A0A087X5D0_POEFO Loading...

ATP-dependent RNA helicase

ATP-dependent RNA helicase that plays a role in the regulation of R-loop homeostasis in both endogenous R-loop-prone regions and at sites of DNA damage. At endogenous loci such as actively transcribed genes, may act as a helicase to resolve the formation of R-loop during transcription and prevent the interference of R-loop with DNA-replication machinery. Also participates in the removal of DNA-lesion-associated R-loop. Plays an essential role for establishing pluripotency during embryogenesis and for pluripotency maintenance in embryonic stem cells. Mechanistically, prevents the polycomb repressive complex 2 (PRC2) from accessing rDNA loci and protects the active chromatin status in nucleolus. RNA helicase.

AlphaFold DB , UniProt , Accession A0A087X5D0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 625 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
1M49.1Very low63.7Low200 Ų200121.9 Ų121.999%0.98560%0.599SS**  0-74.30-71.8-58.2-120.300112.8D3 L4M1-D3 PolarHBondContact O-N 3.24Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 2.66Å; M1-L4 VanDerWaalsContact O-N 3.08Å
2A48.4Very low64.8Low68 Ų68124.9 Ų124.956%0.56261%0.606SS**Hα-helixtrans-52.8-45.2-167.200000116.3L4 Q5 M6A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.44Å; A2-Q5 WeakPolarHBondContact O-CB 3.26Å; A2-Q5 PolarHBondContact O-N 3.08Å; A2-Q5 VanDerWaalsContact O-N 3.1Å; A2-M6 PolarHBondContact O-N 3.45Å
3D53Low65.8Low98 Ų98122.7 Ų122.752%0.52460%0.597SS.*Hα-helixtrans-60.8-34.2179.8172.959.6000113.2M1 M6 K7M1-D3 PolarHBondContact O-N 3.24Å; D3-M6 PolarHBondContact O-N 3.33Å; D3-K7 WeakPolarHBondContact O-CB 3.41Å; D3-K7 WeakPolarHBondContact O-CG 3.23Å; D3-K7 PolarHBondContact O-N 3.33Å; D3-K7 VanDerWaalsContact OD1-CE 3.23Å; D3-K7 WeakPolarHBondContact OD1-CE 3.38Å; D3-K7 IonicContact OD1-NZ 3.44Å; D3-K7 PolarHBondContact OD1-NZ 2.97Å; D3-K7 VanDerWaalsContact OD2-CE 3.26Å; D3-K7 WeakPolarHBondContact OD2-CE 3.37Å; D3-K7 IonicContact OD2-NZ 2.66Å; D3-K7 PolarHBondContact OD2-NZ 2.95Å
4L63Low66.7Low117 Ų117122.9 Ų122.961%0.61360%0.597SS**Hα-helixtrans-66.2-39.9175.7-161.377.2000111.3M1 A2 K7 L8M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 2.66Å; M1-L4 VanDerWaalsContact O-N 3.08Å; A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.44Å; L4-K7 PolarHBondContact O-N 3.1Å; L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 WeakPolarHBondContact O-CG 3.46Å; L4-L8 PolarHBondContact O-N 3.33Å
5Q61.3Low67.7Low133 Ų133124.5 Ų124.562%0.62160%0.599SS**Hα-helixtrans-66.2-40.7175-69.7173.6-43.500111.4A2 L8 L9A2-Q5 WeakPolarHBondContact O-CB 3.26Å; A2-Q5 PolarHBondContact O-N 3.08Å; A2-Q5 VanDerWaalsContact O-N 3.1Å; Q5-L8 PolarHBondContact O-N 3.29Å; Q5-L9 WeakPolarHBondContact O-CB 3.33Å; Q5-L9 PolarHBondContact O-N 2.91Å
6M62.7Low68.1Low94 Ų94128.7 Ų128.746%0.46361%0.607SS.*Hα-helixtrans-64.7-40.4174.9-86.8-70.2-87.600112.8A2 D3 L9 R10A2-M6 PolarHBondContact O-N 3.45Å; D3-M6 PolarHBondContact O-N 3.33Å; M6-L9 PolarHBondContact O-N 2.98Å; M6-L9 HydrophobicContact SD-CD2 4.28Å; M6-R10 WeakPolarHBondContact O-CG 3.45Å; M6-R10 PolarHBondContact O-N 2.84Å
7K68.8Low68.6Low122 Ų122126.2 Ų126.253%0.5360%0.602SS.*Hα-helixtrans-63.3-42.2173.3-75.5166.7177.9166.30111.7D3 L4 K11D3-K7 WeakPolarHBondContact O-CB 3.41Å; D3-K7 WeakPolarHBondContact O-CG 3.23Å; D3-K7 PolarHBondContact O-N 3.33Å; D3-K7 VanDerWaalsContact OD1-CE 3.23Å; D3-K7 WeakPolarHBondContact OD1-CE 3.38Å; D3-K7 IonicContact OD1-NZ 3.44Å; D3-K7 PolarHBondContact OD1-NZ 2.97Å; D3-K7 VanDerWaalsContact OD2-CE 3.26Å; D3-K7 WeakPolarHBondContact OD2-CE 3.37Å; D3-K7 IonicContact OD2-NZ 2.66Å; D3-K7 PolarHBondContact OD2-NZ 2.95Å; L4-K7 PolarHBondContact O-N 3.1Å; K7-K11 WeakPolarHBondContact O-CB 3.47Å; K7-K11 PolarHBondContact O-N 2.96Å
8L72.5Confident69.3Low99 Ų99125.6 Ų125.652%0.51860%0.599SS.*Hα-helixtrans-64.3-39.7173.5-74.8166.7000112.8L4 Q5 K11 K12L4-L8 WeakPolarHBondContact O-CB 3.41Å; L4-L8 WeakPolarHBondContact O-CG 3.46Å; L4-L8 PolarHBondContact O-N 3.33Å; Q5-L8 PolarHBondContact O-N 3.29Å; L8-K11 PolarHBondContact O-N 3.4Å; L8-K12 WeakPolarHBondContact O-CG 3.46Å; L8-K12 PolarHBondContact O-N 3.42Å
9L69.6Low70Confident92 Ų92125.7 Ų125.748%0.48260%0.596SS.*Hα-helixtrans-65.1-48177.8-17268.1000111.2Q5 M6 K11 K12 I13Q5-L9 WeakPolarHBondContact O-CB 3.33Å; Q5-L9 PolarHBondContact O-N 2.91Å; M6-L9 PolarHBondContact O-N 2.98Å; M6-L9 HydrophobicContact SD-CD2 4.28Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 3.19Å; L9-K12 PolarHBondContact O-N 3.05Å; L9-I13 HydrophobicContact CG-CD1 4.14Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 3.08Å
10R75.8Confident70.1Confident169 Ų169123.7 Ų123.764%0.63859%0.59SS**Hα-helixtrans-56.6-46.1174-72177.2-179.6-171.30.7111.3M6 K12 I13 Q14M6-R10 WeakPolarHBondContact O-CG 3.45Å; M6-R10 PolarHBondContact O-N 2.84Å; R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 PolarHBondContact O-N 3.42Å; R10-I13 PolarHBondContact O-N 3.04Å; R10-Q14 WeakPolarHBondContact O-CB 3.41Å; R10-Q14 PolarHBondContact O-N 3.48Å
11K76.9Confident70.6Confident149 Ų149126.9 Ų126.965%0.64860%0.596SS**Hα-helixtrans-65.3-32.8178.7-151.6168.3-169.8174.30113K7 L8 L9 K15K7-K11 WeakPolarHBondContact O-CB 3.47Å; K7-K11 PolarHBondContact O-N 2.96Å; L8-K11 PolarHBondContact O-N 3.4Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 3.19Å; K11-K15 PolarHBondContact O-N 3.35Å
12K76.7Confident72.2Confident158 Ų158122.5 Ų122.569%0.68757%0.573SS**Hα-helixtrans-69.3-42.1170.9-79-179.7176.5-179.50112.6L8 L9 R10 R16L8-K12 WeakPolarHBondContact O-CG 3.46Å; L8-K12 PolarHBondContact O-N 3.42Å; L9-K12 PolarHBondContact O-N 3.05Å; R10-K12 VanDerWaalsContact C-N 3.34Å; R10-K12 PolarHBondContact O-N 3.42Å; K12-R16 WeakPolarHBondContact O-CB 3.34Å; K12-R16 PolarHBondContact O-N 3.05Å
13I77.4Confident73.7Confident96 Ų96127.3 Ų127.349%0.49258%0.576SS.*Hα-helixtrans-62-47.5176.4-68.7164.4000110.1L9 R10 K15 R16 T17L9-I13 HydrophobicContact CG-CD1 4.14Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 3.08Å; R10-I13 PolarHBondContact O-N 3.04Å; I13-K15 PolarHBondContact O-N 3.37Å; I13-R16 WeakPolarHBondContact O-CA 3.49Å; I13-R16 WeakPolarHBondContact O-CB 3.41Å; I13-R16 PolarHBondContact O-N 3.34Å; I13-T17 PolarHBondContact O-N 2.86Å; I13-T17 PolarHBondContact O-OG1 3.2Å
14Q78.9Confident74.7Confident126 Ų126130.4 Ų130.459%0.58959%0.585SS**Hα-helixtrans-60-48.5-177.6-159.8166.810.300112.1R10 R16 T17 E18R10-Q14 WeakPolarHBondContact O-CB 3.41Å; R10-Q14 PolarHBondContact O-N 3.48Å; Q14-R16 VanDerWaalsContact C-N 3.25Å; Q14-R16 PolarHBondContact O-N 2.96Å; Q14-T17 WeakPolarHBondContact CA-OG1 3.25Å; Q14-T17 PolarHBondContact O-N 3.09Å; Q14-T17 PolarHBondContact O-OG1 3.41Å; Q14-E18 WeakPolarHBondContact O-CB 3.48Å; Q14-E18 PolarHBondContact O-N 2.92Å
15K81.1Confident75.4Confident146 Ų146130.4 Ų130.464%0.63558%0.582SS**Hα-helixtrans-60.1-31172.3-77.7-163.3170.4-164.40113.5K11 I13 K19K11-K15 PolarHBondContact O-N 3.35Å; I13-K15 PolarHBondContact O-N 3.37Å; K15-K19 WeakPolarHBondContact O-CB 3.36Å; K15-K19 PolarHBondContact O-N 2.86Å; K15-K19 VanDerWaalsContact O-N 3.1Å
16R74.6Confident76.2Confident192 Ų192131.4 Ų131.473%0.72558%0.584SS**Hα-helixtrans-75.4-36.4178-166.1176.8-174.2177.51.7112.1K12 I13 Q14 N20K12-R16 WeakPolarHBondContact O-CB 3.34Å; K12-R16 PolarHBondContact O-N 3.05Å; I13-R16 WeakPolarHBondContact O-CA 3.49Å; I13-R16 WeakPolarHBondContact O-CB 3.41Å; I13-R16 PolarHBondContact O-N 3.34Å; Q14-R16 VanDerWaalsContact C-N 3.25Å; Q14-R16 PolarHBondContact O-N 2.96Å; R16-N20 WeakPolarHBondContact O-CB 3.47Å; R16-N20 PolarHBondContact O-N 2.77Å
17T75.8Confident76.6Confident86 Ų86134.8 Ų134.853%0.52859%0.592SS.*Hα-helixtrans-68-39.4172.140.40000112.2I13 Q14 N20 R21I13-T17 PolarHBondContact O-N 2.86Å; I13-T17 PolarHBondContact O-OG1 3.2Å; Q14-T17 WeakPolarHBondContact CA-OG1 3.25Å; Q14-T17 PolarHBondContact O-N 3.09Å; Q14-T17 PolarHBondContact O-OG1 3.41Å; T17-N20 PolarHBondContact O-N 2.92Å; T17-R21 PolarHBondContact O-N 2.86Å
18E82Confident76.7Confident115 Ų115137 Ų13754%0.53760%0.597SS.*Hα-helixtrans-63.3-52.9178.6-165.5160.2-116.900111.3Q14 N20 R21 E22Q14-E18 WeakPolarHBondContact O-CB 3.48Å; Q14-E18 PolarHBondContact O-N 2.92Å; E18-N20 PolarHBondContact O-N 3.17Å; E18-N20 VanDerWaalsContact O-N 3.17Å; E18-R21 WeakPolarHBondContact O-CA 3.44Å; E18-R21 WeakPolarHBondContact O-CB 3.41Å; E18-R21 PolarHBondContact O-N 2.62Å; E18-E22 PolarHBondContact O-N 3.2Å
19K82.6Confident76.6Confident128 Ų128137.3 Ų137.356%0.55760%0.596SS**Hα-helixtrans-61.7-25175.4-167.7165.1-172.8166.30114.2K15 E22 R23K15-K19 WeakPolarHBondContact O-CB 3.36Å; K15-K19 PolarHBondContact O-N 2.86Å; K15-K19 VanDerWaalsContact O-N 3.1Å; K19-E22 WeakPolarHBondContact CA-OE2 3.33Å; K19-R23 WeakPolarHBondContact O-CB 3.47Å; K19-R23 VanDerWaalsContact O-CG 3.3Å; K19-R23 WeakPolarHBondContact O-CG 3.5Å; K19-R23 PolarHBondContact O-N 3.23Å
20N71.5Confident76.4Confident86 Ų86135.5 Ų135.546%0.4659%0.591SS.*Hα-helixtrans-78.8-30.2171.7-82.5-7.5000112.8R16 T17 E18 K24R16-N20 WeakPolarHBondContact O-CB 3.47Å; R16-N20 PolarHBondContact O-N 2.77Å; T17-N20 PolarHBondContact O-N 2.92Å; E18-N20 PolarHBondContact O-N 3.17Å; E18-N20 VanDerWaalsContact O-N 3.17Å; N20-K24 PolarHBondContact O-N 3.28Å; N20-K24 VanDerWaalsContact O-N 3.16Å
21R80.7Confident76Confident191 Ų191131.6 Ų131.672%0.72158%0.58SS**Hα-helixtrans-69.1-48173.9-173.6175175.9166.4-2110.4T17 E18 R23 K24 Q25T17-R21 PolarHBondContact O-N 2.86Å; E18-R21 WeakPolarHBondContact O-CA 3.44Å; E18-R21 WeakPolarHBondContact O-CB 3.41Å; E18-R21 PolarHBondContact O-N 2.62Å; R21-R23 VanDerWaalsContact C-N 3.31Å; R21-R23 PolarHBondContact O-N 3.22Å; R21-K24 PolarHBondContact O-N 3.34Å; R21-K24 VanDerWaalsContact O-N 3.14Å; R21-Q25 WeakPolarHBondContact O-CB 3.26Å; R21-Q25 PolarHBondContact O-N 2.96Å
22E83.4Confident75.4Confident107 Ų107130.7 Ų130.750%0.558%0.578SS.*Hα-helixtrans-52.3-47.6172.1-65.7174.6154.800112E18 K19 K24 Q25 K26E18-E22 PolarHBondContact O-N 3.2Å; K19-E22 WeakPolarHBondContact CA-OE2 3.33Å; E22-K24 PolarHBondContact O-N 3.12Å; E22-Q25 PolarHBondContact O-N 3.2Å; E22-Q25 VanDerWaalsContact O-N 3.13Å; E22-K26 PolarHBondContact O-N 3.2Å
23R78.9Confident74.7Confident169 Ų169130 Ų13064%0.63858%0.577SS**Hα-helixtrans-63.6-35.5179.1-80.5175.3162.3-163.9-8.4113.6K19 R21 R27K19-R23 WeakPolarHBondContact O-CB 3.47Å; K19-R23 VanDerWaalsContact O-CG 3.3Å; K19-R23 WeakPolarHBondContact O-CG 3.5Å; K19-R23 PolarHBondContact O-N 3.23Å; R21-R23 VanDerWaalsContact C-N 3.31Å; R21-R23 PolarHBondContact O-N 3.22Å; R23-R27 PolarHBondContact O-N 2.85Å
24K75.5Confident73.7Confident164 Ų164132.6 Ų132.671%0.71359%0.587SS**Hα-helixtrans-69.6-36.9171.7-82-170.5171-171.60112N20 R21 E22 R27 R28N20-K24 PolarHBondContact O-N 3.28Å; N20-K24 VanDerWaalsContact O-N 3.16Å; R21-K24 PolarHBondContact O-N 3.34Å; R21-K24 VanDerWaalsContact O-N 3.14Å; E22-K24 PolarHBondContact O-N 3.12Å; K24-R27 PolarHBondContact O-N 3.3Å; K24-R28 PolarHBondContact O-N 3.45Å; K24-R28 VanDerWaalsContact O-N 3.11Å
25Q76.9Confident72.4Confident116 Ų116129.8 Ų129.854%0.54259%0.586SS.*Hα-helixtrans-70-44.8-178-157.6159.8-13.200111.2R21 E22 R27 R28 Q29R21-Q25 WeakPolarHBondContact O-CB 3.26Å; R21-Q25 PolarHBondContact O-N 2.96Å; E22-Q25 PolarHBondContact O-N 3.2Å; E22-Q25 VanDerWaalsContact O-N 3.13Å; Q25-R27 VanDerWaalsContact C-N 3.34Å; Q25-R27 PolarHBondContact O-N 3.3Å; Q25-R28 PolarHBondContact O-N 3.02Å; Q25-Q29 WeakPolarHBondContact O-CG 3.42Å; Q25-Q29 PolarHBondContact O-N 2.74Å; Q25-Q29 VanDerWaalsContact O-N 3.08Å
26K78.5Confident70.7Confident154 Ų154125.7 Ų125.767%0.6759%0.585SS**Hα-helixtrans-61.8-36.9172.5-70.9-163173.1-161.60113.5E22 Q29 S30E22-K26 PolarHBondContact O-N 3.2Å; K26-Q29 PolarHBondContact O-N 3Å; K26-S30 PolarHBondContact O-N 3.07Å; K26-S30 PolarHBondContact O-OG 3.28Å
27R70.4Confident69.3Low165 Ų165127.4 Ų127.462%0.62359%0.591SS**Hα-helixtrans-64.5-39.8174.4-91.4-166.362.1158.90.9113.1R23 K24 Q25 S30 E31R23-R27 PolarHBondContact O-N 2.85Å; K24-R27 PolarHBondContact O-N 3.3Å; Q25-R27 VanDerWaalsContact C-N 3.34Å; Q25-R27 PolarHBondContact O-N 3.3Å; R27-S30 WeakPolarHBondContact CA-OG 3.4Å; R27-S30 PolarHBondContact O-N 3.07Å; R27-S30 PolarHBondContact O-OG 2.9Å; R27-E31 IonicContact CZ-OE1 2.71Å; R27-E31 VanDerWaalsContact CZ-OE1 3.23Å; R27-E31 IonicContact NE-OE1 3.61Å; R27-E31 PolarHBondContact NE-OE1 3.32Å; R27-E31 IonicContact NH2-OE1 3.19Å; R27-E31 PolarHBondContact NH2-OE1 2.99Å; R27-E31 VanDerWaalsContact O-CB 3.29Å; R27-E31 WeakPolarHBondContact O-CB 3.5Å; R27-E31 VanDerWaalsContact O-CD 3.23Å; R27-E31 WeakPolarHBondContact O-CG 3.5Å; R27-E31 PolarHBondContact O-N 3.1Å
28R70.3Confident67.9Low170 Ų170128.2 Ų128.264%0.64260%0.6SS**Hα-helixtrans-63.2-43.4173.8-79.2-175.1166.3-168-8.8111.9K24 Q25 S30 E31 E32K24-R28 PolarHBondContact O-N 3.45Å; K24-R28 VanDerWaalsContact O-N 3.11Å; Q25-R28 PolarHBondContact O-N 3.02Å; R28-S30 PolarHBondContact O-N 2.92Å; R28-E31 CarbonylContact O-C 3.58Å; R28-E31 PolarHBondContact O-N 3.09Å; R28-E31 VanDerWaalsContact O-N 3.16Å; R28-E32 WeakPolarHBondContact O-CB 3.5Å; R28-E32 VanDerWaalsContact O-CG 3.29Å; R28-E32 WeakPolarHBondContact O-CG 3.28Å; R28-E32 PolarHBondContact O-N 3.15Å
29Q70.1Confident65.9Low105 Ų105128 Ų12849%0.49161%0.611SS.*Hα-helixtrans-60.5-42.4176.9-68177.2-66.800112Q25 K26 E32 E33Q25-Q29 WeakPolarHBondContact O-CG 3.42Å; Q25-Q29 PolarHBondContact O-N 2.74Å; Q25-Q29 VanDerWaalsContact O-N 3.08Å; K26-Q29 PolarHBondContact O-N 3Å; Q29-E32 PolarHBondContact O-N 2.88Å; Q29-E33 WeakPolarHBondContact O-CB 3.33Å; Q29-E33 WeakPolarHBondContact O-CG 3.09Å; Q29-E33 PolarHBondContact O-N 3.36Å
30S66.1Low63.4Low53 Ų53125.2 Ų125.237%0.37162%0.62SS.*Hα-helixtrans-68-37173.655.30000113.6K26 R27 R28 E32 E33 E34K26-S30 PolarHBondContact O-N 3.07Å; K26-S30 PolarHBondContact O-OG 3.28Å; R27-S30 WeakPolarHBondContact CA-OG 3.4Å; R27-S30 PolarHBondContact O-N 3.07Å; R27-S30 PolarHBondContact O-OG 2.9Å; R28-S30 PolarHBondContact O-N 2.92Å; S30-E32 VanDerWaalsContact C-N 3.29Å; S30-E32 PolarHBondContact O-N 3.27Å; S30-E33 PolarHBondContact O-N 3.17Å; S30-E34 PolarHBondContact O-N 3.47Å
31E66.7Low62Low88 Ų88127.7 Ų127.741%0.41164%0.64SS.*Hα-helixtrans-69.1-27.3176.8-71.4158.4-166.400111.4R27 R28R27-E31 IonicContact CZ-OE1 2.71Å; R27-E31 VanDerWaalsContact CZ-OE1 3.23Å; R27-E31 IonicContact NE-OE1 3.61Å; R27-E31 PolarHBondContact NE-OE1 3.32Å; R27-E31 IonicContact NH2-OE1 3.19Å; R27-E31 PolarHBondContact NH2-OE1 2.99Å; R27-E31 VanDerWaalsContact O-CB 3.29Å; R27-E31 WeakPolarHBondContact O-CB 3.5Å; R27-E31 VanDerWaalsContact O-CD 3.23Å; R27-E31 WeakPolarHBondContact O-CG 3.5Å; R27-E31 PolarHBondContact O-N 3.1Å; R28-E31 CarbonylContact O-C 3.58Å; R28-E31 PolarHBondContact O-N 3.09Å; R28-E31 VanDerWaalsContact O-N 3.16Å
32E64.9Low59.8Low129 Ų129127.5 Ų127.560%0.60365%0.648SS**Hα-helixtrans-81.7-36.8173-72.7160.8-175.900112.2R28 Q29 S30 A35 G36R28-E32 WeakPolarHBondContact O-CB 3.5Å; R28-E32 VanDerWaalsContact O-CG 3.29Å; R28-E32 WeakPolarHBondContact O-CG 3.28Å; R28-E32 PolarHBondContact O-N 3.15Å; Q29-E32 PolarHBondContact O-N 2.88Å; S30-E32 VanDerWaalsContact C-N 3.29Å; S30-E32 PolarHBondContact O-N 3.27Å; E32-A35 PolarHBondContact O-N 2.92Å; E32-G36 PolarHBondContact O-N 3.36Å
33E61.4Low57.2Low144 Ų144131.7 Ų131.767%0.67367%0.667SS**Hα-helixtrans-68.6-33.5174.9-78.1176.2169.900113.4Q29 S30Q29-E33 WeakPolarHBondContact O-CB 3.33Å; Q29-E33 WeakPolarHBondContact O-CG 3.09Å; Q29-E33 PolarHBondContact O-N 3.36Å; S30-E33 PolarHBondContact O-N 3.17Å
34E56.9Low55Low151 Ų151132.1 Ų132.171%0.70668%0.676SS**Hα-helixtrans-67.9-44.2170.4-80.6-173.2131.400111.4S30 G36 R37S30-E34 PolarHBondContact O-N 3.47Å; E34-G36 VanDerWaalsContact C-N 3.3Å; E34-G36 PolarHBondContact O-N 3.25Å; E34-R37 PolarHBondContact O-N 3.49Å
35A52.1Low52.6Low67 Ų67127.3 Ų127.355%0.55467%0.673SS**Hα-helixtrans-64.6-32.4178.900000113E32 R37E32-A35 PolarHBondContact O-N 2.92Å; A35-R37 PolarHBondContact O-N 2.97Å
36G44.4Very low50.2Low60 Ų60132.5 Ų132.562%0.61969%0.688SS**THydrogen-bonded Turntrans-71.2-3.3178.700000115.7E32 E34E32-G36 PolarHBondContact O-N 3.36Å; E34-G36 VanDerWaalsContact C-N 3.3Å; E34-G36 PolarHBondContact O-N 3.25Å
37R46.9Very low47.7Very low227 Ų227133.8 Ų133.886%0.85770%0.696SS**THydrogen-bonded Turntrans-102.7-3.1-178.1-73.9-176.3173.2-168.9-1.6115.2E34 A35E34-R37 PolarHBondContact O-N 3.49Å; A35-R37 PolarHBondContact O-N 2.97Å
38S45.6Very low45.7Very low103 Ų103134.7 Ų134.772%0.7271%0.708SS**SBendtrans-114.753.3-176.366.60000113.4
39S39.9Very low44.9Very low110 Ų110131.9 Ų131.977%0.76971%0.711SS**  trans-151103.5171.960.40000112.5
40G31Very low42.7Very low71 Ų71131.2 Ų131.273%0.73272%0.724SS**  trans-151.9149.9169.600000108.7
41P40.4Very low41Very low138 Ų138133.4 Ų133.490%0.89675%0.746SS**  trans-85.4165.5-157.433.3-37.3000116.1
42E35.7Very low39.2Very low187 Ų187134.2 Ų134.287%0.87477%0.767SS**  trans-104.2143.7178.4-56.5174.513400111.8
43E29.4Very low37.5Very low194 Ų194131.4 Ų131.491%0.90777%0.772SS**  trans176.3133.1160.6-106.7165-16300108.8
44E31.2Very low36.5Very low178 Ų178130.1 Ų130.183%0.83278%0.777SS**  cis-104.3-133.4-22.1-60.8-171.261.900109.1
45G26.2Very low35.1Very low63 Ų63129.3 Ų129.365%0.64978%0.782SS**  cis177.7139.6-4.200000115.4
46W25.5Very low34Very low226 Ų226134.8 Ų134.886%0.85680%0.796SS**  trans38.1136159.6-65.985.7000124.4
47E25.7Very low33.5Very low180 Ų180138.1 Ų138.184%0.84181%0.807SS**  trans83.9154.4152.2-72.1-179.3-178.600123.1
48E28.6Very low32.6Very low184 Ų184135.9 Ų135.986%0.8681%0.807SS**  trans-113.7178.6-167-78.8-165.9148.600111
49P53.2Low31.7Very low111 Ų111140.4 Ų140.472%0.72182%0.816SS**  cis-134.8-173-42.436.5-19.2000113.2
50A25.3Very low31.1Very low91 Ų91140.9 Ų140.975%0.75281%0.81SS**  trans108129.914100000121.9
51A30.9Very low30.9Very low100 Ų100146.4 Ų146.483%0.82682%0.817SS**  trans73.8157141.600000122.1
52A27.4Very low30.2Very low105 Ų105147.9 Ų147.987%0.86881%0.812SS**  trans69.1147.3172.600000118.5
53G30.3Very low29.7Very low69 Ų69146.6 Ų146.671%0.71181%0.811SS**  trans-131.3178.5156.800000108.2
54P39Very low30.1Very low117 Ų117143.4 Ų143.476%0.7681%0.807SS**  trans-147.8147.4152.340.8-25.3000117.1
55T28.4Very low29.9Very low135 Ų135139.5 Ų139.583%0.82881%0.805SS**  trans52.7145.2133.5630000125
56E28.6Very low29.9Very low181 Ų181144.9 Ų144.985%0.84681%0.813SS**PPolyproline II helixtrans-78.3168.1160-58.6171.6129.100112.3
57P33.9Very low29.9Very low130 Ų130143 Ų14384%0.84481%0.814SS**PPolyproline II helixtrans-92.4145.2172.535.3-33.1000114
58E27.7Very low29.9Very low181 Ų181142.8 Ų142.885%0.84681%0.813SS**PPolyproline II helixtrans-88.7162.1173.7-56.7-178123.300113.5
59Q27.4Very low29.7Very low198 Ų198142.7 Ų142.793%0.92581%0.813SS**  trans-158.186.6133.8-115172.626.800114.6
60N26.4Very low28.3Very low120 Ų120141.3 Ų141.364%0.64281%0.81SS**  30.2124.6129.5-172.519.9000121.5
61Q27.4Very low28.3Very low186 Ų186146.4 Ų146.487%0.86982%0.819SS**  trans-156.5173130.8-112.3170.34200111.9
62Q26.3Very low28Very low170 Ų170149.4 Ų149.479%0.79482%0.816SS**  trans-113.8162.7-141.4-65.1164.1-76.400118.1
63N24.3Very low27.8Very low160 Ų160150.7 Ų150.786%0.85681%0.813SS**  trans-56.7177.6165.7-89.82.8000114.8
64P39.5Very low27.5Very low127 Ų127151.4 Ų151.483%0.82581%0.807SS**  cis-130.7-159.413.733.1-9.4000115.5
65A26.1Very low26.8Very low95 Ų95153.7 Ų153.779%0.78581%0.812SS**  trans-140.6166.7-172.400000113.2
66E25.5Very low26.6Very low176 Ų176155.5 Ų155.582%0.82281%0.808SS**  trans-160.8125.6160.1-99.1151.5-152.400105.7
67E26Very low26.3Very low186 Ų186155.6 Ų155.687%0.86981%0.806SS**  63.9131.791.5-61.2-167.9162.800113.3
68E24.9Very low25.8Very low177 Ų177158.8 Ų158.883%0.82781%0.81SS**  cis-144179.136.2-70.4-178.6124.300115.9
69E24.7Very low25.6Very low182 Ų182158.5 Ų158.585%0.8581%0.806SS**  trans5.7164.9148.9-63-156.4153.800124.2
70A24.7Very low25.4Very low81 Ų81158 Ų15867%0.66980%0.8SS**  cis-175.5155.1-2900000109.8
71E24.4Very low25.2Very low199 Ų199161.5 Ų161.593%0.9381%0.81SS**  trans-177.8159.5133-108.8-165.6159.800112.6
72E24.5Very low25Very low163 Ų163163 Ų16376%0.76281%0.814SS**  trans-100.8158-177.7-62.5-167.889.600113.7
73T24.3Very low24.9Very low132 Ų132164 Ų16481%0.8182%0.815SS**  -166.4114111.718.40000114.1
74S24.1Very low24.9Very low84 Ų84166.1 Ų166.159%0.58781%0.811SS**  -0.8151.5129.637.40000119.2
75L24.1Very low24.3Very low165 Ų165168.8 Ų168.886%0.86481%0.81SS**  cis-157.1-173.813-124.5166.4000113.2
76K23Very low24.2Very low172 Ų172171 Ų17175%0.74881%0.808SS**  trans-130160.9-167.2-60.4169174159.90113.6
77K22.8Very low24.2Very low183 Ų183167.4 Ų167.480%0.79681%0.808SS**  trans78139.6157-55.5148.3179.8169.20118.3
78Q23Very low24.1Very low198 Ų198162.4 Ų162.493%0.92581%0.806SS**  -154.1-176.2108.2-106.2-166.250.700112.5
79K23.6Very low24.1Very low175 Ų175157.4 Ų157.476%0.76180%0.803SS**  trans-136.3146.8-158.8-69.2172.7175.6168.60114.8
80K23Very low24.1Very low186 Ų186154.3 Ų154.381%0.80981%0.808SS**  trans62.1134.5140.9-80.5-178.7173.7175.80121.9
81K23.4Very low24.1Very low195 Ų195153.6 Ų153.685%0.84881%0.809SS**  trans68121.1141.4-73.6-176.4171.5-173.80120.5
82K22.7Very low24.2Very low218 Ų218150.6 Ų150.695%0.94880%0.804SS**  -150.2173.2120.4-124.5172.2-177.1176.20111.1
83K24.7Very low24.3Very low189 Ų189148 Ų14882%0.82280%0.803SS**  trans-155.9140.4-169.9-150.3-165.7-178.3178.40112.2
84R24.9Very low24.5Very low206 Ų206146.1 Ų146.178%0.77780%0.801SS**  trans70.5134.9165.1-54.8176.972.1-174.64.6120.1
85K25.2Very low24.6Very low182 Ų182150.3 Ų150.379%0.79181%0.812SS**  trans123.9149.9139.7-75.3-156.1173.4-173.20114.3
86L25.3Very low24.7Very low142 Ų142150.4 Ų150.474%0.74381%0.805SS**  cis-175.5153-36.3-134.8158.9000109
87A25.6Very low24.6Very low100 Ų100151.6 Ų151.683%0.82681%0.81SS**  trans66.8154.9174.600000115.6
88G23.9Very low24.8Very low81 Ų81149.6 Ų149.684%0.83581%0.807SS**  cis-174.8175.1-5.600000108.2
89G23.6Very low24.9Very low73 Ų73151.1 Ų151.175%0.75380%0.804SS**  cis176.3-174.7-0.100000110.4
90A25.6Very low24.9Very low116 Ų116148 Ų14896%0.95980%0.799SS**  trans69.5149.3-178.900000117.4
91G24.5Very low25Very low67 Ų67146.4 Ų146.469%0.69180%0.795SS**  cis154.8162.3-10.800000114.3
92V26.2Very low25.1Very low136 Ų136145.8 Ų145.882%0.82480%0.795SS**  trans78.6119.6176.1-177.10000114.2
93S25.8Very low25.3Very low108 Ų108144.4 Ų144.476%0.75579%0.792SS**  cis81.6149.424.687.50000115.4
94A29.5Very low25.3Very low92 Ų92143.6 Ų143.676%0.7680%0.797SS**  cis-143.6-159.22.700000107.8
95E25.4Very low25.4Very low173 Ų173137.1 Ų137.181%0.80879%0.794SS**  cis-148.3-117.85-163.3-169.3-111.900111.1
96K26.3Very low25.4Very low166 Ų166132 Ų13272%0.72279%0.794SS**  trans-169.6159.8-172.8-143.2-178.5-172.1-175.70110.4
97K22.3Very low25.8Very low198 Ų198135 Ų13586%0.86180%0.804SS**  trans-159.6164.5154-115.6161.9-169.6171.30112.9
98I26.2Very low25.9Very low141 Ų141138 Ų13872%0.72380%0.804SS**  trans-146.1139.7-164.9-61.4168.9000109.5
99R24.9Very low26.2Very low230 Ų230141.3 Ų141.387%0.86880%0.802SS**  trans153146.2161.5-94.1164.5-176.5-155.1-1.2109.7
100T23.8Very low26.3Very low108 Ų108145.9 Ų145.966%0.66381%0.81SS**  cis-157.4-164.5-12.72.20000109.2
101E25.2Very low26.4Very low153 Ų153149.3 Ų149.372%0.71581%0.806SS**  trans-43.5164.6173.5-55.991-159.700115.8
102E24.7Very low26.6Very low183 Ų183150.4 Ų150.486%0.85581%0.808SS**  cis-154.6-15615.4-142.7151.2-13900113.1
103E27.2Very low26.7Very low189 Ų189150.6 Ų150.688%0.88381%0.81SS**  trans-76.7147.6-168.3-54.9176.7141.700116.9
104D25.5Very low26.8Very low171 Ų171154 Ų15491%0.91481%0.814SS**  -163.9166.7117.9-155.2-6.8000110
105G27.7Very low26.8Very low71 Ų71159 Ų15973%0.73282%0.821SS**  trans-103.3164.4-170.600000116.9
106G24.1Very low26.9Very low75 Ų75160 Ų16077%0.77383%0.826SS**  trans178.6135.5172.400000112.9
107E34.1Very low27.1Very low204 Ų204160.6 Ų160.695%0.95383%0.831SS**  trans-80.4133.2-179.3-59.1173.5133.100111.5
108I28.2Very low27.6Very low162 Ų162157.1 Ų157.183%0.83183%0.829SS**  trans-139.4140.9168.5-59.2-176.9000108.7
109N28.7Very low27.8Very low151 Ų151158.8 Ų158.881%0.80783%0.834SS**  trans-74.3135177.2-63.4-44000111.7E111N109-E111 PolarHBondContact O-N 3.38Å
110D26.9Very low28.2Very low169 Ų169155 Ų15590%0.90483%0.83SS**  trans-77.498.3165.8-80.8-44.2000110.5A112D110-A112 PolarHBondContact O-N 2.93Å
111E28.2Very low28.6Very low188 Ų188155.6 Ų155.688%0.87984%0.836SS**  trans-75.596.1161.5-72.6-171.1157.900109.4N109 V113N109-E111 PolarHBondContact O-N 3.38Å; E111-V113 PolarHBondContact O-N 3Å
112A28.5Very low29.2Very low90 Ų90154.2 Ų154.274%0.74484%0.838SS**PPolyproline II helixtrans-74.4119.6174.400000110.8D110 E114D110-A112 PolarHBondContact O-N 2.93Å; A112-E114 PolarHBondContact O-N 3.34Å
113V27.3Very low29.6Very low141 Ų141147.9 Ų147.986%0.85582%0.821SS**PPolyproline II helixtrans-70.8116.2174.8179.70000109.6E111E111-V113 PolarHBondContact O-N 3Å
114E28.1Very low30.3Very low180 Ų180147.2 Ų147.284%0.84182%0.823SS**PPolyproline II helixtrans-79.4137169.5-63-166.6136.500110.6A112 E116A112-E114 PolarHBondContact O-N 3.34Å; E114-E116 PolarHBondContact O-N 3.23Å
115E28.9Very low31.1Very low195 Ų195143.6 Ų143.691%0.91181%0.807SS**  trans-82108.1173.4-65.9-173.7137.300109.4E117E115-E117 PolarHBondContact O-N 3.17Å; E115-E117 VanDerWaalsContact O-N 3.13Å
116E27.2Very low31.6Very low194 Ų194142.9 Ų142.991%0.90780%0.8SS**  trans-63.1109.7177-67.9-174.8141.800111.7E114E114-E116 PolarHBondContact O-N 3.23Å
117E32.3Very low32.2Very low179 Ų179144.2 Ų144.284%0.83680%0.803SS**  trans-72.2138.4159.1-72.9-159.7150.500109.5E115 E119E115-E117 PolarHBondContact O-N 3.17Å; E115-E117 VanDerWaalsContact O-N 3.13Å; E117-E119 PolarHBondContact O-N 2.82Å
118P32.1Very low32.6Very low125 Ų125144.4 Ų144.481%0.81280%0.801SS**  trans-75.9100.6-171.729.3-35.2000112.3
119E29.8Very low34.1Very low177 Ų177139.9 Ų139.983%0.82778%0.777SS**  trans-62.2135.9172.4-65.9-157.2144.700112.1E117E117-E119 PolarHBondContact O-N 2.82Å
120L32.8Very low36.3Very low149 Ų149136.5 Ų136.578%0.7876%0.759SS**  trans-85.5142.7170.7-77.3166.3000109.9T122L120-T122 PolarHBondContact O-N 3.34Å; L120-T122 VanDerWaalsContact O-N 3.11Å
121P33.3Very low39Very low122 Ų122131.5 Ų131.579%0.79274%0.735SS**  trans-62.5114.9-164.422.9-34.3000113.1G123P121-G123 PolarHBondContact O-N 3.43Å; P121-G123 VanDerWaalsContact O-N 3.14Å
122T36.9Very low41.8Very low124 Ų124123.5 Ų123.576%0.76170%0.699SS**  trans-65.8105.8171.834.60000110.1L120 L124L120-T122 PolarHBondContact O-N 3.34Å; L120-T122 VanDerWaalsContact O-N 3.11Å; T122-L124 PolarHBondContact O-N 3.24Å
123G34.3Very low44.6Very low49 Ų49119.8 Ų119.851%0.50567%0.666SS.*  trans-65.8132.1-176.400000112.9P121 T125P121-G123 PolarHBondContact O-N 3.43Å; P121-G123 VanDerWaalsContact O-N 3.14Å; G123-T125 PolarHBondContact O-N 3.36Å
124L42Very low47.3Very low175 Ų175116.2 Ų116.292%0.91665%0.651SS**  trans-54.1118.9178.5-79.469.3000112.1T122T122-L124 PolarHBondContact O-N 3.24Å
125T42.7Very low50.2Low96 Ų96108.9 Ų108.959%0.58962%0.62SS**  trans-139.1121.2149.337.30000108.1G123 E129G123-T125 PolarHBondContact O-N 3.36Å; T125-E129 WeakPolarHBondContact CG2-OE2 3.48Å
126G36.6Very low52.9Low56 Ų5699.6 Ų99.658%0.57758%0.577SS**  trans-87.9161.7-173.600000113.4F128G126-F128 PolarHBondContact O-N 3.22Å
127A36.5Very low55.6Low102 Ų10294.7 Ų94.784%0.84356%0.56SS**THydrogen-bonded Turntrans-72.933-174.600000115.7
128F42.3Very low58Low208 Ų20889.7 Ų89.791%0.91256%0.557SS**THydrogen-bonded Turntrans-137.813.5-174.6-72.1-75.7000114.2G126G126-F128 PolarHBondContact O-N 3.22Å
129E61.7Low60.5Low67 Ų6787.8 Ų87.831%0.31354%0.539SS..  trans-82.2137.7176.1-61.7-162.9118.200112.1T125 T131 H161 R165T125-E129 WeakPolarHBondContact CG2-OE2 3.48Å; E129-T131 PolarHBondContact O-N 2.93Å; E129-H161 WeakPolarHBondContact CB-NE2 3.39Å; E129-H161 IonicContact OE2-CE1 3.76Å; E129-H161 PolarHBondContact OE2-CE1 3.11Å; E129-H161 VanDerWaalsContact OE2-CE1 3.25Å; E129-H161 IonicContact OE2-NE2 3.69Å; E129-R165 IonicContact OE1-CZ 2.77Å; E129-R165 IonicContact OE1-NH1 3.09Å; E129-R165 PolarHBondContact OE1-NH1 3.14Å; E129-R165 IonicContact OE2-NH1 2.73Å
130D74.6Confident63.2Low81 Ų8179.5 Ų79.543%0.43350%0.501SS..  trans-66.9120177.6174.825000111.7S132 S135D130-S132 VanDerWaalsContact C-N 3.32Å; D130-S132 VanDerWaalsContact CG-OG 3.31Å; D130-S132 VanDerWaalsContact OD1-CB 3.26Å; D130-S132 WeakPolarHBondContact OD1-CB 3.47Å; D130-S132 PolarHBondContact OD1-N 2.75Å; D130-S132 PolarHBondContact OD1-OG 3.48Å; D130-S132 WeakPolarHBondContact OD2-CB 3.27Å; D130-S132 PolarHBondContact OD2-OG 2.99Å; D130-S135 WeakPolarHBondContact O-CB 3.46Å; D130-S135 PolarHBondContact O-OG 2.99Å; D130-S135 WeakPolarHBondContact OD2-CB 3.21Å
131T82.7Confident65.8Low64 Ų6473.1 Ų73.139%0.39347%0.471SS..  trans-81.6-5.9178.961.50000113.6E129 M156E129-T131 PolarHBondContact O-N 2.93Å; T131-M156 WeakPolarHBondContact O-CB 3.3Å; T131-M156 PolarHBondContact O-N 3.22Å
132S87.1Confident68.4Low19 Ų1972.4 Ų72.413%0.13346%0.46CS..BIsolated β-bridgetrans-62147.5174.987.20000111.5D130 A134 S135 M156D130-S132 VanDerWaalsContact C-N 3.32Å; D130-S132 VanDerWaalsContact CG-OG 3.31Å; D130-S132 VanDerWaalsContact OD1-CB 3.26Å; D130-S132 WeakPolarHBondContact OD1-CB 3.47Å; D130-S132 PolarHBondContact OD1-N 2.75Å; D130-S132 PolarHBondContact OD1-OG 3.48Å; D130-S132 WeakPolarHBondContact OD2-CB 3.27Å; D130-S132 PolarHBondContact OD2-OG 2.99Å; S132-A134 PolarHBondContact O-N 3.1Å; S132-A134 WeakPolarHBondContact OG-CB 3.4Å; S132-A134 PolarHBondContact OG-N 3.01Å; S132-S135 WeakPolarHBondContact O-CB 3.26Å; S132-S135 PolarHBondContact O-N 3.24Å; S132-S135 VanDerWaalsContact O-N 3.12Å; S132-S135 PolarHBondContact O-OG 3.24Å; S132-S135 PolarHBondContact OG-N 3.27Å; S132-M156 WeakPolarHBondContact O-CE 3.41Å
133F87.1Confident70.9Confident12 Ų1269.3 Ų69.35%0.05344%0.437CS..G310 helixtrans-64.6-17.4169.1-82.2-75.7000112.6S135 L136 I148 F153 E154 H155 M156 L185 I189F133-S135 VanDerWaalsContact C-N 3.27Å; F133-S135 PolarHBondContact O-N 3.25Å; F133-L136 HydrophobicContact CD1-CD1 4.07Å; F133-L136 WeakPolarHBondContact O-CB 3.43Å; F133-L136 PolarHBondContact O-N 3.01Å; F133-I148 HydrophobicContact CB-CG2 4.25Å; F133-I148 HydrophobicContact CD1-CD1 3.97Å; F133-I148 HydrophobicContact CD1-CG2 3.92Å; F133-I148 HydrophobicContact CD2-CG2 3.8Å; F133-I148 HydrophobicContact CE1-CD1 4.15Å; F133-I148 HydrophobicContact CE1-CG2 4.17Å; F133-I148 HydrophobicContact CE2-CG2 4.07Å; F133-I148 HydrophobicContact CG-CG2 3.73Å; F133-I148 HydrophobicContact CZ-CG2 4.24Å; F133-F153 HydrophobicContact CD2-CB 4.17Å; F133-F153 HydrophobicContact CE2-CB 3.78Å; F133-E154 PolarHBondContact N-O 2.81Å; F133-H155 VanDerWaalsContact CE2-C 3.5Å; F133-H155 VanDerWaalsContact CE2-O 3.3Å; F133-H155 WeakPolarHBondContact CE2-O 3.47Å; F133-M156 HydrophobicContact CD1-CG 3.67Å; F133-M156 HydrophobicContact CD1-SD 4.42Å; F133-M156 HydrophobicContact CD2-CG 4.17Å; F133-M156 HydrophobicContact CE1-CG 3.47Å; F133-M156 VanDerWaalsContact CE1-CG 3.47Å; F133-M156 HydrophobicContact CE1-SD 4.38Å; F133-M156 HydrophobicContact CE2-CG 3.99Å; F133-M156 HydrophobicContact CG-CG 4.02Å; F133-M156 HydrophobicContact CZ-CB 4.4Å; F133-M156 HydrophobicContact CZ-CG 3.64Å; F133-L185 HydrophobicContact CZ-CD1 4.37Å; F133-I189 HydrophobicContact CE1-CD1 3.77Å
134A85.4Confident73.6Confident66 Ų6667 Ų6755%0.54541%0.413SS..G310 helixtrans-70-21.6173.400000112.7S132 L136 T137S132-A134 PolarHBondContact O-N 3.1Å; S132-A134 WeakPolarHBondContact OG-CB 3.4Å; S132-A134 PolarHBondContact OG-N 3.01Å; A134-L136 PolarHBondContact O-N 3.33Å; A134-L136 VanDerWaalsContact O-N 3.08Å; A134-T137 WeakPolarHBondContact O-CB 3.4Å; A134-T137 PolarHBondContact O-N 2.82Å; A134-T137 PolarHBondContact O-OG1 3.18Å
135S87.1Confident75.9Confident26 Ų2659.9 Ų59.918%0.18238%0.376CS..G310 helixtrans-63.7-11.4172.376.90000114.1D130 S132 F133 M156 R165D130-S135 WeakPolarHBondContact O-CB 3.46Å; D130-S135 PolarHBondContact O-OG 2.99Å; D130-S135 WeakPolarHBondContact OD2-CB 3.21Å; S132-S135 WeakPolarHBondContact O-CB 3.26Å; S132-S135 PolarHBondContact O-N 3.24Å; S132-S135 VanDerWaalsContact O-N 3.12Å; S132-S135 PolarHBondContact O-OG 3.24Å; S132-S135 PolarHBondContact OG-N 3.27Å; F133-S135 VanDerWaalsContact C-N 3.27Å; F133-S135 PolarHBondContact O-N 3.25Å; S135-M156 WeakPolarHBondContact OG-CE 3.45Å; S135-R165 PolarHBondContact OG-NH2 2.9Å
136L86.8Confident78.2Confident0 Ų061.6 Ų61.60%037%0.371CS..G310 helixtrans-91.8-3.3175.5-56.6180000113.5F133 A134 G138 L139 V140 L145 M156 I164 R165F133-L136 HydrophobicContact CD1-CD1 4.07Å; F133-L136 WeakPolarHBondContact O-CB 3.43Å; F133-L136 PolarHBondContact O-N 3.01Å; A134-L136 PolarHBondContact O-N 3.33Å; A134-L136 VanDerWaalsContact O-N 3.08Å; L136-G138 PolarHBondContact O-N 2.81Å; L136-L139 WeakPolarHBondContact O-CB 3.43Å; L136-L139 PolarHBondContact O-N 3.49Å; L136-V140 HydrophobicContact CB-CB 4.36Å; L136-V140 HydrophobicContact CB-CG2 4.05Å; L136-V140 HydrophobicContact CD1-CG2 4.43Å; L136-V140 PolarHBondContact O-N 3.47Å; L136-L145 HydrophobicContact CB-CD2 4.09Å; L136-M156 HydrophobicContact CD1-CE 4.49Å; L136-M156 HydrophobicContact CD1-SD 4.04Å; L136-M156 HydrophobicContact CD2-CE 4.28Å; L136-M156 HydrophobicContact CD2-SD 4.44Å; L136-M156 HydrophobicContact CG-CE 4.2Å; L136-M156 HydrophobicContact CG-SD 4.36Å; L136-I164 HydrophobicContact CD1-CD1 4.46Å; L136-I164 HydrophobicContact CD1-CG2 3.95Å; L136-I164 HydrophobicContact CD2-CG2 3.92Å; L136-R165 HydrophobicContact CD2-CG 4.49Å
137T84.4Confident80.8Confident91 Ų9159 Ų5956%0.55834%0.344SS*.BIsolated β-bridgetrans-57.8128.3177.7-63.80000111A134 L139A134-T137 WeakPolarHBondContact O-CB 3.4Å; A134-T137 PolarHBondContact O-N 2.82Å; A134-T137 PolarHBondContact O-OG1 3.18Å; T137-L139 VanDerWaalsContact C-N 3.26Å; T137-L139 PolarHBondContact O-N 2.69Å
138G81.2Confident83.4Confident74 Ų7454.1 Ų54.176%0.76330%0.304SS*.THydrogen-bonded Turntrans84.4-17.9-175.300000115L136L136-G138 PolarHBondContact O-N 2.81Å
139L84.4Confident85.6Confident85 Ų8552 Ų5245%0.44530%0.295SS..THydrogen-bonded Turntrans-92.5-30.7169.4-63.5176.4000112.2L136 T137 L168 K197L136-L139 WeakPolarHBondContact O-CB 3.43Å; L136-L139 PolarHBondContact O-N 3.49Å; T137-L139 VanDerWaalsContact C-N 3.26Å; T137-L139 PolarHBondContact O-N 2.69Å; L139-L168 HydrophobicContact CB-CD1 4.28Å; L139-K197 PolarHBondContact O-NZ 3.41Å
140V88.4Confident87Confident4 Ų454.5 Ų54.52%0.02431%0.306CS..BIsolated β-bridgetrans-124.8144.7-179.2-1800000109.2L136 I144 L145 L168 I189L136-V140 HydrophobicContact CB-CB 4.36Å; L136-V140 HydrophobicContact CB-CG2 4.05Å; L136-V140 HydrophobicContact CD1-CG2 4.43Å; L136-V140 PolarHBondContact O-N 3.47Å; V140-I144 HydrophobicContact CG1-CB 3.89Å; V140-I144 HydrophobicContact CG1-CD1 3.9Å; V140-I144 HydrophobicContact CG1-CG1 4.42Å; V140-I144 HydrophobicContact CG1-CG2 4.07Å; V140-L145 HydrophobicContact CB-CD2 4.33Å; V140-L145 HydrophobicContact CG1-CD2 4.27Å; V140-L145 HydrophobicContact CG1-CG 4.41Å; V140-L168 HydrophobicContact CG2-CD1 3.66Å; V140-L168 HydrophobicContact CG2-CD2 4.23Å; V140-I189 HydrophobicContact CG1-CG2 4.14Å; V140-I189 HydrophobicContact CG2-CG2 4.16Å
141G86.1Confident87.5Confident14 Ų1453.1 Ų53.114%0.14430%0.298CS..  trans-66.4140.5-178.800000114.3H143 I144 L145 E193G141-H143 PolarHBondContact O-N 3.06Å; G141-I144 PolarHBondContact O-N 2.93Å; G141-L145 PolarHBondContact O-N 3.33Å; G141-E193 PolarHBondContact N-OE2 3.25Å
142D88.4Confident87.7Confident108 Ų10852.9 Ų52.958%0.57831%0.308SS*.Hα-helixtrans-53.2-26.3-176.6-58.3-32.7000114.8R146D142-R146 VanDerWaalsContact O-CB 3.25Å; D142-R146 WeakPolarHBondContact O-CB 3.38Å; D142-R146 PolarHBondContact O-N 3.32Å
143H89.5Confident87.7Confident58 Ų5856.4 Ų56.427%0.26932%0.321SS..Hα-helixtrans-73.5-35.4-179.862.9-74.9000112.4G141 A147 E193 N196 H231 D232G141-H143 PolarHBondContact O-N 3.06Å; H143-A147 PolarHBondContact O-N 3.46Å; H143-A147 VanDerWaalsContact O-N 3.09Å; H143-E193 IonicContact NE2-OE2 3.02Å; H143-N196 PolarHBondContact NE2-ND2 3.27Å; H143-H231 HydrophobicContact CB-CB 3.85Å; H143-D232 IonicContact CD2-OD2 2.91Å; H143-D232 PolarHBondContact CD2-OD2 2.95Å
144I89.9Confident87.6Confident0 Ų062.8 Ų62.80%035%0.351CS..Hα-helixtrans-70.2-45.4171.2-57.5177.2000109.3V140 G141 R146 A147 I148 I189 I192 E193V140-I144 HydrophobicContact CG1-CB 3.89Å; V140-I144 HydrophobicContact CG1-CD1 3.9Å; V140-I144 HydrophobicContact CG1-CG1 4.42Å; V140-I144 HydrophobicContact CG1-CG2 4.07Å; G141-I144 PolarHBondContact O-N 2.93Å; I144-R146 VanDerWaalsContact C-N 3.27Å; I144-R146 PolarHBondContact O-N 3.47Å; I144-A147 PolarHBondContact O-N 3.21Å; I144-A147 VanDerWaalsContact O-N 3.1Å; I144-I148 HydrophobicContact CG2-CD1 3.91Å; I144-I148 HydrophobicContact CG2-CG1 4.41Å; I144-I148 WeakPolarHBondContact O-CG1 3.33Å; I144-I148 PolarHBondContact O-N 2.97Å; I144-I189 HydrophobicContact CG2-CG1 4.36Å; I144-I189 HydrophobicContact CG2-CG2 4.42Å; I144-I192 HydrophobicContact CD1-CB 4.06Å; I144-I192 HydrophobicContact CD1-CG2 3.77Å; I144-I192 HydrophobicContact CG1-CG2 4.27Å; I144-E193 HydrophobicContact CD1-CB 4.15Å
145L90.6Very high87.7Confident26 Ų2664.7 Ų64.714%0.13635%0.349CS..Hα-helixtrans-61.8-36.4178.3-59.8178.8000111.9L136 V140 G141 I148 K149L136-L145 HydrophobicContact CB-CD2 4.09Å; V140-L145 HydrophobicContact CB-CD2 4.33Å; V140-L145 HydrophobicContact CG1-CD2 4.27Å; V140-L145 HydrophobicContact CG1-CG 4.41Å; G141-L145 PolarHBondContact O-N 3.33Å; L145-I148 HydrophobicContact CD2-CD1 4.43Å; L145-K149 WeakPolarHBondContact O-CB 3.46Å; L145-K149 PolarHBondContact O-N 3.05Å; L145-K149 VanDerWaalsContact O-N 3.07Å
146R90.8Very high87.8Confident132 Ų13264.1 Ų64.150%0.49834%0.343SS..Hα-helixtrans-62.5-47.5170.6-176.6-176.7-57.8162.44.7112D142 I144 I148 K149 E150 H231D142-R146 VanDerWaalsContact O-CB 3.25Å; D142-R146 WeakPolarHBondContact O-CB 3.38Å; D142-R146 PolarHBondContact O-N 3.32Å; I144-R146 VanDerWaalsContact C-N 3.27Å; I144-R146 PolarHBondContact O-N 3.47Å; R146-I148 PolarHBondContact O-N 2.91Å; R146-K149 PolarHBondContact O-N 2.9Å; R146-E150 HydrophobicContact CG-CG 4.48Å; R146-E150 WeakPolarHBondContact CG-OE1 3.49Å; R146-E150 WeakPolarHBondContact O-CG 3.36Å; R146-E150 PolarHBondContact O-N 2.98Å; R146-H231 VanDerWaalsContact CD-CE1 3.48Å; R146-H231 WeakPolarHBondContact CD-CE1 3.33Å
147A91.6Very high87.9Confident1 Ų166 Ų661%0.00836%0.355CS..Hα-helixtrans-61.2-43.8178.300000111.8H143 I144 K149 E150 M151 L228H143-A147 PolarHBondContact O-N 3.46Å; H143-A147 VanDerWaalsContact O-N 3.09Å; I144-A147 PolarHBondContact O-N 3.21Å; I144-A147 VanDerWaalsContact O-N 3.1Å; A147-K149 VanDerWaalsContact C-N 3.29Å; A147-K149 PolarHBondContact O-N 3.45Å; A147-E150 PolarHBondContact O-N 3.12Å; A147-E150 VanDerWaalsContact O-N 3.15Å; A147-M151 VanDerWaalsContact O-CG 3.28Å; A147-M151 WeakPolarHBondContact O-CG 3.44Å; A147-M151 PolarHBondContact O-N 3.42Å; A147-L228 VanDerWaalsContact CB-O 3.27Å; A147-L228 WeakPolarHBondContact CB-O 3.5Å
148I90.6Very high88Confident1 Ų165.7 Ų65.71%0.00535%0.347CS..Hα-helixtrans-58-41.9175-66.3166.2000111.2F133 I144 L145 R146 M151 G152 F153 I189 L228F133-I148 HydrophobicContact CB-CG2 4.25Å; F133-I148 HydrophobicContact CD1-CD1 3.97Å; F133-I148 HydrophobicContact CD1-CG2 3.92Å; F133-I148 HydrophobicContact CD2-CG2 3.8Å; F133-I148 HydrophobicContact CE1-CD1 4.15Å; F133-I148 HydrophobicContact CE1-CG2 4.17Å; F133-I148 HydrophobicContact CE2-CG2 4.07Å; F133-I148 HydrophobicContact CG-CG2 3.73Å; F133-I148 HydrophobicContact CZ-CG2 4.24Å; I144-I148 HydrophobicContact CG2-CD1 3.91Å; I144-I148 HydrophobicContact CG2-CG1 4.41Å; I144-I148 WeakPolarHBondContact O-CG1 3.33Å; I144-I148 PolarHBondContact O-N 2.97Å; L145-I148 HydrophobicContact CD2-CD1 4.43Å; R146-I148 PolarHBondContact O-N 2.91Å; I148-M151 WeakPolarHBondContact O-CB 3.36Å; I148-M151 PolarHBondContact O-N 3.01Å; I148-G152 PolarHBondContact O-N 3.02Å; I148-F153 HydrophobicContact CG2-CB 3.91Å; I148-F153 PolarHBondContact O-N 3.28Å; I148-I189 HydrophobicContact CD1-CD1 3.54Å; I148-I189 HydrophobicContact CD1-CG1 4Å; I148-I189 HydrophobicContact CG1-CD1 4.41Å; I148-L228 HydrophobicContact CG1-CD2 3.64Å
149K89.2Confident88.3Confident163 Ų16362.2 Ų62.271%0.70931%0.311SS*.Hα-helixtrans-68.7-36.5176-172168.5-174.2166.80113L145 R146 A147 M151 G152L145-K149 WeakPolarHBondContact O-CB 3.46Å; L145-K149 PolarHBondContact O-N 3.05Å; L145-K149 VanDerWaalsContact O-N 3.07Å; R146-K149 PolarHBondContact O-N 2.9Å; A147-K149 VanDerWaalsContact C-N 3.29Å; A147-K149 PolarHBondContact O-N 3.45Å; K149-M151 VanDerWaalsContact C-N 3.29Å; K149-G152 PolarHBondContact O-N 3.1Å; K149-G152 VanDerWaalsContact O-N 3.07Å
150E90.3Very high88.6Confident120 Ų12058.5 Ų58.556%0.56129%0.291SS*.Hα-helixtrans-68.7-26.8173.5-73.6171.7-169.800112.5R146 A147 G152 H231R146-E150 HydrophobicContact CG-CG 4.48Å; R146-E150 WeakPolarHBondContact CG-OE1 3.49Å; R146-E150 WeakPolarHBondContact O-CG 3.36Å; R146-E150 PolarHBondContact O-N 2.98Å; A147-E150 PolarHBondContact O-N 3.12Å; A147-E150 VanDerWaalsContact O-N 3.15Å; E150-G152 VanDerWaalsContact C-N 3.26Å; E150-H231 VanDerWaalsContact CD-NE2 3.26Å; E150-H231 IonicContact OE1-CE1 3.85Å; E150-H231 PolarHBondContact OE1-CE1 3.28Å; E150-H231 IonicContact OE1-NE2 3.48Å; E150-H231 PolarHBondContact OE1-NE2 3.03Å; E150-H231 VanDerWaalsContact OE1-NE2 3.09Å; E150-H231 IonicContact OE2-CD2 3.58Å; E150-H231 IonicContact OE2-CE1 3.21Å; E150-H231 IonicContact OE2-NE2 2.78Å; E150-H231 PolarHBondContact OE2-NE2 3.08Å
151M86.8Confident88.7Confident51 Ų5159.6 Ų59.625%0.25130%0.296SS..THydrogen-bonded Turntrans-77.3-7.4168.8-63.8173.586.900113.5A147 I148 K149 F153 V224 E227 L228A147-M151 VanDerWaalsContact O-CG 3.28Å; A147-M151 WeakPolarHBondContact O-CG 3.44Å; A147-M151 PolarHBondContact O-N 3.42Å; I148-M151 WeakPolarHBondContact O-CB 3.36Å; I148-M151 PolarHBondContact O-N 3.01Å; K149-M151 VanDerWaalsContact C-N 3.29Å; M151-F153 HydrophobicContact CB-CD2 3.71Å; M151-F153 HydrophobicContact CB-CE2 3.76Å; M151-F153 HydrophobicContact CE-CE2 4.02Å; M151-F153 HydrophobicContact SD-CE2 4.38Å; M151-V224 HydrophobicContact CE-CG1 4.23Å; M151-E227 HydrophobicContact CE-CB 4.06Å; M151-E227 HydrophobicContact SD-CB 4.22Å; M151-L228 HydrophobicContact SD-CD2 3.85Å; M151-L228 HydrophobicContact SD-CG 4.22Å
152G86.6Confident88.8Confident59 Ų5962.7 Ų62.761%0.60831%0.305SS*.THydrogen-bonded Turntrans82.616.7176.800000115.8I148 K149 E150I148-G152 PolarHBondContact O-N 3.02Å; K149-G152 PolarHBondContact O-N 3.1Å; K149-G152 VanDerWaalsContact O-N 3.07Å; E150-G152 VanDerWaalsContact C-N 3.26Å
153F86.7Confident89Confident94 Ų9457.5 Ų57.541%0.41228%0.278SS..  trans-93.9119.2178.3-59.2-62.4000112F133 I148 M151 L185F133-F153 HydrophobicContact CD2-CB 4.17Å; F133-F153 HydrophobicContact CE2-CB 3.78Å; I148-F153 HydrophobicContact CG2-CB 3.91Å; I148-F153 PolarHBondContact O-N 3.28Å; M151-F153 HydrophobicContact CB-CD2 3.71Å; M151-F153 HydrophobicContact CB-CE2 3.76Å; M151-F153 HydrophobicContact CE-CE2 4.02Å; M151-F153 HydrophobicContact SD-CE2 4.38Å; F153-L185 HydrophobicContact CD2-CD1 3.85Å; F153-L185 HydrophobicContact CE2-CD1 3.88Å; F153-L185 HydrophobicContact CG-CD1 4.43Å; F153-L185 HydrophobicContact CZ-CD1 4.48Å
154E84.6Confident89.2Confident146 Ų14654.8 Ų54.868%0.68227%0.265SS*.  trans-100.5-37.6179.4-58.4-167.7141.700113F133F133-E154 PolarHBondContact N-O 2.81Å
155H88Confident89.2Confident106 Ų10657.4 Ų57.449%0.49128%0.275SS..BIsolated β-bridgetrans-119142.3-178.5-64.7-85.2000112.7F133F133-H155 VanDerWaalsContact CE2-C 3.5Å; F133-H155 VanDerWaalsContact CE2-O 3.3Å; F133-H155 WeakPolarHBondContact CE2-O 3.47Å
156M90Very high89.2Confident13 Ų1356.8 Ų56.86%0.06427%0.273CS..  trans-72.9145.1172.1-72.4-176.5-83.100111.7T131 S132 F133 S135 L136 Q160 H161 I164T131-M156 WeakPolarHBondContact O-CB 3.3Å; T131-M156 PolarHBondContact O-N 3.22Å; S132-M156 WeakPolarHBondContact O-CE 3.41Å; F133-M156 HydrophobicContact CD1-CG 3.67Å; F133-M156 HydrophobicContact CD1-SD 4.42Å; F133-M156 HydrophobicContact CD2-CG 4.17Å; F133-M156 HydrophobicContact CE1-CG 3.47Å; F133-M156 VanDerWaalsContact CE1-CG 3.47Å; F133-M156 HydrophobicContact CE1-SD 4.38Å; F133-M156 HydrophobicContact CE2-CG 3.99Å; F133-M156 HydrophobicContact CG-CG 4.02Å; F133-M156 HydrophobicContact CZ-CB 4.4Å; F133-M156 HydrophobicContact CZ-CG 3.64Å; S135-M156 WeakPolarHBondContact OG-CE 3.45Å; L136-M156 HydrophobicContact CD1-CE 4.49Å; L136-M156 HydrophobicContact CD1-SD 4.04Å; L136-M156 HydrophobicContact CD2-CE 4.28Å; L136-M156 HydrophobicContact CD2-SD 4.44Å; L136-M156 HydrophobicContact CG-CE 4.2Å; L136-M156 HydrophobicContact CG-SD 4.36Å; M156-Q160 HydrophobicContact CB-CB 4Å; M156-Q160 HydrophobicContact CG-CB 4.26Å; M156-H161 HydrophobicContact CB-CB 4.35Å; M156-I164 HydrophobicContact SD-CD1 3.97Å
157T87.9Confident89.4Confident39 Ų3950.7 Ų50.724%0.23925%0.25CS..  trans-74.4162.9166.869.90000111.7I159 Q160 H161 S181T157-I159 VanDerWaalsContact C-N 3.27Å; T157-I159 PolarHBondContact O-N 3.25Å; T157-Q160 WeakPolarHBondContact O-CB 3.4Å; T157-Q160 PolarHBondContact O-N 2.87Å; T157-Q160 VanDerWaalsContact OG1-CD 3.23Å; T157-Q160 VanDerWaalsContact OG1-CG 3.3Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.31Å; T157-H161 PolarHBondContact O-N 3.16Å; T157-S181 WeakPolarHBondContact CB-O 3.39Å; T157-S181 PolarHBondContact OG1-O 3.11Å
158E86.2Confident89.4Confident85 Ų8552.7 Ų52.740%0.39726%0.26SS..Hα-helixtrans-52.3-42.7-178.3-159.9-164.914400112.9K162 V342 K346E158-K162 HydrophobicContact CG-CD 4.34Å; E158-K162 WeakPolarHBondContact O-CB 3.37Å; E158-K162 WeakPolarHBondContact O-CG 3.26Å; E158-K162 PolarHBondContact O-N 2.78Å; E158-K162 VanDerWaalsContact O-N 3.11Å; E158-K162 IonicContact OE1-NZ 3.61Å; E158-K162 PolarHBondContact OE1-NZ 2.99Å; E158-V342 HydrophobicContact CB-CG1 4.31Å; E158-V342 HydrophobicContact CG-CG1 4.39Å; E158-V342 HydrophobicContact CG-CG2 4.42Å; E158-K346 IonicContact OE2-NZ 2.69Å; E158-K346 PolarHBondContact OE2-NZ 2.92Å
159I87.9Confident89.4Confident1 Ų158.5 Ų58.51%0.00529%0.288CS..Hα-helixtrans-71.3-38.2177.5-171.162.8000112.2T157 K162 T163 A175 A177 S181 V340 V342T157-I159 VanDerWaalsContact C-N 3.27Å; T157-I159 PolarHBondContact O-N 3.25Å; I159-K162 PolarHBondContact O-N 3.35Å; I159-T163 HydrophobicContact CD1-CG2 3.8Å; I159-T163 HydrophobicContact CG1-CG2 4.28Å; I159-T163 WeakPolarHBondContact O-CG2 3.28Å; I159-T163 PolarHBondContact O-N 3Å; I159-T163 PolarHBondContact O-OG1 2.95Å; I159-T163 VanDerWaalsContact O-OG1 3.06Å; I159-A175 HydrophobicContact CD1-CB 4.21Å; I159-A177 HydrophobicContact CB-CB 4.13Å; I159-A177 HydrophobicContact CD1-CB 4.12Å; I159-A177 HydrophobicContact CG1-CB 3.95Å; I159-A177 HydrophobicContact CG2-CB 4.5Å; I159-S181 WeakPolarHBondContact CG2-O 3.33Å; I159-V340 HydrophobicContact CD1-CB 4.45Å; I159-V340 HydrophobicContact CD1-CG1 3.72Å; I159-V342 HydrophobicContact CB-CG2 4.07Å; I159-V342 HydrophobicContact CD1-CG2 3.79Å
160Q91.6Very high89.3Confident7 Ų752.5 Ų52.53%0.03327%0.272CS..Hα-helixtrans-62.9-47.6176.9-71.4164.42.200110.8M156 T157 T163 I164 G182 A186M156-Q160 HydrophobicContact CB-CB 4Å; M156-Q160 HydrophobicContact CG-CB 4.26Å; T157-Q160 WeakPolarHBondContact O-CB 3.4Å; T157-Q160 PolarHBondContact O-N 2.87Å; T157-Q160 VanDerWaalsContact OG1-CD 3.23Å; T157-Q160 VanDerWaalsContact OG1-CG 3.3Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.31Å; Q160-T163 PolarHBondContact O-N 2.91Å; Q160-I164 HydrophobicContact CB-CD1 3.93Å; Q160-I164 VanDerWaalsContact O-CB 3.31Å; Q160-I164 WeakPolarHBondContact O-CB 3.5Å; Q160-I164 WeakPolarHBondContact O-CD1 3.49Å; Q160-I164 WeakPolarHBondContact O-CG1 3.49Å; Q160-I164 PolarHBondContact O-N 3.31Å; Q160-G182 PolarHBondContact NE2-O 2.92Å; Q160-A186 HydrophobicContact CB-CB 4.36Å; Q160-A186 HydrophobicContact CG-CB 3.77Å
161H89Confident89.3Confident28 Ų2851.9 Ų51.913%0.1326%0.264CS..Hα-helixtrans-59-50.2177.2-173.9-87.4000111.6E129 M156 T157 T163E129-H161 WeakPolarHBondContact CB-NE2 3.39Å; E129-H161 IonicContact OE2-CE1 3.76Å; E129-H161 PolarHBondContact OE2-CE1 3.11Å; E129-H161 VanDerWaalsContact OE2-CE1 3.25Å; E129-H161 IonicContact OE2-NE2 3.69Å; M156-H161 HydrophobicContact CB-CB 4.35Å; T157-H161 PolarHBondContact O-N 3.16Å; H161-T163 VanDerWaalsContact C-N 3.35Å; H161-T163 PolarHBondContact O-N 3.16Å
162K89.1Confident89.6Confident78 Ų7849.6 Ų49.634%0.33925%0.254SS..Hα-helixtrans-66.8-26.2-178.7-73.6175171177.20114.3E158 I159 V340 V342E158-K162 HydrophobicContact CG-CD 4.34Å; E158-K162 WeakPolarHBondContact O-CB 3.37Å; E158-K162 WeakPolarHBondContact O-CG 3.26Å; E158-K162 PolarHBondContact O-N 2.78Å; E158-K162 VanDerWaalsContact O-N 3.11Å; E158-K162 IonicContact OE1-NZ 3.61Å; E158-K162 PolarHBondContact OE1-NZ 2.99Å; I159-K162 PolarHBondContact O-N 3.35Å; K162-V340 HydrophobicContact CB-CG1 3.64Å; K162-V340 HydrophobicContact CD-CG1 4.17Å; K162-V342 HydrophobicContact CD-CG2 3.99Å
163T91.9Very high89.9Confident0 Ų046.8 Ų46.80%023%0.225CC..Hα-helixtrans-102.5-33.8-17966.90000115.2I159 Q160 H161 R165 P166 L167 I173 A175 F317 V340I159-T163 HydrophobicContact CD1-CG2 3.8Å; I159-T163 HydrophobicContact CG1-CG2 4.28Å; I159-T163 WeakPolarHBondContact O-CG2 3.28Å; I159-T163 PolarHBondContact O-N 3Å; I159-T163 PolarHBondContact O-OG1 2.95Å; I159-T163 VanDerWaalsContact O-OG1 3.06Å; Q160-T163 PolarHBondContact O-N 2.91Å; H161-T163 VanDerWaalsContact C-N 3.35Å; H161-T163 PolarHBondContact O-N 3.16Å; T163-R165 PolarHBondContact O-N 3.17Å; T163-P166 WeakPolarHBondContact O-CD 3.5Å; T163-L167 WeakPolarHBondContact O-CB 3.22Å; T163-L167 WeakPolarHBondContact O-CG 3.39Å; T163-L167 PolarHBondContact O-N 3.22Å; T163-I173 HydrophobicContact CG2-CD1 4.1Å; T163-I173 HydrophobicContact CG2-CG2 4.28Å; T163-A175 HydrophobicContact CG2-CB 4.32Å; T163-F317 HydrophobicContact CG2-CE1 4.45Å; T163-V340 HydrophobicContact CG2-CB 4.2Å; T163-V340 HydrophobicContact CG2-CG1 4.09Å; T163-V340 HydrophobicContact CG2-CG2 4.15Å
164I93.1Very high90.1Very high1 Ų143.5 Ų43.51%0.00521%0.211CC..Hα-helixtrans-62.1-45.4-168.8-72.9168.3000111.8L136 M156 Q160 L167 L168 I189L136-I164 HydrophobicContact CD1-CD1 4.46Å; L136-I164 HydrophobicContact CD1-CG2 3.95Å; L136-I164 HydrophobicContact CD2-CG2 3.92Å; M156-I164 HydrophobicContact SD-CD1 3.97Å; Q160-I164 HydrophobicContact CB-CD1 3.93Å; Q160-I164 VanDerWaalsContact O-CB 3.31Å; Q160-I164 WeakPolarHBondContact O-CB 3.5Å; Q160-I164 WeakPolarHBondContact O-CD1 3.49Å; Q160-I164 WeakPolarHBondContact O-CG1 3.49Å; Q160-I164 PolarHBondContact O-N 3.31Å; I164-L167 PolarHBondContact O-N 2.93Å; I164-L168 HydrophobicContact CG2-CD1 3.85Å; I164-L168 HydrophobicContact CG2-CG 4.42Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.5Å; I164-L168 PolarHBondContact O-N 3.11Å; I164-I189 HydrophobicContact CD1-CD1 3.95Å; I164-I189 HydrophobicContact CG2-CG2 4.42Å
165R90.8Very high90.3Very high54 Ų5436.5 Ų36.520%0.20418%0.178CC..Hα-helixtrans-63.5-52.4180-60.7177.7-175.3-170.91.5111.8E129 S135 L136 T163 L167 L168 E169E129-R165 IonicContact OE1-CZ 2.77Å; E129-R165 IonicContact OE1-NH1 3.09Å; E129-R165 PolarHBondContact OE1-NH1 3.14Å; E129-R165 IonicContact OE2-NH1 2.73Å; S135-R165 PolarHBondContact OG-NH2 2.9Å; L136-R165 HydrophobicContact CD2-CG 4.49Å; T163-R165 PolarHBondContact O-N 3.17Å; R165-L167 VanDerWaalsContact C-N 3.29Å; R165-L167 PolarHBondContact O-N 3.35Å; R165-L168 PolarHBondContact O-N 3.32Å; R165-L168 VanDerWaalsContact O-N 3.13Å; R165-E169 PolarHBondContact O-N 2.95Å
166P91.4Very high90.2Very high14 Ų1432 Ų329%0.09116%0.159CC..Hα-helixtrans-62.6-27.1175.6-2535.7000115.5T163 R171 I173 L338T163-P166 WeakPolarHBondContact O-CD 3.5Å; P166-R171 WeakPolarHBondContact O-CB 3.26Å; P166-R171 PolarHBondContact O-N 3.21Å; P166-I173 HydrophobicContact CB-CD1 4.14Å; P166-L338 HydrophobicContact CB-CD2 3.57Å; P166-L338 HydrophobicContact CG-CD2 3.67Å
167L93.8Very high89.8Confident3 Ų331.4 Ų31.42%0.01616%0.156CC..Hα-helixtrans-73.1-35.3173.9-69.7175.5000112.6T163 I164 R165 E169 G170 I173 A186 P190 Q313 M315 F317T163-L167 WeakPolarHBondContact O-CB 3.22Å; T163-L167 WeakPolarHBondContact O-CG 3.39Å; T163-L167 PolarHBondContact O-N 3.22Å; I164-L167 PolarHBondContact O-N 2.93Å; R165-L167 VanDerWaalsContact C-N 3.29Å; R165-L167 PolarHBondContact O-N 3.35Å; L167-E169 VanDerWaalsContact C-N 3.26Å; L167-E169 PolarHBondContact O-N 3.19Å; L167-G170 PolarHBondContact O-N 3.37Å; L167-I173 HydrophobicContact CD1-CD1 4.27Å; L167-I173 HydrophobicContact CD2-CB 3.97Å; L167-I173 HydrophobicContact CD2-CD1 3.48Å; L167-I173 VanDerWaalsContact CD2-CD1 3.48Å; L167-I173 HydrophobicContact CD2-CG1 3.58Å; L167-I173 HydrophobicContact CG-CD1 3.53Å; L167-I173 HydrophobicContact CG-CG1 4.22Å; L167-A186 WeakPolarHBondContact CD1-O 3.39Å; L167-P190 HydrophobicContact CB-CB 3.63Å; L167-P190 HydrophobicContact CB-CG 3.63Å; L167-P190 HydrophobicContact CD1-CG 3.69Å; L167-P190 HydrophobicContact CG-CG 4.31Å; L167-Q313 PolarHBondContact O-NE2 3Å; L167-M315 HydrophobicContact CB-CE 4.24Å; L167-M315 HydrophobicContact CD1-CE 4.15Å; L167-M315 HydrophobicContact CD1-SD 3.72Å; L167-M315 HydrophobicContact CD2-CE 3.85Å; L167-M315 HydrophobicContact CD2-CG 3.73Å; L167-M315 HydrophobicContact CD2-SD 3.77Å; L167-M315 HydrophobicContact CG-CE 4.28Å; L167-M315 HydrophobicContact CG-SD 4.28Å; L167-F317 HydrophobicContact CD1-CZ 4.41Å
168L91.3Very high89Confident43 Ų4330.8 Ų30.823%0.22515%0.151CC..Hα-helixtrans-67.9-25.3174.2-70.5168.1000112.8L139 V140 I164 R165 G170 P190 E193L139-L168 HydrophobicContact CB-CD1 4.28Å; V140-L168 HydrophobicContact CG2-CD1 3.66Å; V140-L168 HydrophobicContact CG2-CD2 4.23Å; I164-L168 HydrophobicContact CG2-CD1 3.85Å; I164-L168 HydrophobicContact CG2-CG 4.42Å; I164-L168 VanDerWaalsContact O-CG 3.31Å; I164-L168 WeakPolarHBondContact O-CG 3.5Å; I164-L168 PolarHBondContact O-N 3.11Å; R165-L168 PolarHBondContact O-N 3.32Å; R165-L168 VanDerWaalsContact O-N 3.13Å; L168-G170 PolarHBondContact O-N 2.7Å; L168-P190 HydrophobicContact CD2-CB 4.01Å; L168-P190 HydrophobicContact CG-CB 4.16Å; L168-E193 HydrophobicContact CD2-CB 3.95Å; L168-E193 HydrophobicContact CD2-CG 3.81Å
169E90.3Very high88.2Confident124 Ų12427.4 Ų27.458%0.57914%0.136SC*.THydrogen-bonded Turntrans-74.5-10.8169.9-63.3165.217800113.3R165 L167 R171R165-E169 PolarHBondContact O-N 2.95Å; L167-E169 VanDerWaalsContact C-N 3.26Å; L167-E169 PolarHBondContact O-N 3.19Å; E169-R171 IonicContact OE1-NH2 3.85Å; E169-R171 IonicContact OE2-CZ 3.29Å; E169-R171 IonicContact OE2-NE 3.86Å; E169-R171 PolarHBondContact OE2-NE 2.92Å; E169-R171 IonicContact OE2-NH2 3.41Å; E169-R171 PolarHBondContact OE2-NH2 3.4Å
170G88.9Confident87.2Confident37 Ų3729.2 Ų29.238%0.38116%0.155SC..THydrogen-bonded Turntrans85.912.5-179.200000115.5L167 L168L167-G170 PolarHBondContact O-N 3.37Å; L168-G170 PolarHBondContact O-N 2.7Å
171R90.1Very high86.3Confident106 Ų10630.2 Ų30.240%0.416%0.162SC..  trans-69.4148.2175-65.9-165.3-95.3173.4-5.5111.3P166 E169 Q313P166-R171 WeakPolarHBondContact O-CB 3.26Å; P166-R171 PolarHBondContact O-N 3.21Å; E169-R171 IonicContact OE1-NH2 3.85Å; E169-R171 IonicContact OE2-CZ 3.29Å; E169-R171 IonicContact OE2-NE 3.86Å; E169-R171 PolarHBondContact OE2-NE 2.92Å; E169-R171 IonicContact OE2-NH2 3.41Å; E169-R171 PolarHBondContact OE2-NH2 3.4Å; R171-Q313 PolarHBondContact O-NE2 2.93Å
172D93.1Very high85.9Confident4 Ų430 Ų302%0.02117%0.167CC..  trans-77.9144167.8-77.17.2000109Q313 T314 K334 P337 L338D172-Q313 WeakPolarHBondContact OD1-CA 3.49Å; D172-T314 WeakPolarHBondContact CA-O 3.4Å; D172-T314 WeakPolarHBondContact CB-O 3.42Å; D172-T314 PolarHBondContact OD1-N 3.24Å; D172-K334 VanDerWaalsContact CG-NZ 3.26Å; D172-K334 IonicContact OD1-NZ 3.73Å; D172-K334 PolarHBondContact OD1-NZ 3.03Å; D172-K334 WeakPolarHBondContact OD2-CB 3.2Å; D172-K334 VanDerWaalsContact OD2-CG 3.27Å; D172-K334 WeakPolarHBondContact OD2-CG 3.32Å; D172-K334 PolarHBondContact OD2-N 2.96Å; D172-K334 IonicContact OD2-NZ 3.82Å; D172-K334 PolarHBondContact OD2-NZ 3.18Å; D172-P337 HydrophobicContact CB-CB 4.23Å; D172-P337 WeakPolarHBondContact O-CA 3.46Å; D172-L338 PolarHBondContact O-N 2.61Å
173I92.3Very high85.9Confident0 Ų026.9 Ų26.90%015%0.154CC..EExtended strand (participates in β ladder)trans-128.9139.8-179.5-67.6-169.5000111.9T163 P166 L167 A175 T314 L316 L338 V340T163-I173 HydrophobicContact CG2-CD1 4.1Å; T163-I173 HydrophobicContact CG2-CG2 4.28Å; P166-I173 HydrophobicContact CB-CD1 4.14Å; L167-I173 HydrophobicContact CD1-CD1 4.27Å; L167-I173 HydrophobicContact CD2-CB 3.97Å; L167-I173 HydrophobicContact CD2-CD1 3.48Å; L167-I173 VanDerWaalsContact CD2-CD1 3.48Å; L167-I173 HydrophobicContact CD2-CG1 3.58Å; L167-I173 HydrophobicContact CG-CD1 3.53Å; L167-I173 HydrophobicContact CG-CG1 4.22Å; I173-A175 HydrophobicContact CG2-CB 3.79Å; I173-T314 PolarHBondContact N-O 3.02Å; I173-L316 PolarHBondContact O-N 3.48Å; I173-L338 WeakPolarHBondContact CA-O 3.28Å; I173-L338 HydrophobicContact CD1-CD2 4.34Å; I173-L338 HydrophobicContact CG1-CB 4.26Å; I173-V340 HydrophobicContact CG2-CG2 4.22Å
174L91Very high85.8Confident24 Ų2428.1 Ų28.113%0.12616%0.161CC..EExtended strand (participates in β ladder)trans-108.3108.1159.6175.858.5000108.5L316 V325 A329 L333 L338 Y339 V340L174-L316 HydrophobicContact CD1-CB 4.3Å; L174-L316 HydrophobicContact CD1-CD2 3.66Å; L174-L316 HydrophobicContact CD1-CG 4.39Å; L174-V325 HydrophobicContact CD1-CG1 4.42Å; L174-A329 HydrophobicContact CD2-CB 4.38Å; L174-L333 HydrophobicContact CB-CD1 4.12Å; L174-L338 PolarHBondContact N-O 2.99Å; L174-Y339 HydrophobicContact CB-CD2 4.15Å; L174-Y339 HydrophobicContact CD2-CD2 3.88Å; L174-Y339 HydrophobicContact CD2-CE2 4.29Å; L174-Y339 HydrophobicContact CG-CD2 3.79Å; L174-Y339 HydrophobicContact CG-CE2 4.15Å; L174-Y339 WeakPolarHBondContact O-CA 3.36Å; L174-Y339 WeakPolarHBondContact O-CD2 3.33Å; L174-V340 PolarHBondContact O-N 3.35Å
175A89.3Confident85.8Confident0 Ų028.5 Ų28.50%016%0.164CC..EExtended strand (participates in β ladder)trans-111.8124-174.100000112.1I159 T163 I173 L316 F317 S318I159-A175 HydrophobicContact CD1-CB 4.21Å; T163-A175 HydrophobicContact CG2-CB 4.32Å; I173-A175 HydrophobicContact CG2-CB 3.79Å; A175-L316 PolarHBondContact N-O 3.25Å; A175-F317 HydrophobicContact CB-CD1 3.47Å; A175-F317 VanDerWaalsContact CB-CD1 3.47Å; A175-F317 HydrophobicContact CB-CE1 3.48Å; A175-F317 VanDerWaalsContact CB-CE1 3.48Å; A175-F317 HydrophobicContact CB-CG 4.08Å; A175-F317 HydrophobicContact CB-CZ 4.07Å; A175-S318 PolarHBondContact O-N 2.96Å
176A85.9Confident85.9Confident10 Ų1026 Ų268%0.08315%0.154CC..EExtended strand (participates in β ladder)trans-116.3112.617700000110.4Y339 V340 V342A176-Y339 HydrophobicContact CB-CE2 4.19Å; A176-Y339 WeakPolarHBondContact CB-OH 3.29Å; A176-V340 PolarHBondContact N-O 3.26Å; A176-V342 PolarHBondContact O-N 2.89Å; A176-V342 VanDerWaalsContact O-N 3.11Å
177A80.4Confident86Confident1 Ų125.3 Ų25.31%0.00815%0.149CC..  trans-154.4145.1176.300000112.3I159 S181 K183 S318 V342I159-A177 HydrophobicContact CB-CB 4.13Å; I159-A177 HydrophobicContact CD1-CB 4.12Å; I159-A177 HydrophobicContact CG1-CB 3.95Å; I159-A177 HydrophobicContact CG2-CB 4.5Å; A177-S181 WeakPolarHBondContact CB-OG 3.49Å; A177-K183 HydrophobicContact CB-CD 4.24Å; A177-K183 HydrophobicContact CB-CG 4.47Å; A177-K183 PolarHBondContact O-NZ 3.04Å; A177-K183 VanDerWaalsContact O-NZ 3.1Å; A177-S318 PolarHBondContact N-O 3.13Å; A177-V342 HydrophobicContact CB-CB 4.21Å
178K72.3Confident86.1Confident27 Ų2725.2 Ų25.212%0.11715%0.149CC..  trans-49.3150.4178.4-77.5162.3-171.2160.20113.6G180 S181 D343 S348 A349 T350 V351K178-G180 PolarHBondContact O-N 3.38Å; K178-S181 VanDerWaalsContact O-CB 3.3Å; K178-S181 WeakPolarHBondContact O-CB 3.36Å; K178-S181 PolarHBondContact O-N 2.68Å; K178-S181 PolarHBondContact O-OG 2.75Å; K178-D343 WeakPolarHBondContact CD-OD1 3.46Å; K178-D343 VanDerWaalsContact CE-CG 3.42Å; K178-D343 WeakPolarHBondContact CE-OD1 3.4Å; K178-D343 VanDerWaalsContact CG-OD2 3.28Å; K178-D343 WeakPolarHBondContact CG-OD2 3.49Å; K178-D343 PolarHBondContact N-OD2 3.45Å; K178-D343 IonicContact NZ-OD1 3.09Å; K178-D343 PolarHBondContact NZ-OD1 2.87Å; K178-S348 WeakPolarHBondContact CE-O 3.3Å; K178-S348 PolarHBondContact NZ-O 3.25Å; K178-A349 WeakPolarHBondContact CE-O 3.5Å; K178-T350 VanDerWaalsContact CE-O 3.23Å; K178-T350 WeakPolarHBondContact CE-O 3.06Å; K178-T350 PolarHBondContact NZ-O 3.46Å; K178-V351 HydrophobicContact CD-CG1 4.31Å
179T68.8Low86.2Confident14 Ų1423.1 Ų23.19%0.08614%0.138CC..THydrogen-bonded Turntrans-65.8126.4175.7580000110.6A319 R469T179-A319 HydrophobicContact CG2-CB 3.88Å; T179-R469 PolarHBondContact OG1-NH2 3.25Å
180G66.6Low86.5Confident39 Ų3917.4 Ų17.440%0.40211%0.112SC..THydrogen-bonded Turntrans105.2-12-174.800000114.4K178 G182K178-G180 PolarHBondContact O-N 3.38Å; G180-G182 PolarHBondContact O-N 3.1Å
181S73.1Confident86.7Confident27 Ų2715.7 Ų15.719%0.1899%0.094CC..SBendtrans-66.64.517956.60000116.3T157 I159 A177 K178 K183T157-S181 WeakPolarHBondContact CB-O 3.39Å; T157-S181 PolarHBondContact OG1-O 3.11Å; I159-S181 WeakPolarHBondContact CG2-O 3.33Å; A177-S181 WeakPolarHBondContact CB-OG 3.49Å; K178-S181 VanDerWaalsContact O-CB 3.3Å; K178-S181 WeakPolarHBondContact O-CB 3.36Å; K178-S181 PolarHBondContact O-N 2.68Å; K178-S181 PolarHBondContact O-OG 2.75Å; S181-K183 WeakPolarHBondContact OG-CG 3.45Å
182G80.8Confident86.9Confident23 Ų2310.7 Ų10.724%0.2378%0.075CC..  trans83.816.3178.700000116.1Q160 G180 T184 L185Q160-G182 PolarHBondContact NE2-O 2.92Å; G180-G182 PolarHBondContact O-N 3.1Å; G182-T184 PolarHBondContact O-N 3.03Å; G182-L185 PolarHBondContact O-N 3.2Å
183K88.4Confident87Confident13 Ų1311.1 Ų11.16%0.0578%0.077CC..Hα-helixtrans-45.6-36.5179.8-58.8-169.4-65.9-1640114.3A177 S181 L185 A186 F187 E288 F317 S318A177-K183 HydrophobicContact CB-CD 4.24Å; A177-K183 HydrophobicContact CB-CG 4.47Å; A177-K183 PolarHBondContact O-NZ 3.04Å; A177-K183 VanDerWaalsContact O-NZ 3.1Å; S181-K183 WeakPolarHBondContact OG-CG 3.45Å; K183-L185 PolarHBondContact O-N 3.05Å; K183-A186 VanDerWaalsContact O-CB 3.23Å; K183-A186 WeakPolarHBondContact O-CB 3.31Å; K183-A186 PolarHBondContact O-N 3.09Å; K183-A186 VanDerWaalsContact O-N 3.1Å; K183-F187 WeakPolarHBondContact O-CD1 3.3Å; K183-F187 PolarHBondContact O-N 3.31Å; K183-E288 IonicContact NZ-OE2 3.87Å; K183-E288 PolarHBondContact NZ-OE2 3.36Å; K183-F317 HydrophobicContact CB-CD1 4.07Å; K183-F317 HydrophobicContact CD-CD1 4.16Å; K183-F317 HydrophobicContact CG-CD1 4.27Å; K183-S318 VanDerWaalsContact NZ-C 3.31Å; K183-S318 PolarHBondContact NZ-O 3.2Å
184T91Very high87Confident26 Ų2613.3 Ų13.316%0.169%0.089CC..Hα-helixtrans-59.5-44-177.2-42.50000113.2G182 A186 F187 L188 T221 V224G182-T184 PolarHBondContact O-N 3.03Å; T184-A186 VanDerWaalsContact C-N 3.34Å; T184-F187 HydrophobicContact CG2-CE2 4.41Å; T184-F187 HydrophobicContact CG2-CZ 4.13Å; T184-L188 HydrophobicContact CG2-CD1 3.82Å; T184-L188 HydrophobicContact CG2-CG 4.49Å; T184-L188 WeakPolarHBondContact O-CB 3.48Å; T184-L188 WeakPolarHBondContact O-CG 3.18Å; T184-L188 PolarHBondContact O-N 2.99Å; T184-L188 VanDerWaalsContact O-N 3.1Å; T184-T221 HydrophobicContact CG2-CG2 4.12Å; T184-V224 HydrophobicContact CG2-CB 4.18Å; T184-V224 HydrophobicContact CG2-CG1 4.1Å; T184-V224 HydrophobicContact CG2-CG2 4.34Å
185L91.6Very high87.1Confident10 Ų1012.2 Ų12.25%0.0528%0.083CC..Hα-helixtrans-70-35.6175.2-61.5-178.4000111.4F133 F153 G182 K183 F187 L188 I189 V224 L228F133-L185 HydrophobicContact CZ-CD1 4.37Å; F153-L185 HydrophobicContact CD2-CD1 3.85Å; F153-L185 HydrophobicContact CE2-CD1 3.88Å; F153-L185 HydrophobicContact CG-CD1 4.43Å; F153-L185 HydrophobicContact CZ-CD1 4.48Å; G182-L185 PolarHBondContact O-N 3.2Å; K183-L185 PolarHBondContact O-N 3.05Å; L185-F187 PolarHBondContact O-N 3.45Å; L185-L188 PolarHBondContact O-N 2.92Å; L185-I189 HydrophobicContact CB-CD1 4.08Å; L185-I189 WeakPolarHBondContact O-CB 3.38Å; L185-I189 WeakPolarHBondContact O-CG1 3.46Å; L185-I189 PolarHBondContact O-N 3.22Å; L185-I189 VanDerWaalsContact O-N 3.09Å; L185-V224 HydrophobicContact CD2-CG1 3.75Å; L185-L228 HydrophobicContact CD2-CD1 3.86Å; L185-L228 HydrophobicContact CD2-CD2 4.2Å; L185-L228 HydrophobicContact CD2-CG 4.28Å
186A92.9Very high87.2Confident0 Ų013 Ų130%09%0.087CC..Hα-helixtrans-58.4-33-177.100000113.2Q160 L167 K183 T184 P190 F317Q160-A186 HydrophobicContact CB-CB 4.36Å; Q160-A186 HydrophobicContact CG-CB 3.77Å; L167-A186 WeakPolarHBondContact CD1-O 3.39Å; K183-A186 VanDerWaalsContact O-CB 3.23Å; K183-A186 WeakPolarHBondContact O-CB 3.31Å; K183-A186 PolarHBondContact O-N 3.09Å; K183-A186 VanDerWaalsContact O-N 3.1Å; T184-A186 VanDerWaalsContact C-N 3.34Å; A186-P190 WeakPolarHBondContact O-CD 3.39Å; A186-P190 WeakPolarHBondContact O-CG 3.23Å; A186-F317 HydrophobicContact CB-CE1 4.29Å; A186-F317 HydrophobicContact CB-CZ 4.48Å
187F94.5Very high87.4Confident0 Ų017.8 Ų17.80%011%0.106CC..Hα-helixtrans-97.5-33.217363.2-114.3000114.6K183 T184 L185 P190 S191 I210 T221 I285 D287 M315 F317K183-F187 WeakPolarHBondContact O-CD1 3.3Å; K183-F187 PolarHBondContact O-N 3.31Å; T184-F187 HydrophobicContact CG2-CE2 4.41Å; T184-F187 HydrophobicContact CG2-CZ 4.13Å; L185-F187 PolarHBondContact O-N 3.45Å; F187-P190 WeakPolarHBondContact O-CD 3.33Å; F187-S191 WeakPolarHBondContact O-CB 3.49Å; F187-S191 PolarHBondContact O-N 3.23Å; F187-S191 PolarHBondContact O-OG 3.42Å; F187-S191 VanDerWaalsContact O-OG 3.06Å; F187-I210 HydrophobicContact CE2-CD1 4.26Å; F187-I210 HydrophobicContact CE2-CG2 4.05Å; F187-I210 HydrophobicContact CZ-CG2 4.49Å; F187-T221 HydrophobicContact CE2-CG2 3.89Å; F187-T221 HydrophobicContact CZ-CG2 4.07Å; F187-I285 HydrophobicContact CB-CD1 4.01Å; F187-I285 HydrophobicContact CB-CG2 4.19Å; F187-I285 HydrophobicContact CD1-CG2 4.17Å; F187-I285 HydrophobicContact CD2-CD1 3.62Å; F187-I285 HydrophobicContact CD2-CG2 3.98Å; F187-I285 HydrophobicContact CE1-CG2 4.5Å; F187-I285 HydrophobicContact CE2-CD1 4.43Å; F187-I285 HydrophobicContact CE2-CG2 4.34Å; F187-I285 HydrophobicContact CG-CD1 4.14Å; F187-I285 HydrophobicContact CG-CG2 3.89Å; F187-D287 HydrophobicContact CE1-CB 4.18Å; F187-D287 HydrophobicContact CZ-CB 4.21Å; F187-M315 HydrophobicContact CB-SD 4.07Å; F187-F317 HydrophobicContact CB-CD2 4.24Å; F187-F317 HydrophobicContact CB-CE2 3.58Å; F187-F317 HydrophobicContact CB-CZ 3.95Å; F187-F317 HydrophobicContact CD1-CD1 4.47Å; F187-F317 AromaticContact CD1-CD2 3.81Å; F187-F317 HydrophobicContact CD1-CD2 3.81Å; F187-F317 AromaticContact CD1-CE2 3.94Å; F187-F317 HydrophobicContact CD1-CE2 3.94Å; F187-F317 HydrophobicContact CD1-CG 4.11Å; F187-F317 HydrophobicContact CD1-CZ 4.31Å; F187-F317 HydrophobicContact CG-CD2 4.45Å; F187-F317 HydrophobicContact CG-CE2 4.23Å
188L95.4Very high87.9Confident1 Ų121.8 Ų21.81%0.00513%0.127CC..Hα-helixtrans-65.9-44.5-178.3-76176000112.6T184 L185 S191 I192 I210 V224 M225 L228T184-L188 HydrophobicContact CG2-CD1 3.82Å; T184-L188 HydrophobicContact CG2-CG 4.49Å; T184-L188 WeakPolarHBondContact O-CB 3.48Å; T184-L188 WeakPolarHBondContact O-CG 3.18Å; T184-L188 PolarHBondContact O-N 2.99Å; T184-L188 VanDerWaalsContact O-N 3.1Å; L185-L188 PolarHBondContact O-N 2.92Å; L188-S191 PolarHBondContact O-N 3.1Å; L188-I192 HydrophobicContact CB-CD1 4.37Å; L188-I192 VanDerWaalsContact O-CG1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.41Å; L188-I192 PolarHBondContact O-N 2.93Å; L188-I210 HydrophobicContact CD2-CD1 3.5Å; L188-I210 VanDerWaalsContact CD2-CD1 3.5Å; L188-V224 HydrophobicContact CD1-CB 4.13Å; L188-V224 HydrophobicContact CD1-CG1 3.75Å; L188-M225 HydrophobicContact CD1-CB 4.05Å; L188-M225 HydrophobicContact CD2-CB 3.99Å; L188-M225 HydrophobicContact CD2-CG 4.1Å; L188-M225 HydrophobicContact CD2-SD 4.49Å; L188-L228 HydrophobicContact CB-CD1 3.64Å; L188-L228 HydrophobicContact CD1-CD1 3.93Å; L188-L228 HydrophobicContact CG-CD1 4.44Å
189I94.6Very high88.7Confident0 Ų028.1 Ų28.10%015%0.154CC..Hα-helixtrans-55.4-57.2-177.7-66.9167.1000112F133 V140 I144 I148 I164 L185 S191 I192 E193F133-I189 HydrophobicContact CE1-CD1 3.77Å; V140-I189 HydrophobicContact CG1-CG2 4.14Å; V140-I189 HydrophobicContact CG2-CG2 4.16Å; I144-I189 HydrophobicContact CG2-CG1 4.36Å; I144-I189 HydrophobicContact CG2-CG2 4.42Å; I148-I189 HydrophobicContact CD1-CD1 3.54Å; I148-I189 HydrophobicContact CD1-CG1 4Å; I148-I189 HydrophobicContact CG1-CD1 4.41Å; I164-I189 HydrophobicContact CD1-CD1 3.95Å; I164-I189 HydrophobicContact CG2-CG2 4.42Å; L185-I189 HydrophobicContact CB-CD1 4.08Å; L185-I189 WeakPolarHBondContact O-CB 3.38Å; L185-I189 WeakPolarHBondContact O-CG1 3.46Å; L185-I189 PolarHBondContact O-N 3.22Å; L185-I189 VanDerWaalsContact O-N 3.09Å; I189-S191 VanDerWaalsContact C-N 3.33Å; I189-S191 PolarHBondContact O-N 3.26Å; I189-I192 PolarHBondContact O-N 3.06Å; I189-E193 WeakPolarHBondContact O-CB 3.19Å; I189-E193 PolarHBondContact O-N 3.3Å
190P94.9Very high89.8Confident3 Ų328.2 Ų28.22%0.01915%0.154CC..Hα-helixtrans-66.7-31179.125-34.1000113.3L167 L168 A186 F187 L194 M315L167-P190 HydrophobicContact CB-CB 3.63Å; L167-P190 HydrophobicContact CB-CG 3.63Å; L167-P190 HydrophobicContact CD1-CG 3.69Å; L167-P190 HydrophobicContact CG-CG 4.31Å; L168-P190 HydrophobicContact CD2-CB 4.01Å; L168-P190 HydrophobicContact CG-CB 4.16Å; A186-P190 WeakPolarHBondContact O-CD 3.39Å; A186-P190 WeakPolarHBondContact O-CG 3.23Å; F187-P190 WeakPolarHBondContact O-CD 3.33Å; P190-L194 VanDerWaalsContact O-CB 3.31Å; P190-L194 WeakPolarHBondContact O-CB 3.21Å; P190-L194 PolarHBondContact O-N 3.32Å; P190-M315 HydrophobicContact CB-CE 4.48Å; P190-M315 HydrophobicContact CG-CE 4.27Å
191S94.6Very high91Very high1 Ų130.6 Ų30.61%0.00716%0.155CC..Hα-helixtrans-71.1-37178.1-68.50000113.8F187 L188 I189 I195 I285 M315F187-S191 WeakPolarHBondContact O-CB 3.49Å; F187-S191 PolarHBondContact O-N 3.23Å; F187-S191 PolarHBondContact O-OG 3.42Å; F187-S191 VanDerWaalsContact O-OG 3.06Å; L188-S191 PolarHBondContact O-N 3.1Å; I189-S191 VanDerWaalsContact C-N 3.33Å; I189-S191 PolarHBondContact O-N 3.26Å; S191-I195 WeakPolarHBondContact O-CG1 3.4Å; S191-I195 PolarHBondContact O-N 2.96Å; S191-I285 WeakPolarHBondContact OG-CD1 3.47Å; S191-M315 WeakPolarHBondContact OG-CE 3.28Å
192I94Very high91.7Very high1 Ų132 Ų321%0.00516%0.164CC..Hα-helixtrans-70.1-44.7173.4-61.6163.5000109I144 L188 I189 L194 I195 N196 L228 M229 D232 I258I144-I192 HydrophobicContact CD1-CB 4.06Å; I144-I192 HydrophobicContact CD1-CG2 3.77Å; I144-I192 HydrophobicContact CG1-CG2 4.27Å; L188-I192 HydrophobicContact CB-CD1 4.37Å; L188-I192 VanDerWaalsContact O-CG1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.41Å; L188-I192 PolarHBondContact O-N 2.93Å; I189-I192 PolarHBondContact O-N 3.06Å; I192-L194 VanDerWaalsContact C-N 3.33Å; I192-L194 PolarHBondContact O-N 3.45Å; I192-I195 WeakPolarHBondContact O-CB 3.27Å; I192-I195 PolarHBondContact O-N 3.01Å; I192-N196 VanDerWaalsContact O-CG 3.23Å; I192-N196 PolarHBondContact O-N 2.95Å; I192-N196 PolarHBondContact O-ND2 3.02Å; I192-N196 PolarHBondContact O-OD1 2.94Å; I192-L228 HydrophobicContact CD1-CB 3.93Å; I192-L228 HydrophobicContact CD1-CD1 4.11Å; I192-M229 HydrophobicContact CD1-CG 3.85Å; I192-M229 HydrophobicContact CG1-CG 4.3Å; I192-M229 HydrophobicContact CG2-CG 4.42Å; I192-D232 VanDerWaalsContact CG2-OD2 3.26Å; I192-D232 WeakPolarHBondContact CG2-OD2 3.22Å; I192-I258 HydrophobicContact CB-CD1 4.44Å; I192-I258 HydrophobicContact CG1-CD1 3.87Å
193E93.8Very high92.1Very high14 Ų1439.8 Ų39.87%0.06519%0.186CC..Hα-helixtrans-62.6-35.7179.1-173.355.2-15000113.4G141 H143 I144 L168 I189 I195 N196 K197G141-E193 PolarHBondContact N-OE2 3.25Å; H143-E193 IonicContact NE2-OE2 3.02Å; I144-E193 HydrophobicContact CD1-CB 4.15Å; L168-E193 HydrophobicContact CD2-CB 3.95Å; L168-E193 HydrophobicContact CD2-CG 3.81Å; I189-E193 WeakPolarHBondContact O-CB 3.19Å; I189-E193 PolarHBondContact O-N 3.3Å; E193-I195 VanDerWaalsContact C-N 3.33Å; E193-I195 PolarHBondContact O-N 3.28Å; E193-N196 WeakPolarHBondContact O-CB 3.37Å; E193-N196 PolarHBondContact O-N 3.39Å; E193-K197 HydrophobicContact CG-CD 4.14Å; E193-K197 WeakPolarHBondContact O-CB 3.17Å; E193-K197 WeakPolarHBondContact O-CG 3.25Å; E193-K197 PolarHBondContact O-N 2.79Å; E193-K197 WeakPolarHBondContact OE1-CE 3.16Å; E193-K197 WeakPolarHBondContact OE1-CG 3.49Å; E193-K197 IonicContact OE1-NZ 3.86Å
194L93.1Very high92.2Very high46 Ų4641.6 Ų41.624%0.24120%0.196CC..Hα-helixtrans-60-42172.2177.762.9000112P190 I192 L198 Q282 C283P190-L194 VanDerWaalsContact O-CB 3.31Å; P190-L194 WeakPolarHBondContact O-CB 3.21Å; P190-L194 PolarHBondContact O-N 3.32Å; I192-L194 VanDerWaalsContact C-N 3.33Å; I192-L194 PolarHBondContact O-N 3.45Å; L194-L198 HydrophobicContact CD1-CD1 3.82Å; L194-L198 HydrophobicContact CD1-CG 4.36Å; L194-L198 HydrophobicContact CG-CD1 4.15Å; L194-L198 WeakPolarHBondContact O-CB 3.16Å; L194-L198 VanDerWaalsContact O-CG 3.26Å; L194-L198 WeakPolarHBondContact O-CG 3.31Å; L194-L198 PolarHBondContact O-N 2.82Å; L194-L198 VanDerWaalsContact O-N 3.12Å; L194-Q282 HydrophobicContact CD2-CB 3.99Å; L194-C283 HydrophobicContact CD2-CB 4.05Å
195I93.1Very high92.3Very high0 Ų040.5 Ų40.50%019%0.19CC..Hα-helixtrans-67.4-38.9177.6-75.2-67.1000111.2S191 I192 E193 K199 F200 V208 H234 I258S191-I195 WeakPolarHBondContact O-CG1 3.4Å; S191-I195 PolarHBondContact O-N 2.96Å; I192-I195 WeakPolarHBondContact O-CB 3.27Å; I192-I195 PolarHBondContact O-N 3.01Å; E193-I195 VanDerWaalsContact C-N 3.33Å; E193-I195 PolarHBondContact O-N 3.28Å; I195-K199 PolarHBondContact O-N 2.9Å; I195-F200 HydrophobicContact CD1-CB 4.12Å; I195-F200 HydrophobicContact CD1-CD1 4.01Å; I195-F200 HydrophobicContact CD1-CD2 3.96Å; I195-F200 HydrophobicContact CD1-CE1 4.42Å; I195-F200 HydrophobicContact CD1-CE2 4.37Å; I195-F200 HydrophobicContact CD1-CG 3.77Å; I195-F200 HydrophobicContact CG2-CB 4.07Å; I195-F200 PolarHBondContact O-N 3.33Å; I195-V208 HydrophobicContact CD1-CG2 3.98Å; I195-V208 HydrophobicContact CG1-CG2 3.52Å; I195-H234 HydrophobicContact CG2-CB 4.1Å; I195-H234 VanDerWaalsContact CG2-CD2 3.5Å; I195-H234 WeakPolarHBondContact CG2-CD2 3.22Å; I195-I258 HydrophobicContact CB-CD1 4.43Å; I195-I258 HydrophobicContact CG1-CD1 4.21Å; I195-I258 HydrophobicContact CG1-CG1 4.12Å; I195-I258 HydrophobicContact CG2-CD1 4.38Å
196N90.8Very high92.5Very high18 Ų1840 Ų4010%0.09619%0.188CC..Hα-helixtrans-63.9-51.3175.3-64.1-21.2000112.3H143 I192 E193 L198 K199 D232 H234H143-N196 PolarHBondContact NE2-ND2 3.27Å; I192-N196 VanDerWaalsContact O-CG 3.23Å; I192-N196 PolarHBondContact O-N 2.95Å; I192-N196 PolarHBondContact O-ND2 3.02Å; I192-N196 PolarHBondContact O-OD1 2.94Å; E193-N196 WeakPolarHBondContact O-CB 3.37Å; E193-N196 PolarHBondContact O-N 3.39Å; N196-L198 VanDerWaalsContact C-N 3.27Å; N196-L198 PolarHBondContact O-N 3.35Å; N196-K199 WeakPolarHBondContact O-CG 3.33Å; N196-K199 PolarHBondContact O-N 2.98Å; N196-D232 PolarHBondContact OD1-OD1 3.05Å; N196-H234 PolarHBondContact OD1-CE1 2.89Å; N196-H234 PolarHBondContact OD1-ND1 3.13Å
197K90.6Very high92.6Very high110 Ų11040 Ų4048%0.47819%0.188SC..Hα-helixtrans-60-37178.4-77.2171.2174.5154.80112.1L139 E193 K199L139-K197 PolarHBondContact O-NZ 3.41Å; E193-K197 HydrophobicContact CG-CD 4.14Å; E193-K197 WeakPolarHBondContact O-CB 3.17Å; E193-K197 WeakPolarHBondContact O-CG 3.25Å; E193-K197 PolarHBondContact O-N 2.79Å; E193-K197 WeakPolarHBondContact OE1-CE 3.16Å; E193-K197 WeakPolarHBondContact OE1-CG 3.49Å; E193-K197 IonicContact OE1-NZ 3.86Å; K197-K199 VanDerWaalsContact C-N 3.32Å
198L90.9Very high92.8Very high84 Ų8440 Ų4044%0.4419%0.188SC..THydrogen-bonded Turntrans-83.4-3176.4-64.5175.8000114.2L194 N196 F200 Q282L194-L198 HydrophobicContact CD1-CD1 3.82Å; L194-L198 HydrophobicContact CD1-CG 4.36Å; L194-L198 HydrophobicContact CG-CD1 4.15Å; L194-L198 WeakPolarHBondContact O-CB 3.16Å; L194-L198 VanDerWaalsContact O-CG 3.26Å; L194-L198 WeakPolarHBondContact O-CG 3.31Å; L194-L198 PolarHBondContact O-N 2.82Å; L194-L198 VanDerWaalsContact O-N 3.12Å; N196-L198 VanDerWaalsContact C-N 3.27Å; N196-L198 PolarHBondContact O-N 3.35Å; L198-F200 VanDerWaalsContact C-N 3.29Å; L198-F200 HydrophobicContact CB-CD2 3.79Å; L198-F200 HydrophobicContact CB-CE2 4.07Å; L198-F200 HydrophobicContact CD1-CE2 4.18Å; L198-F200 PolarHBondContact O-N 2.67Å; L198-Q282 HydrophobicContact CD1-CB 4.31Å; L198-Q282 HydrophobicContact CD1-CG 3.68Å
199K90Very high92.9Very high160 Ų16040 Ų4070%0.69619%0.188SC*.THydrogen-bonded Turntrans49.647176.6-58-178.5-177.4179.60112.8I195 N196 K197 M201I195-K199 PolarHBondContact O-N 2.9Å; N196-K199 WeakPolarHBondContact O-CG 3.33Å; N196-K199 PolarHBondContact O-N 2.98Å; K197-K199 VanDerWaalsContact C-N 3.32Å; K199-M201 PolarHBondContact O-N 3.07Å
200F91.8Very high93Very high17 Ų1740 Ų408%0.07519%0.188CC..  trans-60.9131.2-177.1-107.1-113.4000111.3I195 L198 N204 H234 N280 Q282I195-F200 HydrophobicContact CD1-CB 4.12Å; I195-F200 HydrophobicContact CD1-CD1 4.01Å; I195-F200 HydrophobicContact CD1-CD2 3.96Å; I195-F200 HydrophobicContact CD1-CE1 4.42Å; I195-F200 HydrophobicContact CD1-CE2 4.37Å; I195-F200 HydrophobicContact CD1-CG 3.77Å; I195-F200 HydrophobicContact CG2-CB 4.07Å; I195-F200 PolarHBondContact O-N 3.33Å; L198-F200 VanDerWaalsContact C-N 3.29Å; L198-F200 HydrophobicContact CB-CD2 3.79Å; L198-F200 HydrophobicContact CB-CE2 4.07Å; L198-F200 HydrophobicContact CD1-CE2 4.18Å; L198-F200 PolarHBondContact O-N 2.67Å; F200-N204 HydrophobicContact CD1-CB 3.61Å; F200-N204 HydrophobicContact CE1-CB 3.75Å; F200-N204 HydrophobicContact CG-CB 4.23Å; F200-N204 HydrophobicContact CZ-CB 4.47Å; F200-H234 PolarHBondContact O-CD2 2.78Å; F200-H234 PolarHBondContact O-NE2 2.79Å; F200-N280 HydrophobicContact CE1-CB 4.42Å; F200-N280 HydrophobicContact CZ-CB 4.25Å; F200-Q282 HydrophobicContact CE2-CG 3.91Å; F200-Q282 HydrophobicContact CZ-CG 3.92Å
201M90.8Very high93.1Very high88 Ų8839.9 Ų39.943%0.43319%0.187SC..  trans-105.5161.5172.5-59174.4-178.300109.2K199 R203 N204 N257K199-M201 PolarHBondContact O-N 3.07Å; M201-R203 HydrophobicContact CB-CG 3.79Å; M201-R203 PolarHBondContact O-N 2.9Å; M201-R203 VanDerWaalsContact O-N 3.11Å; M201-R203 PolarHBondContact SD-NE 2.83Å; M201-R203 VanDerWaalsContact SD-NE 3.36Å; M201-R203 PolarHBondContact SD-NH2 3.49Å; M201-N204 WeakPolarHBondContact CB-OD1 3.41Å; M201-N204 PolarHBondContact N-OD1 3.32Å; M201-N204 WeakPolarHBondContact O-CB 3.23Å; M201-N204 PolarHBondContact O-N 3.21Å; M201-N204 PolarHBondContact O-OD1 2.96Å; M201-N257 PolarHBondContact O-ND2 3.44Å
202P88.1Confident93Very high57 Ų5739.9 Ų39.937%0.3719%0.186SC..G310 helixtrans-53.4-36177.1-29.837.2000113.2N204 G205 T235 G255P202-N204 PolarHBondContact O-N 3.47Å; P202-N204 VanDerWaalsContact O-N 3.16Å; P202-G205 PolarHBondContact O-N 3.48Å; P202-T235 HydrophobicContact CB-CG2 4.46Å; P202-T235 HydrophobicContact CG-CG2 3.79Å; P202-G255 VanDerWaalsContact O-CA 3.29Å; P202-G255 WeakPolarHBondContact O-CA 3.25Å
203R89.3Confident92.7Very high187 Ų18740.1 Ų40.171%0.70619%0.188SC*.G310 helixtrans-61-17.1174.263.9169.4-179.7169.40.1115.5M201 G205 M277M201-R203 HydrophobicContact CB-CG 3.79Å; M201-R203 PolarHBondContact O-N 2.9Å; M201-R203 VanDerWaalsContact O-N 3.11Å; M201-R203 PolarHBondContact SD-NE 2.83Å; M201-R203 VanDerWaalsContact SD-NE 3.36Å; M201-R203 PolarHBondContact SD-NH2 3.49Å; R203-G205 VanDerWaalsContact C-N 3.29Å; R203-M277 VanDerWaalsContact O-SD 3.4Å
204N90.3Very high92.2Very high50 Ų5040.7 Ų40.727%0.26719%0.193SC..G310 helixtrans-82.1-10.1174-63.888.5000112.2F200 M201 P202 M277 N280F200-N204 HydrophobicContact CD1-CB 3.61Å; F200-N204 HydrophobicContact CE1-CB 3.75Å; F200-N204 HydrophobicContact CG-CB 4.23Å; F200-N204 HydrophobicContact CZ-CB 4.47Å; M201-N204 WeakPolarHBondContact CB-OD1 3.41Å; M201-N204 PolarHBondContact N-OD1 3.32Å; M201-N204 WeakPolarHBondContact O-CB 3.23Å; M201-N204 PolarHBondContact O-N 3.21Å; M201-N204 PolarHBondContact O-OD1 2.96Å; P202-N204 PolarHBondContact O-N 3.47Å; P202-N204 VanDerWaalsContact O-N 3.16Å; N204-M277 VanDerWaalsContact C-SD 3.56Å; N204-N280 PolarHBondContact O-ND2 3.37Å
205G92.8Very high91.8Very high3 Ų342.2 Ų42.23%0.03120%0.195CC..  trans72.8-152.2-175.900000113P202 R203 V256 N257 M277P202-G205 PolarHBondContact O-N 3.48Å; R203-G205 VanDerWaalsContact C-N 3.29Å; G205-V256 CarbonylContact C-O 3.46Å; G205-N257 WeakPolarHBondContact O-CA 3.48Å; G205-N257 PolarHBondContact O-ND2 3.2Å; G205-M277 CarbonylContact C-O 3.5Å; G205-M277 WeakPolarHBondContact CA-O 3.45Å
206T96.3Very high91.2Very high1 Ų142.7 Ų42.71%0.00620%0.198CC..  trans-85.5117.3-175.4-53.60000111.5V208 V209 V256 L259 M277 L281T206-V208 WeakPolarHBondContact CG2-O 3.31Å; T206-V209 HydrophobicContact CG2-CG2 3.76Å; T206-V256 WeakPolarHBondContact CA-O 3.42Å; T206-V256 VanDerWaalsContact CB-O 3.31Å; T206-V256 WeakPolarHBondContact CB-O 3.48Å; T206-V256 PolarHBondContact N-O 3.04Å; T206-V256 PolarHBondContact OG1-O 3.21Å; T206-L259 HydrophobicContact CG2-CB 3.7Å; T206-L259 HydrophobicContact CG2-CD2 4.35Å; T206-M277 PolarHBondContact N-O 3.34Å; T206-L281 HydrophobicContact CG2-CD1 4.33Å
207G95.9Very high90.8Very high0 Ų042.1 Ų42.10%019%0.194CC..SBendtrans-97.8-25.8175.300000113.4N257 Q282 C283G207-N257 PolarHBondContact N-O 3.34Å; G207-Q282 PolarHBondContact O-N 2.91Å; G207-C283 PolarHBondContact O-N 2.77Å
208V97.5Very high90.8Very high0 Ų036.9 Ų36.90%017%0.172CC..EExtended strand (participates in β ladder)trans-126131.1175.5179.40000110.3I195 T206 I210 N257 I258 L259 C283 I285I195-V208 HydrophobicContact CD1-CG2 3.98Å; I195-V208 HydrophobicContact CG1-CG2 3.52Å; T206-V208 WeakPolarHBondContact CG2-O 3.31Å; V208-I210 HydrophobicContact CG1-CD1 4.45Å; V208-I210 HydrophobicContact CG1-CG1 3.96Å; V208-N257 PolarHBondContact N-O 3.01Å; V208-N257 VanDerWaalsContact N-O 3.13Å; V208-I258 HydrophobicContact CB-CB 4.4Å; V208-I258 HydrophobicContact CB-CG1 4.18Å; V208-I258 HydrophobicContact CB-CG2 4.03Å; V208-I258 HydrophobicContact CG1-CG2 4.08Å; V208-I258 HydrophobicContact CG2-CG1 4.31Å; V208-L259 PolarHBondContact O-N 3.36Å; V208-C283 WeakPolarHBondContact CA-O 3.34Å; V208-C283 HydrophobicContact CG1-CB 4.39Å; V208-C283 HydrophobicContact CG2-CB 4.07Å; V208-I285 HydrophobicContact CG1-CD1 4.31Å
209V97.7Very high90.7Very high1 Ų135 Ų351%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-118.6129.5168.7165.50000109.2T206 L211 L259 L266 L281 C283 L284 I285T206-V209 HydrophobicContact CG2-CG2 3.76Å; V209-L211 HydrophobicContact CG1-CD2 4.42Å; V209-L211 HydrophobicContact CG1-CG 4.21Å; V209-L259 WeakPolarHBondContact CA-O 3.38Å; V209-L259 HydrophobicContact CG2-CB 4.46Å; V209-L259 HydrophobicContact CG2-CD2 4.47Å; V209-L266 HydrophobicContact CG1-CD2 3.62Å; V209-L281 HydrophobicContact CB-CD1 4.02Å; V209-L281 HydrophobicContact CG2-CD1 3.59Å; V209-C283 PolarHBondContact N-O 2.86Å; V209-C283 VanDerWaalsContact N-O 3.07Å; V209-L284 HydrophobicContact CB-CD1 4.18Å; V209-L284 HydrophobicContact CG1-CD1 3.85Å; V209-I285 PolarHBondContact O-N 3.18Å
210I97.7Very high90.4Very high0 Ų029 Ų290%014%0.136CC..EExtended strand (participates in β ladder)trans-115.1115.6176.2-47.9-173.2000108.3F187 L188 V208 T221 L259 V260 A261 I285F187-I210 HydrophobicContact CE2-CD1 4.26Å; F187-I210 HydrophobicContact CE2-CG2 4.05Å; F187-I210 HydrophobicContact CZ-CG2 4.49Å; L188-I210 HydrophobicContact CD2-CD1 3.5Å; L188-I210 VanDerWaalsContact CD2-CD1 3.5Å; V208-I210 HydrophobicContact CG1-CD1 4.45Å; V208-I210 HydrophobicContact CG1-CG1 3.96Å; I210-T221 HydrophobicContact CG2-CG2 4.23Å; I210-L259 PolarHBondContact N-O 2.96Å; I210-V260 HydrophobicContact CB-CG1 4.47Å; I210-V260 HydrophobicContact CB-CG2 4.41Å; I210-V260 HydrophobicContact CD1-CG2 4.36Å; I210-V260 CarbonylContact O-C 3.57Å; I210-V260 WeakPolarHBondContact O-CA 3.3Å; I210-A261 PolarHBondContact O-N 2.87Å; I210-I285 HydrophobicContact CB-CB 4.41Å; I210-I285 HydrophobicContact CD1-CD1 3.84Å; I210-I285 HydrophobicContact CG1-CB 4.3Å; I210-I285 HydrophobicContact CG1-CD1 3.73Å; I210-I285 HydrophobicContact CG1-CG1 4.4Å; I210-I285 HydrophobicContact CG2-CB 4.13Å; I210-I285 HydrophobicContact CG2-CG2 4.21Å
211L96.3Very high90.5Very high0 Ų028.2 Ų28.20%013%0.132CC..EExtended strand (participates in β ladder)trans-96.4125.6177.4-72.5177.8000111.1V209 A261 P263 L266 L284 I285 D287 I292 L301 I304V209-L211 HydrophobicContact CG1-CD2 4.42Å; V209-L211 HydrophobicContact CG1-CG 4.21Å; L211-A261 WeakPolarHBondContact CA-O 3.07Å; L211-A261 HydrophobicContact CD2-CB 4.3Å; L211-P263 HydrophobicContact CD2-CG 4.3Å; L211-L266 HydrophobicContact CD2-CB 4.36Å; L211-L266 HydrophobicContact CD2-CD2 3.72Å; L211-L266 HydrophobicContact CG-CD2 4.48Å; L211-L284 HydrophobicContact CD1-CD1 4.14Å; L211-L284 HydrophobicContact CG-CD1 4.37Å; L211-I285 PolarHBondContact N-O 2.9Å; L211-D287 PolarHBondContact O-N 3.36Å; L211-I292 HydrophobicContact CB-CD1 4.48Å; L211-L301 HydrophobicContact CD1-CD1 3.51Å; L211-I304 HydrophobicContact CD1-CD1 4.37Å; L211-I304 HydrophobicContact CD1-CG2 4.26Å; L211-I304 HydrophobicContact CD2-CD1 4.49Å
212S92.6Very high90.6Very high0 Ų026.4 Ų26.40%012%0.121CC..  trans-123139.8174-55.80000111.1T214 A261 P263S212-T214 VanDerWaalsContact C-N 3.33Å; S212-T214 PolarHBondContact O-N 3.36Å; S212-A261 PolarHBondContact N-O 3.46Å; S212-P263 WeakPolarHBondContact O-CD 3.32Å
213P87.3Confident90.8Very high6 Ų624.8 Ų24.84%0.03911%0.114CC..SBendtrans-64.1-30.2-17721-34.7000114.8L217 D287 E288 R291 I292P213-L217 HydrophobicContact CG-CD2 4.1Å; P213-D287 WeakPolarHBondContact CD-O 3.48Å; P213-E288 HydrophobicContact CG-CB 4.03Å; P213-R291 HydrophobicContact CB-CB 4.18Å; P213-R291 HydrophobicContact CB-CG 3.79Å; P213-R291 HydrophobicContact CG-CB 3.99Å; P213-R291 HydrophobicContact CG-CG 3.85Å; P213-I292 HydrophobicContact CB-CB 4.49Å; P213-I292 HydrophobicContact CB-CG1 3.67Å; P213-I292 HydrophobicContact CG-CG1 4.08Å
214T83.7Confident90.9Very high26 Ų2617 Ų1716%0.169%0.088CC..SBendtrans-121.6152.8-176.7700000111S212 E216 L217 A218S212-T214 VanDerWaalsContact C-N 3.33Å; S212-T214 PolarHBondContact O-N 3.36Å; T214-E216 PolarHBondContact O-N 3.13Å; T214-L217 WeakPolarHBondContact OG1-CB 3.35Å; T214-L217 PolarHBondContact OG1-N 3.44Å; T214-A218 WeakPolarHBondContact O-CB 3.42Å; T214-A218 PolarHBondContact O-N 3.37Å
215R83.6Confident91.1Very high79 Ų7914.7 Ų14.730%0.2988%0.075SC..Hα-helixtrans-60.3-34.9174.7-66.9-170.5176.41325.9112A218 M219 M240 G241 T262R215-A218 PolarHBondContact O-N 3.33Å; R215-M219 VanDerWaalsContact O-CG 3.32Å; R215-M219 WeakPolarHBondContact O-CG 3.49Å; R215-M219 PolarHBondContact O-N 3.08Å; R215-M240 HydrophobicContact CB-CB 4.47Å; R215-M240 HydrophobicContact CB-SD 3.79Å; R215-M240 HydrophobicContact CG-CB 4.06Å; R215-M240 HydrophobicContact CG-CG 4.27Å; R215-M240 HydrophobicContact CG-SD 4.14Å; R215-M240 PolarHBondContact NE-O 3.11Å; R215-G241 VanDerWaalsContact CZ-O 3.25Å; R215-G241 PolarHBondContact NE-O 3.47Å; R215-G241 PolarHBondContact NH2-O 3.13Å; R215-T262 HydrophobicContact CG-CG2 4.19Å
216E80.4Confident91.1Very high10 Ų1020.1 Ų20.15%0.04710%0.098CC..Hα-helixtrans-75.9-39.2-174.2-62.769.6-138.500111.4T214 A218 M219 Q220 Q415 R418 L443T214-E216 PolarHBondContact O-N 3.13Å; E216-A218 VanDerWaalsContact C-N 3.35Å; E216-M219 WeakPolarHBondContact O-CB 3.41Å; E216-M219 PolarHBondContact O-N 3.22Å; E216-Q220 WeakPolarHBondContact O-CB 3.27Å; E216-Q220 PolarHBondContact O-N 3.49Å; E216-Q415 PolarHBondContact OE1-NE2 3.32Å; E216-R418 IonicContact OE1-CZ 2.78Å; E216-R418 VanDerWaalsContact OE1-CZ 3.26Å; E216-R418 IonicContact OE1-NH1 3.66Å; E216-R418 PolarHBondContact OE1-NH1 3.11Å; E216-R418 IonicContact OE1-NH2 2.69Å; E216-R418 PolarHBondContact OE1-NH2 3.08Å; E216-R418 IonicContact OE2-CZ 3.74Å; E216-R418 IonicContact OE2-NH1 4Å; E216-R418 PolarHBondContact OE2-NH1 3.45Å; E216-R418 IonicContact OE2-NH2 3.67Å; E216-R418 PolarHBondContact OE2-NH2 3.44Å; E216-L443 HydrophobicContact CB-CD2 3.23Å; E216-L443 HydrophobicContact CG-CD2 4.01Å
217L83.3Confident90.9Very high6 Ų624.9 Ų24.93%0.03112%0.12CC..Hα-helixtrans-62.3-43.7168.9-177.850.9000110.8P213 T214 M219 Q220 T221 E288 G442P213-L217 HydrophobicContact CG-CD2 4.1Å; T214-L217 WeakPolarHBondContact OG1-CB 3.35Å; T214-L217 PolarHBondContact OG1-N 3.44Å; L217-M219 VanDerWaalsContact C-N 3.29Å; L217-M219 PolarHBondContact O-N 3.28Å; L217-Q220 PolarHBondContact O-N 3.41Å; L217-Q220 VanDerWaalsContact O-N 3.13Å; L217-T221 WeakPolarHBondContact O-CB 3.41Å; L217-T221 PolarHBondContact O-N 2.9Å; L217-T221 PolarHBondContact O-OG1 3.06Å; L217-E288 HydrophobicContact CD2-CB 4.25Å; L217-E288 HydrophobicContact CD2-CG 3.76Å; L217-G442 WeakPolarHBondContact CA-O 3.4Å; L217-G442 WeakPolarHBondContact CB-O 3.41Å; L217-G442 WeakPolarHBondContact CD1-O 3.3Å
218A90.4Very high90.6Very high0 Ų024.9 Ų24.90%012%0.12CC..Hα-helixtrans-59.4-39.5175.100000112.1T214 R215 E216 Y222 L238 V260 T262T214-A218 WeakPolarHBondContact O-CB 3.42Å; T214-A218 PolarHBondContact O-N 3.37Å; R215-A218 PolarHBondContact O-N 3.33Å; E216-A218 VanDerWaalsContact C-N 3.35Å; A218-Y222 WeakPolarHBondContact O-CB 3.47Å; A218-Y222 PolarHBondContact O-N 2.99Å; A218-L238 HydrophobicContact CB-CD1 3.72Å; A218-V260 HydrophobicContact CB-CG1 3.99Å; A218-V260 WeakPolarHBondContact O-CG1 3.49Å; A218-T262 HydrophobicContact CB-CG2 4.22Å
219M88.3Confident90.3Very high45 Ų4525.2 Ų25.222%0.22212%0.122CC..Hα-helixtrans-66.5-38.9173.4-76.5-172.570.200113.1R215 E216 L217 G223 L238 M240 T419 F423R215-M219 VanDerWaalsContact O-CG 3.32Å; R215-M219 WeakPolarHBondContact O-CG 3.49Å; R215-M219 PolarHBondContact O-N 3.08Å; E216-M219 WeakPolarHBondContact O-CB 3.41Å; E216-M219 PolarHBondContact O-N 3.22Å; L217-M219 VanDerWaalsContact C-N 3.29Å; L217-M219 PolarHBondContact O-N 3.28Å; M219-G223 PolarHBondContact O-N 3.06Å; M219-L238 HydrophobicContact CG-CD2 3.76Å; M219-M240 HydrophobicContact CG-CE 4.19Å; M219-M240 HydrophobicContact CG-SD 3.82Å; M219-M240 HydrophobicContact SD-CE 3.9Å; M219-M240 HydrophobicContact SD-SD 4.18Å; M219-T419 HydrophobicContact CE-CG2 3.63Å; M219-T419 HydrophobicContact SD-CG2 3.93Å; M219-F423 HydrophobicContact CE-CE2 3.78Å; M219-F423 HydrophobicContact CE-CZ 4.04Å
220Q85.4Confident89.9Confident34 Ų3428.2 Ų28.216%0.15915%0.147CC..Hα-helixtrans-69-51179.2-179.3-147-48.500111.4E216 L217 Y222 G223 V224 G442 D444E216-Q220 WeakPolarHBondContact O-CB 3.27Å; E216-Q220 PolarHBondContact O-N 3.49Å; L217-Q220 PolarHBondContact O-N 3.41Å; L217-Q220 VanDerWaalsContact O-N 3.13Å; Q220-Y222 PolarHBondContact O-N 3.14Å; Q220-G223 WeakPolarHBondContact O-CA 3.38Å; Q220-G223 PolarHBondContact O-N 3.46Å; Q220-V224 PolarHBondContact O-N 2.66Å; Q220-G442 PolarHBondContact OE1-O 2.69Å; Q220-D444 HydrophobicContact CG-CB 3.91Å; Q220-D444 VanDerWaalsContact OE1-CB 3.27Å
221T92Very high89.4Confident0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-61-35.1176-62.70000111T184 F187 I210 L217 G223 M225 V260T184-T221 HydrophobicContact CG2-CG2 4.12Å; F187-T221 HydrophobicContact CE2-CG2 3.89Å; F187-T221 HydrophobicContact CZ-CG2 4.07Å; I210-T221 HydrophobicContact CG2-CG2 4.23Å; L217-T221 WeakPolarHBondContact O-CB 3.41Å; L217-T221 PolarHBondContact O-N 2.9Å; L217-T221 PolarHBondContact O-OG1 3.06Å; T221-G223 VanDerWaalsContact C-N 3.34Å; T221-M225 WeakPolarHBondContact O-CB 3.29Å; T221-M225 PolarHBondContact O-N 3.4Å; T221-V260 HydrophobicContact CG2-CG1 4.5Å
222Y93.9Very high88.9Confident49 Ų4933 Ų3319%0.19217%0.17CC..Hα-helixtrans-65.9-31.5169.8-179.9-90.5000113.6A218 Q220 M225 K226 F236 G237 L238 V260A218-Y222 WeakPolarHBondContact O-CB 3.47Å; A218-Y222 PolarHBondContact O-N 2.99Å; Q220-Y222 PolarHBondContact O-N 3.14Å; Y222-M225 HydrophobicContact CD2-CE 3.44Å; Y222-M225 VanDerWaalsContact CD2-CE 3.44Å; Y222-M225 HydrophobicContact CE2-CE 3.93Å; Y222-M225 HydrophobicContact CG-CE 4.24Å; Y222-K226 VanDerWaalsContact O-CB 3.28Å; Y222-K226 WeakPolarHBondContact O-CB 3.42Å; Y222-K226 PolarHBondContact O-N 2.98Å; Y222-F236 HydrophobicContact CD2-CD2 4.44Å; Y222-F236 AromaticContact CE2-CD2 3.66Å; Y222-F236 HydrophobicContact CE2-CD2 3.66Å; Y222-F236 HydrophobicContact CE2-CE2 4.22Å; Y222-F236 AromaticContact CZ-CD2 3.91Å; Y222-G237 VanDerWaalsContact CE2-C 3.46Å; Y222-L238 HydrophobicContact CD2-CB 3.59Å; Y222-L238 HydrophobicContact CE2-CB 3.89Å; Y222-L238 HydrophobicContact CG-CB 3.94Å; Y222-L238 HydrophobicContact CG-CD2 4.32Å; Y222-V260 HydrophobicContact CD2-CG2 4.43Å
223G91.2Very high88.7Confident23 Ų2339.3 Ų39.324%0.23721%0.208CC..Hα-helixtrans-65.4-55.8172.700000112.2M219 Q220 T221 M225 K226 E227M219-G223 PolarHBondContact O-N 3.06Å; Q220-G223 WeakPolarHBondContact O-CA 3.38Å; Q220-G223 PolarHBondContact O-N 3.46Å; T221-G223 VanDerWaalsContact C-N 3.34Å; G223-M225 VanDerWaalsContact C-N 3.3Å; G223-M225 PolarHBondContact O-N 3.49Å; G223-K226 WeakPolarHBondContact O-CA 3.14Å; G223-K226 WeakPolarHBondContact O-CB 3.42Å; G223-K226 PolarHBondContact O-N 2.65Å; G223-E227 PolarHBondContact O-N 3.26Å; G223-E227 VanDerWaalsContact O-N 3.08Å
224V91.8Very high88.9Confident25 Ų2540.1 Ų40.115%0.15221%0.211CC..Hα-helixtrans-57.6-43.2177.2179.30000111.2M151 T184 L185 L188 Q220 K226 E227 L228M151-V224 HydrophobicContact CE-CG1 4.23Å; T184-V224 HydrophobicContact CG2-CB 4.18Å; T184-V224 HydrophobicContact CG2-CG1 4.1Å; T184-V224 HydrophobicContact CG2-CG2 4.34Å; L185-V224 HydrophobicContact CD2-CG1 3.75Å; L188-V224 HydrophobicContact CD1-CB 4.13Å; L188-V224 HydrophobicContact CD1-CG1 3.75Å; Q220-V224 PolarHBondContact O-N 2.66Å; V224-K226 VanDerWaalsContact C-N 3.35Å; V224-K226 PolarHBondContact O-N 2.88Å; V224-E227 PolarHBondContact O-N 2.53Å; V224-L228 HydrophobicContact CG1-CD1 4.5Å; V224-L228 PolarHBondContact O-N 2.78Å
225M94.3Very high89.3Confident0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-61.6-39.8174.8-177.7-17469.100112.4L188 T221 Y222 G223 E227 M229 F236 I258 V260L188-M225 HydrophobicContact CD1-CB 4.05Å; L188-M225 HydrophobicContact CD2-CB 3.99Å; L188-M225 HydrophobicContact CD2-CG 4.1Å; L188-M225 HydrophobicContact CD2-SD 4.49Å; T221-M225 WeakPolarHBondContact O-CB 3.29Å; T221-M225 PolarHBondContact O-N 3.4Å; Y222-M225 HydrophobicContact CD2-CE 3.44Å; Y222-M225 VanDerWaalsContact CD2-CE 3.44Å; Y222-M225 HydrophobicContact CE2-CE 3.93Å; Y222-M225 HydrophobicContact CG-CE 4.24Å; G223-M225 VanDerWaalsContact C-N 3.3Å; G223-M225 PolarHBondContact O-N 3.49Å; M225-E227 VanDerWaalsContact C-N 3.28Å; M225-E227 PolarHBondContact O-N 2.82Å; M225-M229 HydrophobicContact CG-CG 4.33Å; M225-M229 HydrophobicContact CG-SD 3.75Å; M225-M229 VanDerWaalsContact O-CB 3.26Å; M225-M229 WeakPolarHBondContact O-CB 3.16Å; M225-M229 VanDerWaalsContact O-CG 3.22Å; M225-M229 WeakPolarHBondContact O-CG 3.3Å; M225-M229 PolarHBondContact O-N 3.35Å; M225-M229 HydrophobicContact SD-SD 4.36Å; M225-F236 HydrophobicContact CE-CB 3.68Å; M225-F236 HydrophobicContact CE-CD2 3.71Å; M225-F236 HydrophobicContact CE-CG 4.02Å; M225-F236 HydrophobicContact SD-CB 4.35Å; M225-I258 HydrophobicContact SD-CB 4.24Å; M225-I258 HydrophobicContact SD-CG2 3.41Å; M225-I258 WeakPolarHBondContact SD-CG2 3.48Å; M225-V260 HydrophobicContact CE-CG2 3.75Å; M225-V260 HydrophobicContact SD-CG2 3.88Å
226K93.2Very high89.9Confident117 Ų11739.6 Ų39.651%0.50921%0.213SC..Hα-helixtrans-65.8-30.1176.5173176169.1-80.90112.6Y222 G223 V224 F236Y222-K226 VanDerWaalsContact O-CB 3.28Å; Y222-K226 WeakPolarHBondContact O-CB 3.42Å; Y222-K226 PolarHBondContact O-N 2.98Å; G223-K226 WeakPolarHBondContact O-CA 3.14Å; G223-K226 WeakPolarHBondContact O-CB 3.42Å; G223-K226 PolarHBondContact O-N 2.65Å; V224-K226 VanDerWaalsContact C-N 3.35Å; V224-K226 PolarHBondContact O-N 2.88Å; K226-F236 HydrophobicContact CB-CE2 3.85Å; K226-F236 HydrophobicContact CB-CZ 4.19Å; K226-F236 HydrophobicContact CG-CE2 4.05Å; K226-F236 HydrophobicContact CG-CZ 4.06Å
227E91.6Very high90.5Very high102 Ų10239.2 Ų39.248%0.47721%0.212SC..Hα-helixtrans-77.3-46.1176.6-74.9158-155.100111.1M151 G223 V224 M225 M229 A230M151-E227 HydrophobicContact CE-CB 4.06Å; M151-E227 HydrophobicContact SD-CB 4.22Å; G223-E227 PolarHBondContact O-N 3.26Å; G223-E227 VanDerWaalsContact O-N 3.08Å; V224-E227 PolarHBondContact O-N 2.53Å; M225-E227 VanDerWaalsContact C-N 3.28Å; M225-E227 PolarHBondContact O-N 2.82Å; E227-M229 VanDerWaalsContact C-N 3.29Å; E227-M229 PolarHBondContact O-N 2.92Å; E227-A230 WeakPolarHBondContact O-CB 3.41Å; E227-A230 PolarHBondContact O-N 2.9Å; E227-A230 VanDerWaalsContact O-N 3.17Å
228L91.5Very high91.1Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-57.8-41.1171.1-72176.4000112.6A147 I148 M151 L185 L188 I192 V224 A230A147-L228 VanDerWaalsContact CB-O 3.27Å; A147-L228 WeakPolarHBondContact CB-O 3.5Å; I148-L228 HydrophobicContact CG1-CD2 3.64Å; M151-L228 HydrophobicContact SD-CD2 3.85Å; M151-L228 HydrophobicContact SD-CG 4.22Å; L185-L228 HydrophobicContact CD2-CD1 3.86Å; L185-L228 HydrophobicContact CD2-CD2 4.2Å; L185-L228 HydrophobicContact CD2-CG 4.28Å; L188-L228 HydrophobicContact CB-CD1 3.64Å; L188-L228 HydrophobicContact CD1-CD1 3.93Å; L188-L228 HydrophobicContact CG-CD1 4.44Å; I192-L228 HydrophobicContact CD1-CB 3.93Å; I192-L228 HydrophobicContact CD1-CD1 4.11Å; V224-L228 HydrophobicContact CG1-CD1 4.5Å; V224-L228 PolarHBondContact O-N 2.78Å; L228-A230 PolarHBondContact O-N 2.98Å
229M90.6Very high91.3Very high6 Ų640.4 Ų40.43%0.0322%0.218CC..G310 helixtrans-83.115.8-179.7-63.7-177.177.800114I192 M225 E227 H231 D232 H234 F236 I258I192-M229 HydrophobicContact CD1-CG 3.85Å; I192-M229 HydrophobicContact CG1-CG 4.3Å; I192-M229 HydrophobicContact CG2-CG 4.42Å; M225-M229 HydrophobicContact CG-CG 4.33Å; M225-M229 HydrophobicContact CG-SD 3.75Å; M225-M229 VanDerWaalsContact O-CB 3.26Å; M225-M229 WeakPolarHBondContact O-CB 3.16Å; M225-M229 VanDerWaalsContact O-CG 3.22Å; M225-M229 WeakPolarHBondContact O-CG 3.3Å; M225-M229 PolarHBondContact O-N 3.35Å; M225-M229 HydrophobicContact SD-SD 4.36Å; E227-M229 VanDerWaalsContact C-N 3.29Å; E227-M229 PolarHBondContact O-N 2.92Å; M229-H231 PolarHBondContact O-N 3.47Å; M229-D232 HydrophobicContact CB-CB 3.85Å; M229-D232 HydrophobicContact CE-CB 4.18Å; M229-D232 HydrophobicContact CG-CB 4.27Å; M229-D232 WeakPolarHBondContact O-CB 3.4Å; M229-D232 PolarHBondContact O-N 3.33Å; M229-D232 VanDerWaalsContact O-N 3.17Å; M229-H234 HydrophobicContact CE-CB 3.7Å; M229-F236 HydrophobicContact CB-CD1 4.32Å; M229-F236 HydrophobicContact CB-CE1 4.06Å; M229-F236 HydrophobicContact CE-CB 4.33Å; M229-F236 HydrophobicContact CE-CD1 3.69Å; M229-F236 HydrophobicContact CE-CE1 4.44Å; M229-F236 HydrophobicContact CE-CG 4.38Å; M229-F236 HydrophobicContact SD-CB 3.95Å; M229-F236 HydrophobicContact SD-CD1 3.63Å; M229-F236 HydrophobicContact SD-CE1 4.32Å; M229-F236 HydrophobicContact SD-CG 3.92Å; M229-I258 HydrophobicContact CE-CD1 4.02Å; M229-I258 HydrophobicContact SD-CD1 4.03Å
230A89.7Confident91.6Very high65 Ų6539.3 Ų39.354%0.53721%0.213SC..G310 helixtrans-62-26.6-179.300000113.9E227 L228E227-A230 WeakPolarHBondContact O-CB 3.41Å; E227-A230 PolarHBondContact O-N 2.9Å; E227-A230 VanDerWaalsContact O-N 3.17Å; L228-A230 PolarHBondContact O-N 2.98Å
231H87Confident91.5Very high71 Ų7138.1 Ų38.133%0.32921%0.21SC..G310 helixtrans-109.214.5178.5-59.9-89.2000112.9H143 R146 E150 M229H143-H231 HydrophobicContact CB-CB 3.85Å; R146-H231 VanDerWaalsContact CD-CE1 3.48Å; R146-H231 WeakPolarHBondContact CD-CE1 3.33Å; E150-H231 VanDerWaalsContact CD-NE2 3.26Å; E150-H231 IonicContact OE1-CE1 3.85Å; E150-H231 PolarHBondContact OE1-CE1 3.28Å; E150-H231 IonicContact OE1-NE2 3.48Å; E150-H231 PolarHBondContact OE1-NE2 3.03Å; E150-H231 VanDerWaalsContact OE1-NE2 3.09Å; E150-H231 IonicContact OE2-CD2 3.58Å; E150-H231 IonicContact OE2-CE1 3.21Å; E150-H231 IonicContact OE2-NE2 2.78Å; E150-H231 PolarHBondContact OE2-NE2 3.08Å; M229-H231 PolarHBondContact O-N 3.47Å
232D85.7Confident91Very high29 Ų2941.7 Ų41.716%0.15525%0.246CC..  trans-101.2155.3-173.5-123.1-59.8000112.8H143 I192 N196 M229 H234H143-D232 IonicContact CD2-OD2 2.91Å; H143-D232 PolarHBondContact CD2-OD2 2.95Å; I192-D232 VanDerWaalsContact CG2-OD2 3.26Å; I192-D232 WeakPolarHBondContact CG2-OD2 3.22Å; N196-D232 PolarHBondContact OD1-OD1 3.05Å; M229-D232 HydrophobicContact CB-CB 3.85Å; M229-D232 HydrophobicContact CE-CB 4.18Å; M229-D232 HydrophobicContact CG-CB 4.27Å; M229-D232 WeakPolarHBondContact O-CB 3.4Å; M229-D232 PolarHBondContact O-N 3.33Å; M229-D232 VanDerWaalsContact O-N 3.17Å; D232-H234 IonicContact OD1-CE1 3.25Å; D232-H234 IonicContact OD1-CG 3.92Å; D232-H234 IonicContact OD1-ND1 2.95Å; D232-H234 PolarHBondContact OD1-ND1 2.65Å
233V86.9Confident90.5Very high133 Ų13341.4 Ų41.481%0.80625%0.252SS*.  trans-101.8-7.9178-63.10000113.8
234H91.9Very high90.2Very high22 Ų2245.5 Ų45.510%0.10227%0.268CS..SBendtrans-80.1145.5-171.3-6499.1000113.1I195 N196 F200 M229 D232I195-H234 HydrophobicContact CG2-CB 4.1Å; I195-H234 VanDerWaalsContact CG2-CD2 3.5Å; I195-H234 WeakPolarHBondContact CG2-CD2 3.22Å; N196-H234 PolarHBondContact OD1-CE1 2.89Å; N196-H234 PolarHBondContact OD1-ND1 3.13Å; F200-H234 PolarHBondContact O-CD2 2.78Å; F200-H234 PolarHBondContact O-NE2 2.79Å; M229-H234 HydrophobicContact CE-CB 3.7Å; D232-H234 IonicContact OD1-CE1 3.25Å; D232-H234 IonicContact OD1-CG 3.92Å; D232-H234 IonicContact OD1-ND1 2.95Å; D232-H234 PolarHBondContact OD1-ND1 2.65Å
235T93.3Very high90.2Very high46 Ų4648.2 Ų48.228%0.28228%0.276SS..  trans-82.5134.5-178.956.90000112P202 G255 V256 N257 I258P202-T235 HydrophobicContact CB-CG2 4.46Å; P202-T235 HydrophobicContact CG-CG2 3.79Å; T235-G255 PolarHBondContact OG1-O 2.63Å; T235-V256 WeakPolarHBondContact OG1-CA 3.42Å; T235-N257 PolarHBondContact N-OD1 2.99Å; T235-N257 WeakPolarHBondContact O-CA 3.38Å; T235-N257 WeakPolarHBondContact O-CB 3.46Å; T235-N257 PolarHBondContact O-N 3.34Å; T235-N257 PolarHBondContact OG1-N 3.27Å; T235-N257 VanDerWaalsContact OG1-N 3.11Å; T235-N257 PolarHBondContact OG1-OD1 3.26Å; T235-I258 PolarHBondContact O-N 3.05Å
236F94.9Very high90Very high49 Ų4952.3 Ų52.322%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-129.5156.2179.658.8-89.4000113.7Y222 M225 K226 M229 R251 I258Y222-F236 HydrophobicContact CD2-CD2 4.44Å; Y222-F236 AromaticContact CE2-CD2 3.66Å; Y222-F236 HydrophobicContact CE2-CD2 3.66Å; Y222-F236 HydrophobicContact CE2-CE2 4.22Å; Y222-F236 AromaticContact CZ-CD2 3.91Å; M225-F236 HydrophobicContact CE-CB 3.68Å; M225-F236 HydrophobicContact CE-CD2 3.71Å; M225-F236 HydrophobicContact CE-CG 4.02Å; M225-F236 HydrophobicContact SD-CB 4.35Å; K226-F236 HydrophobicContact CB-CE2 3.85Å; K226-F236 HydrophobicContact CB-CZ 4.19Å; K226-F236 HydrophobicContact CG-CE2 4.05Å; K226-F236 HydrophobicContact CG-CZ 4.06Å; M229-F236 HydrophobicContact CB-CD1 4.32Å; M229-F236 HydrophobicContact CB-CE1 4.06Å; M229-F236 HydrophobicContact CE-CB 4.33Å; M229-F236 HydrophobicContact CE-CD1 3.69Å; M229-F236 HydrophobicContact CE-CE1 4.44Å; M229-F236 HydrophobicContact CE-CG 4.38Å; M229-F236 HydrophobicContact SD-CB 3.95Å; M229-F236 HydrophobicContact SD-CD1 3.63Å; M229-F236 HydrophobicContact SD-CE1 4.32Å; M229-F236 HydrophobicContact SD-CG 3.92Å; F236-R251 PolarHBondContact O-NH2 3.37Å; F236-R251 VanDerWaalsContact O-NH2 3.07Å; F236-I258 CarbonylContact C-O 3.54Å; F236-I258 VanDerWaalsContact CA-O 3.23Å; F236-I258 WeakPolarHBondContact CA-O 3.47Å; F236-I258 HydrophobicContact CB-CB 4.37Å
237G94.3Very high89.9Confident2 Ų248.9 Ų48.92%0.02130%0.298CS..EExtended strand (participates in β ladder)trans-152.6161.6-170.700000115Y222 I258 V260Y222-G237 VanDerWaalsContact CE2-C 3.46Å; G237-I258 PolarHBondContact N-O 3.45Å; G237-V260 PolarHBondContact O-N 3.36Å
238L95.6Very high90Very high26 Ų2644.7 Ų44.714%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-132.3128.1175.2173.463.8000108.3A218 M219 Y222 M240 V260A218-L238 HydrophobicContact CB-CD1 3.72Å; M219-L238 HydrophobicContact CG-CD2 3.76Å; Y222-L238 HydrophobicContact CD2-CB 3.59Å; Y222-L238 HydrophobicContact CE2-CB 3.89Å; Y222-L238 HydrophobicContact CG-CB 3.94Å; Y222-L238 HydrophobicContact CG-CD2 4.32Å; L238-M240 HydrophobicContact CD1-CB 4.47Å; L238-M240 HydrophobicContact CD2-SD 4.19Å; L238-V260 VanDerWaalsContact CA-O 3.31Å; L238-V260 WeakPolarHBondContact CA-O 3.48Å; L238-V260 HydrophobicContact CD1-CB 4.14Å; L238-V260 HydrophobicContact CD1-CG1 4.24Å
239I95.3Very high90.1Very high4 Ų445.6 Ų45.62%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-128.6127.717161.9178.7000110E248 L252 L259 V260 A261 T262 R265 L266 H269I239-E248 WeakPolarHBondContact CA-OE1 3.36Å; I239-E248 HydrophobicContact CG2-CB 3.94Å; I239-E248 HydrophobicContact CG2-CG 3.93Å; I239-L252 HydrophobicContact CD1-CD1 4.28Å; I239-L252 HydrophobicContact CG2-CD1 4.45Å; I239-L259 HydrophobicContact CD1-CD1 4.19Å; I239-L259 HydrophobicContact CD1-CD2 3.91Å; I239-L259 HydrophobicContact CD1-CG 4.35Å; I239-L259 HydrophobicContact CG1-CD1 4.03Å; I239-L259 HydrophobicContact CG1-CG 4.44Å; I239-L259 HydrophobicContact CG2-CD1 4.15Å; I239-V260 PolarHBondContact N-O 2.84Å; I239-A261 HydrophobicContact CD1-CB 4.14Å; I239-A261 HydrophobicContact CG1-CB 3.61Å; I239-A261 VanDerWaalsContact O-CA 3.28Å; I239-A261 WeakPolarHBondContact O-CA 3.43Å; I239-T262 PolarHBondContact O-N 3.44Å; I239-R265 HydrophobicContact CB-CG 4.17Å; I239-R265 HydrophobicContact CG1-CG 4.45Å; I239-L266 HydrophobicContact CD1-CD1 3.94Å; I239-H269 HydrophobicContact CD1-CB 4.35Å
240M93Very high90.1Very high22 Ų2251.5 Ų51.511%0.10831%0.313CS..  trans-147.60.3-168.270.6174178.700117.3R215 M219 L238 E248 T262R215-M240 HydrophobicContact CB-CB 4.47Å; R215-M240 HydrophobicContact CB-SD 3.79Å; R215-M240 HydrophobicContact CG-CB 4.06Å; R215-M240 HydrophobicContact CG-CG 4.27Å; R215-M240 HydrophobicContact CG-SD 4.14Å; R215-M240 PolarHBondContact NE-O 3.11Å; M219-M240 HydrophobicContact CG-CE 4.19Å; M219-M240 HydrophobicContact CG-SD 3.82Å; M219-M240 HydrophobicContact SD-CE 3.9Å; M219-M240 HydrophobicContact SD-SD 4.18Å; L238-M240 HydrophobicContact CD1-CB 4.47Å; L238-M240 HydrophobicContact CD2-SD 4.19Å; M240-E248 PolarHBondContact N-OE1 3.36Å; M240-T262 WeakPolarHBondContact CA-OG1 3.14Å; M240-T262 HydrophobicContact CB-CG2 4.11Å; M240-T262 PolarHBondContact O-OG1 3.13Å
241G84.8Confident90.2Very high9 Ų954 Ų549%0.09331%0.309CS..SBendtrans71.3157.2-178.600000112.5R215 S243R215-G241 VanDerWaalsContact CZ-O 3.25Å; R215-G241 PolarHBondContact NE-O 3.47Å; R215-G241 PolarHBondContact NH2-O 3.13Å; G241-S243 PolarHBondContact O-N 3.35Å
242G80.6Confident90.5Very high75 Ų7550.9 Ų50.977%0.77329%0.294SS*.SBendtrans70.7-25.7-165.200000113.6
243S82.4Confident90.8Very high43 Ų4352 Ų5230%0.30131%0.308SS..SBendtrans-64.2160156.8-61.70000112.6G241 R245 E248 R265G241-S243 PolarHBondContact O-N 3.35Å; S243-R245 PolarHBondContact O-N 2.84Å; S243-E248 WeakPolarHBondContact CB-OE1 3.15Å; S243-E248 PolarHBondContact OG-OE1 3.31Å; S243-R265 PolarHBondContact O-NH2 3.42Å
244N86.5Confident90.9Very high110 Ų11051.3 Ų51.359%0.58830%0.3SS*.  trans-70.3112.8176.7-179.1-11.4000111.5S246 A247 E248N244-S246 VanDerWaalsContact C-N 3.32Å; N244-S246 PolarHBondContact O-N 3.07Å; N244-S246 WeakPolarHBondContact OD1-CB 3.36Å; N244-S246 PolarHBondContact OD1-N 2.95Å; N244-A247 HydrophobicContact CB-CB 4.28Å; N244-A247 PolarHBondContact O-N 2.8Å; N244-E248 PolarHBondContact O-N 3.28Å; N244-E248 VanDerWaalsContact O-N 3.13Å
245R91.8Very high90.9Very high82 Ų8250.7 Ų50.731%0.30930%0.299SS..Hα-helixtrans-60.8-35.7-178.8-167.8-176.3-176.3-76.8-8.4113.6S243 E248 A249 R265 D268 N272S243-R245 PolarHBondContact O-N 2.84Å; R245-E248 PolarHBondContact O-N 3.17Å; R245-A249 VanDerWaalsContact O-CB 3.29Å; R245-A249 WeakPolarHBondContact O-CB 3.35Å; R245-A249 PolarHBondContact O-N 3.03Å; R245-R265 VanDerWaalsContact CA-NH2 3.33Å; R245-D268 IonicContact CZ-OD1 2.7Å; R245-D268 VanDerWaalsContact CZ-OD1 3.25Å; R245-D268 IonicContact CZ-OD2 2.72Å; R245-D268 VanDerWaalsContact NE-CG 3.31Å; R245-D268 IonicContact NE-OD1 3.79Å; R245-D268 PolarHBondContact NE-OD1 2.83Å; R245-D268 IonicContact NE-OD2 3.3Å; R245-D268 PolarHBondContact NE-OD2 3.11Å; R245-D268 PolarHBondContact NH2-O 3.12Å; R245-D268 IonicContact NH2-OD1 2.89Å; R245-D268 PolarHBondContact NH2-OD1 2.82Å; R245-D268 IonicContact NH2-OD2 3.04Å; R245-N272 PolarHBondContact NH1-O 2.89Å; R245-N272 VanDerWaalsContact NH2-CB 3.27Å; R245-N272 PolarHBondContact NH2-O 3.36Å
246S90.2Very high90.9Very high85 Ų8548.8 Ų48.859%0.59429%0.288SS*.Hα-helixtrans-67.5-43.9-178.5-177.60000111.1N244 A249 Q250N244-S246 VanDerWaalsContact C-N 3.32Å; N244-S246 PolarHBondContact O-N 3.07Å; N244-S246 WeakPolarHBondContact OD1-CB 3.36Å; N244-S246 PolarHBondContact OD1-N 2.95Å; S246-A249 PolarHBondContact O-N 2.93Å; S246-Q250 PolarHBondContact O-N 3.3Å
247A90.8Very high91Very high46 Ų4646.5 Ų46.538%0.3828%0.278SS..Hα-helixtrans-67.1-36.4175.500000112.8N244 R251N244-A247 HydrophobicContact CB-CB 4.28Å; N244-A247 PolarHBondContact O-N 2.8Å; A247-R251 WeakPolarHBondContact O-CG 3.27Å; A247-R251 PolarHBondContact O-N 3.12Å
248E93.7Very high91.1Very high14 Ų1446.4 Ų46.47%0.06528%0.277CS..Hα-helixtrans-65.2-47.5172.4-71.5175.5152.400110.9I239 M240 S243 N244 R245 Q250 R251 L252 R265 H269I239-E248 WeakPolarHBondContact CA-OE1 3.36Å; I239-E248 HydrophobicContact CG2-CB 3.94Å; I239-E248 HydrophobicContact CG2-CG 3.93Å; M240-E248 PolarHBondContact N-OE1 3.36Å; S243-E248 WeakPolarHBondContact CB-OE1 3.15Å; S243-E248 PolarHBondContact OG-OE1 3.31Å; N244-E248 PolarHBondContact O-N 3.28Å; N244-E248 VanDerWaalsContact O-N 3.13Å; R245-E248 PolarHBondContact O-N 3.17Å; E248-Q250 PolarHBondContact O-N 3.49Å; E248-R251 PolarHBondContact O-N 2.91Å; E248-L252 WeakPolarHBondContact O-CG 3.35Å; E248-L252 PolarHBondContact O-N 3.03Å; E248-R265 IonicContact OE2-CZ 3.04Å; E248-R265 IonicContact OE2-NE 3.6Å; E248-R265 PolarHBondContact OE2-NE 3.46Å; E248-R265 IonicContact OE2-NH2 3.89Å; E248-R265 PolarHBondContact OE2-NH2 3.42Å; E248-H269 IonicContact OE2-NE2 3.73Å
249A92.9Very high91.2Very high19 Ų1945.2 Ų45.216%0.15727%0.27CS..Hα-helixtrans-59-44.9177.600000112.9R245 S246 R251 L252 A253 T273R245-A249 VanDerWaalsContact O-CB 3.29Å; R245-A249 WeakPolarHBondContact O-CB 3.35Å; R245-A249 PolarHBondContact O-N 3.03Å; S246-A249 PolarHBondContact O-N 2.93Å; A249-R251 VanDerWaalsContact C-N 3.35Å; A249-R251 PolarHBondContact O-N 2.9Å; A249-L252 PolarHBondContact O-N 2.88Å; A249-A253 PolarHBondContact O-N 2.92Å; A249-T273 HydrophobicContact CB-CG2 3.78Å
250Q91.5Very high91.3Very high130 Ų13045 Ų4561%0.60727%0.269SS*.Hα-helixtrans-62.4-40176.6-170-178.113.500111.9S246 E248 A253 N254S246-Q250 PolarHBondContact O-N 3.3Å; E248-Q250 PolarHBondContact O-N 3.49Å; Q250-A253 PolarHBondContact O-N 3.48Å; Q250-N254 VanDerWaalsContact O-CG 3.23Å; Q250-N254 PolarHBondContact O-N 2.85Å; Q250-N254 VanDerWaalsContact O-N 3.11Å; Q250-N254 PolarHBondContact O-OD1 2.93Å
251R91.4Very high91.4Very high117 Ų11744 Ų4444%0.44226%0.264SS..Hα-helixtrans-63.9-41.8174.7-76.5-178.168.2-1782.3112.2F236 A247 E248 A249 N254 G255F236-R251 PolarHBondContact O-NH2 3.37Å; F236-R251 VanDerWaalsContact O-NH2 3.07Å; A247-R251 WeakPolarHBondContact O-CG 3.27Å; A247-R251 PolarHBondContact O-N 3.12Å; E248-R251 PolarHBondContact O-N 2.91Å; A249-R251 VanDerWaalsContact C-N 3.35Å; A249-R251 PolarHBondContact O-N 2.9Å; R251-N254 PolarHBondContact O-N 3.26Å; R251-G255 PolarHBondContact O-N 3.26Å
252L94Very high91.9Very high5 Ų544.1 Ų44.13%0.02626%0.264CS..Hα-helixtrans-65.6-40178.3-67.2176.3000112.1I239 E248 A249 N254 G255 V256 L259 H269 F276I239-L252 HydrophobicContact CD1-CD1 4.28Å; I239-L252 HydrophobicContact CG2-CD1 4.45Å; E248-L252 WeakPolarHBondContact O-CG 3.35Å; E248-L252 PolarHBondContact O-N 3.03Å; A249-L252 PolarHBondContact O-N 2.88Å; L252-N254 VanDerWaalsContact C-N 3.32Å; L252-N254 PolarHBondContact O-N 3.05Å; L252-G255 PolarHBondContact O-N 3.31Å; L252-V256 HydrophobicContact CD2-CB 4.49Å; L252-V256 HydrophobicContact CD2-CG2 4.43Å; L252-L259 HydrophobicContact CD2-CD1 3.94Å; L252-L259 HydrophobicContact CD2-CD2 3.88Å; L252-H269 HydrophobicContact CD1-CB 3.8Å; L252-F276 HydrophobicContact CB-CB 4.42Å; L252-F276 HydrophobicContact CB-CD2 3.87Å; L252-F276 HydrophobicContact CB-CE2 4.46Å; L252-F276 HydrophobicContact CB-CG 4.24Å; L252-F276 HydrophobicContact CD1-CD1 4.29Å; L252-F276 HydrophobicContact CD1-CD2 4.22Å; L252-F276 HydrophobicContact CD1-CE1 4.4Å; L252-F276 HydrophobicContact CD1-CE2 4.35Å; L252-F276 HydrophobicContact CD1-CG 4.2Å; L252-F276 HydrophobicContact CD1-CZ 4.44Å; L252-F276 HydrophobicContact CD2-CD2 4.1Å; L252-F276 HydrophobicContact CD2-CE2 3.81Å; L252-F276 HydrophobicContact CD2-CZ 4.32Å; L252-F276 HydrophobicContact CG-CD2 4.28Å; L252-F276 HydrophobicContact CG-CE2 4.43Å
253A90.6Very high92.6Very high54 Ų5440.6 Ų40.645%0.44623%0.227SC..Hα-helixtrans-66-31.7175.500000113.1A249 Q250 G255A249-A253 PolarHBondContact O-N 2.92Å; Q250-A253 PolarHBondContact O-N 3.48Å; A253-G255 PolarHBondContact O-N 2.92Å
254N90.1Very high93.1Very high117 Ų11740.1 Ų40.163%0.62623%0.229SC*.THydrogen-bonded Turntrans-73.1-10.3174.7-70.7-2.7000114Q250 R251 L252Q250-N254 VanDerWaalsContact O-CG 3.23Å; Q250-N254 PolarHBondContact O-N 2.85Å; Q250-N254 VanDerWaalsContact O-N 3.11Å; Q250-N254 PolarHBondContact O-OD1 2.93Å; R251-N254 PolarHBondContact O-N 3.26Å; L252-N254 VanDerWaalsContact C-N 3.32Å; L252-N254 PolarHBondContact O-N 3.05Å
255G90.4Very high93.5Very high9 Ų936.4 Ų36.49%0.09321%0.206CC..  trans93.8106.2179.800000114.1P202 T235 R251 L252 A253P202-G255 VanDerWaalsContact O-CA 3.29Å; P202-G255 WeakPolarHBondContact O-CA 3.25Å; T235-G255 PolarHBondContact OG1-O 2.63Å; R251-G255 PolarHBondContact O-N 3.26Å; L252-G255 PolarHBondContact O-N 3.31Å; A253-G255 PolarHBondContact O-N 2.92Å
256V94.9Very high93.8Very high6 Ų632.5 Ų32.54%0.03619%0.192CC..  trans-115116.8172.41740000108.3G205 T206 T235 L252 I258 L259G205-V256 CarbonylContact C-O 3.46Å; T206-V256 WeakPolarHBondContact CA-O 3.42Å; T206-V256 VanDerWaalsContact CB-O 3.31Å; T206-V256 WeakPolarHBondContact CB-O 3.48Å; T206-V256 PolarHBondContact N-O 3.04Å; T206-V256 PolarHBondContact OG1-O 3.21Å; T235-V256 WeakPolarHBondContact OG1-CA 3.42Å; L252-V256 HydrophobicContact CD2-CB 4.49Å; L252-V256 HydrophobicContact CD2-CG2 4.43Å; V256-I258 VanDerWaalsContact CG1-O 3.25Å; V256-I258 WeakPolarHBondContact CG1-O 3.48Å; V256-L259 HydrophobicContact CG1-CB 4.32Å; V256-L259 HydrophobicContact CG1-CD1 4.31Å
257N95.8Very high94Very high1 Ų129 Ų291%0.00517%0.167CC..SBendtrans-75.3-41.7-177.7-59.3131.9000113.5M201 G205 G207 V208 T235M201-N257 PolarHBondContact O-ND2 3.44Å; G205-N257 WeakPolarHBondContact O-CA 3.48Å; G205-N257 PolarHBondContact O-ND2 3.2Å; G207-N257 PolarHBondContact N-O 3.34Å; V208-N257 PolarHBondContact N-O 3.01Å; V208-N257 VanDerWaalsContact N-O 3.13Å; T235-N257 PolarHBondContact N-OD1 2.99Å; T235-N257 WeakPolarHBondContact O-CA 3.38Å; T235-N257 WeakPolarHBondContact O-CB 3.46Å; T235-N257 PolarHBondContact O-N 3.34Å; T235-N257 PolarHBondContact OG1-N 3.27Å; T235-N257 VanDerWaalsContact OG1-N 3.11Å; T235-N257 PolarHBondContact OG1-OD1 3.26Å
258I96.9Very high94.3Very high1 Ų128.5 Ų28.51%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-120.3122.3178.5-53.7-175.6000110I192 I195 V208 M225 M229 T235 F236 G237 V256I192-I258 HydrophobicContact CB-CD1 4.44Å; I192-I258 HydrophobicContact CG1-CD1 3.87Å; I195-I258 HydrophobicContact CB-CD1 4.43Å; I195-I258 HydrophobicContact CG1-CD1 4.21Å; I195-I258 HydrophobicContact CG1-CG1 4.12Å; I195-I258 HydrophobicContact CG2-CD1 4.38Å; V208-I258 HydrophobicContact CB-CB 4.4Å; V208-I258 HydrophobicContact CB-CG1 4.18Å; V208-I258 HydrophobicContact CB-CG2 4.03Å; V208-I258 HydrophobicContact CG1-CG2 4.08Å; V208-I258 HydrophobicContact CG2-CG1 4.31Å; M225-I258 HydrophobicContact SD-CB 4.24Å; M225-I258 HydrophobicContact SD-CG2 3.41Å; M225-I258 WeakPolarHBondContact SD-CG2 3.48Å; M229-I258 HydrophobicContact CE-CD1 4.02Å; M229-I258 HydrophobicContact SD-CD1 4.03Å; T235-I258 PolarHBondContact O-N 3.05Å; F236-I258 CarbonylContact C-O 3.54Å; F236-I258 VanDerWaalsContact CA-O 3.23Å; F236-I258 WeakPolarHBondContact CA-O 3.47Å; F236-I258 HydrophobicContact CB-CB 4.37Å; G237-I258 PolarHBondContact N-O 3.45Å; V256-I258 VanDerWaalsContact CG1-O 3.25Å; V256-I258 WeakPolarHBondContact CG1-O 3.48Å
259L97.1Very high94.4Very high0 Ų027.9 Ų27.90%015%0.154CC..EExtended strand (participates in β ladder)trans-124.9114.6-170.2-17862.5000112T206 V208 V209 I210 I239 L252 V256 L266 F276T206-L259 HydrophobicContact CG2-CB 3.7Å; T206-L259 HydrophobicContact CG2-CD2 4.35Å; V208-L259 PolarHBondContact O-N 3.36Å; V209-L259 WeakPolarHBondContact CA-O 3.38Å; V209-L259 HydrophobicContact CG2-CB 4.46Å; V209-L259 HydrophobicContact CG2-CD2 4.47Å; I210-L259 PolarHBondContact N-O 2.96Å; I239-L259 HydrophobicContact CD1-CD1 4.19Å; I239-L259 HydrophobicContact CD1-CD2 3.91Å; I239-L259 HydrophobicContact CD1-CG 4.35Å; I239-L259 HydrophobicContact CG1-CD1 4.03Å; I239-L259 HydrophobicContact CG1-CG 4.44Å; I239-L259 HydrophobicContact CG2-CD1 4.15Å; L252-L259 HydrophobicContact CD2-CD1 3.94Å; L252-L259 HydrophobicContact CD2-CD2 3.88Å; V256-L259 HydrophobicContact CG1-CB 4.32Å; V256-L259 HydrophobicContact CG1-CD1 4.31Å; L259-L266 HydrophobicContact CD2-CD1 3.99Å; L259-F276 HydrophobicContact CD2-CE2 4.17Å; L259-F276 HydrophobicContact CD2-CZ 3.77Å
260V97.7Very high94.5Very high0 Ų027.7 Ų27.70%015%0.151CC..EExtended strand (participates in β ladder)trans-89132.7168.8-168.10000109.2I210 A218 T221 Y222 M225 G237 L238 I239I210-V260 HydrophobicContact CB-CG1 4.47Å; I210-V260 HydrophobicContact CB-CG2 4.41Å; I210-V260 HydrophobicContact CD1-CG2 4.36Å; I210-V260 CarbonylContact O-C 3.57Å; I210-V260 WeakPolarHBondContact O-CA 3.3Å; A218-V260 HydrophobicContact CB-CG1 3.99Å; A218-V260 WeakPolarHBondContact O-CG1 3.49Å; T221-V260 HydrophobicContact CG2-CG1 4.5Å; Y222-V260 HydrophobicContact CD2-CG2 4.43Å; M225-V260 HydrophobicContact CE-CG2 3.75Å; M225-V260 HydrophobicContact SD-CG2 3.88Å; G237-V260 PolarHBondContact O-N 3.36Å; L238-V260 VanDerWaalsContact CA-O 3.31Å; L238-V260 WeakPolarHBondContact CA-O 3.48Å; L238-V260 HydrophobicContact CD1-CB 4.14Å; L238-V260 HydrophobicContact CD1-CG1 4.24Å; I239-V260 PolarHBondContact N-O 2.84Å
261A96.2Very high94.6Very high0 Ų026.3 Ų26.30%014%0.144CC..EExtended strand (participates in β ladder)trans-148.1153.6-172.700000114.9I210 L211 S212 I239 L266I210-A261 PolarHBondContact O-N 2.87Å; L211-A261 WeakPolarHBondContact CA-O 3.07Å; L211-A261 HydrophobicContact CD2-CB 4.3Å; S212-A261 PolarHBondContact N-O 3.46Å; I239-A261 HydrophobicContact CD1-CB 4.14Å; I239-A261 HydrophobicContact CG1-CB 3.61Å; I239-A261 VanDerWaalsContact O-CA 3.28Å; I239-A261 WeakPolarHBondContact O-CA 3.43Å; A261-L266 HydrophobicContact CB-CB 3.99Å; A261-L266 HydrophobicContact CB-CD1 4.45Å
262T94.8Very high94.7Very high13 Ų1325.1 Ų25.18%0.0815%0.146CC..  trans-92.1140.2162.160.80000110.3R215 A218 I239 M240 G264 R265 L266R215-T262 HydrophobicContact CG-CG2 4.19Å; A218-T262 HydrophobicContact CB-CG2 4.22Å; I239-T262 PolarHBondContact O-N 3.44Å; M240-T262 WeakPolarHBondContact CA-OG1 3.14Å; M240-T262 HydrophobicContact CB-CG2 4.11Å; M240-T262 PolarHBondContact O-OG1 3.13Å; T262-G264 PolarHBondContact O-N 2.97Å; T262-R265 PolarHBondContact O-N 2.9Å; T262-R265 VanDerWaalsContact O-N 3.1Å; T262-L266 PolarHBondContact O-N 2.81Å
263P94.6Very high94.7Very high0 Ų025.6 Ų25.60%015%0.15CC..Hα-helixtrans-49.9-57.7-170.1-31.234.8000114.9L211 S212 R265 L266 L267 I292 F297 E300 I304L211-P263 HydrophobicContact CD2-CG 4.3Å; S212-P263 WeakPolarHBondContact O-CD 3.32Å; P263-R265 PolarHBondContact O-N 3.16Å; P263-R265 VanDerWaalsContact O-N 3.12Å; P263-L266 PolarHBondContact O-N 2.87Å; P263-L267 PolarHBondContact O-N 3.37Å; P263-I292 HydrophobicContact CG-CG2 4.08Å; P263-F297 HydrophobicContact CB-CB 4.17Å; P263-F297 HydrophobicContact CB-CG 4.31Å; P263-F297 HydrophobicContact CG-CB 4.32Å; P263-F297 HydrophobicContact CG-CD2 4.23Å; P263-F297 HydrophobicContact CG-CG 4.44Å; P263-E300 HydrophobicContact CB-CB 4.46Å; P263-I304 HydrophobicContact CB-CD1 3.92Å; P263-I304 WeakPolarHBondContact O-CD1 3.34Å
264G93.8Very high94.5Very high33 Ų3328.7 Ų28.734%0.3417%0.165SC..Hα-helixtrans-59.8-27.1-177.600000114.6T262 D268T262-G264 PolarHBondContact O-N 2.97Å; G264-D268 PolarHBondContact O-N 2.7Å
265R94.6Very high94.4Very high32 Ų3226 Ų2612%0.12117%0.165CC..Hα-helixtrans-82.7-36.1174.5-176.553.5146.7-142.5-21112.6I239 S243 R245 E248 T262 P263 L267 D268 H269I239-R265 HydrophobicContact CB-CG 4.17Å; I239-R265 HydrophobicContact CG1-CG 4.45Å; S243-R265 PolarHBondContact O-NH2 3.42Å; R245-R265 VanDerWaalsContact CA-NH2 3.33Å; E248-R265 IonicContact OE2-CZ 3.04Å; E248-R265 IonicContact OE2-NE 3.6Å; E248-R265 PolarHBondContact OE2-NE 3.46Å; E248-R265 IonicContact OE2-NH2 3.89Å; E248-R265 PolarHBondContact OE2-NH2 3.42Å; T262-R265 PolarHBondContact O-N 2.9Å; T262-R265 VanDerWaalsContact O-N 3.1Å; P263-R265 PolarHBondContact O-N 3.16Å; P263-R265 VanDerWaalsContact O-N 3.12Å; R265-L267 VanDerWaalsContact C-N 3.29Å; R265-D268 IonicContact CZ-OD2 2.68Å; R265-D268 IonicContact NE-OD2 3.25Å; R265-D268 IonicContact NH1-OD2 3.54Å; R265-D268 PolarHBondContact NH1-OD2 2.99Å; R265-H269 PolarHBondContact NE-NE2 3.4Å; R265-H269 PolarHBondContact O-CD2 2.92Å; R265-H269 VanDerWaalsContact O-CD2 3.31Å; R265-H269 PolarHBondContact O-N 2.92Å; R265-H269 VanDerWaalsContact O-N 3.14Å
266L96.8Very high94.6Very high0 Ų026.1 Ų26.10%016%0.163CC..Hα-helixtrans-61.1-43.2172-177.465.3000110.4V209 L211 I239 L259 A261 T262 P263 D268 H269 L270 F276 I304V209-L266 HydrophobicContact CG1-CD2 3.62Å; L211-L266 HydrophobicContact CD2-CB 4.36Å; L211-L266 HydrophobicContact CD2-CD2 3.72Å; L211-L266 HydrophobicContact CG-CD2 4.48Å; I239-L266 HydrophobicContact CD1-CD1 3.94Å; L259-L266 HydrophobicContact CD2-CD1 3.99Å; A261-L266 HydrophobicContact CB-CB 3.99Å; A261-L266 HydrophobicContact CB-CD1 4.45Å; T262-L266 PolarHBondContact O-N 2.81Å; P263-L266 PolarHBondContact O-N 2.87Å; L266-D268 PolarHBondContact O-N 2.87Å; L266-H269 CarbonylContact O-C 3.58Å; L266-H269 PolarHBondContact O-N 3.11Å; L266-H269 VanDerWaalsContact O-N 3.12Å; L266-L270 HydrophobicContact CD1-CD1 4.44Å; L266-L270 HydrophobicContact CD1-CG 4.19Å; L266-L270 HydrophobicContact CD2-CD1 4.19Å; L266-L270 HydrophobicContact CG-CD1 3.83Å; L266-L270 HydrophobicContact CG-CG 4.05Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.25Å; L266-F276 HydrophobicContact CD1-CE1 4.15Å; L266-F276 HydrophobicContact CD1-CZ 4.17Å; L266-I304 HydrophobicContact CB-CD1 4.42Å; L266-I304 HydrophobicContact CD2-CD1 4.34Å; L266-I304 HydrophobicContact CD2-CG1 4.44Å; L266-I304 HydrophobicContact CD2-CG2 3.85Å
267L96Very high94.5Very high13 Ų1329.9 Ų29.97%0.06818%0.181CC..Hα-helixtrans-60.7-46.2179.9-174.759.9000112.5P263 R265 H269 L270 Q271 E300 Q303 I304 L307P263-L267 PolarHBondContact O-N 3.37Å; R265-L267 VanDerWaalsContact C-N 3.29Å; L267-H269 VanDerWaalsContact C-N 3.3Å; L267-H269 PolarHBondContact O-N 3.14Å; L267-L270 PolarHBondContact O-N 2.99Å; L267-Q271 HydrophobicContact CD1-CG 4.16Å; L267-Q271 WeakPolarHBondContact O-CB 3.5Å; L267-Q271 WeakPolarHBondContact O-CG 3.42Å; L267-Q271 PolarHBondContact O-N 3.4Å; L267-E300 HydrophobicContact CD2-CB 3.87Å; L267-E300 HydrophobicContact CD2-CG 3.75Å; L267-Q303 HydrophobicContact CD1-CB 3.79Å; L267-Q303 HydrophobicContact CD2-CB 4.14Å; L267-I304 HydrophobicContact CB-CD1 4.42Å; L267-I304 HydrophobicContact CB-CG1 4.15Å; L267-I304 HydrophobicContact CD1-CG1 4.24Å; L267-L307 HydrophobicContact CD1-CD1 3.8Å
268D95.4Very high94.4Very high35 Ų3531.5 Ų31.519%0.18719%0.188CC..Hα-helixtrans-53.7-45171.2170.226000111.7R245 G264 R265 L266 N272R245-D268 IonicContact CZ-OD1 2.7Å; R245-D268 VanDerWaalsContact CZ-OD1 3.25Å; R245-D268 IonicContact CZ-OD2 2.72Å; R245-D268 VanDerWaalsContact NE-CG 3.31Å; R245-D268 IonicContact NE-OD1 3.79Å; R245-D268 PolarHBondContact NE-OD1 2.83Å; R245-D268 IonicContact NE-OD2 3.3Å; R245-D268 PolarHBondContact NE-OD2 3.11Å; R245-D268 PolarHBondContact NH2-O 3.12Å; R245-D268 IonicContact NH2-OD1 2.89Å; R245-D268 PolarHBondContact NH2-OD1 2.82Å; R245-D268 IonicContact NH2-OD2 3.04Å; G264-D268 PolarHBondContact O-N 2.7Å; R265-D268 IonicContact CZ-OD2 2.68Å; R265-D268 IonicContact NE-OD2 3.25Å; R265-D268 IonicContact NH1-OD2 3.54Å; R265-D268 PolarHBondContact NH1-OD2 2.99Å; L266-D268 PolarHBondContact O-N 2.87Å; D268-N272 WeakPolarHBondContact O-CA 3.18Å; D268-N272 VanDerWaalsContact O-CB 3.29Å; D268-N272 WeakPolarHBondContact O-CB 3.49Å; D268-N272 PolarHBondContact O-N 2.88Å; D268-N272 PolarHBondContact O-ND2 2.87Å; D268-N272 PolarHBondContact OD1-ND2 2.82Å
269H96.1Very high94.2Very high0 Ų039.7 Ų39.70%022%0.224CC..Hα-helixtrans-71.6-39178.2-78.6-67.4000113.7I239 E248 L252 R265 L266 L267 Q271 T273 F276I239-H269 HydrophobicContact CD1-CB 4.35Å; E248-H269 IonicContact OE2-NE2 3.73Å; L252-H269 HydrophobicContact CD1-CB 3.8Å; R265-H269 PolarHBondContact NE-NE2 3.4Å; R265-H269 PolarHBondContact O-CD2 2.92Å; R265-H269 VanDerWaalsContact O-CD2 3.31Å; R265-H269 PolarHBondContact O-N 2.92Å; R265-H269 VanDerWaalsContact O-N 3.14Å; L266-H269 CarbonylContact O-C 3.58Å; L266-H269 PolarHBondContact O-N 3.11Å; L266-H269 VanDerWaalsContact O-N 3.12Å; L267-H269 VanDerWaalsContact C-N 3.3Å; L267-H269 PolarHBondContact O-N 3.14Å; H269-Q271 VanDerWaalsContact C-N 3.32Å; H269-Q271 PolarHBondContact O-N 2.85Å; H269-T273 WeakPolarHBondContact CA-OG1 3.26Å; H269-T273 PolarHBondContact ND1-OG1 2.89Å; H269-T273 WeakPolarHBondContact O-CB 3.27Å; H269-T273 PolarHBondContact O-N 2.95Å; H269-T273 PolarHBondContact O-OG1 3.42Å; H269-F276 HydrophobicContact CB-CD1 4.23Å; H269-F276 HydrophobicContact CB-CE1 4.26Å
270L95.2Very high94Very high15 Ų1542.7 Ų42.78%0.07924%0.24CC..Hα-helixtrans-63.2-35.2176.6-72.7172.2000112.9L266 L267 F276 F278 I304 L307 L308L266-L270 HydrophobicContact CD1-CD1 4.44Å; L266-L270 HydrophobicContact CD1-CG 4.19Å; L266-L270 HydrophobicContact CD2-CD1 4.19Å; L266-L270 HydrophobicContact CG-CD1 3.83Å; L266-L270 HydrophobicContact CG-CG 4.05Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.25Å; L267-L270 PolarHBondContact O-N 2.99Å; L270-F276 HydrophobicContact CD2-CD1 4.26Å; L270-F276 HydrophobicContact CD2-CE1 3.63Å; L270-F276 HydrophobicContact CD2-CZ 4.38Å; L270-F276 HydrophobicContact CG-CE1 4.12Å; L270-F278 HydrophobicContact CD2-CB 4.13Å; L270-F278 HydrophobicContact CD2-CD1 3.46Å; L270-F278 VanDerWaalsContact CD2-CD1 3.46Å; L270-F278 HydrophobicContact CD2-CD2 3.71Å; L270-F278 HydrophobicContact CD2-CE1 3.66Å; L270-F278 HydrophobicContact CD2-CE2 3.9Å; L270-F278 HydrophobicContact CD2-CG 3.48Å; L270-F278 VanDerWaalsContact CD2-CG 3.48Å; L270-F278 HydrophobicContact CD2-CZ 3.87Å; L270-I304 HydrophobicContact CD1-CB 4.38Å; L270-I304 HydrophobicContact CD1-CG1 4.1Å; L270-I304 HydrophobicContact CD1-CG2 4.11Å; L270-L307 HydrophobicContact CB-CD1 4.06Å; L270-L307 HydrophobicContact CD1-CB 4.44Å; L270-L307 HydrophobicContact CD1-CD1 4.43Å; L270-L308 HydrophobicContact CD1-CD2 4.27Å; L270-L308 HydrophobicContact CD1-CG 4.5Å; L270-L308 HydrophobicContact CD2-CD2 3.89Å
271Q94.5Very high93.9Very high101 Ų10142.7 Ų42.747%0.47224%0.24SC..Hα-helixtrans-86-43-180-68.7174.4-17.500112.4L267 H269 L307L267-Q271 HydrophobicContact CD1-CG 4.16Å; L267-Q271 WeakPolarHBondContact O-CB 3.5Å; L267-Q271 WeakPolarHBondContact O-CG 3.42Å; L267-Q271 PolarHBondContact O-N 3.4Å; H269-Q271 VanDerWaalsContact C-N 3.32Å; H269-Q271 PolarHBondContact O-N 2.85Å; Q271-L307 HydrophobicContact CG-CD1 4.06Å
272N93.6Very high93.9Very high92 Ų9245.9 Ų45.949%0.49226%0.255SS..Hα-helixtrans-123.826.4-160-49.3-52.9000113.5R245 D268R245-N272 PolarHBondContact NH1-O 2.89Å; R245-N272 VanDerWaalsContact NH2-CB 3.27Å; R245-N272 PolarHBondContact NH2-O 3.36Å; D268-N272 WeakPolarHBondContact O-CA 3.18Å; D268-N272 VanDerWaalsContact O-CB 3.29Å; D268-N272 WeakPolarHBondContact O-CB 3.49Å; D268-N272 PolarHBondContact O-N 2.88Å; D268-N272 PolarHBondContact O-ND2 2.87Å; D268-N272 PolarHBondContact OD1-ND2 2.82Å
273T93.1Very high94Very high16 Ų1645.3 Ų45.310%0.09825%0.251CS..  trans-125.3104.5175.1-56.20000111.7A249 H269 F276A249-T273 HydrophobicContact CB-CG2 3.78Å; H269-T273 WeakPolarHBondContact CA-OG1 3.26Å; H269-T273 PolarHBondContact ND1-OG1 2.89Å; H269-T273 WeakPolarHBondContact O-CB 3.27Å; H269-T273 PolarHBondContact O-N 2.95Å; H269-T273 PolarHBondContact O-OG1 3.42Å; T273-F276 HydrophobicContact CG2-CB 4.03Å; T273-F276 PolarHBondContact O-N 2.98Å
274P88.1Confident94.1Very high118 Ų11845.3 Ų45.377%0.76625%0.251SS*.THydrogen-bonded Turntrans-63.6143.5173.228.4-34.2000110.4F276P274-F276 VanDerWaalsContact C-N 3.29Å; P274-F276 PolarHBondContact O-N 2.86Å
275G87.1Confident94.2Very high60 Ų6043.7 Ų43.762%0.61924%0.235SC*.THydrogen-bonded Turntrans79.8-6.4-179.600000115.9M277G275-M277 PolarHBondContact O-N 3.27Å
276F94.1Very high94.3Very high13 Ų1342.2 Ų42.26%0.05723%0.229CC..  trans-69.8104.8174.8179.1-152.4000110.8L252 L259 L266 H269 L270 T273 P274 F278L252-F276 HydrophobicContact CB-CB 4.42Å; L252-F276 HydrophobicContact CB-CD2 3.87Å; L252-F276 HydrophobicContact CB-CE2 4.46Å; L252-F276 HydrophobicContact CB-CG 4.24Å; L252-F276 HydrophobicContact CD1-CD1 4.29Å; L252-F276 HydrophobicContact CD1-CD2 4.22Å; L252-F276 HydrophobicContact CD1-CE1 4.4Å; L252-F276 HydrophobicContact CD1-CE2 4.35Å; L252-F276 HydrophobicContact CD1-CG 4.2Å; L252-F276 HydrophobicContact CD1-CZ 4.44Å; L252-F276 HydrophobicContact CD2-CD2 4.1Å; L252-F276 HydrophobicContact CD2-CE2 3.81Å; L252-F276 HydrophobicContact CD2-CZ 4.32Å; L252-F276 HydrophobicContact CG-CD2 4.28Å; L252-F276 HydrophobicContact CG-CE2 4.43Å; L259-F276 HydrophobicContact CD2-CE2 4.17Å; L259-F276 HydrophobicContact CD2-CZ 3.77Å; L266-F276 HydrophobicContact CD1-CE1 4.15Å; L266-F276 HydrophobicContact CD1-CZ 4.17Å; H269-F276 HydrophobicContact CB-CD1 4.23Å; H269-F276 HydrophobicContact CB-CE1 4.26Å; L270-F276 HydrophobicContact CD2-CD1 4.26Å; L270-F276 HydrophobicContact CD2-CE1 3.63Å; L270-F276 HydrophobicContact CD2-CZ 4.38Å; L270-F276 HydrophobicContact CG-CE1 4.12Å; T273-F276 HydrophobicContact CG2-CB 4.03Å; T273-F276 PolarHBondContact O-N 2.98Å; P274-F276 VanDerWaalsContact C-N 3.29Å; P274-F276 PolarHBondContact O-N 2.86Å; F276-F278 AromaticContact CD1-CD1 3.78Å; F276-F278 HydrophobicContact CD1-CD1 3.78Å; F276-F278 HydrophobicContact CD1-CE1 4.34Å; F276-F278 HydrophobicContact CE1-CD1 4.01Å; F276-F278 HydrophobicContact CE2-CB 4.34Å; F276-F278 HydrophobicContact CG-CD1 4.08Å; F276-F278 HydrophobicContact CZ-CB 4.2Å; F276-F278 HydrophobicContact CZ-CD1 4.47Å; F276-F278 VanDerWaalsContact O-CD1 3.25Å; F276-F278 WeakPolarHBondContact O-CD1 3.25Å; F276-F278 PolarHBondContact O-N 2.75Å
277M93.3Very high94.1Very high85 Ų8542.4 Ų42.442%0.41923%0.23SC..  trans-89.595.1-177.2-171.2-177.2-57.200111.7R203 N204 G205 T206 G275 N280R203-M277 VanDerWaalsContact O-SD 3.4Å; N204-M277 VanDerWaalsContact C-SD 3.56Å; G205-M277 CarbonylContact C-O 3.5Å; G205-M277 WeakPolarHBondContact CA-O 3.45Å; T206-M277 PolarHBondContact N-O 3.34Å; G275-M277 PolarHBondContact O-N 3.27Å; M277-N280 PolarHBondContact SD-ND2 3.5Å
278F93.6Very high93.6Very high35 Ų3542.2 Ų42.215%0.15423%0.229CC..  trans-111.31.4174.860.2-92.5000113.8L270 F276 N280 L281 L308 P309L270-F278 HydrophobicContact CD2-CB 4.13Å; L270-F278 HydrophobicContact CD2-CD1 3.46Å; L270-F278 VanDerWaalsContact CD2-CD1 3.46Å; L270-F278 HydrophobicContact CD2-CD2 3.71Å; L270-F278 HydrophobicContact CD2-CE1 3.66Å; L270-F278 HydrophobicContact CD2-CE2 3.9Å; L270-F278 HydrophobicContact CD2-CG 3.48Å; L270-F278 VanDerWaalsContact CD2-CG 3.48Å; L270-F278 HydrophobicContact CD2-CZ 3.87Å; F276-F278 AromaticContact CD1-CD1 3.78Å; F276-F278 HydrophobicContact CD1-CD1 3.78Å; F276-F278 HydrophobicContact CD1-CE1 4.34Å; F276-F278 HydrophobicContact CE1-CD1 4.01Å; F276-F278 HydrophobicContact CE2-CB 4.34Å; F276-F278 HydrophobicContact CG-CD1 4.08Å; F276-F278 HydrophobicContact CZ-CB 4.2Å; F276-F278 HydrophobicContact CZ-CD1 4.47Å; F276-F278 VanDerWaalsContact O-CD1 3.25Å; F276-F278 WeakPolarHBondContact O-CD1 3.25Å; F276-F278 PolarHBondContact O-N 2.75Å; F278-N280 PolarHBondContact O-N 3.01Å; F278-L281 WeakPolarHBondContact O-CB 3.39Å; F278-L281 PolarHBondContact O-N 3.37Å; F278-L308 HydrophobicContact CB-CD2 4.37Å; F278-L308 HydrophobicContact CD2-CD2 3.94Å; F278-L308 HydrophobicContact CG-CD2 4.43Å; F278-P309 WeakPolarHBondContact O-CG 3.37Å
279K92.6Very high93.2Very high172 Ų17240.6 Ų40.675%0.74822%0.22SC*.THydrogen-bonded Turntrans-65-20.5-178.3-68-173.7178.9-179.10114P309K279-P309 VanDerWaalsContact O-CG 3.26Å; K279-P309 WeakPolarHBondContact O-CG 3.31Å
280N93.7Very high92.7Very high63 Ų6341 Ų4134%0.33722%0.222SC..THydrogen-bonded Turntrans-96.513.4-178.7-58.9-31.5000112.9F200 N204 M277 F278 Q282F200-N280 HydrophobicContact CE1-CB 4.42Å; F200-N280 HydrophobicContact CZ-CB 4.25Å; N204-N280 PolarHBondContact O-ND2 3.37Å; M277-N280 PolarHBondContact SD-ND2 3.5Å; F278-N280 PolarHBondContact O-N 3.01Å; N280-Q282 PolarHBondContact O-N 2.96Å; N280-Q282 PolarHBondContact O-NE2 3.1Å
281L95.6Very high91.9Very high1 Ų142.3 Ų42.31%0.00523%0.226CC..  trans-55.6126.1-178-166.782.2000111.9T206 V209 F278 C283 L284 L308 P309T206-L281 HydrophobicContact CG2-CD1 4.33Å; V209-L281 HydrophobicContact CB-CD1 4.02Å; V209-L281 HydrophobicContact CG2-CD1 3.59Å; F278-L281 WeakPolarHBondContact O-CB 3.39Å; F278-L281 PolarHBondContact O-N 3.37Å; L281-C283 WeakPolarHBondContact CD1-O 3.29Å; L281-C283 WeakPolarHBondContact CG-O 3.13Å; L281-L284 HydrophobicContact CD2-CB 4.32Å; L281-L308 HydrophobicContact CD2-CB 4.24Å; L281-L308 HydrophobicContact CD2-CD1 3.9Å; L281-L308 HydrophobicContact CD2-CD2 4.17Å; L281-L308 HydrophobicContact CD2-CG 4.32Å; L281-P309 HydrophobicContact CB-CG 3.96Å
282Q95.5Very high91.4Very high67 Ų6737.5 Ų37.531%0.31320%0.204SC..  trans-102.6-30.9177.7-56.3-58.5-53.300112.1L194 L198 F200 G207 N280 R312 Q313L194-Q282 HydrophobicContact CD2-CB 3.99Å; L198-Q282 HydrophobicContact CD1-CB 4.31Å; L198-Q282 HydrophobicContact CD1-CG 3.68Å; F200-Q282 HydrophobicContact CE2-CG 3.91Å; F200-Q282 HydrophobicContact CZ-CG 3.92Å; G207-Q282 PolarHBondContact O-N 2.91Å; N280-Q282 PolarHBondContact O-N 2.96Å; N280-Q282 PolarHBondContact O-NE2 3.1Å; Q282-R312 CarbonylContact O-C 3.46Å; Q282-R312 WeakPolarHBondContact O-CA 3.29Å; Q282-R312 WeakPolarHBondContact O-CB 3.3Å; Q282-Q313 PolarHBondContact O-N 2.88Å
283C96.4Very high91Very high0 Ų033.6 Ų33.60%018%0.183CC..EExtended strand (participates in β ladder)trans-135.5138.2-179.1-171.60000112.9L194 G207 V208 V209 L281 Q313L194-C283 HydrophobicContact CD2-CB 4.05Å; G207-C283 PolarHBondContact O-N 2.77Å; V208-C283 WeakPolarHBondContact CA-O 3.34Å; V208-C283 HydrophobicContact CG1-CB 4.39Å; V208-C283 HydrophobicContact CG2-CB 4.07Å; V209-C283 PolarHBondContact N-O 2.86Å; V209-C283 VanDerWaalsContact N-O 3.07Å; L281-C283 WeakPolarHBondContact CD1-O 3.29Å; L281-C283 WeakPolarHBondContact CG-O 3.13Å; C283-Q313 WeakPolarHBondContact CA-O 3.43Å
284L96.9Very high90.3Very high0 Ų036.9 Ų36.90%020%0.197CC..EExtended strand (participates in β ladder)trans-119.8121165.9175.162.9000109.5V209 L211 L281 I286 I305 L308 Q313 T314 M315V209-L284 HydrophobicContact CB-CD1 4.18Å; V209-L284 HydrophobicContact CG1-CD1 3.85Å; L211-L284 HydrophobicContact CD1-CD1 4.14Å; L211-L284 HydrophobicContact CG-CD1 4.37Å; L281-L284 HydrophobicContact CD2-CB 4.32Å; L284-I286 HydrophobicContact CD2-CD1 4.49Å; L284-I286 HydrophobicContact CG-CG1 4.29Å; L284-I305 HydrophobicContact CD2-CG1 4.31Å; L284-L308 HydrophobicContact CD1-CD1 4Å; L284-L308 HydrophobicContact CD2-CD1 4.21Å; L284-Q313 PolarHBondContact N-O 3.42Å; L284-T314 HydrophobicContact CB-CG2 4.31Å; L284-T314 HydrophobicContact CD2-CG2 4.29Å; L284-T314 HydrophobicContact CG-CG2 4.32Å; L284-T314 CarbonylContact O-C 3.59Å; L284-T314 VanDerWaalsContact O-CA 3.3Å; L284-T314 WeakPolarHBondContact O-CA 3.36Å; L284-M315 PolarHBondContact O-N 3.26Å
285I96.8Very high89.6Confident0 Ų034.3 Ų34.30%018%0.179CC..EExtended strand (participates in β ladder)trans-106.3134.1173-53.6169000108.8F187 S191 V208 V209 I210 L211 M315F187-I285 HydrophobicContact CB-CD1 4.01Å; F187-I285 HydrophobicContact CB-CG2 4.19Å; F187-I285 HydrophobicContact CD1-CG2 4.17Å; F187-I285 HydrophobicContact CD2-CD1 3.62Å; F187-I285 HydrophobicContact CD2-CG2 3.98Å; F187-I285 HydrophobicContact CE1-CG2 4.5Å; F187-I285 HydrophobicContact CE2-CD1 4.43Å; F187-I285 HydrophobicContact CE2-CG2 4.34Å; F187-I285 HydrophobicContact CG-CD1 4.14Å; F187-I285 HydrophobicContact CG-CG2 3.89Å; S191-I285 WeakPolarHBondContact OG-CD1 3.47Å; V208-I285 HydrophobicContact CG1-CD1 4.31Å; V209-I285 PolarHBondContact O-N 3.18Å; I210-I285 HydrophobicContact CB-CB 4.41Å; I210-I285 HydrophobicContact CD1-CD1 3.84Å; I210-I285 HydrophobicContact CG1-CB 4.3Å; I210-I285 HydrophobicContact CG1-CD1 3.73Å; I210-I285 HydrophobicContact CG1-CG1 4.4Å; I210-I285 HydrophobicContact CG2-CB 4.13Å; I210-I285 HydrophobicContact CG2-CG2 4.21Å; L211-I285 PolarHBondContact N-O 2.9Å; I285-M315 CarbonylContact C-O 3.53Å; I285-M315 WeakPolarHBondContact CA-O 3.23Å; I285-M315 HydrophobicContact CD1-SD 4.33Å; I285-M315 HydrophobicContact CG1-CB 4.37Å; I285-M315 HydrophobicContact CG1-CG 4.39Å; I285-M315 HydrophobicContact CG1-SD 3.97Å
286I95.3Very high89.4Confident0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-119.1106.6174.3-53.7177.3000107.2L284 A289 I292 L301 M315 L316 F317L284-I286 HydrophobicContact CD2-CD1 4.49Å; L284-I286 HydrophobicContact CG-CG1 4.29Å; I286-A289 HydrophobicContact CG2-CB 3.74Å; I286-I292 HydrophobicContact CG2-CD1 3.65Å; I286-L301 HydrophobicContact CD1-CD1 4.29Å; I286-L301 HydrophobicContact CG2-CD2 4.4Å; I286-M315 PolarHBondContact N-O 2.71Å; I286-L316 HydrophobicContact CB-CG 4.24Å; I286-L316 HydrophobicContact CG2-CG 4.45Å; I286-F317 PolarHBondContact O-N 2.69Å
287D92.4Very high89Confident4 Ų435.5 Ų35.52%0.02118%0.181CC..  trans-103142-174.6-176.830.7000111.7F187 L211 P213 A289F187-D287 HydrophobicContact CE1-CB 4.18Å; F187-D287 HydrophobicContact CZ-CB 4.21Å; L211-D287 PolarHBondContact O-N 3.36Å; P213-D287 WeakPolarHBondContact CD-O 3.48Å; D287-A289 VanDerWaalsContact C-N 3.29Å; D287-A289 PolarHBondContact O-N 3.22Å
288E87.4Confident88.8Confident10 Ų1034.4 Ų34.45%0.04718%0.175CC..SBendtrans40.955.6-168.3-56.1-89.1-105.100111.5K183 P213 L217 D290 R291 I292 F317K183-E288 IonicContact NZ-OE2 3.87Å; K183-E288 PolarHBondContact NZ-OE2 3.36Å; P213-E288 HydrophobicContact CG-CB 4.03Å; L217-E288 HydrophobicContact CD2-CB 4.25Å; L217-E288 HydrophobicContact CD2-CG 3.76Å; E288-D290 VanDerWaalsContact C-N 3.33Å; E288-D290 PolarHBondContact O-N 3.02Å; E288-R291 HydrophobicContact CB-CB 4.27Å; E288-R291 WeakPolarHBondContact O-CA 3.33Å; E288-R291 WeakPolarHBondContact O-CB 3.5Å; E288-R291 PolarHBondContact O-N 3.41Å; E288-I292 PolarHBondContact O-N 3.13Å; E288-F317 PolarHBondContact N-O 2.84Å; E288-F317 VanDerWaalsContact N-O 3.17Å
289A86.6Confident88.6Confident0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-61.9-34.6-169.900000114.3I286 D287 R291 I292 L293 L316 F317 L328I286-A289 HydrophobicContact CG2-CB 3.74Å; D287-A289 VanDerWaalsContact C-N 3.29Å; D287-A289 PolarHBondContact O-N 3.22Å; A289-R291 VanDerWaalsContact C-N 3.27Å; A289-R291 PolarHBondContact O-N 3.13Å; A289-I292 PolarHBondContact O-N 3.24Å; A289-I292 VanDerWaalsContact O-N 3.17Å; A289-L293 WeakPolarHBondContact O-CG 3.27Å; A289-L293 PolarHBondContact O-N 3.4Å; A289-L316 HydrophobicContact CB-CD1 4.37Å; A289-L316 HydrophobicContact CB-CD2 3.39Å; A289-L316 HydrophobicContact CB-CG 3.84Å; A289-F317 PolarHBondContact N-O 3.27Å; A289-L328 HydrophobicContact CB-CD2 4.3Å
290D84.2Confident88.6Confident8 Ų832.2 Ų32.24%0.04317%0.168CC..Hα-helixtrans-54.5-43.7169.449.75000111.5E288 L293 E294 S318 A319 T320 V325E288-D290 VanDerWaalsContact C-N 3.33Å; E288-D290 PolarHBondContact O-N 3.02Å; D290-L293 PolarHBondContact O-N 2.85Å; D290-E294 WeakPolarHBondContact O-CG 3.44Å; D290-E294 PolarHBondContact O-N 3.03Å; D290-S318 WeakPolarHBondContact CB-OG 3.48Å; D290-S318 PolarHBondContact OD2-OG 3.46Å; D290-A319 PolarHBondContact OD2-N 3.31Å; D290-T320 WeakPolarHBondContact OD2-CB 3.41Å; D290-T320 PolarHBondContact OD2-N 2.67Å; D290-T320 PolarHBondContact OD2-OG1 3.13Å; D290-V325 HydrophobicContact CB-CG2 3.88Å
291R78.6Confident88.6Confident44 Ų4429.2 Ų29.217%0.16615%0.152CC..Hα-helixtrans-70.3-29.4176.7-175.953.1169.7-169.10.3113.6P213 E288 A289 L293 E294 V295 R441P213-R291 HydrophobicContact CB-CB 4.18Å; P213-R291 HydrophobicContact CB-CG 3.79Å; P213-R291 HydrophobicContact CG-CB 3.99Å; P213-R291 HydrophobicContact CG-CG 3.85Å; E288-R291 HydrophobicContact CB-CB 4.27Å; E288-R291 WeakPolarHBondContact O-CA 3.33Å; E288-R291 WeakPolarHBondContact O-CB 3.5Å; E288-R291 PolarHBondContact O-N 3.41Å; A289-R291 VanDerWaalsContact C-N 3.27Å; A289-R291 PolarHBondContact O-N 3.13Å; R291-L293 VanDerWaalsContact C-N 3.28Å; R291-L293 PolarHBondContact O-N 3.01Å; R291-E294 WeakPolarHBondContact CD-OE2 3.05Å; R291-E294 IonicContact CZ-OE2 2.68Å; R291-E294 IonicContact NE-OE2 3.97Å; R291-E294 IonicContact NH1-OE2 3.27Å; R291-E294 PolarHBondContact NH1-OE2 3.17Å; R291-E294 PolarHBondContact O-N 3Å; R291-V295 HydrophobicContact CG-CG2 4.32Å; R291-V295 VanDerWaalsContact O-CG2 3.29Å; R291-V295 WeakPolarHBondContact O-CG2 3.21Å; R291-V295 PolarHBondContact O-N 3.03Å; R291-V295 VanDerWaalsContact O-N 3.09Å; R291-R441 HydrophobicContact CG-CB 4.41Å
292I85.3Confident88.4Confident0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-63.1-40.4173.3-60175.5000110.1L211 P213 P263 I286 E288 A289 F297 L301L211-I292 HydrophobicContact CB-CD1 4.48Å; P213-I292 HydrophobicContact CB-CB 4.49Å; P213-I292 HydrophobicContact CB-CG1 3.67Å; P213-I292 HydrophobicContact CG-CG1 4.08Å; P263-I292 HydrophobicContact CG-CG2 4.08Å; I286-I292 HydrophobicContact CG2-CD1 3.65Å; E288-I292 PolarHBondContact O-N 3.13Å; A289-I292 PolarHBondContact O-N 3.24Å; A289-I292 VanDerWaalsContact O-N 3.17Å; I292-F297 HydrophobicContact CG2-CB 3.8Å; I292-F297 PolarHBondContact O-N 2.77Å; I292-L301 HydrophobicContact CG2-CD2 4.01Å
293L85.1Confident88.3Confident10 Ų1032.6 Ų32.65%0.05217%0.166CC..Hα-helixtrans-72.1-41.1176.9-61.7168.2000112.4A289 D290 R291 V295 G296 E298 R324 V325 L328A289-L293 WeakPolarHBondContact O-CG 3.27Å; A289-L293 PolarHBondContact O-N 3.4Å; D290-L293 PolarHBondContact O-N 2.85Å; R291-L293 VanDerWaalsContact C-N 3.28Å; R291-L293 PolarHBondContact O-N 3.01Å; L293-V295 VanDerWaalsContact C-N 3.31Å; L293-V295 PolarHBondContact O-N 2.86Å; L293-G296 PolarHBondContact O-N 2.87Å; L293-G296 VanDerWaalsContact O-N 3.13Å; L293-E298 HydrophobicContact CD2-CB 3.8Å; L293-E298 HydrophobicContact CD2-CG 3.6Å; L293-R324 HydrophobicContact CD1-CB 3.96Å; L293-R324 WeakPolarHBondContact CD1-O 3.23Å; L293-V325 HydrophobicContact CD1-CG2 3.85Å; L293-L328 HydrophobicContact CD1-CB 4.27Å; L293-L328 HydrophobicContact CD1-CD2 4.01Å; L293-L328 HydrophobicContact CD2-CD2 4.21Å; L293-L328 HydrophobicContact CG-CD2 4.17Å
294E76.7Confident88.2Confident84 Ų8432.6 Ų32.639%0.39317%0.166SC..Hα-helixtrans-59.3-38.1174.4-76.7-176158.900113.2D290 R291 G296 R441D290-E294 WeakPolarHBondContact O-CG 3.44Å; D290-E294 PolarHBondContact O-N 3.03Å; R291-E294 WeakPolarHBondContact CD-OE2 3.05Å; R291-E294 IonicContact CZ-OE2 2.68Å; R291-E294 IonicContact NE-OE2 3.97Å; R291-E294 IonicContact NH1-OE2 3.27Å; R291-E294 PolarHBondContact NH1-OE2 3.17Å; R291-E294 PolarHBondContact O-N 3Å; E294-G296 PolarHBondContact O-N 2.88Å; E294-R441 VanDerWaalsContact CD-NH2 3.32Å; E294-R441 IonicContact OE1-CZ 2.65Å; E294-R441 IonicContact OE1-NE 2.9Å; E294-R441 IonicContact OE1-NH2 2.63Å; E294-R441 PolarHBondContact OE1-NH2 3.17Å; E294-R441 IonicContact OE2-CZ 2.66Å; E294-R441 IonicContact OE2-NE 2.7Å; E294-R441 PolarHBondContact OE2-NE 3.29Å; E294-R441 IonicContact OE2-NH2 3.34Å; E294-R441 PolarHBondContact OE2-NH2 3.21Å; E294-R441 VanDerWaalsContact OE2-NH2 3.09Å
295V74.6Confident88.1Confident64 Ų6433.4 Ų33.439%0.38817%0.171SC..THydrogen-bonded Turntrans-74.8-12.4179.8174.80000112R291 L293 F297R291-V295 HydrophobicContact CG-CG2 4.32Å; R291-V295 VanDerWaalsContact O-CG2 3.29Å; R291-V295 WeakPolarHBondContact O-CG2 3.21Å; R291-V295 PolarHBondContact O-N 3.03Å; R291-V295 VanDerWaalsContact O-N 3.09Å; L293-V295 VanDerWaalsContact C-N 3.31Å; L293-V295 PolarHBondContact O-N 2.86Å; V295-F297 HydrophobicContact CB-CD2 4.14Å; V295-F297 HydrophobicContact CB-CE2 4.27Å; V295-F297 HydrophobicContact CG1-CD2 3.7Å; V295-F297 HydrophobicContact CG1-CE1 4.48Å; V295-F297 HydrophobicContact CG1-CE2 3.41Å; V295-F297 VanDerWaalsContact CG1-CE2 3.41Å; V295-F297 HydrophobicContact CG1-CG 4.36Å; V295-F297 HydrophobicContact CG1-CZ 3.84Å
296G82.8Confident87.9Confident48 Ų4842.2 Ų42.250%0.49521%0.209SC..THydrogen-bonded Turntrans92.37.2177.400000115L293 E294 E298L293-G296 PolarHBondContact O-N 2.87Å; L293-G296 VanDerWaalsContact O-N 3.13Å; E294-G296 PolarHBondContact O-N 2.88Å; G296-E298 PolarHBondContact O-N 2.96Å
297F86.3Confident87.8Confident51 Ų5145.7 Ų45.722%0.22423%0.227CC..THydrogen-bonded Turntrans-75.321.3178.4-64.9-46.1000114P263 I292 V295 E300 L301P263-F297 HydrophobicContact CB-CB 4.17Å; P263-F297 HydrophobicContact CB-CG 4.31Å; P263-F297 HydrophobicContact CG-CB 4.32Å; P263-F297 HydrophobicContact CG-CD2 4.23Å; P263-F297 HydrophobicContact CG-CG 4.44Å; I292-F297 HydrophobicContact CG2-CB 3.8Å; I292-F297 PolarHBondContact O-N 2.77Å; V295-F297 HydrophobicContact CB-CD2 4.14Å; V295-F297 HydrophobicContact CB-CE2 4.27Å; V295-F297 HydrophobicContact CG1-CD2 3.7Å; V295-F297 HydrophobicContact CG1-CE1 4.48Å; V295-F297 HydrophobicContact CG1-CE2 3.41Å; V295-F297 VanDerWaalsContact CG1-CE2 3.41Å; V295-F297 HydrophobicContact CG1-CG 4.36Å; V295-F297 HydrophobicContact CG1-CZ 3.84Å; F297-E300 WeakPolarHBondContact CA-OE2 3.39Å; F297-L301 VanDerWaalsContact O-CB 3.23Å; F297-L301 WeakPolarHBondContact O-CB 3.44Å; F297-L301 PolarHBondContact O-N 2.84Å
298E87.8Confident87.9Confident62 Ų6245.8 Ų45.829%0.2923%0.228SC..Hα-helixtrans-64.4-40.7-176.1-174.3179.6142.500111.6L293 G296 L301 K302L293-E298 HydrophobicContact CD2-CB 3.8Å; L293-E298 HydrophobicContact CD2-CG 3.6Å; G296-E298 PolarHBondContact O-N 2.96Å; E298-L301 PolarHBondContact O-N 2.84Å; E298-K302 HydrophobicContact CG-CD 4.48Å; E298-K302 VanDerWaalsContact O-CG 3.28Å; E298-K302 WeakPolarHBondContact O-CG 3.32Å; E298-K302 PolarHBondContact O-N 3.15Å; E298-K302 WeakPolarHBondContact OE1-CE 3.03Å; E298-K302 IonicContact OE1-NZ 3.26Å; E298-K302 PolarHBondContact OE1-NZ 3.46Å
299E89.8Confident88.2Confident105 Ų10546.8 Ų46.849%0.49124%0.235SC..Hα-helixtrans-76.2-37.2180-66.2-54.1127.400112.6L301 K302 Q303E299-L301 VanDerWaalsContact C-N 3.31Å; E299-K302 PolarHBondContact O-N 2.86Å; E299-K302 WeakPolarHBondContact OE1-CD 3.49Å; E299-K302 IonicContact OE1-NZ 2.77Å; E299-K302 PolarHBondContact OE1-NZ 3.1Å; E299-Q303 WeakPolarHBondContact O-CG 3.39Å; E299-Q303 PolarHBondContact O-N 2.85Å; E299-Q303 PolarHBondContact O-NE2 3.07Å
300E93.3Very high88.3Confident55 Ų5556.3 Ų56.326%0.25728%0.276SS..Hα-helixtrans-63-40.5170.8-6694141.400111.1P263 L267 F297 Q303 I304P263-E300 HydrophobicContact CB-CB 4.46Å; L267-E300 HydrophobicContact CD2-CB 3.87Å; L267-E300 HydrophobicContact CD2-CG 3.75Å; F297-E300 WeakPolarHBondContact CA-OE2 3.39Å; E300-Q303 PolarHBondContact O-N 2.94Å; E300-I304 WeakPolarHBondContact O-CD1 3.44Å; E300-I304 VanDerWaalsContact O-CG1 3.22Å; E300-I304 WeakPolarHBondContact O-CG1 3.49Å; E300-I304 PolarHBondContact O-N 2.82Å
301L92.5Very high88.6Confident0 Ų065.2 Ų65.20%032%0.315CS..Hα-helixtrans-65.7-43.7178-175.754.1000111.9L211 I286 I292 F297 E298 E299 Q303 I304 I305 L328L211-L301 HydrophobicContact CD1-CD1 3.51Å; I286-L301 HydrophobicContact CD1-CD1 4.29Å; I286-L301 HydrophobicContact CG2-CD2 4.4Å; I292-L301 HydrophobicContact CG2-CD2 4.01Å; F297-L301 VanDerWaalsContact O-CB 3.23Å; F297-L301 WeakPolarHBondContact O-CB 3.44Å; F297-L301 PolarHBondContact O-N 2.84Å; E298-L301 PolarHBondContact O-N 2.84Å; E299-L301 VanDerWaalsContact C-N 3.31Å; L301-Q303 VanDerWaalsContact C-N 3.3Å; L301-Q303 PolarHBondContact O-N 2.86Å; L301-I304 PolarHBondContact O-N 2.88Å; L301-I305 HydrophobicContact CD1-CD1 4Å; L301-I305 HydrophobicContact CD1-CG1 4.27Å; L301-I305 HydrophobicContact CG-CD1 3.88Å; L301-I305 WeakPolarHBondContact O-CB 3.34Å; L301-I305 WeakPolarHBondContact O-CD1 3.19Å; L301-I305 VanDerWaalsContact O-CG1 3.27Å; L301-I305 WeakPolarHBondContact O-CG1 3.44Å; L301-I305 PolarHBondContact O-N 3.45Å; L301-L328 HydrophobicContact CD2-CD1 3.46Å; L301-L328 VanDerWaalsContact CD2-CD1 3.46Å; L301-L328 HydrophobicContact CD2-CD2 3.54Å; L301-L328 HydrophobicContact CD2-CG 4.14Å; L301-L328 HydrophobicContact CG-CD1 3.88Å
302K91.5Very high89.3Confident60 Ų6064.2 Ų64.226%0.26131%0.311SS..Hα-helixtrans-57.3-42.1171.2-73.1165.4-172.2166.70111.9E298 E299 K306E298-K302 HydrophobicContact CG-CD 4.48Å; E298-K302 VanDerWaalsContact O-CG 3.28Å; E298-K302 WeakPolarHBondContact O-CG 3.32Å; E298-K302 PolarHBondContact O-N 3.15Å; E298-K302 WeakPolarHBondContact OE1-CE 3.03Å; E298-K302 IonicContact OE1-NZ 3.26Å; E298-K302 PolarHBondContact OE1-NZ 3.46Å; E299-K302 PolarHBondContact O-N 2.86Å; E299-K302 WeakPolarHBondContact OE1-CD 3.49Å; E299-K302 IonicContact OE1-NZ 2.77Å; E299-K302 PolarHBondContact OE1-NZ 3.1Å; K302-K306 WeakPolarHBondContact O-CB 3.4Å; K302-K306 PolarHBondContact O-N 3.45Å; K302-K306 VanDerWaalsContact O-N 3.07Å
303Q94.3Very high89.7Confident79 Ų7964.8 Ų64.837%0.36931%0.314SS..Hα-helixtrans-67.1-42.6176.8-73.3176.865.200112.7L267 E299 E300 L301 K306 L307L267-Q303 HydrophobicContact CD1-CB 3.79Å; L267-Q303 HydrophobicContact CD2-CB 4.14Å; E299-Q303 WeakPolarHBondContact O-CG 3.39Å; E299-Q303 PolarHBondContact O-N 2.85Å; E299-Q303 PolarHBondContact O-NE2 3.07Å; E300-Q303 PolarHBondContact O-N 2.94Å; L301-Q303 VanDerWaalsContact C-N 3.3Å; L301-Q303 PolarHBondContact O-N 2.86Å; Q303-K306 PolarHBondContact O-N 3.44Å; Q303-L307 WeakPolarHBondContact O-CG 3.28Å; Q303-L307 PolarHBondContact O-N 3.17Å
304I95.3Very high90.2Very high0 Ų064.4 Ų64.40%031%0.312CS..Hα-helixtrans-59-51.1174.3-69.4159.4000110.2L211 P263 L266 L267 L270 E300 L301 K306 L307 L308L211-I304 HydrophobicContact CD1-CD1 4.37Å; L211-I304 HydrophobicContact CD1-CG2 4.26Å; L211-I304 HydrophobicContact CD2-CD1 4.49Å; P263-I304 HydrophobicContact CB-CD1 3.92Å; P263-I304 WeakPolarHBondContact O-CD1 3.34Å; L266-I304 HydrophobicContact CB-CD1 4.42Å; L266-I304 HydrophobicContact CD2-CD1 4.34Å; L266-I304 HydrophobicContact CD2-CG1 4.44Å; L266-I304 HydrophobicContact CD2-CG2 3.85Å; L267-I304 HydrophobicContact CB-CD1 4.42Å; L267-I304 HydrophobicContact CB-CG1 4.15Å; L267-I304 HydrophobicContact CD1-CG1 4.24Å; L270-I304 HydrophobicContact CD1-CB 4.38Å; L270-I304 HydrophobicContact CD1-CG1 4.1Å; L270-I304 HydrophobicContact CD1-CG2 4.11Å; E300-I304 WeakPolarHBondContact O-CD1 3.44Å; E300-I304 VanDerWaalsContact O-CG1 3.22Å; E300-I304 WeakPolarHBondContact O-CG1 3.49Å; E300-I304 PolarHBondContact O-N 2.82Å; L301-I304 PolarHBondContact O-N 2.88Å; I304-K306 PolarHBondContact O-N 3.06Å; I304-L307 PolarHBondContact O-N 3.33Å; I304-L308 HydrophobicContact CG2-CD1 3.54Å; I304-L308 HydrophobicContact CG2-CG 4.06Å; I304-L308 WeakPolarHBondContact O-CG 3.45Å; I304-L308 PolarHBondContact O-N 3.28Å
305I93.4Very high91Very high17 Ų1760.4 Ų60.49%0.08729%0.293CS..Hα-helixtrans-58.4-34.5179.3-69.6161000111.8L284 L301 L328 I331L284-I305 HydrophobicContact CD2-CG1 4.31Å; L301-I305 HydrophobicContact CD1-CD1 4Å; L301-I305 HydrophobicContact CD1-CG1 4.27Å; L301-I305 HydrophobicContact CG-CD1 3.88Å; L301-I305 WeakPolarHBondContact O-CB 3.34Å; L301-I305 WeakPolarHBondContact O-CD1 3.19Å; L301-I305 VanDerWaalsContact O-CG1 3.27Å; L301-I305 WeakPolarHBondContact O-CG1 3.44Å; L301-I305 PolarHBondContact O-N 3.45Å; I305-L328 HydrophobicContact CD1-CD1 3.96Å; I305-I331 HydrophobicContact CD1-CG2 4.4Å; I305-I331 HydrophobicContact CG2-CG2 4.27Å
306K92.6Very high91.9Very high185 Ų18557.4 Ų57.480%0.80428%0.275SS*.Hα-helixtrans-73.8-30.5177-175.1179.8178.6-176.60113.7K302 Q303 I304K302-K306 WeakPolarHBondContact O-CB 3.4Å; K302-K306 PolarHBondContact O-N 3.45Å; K302-K306 VanDerWaalsContact O-N 3.07Å; Q303-K306 PolarHBondContact O-N 3.44Å; I304-K306 PolarHBondContact O-N 3.06Å
307L94.3Very high92.3Very high74 Ų7455.1 Ų55.139%0.38725%0.251SS..Hα-helixtrans-85-31.1178.6-70.1170.4000112.9L267 L270 Q271 Q303 I304L267-L307 HydrophobicContact CD1-CD1 3.8Å; L270-L307 HydrophobicContact CB-CD1 4.06Å; L270-L307 HydrophobicContact CD1-CB 4.44Å; L270-L307 HydrophobicContact CD1-CD1 4.43Å; Q271-L307 HydrophobicContact CG-CD1 4.06Å; Q303-L307 WeakPolarHBondContact O-CG 3.28Å; Q303-L307 PolarHBondContact O-N 3.17Å; I304-L307 PolarHBondContact O-N 3.33Å
308L94.8Very high92.3Very high6 Ų652.8 Ų52.83%0.03124%0.241CC..SBendtrans-76.5152.4-178.4-67.9179.2000112.8L270 F278 L281 L284 I304 K310L270-L308 HydrophobicContact CD1-CD2 4.27Å; L270-L308 HydrophobicContact CD1-CG 4.5Å; L270-L308 HydrophobicContact CD2-CD2 3.89Å; F278-L308 HydrophobicContact CB-CD2 4.37Å; F278-L308 HydrophobicContact CD2-CD2 3.94Å; F278-L308 HydrophobicContact CG-CD2 4.43Å; L281-L308 HydrophobicContact CD2-CB 4.24Å; L281-L308 HydrophobicContact CD2-CD1 3.9Å; L281-L308 HydrophobicContact CD2-CD2 4.17Å; L281-L308 HydrophobicContact CD2-CG 4.32Å; L284-L308 HydrophobicContact CD1-CD1 4Å; L284-L308 HydrophobicContact CD2-CD1 4.21Å; I304-L308 HydrophobicContact CG2-CD1 3.54Å; I304-L308 HydrophobicContact CG2-CG 4.06Å; I304-L308 WeakPolarHBondContact O-CG 3.45Å; I304-L308 PolarHBondContact O-N 3.28Å; L308-K310 PolarHBondContact O-N 2.99Å
309P92.9Very high91.7Very high30 Ų3050.8 Ų50.820%0.19524%0.235CC..  trans-53.2136.5177.3-27.235.1000113.5F278 K279 L281 R312F278-P309 WeakPolarHBondContact O-CG 3.37Å; K279-P309 VanDerWaalsContact O-CG 3.26Å; K279-P309 WeakPolarHBondContact O-CG 3.31Å; L281-P309 HydrophobicContact CB-CG 3.96Å; P309-R312 WeakPolarHBondContact O-CD 3.27Å; P309-R312 PolarHBondContact O-NH1 3.19Å
310K88.2Confident90.7Very high200 Ų20047.1 Ų47.187%0.8722%0.22SC*.SBendtrans-73.1-33.8177.2-68.5-171.9177.5-1750113.3L308 R312L308-K310 PolarHBondContact O-N 2.99Å; K310-R312 PolarHBondContact O-N 2.82Å; K310-R312 VanDerWaalsContact O-N 3.17Å
311K90.3Very high89.7Confident195 Ų19549.1 Ų49.185%0.84823%0.229SC*.SBendtrans-85.186.1176.8-172.8-179.3177.8-179.40109.3
312R93.4Very high88.9Confident24 Ų2450.9 Ų50.99%0.09124%0.24CC..SBendtrans-145.5168.8177.363175.5-171.2-98.4-5.6109.8Q282 P309 K310 T314 S332 K334Q282-R312 CarbonylContact O-C 3.46Å; Q282-R312 WeakPolarHBondContact O-CA 3.29Å; Q282-R312 WeakPolarHBondContact O-CB 3.3Å; P309-R312 WeakPolarHBondContact O-CD 3.27Å; P309-R312 PolarHBondContact O-NH1 3.19Å; K310-R312 PolarHBondContact O-N 2.82Å; K310-R312 VanDerWaalsContact O-N 3.17Å; R312-T314 PolarHBondContact NE-OG1 3.1Å; R312-S332 PolarHBondContact NH2-O 3.27Å; R312-K334 WeakPolarHBondContact O-CE 3.39Å; R312-K334 PolarHBondContact O-NZ 3.37Å
313Q94.6Very high88.4Confident12 Ų1257.7 Ų57.76%0.05626%0.264CS..EExtended strand (participates in β ladder)trans-82.7141.4155.2-167.517819.700108.7L167 R171 D172 Q282 C283 L284L167-Q313 PolarHBondContact O-NE2 3Å; R171-Q313 PolarHBondContact O-NE2 2.93Å; D172-Q313 WeakPolarHBondContact OD1-CA 3.49Å; Q282-Q313 PolarHBondContact O-N 2.88Å; C283-Q313 WeakPolarHBondContact CA-O 3.43Å; L284-Q313 PolarHBondContact N-O 3.42Å
314T94.8Very high87.7Confident2 Ų261.5 Ų61.51%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-123.2133.8168.9-500000109.5D172 I173 L284 R312 S332 L333D172-T314 WeakPolarHBondContact CA-O 3.4Å; D172-T314 WeakPolarHBondContact CB-O 3.42Å; D172-T314 PolarHBondContact OD1-N 3.24Å; I173-T314 PolarHBondContact N-O 3.02Å; L284-T314 HydrophobicContact CB-CG2 4.31Å; L284-T314 HydrophobicContact CD2-CG2 4.29Å; L284-T314 HydrophobicContact CG-CG2 4.32Å; L284-T314 CarbonylContact O-C 3.59Å; L284-T314 VanDerWaalsContact O-CA 3.3Å; L284-T314 WeakPolarHBondContact O-CA 3.36Å; R312-T314 PolarHBondContact NE-OG1 3.1Å; T314-S332 WeakPolarHBondContact CB-O 3.34Å; T314-S332 WeakPolarHBondContact CG2-O 3.43Å; T314-S332 PolarHBondContact OG1-O 3.25Å; T314-L333 HydrophobicContact CG2-CD2 3.54Å
315M94.8Very high87.2Confident0 Ų061.6 Ų61.60%028%0.276CS..EExtended strand (participates in β ladder)trans-120.1127.5175.6-44.3178.8-175.500108.7L167 F187 P190 S191 L284 I285 I286 F317L167-M315 HydrophobicContact CB-CE 4.24Å; L167-M315 HydrophobicContact CD1-CE 4.15Å; L167-M315 HydrophobicContact CD1-SD 3.72Å; L167-M315 HydrophobicContact CD2-CE 3.85Å; L167-M315 HydrophobicContact CD2-CG 3.73Å; L167-M315 HydrophobicContact CD2-SD 3.77Å; L167-M315 HydrophobicContact CG-CE 4.28Å; L167-M315 HydrophobicContact CG-SD 4.28Å; F187-M315 HydrophobicContact CB-SD 4.07Å; P190-M315 HydrophobicContact CB-CE 4.48Å; P190-M315 HydrophobicContact CG-CE 4.27Å; S191-M315 WeakPolarHBondContact OG-CE 3.28Å; L284-M315 PolarHBondContact O-N 3.26Å; I285-M315 CarbonylContact C-O 3.53Å; I285-M315 WeakPolarHBondContact CA-O 3.23Å; I285-M315 HydrophobicContact CD1-SD 4.33Å; I285-M315 HydrophobicContact CG1-CB 4.37Å; I285-M315 HydrophobicContact CG1-CG 4.39Å; I285-M315 HydrophobicContact CG1-SD 3.97Å; I286-M315 PolarHBondContact N-O 2.71Å; M315-F317 HydrophobicContact CB-CD2 4.38Å; M315-F317 HydrophobicContact CB-CE2 3.94Å
316L93.1Very high86.7Confident0 Ų062.9 Ų62.90%028%0.282CS..EExtended strand (participates in β ladder)trans-120.8117.4177.6-165.6162.8000109.5I173 L174 A175 I286 A289 V325 L328 A329 L333I173-L316 PolarHBondContact O-N 3.48Å; L174-L316 HydrophobicContact CD1-CB 4.3Å; L174-L316 HydrophobicContact CD1-CD2 3.66Å; L174-L316 HydrophobicContact CD1-CG 4.39Å; A175-L316 PolarHBondContact N-O 3.25Å; I286-L316 HydrophobicContact CB-CG 4.24Å; I286-L316 HydrophobicContact CG2-CG 4.45Å; A289-L316 HydrophobicContact CB-CD1 4.37Å; A289-L316 HydrophobicContact CB-CD2 3.39Å; A289-L316 HydrophobicContact CB-CG 3.84Å; L316-V325 HydrophobicContact CD2-CG1 3.86Å; L316-L328 HydrophobicContact CD1-CD2 4.17Å; L316-L328 HydrophobicContact CD1-CG 4.07Å; L316-A329 HydrophobicContact CD1-CB 4.26Å; L316-L333 HydrophobicContact CB-CD2 4.35Å
317F91.1Very high86.4Confident0 Ų057.8 Ų57.80%026%0.263CS..EExtended strand (participates in β ladder)trans-109.7130.4176.8-73.7-98.4000110T163 L167 A175 K183 A186 F187 I286 E288 A289 M315T163-F317 HydrophobicContact CG2-CE1 4.45Å; L167-F317 HydrophobicContact CD1-CZ 4.41Å; A175-F317 HydrophobicContact CB-CD1 3.47Å; A175-F317 VanDerWaalsContact CB-CD1 3.47Å; A175-F317 HydrophobicContact CB-CE1 3.48Å; A175-F317 VanDerWaalsContact CB-CE1 3.48Å; A175-F317 HydrophobicContact CB-CG 4.08Å; A175-F317 HydrophobicContact CB-CZ 4.07Å; K183-F317 HydrophobicContact CB-CD1 4.07Å; K183-F317 HydrophobicContact CD-CD1 4.16Å; K183-F317 HydrophobicContact CG-CD1 4.27Å; A186-F317 HydrophobicContact CB-CE1 4.29Å; A186-F317 HydrophobicContact CB-CZ 4.48Å; F187-F317 HydrophobicContact CB-CD2 4.24Å; F187-F317 HydrophobicContact CB-CE2 3.58Å; F187-F317 HydrophobicContact CB-CZ 3.95Å; F187-F317 HydrophobicContact CD1-CD1 4.47Å; F187-F317 AromaticContact CD1-CD2 3.81Å; F187-F317 HydrophobicContact CD1-CD2 3.81Å; F187-F317 AromaticContact CD1-CE2 3.94Å; F187-F317 HydrophobicContact CD1-CE2 3.94Å; F187-F317 HydrophobicContact CD1-CG 4.11Å; F187-F317 HydrophobicContact CD1-CZ 4.31Å; F187-F317 HydrophobicContact CG-CD2 4.45Å; F187-F317 HydrophobicContact CG-CE2 4.23Å; I286-F317 PolarHBondContact O-N 2.69Å; E288-F317 PolarHBondContact N-O 2.84Å; E288-F317 VanDerWaalsContact N-O 3.17Å; A289-F317 PolarHBondContact N-O 3.27Å; M315-F317 HydrophobicContact CB-CD2 4.38Å; M315-F317 HydrophobicContact CB-CE2 3.94Å
318S84.9Confident85.9Confident3 Ų354.6 Ų54.62%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-129.4161.5177.6-158.30000110.8A175 A177 K183 D290 T320A175-S318 PolarHBondContact O-N 2.96Å; A177-S318 PolarHBondContact N-O 3.13Å; K183-S318 VanDerWaalsContact NZ-C 3.31Å; K183-S318 PolarHBondContact NZ-O 3.2Å; D290-S318 WeakPolarHBondContact CB-OG 3.48Å; D290-S318 PolarHBondContact OD2-OG 3.46Å; S318-T320 WeakPolarHBondContact CB-O 3.44Å; S318-T320 PolarHBondContact OG-N 3.04Å; S318-T320 PolarHBondContact OG-O 2.92Å
319A75.3Confident85.4Confident20 Ų2054.8 Ų54.817%0.16525%0.249CC..SBendtrans-95.6-26.1166.400000111.5T179 D290T179-A319 HydrophobicContact CG2-CB 3.88Å; D290-A319 PolarHBondContact OD2-N 3.31Å
320T69.4Low85Confident28 Ų2861 Ų6117%0.17227%0.268CS..SBendtrans-131141.2175.366.60000111.6D290 S318 K461D290-T320 WeakPolarHBondContact OD2-CB 3.41Å; D290-T320 PolarHBondContact OD2-N 2.67Å; D290-T320 PolarHBondContact OD2-OG1 3.13Å; S318-T320 WeakPolarHBondContact CB-O 3.44Å; S318-T320 PolarHBondContact OG-N 3.04Å; S318-T320 PolarHBondContact OG-O 2.92Å; T320-K461 HydrophobicContact CG2-CD 4.18Å; T320-K461 HydrophobicContact CG2-CG 4.32Å
321Q72.2Confident84.8Confident96 Ų9655.7 Ų55.745%0.44925%0.248SC..  trans-78.8137.7164.5-175.1171.2-13.900109.7E326 Y339Q321-E326 HydrophobicContact CG-CG 4.46Å; Q321-E326 PolarHBondContact NE2-OE1 2.97Å; Q321-Y339 PolarHBondContact OE1-OH 3.34Å
322T76.8Confident84.4Confident37 Ų3746.5 Ų46.523%0.22721%0.209CC..  trans-149.6155.517067.60000109.9R324 V325 E326T322-R324 PolarHBondContact O-N 2.8Å; T322-R324 VanDerWaalsContact O-N 3.1Å; T322-V325 WeakPolarHBondContact O-CA 3.49Å; T322-V325 WeakPolarHBondContact O-CB 3.4Å; T322-V325 PolarHBondContact O-N 2.83Å; T322-V325 WeakPolarHBondContact OG1-CG2 3.49Å; T322-V325 PolarHBondContact OG1-N 3.31Å; T322-E326 PolarHBondContact O-N 3.21Å
323R79.1Confident83.9Confident204 Ų20446.3 Ų46.377%0.7721%0.21SC*.Hα-helixtrans-51.9-34.8174.4-66-177.4178.7-178.9-2.3113.5E326 D327R323-E326 WeakPolarHBondContact O-CB 3.4Å; R323-E326 PolarHBondContact O-N 3.22Å; R323-D327 WeakPolarHBondContact O-CB 3.38Å; R323-D327 PolarHBondContact O-N 3.48Å; R323-D327 VanDerWaalsContact O-OD2 3.12Å
324R81.6Confident83.2Confident158 Ų15850.8 Ų50.860%0.59623%0.229SC*.Hα-helixtrans-69.7-34.6175.2-61.1-170-173.8174.81.9113.3L293 T322 L328L293-R324 HydrophobicContact CD1-CB 3.96Å; L293-R324 WeakPolarHBondContact CD1-O 3.23Å; T322-R324 PolarHBondContact O-N 2.8Å; T322-R324 VanDerWaalsContact O-N 3.1Å; R324-L328 WeakPolarHBondContact O-CB 3.33Å; R324-L328 PolarHBondContact O-N 3.04Å
325V83.7Confident81.9Confident2 Ų260.3 Ų60.31%0.01227%0.27CS..Hα-helixtrans-69.6-37.2173.4172.10000110.4L174 D290 L293 L316 T322 L328 A329L174-V325 HydrophobicContact CD1-CG1 4.42Å; D290-V325 HydrophobicContact CB-CG2 3.88Å; L293-V325 HydrophobicContact CD1-CG2 3.85Å; L316-V325 HydrophobicContact CD2-CG1 3.86Å; T322-V325 WeakPolarHBondContact O-CA 3.49Å; T322-V325 WeakPolarHBondContact O-CB 3.4Å; T322-V325 PolarHBondContact O-N 2.83Å; T322-V325 WeakPolarHBondContact OG1-CG2 3.49Å; T322-V325 PolarHBondContact OG1-N 3.31Å; V325-L328 PolarHBondContact O-N 3.27Å; V325-A329 WeakPolarHBondContact O-CB 3.35Å; V325-A329 PolarHBondContact O-N 3.27Å
326E83.9Confident81.1Confident44 Ų4468.2 Ų68.221%0.20631%0.307CS..Hα-helixtrans-66.4-41.4172.5-63156.5-157.900112Q321 T322 R323 L328 A329 R330Q321-E326 HydrophobicContact CG-CG 4.46Å; Q321-E326 PolarHBondContact NE2-OE1 2.97Å; T322-E326 PolarHBondContact O-N 3.21Å; R323-E326 WeakPolarHBondContact O-CB 3.4Å; R323-E326 PolarHBondContact O-N 3.22Å; E326-L328 VanDerWaalsContact C-N 3.32Å; E326-L328 PolarHBondContact O-N 3.44Å; E326-A329 WeakPolarHBondContact O-CB 3.44Å; E326-A329 PolarHBondContact O-N 3.26Å; E326-A329 VanDerWaalsContact O-N 3.16Å; E326-R330 VanDerWaalsContact CB-NH2 3.35Å; E326-R330 WeakPolarHBondContact O-CB 3.3Å; E326-R330 WeakPolarHBondContact O-CG 3.49Å; E326-R330 PolarHBondContact O-N 3.36Å; E326-R330 IonicContact OE2-NH2 2.83Å
327D84.4Confident80.8Confident78 Ų7870.5 Ų70.542%0.41732%0.322SS..Hα-helixtrans-63.1-38.7174.4-67.8-30000111.6R323 R330 I331R323-D327 WeakPolarHBondContact O-CB 3.38Å; R323-D327 PolarHBondContact O-N 3.48Å; R323-D327 VanDerWaalsContact O-OD2 3.12Å; D327-R330 IonicContact OD1-CZ 2.7Å; D327-R330 VanDerWaalsContact OD1-CZ 3.3Å; D327-R330 IonicContact OD1-NE 3.74Å; D327-R330 PolarHBondContact OD1-NE 3.4Å; D327-R330 IonicContact OD1-NH2 3.54Å; D327-R330 PolarHBondContact OD1-NH2 2.99Å; D327-I331 WeakPolarHBondContact O-CD1 3.21Å; D327-I331 VanDerWaalsContact O-CG1 3.3Å; D327-I331 WeakPolarHBondContact O-CG1 3.46Å; D327-I331 PolarHBondContact O-N 3.37Å
328L84.3Confident80.6Confident8 Ų872.3 Ų72.34%0.04233%0.331CS..Hα-helixtrans-65.7-39.9170.6175.561000112.2A289 L293 L301 I305 L316 R324 V325 E326 I331 S332A289-L328 HydrophobicContact CB-CD2 4.3Å; L293-L328 HydrophobicContact CD1-CB 4.27Å; L293-L328 HydrophobicContact CD1-CD2 4.01Å; L293-L328 HydrophobicContact CD2-CD2 4.21Å; L293-L328 HydrophobicContact CG-CD2 4.17Å; L301-L328 HydrophobicContact CD2-CD1 3.46Å; L301-L328 VanDerWaalsContact CD2-CD1 3.46Å; L301-L328 HydrophobicContact CD2-CD2 3.54Å; L301-L328 HydrophobicContact CD2-CG 4.14Å; L301-L328 HydrophobicContact CG-CD1 3.88Å; I305-L328 HydrophobicContact CD1-CD1 3.96Å; L316-L328 HydrophobicContact CD1-CD2 4.17Å; L316-L328 HydrophobicContact CD1-CG 4.07Å; R324-L328 WeakPolarHBondContact O-CB 3.33Å; R324-L328 PolarHBondContact O-N 3.04Å; V325-L328 PolarHBondContact O-N 3.27Å; E326-L328 VanDerWaalsContact C-N 3.32Å; E326-L328 PolarHBondContact O-N 3.44Å; L328-I331 PolarHBondContact O-N 3.42Å; L328-S332 VanDerWaalsContact O-CB 3.29Å; L328-S332 WeakPolarHBondContact O-CB 3.44Å; L328-S332 PolarHBondContact O-N 2.9Å; L328-S332 PolarHBondContact O-OG 2.82Å
329A84.3Confident80.7Confident9 Ų976.3 Ų76.37%0.07435%0.347CS..Hα-helixtrans-62.1-46.9175.300000110.9L174 L316 V325 E326 I331 S332 L333L174-A329 HydrophobicContact CD2-CB 4.38Å; L316-A329 HydrophobicContact CD1-CB 4.26Å; V325-A329 WeakPolarHBondContact O-CB 3.35Å; V325-A329 PolarHBondContact O-N 3.27Å; E326-A329 WeakPolarHBondContact O-CB 3.44Å; E326-A329 PolarHBondContact O-N 3.26Å; E326-A329 VanDerWaalsContact O-N 3.16Å; A329-I331 PolarHBondContact O-N 3.01Å; A329-I331 VanDerWaalsContact O-N 3.1Å; A329-S332 PolarHBondContact O-N 3.01Å; A329-S332 VanDerWaalsContact O-N 3.08Å; A329-L333 HydrophobicContact CB-CD1 3.84Å; A329-L333 HydrophobicContact CB-CG 4.27Å; A329-L333 WeakPolarHBondContact O-CB 3.14Å; A329-L333 WeakPolarHBondContact O-CG 3.42Å; A329-L333 PolarHBondContact O-N 2.93Å
330R85.3Confident81.1Confident160 Ų16075.9 Ų75.960%0.60434%0.342SS*.Hα-helixtrans-55.3-25.5173.7-75.2-177.3-91.6-91.53.7113.8E326 D327E326-R330 VanDerWaalsContact CB-NH2 3.35Å; E326-R330 WeakPolarHBondContact O-CB 3.3Å; E326-R330 WeakPolarHBondContact O-CG 3.49Å; E326-R330 PolarHBondContact O-N 3.36Å; E326-R330 IonicContact OE2-NH2 2.83Å; D327-R330 IonicContact OD1-CZ 2.7Å; D327-R330 VanDerWaalsContact OD1-CZ 3.3Å; D327-R330 IonicContact OD1-NE 3.74Å; D327-R330 PolarHBondContact OD1-NE 3.4Å; D327-R330 IonicContact OD1-NH2 3.54Å; D327-R330 PolarHBondContact OD1-NH2 2.99Å
331I84.3Confident81.7Confident89 Ų8975.5 Ų75.546%0.45634%0.343SS..Hα-helixtrans-94.3-26.8178.7-66.8165.6000112.6I305 D327 L328 A329I305-I331 HydrophobicContact CD1-CG2 4.4Å; I305-I331 HydrophobicContact CG2-CG2 4.27Å; D327-I331 WeakPolarHBondContact O-CD1 3.21Å; D327-I331 VanDerWaalsContact O-CG1 3.3Å; D327-I331 WeakPolarHBondContact O-CG1 3.46Å; D327-I331 PolarHBondContact O-N 3.37Å; L328-I331 PolarHBondContact O-N 3.42Å; A329-I331 PolarHBondContact O-N 3.01Å; A329-I331 VanDerWaalsContact O-N 3.1Å
332S81.8Confident81.4Confident2 Ų271.5 Ų71.51%0.01433%0.326CS..Hα-helixtrans-107.6-28.4-16760.80000115.3R312 T314 L328 A329R312-S332 PolarHBondContact NH2-O 3.27Å; T314-S332 WeakPolarHBondContact CB-O 3.34Å; T314-S332 WeakPolarHBondContact CG2-O 3.43Å; T314-S332 PolarHBondContact OG1-O 3.25Å; L328-S332 VanDerWaalsContact O-CB 3.29Å; L328-S332 WeakPolarHBondContact O-CB 3.44Å; L328-S332 PolarHBondContact O-N 2.9Å; L328-S332 PolarHBondContact O-OG 2.82Å; A329-S332 PolarHBondContact O-N 3.01Å; A329-S332 VanDerWaalsContact O-N 3.08Å
333L82.6Confident80.7Confident21 Ų2171.2 Ų71.211%0.1132%0.323CS..SBendtrans-96.4168.5-177.8-50.3-175.8000112L174 T314 L316 A329 P337L174-L333 HydrophobicContact CB-CD1 4.12Å; T314-L333 HydrophobicContact CG2-CD2 3.54Å; L316-L333 HydrophobicContact CB-CD2 4.35Å; A329-L333 HydrophobicContact CB-CD1 3.84Å; A329-L333 HydrophobicContact CB-CG 4.27Å; A329-L333 WeakPolarHBondContact O-CB 3.14Å; A329-L333 WeakPolarHBondContact O-CG 3.42Å; A329-L333 PolarHBondContact O-N 2.93Å; L333-P337 HydrophobicContact CB-CB 4.24Å; L333-P337 HydrophobicContact CB-CG 4.46Å; L333-P337 HydrophobicContact CD1-CB 3.56Å; L333-P337 HydrophobicContact CD1-CG 3.82Å; L333-P337 HydrophobicContact CG-CB 4.47Å
334K79.1Confident79.7Confident106 Ų10665.4 Ų65.446%0.46131%0.307SS..  trans-68.4173164.4-67.5175.6-161.885.60111.4D172 R312 E336D172-K334 VanDerWaalsContact CG-NZ 3.26Å; D172-K334 IonicContact OD1-NZ 3.73Å; D172-K334 PolarHBondContact OD1-NZ 3.03Å; D172-K334 WeakPolarHBondContact OD2-CB 3.2Å; D172-K334 VanDerWaalsContact OD2-CG 3.27Å; D172-K334 WeakPolarHBondContact OD2-CG 3.32Å; D172-K334 PolarHBondContact OD2-N 2.96Å; D172-K334 IonicContact OD2-NZ 3.82Å; D172-K334 PolarHBondContact OD2-NZ 3.18Å; R312-K334 WeakPolarHBondContact O-CE 3.39Å; R312-K334 PolarHBondContact O-NZ 3.37Å; K334-E336 VanDerWaalsContact C-N 3.27Å; K334-E336 PolarHBondContact O-N 2.95Å
335K68.6Low78.1Confident201 Ų20167 Ų6787%0.87432%0.321SS*.SBendtrans-55-36.7-179.8-87-168.8167.2-166.30114.4
336E77.4Confident76.8Confident166 Ų16670.6 Ų70.678%0.77634%0.336SS*.SBendtrans-126.983.5-174.4-73.4147.3-132.300109.2K334K334-E336 VanDerWaalsContact C-N 3.27Å; K334-E336 PolarHBondContact O-N 2.95Å
337P86Confident75.5Confident48 Ų4875.1 Ų75.131%0.31236%0.362SS..PPolyproline II helixtrans-82.4145.616934.3-31.9000110.3D172 L333 Y339D172-P337 HydrophobicContact CB-CB 4.23Å; D172-P337 WeakPolarHBondContact O-CA 3.46Å; L333-P337 HydrophobicContact CB-CB 4.24Å; L333-P337 HydrophobicContact CB-CG 4.46Å; L333-P337 HydrophobicContact CD1-CB 3.56Å; L333-P337 HydrophobicContact CD1-CG 3.82Å; L333-P337 HydrophobicContact CG-CB 4.47Å; P337-Y339 PolarHBondContact O-N 2.81Å
338L87.5Confident74.3Confident38 Ų3872.5 Ų72.520%0.19935%0.35CS..EExtended strand (participates in β ladder)trans-73.8121.6168.5174.466.4000108.9P166 D172 I173 L174 V340P166-L338 HydrophobicContact CB-CD2 3.57Å; P166-L338 HydrophobicContact CG-CD2 3.67Å; D172-L338 PolarHBondContact O-N 2.61Å; I173-L338 WeakPolarHBondContact CA-O 3.28Å; I173-L338 HydrophobicContact CD1-CD2 4.34Å; I173-L338 HydrophobicContact CG1-CB 4.26Å; L174-L338 PolarHBondContact N-O 2.99Å; L338-V340 HydrophobicContact CD2-CG2 4.13Å; L338-V340 HydrophobicContact CG-CG2 4Å
339Y87.1Confident73Confident88 Ų8873.4 Ų73.435%0.34536%0.358SS..EExtended strand (participates in β ladder)trans-82.3135.8169.7-177.9-113.6000110.5L174 A176 Q321 P337 D344L174-Y339 HydrophobicContact CB-CD2 4.15Å; L174-Y339 HydrophobicContact CD2-CD2 3.88Å; L174-Y339 HydrophobicContact CD2-CE2 4.29Å; L174-Y339 HydrophobicContact CG-CD2 3.79Å; L174-Y339 HydrophobicContact CG-CE2 4.15Å; L174-Y339 WeakPolarHBondContact O-CA 3.36Å; L174-Y339 WeakPolarHBondContact O-CD2 3.33Å; A176-Y339 HydrophobicContact CB-CE2 4.19Å; A176-Y339 WeakPolarHBondContact CB-OH 3.29Å; Q321-Y339 PolarHBondContact OE1-OH 3.34Å; P337-Y339 PolarHBondContact O-N 2.81Å; Y339-D344 VanDerWaalsContact CE1-OD2 3.25Å; Y339-D344 WeakPolarHBondContact CE1-OD2 3.45Å; Y339-D344 PolarHBondContact OH-OD2 2.91Å
340V84.3Confident72.3Confident10 Ų1073.2 Ų73.26%0.06136%0.356CS..EExtended strand (participates in β ladder)trans-132.888.8176-174.70000109.3I159 K162 T163 I173 L174 A176 L338 V342I159-V340 HydrophobicContact CD1-CB 4.45Å; I159-V340 HydrophobicContact CD1-CG1 3.72Å; K162-V340 HydrophobicContact CB-CG1 3.64Å; K162-V340 HydrophobicContact CD-CG1 4.17Å; T163-V340 HydrophobicContact CG2-CB 4.2Å; T163-V340 HydrophobicContact CG2-CG1 4.09Å; T163-V340 HydrophobicContact CG2-CG2 4.15Å; I173-V340 HydrophobicContact CG2-CG2 4.22Å; L174-V340 PolarHBondContact O-N 3.35Å; A176-V340 PolarHBondContact N-O 3.26Å; L338-V340 HydrophobicContact CD2-CG2 4.13Å; L338-V340 HydrophobicContact CG-CG2 4Å; V340-V342 HydrophobicContact CG1-CG2 4.42Å
341G80.7Confident71.5Confident20 Ų2067.6 Ų67.621%0.20634%0.339CS..EExtended strand (participates in β ladder)trans-86.1124.4166.600000111.2D344G341-D344 WeakPolarHBondContact CA-OD2 3.33Å
342V67.2Low70.8Confident13 Ų1369.9 Ų69.98%0.07935%0.353CS..SBendtrans-104.2-19.51771590000112.6E158 I159 K162 A176 A177 V340 K346E158-V342 HydrophobicContact CB-CG1 4.31Å; E158-V342 HydrophobicContact CG-CG1 4.39Å; E158-V342 HydrophobicContact CG-CG2 4.42Å; I159-V342 HydrophobicContact CB-CG2 4.07Å; I159-V342 HydrophobicContact CD1-CG2 3.79Å; K162-V342 HydrophobicContact CD-CG2 3.99Å; A176-V342 PolarHBondContact O-N 2.89Å; A176-V342 VanDerWaalsContact O-N 3.11Å; A177-V342 HydrophobicContact CB-CB 4.21Å; V340-V342 HydrophobicContact CG1-CG2 4.42Å; V342-K346 WeakPolarHBondContact O-CE 3.34Å; V342-K346 PolarHBondContact O-NZ 2.99Å
343D61.8Low70.5Confident30 Ų3071.6 Ų71.616%0.1637%0.37CS..SBendtrans-117.7-6.2-172.1-72.8-65.2000114.2K178 H345 K346K178-D343 WeakPolarHBondContact CD-OD1 3.46Å; K178-D343 VanDerWaalsContact CE-CG 3.42Å; K178-D343 WeakPolarHBondContact CE-OD1 3.4Å; K178-D343 VanDerWaalsContact CG-OD2 3.28Å; K178-D343 WeakPolarHBondContact CG-OD2 3.49Å; K178-D343 PolarHBondContact N-OD2 3.45Å; K178-D343 IonicContact NZ-OD1 3.09Å; K178-D343 PolarHBondContact NZ-OD1 2.87Å; D343-H345 VanDerWaalsContact C-N 3.32Å; D343-H345 PolarHBondContact O-N 3.02Å; D343-K346 WeakPolarHBondContact O-CB 3.38Å; D343-K346 PolarHBondContact O-N 3.46Å; D343-K346 IonicContact OD1-NZ 2.82Å
344D56.9Low70.5Confident83 Ų8371.3 Ų71.344%0.44437%0.369SS..THydrogen-bonded Turntrans-64.6-33.2-168.5-56.8-9.8000113.2Y339 G341Y339-D344 VanDerWaalsContact CE1-OD2 3.25Å; Y339-D344 WeakPolarHBondContact CE1-OD2 3.45Å; Y339-D344 PolarHBondContact OH-OD2 2.91Å; G341-D344 WeakPolarHBondContact CA-OD2 3.33Å
345H49.8Very low70.8Confident190 Ų19072 Ų7288%0.8837%0.374SS*.THydrogen-bonded Turntrans-90.54.8176.4-56.9-69.9000114.2D343D343-H345 VanDerWaalsContact C-N 3.32Å; D343-H345 PolarHBondContact O-N 3.02Å
346K55.4Low71.8Confident78 Ų7863.1 Ų63.134%0.33934%0.335SS..  trans-93.3144.8-177.4-67.2173.6-178148.30111.3E158 V342 D343 S348 K499E158-K346 IonicContact OE2-NZ 2.69Å; E158-K346 PolarHBondContact OE2-NZ 2.92Å; V342-K346 WeakPolarHBondContact O-CE 3.34Å; V342-K346 PolarHBondContact O-NZ 2.99Å; D343-K346 WeakPolarHBondContact O-CB 3.38Å; D343-K346 PolarHBondContact O-N 3.46Å; D343-K346 IonicContact OD1-NZ 2.82Å; K346-S348 VanDerWaalsContact C-N 3.33Å; K346-K499 PolarHBondContact O-NZ 3.48Å
347D56.3Low72.5Confident139 Ų13955.2 Ų55.274%0.74330%0.298SS*.SBendtrans-83.3-7.4-179.2-74.9-36.9000115.3K499D347-K499 WeakPolarHBondContact O-CB 3.25Å; D347-K499 IonicContact OD1-NZ 2.69Å; D347-K499 PolarHBondContact OD1-NZ 3.23Å
348S59.2Low72.8Confident24 Ų2454.6 Ų54.617%0.16829%0.29CS..  trans-114124175.8171.80000109.8K178 K346 T350K178-S348 WeakPolarHBondContact CE-O 3.3Å; K178-S348 PolarHBondContact NZ-O 3.25Å; K346-S348 VanDerWaalsContact C-N 3.33Å; S348-T350 PolarHBondContact O-N 2.92Å; S348-T350 PolarHBondContact OG-N 3.41Å; S348-T350 PolarHBondContact OG-O 2.8Å; S348-T350 VanDerWaalsContact OG-O 3.12Å; S348-T350 PolarHBondContact OG-OG1 3.37Å
349A58.2Low73.1Confident26 Ų2653 Ų5322%0.21528%0.282CS..SBendtrans-74.6-5.116900000113K178 I464 A498 K499 V500K178-A349 WeakPolarHBondContact CE-O 3.5Å; A349-I464 HydrophobicContact CB-CD1 3.81Å; A349-A498 WeakPolarHBondContact CB-O 3.43Å; A349-K499 HydrophobicContact CB-CB 4.09Å; A349-K499 PolarHBondContact N-O 3.44Å; A349-V500 HydrophobicContact CB-CG2 4.27Å
350T68.3Low73.3Confident6 Ų650.5 Ų50.54%0.03728%0.276CS..SBendtrans-108.6177.3179.937.20000112.1K178 S348 L354 Q356 V467K178-T350 VanDerWaalsContact CE-O 3.23Å; K178-T350 WeakPolarHBondContact CE-O 3.06Å; K178-T350 PolarHBondContact NZ-O 3.46Å; S348-T350 PolarHBondContact O-N 2.92Å; S348-T350 PolarHBondContact OG-N 3.41Å; S348-T350 PolarHBondContact OG-O 2.8Å; S348-T350 VanDerWaalsContact OG-O 3.12Å; S348-T350 PolarHBondContact OG-OG1 3.37Å; T350-L354 HydrophobicContact CG2-CD2 3.98Å; T350-Q356 PolarHBondContact OG1-NE2 3.39Å; T350-V467 HydrophobicContact CG2-CG2 3.9Å
351V68.9Low73.6Confident41 Ų4150 Ų5025%0.24827%0.273CS..  trans-87.8149.5173.4-63.80000110K178 G353 L354 A471K178-V351 HydrophobicContact CD-CG1 4.31Å; V351-G353 PolarHBondContact O-N 3.2Å; V351-L354 HydrophobicContact CG2-CB 3.95Å; V351-L354 VanDerWaalsContact O-CB 3.27Å; V351-L354 WeakPolarHBondContact O-CB 3.19Å; V351-L354 PolarHBondContact O-N 2.69Å; V351-A471 HydrophobicContact CG2-CB 3.61Å; V351-A471 WeakPolarHBondContact CG2-O 3.46Å
352D70.4Confident74Confident138 Ų13851.1 Ų51.174%0.73828%0.276SS*.THydrogen-bonded Turntrans-79.9-20.3-164.3-49.6-62.8000113.6L354D352-L354 PolarHBondContact O-N 2.77Å
353G74.3Confident75Confident37 Ų3751 Ų5138%0.38128%0.276SS..THydrogen-bonded Turntrans-78.21317200000115.4V351 R477 G478V351-G353 PolarHBondContact O-N 3.2Å; G353-R477 WeakPolarHBondContact O-CA 3.48Å; G353-G478 PolarHBondContact O-N 3.43Å
354L83.1Confident76.3Confident16 Ų1651.9 Ų51.98%0.08428%0.279CS..EExtended strand (participates in β ladder)trans-107.7107.9-173.3-177.873.5000112.3T350 V351 D352 Q356 V467 T470 A471 G478 A480T350-L354 HydrophobicContact CG2-CD2 3.98Å; V351-L354 HydrophobicContact CG2-CB 3.95Å; V351-L354 VanDerWaalsContact O-CB 3.27Å; V351-L354 WeakPolarHBondContact O-CB 3.19Å; V351-L354 PolarHBondContact O-N 2.69Å; D352-L354 PolarHBondContact O-N 2.77Å; L354-Q356 HydrophobicContact CD2-CG 3.57Å; L354-Q356 HydrophobicContact CG-CG 3.58Å; L354-V467 HydrophobicContact CD1-CB 4.45Å; L354-V467 HydrophobicContact CD2-CB 3.78Å; L354-V467 HydrophobicContact CD2-CG2 3.59Å; L354-T470 HydrophobicContact CD1-CG2 3.35Å; L354-A471 HydrophobicContact CB-CB 4.04Å; L354-A471 HydrophobicContact CD1-CB 4.21Å; L354-G478 WeakPolarHBondContact CA-O 3.47Å; L354-A480 HydrophobicContact CD1-CB 4.39Å
355E86.6Confident77.8Confident119 Ų11952.3 Ų52.356%0.55628%0.277SS*.EExtended strand (participates in β ladder)trans-75.4124.5167.8-69.4-174.7-167.100110.4G478 H479 A480E355-G478 PolarHBondContact N-O 3.12Å; E355-H479 CarbonylContact O-C 3.45Å; E355-H479 WeakPolarHBondContact O-CA 3.2Å; E355-H479 IonicContact OE2-CD2 3.64Å; E355-A480 PolarHBondContact O-N 2.7Å
356Q88.9Confident79.7Confident15 Ų1543.5 Ų43.57%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-123.9128.9-174.9-60.2-177.891.400111.2T350 L354 Y463 A480 L502 S503T350-Q356 PolarHBondContact OG1-NE2 3.39Å; L354-Q356 HydrophobicContact CD2-CG 3.57Å; L354-Q356 HydrophobicContact CG-CG 3.58Å; Q356-Y463 PolarHBondContact OE1-OH 3.45Å; Q356-A480 HydrophobicContact CG-CB 4.26Å; Q356-L502 HydrophobicContact CB-CG 4.39Å; Q356-S503 PolarHBondContact O-N 2.87Å; Q356-S503 PolarHBondContact O-OG 2.93Å
357G91.3Very high81.4Confident0 Ų039.8 Ų39.80%022%0.22CC..EExtended strand (participates in β ladder)trans-154167.7172.100000115.2A480 L481 L482 S503 F505G357-A480 PolarHBondContact N-O 2.7Å; G357-L481 WeakPolarHBondContact O-CA 3.39Å; G357-L482 PolarHBondContact O-N 3.22Å; G357-S503 CarbonylContact C-O 3.57Å; G357-S503 WeakPolarHBondContact CA-O 3.22Å; G357-F505 VanDerWaalsContact CA-CE2 3.45Å
358Y93.5Very high83Confident35 Ų3533.9 Ų33.914%0.13719%0.188CC..EExtended strand (participates in β ladder)trans-121.8157.4178.769.5-84.6000112.1V360 L482 L489 L492 L502 S503 E504 F505Y358-V360 HydrophobicContact CD2-CG2 4.09Å; Y358-V360 HydrophobicContact CE2-CG2 3.91Å; Y358-L482 CarbonylContact C-O 3.54Å; Y358-L482 WeakPolarHBondContact CA-O 3.29Å; Y358-L482 WeakPolarHBondContact CB-O 3.46Å; Y358-L489 HydrophobicContact CD2-CD2 4.41Å; Y358-L489 HydrophobicContact CE2-CD2 3.93Å; Y358-L492 HydrophobicContact CD1-CD1 4.11Å; Y358-L492 HydrophobicContact CD1-CD2 3.88Å; Y358-L492 HydrophobicContact CD2-CD1 4.09Å; Y358-L492 HydrophobicContact CE1-CD1 3.73Å; Y358-L492 HydrophobicContact CE1-CD2 4.24Å; Y358-L492 HydrophobicContact CE2-CD1 3.73Å; Y358-L492 HydrophobicContact CG-CD1 4.28Å; Y358-L492 HydrophobicContact CG-CD2 4.08Å; Y358-L502 HydrophobicContact CD1-CB 4.05Å; Y358-S503 WeakPolarHBondContact CD1-O 3.37Å; Y358-S503 WeakPolarHBondContact CE1-O 3.46Å; Y358-S503 PolarHBondContact N-O 2.89Å; Y358-E504 HydrophobicContact CD2-CG 4.23Å; Y358-E504 HydrophobicContact CE1-CB 3.87Å; Y358-E504 HydrophobicContact CE1-CG 4.39Å; Y358-E504 HydrophobicContact CE2-CB 4.05Å; Y358-E504 VanDerWaalsContact CE2-CD 3.42Å; Y358-E504 HydrophobicContact CE2-CG 3.67Å; Y358-E504 WeakPolarHBondContact CE2-OE2 3.29Å; Y358-E504 VanDerWaalsContact CZ-OE2 3.23Å; Y358-E504 PolarHBondContact OH-OE2 3.25Å; Y358-F505 PolarHBondContact O-N 3.17Å
359V92.7Very high84.5Confident6 Ų632.9 Ų32.94%0.03618%0.181CC..EExtended strand (participates in β ladder)trans-128.1127.2171.5171.70000108.8C361 L369 L481 L482 L484 F505 F507V359-C361 PolarHBondContact O-N 2.87Å; V359-L369 HydrophobicContact CG1-CD2 3.87Å; V359-L481 HydrophobicContact CB-CD1 4.14Å; V359-L481 HydrophobicContact CG2-CD1 3.56Å; V359-L482 PolarHBondContact N-O 2.91Å; V359-L484 PolarHBondContact O-N 2.84Å; V359-F505 HydrophobicContact CG2-CB 3.95Å; V359-F507 HydrophobicContact CG1-CB 4.06Å; V359-F507 HydrophobicContact CG2-CB 4.42Å
360V91.9Very high86.1Confident35 Ų3531.7 Ų31.721%0.21217%0.171CC..EExtended strand (participates in β ladder)trans-80.8113.3172.5-1720000109.7Y358 L484 P486 L489Y358-V360 HydrophobicContact CD2-CG2 4.09Å; Y358-V360 HydrophobicContact CE2-CG2 3.91Å; V360-L484 CarbonylContact C-O 3.39Å; V360-L484 WeakPolarHBondContact CA-O 3.5Å; V360-P486 HydrophobicContact CG1-CB 4.25Å; V360-P486 HydrophobicContact CG1-CG 3.78Å; V360-L489 HydrophobicContact CG2-CD2 3.77Å; V360-L489 HydrophobicContact CG2-CG 4.49Å
361C89.8Confident87.2Confident0 Ų031.8 Ų31.80%017%0.171CC..  trans-124.2123.6-175.5-172.20000112V359 R366 L369 I483 L484 R485 W509V359-C361 PolarHBondContact O-N 2.87Å; C361-R366 HydrophobicContact CB-CG 3.93Å; C361-R366 VanDerWaalsContact SG-CA 3.53Å; C361-R366 WeakPolarHBondContact SG-CG 3.25Å; C361-R366 PolarHBondContact SG-N 3.35Å; C361-L369 HydrophobicContact CB-CD2 3.96Å; C361-I483 HydrophobicContact CB-CG2 3.92Å; C361-L484 PolarHBondContact N-O 3.34Å; C361-R485 WeakPolarHBondContact O-CA 3.29Å; C361-W509 HydrophobicContact CB-CH2 4.29Å
362P90.2Very high88.2Confident42 Ų4230 Ų3027%0.27316%0.16SC..  trans-55.2144.8166-26.637000112.3E364 K365 R366P362-E364 VanDerWaalsContact C-N 3.27Å; P362-E364 WeakPolarHBondContact CB-OE1 3.45Å; P362-E364 WeakPolarHBondContact CB-OE2 3.43Å; P362-E364 PolarHBondContact O-N 2.96Å; P362-K365 PolarHBondContact O-N 3.19Å; P362-K365 VanDerWaalsContact O-N 3.08Å; P362-R366 PolarHBondContact O-N 2.71Å
363S88.4Confident89.2Confident10 Ų1024.5 Ų24.57%0.0713%0.129CC..G310 helixtrans-50.6-45.5-172.7-640000113.5K365 R366 R485 S566S363-K365 VanDerWaalsContact C-N 3.3Å; S363-K365 PolarHBondContact O-N 3.08Å; S363-R366 PolarHBondContact O-N 3.1Å; S363-R485 WeakPolarHBondContact OG-CD 3.47Å; S363-S566 VanDerWaalsContact O-CB 3.23Å; S363-S566 WeakPolarHBondContact O-CB 3.34Å; S363-S566 PolarHBondContact O-OG 2.95Å
364E87.9Confident90.1Very high49 Ų4922.7 Ų22.723%0.22911%0.111CC..G310 helixtrans-71.3-24.7-173.671.1-66.7164.700112.3P362 M562 L565P362-E364 VanDerWaalsContact C-N 3.27Å; P362-E364 WeakPolarHBondContact CB-OE1 3.45Å; P362-E364 WeakPolarHBondContact CB-OE2 3.43Å; P362-E364 PolarHBondContact O-N 2.96Å; E364-M562 VanDerWaalsContact CA-O 3.22Å; E364-M562 WeakPolarHBondContact CA-O 3.43Å; E364-M562 HydrophobicContact CB-CB 4.27Å; E364-M562 WeakPolarHBondContact CB-O 3.38Å; E364-M562 HydrophobicContact CB-SD 4.18Å; E364-M562 HydrophobicContact CG-SD 4.16Å; E364-M562 PolarHBondContact N-O 3.01Å; E364-L565 HydrophobicContact CB-CB 4.04Å; E364-L565 HydrophobicContact CB-CD1 4.18Å
365K88.3Confident90.4Very high92 Ų9226.6 Ų26.640%0.413%0.127SC..G310 helixtrans-94.6-7-179-56-172.2-175.9179.20114.5P362 S363 F367 L368 L369 W509P362-K365 PolarHBondContact O-N 3.19Å; P362-K365 VanDerWaalsContact O-N 3.08Å; S363-K365 VanDerWaalsContact C-N 3.3Å; S363-K365 PolarHBondContact O-N 3.08Å; K365-F367 PolarHBondContact O-N 3Å; K365-L368 PolarHBondContact O-N 3.05Å; K365-L368 VanDerWaalsContact O-N 3.12Å; K365-L369 PolarHBondContact O-N 3.14Å; K365-W509 HydrophobicContact CB-CH2 4.35Å; K365-W509 HydrophobicContact CB-CZ3 3.73Å; K365-W509 HydrophobicContact CD-CE3 3.82Å; K365-W509 HydrophobicContact CD-CH2 4.46Å; K365-W509 HydrophobicContact CD-CZ3 3.62Å; K365-W509 HydrophobicContact CG-CZ3 4.3Å
366R89.9Confident90.5Very high6 Ų626.7 Ų26.72%0.02313%0.126CC..Hα-helixtrans-56.8-44.8-174.3-76.4175.765-157-8.9113C361 P362 S363 L369 L370 Y454 D455 I483 Y540C361-R366 HydrophobicContact CB-CG 3.93Å; C361-R366 VanDerWaalsContact SG-CA 3.53Å; C361-R366 WeakPolarHBondContact SG-CG 3.25Å; C361-R366 PolarHBondContact SG-N 3.35Å; P362-R366 PolarHBondContact O-N 2.71Å; S363-R366 PolarHBondContact O-N 3.1Å; R366-L369 PolarHBondContact O-N 2.86Å; R366-L370 PolarHBondContact O-N 3.04Å; R366-Y454 HydrophobicContact CB-CE2 3.99Å; R366-Y454 WeakPolarHBondContact CB-OH 3.46Å; R366-Y454 PolarHBondContact NH2-O 2.93Å; R366-Y454 WeakPolarHBondContact O-CE2 3.5Å; R366-D455 IonicContact CZ-OD1 3.65Å; R366-D455 IonicContact NH2-OD1 3.93Å; R366-D455 PolarHBondContact NH2-OD1 2.86Å; R366-I483 HydrophobicContact CG-CG2 4.15Å; R366-Y540 PolarHBondContact NH1-OH 3.03Å
367F90.9Very high90.6Very high0 Ų027.5 Ų27.50%013%0.131CC..Hα-helixtrans-66.5-39.1177.9-179.2-102.2000112.7K365 L369 L370 F371 H395 L398 L399 Y454 I515 L519K365-F367 PolarHBondContact O-N 3Å; F367-L369 VanDerWaalsContact C-N 3.34Å; F367-L369 PolarHBondContact O-N 2.83Å; F367-L370 PolarHBondContact O-N 3Å; F367-F371 HydrophobicContact CE1-CB 4.28Å; F367-F371 HydrophobicContact CZ-CB 4.32Å; F367-F371 WeakPolarHBondContact O-CB 3.42Å; F367-F371 PolarHBondContact O-N 3.49Å; F367-H395 AromaticContact CD2-CD2 3.76Å; F367-H395 AromaticContact CD2-NE2 3.83Å; F367-H395 AromaticContact CE2-CD2 3.86Å; F367-L398 HydrophobicContact CD2-CD2 4.28Å; F367-L398 HydrophobicContact CE1-CD2 3.95Å; F367-L398 HydrophobicContact CE2-CD2 3.54Å; F367-L398 HydrophobicContact CE2-CG 4.42Å; F367-L398 HydrophobicContact CZ-CD2 3.35Å; F367-L398 HydrophobicContact CZ-CG 3.97Å; F367-L399 HydrophobicContact CE2-CD2 4.01Å; F367-L399 HydrophobicContact CZ-CD2 3.84Å; F367-Y454 PolarHBondContact N-OH 2.84Å; F367-I515 HydrophobicContact CD1-CD1 4.16Å; F367-I515 HydrophobicContact CE1-CD1 3.68Å; F367-L519 HydrophobicContact CD1-CD1 4.49Å; F367-L519 HydrophobicContact CD1-CD2 3.77Å; F367-L519 HydrophobicContact CE1-CD1 4.16Å; F367-L519 HydrophobicContact CE1-CD2 4.21Å
368L90Very high90.4Very high15 Ų1532.6 Ų32.68%0.07915%0.15CC..Hα-helixtrans-67-36.6178.9-63.191.1000111.8K365 T372 I512 I515 Q516K365-L368 PolarHBondContact O-N 3.05Å; K365-L368 VanDerWaalsContact O-N 3.12Å; L368-T372 WeakPolarHBondContact O-CB 3.45Å; L368-T372 PolarHBondContact O-N 3.13Å; L368-T372 PolarHBondContact O-OG1 3.25Å; L368-I512 HydrophobicContact CB-CG2 3.66Å; L368-I512 HydrophobicContact CD2-CG2 4.38Å; L368-I515 HydrophobicContact CD2-CG1 4.12Å; L368-I515 HydrophobicContact CG-CG1 4.05Å; L368-Q516 HydrophobicContact CD2-CB 4.36Å
369L90.6Very high90.2Very high3 Ų342 Ų422%0.01619%0.185CC..Hα-helixtrans-60.4-53.1171-176.572.7000110.6V359 C361 K365 R366 F367 T372 F373 I483 F507 I512V359-L369 HydrophobicContact CG1-CD2 3.87Å; C361-L369 HydrophobicContact CB-CD2 3.96Å; K365-L369 PolarHBondContact O-N 3.14Å; R366-L369 PolarHBondContact O-N 2.86Å; F367-L369 VanDerWaalsContact C-N 3.34Å; F367-L369 PolarHBondContact O-N 2.83Å; L369-T372 PolarHBondContact O-N 3.49Å; L369-F373 WeakPolarHBondContact O-CB 3.43Å; L369-F373 PolarHBondContact O-N 2.96Å; L369-I483 HydrophobicContact CD2-CD1 4.03Å; L369-I483 HydrophobicContact CD2-CG1 4.2Å; L369-I483 HydrophobicContact CD2-CG2 4.27Å; L369-F507 HydrophobicContact CD1-CD1 3.71Å; L369-F507 HydrophobicContact CD1-CD2 3.69Å; L369-F507 HydrophobicContact CD1-CE1 3.71Å; L369-F507 HydrophobicContact CD1-CE2 3.64Å; L369-F507 HydrophobicContact CD1-CG 3.71Å; L369-F507 HydrophobicContact CD1-CZ 3.65Å; L369-I512 HydrophobicContact CB-CD1 4.49Å; L369-I512 HydrophobicContact CD1-CD1 4.21Å
370L91.8Very high90Very high1 Ų145.1 Ų45.11%0.00520%0.198CC..Hα-helixtrans-58.9-50.2178.6178.567.4000111.8R366 F367 T372 F373 L374 V384 F386 V452 Y454R366-L370 PolarHBondContact O-N 3.04Å; F367-L370 PolarHBondContact O-N 3Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-T372 PolarHBondContact O-N 3.48Å; L370-F373 PolarHBondContact O-N 2.78Å; L370-L374 HydrophobicContact CD1-CD1 3.91Å; L370-L374 HydrophobicContact CD1-CD2 4.44Å; L370-L374 HydrophobicContact CD1-CG 3.96Å; L370-L374 HydrophobicContact CD2-CD1 4.45Å; L370-L374 HydrophobicContact CG-CD1 3.9Å; L370-L374 HydrophobicContact CG-CG 4.27Å; L370-L374 WeakPolarHBondContact O-CB 3.38Å; L370-L374 WeakPolarHBondContact O-CG 3.32Å; L370-L374 PolarHBondContact O-N 3.48Å; L370-V384 HydrophobicContact CD1-CG1 3.84Å; L370-V384 HydrophobicContact CD1-CG2 4.37Å; L370-V384 HydrophobicContact CD2-CG1 4.38Å; L370-F386 HydrophobicContact CD2-CE1 4.34Å; L370-F386 HydrophobicContact CD2-CZ 4.05Å; L370-V452 HydrophobicContact CD1-CG1 4.06Å; L370-Y454 HydrophobicContact CB-CD2 3.89Å; L370-Y454 HydrophobicContact CB-CE2 3.79Å; L370-Y454 HydrophobicContact CD1-CD2 4.21Å; L370-Y454 HydrophobicContact CD2-CD2 3.66Å; L370-Y454 HydrophobicContact CD2-CE2 3.84Å; L370-Y454 HydrophobicContact CD2-CG 4.23Å; L370-Y454 HydrophobicContact CG-CD2 4.12Å; L370-Y454 HydrophobicContact CG-CE2 4.35Å
371F91.5Very high90Very high8 Ų844 Ų444%0.03519%0.191CC..Hα-helixtrans-59.3-45.5178.9176.4-97.9000111.7F367 F373 K375 L399 I402 I515F367-F371 HydrophobicContact CE1-CB 4.28Å; F367-F371 HydrophobicContact CZ-CB 4.32Å; F367-F371 WeakPolarHBondContact O-CB 3.42Å; F367-F371 PolarHBondContact O-N 3.49Å; F371-F373 VanDerWaalsContact C-N 3.33Å; F371-F373 PolarHBondContact O-N 3.21Å; F371-K375 HydrophobicContact CE1-CD 3.81Å; F371-K375 HydrophobicContact CZ-CD 4.04Å; F371-K375 WeakPolarHBondContact O-CB 3.33Å; F371-K375 PolarHBondContact O-N 3.33Å; F371-L399 HydrophobicContact CD2-CD2 3.89Å; F371-I402 HydrophobicContact CE2-CB 4.35Å; F371-I402 HydrophobicContact CE2-CG2 3.69Å; F371-I402 HydrophobicContact CZ-CG2 3.9Å; F371-I515 HydrophobicContact CB-CD1 4.07Å; F371-I515 HydrophobicContact CD1-CD1 3.59Å; F371-I515 HydrophobicContact CD1-CG1 4.47Å; F371-I515 HydrophobicContact CD1-CG2 4.48Å; F371-I515 HydrophobicContact CD2-CD1 4.3Å; F371-I515 HydrophobicContact CE1-CD1 4.04Å; F371-I515 HydrophobicContact CE1-CG2 4.11Å; F371-I515 HydrophobicContact CG-CD1 3.72Å
372T90.5Very high90.2Very high2 Ų244 Ų441%0.01219%0.191CC..Hα-helixtrans-60.8-42.9176.8-64.40000111.5L368 L369 L370 K376 F507 K511 S513L368-T372 WeakPolarHBondContact O-CB 3.45Å; L368-T372 PolarHBondContact O-N 3.13Å; L368-T372 PolarHBondContact O-OG1 3.25Å; L369-T372 PolarHBondContact O-N 3.49Å; L370-T372 VanDerWaalsContact C-N 3.35Å; L370-T372 PolarHBondContact O-N 3.48Å; T372-K376 HydrophobicContact CG2-CD 4.18Å; T372-K376 VanDerWaalsContact CG2-NZ 3.31Å; T372-K376 WeakPolarHBondContact O-CG 3.38Å; T372-K376 PolarHBondContact O-N 2.85Å; T372-K376 VanDerWaalsContact O-N 3.13Å; T372-F507 HydrophobicContact CG2-CZ 4.4Å; T372-K511 VanDerWaalsContact CG2-O 3.28Å; T372-K511 WeakPolarHBondContact CG2-O 3.46Å; T372-S513 PolarHBondContact OG1-N 3.25Å; T372-S513 VanDerWaalsContact OG1-N 3.11Å
373F91.1Very high90.3Very high23 Ų2342 Ų4210%0.10118%0.178CC..Hα-helixtrans-65.8-50.8179.3-178.1-90.1000111.8L369 L370 F371 K375 K376 N377 L382 W450 V452 L481L369-F373 WeakPolarHBondContact O-CB 3.43Å; L369-F373 PolarHBondContact O-N 2.96Å; L370-F373 PolarHBondContact O-N 2.78Å; F371-F373 VanDerWaalsContact C-N 3.33Å; F371-F373 PolarHBondContact O-N 3.21Å; F373-K375 VanDerWaalsContact C-N 3.31Å; F373-K375 PolarHBondContact O-N 3.28Å; F373-K376 PolarHBondContact O-N 2.95Å; F373-N377 WeakPolarHBondContact CE1-ND2 3.45Å; F373-N377 WeakPolarHBondContact CE2-ND2 3.29Å; F373-N377 WeakPolarHBondContact CZ-ND2 3.49Å; F373-N377 PolarHBondContact O-N 3.22Å; F373-L382 HydrophobicContact CD1-CD2 4.33Å; F373-L382 HydrophobicContact CE1-CD2 3.6Å; F373-L382 HydrophobicContact CZ-CD2 4.44Å; F373-W450 HydrophobicContact CE2-CD2 4.44Å; F373-W450 HydrophobicContact CE2-CE3 4.23Å; F373-W450 HydrophobicContact CE2-CH2 4.49Å; F373-W450 HydrophobicContact CE2-CZ3 4.26Å; F373-W450 AromaticContact CZ-CD2 3.62Å; F373-W450 HydrophobicContact CZ-CD2 3.62Å; F373-W450 AromaticContact CZ-CE3 3.56Å; F373-W450 HydrophobicContact CZ-CE3 3.56Å; F373-W450 HydrophobicContact CZ-CG 4.05Å; F373-W450 HydrophobicContact CZ-CZ3 4.05Å; F373-V452 HydrophobicContact CD1-CG2 3.88Å; F373-V452 HydrophobicContact CE1-CG2 3.34Å; F373-V452 HydrophobicContact CZ-CG2 4.07Å; F373-L481 HydrophobicContact CD2-CD2 3.96Å; F373-L481 HydrophobicContact CE2-CD2 3.82Å; F373-L481 HydrophobicContact CG-CD2 4.36Å; F373-L481 HydrophobicContact CZ-CD2 4.12Å
374L92.3Very high90.6Very high0 Ų041.5 Ų41.50%017%0.174CC..Hα-helixtrans-62.3-37.3177-65.8179.9000112.2L370 N377 R378 L382 V384 L399 L404 I432L370-L374 HydrophobicContact CD1-CD1 3.91Å; L370-L374 HydrophobicContact CD1-CD2 4.44Å; L370-L374 HydrophobicContact CD1-CG 3.96Å; L370-L374 HydrophobicContact CD2-CD1 4.45Å; L370-L374 HydrophobicContact CG-CD1 3.9Å; L370-L374 HydrophobicContact CG-CG 4.27Å; L370-L374 WeakPolarHBondContact O-CB 3.38Å; L370-L374 WeakPolarHBondContact O-CG 3.32Å; L370-L374 PolarHBondContact O-N 3.48Å; L374-N377 PolarHBondContact O-N 3.27Å; L374-R378 WeakPolarHBondContact O-CG 3.12Å; L374-R378 PolarHBondContact O-N 3.07Å; L374-L382 HydrophobicContact CD2-CD2 4.21Å; L374-V384 HydrophobicContact CD1-CG2 4.47Å; L374-V384 HydrophobicContact CD2-CG2 3.89Å; L374-L399 HydrophobicContact CD1-CD1 3.95Å; L374-L404 HydrophobicContact CB-CD2 3.89Å; L374-L404 HydrophobicContact CD1-CD2 4.01Å; L374-I432 HydrophobicContact CB-CD1 4.04Å; L374-I432 HydrophobicContact CD1-CG2 4.27Å; L374-I432 HydrophobicContact CD2-CD1 4.04Å; L374-I432 HydrophobicContact CD2-CG1 4.15Å; L374-I432 HydrophobicContact CD2-CG2 3.93Å; L374-I432 HydrophobicContact CG-CD1 4.44Å
375K90Very high90.9Very high97 Ų9739.2 Ų39.242%0.42216%0.164SC..Hα-helixtrans-65.7-34.4176.8-175.9173.9177.3-178.40112.8F371 F373 R378F371-K375 HydrophobicContact CE1-CD 3.81Å; F371-K375 HydrophobicContact CZ-CD 4.04Å; F371-K375 WeakPolarHBondContact O-CB 3.33Å; F371-K375 PolarHBondContact O-N 3.33Å; F373-K375 VanDerWaalsContact C-N 3.31Å; F373-K375 PolarHBondContact O-N 3.28Å; K375-R378 WeakPolarHBondContact O-CG 3.29Å
376K90.1Very high91.2Very high121 Ų12134.8 Ų34.853%0.52614%0.144SC..Hα-helixtrans-73.2-41.9174-72.6168.6-174.1170.70111.7T372 F373 R378 K511T372-K376 HydrophobicContact CG2-CD 4.18Å; T372-K376 VanDerWaalsContact CG2-NZ 3.31Å; T372-K376 WeakPolarHBondContact O-CG 3.38Å; T372-K376 PolarHBondContact O-N 2.85Å; T372-K376 VanDerWaalsContact O-N 3.13Å; F373-K376 PolarHBondContact O-N 2.95Å; K376-R378 PolarHBondContact O-N 3.06Å; K376-K511 PolarHBondContact NZ-O 3.03Å
377N89.8Confident91.2Very high32 Ų3236.3 Ų36.317%0.17116%0.156CC..SBendtrans-90.918.4-174.6-70.5-39.1000115.1F373 L374 R379 K380 L382F373-N377 WeakPolarHBondContact CE1-ND2 3.45Å; F373-N377 WeakPolarHBondContact CE2-ND2 3.29Å; F373-N377 WeakPolarHBondContact CZ-ND2 3.49Å; F373-N377 PolarHBondContact O-N 3.22Å; L374-N377 PolarHBondContact O-N 3.27Å; N377-R379 PolarHBondContact O-N 3.39Å; N377-K380 WeakPolarHBondContact O-CB 3.17Å; N377-K380 PolarHBondContact O-N 3.05Å; N377-L382 HydrophobicContact CB-CD1 4.07Å; N377-L382 HydrophobicContact CB-CD2 3.84Å; N377-L382 WeakPolarHBondContact O-CD1 3.37Å
378R87.6Confident91.2Very high107 Ų10737 Ų3740%0.40416%0.161SC..THydrogen-bonded Turntrans-52-20.9-175.1-78.4177.6168.5-160.9-13116.9L374 K375 K376 D403 L404L374-R378 WeakPolarHBondContact O-CG 3.12Å; L374-R378 PolarHBondContact O-N 3.07Å; K375-R378 WeakPolarHBondContact O-CG 3.29Å; K376-R378 PolarHBondContact O-N 3.06Å; R378-D403 PolarHBondContact NH2-O 2.91Å; R378-D403 VanDerWaalsContact NH2-O 3.15Å; R378-L404 HydrophobicContact CG-CD1 3.78Å
379R88.2Confident91.4Very high232 Ų23237.6 Ų37.688%0.87517%0.166SC*.THydrogen-bonded Turntrans-97.60.1179.4-67.1-174.9177.5-179.4-1.1114.3N377 S430N377-R379 PolarHBondContact O-N 3.39Å; R379-S430 VanDerWaalsContact O-CB 3.22Å; R379-S430 WeakPolarHBondContact O-CB 3.27Å
380K90.3Very high91.5Very high72 Ų7238.9 Ų38.931%0.31317%0.172SC..SBendtrans-100.1170.8179-77.8-178169.2-940110.7N377 L382 G431 D449N377-K380 WeakPolarHBondContact O-CB 3.17Å; N377-K380 PolarHBondContact O-N 3.05Å; K380-L382 HydrophobicContact CB-CD1 4Å; K380-L382 WeakPolarHBondContact O-CD1 3.42Å; K380-G431 PolarHBondContact O-N 2.8Å; K380-D449 WeakPolarHBondContact CA-OD2 3.28Å; K380-D449 HydrophobicContact CB-CB 3.99Å; K380-D449 VanDerWaalsContact CB-OD2 3.22Å; K380-D449 WeakPolarHBondContact CB-OD2 3.23Å; K380-D449 HydrophobicContact CD-CB 3.99Å; K380-D449 WeakPolarHBondContact CD-OD1 3.47Å; K380-D449 HydrophobicContact CG-CB 4.2Å; K380-D449 WeakPolarHBondContact CG-OD1 3.27Å; K380-D449 IonicContact NZ-OD1 3.99Å; K380-D449 PolarHBondContact NZ-OD1 3.48Å
381K91.8Very high91.6Very high12 Ų1238.9 Ų38.95%0.05217%0.172CC..EExtended strand (participates in β ladder)trans-97.2118.9172.4-162.7165.8-172.7162.30108.9F425 C426 A428 G431 P446 V448 D449 W450K381-F425 WeakPolarHBondContact CE-O 3.43Å; K381-F425 HydrophobicContact CG-CE2 3.74Å; K381-F425 HydrophobicContact CG-CZ 3.71Å; K381-F425 PolarHBondContact NZ-O 3.1Å; K381-C426 PolarHBondContact NZ-O 2.97Å; K381-A428 VanDerWaalsContact CE-O 3.27Å; K381-A428 WeakPolarHBondContact CE-O 3.18Å; K381-A428 PolarHBondContact NZ-O 3.36Å; K381-G431 WeakPolarHBondContact CA-O 3.45Å; K381-P446 WeakPolarHBondContact CE-O 3.4Å; K381-P446 PolarHBondContact NZ-O 3.27Å; K381-V448 VanDerWaalsContact O-CG1 3.23Å; K381-V448 WeakPolarHBondContact O-CG1 3.21Å; K381-D449 PolarHBondContact N-OD2 3.21Å; K381-D449 WeakPolarHBondContact O-CB 3.29Å; K381-D449 PolarHBondContact O-N 3.47Å; K381-W450 PolarHBondContact O-N 2.98Å
382L92.8Very high91.8Very high0 Ų038.5 Ų38.50%017%0.171CC..EExtended strand (participates in β ladder)trans-129.7140.9-173.2-59.7103.6000112.3F373 L374 N377 K380 F425 G431 I432 L433 W450F373-L382 HydrophobicContact CD1-CD2 4.33Å; F373-L382 HydrophobicContact CE1-CD2 3.6Å; F373-L382 HydrophobicContact CZ-CD2 4.44Å; L374-L382 HydrophobicContact CD2-CD2 4.21Å; N377-L382 HydrophobicContact CB-CD1 4.07Å; N377-L382 HydrophobicContact CB-CD2 3.84Å; N377-L382 WeakPolarHBondContact O-CD1 3.37Å; K380-L382 HydrophobicContact CB-CD1 4Å; K380-L382 WeakPolarHBondContact O-CD1 3.42Å; L382-F425 WeakPolarHBondContact O-CZ 3.21Å; L382-G431 PolarHBondContact N-O 2.83Å; L382-I432 HydrophobicContact CB-CG1 4.34Å; L382-I432 HydrophobicContact CD1-CG1 3.91Å; L382-I432 WeakPolarHBondContact O-CA 3.47Å; L382-L433 PolarHBondContact O-N 3.26Å; L382-W450 WeakPolarHBondContact CA-O 3.3Å; L382-W450 HydrophobicContact CD2-CB 3.71Å; L382-W450 HydrophobicContact CD2-CG 4.28Å; L382-W450 HydrophobicContact CG-CB 4.06Å
383M93.1Very high92Very high0 Ų041 Ų410%018%0.181CC..EExtended strand (participates in β ladder)trans-112.4138.6164-66.3178.77100110.3F385 F425 L433 A439 I445 V448 W450 I451 V452 R469M383-F385 HydrophobicContact CB-CE2 4.31Å; M383-F385 HydrophobicContact CE-CE1 4.28Å; M383-F385 HydrophobicContact CE-CE2 4.16Å; M383-F385 HydrophobicContact CE-CZ 3.58Å; M383-F425 HydrophobicContact CG-CE1 3.7Å; M383-F425 HydrophobicContact CG-CZ 3.96Å; M383-F425 HydrophobicContact SD-CE1 4.28Å; M383-L433 CarbonylContact C-O 3.53Å; M383-L433 WeakPolarHBondContact CA-O 3.49Å; M383-L433 HydrophobicContact CE-CD2 4.16Å; M383-L433 HydrophobicContact CG-CB 4.39Å; M383-L433 HydrophobicContact CG-CD2 4.43Å; M383-A439 HydrophobicContact CE-CB 4.13Å; M383-I445 HydrophobicContact CE-CD1 3.55Å; M383-I445 HydrophobicContact SD-CD1 3.52Å; M383-I445 VanDerWaalsContact SD-CD1 3.52Å; M383-V448 HydrophobicContact CB-CG1 4.44Å; M383-V448 HydrophobicContact CG-CG1 3.99Å; M383-V448 HydrophobicContact CG-CG2 4.24Å; M383-V448 HydrophobicContact SD-CG2 4.03Å; M383-W450 PolarHBondContact N-O 3Å; M383-I451 HydrophobicContact CB-CD1 3.85Å; M383-I451 HydrophobicContact CG-CD1 4.24Å; M383-I451 HydrophobicContact SD-CD1 4.05Å; M383-V452 PolarHBondContact O-N 3.49Å; M383-R469 HydrophobicContact CE-CG 4.25Å; M383-R469 HydrophobicContact SD-CB 3.83Å; M383-R469 HydrophobicContact SD-CG 4.12Å
384V94.8Very high92.2Very high0 Ų039.9 Ų39.90%018%0.176CC..EExtended strand (participates in β ladder)trans-122.1114.1176.8-1690000109.5L370 L374 F386 I432 L433 L434 C435 V452L370-V384 HydrophobicContact CD1-CG1 3.84Å; L370-V384 HydrophobicContact CD1-CG2 4.37Å; L370-V384 HydrophobicContact CD2-CG1 4.38Å; L374-V384 HydrophobicContact CD1-CG2 4.47Å; L374-V384 HydrophobicContact CD2-CG2 3.89Å; V384-F386 HydrophobicContact CB-CE2 3.83Å; V384-F386 HydrophobicContact CB-CZ 4.4Å; V384-F386 HydrophobicContact CG1-CD2 4.21Å; V384-F386 HydrophobicContact CG1-CE2 3.44Å; V384-F386 VanDerWaalsContact CG1-CE2 3.44Å; V384-F386 HydrophobicContact CG1-CZ 3.63Å; V384-F386 WeakPolarHBondContact O-CD2 3.46Å; V384-I432 HydrophobicContact CG2-CG2 4.17Å; V384-L433 PolarHBondContact N-O 2.84Å; V384-L434 HydrophobicContact CB-CD2 3.8Å; V384-L434 HydrophobicContact CG1-CD2 4.49Å; V384-L434 HydrophobicContact CG2-CD2 3.81Å; V384-C435 PolarHBondContact O-N 2.71Å; V384-V452 CarbonylContact C-O 3.5Å; V384-V452 VanDerWaalsContact CA-O 3.29Å; V384-V452 WeakPolarHBondContact CA-O 3.4Å; V384-V452 HydrophobicContact CG1-CB 4.29Å; V384-V452 HydrophobicContact CG1-CG1 4.29Å; V384-V452 HydrophobicContact CG2-CB 4.3Å
385F94.5Very high92.4Very high0 Ų039.9 Ų39.90%018%0.177CC..EExtended strand (participates in β ladder)trans-91.1130.3179.9-73.3-76.2000112.5M383 C435 A439 A440 I451 V452 Y454 D455 R466 R469M383-F385 HydrophobicContact CB-CE2 4.31Å; M383-F385 HydrophobicContact CE-CE1 4.28Å; M383-F385 HydrophobicContact CE-CE2 4.16Å; M383-F385 HydrophobicContact CE-CZ 3.58Å; F385-C435 CarbonylContact C-O 3.37Å; F385-C435 WeakPolarHBondContact CA-O 3.03Å; F385-C435 WeakPolarHBondContact CE1-SG 3.49Å; F385-A439 HydrophobicContact CE1-CB 4.45Å; F385-A440 HydrophobicContact CD1-CB 4.37Å; F385-A440 HydrophobicContact CE1-CB 3.6Å; F385-A440 HydrophobicContact CZ-CB 3.93Å; F385-I451 HydrophobicContact CD2-CG2 3.83Å; F385-I451 HydrophobicContact CE2-CG2 3.77Å; F385-V452 PolarHBondContact N-O 3.29Å; F385-Y454 WeakPolarHBondContact O-CB 3.44Å; F385-Y454 PolarHBondContact O-N 2.95Å; F385-D455 PolarHBondContact O-N 3.17Å; F385-R466 HydrophobicContact CD1-CG 4.13Å; F385-R466 HydrophobicContact CD2-CB 4.09Å; F385-R466 HydrophobicContact CD2-CG 3.95Å; F385-R466 HydrophobicContact CE1-CG 4.19Å; F385-R466 HydrophobicContact CE2-CB 3.91Å; F385-R466 HydrophobicContact CE2-CG 3.98Å; F385-R466 HydrophobicContact CG-CG 4.02Å; F385-R466 HydrophobicContact CZ-CB 4.35Å; F385-R466 HydrophobicContact CZ-CG 4.1Å; F385-R469 HydrophobicContact CZ-CG 4.38Å
386F94Very high92.6Very high0 Ų038.8 Ų38.80%017%0.17CC..  trans-126148.3177-59.9-98.1000111L370 V384 S388 V392 H395 L434 C435 T436 Y454L370-F386 HydrophobicContact CD2-CE1 4.34Å; L370-F386 HydrophobicContact CD2-CZ 4.05Å; V384-F386 HydrophobicContact CB-CE2 3.83Å; V384-F386 HydrophobicContact CB-CZ 4.4Å; V384-F386 HydrophobicContact CG1-CD2 4.21Å; V384-F386 HydrophobicContact CG1-CE2 3.44Å; V384-F386 VanDerWaalsContact CG1-CE2 3.44Å; V384-F386 HydrophobicContact CG1-CZ 3.63Å; V384-F386 WeakPolarHBondContact O-CD2 3.46Å; F386-S388 VanDerWaalsContact C-N 3.3Å; F386-S388 PolarHBondContact O-N 3.17Å; F386-V392 HydrophobicContact CB-CG2 3.84Å; F386-V392 HydrophobicContact CD2-CG2 3.83Å; F386-V392 HydrophobicContact CG-CG2 4.1Å; F386-H395 HydrophobicContact CE1-CB 4.17Å; F386-H395 AromaticContact CE1-CD2 3.7Å; F386-H395 AromaticContact CE1-CE1 3.73Å; F386-H395 AromaticContact CE1-CG 3.57Å; F386-H395 AromaticContact CE1-ND1 3.58Å; F386-H395 AromaticContact CE1-NE2 3.8Å; F386-H395 HydrophobicContact CZ-CB 3.91Å; F386-H395 AromaticContact CZ-CG 3.8Å; F386-L434 HydrophobicContact CE2-CB 3.92Å; F386-L434 HydrophobicContact CE2-CD2 3.99Å; F386-L434 HydrophobicContact CE2-CG 4.39Å; F386-L434 HydrophobicContact CZ-CD2 4.36Å; F386-C435 PolarHBondContact N-O 3.09Å; F386-T436 WeakPolarHBondContact O-CA 3.45Å; F386-T436 WeakPolarHBondContact O-CG2 3.42Å; F386-Y454 AromaticContact CD1-CD1 3.51Å; F386-Y454 HydrophobicContact CD1-CD1 3.51Å; F386-Y454 HydrophobicContact CD1-CE1 4.2Å; F386-Y454 HydrophobicContact CD1-CG 4.16Å; F386-Y454 AromaticContact CE1-CD1 3.47Å; F386-Y454 HydrophobicContact CE1-CD1 3.47Å; F386-Y454 VanDerWaalsContact CE1-CD1 3.47Å; F386-Y454 AromaticContact CE1-CE1 4Å; F386-Y454 HydrophobicContact CE1-CE1 4Å; F386-Y454 AromaticContact CE1-CG 3.85Å; F386-Y454 HydrophobicContact CE1-CG 3.85Å
387S89.8Confident92.8Very high38 Ų3835.8 Ų35.827%0.26616%0.158SC..SBendtrans-62.4-29.2177.455.50000114.5D455S387-D455 VanDerWaalsContact CB-OD2 3.28Å; S387-D455 WeakPolarHBondContact CB-OD2 3.19Å; S387-D455 PolarHBondContact N-OD2 3.32Å; S387-D455 PolarHBondContact OG-OD2 3.43Å
388S91.6Very high92.9Very high15 Ų1534.3 Ų34.311%0.10515%0.15CC..  trans-132.8139-168.2168.10000113.8F386 M390 S391 V392 S539F386-S388 VanDerWaalsContact C-N 3.3Å; F386-S388 PolarHBondContact O-N 3.17Å; S388-M390 PolarHBondContact O-N 2.96Å; S388-M390 VanDerWaalsContact O-N 3.16Å; S388-M390 PolarHBondContact OG-N 2.9Å; S388-S391 WeakPolarHBondContact O-CB 3.45Å; S388-S391 PolarHBondContact O-N 3.07Å; S388-S391 VanDerWaalsContact O-N 3.13Å; S388-V392 PolarHBondContact O-N 3.1Å; S388-S539 WeakPolarHBondContact CB-OG 3.22Å; S388-S539 VanDerWaalsContact OG-CB 3.26Å; S388-S539 WeakPolarHBondContact OG-CB 3.35Å; S388-S539 PolarHBondContact OG-OG 3.29Å
389C92.9Very high93.2Very high26 Ų2629.2 Ų29.218%0.17613%0.131CC..Hα-helixtrans-55.6-28.4170.6-72.90000113.6K393 H410 K412C389-K393 PolarHBondContact O-N 3.37Å; C389-H410 HydrophobicContact CB-CB 4.17Å; C389-K412 HydrophobicContact CB-CD 4.28Å; C389-K412 HydrophobicContact CB-CG 4.18Å
390M94.2Very high93.2Very high30 Ų3021 Ų2115%0.14811%0.105CC..Hα-helixtrans-86.7-30.9179.8-39.2-78.346.900111.1S388 K393 F394 K412 A536S388-M390 PolarHBondContact O-N 2.96Å; S388-M390 VanDerWaalsContact O-N 3.16Å; S388-M390 PolarHBondContact OG-N 2.9Å; M390-K393 HydrophobicContact CE-CB 4.28Å; M390-K393 HydrophobicContact CE-CD 3.99Å; M390-K393 PolarHBondContact O-N 3.35Å; M390-F394 WeakPolarHBondContact O-CB 3.35Å; M390-F394 PolarHBondContact O-N 3.12Å; M390-K412 HydrophobicContact CE-CD 3.9Å; M390-K412 HydrophobicContact SD-CD 4.05Å; M390-K412 PolarHBondContact SD-NZ 3.31Å; M390-A536 WeakPolarHBondContact O-CB 3.45Å
391S93.8Very high93.1Very high2 Ų223.6 Ų23.61%0.01411%0.113CC..Hα-helixtrans-59-47166.2-57.20000111.1S388 K393 F394 H395S388-S391 WeakPolarHBondContact O-CB 3.45Å; S388-S391 PolarHBondContact O-N 3.07Å; S388-S391 VanDerWaalsContact O-N 3.13Å; S391-K393 PolarHBondContact O-N 3.02Å; S391-F394 PolarHBondContact O-N 3.12Å; S391-H395 PolarHBondContact O-N 2.81Å; S391-H395 PolarHBondContact O-ND1 3.02Å
392V95.4Very high92.9Very high0 Ų025.3 Ų25.30%012%0.122CC..Hα-helixtrans-58.3-46.5174.8176.30000111.7F386 S388 Y396 A408 H410 L434 T436F386-V392 HydrophobicContact CB-CG2 3.84Å; F386-V392 HydrophobicContact CD2-CG2 3.83Å; F386-V392 HydrophobicContact CG-CG2 4.1Å; S388-V392 PolarHBondContact O-N 3.1Å; V392-Y396 VanDerWaalsContact O-CB 3.24Å; V392-Y396 WeakPolarHBondContact O-CB 3.45Å; V392-Y396 PolarHBondContact O-N 2.91Å; V392-A408 HydrophobicContact CG1-CB 3.84Å; V392-H410 HydrophobicContact CB-CB 4.3Å; V392-H410 HydrophobicContact CG1-CB 4.22Å; V392-L434 HydrophobicContact CG1-CB 4.1Å; V392-L434 WeakPolarHBondContact CG1-O 3.36Å; V392-T436 HydrophobicContact CG2-CG2 3.64Å
393K94.8Very high92.6Very high53 Ų5331.9 Ų31.923%0.2316%0.158CC..Hα-helixtrans-58.2-52177.7178.9-162.6168.5-133.60111.6C389 M390 S391 Y396 E397 S532 E535C389-K393 PolarHBondContact O-N 3.37Å; M390-K393 HydrophobicContact CE-CB 4.28Å; M390-K393 HydrophobicContact CE-CD 3.99Å; M390-K393 PolarHBondContact O-N 3.35Å; S391-K393 PolarHBondContact O-N 3.02Å; K393-Y396 PolarHBondContact O-N 2.95Å; K393-E397 WeakPolarHBondContact CE-OE1 3.29Å; K393-E397 WeakPolarHBondContact CG-OE1 3.48Å; K393-E397 IonicContact NZ-OE2 3.17Å; K393-E397 WeakPolarHBondContact O-CG 3.42Å; K393-E397 PolarHBondContact O-N 2.73Å; K393-S532 WeakPolarHBondContact CE-OG 3.43Å; K393-S532 PolarHBondContact NZ-OG 3.37Å; K393-E535 IonicContact NZ-OE2 2.69Å; K393-E535 PolarHBondContact NZ-OE2 2.95Å
394F95.3Very high92.3Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-62.5-46.5-179.1164.2-116.1000112.2M390 S391 Y396 E397 L398 I523 L529 A533 A536 F567M390-F394 WeakPolarHBondContact O-CB 3.35Å; M390-F394 PolarHBondContact O-N 3.12Å; S391-F394 PolarHBondContact O-N 3.12Å; F394-Y396 VanDerWaalsContact C-N 3.32Å; F394-Y396 PolarHBondContact O-N 3.49Å; F394-E397 PolarHBondContact O-N 3.5Å; F394-L398 HydrophobicContact CE1-CD2 4.12Å; F394-L398 HydrophobicContact CE2-CB 4.24Å; F394-L398 HydrophobicContact CE2-CD2 4.1Å; F394-L398 HydrophobicContact CZ-CD2 3.67Å; F394-L398 WeakPolarHBondContact O-CB 3.41Å; F394-L398 PolarHBondContact O-N 2.9Å; F394-I523 HydrophobicContact CE2-CD1 3.88Å; F394-I523 HydrophobicContact CZ-CD1 3.77Å; F394-L529 HydrophobicContact CD2-CD1 4.13Å; F394-L529 HydrophobicContact CE2-CD1 4.11Å; F394-L529 HydrophobicContact CE2-CG 4.38Å; F394-A533 HydrophobicContact CD2-CB 3.8Å; F394-A533 HydrophobicContact CE2-CB 3.43Å; F394-A533 VanDerWaalsContact CE2-CB 3.43Å; F394-A533 HydrophobicContact CZ-CB 3.84Å; F394-A536 HydrophobicContact CB-CB 3.47Å; F394-A536 VanDerWaalsContact CB-CB 3.47Å; F394-A536 HydrophobicContact CD1-CB 3.98Å; F394-A536 HydrophobicContact CG-CB 3.92Å; F394-F567 AromaticContact CD1-CD1 3.71Å; F394-F567 HydrophobicContact CD1-CD1 3.71Å; F394-F567 AromaticContact CD1-CE1 3.94Å; F394-F567 HydrophobicContact CD1-CE1 3.94Å; F394-F567 HydrophobicContact CE1-CB 4.5Å; F394-F567 AromaticContact CE1-CD1 3.49Å; F394-F567 HydrophobicContact CE1-CD1 3.49Å; F394-F567 VanDerWaalsContact CE1-CD1 3.49Å; F394-F567 HydrophobicContact CE1-CE1 4.11Å; F394-F567 HydrophobicContact CE1-CG 4.32Å; F394-F567 HydrophobicContact CZ-CD1 4.37Å
395H95.5Very high92Very high1 Ų136.9 Ų36.91%0.00519%0.19CC..Hα-helixtrans-66.7-33.8178.4-70.380000111.9F367 F386 S391 L399 L434F367-H395 AromaticContact CD2-CD2 3.76Å; F367-H395 AromaticContact CD2-NE2 3.83Å; F367-H395 AromaticContact CE2-CD2 3.86Å; F386-H395 HydrophobicContact CE1-CB 4.17Å; F386-H395 AromaticContact CE1-CD2 3.7Å; F386-H395 AromaticContact CE1-CE1 3.73Å; F386-H395 AromaticContact CE1-CG 3.57Å; F386-H395 AromaticContact CE1-ND1 3.58Å; F386-H395 AromaticContact CE1-NE2 3.8Å; F386-H395 HydrophobicContact CZ-CB 3.91Å; F386-H395 AromaticContact CZ-CG 3.8Å; S391-H395 PolarHBondContact O-N 2.81Å; S391-H395 PolarHBondContact O-ND1 3.02Å; H395-L399 WeakPolarHBondContact O-CB 3.5Å; H395-L399 WeakPolarHBondContact O-CG 3.09Å; H395-L399 PolarHBondContact O-N 3.43Å; H395-L434 HydrophobicContact CB-CD1 4.01Å
396Y95.2Very high92Very high74 Ų7437.3 Ų37.329%0.2919%0.192SC..Hα-helixtrans-63.1-46.2171.8170.5-87.4000112.1V392 K393 F394 N400 V406 A408V392-Y396 VanDerWaalsContact O-CB 3.24Å; V392-Y396 WeakPolarHBondContact O-CB 3.45Å; V392-Y396 PolarHBondContact O-N 2.91Å; K393-Y396 PolarHBondContact O-N 2.95Å; F394-Y396 VanDerWaalsContact C-N 3.32Å; F394-Y396 PolarHBondContact O-N 3.49Å; Y396-N400 WeakPolarHBondContact CE2-ND2 3.44Å; Y396-N400 WeakPolarHBondContact O-CB 3Å; Y396-N400 PolarHBondContact O-N 3.38Å; Y396-N400 PolarHBondContact O-ND2 3.31Å; Y396-V406 HydrophobicContact CD2-CG2 3.99Å; Y396-V406 WeakPolarHBondContact CD2-O 3.46Å; Y396-V406 WeakPolarHBondContact CE2-O 3.4Å; Y396-V406 HydrophobicContact CG-CG2 4.49Å; Y396-A408 HydrophobicContact CD2-CB 3.37Å; Y396-A408 HydrophobicContact CE2-CB 4.16Å; Y396-A408 HydrophobicContact CG-CB 3.79Å
397E93.4Very high92Very high58 Ų5838.6 Ų38.627%0.27120%0.199SC..Hα-helixtrans-66-49.8178.8-71.9164.4176.200110.5K393 F394 L399 N400 Y401 L529 S532K393-E397 WeakPolarHBondContact CE-OE1 3.29Å; K393-E397 WeakPolarHBondContact CG-OE1 3.48Å; K393-E397 IonicContact NZ-OE2 3.17Å; K393-E397 WeakPolarHBondContact O-CG 3.42Å; K393-E397 PolarHBondContact O-N 2.73Å; F394-E397 PolarHBondContact O-N 3.5Å; E397-L399 PolarHBondContact O-N 3Å; E397-N400 PolarHBondContact O-N 3.22Å; E397-Y401 WeakPolarHBondContact O-CD2 3.15Å; E397-Y401 PolarHBondContact O-N 3.05Å; E397-L529 HydrophobicContact CB-CD1 4.14Å; E397-S532 WeakPolarHBondContact OE2-CB 3.47Å; E397-S532 PolarHBondContact OE2-OG 3.14Å
398L92.8Very high92.2Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-58.8-47.6179.5178.761.9000113.1F367 F394 Y401 I402 L519 L522 L529F367-L398 HydrophobicContact CD2-CD2 4.28Å; F367-L398 HydrophobicContact CE1-CD2 3.95Å; F367-L398 HydrophobicContact CE2-CD2 3.54Å; F367-L398 HydrophobicContact CE2-CG 4.42Å; F367-L398 HydrophobicContact CZ-CD2 3.35Å; F367-L398 HydrophobicContact CZ-CG 3.97Å; F394-L398 HydrophobicContact CE1-CD2 4.12Å; F394-L398 HydrophobicContact CE2-CB 4.24Å; F394-L398 HydrophobicContact CE2-CD2 4.1Å; F394-L398 HydrophobicContact CZ-CD2 3.67Å; F394-L398 WeakPolarHBondContact O-CB 3.41Å; F394-L398 PolarHBondContact O-N 2.9Å; L398-Y401 WeakPolarHBondContact O-CB 3.48Å; L398-Y401 PolarHBondContact O-N 3.37Å; L398-I402 HydrophobicContact CD1-CD1 3.78Å; L398-I402 HydrophobicContact CG-CD1 4Å; L398-I402 WeakPolarHBondContact O-CD1 3.18Å; L398-I402 WeakPolarHBondContact O-CG1 3.48Å; L398-I402 PolarHBondContact O-N 3.45Å; L398-L519 HydrophobicContact CD1-CD1 3.64Å; L398-L519 HydrophobicContact CD2-CD1 3.71Å; L398-L519 HydrophobicContact CG-CD1 4.3Å; L398-L522 HydrophobicContact CD1-CD2 4.03Å; L398-L529 HydrophobicContact CB-CD1 4.13Å; L398-L529 HydrophobicContact CD1-CD2 3.96Å
399L92.3Very high92.1Very high0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-73.1-34.2-175.7-67.9172.7000112.1F367 F371 L374 H395 E397 Y401 I402 L404 V406 L434F367-L399 HydrophobicContact CE2-CD2 4.01Å; F367-L399 HydrophobicContact CZ-CD2 3.84Å; F371-L399 HydrophobicContact CD2-CD2 3.89Å; L374-L399 HydrophobicContact CD1-CD1 3.95Å; H395-L399 WeakPolarHBondContact O-CB 3.5Å; H395-L399 WeakPolarHBondContact O-CG 3.09Å; H395-L399 PolarHBondContact O-N 3.43Å; E397-L399 PolarHBondContact O-N 3Å; L399-Y401 VanDerWaalsContact C-N 3.31Å; L399-Y401 PolarHBondContact O-N 2.83Å; L399-I402 CarbonylContact O-C 3.52Å; L399-I402 PolarHBondContact O-N 3.47Å; L399-I402 VanDerWaalsContact O-N 3.13Å; L399-L404 CarbonylContact C-O 3.59Å; L399-L404 HydrophobicContact CB-CB 4.28Å; L399-L404 HydrophobicContact CB-CD2 4.14Å; L399-L404 HydrophobicContact CD1-CD2 4.11Å; L399-L404 HydrophobicContact CD2-CD2 3.85Å; L399-L404 HydrophobicContact CG-CD2 4.24Å; L399-L404 WeakPolarHBondContact O-CB 3.42Å; L399-L404 PolarHBondContact O-N 3.27Å; L399-V406 HydrophobicContact CB-CG1 4.01Å; L399-V406 HydrophobicContact CB-CG2 3.94Å; L399-V406 HydrophobicContact CD1-CG1 4.13Å; L399-L434 HydrophobicContact CD1-CD1 4.16Å; L399-L434 HydrophobicContact CD1-CD2 4.48Å
400N90Very high92Very high61 Ų6136 Ų3633%0.32618%0.179SC..Hα-helixtrans-67-30.3169.8-76.3-64.8000112.3Y396 E397 I402 D403 V406Y396-N400 WeakPolarHBondContact CE2-ND2 3.44Å; Y396-N400 WeakPolarHBondContact O-CB 3Å; Y396-N400 PolarHBondContact O-N 3.38Å; Y396-N400 PolarHBondContact O-ND2 3.31Å; E397-N400 PolarHBondContact O-N 3.22Å; N400-I402 PolarHBondContact O-N 2.92Å; N400-D403 PolarHBondContact O-N 2.9Å; N400-V406 VanDerWaalsContact ND2-CG2 3.3Å; N400-V406 WeakPolarHBondContact ND2-CG2 3.48Å
401Y87.4Confident91.4Very high126 Ų12636.8 Ų36.849%0.49419%0.194SC..THydrogen-bonded Turntrans-70.2-13170.7-89-63.8000114.4E397 L398 L399 N526 L529E397-Y401 WeakPolarHBondContact O-CD2 3.15Å; E397-Y401 PolarHBondContact O-N 3.05Å; L398-Y401 WeakPolarHBondContact O-CB 3.48Å; L398-Y401 PolarHBondContact O-N 3.37Å; L399-Y401 VanDerWaalsContact C-N 3.31Å; L399-Y401 PolarHBondContact O-N 2.83Å; Y401-N526 WeakPolarHBondContact CE2-ND2 3.46Å; Y401-N526 PolarHBondContact OH-ND2 3.03Å; Y401-N526 VanDerWaalsContact OH-ND2 3.11Å; Y401-L529 HydrophobicContact CD2-CD1 4.18Å; Y401-L529 HydrophobicContact CD2-CD2 4.34Å; Y401-L529 HydrophobicContact CE2-CD1 4.5Å
402I87.1Confident91Very high47 Ų4743.7 Ų43.724%0.24122%0.224CC..THydrogen-bonded Turntrans-114.330.4179.2-48.8159.6000109.8F371 L398 L399 N400 L404 L522F371-I402 HydrophobicContact CE2-CB 4.35Å; F371-I402 HydrophobicContact CE2-CG2 3.69Å; F371-I402 HydrophobicContact CZ-CG2 3.9Å; L398-I402 HydrophobicContact CD1-CD1 3.78Å; L398-I402 HydrophobicContact CG-CD1 4Å; L398-I402 WeakPolarHBondContact O-CD1 3.18Å; L398-I402 WeakPolarHBondContact O-CG1 3.48Å; L398-I402 PolarHBondContact O-N 3.45Å; L399-I402 CarbonylContact O-C 3.52Å; L399-I402 PolarHBondContact O-N 3.47Å; L399-I402 VanDerWaalsContact O-N 3.13Å; N400-I402 PolarHBondContact O-N 2.92Å; I402-L404 PolarHBondContact O-N 3Å; I402-L522 HydrophobicContact CG1-CD2 4.23Å
403D86.3Confident90.6Very high139 Ų13945 Ų4574%0.74323%0.23SC*.THydrogen-bonded Turntrans46.141.1179-61.1-49000113.7R378 N400R378-D403 PolarHBondContact NH2-O 2.91Å; R378-D403 VanDerWaalsContact NH2-O 3.15Å; N400-D403 PolarHBondContact O-N 2.9Å
404L87.6Confident90.1Very high1 Ų151 Ų511%0.00526%0.256CS..  trans-109.7104.5167.4-174.176.5000108.1L374 R378 L399 I402 V406 I432L374-L404 HydrophobicContact CB-CD2 3.89Å; L374-L404 HydrophobicContact CD1-CD2 4.01Å; R378-L404 HydrophobicContact CG-CD1 3.78Å; L399-L404 CarbonylContact C-O 3.59Å; L399-L404 HydrophobicContact CB-CB 4.28Å; L399-L404 HydrophobicContact CB-CD2 4.14Å; L399-L404 HydrophobicContact CD1-CD2 4.11Å; L399-L404 HydrophobicContact CD2-CD2 3.85Å; L399-L404 HydrophobicContact CG-CD2 4.24Å; L399-L404 WeakPolarHBondContact O-CB 3.42Å; L399-L404 PolarHBondContact O-N 3.27Å; I402-L404 PolarHBondContact O-N 3Å; L404-V406 HydrophobicContact CD2-CG1 3.97Å; L404-V406 HydrophobicContact CG-CG1 4.06Å; L404-V406 PolarHBondContact O-N 3.33Å; L404-V406 VanDerWaalsContact O-N 3.1Å; L404-I432 HydrophobicContact CD1-CD1 3.96Å; L404-I432 HydrophobicContact CD2-CD1 4.03Å; L404-I432 HydrophobicContact CG-CD1 4.06Å
405P87.8Confident89.3Confident103 Ų10352.7 Ų52.767%0.66926%0.264SS*.  trans-65.9114.5-179.626.2-33.3000110
406V93.9Very high88.7Confident9 Ų957.8 Ų57.86%0.05530%0.296CS..EExtended strand (participates in β ladder)trans-128.1139.3179.9-63.70000111.1Y396 L399 N400 L404 I432 L434Y396-V406 HydrophobicContact CD2-CG2 3.99Å; Y396-V406 WeakPolarHBondContact CD2-O 3.46Å; Y396-V406 WeakPolarHBondContact CE2-O 3.4Å; Y396-V406 HydrophobicContact CG-CG2 4.49Å; L399-V406 HydrophobicContact CB-CG1 4.01Å; L399-V406 HydrophobicContact CB-CG2 3.94Å; L399-V406 HydrophobicContact CD1-CG1 4.13Å; N400-V406 VanDerWaalsContact ND2-CG2 3.3Å; N400-V406 WeakPolarHBondContact ND2-CG2 3.48Å; L404-V406 HydrophobicContact CD2-CG1 3.97Å; L404-V406 HydrophobicContact CG-CG1 4.06Å; L404-V406 PolarHBondContact O-N 3.33Å; L404-V406 VanDerWaalsContact O-N 3.1Å; V406-I432 HydrophobicContact CG1-CB 4.03Å; V406-I432 HydrophobicContact CG1-CD1 4.38Å; V406-I432 HydrophobicContact CG1-CG2 3.87Å; V406-L434 HydrophobicContact CB-CD1 4.13Å; V406-L434 HydrophobicContact CB-CG 4.21Å; V406-L434 HydrophobicContact CG1-CD1 4.5Å; V406-L434 HydrophobicContact CG2-CD1 3.98Å
407M94Very high88.3Confident28 Ų2859 Ų5914%0.13830%0.303CS..EExtended strand (participates in β ladder)trans-94.3157.2168.5-77174.3-83.800109.8T421 Q424 F425 I432 L433 L434M407-T421 HydrophobicContact CB-CG2 3.76Å; M407-T421 HydrophobicContact CG-CG2 4.06Å; M407-T421 HydrophobicContact SD-CG2 4.43Å; M407-Q424 HydrophobicContact SD-CB 4.19Å; M407-Q424 HydrophobicContact SD-CG 3.79Å; M407-F425 HydrophobicContact CE-CB 4.2Å; M407-F425 HydrophobicContact CE-CD2 3.7Å; M407-F425 HydrophobicContact CE-CG 4.42Å; M407-F425 HydrophobicContact SD-CB 4.01Å; M407-I432 PolarHBondContact N-O 2.82Å; M407-L433 HydrophobicContact CB-CD1 4.15Å; M407-L434 PolarHBondContact O-N 2.69Å
408A94.1Very high87.9Confident4 Ų457.3 Ų57.33%0.03329%0.293CS..EExtended strand (participates in β ladder)trans-145.8134.6178.700000113.9V392 Y396 Q413 L434V392-A408 HydrophobicContact CG1-CB 3.84Å; Y396-A408 HydrophobicContact CD2-CB 3.37Å; Y396-A408 HydrophobicContact CE2-CB 4.16Å; Y396-A408 HydrophobicContact CG-CB 3.79Å; A408-Q413 PolarHBondContact O-NE2 2.96Å; A408-Q413 PolarHBondContact O-OE1 3.23Å; A408-L434 CarbonylContact C-O 3.57Å; A408-L434 WeakPolarHBondContact CA-O 3.43Å; A408-L434 HydrophobicContact CB-CB 4.37Å
409I90.8Very high87.4Confident3 Ų358.4 Ų58.42%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-130.3121.1176.4-65.9172.8000109.5R418 T421 F422 L433 L434 C435I409-R418 HydrophobicContact CG2-CG 4.35Å; I409-T421 HydrophobicContact CD1-CG2 4.27Å; I409-T421 HydrophobicContact CG1-CG2 3.9Å; I409-F422 HydrophobicContact CD1-CB 3.95Å; I409-L433 HydrophobicContact CB-CD1 4.17Å; I409-L433 HydrophobicContact CD1-CD1 3.92Å; I409-L433 HydrophobicContact CD1-CD2 4.14Å; I409-L433 HydrophobicContact CG1-CD1 3.82Å; I409-L434 PolarHBondContact N-O 3.06Å; I409-C435 VanDerWaalsContact O-CA 3.27Å; I409-C435 WeakPolarHBondContact O-CA 3.31Å
410H89.8Confident87.2Confident18 Ų1862.4 Ų62.48%0.08333%0.325CS..  trans-150.2156.5176.260.990.4000111.3C389 V392 K412 Q413 T436C389-H410 HydrophobicContact CB-CB 4.17Å; V392-H410 HydrophobicContact CB-CB 4.3Å; V392-H410 HydrophobicContact CG1-CB 4.22Å; H410-K412 VanDerWaalsContact C-N 3.25Å; H410-K412 PolarHBondContact O-N 3.16Å; H410-K412 VanDerWaalsContact O-N 3.1Å; H410-Q413 PolarHBondContact CD2-NE2 2.91Å; H410-Q413 WeakPolarHBondContact NE2-CG 3.33Å; H410-Q413 PolarHBondContact NE2-NE2 2.88Å; H410-Q413 VanDerWaalsContact NE2-NE2 3.17Å; H410-Q413 WeakPolarHBondContact O-CB 3.28Å; H410-Q413 WeakPolarHBondContact O-CG 3.47Å; H410-Q413 PolarHBondContact O-N 3.12Å; H410-T436 HydrophobicContact CB-CG2 4.29Å
411G82.7Confident87.2Confident45 Ų4560.1 Ų60.146%0.46431%0.313SS..THydrogen-bonded Turntrans-58.8-28-169.400000115.7Q413G411-Q413 PolarHBondContact O-N 2.95Å
412K85.3Confident87.1Confident147 Ų14754.8 Ų54.864%0.63929%0.293SS*.THydrogen-bonded Turntrans-73.7-1.7176-65.5-171.1178-175.20115.1C389 M390 H410C389-K412 HydrophobicContact CB-CD 4.28Å; C389-K412 HydrophobicContact CB-CG 4.18Å; M390-K412 HydrophobicContact CE-CD 3.9Å; M390-K412 HydrophobicContact SD-CD 4.05Å; M390-K412 PolarHBondContact SD-NZ 3.31Å; H410-K412 VanDerWaalsContact C-N 3.25Å; H410-K412 PolarHBondContact O-N 3.16Å; H410-K412 VanDerWaalsContact O-N 3.1Å
413Q86.5Confident87Confident28 Ų2856.9 Ų56.913%0.13130%0.3CS..SBendtrans-84.4146.6178.1-65.4-175.7-6.600112.6A408 H410 G411 R418A408-Q413 PolarHBondContact O-NE2 2.96Å; A408-Q413 PolarHBondContact O-OE1 3.23Å; H410-Q413 PolarHBondContact CD2-NE2 2.91Å; H410-Q413 WeakPolarHBondContact NE2-CG 3.33Å; H410-Q413 PolarHBondContact NE2-NE2 2.88Å; H410-Q413 VanDerWaalsContact NE2-NE2 3.17Å; H410-Q413 WeakPolarHBondContact O-CB 3.28Å; H410-Q413 WeakPolarHBondContact O-CG 3.47Å; H410-Q413 PolarHBondContact O-N 3.12Å; G411-Q413 PolarHBondContact O-N 2.95Å; Q413-R418 HydrophobicContact CB-CG 3.63Å
414K85.4Confident87.1Confident180 Ų18055.5 Ų55.578%0.78329%0.289SS*.  trans-58.2138.3169.7-66.6-171.4179.5-175.50110.4T416 K417 R418K414-T416 VanDerWaalsContact C-N 3.31Å; K414-T416 PolarHBondContact O-N 3.23Å; K414-K417 PolarHBondContact O-N 2.8Å; K414-R418 PolarHBondContact O-N 3.02Å
415Q77.3Confident87.2Confident34 Ų3455.4 Ų55.416%0.15929%0.289CS..Hα-helixtrans-48.9-48.9-174.7-173.660.145.300113.1E216 K417 R418 T419E216-Q415 PolarHBondContact OE1-NE2 3.32Å; Q415-K417 VanDerWaalsContact C-N 3.27Å; Q415-K417 PolarHBondContact O-N 3.36Å; Q415-R418 WeakPolarHBondContact O-CB 3.22Å; Q415-R418 PolarHBondContact O-N 3.11Å; Q415-R418 VanDerWaalsContact O-N 3.1Å; Q415-R418 VanDerWaalsContact OE1-NH1 3.16Å; Q415-T419 PolarHBondContact NE2-OG1 2.92Å; Q415-T419 PolarHBondContact O-N 3.32Å; Q415-T419 PolarHBondContact O-OG1 3.11Å
416T83.1Confident87.1Confident109 Ų10951.4 Ų51.467%0.66926%0.263SS*.Hα-helixtrans-55.3-40.9179.6-390000112.3K414 T420K414-T416 VanDerWaalsContact C-N 3.31Å; K414-T416 PolarHBondContact O-N 3.23Å; T416-T420 WeakPolarHBondContact O-CB 3.28Å; T416-T420 PolarHBondContact O-N 3.21Å; T416-T420 PolarHBondContact O-OG1 3.41Å
417K87.6Confident86.7Confident100 Ų10057.4 Ų57.444%0.43529%0.294SS..Hα-helixtrans-67.9-45177.1-175173179.3177.50111.3K414 Q415 T419 T420 T421K414-K417 PolarHBondContact O-N 2.8Å; Q415-K417 VanDerWaalsContact C-N 3.27Å; Q415-K417 PolarHBondContact O-N 3.36Å; K417-T419 VanDerWaalsContact C-N 3.33Å; K417-T419 PolarHBondContact O-N 3.25Å; K417-T420 PolarHBondContact O-N 2.81Å; K417-T421 WeakPolarHBondContact O-CB 3.21Å; K417-T421 PolarHBondContact O-N 3.06Å; K417-T421 PolarHBondContact O-OG1 3.26Å
418R85Confident86.4Confident21 Ų2157.1 Ų57.18%0.07930%0.297CS..Hα-helixtrans-55.6-49.5176.2-66.6178.359.3-119.8-7.9110.8E216 I409 Q413 K414 Q415 F422E216-R418 IonicContact OE1-CZ 2.78Å; E216-R418 VanDerWaalsContact OE1-CZ 3.26Å; E216-R418 IonicContact OE1-NH1 3.66Å; E216-R418 PolarHBondContact OE1-NH1 3.11Å; E216-R418 IonicContact OE1-NH2 2.69Å; E216-R418 PolarHBondContact OE1-NH2 3.08Å; E216-R418 IonicContact OE2-CZ 3.74Å; E216-R418 IonicContact OE2-NH1 4Å; E216-R418 PolarHBondContact OE2-NH1 3.45Å; E216-R418 IonicContact OE2-NH2 3.67Å; E216-R418 PolarHBondContact OE2-NH2 3.44Å; I409-R418 HydrophobicContact CG2-CG 4.35Å; Q413-R418 HydrophobicContact CB-CG 3.63Å; K414-R418 PolarHBondContact O-N 3.02Å; Q415-R418 WeakPolarHBondContact O-CB 3.22Å; Q415-R418 PolarHBondContact O-N 3.11Å; Q415-R418 VanDerWaalsContact O-N 3.1Å; Q415-R418 VanDerWaalsContact OE1-NH1 3.16Å; R418-F422 WeakPolarHBondContact O-CB 3.41Å; R418-F422 PolarHBondContact O-N 2.88Å
419T81.6Confident86Confident24 Ų2464.5 Ų64.515%0.14734%0.336CS..Hα-helixtrans-63.1-44.7178.4-61.80000112.7M219 Q415 K417 F422 F423M219-T419 HydrophobicContact CE-CG2 3.63Å; M219-T419 HydrophobicContact SD-CG2 3.93Å; Q415-T419 PolarHBondContact NE2-OG1 2.92Å; Q415-T419 PolarHBondContact O-N 3.32Å; Q415-T419 PolarHBondContact O-OG1 3.11Å; K417-T419 VanDerWaalsContact C-N 3.33Å; K417-T419 PolarHBondContact O-N 3.25Å; T419-F422 PolarHBondContact O-N 3.1Å; T419-F423 HydrophobicContact CG2-CD2 3.87Å; T419-F423 HydrophobicContact CG2-CE2 3.62Å; T419-F423 VanDerWaalsContact O-CD2 3.25Å; T419-F423 WeakPolarHBondContact O-CD2 3.43Å; T419-F423 PolarHBondContact O-N 2.85Å; T419-F423 VanDerWaalsContact O-N 3.12Å
420T88.4Confident86Confident84 Ų8467 Ų6752%0.51535%0.353SS..Hα-helixtrans-64.9-46.8177.2-60.80000111.9T416 K417 F422 F423 Q424T416-T420 WeakPolarHBondContact O-CB 3.28Å; T416-T420 PolarHBondContact O-N 3.21Å; T416-T420 PolarHBondContact O-OG1 3.41Å; K417-T420 PolarHBondContact O-N 2.81Å; T420-F422 VanDerWaalsContact C-N 3.31Å; T420-F422 PolarHBondContact O-N 2.97Å; T420-F423 PolarHBondContact O-N 3.16Å; T420-Q424 VanDerWaalsContact O-CB 3.27Å; T420-Q424 WeakPolarHBondContact O-CB 3.42Å; T420-Q424 PolarHBondContact O-N 3.48Å
421T89.7Confident86.1Confident12 Ų1266.8 Ų66.87%0.07436%0.356CS..Hα-helixtrans-66.8-32.1178.5-61.30000112.1M407 I409 K417 F425M407-T421 HydrophobicContact CB-CG2 3.76Å; M407-T421 HydrophobicContact CG-CG2 4.06Å; M407-T421 HydrophobicContact SD-CG2 4.43Å; I409-T421 HydrophobicContact CD1-CG2 4.27Å; I409-T421 HydrophobicContact CG1-CG2 3.9Å; K417-T421 WeakPolarHBondContact O-CB 3.21Å; K417-T421 PolarHBondContact O-N 3.06Å; K417-T421 PolarHBondContact O-OG1 3.26Å; T421-F425 PolarHBondContact O-N 3.35Å
422F85.4Confident86.6Confident15 Ų1564.9 Ų64.97%0.06634%0.335CS..Hα-helixtrans-62.4-57.3173173.4-107000111.6I409 R418 T419 T420 Q424 F425 C426 L443 D444 I445I409-F422 HydrophobicContact CD1-CB 3.95Å; R418-F422 WeakPolarHBondContact O-CB 3.41Å; R418-F422 PolarHBondContact O-N 2.88Å; T419-F422 PolarHBondContact O-N 3.1Å; T420-F422 VanDerWaalsContact C-N 3.31Å; T420-F422 PolarHBondContact O-N 2.97Å; F422-Q424 VanDerWaalsContact C-N 3.26Å; F422-Q424 PolarHBondContact O-N 2.82Å; F422-F425 PolarHBondContact O-N 2.82Å; F422-C426 VanDerWaalsContact CE2-SG 3.58Å; F422-C426 PolarHBondContact O-N 3.11Å; F422-C426 PolarHBondContact O-SG 3.43Å; F422-C426 VanDerWaalsContact O-SG 3.37Å; F422-L443 HydrophobicContact CD2-CD1 3.93Å; F422-L443 HydrophobicContact CD2-CD2 4.3Å; F422-L443 HydrophobicContact CE2-CB 4.03Å; F422-L443 HydrophobicContact CE2-CD1 3.86Å; F422-L443 HydrophobicContact CE2-CD2 3.87Å; F422-L443 HydrophobicContact CE2-CG 4.15Å; F422-L443 HydrophobicContact CZ-CD2 4.25Å; F422-D444 VanDerWaalsContact CZ-O 3.27Å; F422-D444 WeakPolarHBondContact CZ-O 3.37Å; F422-I445 HydrophobicContact CD2-CG1 4.47Å; F422-I445 HydrophobicContact CE2-CD1 4.38Å; F422-I445 HydrophobicContact CE2-CG1 3.75Å
423F84.5Confident87.1Confident90 Ų9057.9 Ų57.940%0.39531%0.305SS..Hα-helixtrans-62.8-33.1177.7-70.9-58.2000112.7M219 T419 T420 F425 C426 N427M219-F423 HydrophobicContact CE-CE2 3.78Å; M219-F423 HydrophobicContact CE-CZ 4.04Å; T419-F423 HydrophobicContact CG2-CD2 3.87Å; T419-F423 HydrophobicContact CG2-CE2 3.62Å; T419-F423 VanDerWaalsContact O-CD2 3.25Å; T419-F423 WeakPolarHBondContact O-CD2 3.43Å; T419-F423 PolarHBondContact O-N 2.85Å; T419-F423 VanDerWaalsContact O-N 3.12Å; T420-F423 PolarHBondContact O-N 3.16Å; F423-F425 VanDerWaalsContact C-N 3.32Å; F423-F425 PolarHBondContact O-N 3.4Å; F423-C426 PolarHBondContact O-N 2.74Å; F423-N427 VanDerWaalsContact O-CB 3.25Å; F423-N427 WeakPolarHBondContact O-CB 3.46Å; F423-N427 PolarHBondContact O-N 3.35Å; F423-N427 PolarHBondContact O-OD1 2.82Å
424Q89.4Confident87.5Confident110 Ų11056.6 Ų56.651%0.51430%0.299SS..Hα-helixtrans-61.9-37.8172.8-174.6-177.9-3.300112.3M407 T420 F422 A428M407-Q424 HydrophobicContact SD-CB 4.19Å; M407-Q424 HydrophobicContact SD-CG 3.79Å; T420-Q424 VanDerWaalsContact O-CB 3.27Å; T420-Q424 WeakPolarHBondContact O-CB 3.42Å; T420-Q424 PolarHBondContact O-N 3.48Å; F422-Q424 VanDerWaalsContact C-N 3.26Å; F422-Q424 PolarHBondContact O-N 2.82Å; Q424-A428 VanDerWaalsContact O-CB 3.3Å; Q424-A428 WeakPolarHBondContact O-CB 3.48Å; Q424-A428 PolarHBondContact O-N 3.3Å
425F89.9Confident87.8Confident0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-78-39177-176.3-122.5000112.6K381 L382 M383 M407 T421 F422 F423 A428 L433 I445 V448K381-F425 WeakPolarHBondContact CE-O 3.43Å; K381-F425 HydrophobicContact CG-CE2 3.74Å; K381-F425 HydrophobicContact CG-CZ 3.71Å; K381-F425 PolarHBondContact NZ-O 3.1Å; L382-F425 WeakPolarHBondContact O-CZ 3.21Å; M383-F425 HydrophobicContact CG-CE1 3.7Å; M383-F425 HydrophobicContact CG-CZ 3.96Å; M383-F425 HydrophobicContact SD-CE1 4.28Å; M407-F425 HydrophobicContact CE-CB 4.2Å; M407-F425 HydrophobicContact CE-CD2 3.7Å; M407-F425 HydrophobicContact CE-CG 4.42Å; M407-F425 HydrophobicContact SD-CB 4.01Å; T421-F425 PolarHBondContact O-N 3.35Å; F422-F425 PolarHBondContact O-N 2.82Å; F423-F425 VanDerWaalsContact C-N 3.32Å; F423-F425 PolarHBondContact O-N 3.4Å; F425-A428 PolarHBondContact O-N 3.04Å; F425-L433 HydrophobicContact CD1-CB 3.84Å; F425-L433 HydrophobicContact CD1-CD2 3.41Å; F425-L433 VanDerWaalsContact CD1-CD2 3.41Å; F425-L433 HydrophobicContact CD1-CG 4.23Å; F425-L433 HydrophobicContact CD2-CB 4.01Å; F425-L433 HydrophobicContact CE1-CB 3.67Å; F425-L433 HydrophobicContact CE1-CD2 3.67Å; F425-L433 HydrophobicContact CE1-CG 4.31Å; F425-L433 HydrophobicContact CE2-CB 3.87Å; F425-L433 HydrophobicContact CG-CB 3.99Å; F425-L433 HydrophobicContact CG-CD2 4.09Å; F425-L433 HydrophobicContact CZ-CB 3.7Å; F425-I445 HydrophobicContact CD1-CD1 4.47Å; F425-I445 HydrophobicContact CD1-CG2 3.81Å; F425-I445 HydrophobicContact CE1-CD1 4.46Å; F425-I445 HydrophobicContact CE1-CG2 3.59Å; F425-V448 HydrophobicContact CE1-CG2 4.36Å
426C84.3Confident88.5Confident18 Ų1846.9 Ų46.912%0.12226%0.257CS..Hα-helixtrans-61.3-46.8175.9-63.80000110.9K381 F422 F423 A428 P446K381-C426 PolarHBondContact NZ-O 2.97Å; F422-C426 VanDerWaalsContact CE2-SG 3.58Å; F422-C426 PolarHBondContact O-N 3.11Å; F422-C426 PolarHBondContact O-SG 3.43Å; F422-C426 VanDerWaalsContact O-SG 3.37Å; F423-C426 PolarHBondContact O-N 2.74Å; C426-A428 PolarHBondContact O-N 3.48Å; C426-P446 HydrophobicContact CB-CG 4.23Å; C426-P446 WeakPolarHBondContact O-CG 3.33Å
427N85.8Confident88.4Confident135 Ų13542.7 Ų42.772%0.72223%0.231SC*.THydrogen-bonded Turntrans-78.86.5-179.1-59.79.2000114.4F423F423-N427 VanDerWaalsContact O-CB 3.25Å; F423-N427 WeakPolarHBondContact O-CB 3.46Å; F423-N427 PolarHBondContact O-N 3.35Å; F423-N427 PolarHBondContact O-OD1 2.82Å
428A87.9Confident87.9Confident23 Ų2340.2 Ų40.219%0.1922%0.224CC..  trans-105.4131.2177.400000111K381 Q424 F425 C426 S430K381-A428 VanDerWaalsContact CE-O 3.27Å; K381-A428 WeakPolarHBondContact CE-O 3.18Å; K381-A428 PolarHBondContact NZ-O 3.36Å; Q424-A428 VanDerWaalsContact O-CB 3.3Å; Q424-A428 WeakPolarHBondContact O-CB 3.48Å; Q424-A428 PolarHBondContact O-N 3.3Å; F425-A428 PolarHBondContact O-N 3.04Å; C426-A428 PolarHBondContact O-N 3.48Å; A428-S430 PolarHBondContact O-N 3Å
429D86.2Confident87.3Confident158 Ų15839.2 Ų39.285%0.84522%0.22SC*.SBendtrans-68-27.6178.4-42.3-55.2000111.9
430S90.3Very high86.4Confident56 Ų5638 Ų3839%0.39221%0.213SC..SBendtrans-147.2157.5177.460.50000111.5R379 A428R379-S430 VanDerWaalsContact O-CB 3.22Å; R379-S430 WeakPolarHBondContact O-CB 3.27Å; A428-S430 PolarHBondContact O-N 3Å
431G91.8Very high85.4Confident14 Ų1434.6 Ų34.614%0.14419%0.19CC..EExtended strand (participates in β ladder)trans150.1170-179.200000113K380 K381 L382K380-G431 PolarHBondContact O-N 2.8Å; K381-G431 WeakPolarHBondContact CA-O 3.45Å; L382-G431 PolarHBondContact N-O 2.83Å
432I94.3Very high83.7Confident5 Ų534.3 Ų34.33%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-120121.2-177.2-62.3159.3000108.9L374 L382 V384 L404 V406 M407 L434L374-I432 HydrophobicContact CB-CD1 4.04Å; L374-I432 HydrophobicContact CD1-CG2 4.27Å; L374-I432 HydrophobicContact CD2-CD1 4.04Å; L374-I432 HydrophobicContact CD2-CG1 4.15Å; L374-I432 HydrophobicContact CD2-CG2 3.93Å; L374-I432 HydrophobicContact CG-CD1 4.44Å; L382-I432 HydrophobicContact CB-CG1 4.34Å; L382-I432 HydrophobicContact CD1-CG1 3.91Å; L382-I432 WeakPolarHBondContact O-CA 3.47Å; V384-I432 HydrophobicContact CG2-CG2 4.17Å; L404-I432 HydrophobicContact CD1-CD1 3.96Å; L404-I432 HydrophobicContact CD2-CD1 4.03Å; L404-I432 HydrophobicContact CG-CD1 4.06Å; V406-I432 HydrophobicContact CG1-CB 4.03Å; V406-I432 HydrophobicContact CG1-CD1 4.38Å; V406-I432 HydrophobicContact CG1-CG2 3.87Å; M407-I432 PolarHBondContact N-O 2.82Å; I432-L434 HydrophobicContact CG2-CD2 3.78Å
433L93.8Very high82.8Confident0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-106.4117.1173.4173.359.6000110.7L382 M383 V384 M407 I409 F425 C435 I445L382-L433 PolarHBondContact O-N 3.26Å; M383-L433 CarbonylContact C-O 3.53Å; M383-L433 WeakPolarHBondContact CA-O 3.49Å; M383-L433 HydrophobicContact CE-CD2 4.16Å; M383-L433 HydrophobicContact CG-CB 4.39Å; M383-L433 HydrophobicContact CG-CD2 4.43Å; V384-L433 PolarHBondContact N-O 2.84Å; M407-L433 HydrophobicContact CB-CD1 4.15Å; I409-L433 HydrophobicContact CB-CD1 4.17Å; I409-L433 HydrophobicContact CD1-CD1 3.92Å; I409-L433 HydrophobicContact CD1-CD2 4.14Å; I409-L433 HydrophobicContact CG1-CD1 3.82Å; F425-L433 HydrophobicContact CD1-CB 3.84Å; F425-L433 HydrophobicContact CD1-CD2 3.41Å; F425-L433 VanDerWaalsContact CD1-CD2 3.41Å; F425-L433 HydrophobicContact CD1-CG 4.23Å; F425-L433 HydrophobicContact CD2-CB 4.01Å; F425-L433 HydrophobicContact CE1-CB 3.67Å; F425-L433 HydrophobicContact CE1-CD2 3.67Å; F425-L433 HydrophobicContact CE1-CG 4.31Å; F425-L433 HydrophobicContact CE2-CB 3.87Å; F425-L433 HydrophobicContact CG-CB 3.99Å; F425-L433 HydrophobicContact CG-CD2 4.09Å; F425-L433 HydrophobicContact CZ-CB 3.7Å; L433-C435 HydrophobicContact CG-CB 4.46Å; L433-I445 HydrophobicContact CD2-CD1 4.44Å
434L95.2Very high81.7Confident0 Ų032.6 Ų32.60%019%0.185CC..EExtended strand (participates in β ladder)trans-90.4125.9172.2-47.7-178.1000109.7V384 F386 V392 H395 L399 V406 M407 A408 I409 I432V384-L434 HydrophobicContact CB-CD2 3.8Å; V384-L434 HydrophobicContact CG1-CD2 4.49Å; V384-L434 HydrophobicContact CG2-CD2 3.81Å; F386-L434 HydrophobicContact CE2-CB 3.92Å; F386-L434 HydrophobicContact CE2-CD2 3.99Å; F386-L434 HydrophobicContact CE2-CG 4.39Å; F386-L434 HydrophobicContact CZ-CD2 4.36Å; V392-L434 HydrophobicContact CG1-CB 4.1Å; V392-L434 WeakPolarHBondContact CG1-O 3.36Å; H395-L434 HydrophobicContact CB-CD1 4.01Å; L399-L434 HydrophobicContact CD1-CD1 4.16Å; L399-L434 HydrophobicContact CD1-CD2 4.48Å; V406-L434 HydrophobicContact CB-CD1 4.13Å; V406-L434 HydrophobicContact CB-CG 4.21Å; V406-L434 HydrophobicContact CG1-CD1 4.5Å; V406-L434 HydrophobicContact CG2-CD1 3.98Å; M407-L434 PolarHBondContact O-N 2.69Å; A408-L434 CarbonylContact C-O 3.57Å; A408-L434 WeakPolarHBondContact CA-O 3.43Å; A408-L434 HydrophobicContact CB-CB 4.37Å; I409-L434 PolarHBondContact N-O 3.06Å; I432-L434 HydrophobicContact CG2-CD2 3.78Å
435C93Very high80.8Confident0 Ų027.3 Ų27.30%016%0.161CC..EExtended strand (participates in β ladder)trans-148.8163.3-173.752.90000115V384 F385 F386 I409 L433 A439V384-C435 PolarHBondContact O-N 2.71Å; F385-C435 CarbonylContact C-O 3.37Å; F385-C435 WeakPolarHBondContact CA-O 3.03Å; F385-C435 WeakPolarHBondContact CE1-SG 3.49Å; F386-C435 PolarHBondContact N-O 3.09Å; I409-C435 VanDerWaalsContact O-CA 3.27Å; I409-C435 WeakPolarHBondContact O-CA 3.31Å; L433-C435 HydrophobicContact CG-CB 4.46Å; C435-A439 HydrophobicContact CB-CB 3.67Å
436T90.8Very high79.7Confident10 Ų1030.2 Ų30.26%0.06118%0.18CC..  trans-101.4179.1161.270.40000109.6F386 V392 H410 V438 A439F386-T436 WeakPolarHBondContact O-CA 3.45Å; F386-T436 WeakPolarHBondContact O-CG2 3.42Å; V392-T436 HydrophobicContact CG2-CG2 3.64Å; H410-T436 HydrophobicContact CB-CG2 4.29Å; T436-V438 PolarHBondContact O-N 2.78Å; T436-A439 PolarHBondContact O-N 2.69Å
437D82.1Confident79Confident22 Ų2235.7 Ų35.712%0.11820%0.203CC..G310 helixtrans-58.7-8.4-179.3-60.2-77000115.8A439 A440 E462 R466D437-A439 PolarHBondContact O-N 3.41Å; D437-A439 VanDerWaalsContact O-N 3.14Å; D437-A440 HydrophobicContact CB-CB 4.2Å; D437-A440 PolarHBondContact O-N 2.92Å; D437-E462 VanDerWaalsContact CG-CD 3.44Å; D437-E462 VanDerWaalsContact OD1-CD 3.26Å; D437-E462 VanDerWaalsContact OD1-CG 3.31Å; D437-E462 WeakPolarHBondContact OD1-CG 3.49Å; D437-R466 IonicContact OD1-CZ 3.72Å; D437-R466 VanDerWaalsContact OD1-CZ 3.29Å; D437-R466 IonicContact OD1-NE 2.75Å; D437-R466 PolarHBondContact OD1-NE 2.61Å; D437-R466 IonicContact OD1-NH2 2.68Å; D437-R466 PolarHBondContact OD1-NH2 3.04Å; D437-R466 IonicContact OD2-CZ 3.11Å; D437-R466 IonicContact OD2-NE 2.69Å; D437-R466 IonicContact OD2-NH2 2.82Å; D437-R466 PolarHBondContact OD2-NH2 3.49Å
438V75.9Confident79.1Confident47 Ų4729.3 Ų29.329%0.28517%0.169SC..G310 helixtrans-54.8-19.3161.6172.80000112.8T436T436-V438 PolarHBondContact O-N 2.78Å
439A73.4Confident79.2Confident0 Ų030.3 Ų30.30%017%0.171CC..G310 helixtrans-112.8-1.7173.800000114.4M383 F385 C435 T436 D437 L443M383-A439 HydrophobicContact CE-CB 4.13Å; F385-A439 HydrophobicContact CE1-CB 4.45Å; C435-A439 HydrophobicContact CB-CB 3.67Å; T436-A439 PolarHBondContact O-N 2.69Å; D437-A439 PolarHBondContact O-N 3.41Å; D437-A439 VanDerWaalsContact O-N 3.14Å; A439-L443 VanDerWaalsContact CA-CD1 3.5Å; A439-L443 HydrophobicContact CB-CD1 3.66Å
440A62.9Low79.4Confident0 Ų024.6 Ų24.60%014%0.138CC..THydrogen-bonded Turntrans-83.6-24.7-175.800000113.9F385 D437 H465 R466 R469F385-A440 HydrophobicContact CD1-CB 4.37Å; F385-A440 HydrophobicContact CE1-CB 3.6Å; F385-A440 HydrophobicContact CZ-CB 3.93Å; D437-A440 HydrophobicContact CB-CB 4.2Å; D437-A440 PolarHBondContact O-N 2.92Å; A440-H465 CarbonylContact O-C 3.47Å; A440-R466 HydrophobicContact CB-CB 4.49Å; A440-R466 HydrophobicContact CB-CG 3.6Å; A440-R469 PolarHBondContact O-NE 3.46Å; A440-R469 PolarHBondContact O-NH2 3.47Å; A440-R469 VanDerWaalsContact O-NH2 3.13Å
441R66.9Low79.5Confident11 Ų1121.9 Ų21.94%0.04212%0.119CC..SBendtrans-124.3144.2-175.9-68.1178.9-178.888.9-22.7110.3R291 E294 L443 E462 H465R291-R441 HydrophobicContact CG-CB 4.41Å; E294-R441 VanDerWaalsContact CD-NH2 3.32Å; E294-R441 IonicContact OE1-CZ 2.65Å; E294-R441 IonicContact OE1-NE 2.9Å; E294-R441 IonicContact OE1-NH2 2.63Å; E294-R441 PolarHBondContact OE1-NH2 3.17Å; E294-R441 IonicContact OE2-CZ 2.66Å; E294-R441 IonicContact OE2-NE 2.7Å; E294-R441 PolarHBondContact OE2-NE 3.29Å; E294-R441 IonicContact OE2-NH2 3.34Å; E294-R441 PolarHBondContact OE2-NH2 3.21Å; E294-R441 VanDerWaalsContact OE2-NH2 3.09Å; R441-L443 PolarHBondContact O-N 2.97Å; R441-L443 VanDerWaalsContact O-N 3.07Å; R441-E462 IonicContact CZ-OE1 3.75Å; R441-E462 IonicContact NH1-OE1 2.9Å; R441-E462 PolarHBondContact NH1-OE1 3.23Å; R441-E462 IonicContact NH2-OE1 3.23Å; R441-H465 HydrophobicContact CG-CB 3.66Å; R441-H465 PolarHBondContact NE-CD2 3.1Å; R441-H465 PolarHBondContact NE-NE2 3.11Å
442G53.6Low79.7Confident6 Ų621.2 Ų21.26%0.06211%0.112CC..SBendtrans62.19.3176.300000117.5L217 Q220L217-G442 WeakPolarHBondContact CA-O 3.4Å; L217-G442 WeakPolarHBondContact CB-O 3.41Å; L217-G442 WeakPolarHBondContact CD1-O 3.3Å; Q220-G442 PolarHBondContact OE1-O 2.69Å
443L65.8Low79.7Confident3 Ų321 Ų212%0.01611%0.111CC..  trans-100.1122.4168.8-65.6-166.9000110.5E216 F422 A439 R441 I445 R469E216-L443 HydrophobicContact CB-CD2 3.23Å; E216-L443 HydrophobicContact CG-CD2 4.01Å; F422-L443 HydrophobicContact CD2-CD1 3.93Å; F422-L443 HydrophobicContact CD2-CD2 4.3Å; F422-L443 HydrophobicContact CE2-CB 4.03Å; F422-L443 HydrophobicContact CE2-CD1 3.86Å; F422-L443 HydrophobicContact CE2-CD2 3.87Å; F422-L443 HydrophobicContact CE2-CG 4.15Å; F422-L443 HydrophobicContact CZ-CD2 4.25Å; A439-L443 VanDerWaalsContact CA-CD1 3.5Å; A439-L443 HydrophobicContact CB-CD1 3.66Å; R441-L443 PolarHBondContact O-N 2.97Å; R441-L443 VanDerWaalsContact O-N 3.07Å; L443-I445 HydrophobicContact CB-CD1 4.15Å; L443-I445 HydrophobicContact CB-CG1 4.14Å; L443-I445 HydrophobicContact CD1-CD1 4.14Å; L443-R469 PolarHBondContact O-NH1 3.08Å
444D62.1Low79.7Confident66 Ų6621.3 Ų21.335%0.35311%0.112SC..  trans-84.2117.6158.8-168.223.8000110.5Q220 F422 R472Q220-D444 HydrophobicContact CG-CB 3.91Å; Q220-D444 VanDerWaalsContact OE1-CB 3.27Å; F422-D444 VanDerWaalsContact CZ-O 3.27Å; F422-D444 WeakPolarHBondContact CZ-O 3.37Å; D444-R472 IonicContact OD1-CZ 3.06Å; D444-R472 IonicContact OD1-NH1 3.47Å; D444-R472 PolarHBondContact OD1-NH1 3.09Å
445I70.3Confident79.5Confident0 Ų021.5 Ų21.50%011%0.114CC..  trans-126.8117.9179-64.2172.2000104.1M383 F422 F425 L433 L443 E447 V448M383-I445 HydrophobicContact CE-CD1 3.55Å; M383-I445 HydrophobicContact SD-CD1 3.52Å; M383-I445 VanDerWaalsContact SD-CD1 3.52Å; F422-I445 HydrophobicContact CD2-CG1 4.47Å; F422-I445 HydrophobicContact CE2-CD1 4.38Å; F422-I445 HydrophobicContact CE2-CG1 3.75Å; F425-I445 HydrophobicContact CD1-CD1 4.47Å; F425-I445 HydrophobicContact CD1-CG2 3.81Å; F425-I445 HydrophobicContact CE1-CD1 4.46Å; F425-I445 HydrophobicContact CE1-CG2 3.59Å; L433-I445 HydrophobicContact CD2-CD1 4.44Å; L443-I445 HydrophobicContact CB-CD1 4.15Å; L443-I445 HydrophobicContact CB-CG1 4.14Å; L443-I445 HydrophobicContact CD1-CD1 4.14Å; I445-E447 PolarHBondContact O-N 2.87Å; I445-V448 HydrophobicContact CB-CG2 4.29Å; I445-V448 HydrophobicContact CG2-CG2 3.45Å; I445-V448 VanDerWaalsContact CG2-CG2 3.45Å
446P66.3Low79.2Confident61 Ų6121.8 Ų21.840%0.39612%0.115SC..SBendtrans-67134.2-176.925.7-32.8000110.6K381 C426 V448K381-P446 WeakPolarHBondContact CE-O 3.4Å; K381-P446 PolarHBondContact NZ-O 3.27Å; C426-P446 HydrophobicContact CB-CG 4.23Å; C426-P446 WeakPolarHBondContact O-CG 3.33Å; P446-V448 PolarHBondContact O-N 2.87Å
447E71.2Confident79.1Confident133 Ų13321.4 Ų21.462%0.62111%0.113SC*.  trans21.780.7172.7-62.4-168.4153.400115.9I445I445-E447 PolarHBondContact O-N 2.87Å
448V86.8Confident79Confident1 Ų122.8 Ų22.81%0.00612%0.12CC..  trans-82.3124.4169.9-173.80000108.8K381 M383 F425 I445 P446 W450 I451 T470K381-V448 VanDerWaalsContact O-CG1 3.23Å; K381-V448 WeakPolarHBondContact O-CG1 3.21Å; M383-V448 HydrophobicContact CB-CG1 4.44Å; M383-V448 HydrophobicContact CG-CG1 3.99Å; M383-V448 HydrophobicContact CG-CG2 4.24Å; M383-V448 HydrophobicContact SD-CG2 4.03Å; F425-V448 HydrophobicContact CE1-CG2 4.36Å; I445-V448 HydrophobicContact CB-CG2 4.29Å; I445-V448 HydrophobicContact CG2-CG2 3.45Å; I445-V448 VanDerWaalsContact CG2-CG2 3.45Å; P446-V448 PolarHBondContact O-N 2.87Å; V448-W450 VanDerWaalsContact C-N 3.33Å; V448-W450 WeakPolarHBondContact CG1-O 3.33Å; V448-W450 PolarHBondContact O-N 3.09Å; V448-I451 HydrophobicContact CB-CD1 4.26Å; V448-I451 HydrophobicContact CG1-CD1 3.88Å; V448-T470 WeakPolarHBondContact O-CB 3.49Å; V448-T470 PolarHBondContact O-OG1 3.4Å
449D89.4Confident79.3Confident44 Ų4423.9 Ų23.924%0.23513%0.125CC..SBendtrans-60.7-40.2177.6-66.8-105.9000113.5K380 K381 H479K380-D449 WeakPolarHBondContact CA-OD2 3.28Å; K380-D449 HydrophobicContact CB-CB 3.99Å; K380-D449 VanDerWaalsContact CB-OD2 3.22Å; K380-D449 WeakPolarHBondContact CB-OD2 3.23Å; K380-D449 HydrophobicContact CD-CB 3.99Å; K380-D449 WeakPolarHBondContact CD-OD1 3.47Å; K380-D449 HydrophobicContact CG-CB 4.2Å; K380-D449 WeakPolarHBondContact CG-OD1 3.27Å; K380-D449 IonicContact NZ-OD1 3.99Å; K380-D449 PolarHBondContact NZ-OD1 3.48Å; K381-D449 PolarHBondContact N-OD2 3.21Å; K381-D449 WeakPolarHBondContact O-CB 3.29Å; K381-D449 PolarHBondContact O-N 3.47Å; D449-H479 PolarHBondContact O-N 3.33Å; D449-H479 VanDerWaalsContact O-N 3.14Å; D449-H479 PolarHBondContact O-ND1 3.49Å
450W92.1Very high79.8Confident37 Ų3724.5 Ų24.514%0.1413%0.128CC..EExtended strand (participates in β ladder)trans-140.7127.6-166.7-81.492.1000113.3F373 K381 L382 M383 V448 H479 L481 F505F373-W450 HydrophobicContact CE2-CD2 4.44Å; F373-W450 HydrophobicContact CE2-CE3 4.23Å; F373-W450 HydrophobicContact CE2-CH2 4.49Å; F373-W450 HydrophobicContact CE2-CZ3 4.26Å; F373-W450 AromaticContact CZ-CD2 3.62Å; F373-W450 HydrophobicContact CZ-CD2 3.62Å; F373-W450 AromaticContact CZ-CE3 3.56Å; F373-W450 HydrophobicContact CZ-CE3 3.56Å; F373-W450 HydrophobicContact CZ-CG 4.05Å; F373-W450 HydrophobicContact CZ-CZ3 4.05Å; K381-W450 PolarHBondContact O-N 2.98Å; L382-W450 WeakPolarHBondContact CA-O 3.3Å; L382-W450 HydrophobicContact CD2-CB 3.71Å; L382-W450 HydrophobicContact CD2-CG 4.28Å; L382-W450 HydrophobicContact CG-CB 4.06Å; M383-W450 PolarHBondContact N-O 3Å; V448-W450 VanDerWaalsContact C-N 3.33Å; V448-W450 WeakPolarHBondContact CG1-O 3.33Å; V448-W450 PolarHBondContact O-N 3.09Å; W450-H479 WeakPolarHBondContact CA-O 3.47Å; W450-H479 HydrophobicContact CD2-CB 3.52Å; W450-H479 AromaticContact CE2-CG 3.68Å; W450-H479 AromaticContact CE2-ND1 3.96Å; W450-H479 HydrophobicContact CE3-CB 3.44Å; W450-H479 VanDerWaalsContact CE3-CB 3.44Å; W450-H479 HydrophobicContact CG-CB 4.27Å; W450-H479 HydrophobicContact CH2-CB 3.61Å; W450-H479 HydrophobicContact CZ2-CB 3.67Å; W450-H479 AromaticContact CZ2-CD2 3.75Å; W450-H479 AromaticContact CZ2-CG 3.66Å; W450-H479 HydrophobicContact CZ3-CB 3.5Å; W450-H479 VanDerWaalsContact CZ3-CB 3.5Å; W450-H479 AromaticContact NE1-ND1 3.88Å; W450-L481 HydrophobicContact CE3-CB 4.24Å; W450-L481 HydrophobicContact CZ3-CB 4.05Å; W450-F505 HydrophobicContact CZ3-CE2 4.44Å
451I92.7Very high80.5Confident0 Ų027.7 Ų27.70%014%0.142CC..EExtended strand (participates in β ladder)trans-103.8108167.8-56.5-56.5000109.2M383 F385 V448 Q453 R469 T470 H479 A480 L481M383-I451 HydrophobicContact CB-CD1 3.85Å; M383-I451 HydrophobicContact CG-CD1 4.24Å; M383-I451 HydrophobicContact SD-CD1 4.05Å; F385-I451 HydrophobicContact CD2-CG2 3.83Å; F385-I451 HydrophobicContact CE2-CG2 3.77Å; V448-I451 HydrophobicContact CB-CD1 4.26Å; V448-I451 HydrophobicContact CG1-CD1 3.88Å; I451-Q453 HydrophobicContact CG2-CG 4.28Å; I451-R469 HydrophobicContact CD1-CB 3.81Å; I451-T470 HydrophobicContact CB-CG2 4.49Å; I451-T470 HydrophobicContact CD1-CG2 4.5Å; I451-T470 HydrophobicContact CG1-CG2 3.52Å; I451-H479 PolarHBondContact N-O 3.37Å; I451-A480 WeakPolarHBondContact O-CA 3.46Å; I451-L481 PolarHBondContact O-N 2.89Å
452V94.3Very high81.2Confident0 Ų028.3 Ų28.30%015%0.146CC..EExtended strand (participates in β ladder)trans-96.5114.4174.3-175.40000109.1L370 F373 M383 V384 F385 Y454 L481 I483L370-V452 HydrophobicContact CD1-CG1 4.06Å; F373-V452 HydrophobicContact CD1-CG2 3.88Å; F373-V452 HydrophobicContact CE1-CG2 3.34Å; F373-V452 HydrophobicContact CZ-CG2 4.07Å; M383-V452 PolarHBondContact O-N 3.49Å; V384-V452 CarbonylContact C-O 3.5Å; V384-V452 VanDerWaalsContact CA-O 3.29Å; V384-V452 WeakPolarHBondContact CA-O 3.4Å; V384-V452 HydrophobicContact CG1-CB 4.29Å; V384-V452 HydrophobicContact CG1-CG1 4.29Å; V384-V452 HydrophobicContact CG2-CB 4.3Å; F385-V452 PolarHBondContact N-O 3.29Å; V452-Y454 PolarHBondContact O-N 3.49Å; V452-L481 HydrophobicContact CG1-CD2 4.31Å; V452-L481 HydrophobicContact CG2-CD2 4.5Å; V452-I483 HydrophobicContact CG1-CD1 4.07Å
453Q94Very high82.8Confident0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-91.891170-59.2-169.655.800107.7I451 R466 L481 L482 I483I451-Q453 HydrophobicContact CG2-CG 4.28Å; Q453-R466 VanDerWaalsContact OE1-NH1 3.07Å; Q453-L481 PolarHBondContact N-O 3.4Å; Q453-L482 HydrophobicContact CB-CD1 3.7Å; Q453-I483 PolarHBondContact O-N 3.21Å
454Y94.3Very high83.6Confident7 Ų729.5 Ų29.53%0.02715%0.15CC..SBendtrans-69.2-41.7-178.5-179.6-99.4000111.1R366 F367 L370 F385 F386 V452 I483R366-Y454 HydrophobicContact CB-CE2 3.99Å; R366-Y454 WeakPolarHBondContact CB-OH 3.46Å; R366-Y454 PolarHBondContact NH2-O 2.93Å; R366-Y454 WeakPolarHBondContact O-CE2 3.5Å; F367-Y454 PolarHBondContact N-OH 2.84Å; L370-Y454 HydrophobicContact CB-CD2 3.89Å; L370-Y454 HydrophobicContact CB-CE2 3.79Å; L370-Y454 HydrophobicContact CD1-CD2 4.21Å; L370-Y454 HydrophobicContact CD2-CD2 3.66Å; L370-Y454 HydrophobicContact CD2-CE2 3.84Å; L370-Y454 HydrophobicContact CD2-CG 4.23Å; L370-Y454 HydrophobicContact CG-CD2 4.12Å; L370-Y454 HydrophobicContact CG-CE2 4.35Å; F385-Y454 WeakPolarHBondContact O-CB 3.44Å; F385-Y454 PolarHBondContact O-N 2.95Å; F386-Y454 AromaticContact CD1-CD1 3.51Å; F386-Y454 HydrophobicContact CD1-CD1 3.51Å; F386-Y454 HydrophobicContact CD1-CE1 4.2Å; F386-Y454 HydrophobicContact CD1-CG 4.16Å; F386-Y454 AromaticContact CE1-CD1 3.47Å; F386-Y454 HydrophobicContact CE1-CD1 3.47Å; F386-Y454 VanDerWaalsContact CE1-CD1 3.47Å; F386-Y454 AromaticContact CE1-CE1 4Å; F386-Y454 HydrophobicContact CE1-CE1 4Å; F386-Y454 AromaticContact CE1-CG 3.85Å; F386-Y454 HydrophobicContact CE1-CG 3.85Å; V452-Y454 PolarHBondContact O-N 3.49Å; Y454-I483 HydrophobicContact CD2-CD1 3.98Å
455D90.8Very high84.4Confident4 Ų426.5 Ų26.52%0.02113%0.134CC..SBendtrans-105.8135.2163.4-66.3-44000109.4R366 F385 S387 R466 Y540R366-D455 IonicContact CZ-OD1 3.65Å; R366-D455 IonicContact NH2-OD1 3.93Å; R366-D455 PolarHBondContact NH2-OD1 2.86Å; F385-D455 PolarHBondContact O-N 3.17Å; S387-D455 VanDerWaalsContact CB-OD2 3.28Å; S387-D455 WeakPolarHBondContact CB-OD2 3.19Å; S387-D455 PolarHBondContact N-OD2 3.32Å; S387-D455 PolarHBondContact OG-OD2 3.43Å; D455-R466 PolarHBondContact O-NH1 2.92Å; D455-Y540 WeakPolarHBondContact OD1-CE2 3.18Å
456P88.1Confident85.1Confident6 Ų626.6 Ų26.64%0.03913%0.134CC..  trans-63.7152.9172.227.5-34.2000111.5L482 L484 Y553P456-L482 HydrophobicContact CB-CD1 4.15Å; P456-L484 HydrophobicContact CB-CD2 3.91Å; P456-L484 HydrophobicContact CG-CD2 4.13Å; P456-Y553 HydrophobicContact CB-CE1 4.41Å; P456-Y553 WeakPolarHBondContact CB-OH 3.24Å; P456-Y553 HydrophobicContact CG-CE1 3.6Å; P456-Y553 WeakPolarHBondContact CG-OH 3.37Å
457P87Confident86Confident1 Ų123.7 Ų23.71%0.00612%0.116CC..  trans-75.5172.117926.6-25.9000112.7E462 Y463 F491 H547P457-E462 HydrophobicContact CB-CB 3.88Å; P457-E462 HydrophobicContact CB-CG 3.75Å; P457-E462 WeakPolarHBondContact CB-OE2 3.32Å; P457-Y463 HydrophobicContact CG-CD2 4.46Å; P457-F491 HydrophobicContact CG-CE1 4.2Å; P457-F491 HydrophobicContact CG-CZ 3.99Å; P457-H547 PolarHBondContact O-NE2 2.95Å
458D81.6Confident86.3Confident51 Ų5117.8 Ų17.827%0.2739%0.09SC..SBendtrans-73.4-30.7175.4-104.977000113E462 H547 S548D458-E462 PolarHBondContact N-OE2 3.01Å; D458-H547 IonicContact OD1-CD2 3.99Å; D458-H547 IonicContact OD1-CE1 3.16Å; D458-H547 IonicContact OD1-CG 2.99Å; D458-H547 IonicContact OD1-ND1 3.6Å; D458-H547 IonicContact OD1-NE2 2.67Å; D458-H547 WeakPolarHBondContact OD2-CA 3.35Å; D458-H547 IonicContact OD2-CD2 2.8Å; D458-S548 WeakPolarHBondContact OD2-CB 3.42Å; D458-S548 PolarHBondContact OD2-N 2.95Å; D458-S548 PolarHBondContact OD2-OG 3.49Å
459D81.3Confident85.9Confident71 Ų7117.9 Ų17.938%0.389%0.09SC..SBendtrans-143.9147.3-171.7-176.381.8000112.5K461 E462 Y463D459-K461 PolarHBondContact O-N 3.48Å; D459-K461 WeakPolarHBondContact OD2-CB 3.13Å; D459-K461 VanDerWaalsContact OD2-CG 3.28Å; D459-K461 WeakPolarHBondContact OD2-CG 3.39Å; D459-K461 PolarHBondContact OD2-N 3.4Å; D459-E462 WeakPolarHBondContact O-CB 3.21Å; D459-E462 PolarHBondContact O-N 3.42Å; D459-E462 VanDerWaalsContact O-N 3.11Å; D459-Y463 PolarHBondContact O-N 2.82Å
460P83.7Confident85.4Confident12 Ų1215.9 Ų15.98%0.0788%0.08CC..Hα-helixtrans-54.5-29174.9-30.638.5000116Y463 I464 F494 L495 A498P460-Y463 WeakPolarHBondContact O-CB 3.17Å; P460-Y463 PolarHBondContact O-N 3.26Å; P460-I464 WeakPolarHBondContact O-CG1 3.4Å; P460-I464 PolarHBondContact O-N 2.96Å; P460-I464 VanDerWaalsContact O-N 3.08Å; P460-F494 HydrophobicContact CG-CB 3.92Å; P460-L495 HydrophobicContact CB-CD2 4.07Å; P460-L495 HydrophobicContact CG-CD2 4.45Å; P460-A498 HydrophobicContact CB-CB 3.63Å; P460-A498 HydrophobicContact CG-CB 4.38Å
461K79.1Confident84.4Confident67 Ų6714.5 Ų14.529%0.2918%0.076SC..Hα-helixtrans-67.2-40.6175.9-62.9176.5177.6-163.10111.4T320 D459 Y463 I464 H465T320-K461 HydrophobicContact CG2-CD 4.18Å; T320-K461 HydrophobicContact CG2-CG 4.32Å; D459-K461 PolarHBondContact O-N 3.48Å; D459-K461 WeakPolarHBondContact OD2-CB 3.13Å; D459-K461 VanDerWaalsContact OD2-CG 3.28Å; D459-K461 WeakPolarHBondContact OD2-CG 3.39Å; D459-K461 PolarHBondContact OD2-N 3.4Å; K461-Y463 VanDerWaalsContact C-N 3.29Å; K461-Y463 PolarHBondContact O-N 2.51Å; K461-I464 WeakPolarHBondContact O-CB 3.37Å; K461-I464 PolarHBondContact O-N 3.24Å; K461-I464 VanDerWaalsContact O-N 3.11Å; K461-H465 PolarHBondContact O-CD2 3.25Å; K461-H465 PolarHBondContact O-N 3.34Å
462E81.2Confident83.4Confident25 Ų2516.1 Ų16.112%0.1178%0.083CC..Hα-helixtrans-64.6-35.4175.4-176.2163.7-96.700111.8D437 R441 P457 D458 D459 H465 R466D437-E462 VanDerWaalsContact CG-CD 3.44Å; D437-E462 VanDerWaalsContact OD1-CD 3.26Å; D437-E462 VanDerWaalsContact OD1-CG 3.31Å; D437-E462 WeakPolarHBondContact OD1-CG 3.49Å; R441-E462 IonicContact CZ-OE1 3.75Å; R441-E462 IonicContact NH1-OE1 2.9Å; R441-E462 PolarHBondContact NH1-OE1 3.23Å; R441-E462 IonicContact NH2-OE1 3.23Å; P457-E462 HydrophobicContact CB-CB 3.88Å; P457-E462 HydrophobicContact CB-CG 3.75Å; P457-E462 WeakPolarHBondContact CB-OE2 3.32Å; D458-E462 PolarHBondContact N-OE2 3.01Å; D459-E462 WeakPolarHBondContact O-CB 3.21Å; D459-E462 PolarHBondContact O-N 3.42Å; D459-E462 VanDerWaalsContact O-N 3.11Å; E462-H465 PolarHBondContact O-N 3.02Å; E462-R466 WeakPolarHBondContact O-CB 3.44Å; E462-R466 VanDerWaalsContact O-CG 3.22Å; E462-R466 WeakPolarHBondContact O-CG 3.47Å; E462-R466 PolarHBondContact O-N 3.33Å
463Y86.8Confident81.9Confident0 Ų019 Ų190%011%0.113CC..Hα-helixtrans-56-52.1167.4180-80.2000111.3Q356 P457 D459 P460 K461 H465 R466 V467 L482 L495 V500 L502Q356-Y463 PolarHBondContact OE1-OH 3.45Å; P457-Y463 HydrophobicContact CG-CD2 4.46Å; D459-Y463 PolarHBondContact O-N 2.82Å; P460-Y463 WeakPolarHBondContact O-CB 3.17Å; P460-Y463 PolarHBondContact O-N 3.26Å; K461-Y463 VanDerWaalsContact C-N 3.29Å; K461-Y463 PolarHBondContact O-N 2.51Å; Y463-H465 PolarHBondContact O-N 3.29Å; Y463-R466 WeakPolarHBondContact O-CB 3.34Å; Y463-R466 PolarHBondContact O-N 3.43Å; Y463-V467 HydrophobicContact CD1-CG1 4.27Å; Y463-V467 HydrophobicContact CD1-CG2 4.39Å; Y463-V467 HydrophobicContact CE1-CG1 3.71Å; Y463-V467 HydrophobicContact CE1-CG2 4.08Å; Y463-V467 HydrophobicContact CE2-CG1 4.37Å; Y463-V467 PolarHBondContact O-N 3.48Å; Y463-L482 HydrophobicContact CD2-CD1 4.36Å; Y463-L482 HydrophobicContact CD2-CD2 4.39Å; Y463-L482 HydrophobicContact CE2-CB 4.28Å; Y463-L482 HydrophobicContact CE2-CD1 4.22Å; Y463-L482 HydrophobicContact CE2-CD2 3.97Å; Y463-L482 HydrophobicContact CE2-CG 4.39Å; Y463-L495 HydrophobicContact CD1-CD2 3.92Å; Y463-L495 HydrophobicContact CD2-CD1 4.17Å; Y463-L495 HydrophobicContact CD2-CD2 4.01Å; Y463-L495 HydrophobicContact CE2-CD1 4.24Å; Y463-L495 HydrophobicContact CG-CD2 3.62Å; Y463-V500 HydrophobicContact CD1-CG1 4.16Å; Y463-V500 HydrophobicContact CE1-CG1 3.64Å; Y463-L502 HydrophobicContact CE2-CD2 4.24Å; Y463-L502 WeakPolarHBondContact OH-CD2 3.42Å
464I81.7Confident80.2Confident33 Ų3325.9 Ų25.917%0.16915%0.147CC..Hα-helixtrans-58.8-45-179.6-65.7160.5000110.9A349 P460 K461 R466 V467 G468 V500A349-I464 HydrophobicContact CB-CD1 3.81Å; P460-I464 WeakPolarHBondContact O-CG1 3.4Å; P460-I464 PolarHBondContact O-N 2.96Å; P460-I464 VanDerWaalsContact O-N 3.08Å; K461-I464 WeakPolarHBondContact O-CB 3.37Å; K461-I464 PolarHBondContact O-N 3.24Å; K461-I464 VanDerWaalsContact O-N 3.11Å; I464-R466 PolarHBondContact O-N 3.13Å; I464-V467 WeakPolarHBondContact O-CG2 3.49Å; I464-V467 PolarHBondContact O-N 3.09Å; I464-G468 PolarHBondContact O-N 2.97Å; I464-V500 HydrophobicContact CD1-CG2 4.07Å; I464-V500 HydrophobicContact CG1-CG2 3.85Å
465H79.2Confident78.8Confident3 Ų332.2 Ų32.21%0.01418%0.182CC..Hα-helixtrans-64.8-39.5178.5-60.2-61.5000113.2A440 R441 K461 E462 Y463 G468 R469A440-H465 CarbonylContact O-C 3.47Å; R441-H465 HydrophobicContact CG-CB 3.66Å; R441-H465 PolarHBondContact NE-CD2 3.1Å; R441-H465 PolarHBondContact NE-NE2 3.11Å; K461-H465 PolarHBondContact O-CD2 3.25Å; K461-H465 PolarHBondContact O-N 3.34Å; E462-H465 PolarHBondContact O-N 3.02Å; Y463-H465 PolarHBondContact O-N 3.29Å; H465-G468 PolarHBondContact O-N 3.44Å; H465-R469 PolarHBondContact O-NE 2.92Å; H465-R469 PolarHBondContact O-NH2 2.92Å; H465-R469 VanDerWaalsContact O-NH2 3.13Å
466R85.7Confident77.8Confident2 Ų232.4 Ų32.41%0.00818%0.184CC..Hα-helixtrans-61.3-49.7175.7-76.2171.1175.4-164.3-0.8111.4F385 D437 A440 Q453 D455 E462 Y463 I464 G468 R469F385-R466 HydrophobicContact CD1-CG 4.13Å; F385-R466 HydrophobicContact CD2-CB 4.09Å; F385-R466 HydrophobicContact CD2-CG 3.95Å; F385-R466 HydrophobicContact CE1-CG 4.19Å; F385-R466 HydrophobicContact CE2-CB 3.91Å; F385-R466 HydrophobicContact CE2-CG 3.98Å; F385-R466 HydrophobicContact CG-CG 4.02Å; F385-R466 HydrophobicContact CZ-CB 4.35Å; F385-R466 HydrophobicContact CZ-CG 4.1Å; D437-R466 IonicContact OD1-CZ 3.72Å; D437-R466 VanDerWaalsContact OD1-CZ 3.29Å; D437-R466 IonicContact OD1-NE 2.75Å; D437-R466 PolarHBondContact OD1-NE 2.61Å; D437-R466 IonicContact OD1-NH2 2.68Å; D437-R466 PolarHBondContact OD1-NH2 3.04Å; D437-R466 IonicContact OD2-CZ 3.11Å; D437-R466 IonicContact OD2-NE 2.69Å; D437-R466 IonicContact OD2-NH2 2.82Å; D437-R466 PolarHBondContact OD2-NH2 3.49Å; A440-R466 HydrophobicContact CB-CB 4.49Å; A440-R466 HydrophobicContact CB-CG 3.6Å; Q453-R466 VanDerWaalsContact OE1-NH1 3.07Å; D455-R466 PolarHBondContact O-NH1 2.92Å; E462-R466 WeakPolarHBondContact O-CB 3.44Å; E462-R466 VanDerWaalsContact O-CG 3.22Å; E462-R466 WeakPolarHBondContact O-CG 3.47Å; E462-R466 PolarHBondContact O-N 3.33Å; Y463-R466 WeakPolarHBondContact O-CB 3.34Å; Y463-R466 PolarHBondContact O-N 3.43Å; I464-R466 PolarHBondContact O-N 3.13Å; R466-G468 VanDerWaalsContact C-N 3.32Å; R466-R469 WeakPolarHBondContact O-CB 3.49Å; R466-R469 WeakPolarHBondContact O-CG 3.4Å; R466-R469 PolarHBondContact O-N 3.04Å
467V84.9Confident77.5Confident1 Ų142.2 Ų42.21%0.00622%0.221CC..Hα-helixtrans-70.9-30179.4-56.20000111.9T350 L354 Y463 I464 R469 T470 A480T350-V467 HydrophobicContact CG2-CG2 3.9Å; L354-V467 HydrophobicContact CD1-CB 4.45Å; L354-V467 HydrophobicContact CD2-CB 3.78Å; L354-V467 HydrophobicContact CD2-CG2 3.59Å; Y463-V467 HydrophobicContact CD1-CG1 4.27Å; Y463-V467 HydrophobicContact CD1-CG2 4.39Å; Y463-V467 HydrophobicContact CE1-CG1 3.71Å; Y463-V467 HydrophobicContact CE1-CG2 4.08Å; Y463-V467 HydrophobicContact CE2-CG1 4.37Å; Y463-V467 PolarHBondContact O-N 3.48Å; I464-V467 WeakPolarHBondContact O-CG2 3.49Å; I464-V467 PolarHBondContact O-N 3.09Å; V467-R469 PolarHBondContact O-N 3.06Å; V467-T470 VanDerWaalsContact O-CG2 3.3Å; V467-T470 WeakPolarHBondContact O-CG2 3.37Å; V467-T470 PolarHBondContact O-N 2.72Å; V467-A480 HydrophobicContact CB-CB 4.18Å; V467-A480 HydrophobicContact CG1-CB 3.51Å
468G77.4Confident77.4Confident8 Ų842.3 Ų42.38%0.08222%0.222CC..THydrogen-bonded Turntrans-64.313.4168.600000115.8I464 H465 R466 R472I464-G468 PolarHBondContact O-N 2.97Å; H465-G468 PolarHBondContact O-N 3.44Å; R466-G468 VanDerWaalsContact C-N 3.32Å; G468-R472 VanDerWaalsContact O-CZ 3.31Å; G468-R472 PolarHBondContact O-NE 3.37Å; G468-R472 PolarHBondContact O-NH2 3.02Å
469R78.5Confident77.8Confident3 Ų342 Ų421%0.01122%0.218CC..THydrogen-bonded Turntrans-92.9-10.4163.5-58.7-47.2103.2173.56.2113.4T179 M383 F385 A440 L443 I451 H465 R466 V467 R472T179-R469 PolarHBondContact OG1-NH2 3.25Å; M383-R469 HydrophobicContact CE-CG 4.25Å; M383-R469 HydrophobicContact SD-CB 3.83Å; M383-R469 HydrophobicContact SD-CG 4.12Å; F385-R469 HydrophobicContact CZ-CG 4.38Å; A440-R469 PolarHBondContact O-NE 3.46Å; A440-R469 PolarHBondContact O-NH2 3.47Å; A440-R469 VanDerWaalsContact O-NH2 3.13Å; L443-R469 PolarHBondContact O-NH1 3.08Å; I451-R469 HydrophobicContact CD1-CB 3.81Å; H465-R469 PolarHBondContact O-NE 2.92Å; H465-R469 PolarHBondContact O-NH2 2.92Å; H465-R469 VanDerWaalsContact O-NH2 3.13Å; R466-R469 WeakPolarHBondContact O-CB 3.49Å; R466-R469 WeakPolarHBondContact O-CG 3.4Å; R466-R469 PolarHBondContact O-N 3.04Å; V467-R469 PolarHBondContact O-N 3.06Å; R469-R472 VanDerWaalsContact CZ-NH2 3.28Å
470T78.8Confident78.4Confident2 Ų238.6 Ų38.61%0.01220%0.2CC..SBendtrans-114.7179.7168.7-175.40000110.1L354 V448 I451 V467 R472 G478L354-T470 HydrophobicContact CD1-CG2 3.35Å; V448-T470 WeakPolarHBondContact O-CB 3.49Å; V448-T470 PolarHBondContact O-OG1 3.4Å; I451-T470 HydrophobicContact CB-CG2 4.49Å; I451-T470 HydrophobicContact CD1-CG2 4.5Å; I451-T470 HydrophobicContact CG1-CG2 3.52Å; V467-T470 VanDerWaalsContact O-CG2 3.3Å; V467-T470 WeakPolarHBondContact O-CG2 3.37Å; V467-T470 PolarHBondContact O-N 2.72Å; T470-R472 PolarHBondContact O-N 3.04Å; T470-G478 WeakPolarHBondContact OG1-CA 3.48Å
471A72.1Confident78.8Confident8 Ų838.4 Ų38.47%0.06620%0.199CC..SBendtrans49.758.2-179.500000113.3V351 L354 G476V351-A471 HydrophobicContact CG2-CB 3.61Å; V351-A471 WeakPolarHBondContact CG2-O 3.46Å; L354-A471 HydrophobicContact CB-CB 4.04Å; L354-A471 HydrophobicContact CD1-CB 4.21Å; A471-G476 VanDerWaalsContact CA-O 3.27Å; A471-G476 WeakPolarHBondContact CA-O 3.37Å; A471-G476 WeakPolarHBondContact CB-O 3.48Å
472R70.2Confident79.5Confident35 Ų3535.2 Ų35.213%0.13219%0.185CC..  trans-109.3145.4-174.9-69.5-175.9161.6-131-10.9111.6D444 G468 R469 T470 G476D444-R472 IonicContact OD1-CZ 3.06Å; D444-R472 IonicContact OD1-NH1 3.47Å; D444-R472 PolarHBondContact OD1-NH1 3.09Å; G468-R472 VanDerWaalsContact O-CZ 3.31Å; G468-R472 PolarHBondContact O-NE 3.37Å; G468-R472 PolarHBondContact O-NH2 3.02Å; R469-R472 VanDerWaalsContact CZ-NH2 3.28Å; T470-R472 PolarHBondContact O-N 3.04Å; R472-G476 VanDerWaalsContact O-CA 3.29Å; R472-G476 WeakPolarHBondContact O-CA 3.47Å
473G64.3Low80.1Confident61 Ų6134.1 Ų34.163%0.62918%0.18SC*.SBendtrans87.4-171.6-171.900000111.9
474I56.9Low80.3Confident143 Ų14334.1 Ų34.173%0.73318%0.18SC*.SBendtrans-78.1-45.2-175.1-64172.4000110.9
475D65.1Low80.8Confident141 Ų14132.6 Ų32.675%0.75417%0.172SC*.SBendtrans-97.76.1180-63.1-77.8000114.1R477D475-R477 PolarHBondContact O-N 2.98Å
476G70.1Confident81.2Confident7 Ų735.3 Ų35.37%0.07219%0.19CC..  trans-64.3115.7-170.900000113.1A471 R472A471-G476 VanDerWaalsContact CA-O 3.27Å; A471-G476 WeakPolarHBondContact CA-O 3.37Å; A471-G476 WeakPolarHBondContact CB-O 3.48Å; R472-G476 VanDerWaalsContact O-CA 3.29Å; R472-G476 WeakPolarHBondContact O-CA 3.47Å
477R81.6Confident81.3Confident213 Ų21339.8 Ų39.880%0.80421%0.211SC*.  trans-97.9148.5176.4-55.3-174.9-164-179.14.1111.3G353 D475G353-R477 WeakPolarHBondContact O-CA 3.48Å; D475-R477 PolarHBondContact O-N 2.98Å
478G86.3Confident81.5Confident2 Ų239.8 Ų39.82%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-159.4156.3-176.400000113.8G353 L354 E355 T470G353-G478 PolarHBondContact O-N 3.43Å; L354-G478 WeakPolarHBondContact CA-O 3.47Å; E355-G478 PolarHBondContact N-O 3.12Å; T470-G478 WeakPolarHBondContact OG1-CA 3.48Å
479H90.1Very high82.1Confident44 Ų4442.6 Ų42.620%0.20422%0.223CC..EExtended strand (participates in β ladder)trans-127.8136.7177.7-4374.7000110.5E355 D449 W450 I451E355-H479 CarbonylContact O-C 3.45Å; E355-H479 WeakPolarHBondContact O-CA 3.2Å; E355-H479 IonicContact OE2-CD2 3.64Å; D449-H479 PolarHBondContact O-N 3.33Å; D449-H479 VanDerWaalsContact O-N 3.14Å; D449-H479 PolarHBondContact O-ND1 3.49Å; W450-H479 WeakPolarHBondContact CA-O 3.47Å; W450-H479 HydrophobicContact CD2-CB 3.52Å; W450-H479 AromaticContact CE2-CG 3.68Å; W450-H479 AromaticContact CE2-ND1 3.96Å; W450-H479 HydrophobicContact CE3-CB 3.44Å; W450-H479 VanDerWaalsContact CE3-CB 3.44Å; W450-H479 HydrophobicContact CG-CB 4.27Å; W450-H479 HydrophobicContact CH2-CB 3.61Å; W450-H479 HydrophobicContact CZ2-CB 3.67Å; W450-H479 AromaticContact CZ2-CD2 3.75Å; W450-H479 AromaticContact CZ2-CG 3.66Å; W450-H479 HydrophobicContact CZ3-CB 3.5Å; W450-H479 VanDerWaalsContact CZ3-CB 3.5Å; W450-H479 AromaticContact NE1-ND1 3.88Å; I451-H479 PolarHBondContact N-O 3.37Å
480A92.1Very high82.5Confident0 Ų043.7 Ų43.70%024%0.236CC..EExtended strand (participates in β ladder)trans-118.8128.1174.400000111.2L354 E355 Q356 G357 I451 V467L354-A480 HydrophobicContact CD1-CB 4.39Å; E355-A480 PolarHBondContact O-N 2.7Å; Q356-A480 HydrophobicContact CG-CB 4.26Å; G357-A480 PolarHBondContact N-O 2.7Å; I451-A480 WeakPolarHBondContact O-CA 3.46Å; V467-A480 HydrophobicContact CB-CB 4.18Å; V467-A480 HydrophobicContact CG1-CB 3.51Å
481L93.1Very high83Confident9 Ų943.6 Ų43.65%0.04724%0.235CC..EExtended strand (participates in β ladder)trans-115.2115.5175.9171.260.9000109.9G357 V359 F373 W450 I451 V452 Q453 I483 F505G357-L481 WeakPolarHBondContact O-CA 3.39Å; V359-L481 HydrophobicContact CB-CD1 4.14Å; V359-L481 HydrophobicContact CG2-CD1 3.56Å; F373-L481 HydrophobicContact CD2-CD2 3.96Å; F373-L481 HydrophobicContact CE2-CD2 3.82Å; F373-L481 HydrophobicContact CG-CD2 4.36Å; F373-L481 HydrophobicContact CZ-CD2 4.12Å; W450-L481 HydrophobicContact CE3-CB 4.24Å; W450-L481 HydrophobicContact CZ3-CB 4.05Å; I451-L481 PolarHBondContact O-N 2.89Å; V452-L481 HydrophobicContact CG1-CD2 4.31Å; V452-L481 HydrophobicContact CG2-CD2 4.5Å; Q453-L481 PolarHBondContact N-O 3.4Å; L481-I483 HydrophobicContact CG-CG1 4.27Å; L481-F505 HydrophobicContact CD1-CD2 4.09Å
482L94Very high83.8Confident0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-99.1119172.6-175.564.6000110.7G357 Y358 V359 Q453 P456 Y463 L484 F491 L492 L495 L502G357-L482 PolarHBondContact O-N 3.22Å; Y358-L482 CarbonylContact C-O 3.54Å; Y358-L482 WeakPolarHBondContact CA-O 3.29Å; Y358-L482 WeakPolarHBondContact CB-O 3.46Å; V359-L482 PolarHBondContact N-O 2.91Å; Q453-L482 HydrophobicContact CB-CD1 3.7Å; P456-L482 HydrophobicContact CB-CD1 4.15Å; Y463-L482 HydrophobicContact CD2-CD1 4.36Å; Y463-L482 HydrophobicContact CD2-CD2 4.39Å; Y463-L482 HydrophobicContact CE2-CB 4.28Å; Y463-L482 HydrophobicContact CE2-CD1 4.22Å; Y463-L482 HydrophobicContact CE2-CD2 3.97Å; Y463-L482 HydrophobicContact CE2-CG 4.39Å; L482-L484 HydrophobicContact CD1-CD2 4.31Å; L482-L484 HydrophobicContact CD2-CD1 4.05Å; L482-L484 HydrophobicContact CD2-CD2 3.95Å; L482-L484 HydrophobicContact CD2-CG 4.03Å; L482-L484 HydrophobicContact CG-CD1 4.5Å; L482-L484 HydrophobicContact CG-CD2 3.9Å; L482-L484 HydrophobicContact CG-CG 3.96Å; L482-F491 HydrophobicContact CD2-CD1 4.43Å; L482-L492 HydrophobicContact CD2-CD2 4.49Å; L482-L495 HydrophobicContact CD2-CD1 3.8Å; L482-L502 HydrophobicContact CB-CD2 4.37Å; L482-L502 HydrophobicContact CD2-CD2 4.09Å
483I93.3Very high84.7Confident1 Ų152.9 Ų52.91%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-93.6114.9176.3-60.7174.5000108.5C361 R366 L369 V452 Q453 Y454 L481C361-I483 HydrophobicContact CB-CG2 3.92Å; R366-I483 HydrophobicContact CG-CG2 4.15Å; L369-I483 HydrophobicContact CD2-CD1 4.03Å; L369-I483 HydrophobicContact CD2-CG1 4.2Å; L369-I483 HydrophobicContact CD2-CG2 4.27Å; V452-I483 HydrophobicContact CG1-CD1 4.07Å; Q453-I483 PolarHBondContact O-N 3.21Å; Y454-I483 HydrophobicContact CD2-CD1 3.98Å; L481-I483 HydrophobicContact CG-CG1 4.27Å
484L92Very high85.7Confident0 Ų053.4 Ų53.40%026%0.256CS..EExtended strand (participates in β ladder)trans-117.4147.1178.7-63.5-179000110.7V359 V360 C361 P456 L482 E488 L492V359-L484 PolarHBondContact O-N 2.84Å; V360-L484 CarbonylContact C-O 3.39Å; V360-L484 WeakPolarHBondContact CA-O 3.5Å; C361-L484 PolarHBondContact N-O 3.34Å; P456-L484 HydrophobicContact CB-CD2 3.91Å; P456-L484 HydrophobicContact CG-CD2 4.13Å; L482-L484 HydrophobicContact CD1-CD2 4.31Å; L482-L484 HydrophobicContact CD2-CD1 4.05Å; L482-L484 HydrophobicContact CD2-CD2 3.95Å; L482-L484 HydrophobicContact CD2-CG 4.03Å; L482-L484 HydrophobicContact CG-CD1 4.5Å; L482-L484 HydrophobicContact CG-CD2 3.9Å; L482-L484 HydrophobicContact CG-CG 3.96Å; L484-E488 HydrophobicContact CB-CB 4.29Å; L484-E488 HydrophobicContact CD2-CB 4.17Å; L484-L492 HydrophobicContact CD1-CD1 4.32Å; L484-L492 HydrophobicContact CD1-CD2 3.75Å; L484-L492 HydrophobicContact CD1-CG 3.86Å
485R90.9Very high87.1Confident2 Ų246.6 Ų46.61%0.00822%0.221CC..  trans-80.8160.2162.7-60.2-170.8-60.8115.111.9110.7C361 S363 Q487 E488 Y544C361-R485 WeakPolarHBondContact O-CA 3.29Å; S363-R485 WeakPolarHBondContact OG-CD 3.47Å; R485-Q487 PolarHBondContact O-N 2.86Å; R485-Q487 VanDerWaalsContact O-N 3.09Å; R485-E488 HydrophobicContact CB-CG 4.19Å; R485-E488 WeakPolarHBondContact CB-OE2 3.43Å; R485-E488 IonicContact CZ-OE1 3.93Å; R485-E488 PolarHBondContact N-OE2 3.39Å; R485-E488 IonicContact NE-OE1 3.8Å; R485-E488 PolarHBondContact NE-OE1 3.39Å; R485-E488 IonicContact NE-OE2 3.74Å; R485-E488 IonicContact NH2-OE1 3.82Å; R485-E488 PolarHBondContact NH2-OE1 3.13Å; R485-E488 WeakPolarHBondContact O-CB 3.49Å; R485-E488 PolarHBondContact O-N 3.01Å; R485-Y544 VanDerWaalsContact NH2-CZ 3.27Å; R485-Y544 PolarHBondContact NH2-OH 2.63Å
486P88.4Confident88.1Confident60 Ų6048.1 Ų48.139%0.3922%0.221SC..G310 helixtrans-54.1-32.4178.1-27.134.3000114.4V360 E488V360-P486 HydrophobicContact CG1-CB 4.25Å; V360-P486 HydrophobicContact CG1-CG 3.78Å; P486-E488 VanDerWaalsContact C-N 3.3Å; P486-E488 PolarHBondContact O-N 2.82Å
487Q88.3Confident88.8Confident96 Ų9655.5 Ų55.545%0.44925%0.254SS..G310 helixtrans-76.5-15.1177.6-6076.322.900113.4R485R485-Q487 PolarHBondContact O-N 2.86Å; R485-Q487 VanDerWaalsContact O-N 3.09Å
488E89Confident88.7Confident0 Ų046.9 Ų46.90%023%0.228CC..G310 helixtrans-94.5-7.4-174.6-65.3162.4-176.100112.5L484 R485 P486 G490 F491 Y544 I552 Y553L484-E488 HydrophobicContact CB-CB 4.29Å; L484-E488 HydrophobicContact CD2-CB 4.17Å; R485-E488 HydrophobicContact CB-CG 4.19Å; R485-E488 WeakPolarHBondContact CB-OE2 3.43Å; R485-E488 IonicContact CZ-OE1 3.93Å; R485-E488 PolarHBondContact N-OE2 3.39Å; R485-E488 IonicContact NE-OE1 3.8Å; R485-E488 PolarHBondContact NE-OE1 3.39Å; R485-E488 IonicContact NE-OE2 3.74Å; R485-E488 IonicContact NH2-OE1 3.82Å; R485-E488 PolarHBondContact NH2-OE1 3.13Å; R485-E488 WeakPolarHBondContact O-CB 3.49Å; R485-E488 PolarHBondContact O-N 3.01Å; P486-E488 VanDerWaalsContact C-N 3.3Å; P486-E488 PolarHBondContact O-N 2.82Å; E488-G490 PolarHBondContact O-N 2.92Å; E488-F491 VanDerWaalsContact O-CB 3.25Å; E488-F491 WeakPolarHBondContact O-CB 3.28Å; E488-F491 PolarHBondContact O-N 3.34Å; E488-Y544 VanDerWaalsContact OE1-CE2 3.25Å; E488-Y544 WeakPolarHBondContact OE1-CE2 3.49Å; E488-Y544 PolarHBondContact OE1-OH 2.68Å; E488-I552 HydrophobicContact CB-CG2 4.41Å; E488-Y553 HydrophobicContact CB-CE1 4.24Å; E488-Y553 HydrophobicContact CG-CD1 4.17Å; E488-Y553 HydrophobicContact CG-CE1 3.78Å
489L89.3Confident88.5Confident67 Ų6751.1 Ų51.135%0.35125%0.246SC..THydrogen-bonded Turntrans-51.7-26.4176.9-75173.9000114.3Y358 V360 F491 L492Y358-L489 HydrophobicContact CD2-CD2 4.41Å; Y358-L489 HydrophobicContact CE2-CD2 3.93Å; V360-L489 HydrophobicContact CG2-CD2 3.77Å; V360-L489 HydrophobicContact CG2-CG 4.49Å; L489-F491 PolarHBondContact O-N 2.68Å; L489-F491 VanDerWaalsContact O-N 3.14Å; L489-L492 HydrophobicContact CD2-CD1 3.66Å; L489-L492 WeakPolarHBondContact O-CB 3.13Å; L489-L492 PolarHBondContact O-N 3.44Å; L489-L492 VanDerWaalsContact O-N 3.09Å
490G87.5Confident88.1Confident27 Ų2749.2 Ų49.228%0.27824%0.237SC..THydrogen-bonded Turntrans-57.1-25.3173.200000113.8E488 L492 R493 I552E488-G490 PolarHBondContact O-N 2.92Å; G490-L492 VanDerWaalsContact C-N 3.28Å; G490-L492 PolarHBondContact O-N 2.97Å; G490-R493 WeakPolarHBondContact O-CB 3.23Å; G490-R493 PolarHBondContact O-N 2.8Å; G490-I552 VanDerWaalsContact C-CD1 3.5Å
491F89Confident87.5Confident0 Ų053.3 Ų53.30%026%0.264CS..Hα-helixtrans-65.7-29177.3-171.2-116.7000113P457 L482 E488 L489 R493 F494 L495 L549 I552 Y553P457-F491 HydrophobicContact CG-CE1 4.2Å; P457-F491 HydrophobicContact CG-CZ 3.99Å; L482-F491 HydrophobicContact CD2-CD1 4.43Å; E488-F491 VanDerWaalsContact O-CB 3.25Å; E488-F491 WeakPolarHBondContact O-CB 3.28Å; E488-F491 PolarHBondContact O-N 3.34Å; L489-F491 PolarHBondContact O-N 2.68Å; L489-F491 VanDerWaalsContact O-N 3.14Å; F491-R493 PolarHBondContact O-N 3.39Å; F491-F494 WeakPolarHBondContact O-CB 3.44Å; F491-F494 PolarHBondContact O-N 3.46Å; F491-L495 HydrophobicContact CD1-CD1 3.78Å; F491-L495 HydrophobicContact CD1-CG 4.08Å; F491-L495 HydrophobicContact CE1-CD1 3.72Å; F491-L495 HydrophobicContact CE1-CD2 3.95Å; F491-L495 HydrophobicContact CE1-CG 3.85Å; F491-L495 HydrophobicContact CZ-CD2 4.18Å; F491-L495 HydrophobicContact CZ-CG 4.36Å; F491-L495 PolarHBondContact O-N 3.02Å; F491-L495 VanDerWaalsContact O-N 3.08Å; F491-L549 HydrophobicContact CD2-CD1 3.88Å; F491-L549 HydrophobicContact CE2-CD1 3.92Å; F491-I552 HydrophobicContact CB-CD1 4.34Å; F491-Y553 HydrophobicContact CB-CE2 4.43Å; F491-Y553 WeakPolarHBondContact CB-OH 3.38Å; F491-Y553 AromaticContact CD2-CE2 3.96Å; F491-Y553 HydrophobicContact CD2-CE2 3.96Å; F491-Y553 HydrophobicContact CG-CE2 4.36Å; F491-Y553 WeakPolarHBondContact CG-OH 3.36Å
492L89.3Confident87.1Confident34 Ų3454.7 Ų54.718%0.17827%0.271CS..Hα-helixtrans-60.1-27.3175.4-60.2174.7000112.1Y358 L482 L484 L489 G490 L495 K496 L502Y358-L492 HydrophobicContact CD1-CD1 4.11Å; Y358-L492 HydrophobicContact CD1-CD2 3.88Å; Y358-L492 HydrophobicContact CD2-CD1 4.09Å; Y358-L492 HydrophobicContact CE1-CD1 3.73Å; Y358-L492 HydrophobicContact CE1-CD2 4.24Å; Y358-L492 HydrophobicContact CE2-CD1 3.73Å; Y358-L492 HydrophobicContact CG-CD1 4.28Å; Y358-L492 HydrophobicContact CG-CD2 4.08Å; L482-L492 HydrophobicContact CD2-CD2 4.49Å; L484-L492 HydrophobicContact CD1-CD1 4.32Å; L484-L492 HydrophobicContact CD1-CD2 3.75Å; L484-L492 HydrophobicContact CD1-CG 3.86Å; L489-L492 HydrophobicContact CD2-CD1 3.66Å; L489-L492 WeakPolarHBondContact O-CB 3.13Å; L489-L492 PolarHBondContact O-N 3.44Å; L489-L492 VanDerWaalsContact O-N 3.09Å; G490-L492 VanDerWaalsContact C-N 3.28Å; G490-L492 PolarHBondContact O-N 2.97Å; L492-L495 HydrophobicContact CD2-CD1 4.34Å; L492-L495 PolarHBondContact O-N 3.29Å; L492-K496 WeakPolarHBondContact O-CB 3.35Å; L492-K496 PolarHBondContact O-N 3.13Å; L492-L502 HydrophobicContact CD2-CD2 4.46Å
493R88Confident86.9Confident203 Ų20357.4 Ų57.477%0.76629%0.29SS*.Hα-helixtrans-67.8-37.8175.2-55.2-176.774.2175.33.7111.8G490 F491 Q497G490-R493 WeakPolarHBondContact O-CB 3.23Å; G490-R493 PolarHBondContact O-N 2.8Å; F491-R493 PolarHBondContact O-N 3.39Å; R493-Q497 WeakPolarHBondContact O-CB 3.42Å; R493-Q497 PolarHBondContact O-N 3.04Å
494F86.6Confident86.7Confident73 Ų7362.6 Ų62.632%0.3231%0.314SS..Hα-helixtrans-72.2-38.6176.2-70.9-92.7000111.6P460 F491 Q497 A498 L549 I552P460-F494 HydrophobicContact CG-CB 3.92Å; F491-F494 WeakPolarHBondContact O-CB 3.44Å; F491-F494 PolarHBondContact O-N 3.46Å; F494-Q497 PolarHBondContact O-N 3.16Å; F494-A498 WeakPolarHBondContact O-CB 3.28Å; F494-A498 PolarHBondContact O-N 3.35Å; F494-L549 HydrophobicContact CD1-CD2 4.39Å; F494-L549 HydrophobicContact CD2-CD1 4.48Å; F494-L549 HydrophobicContact CE1-CD2 3.85Å; F494-L549 HydrophobicContact CE2-CD2 4.41Å; F494-L549 HydrophobicContact CG-CD1 4.4Å; F494-L549 HydrophobicContact CZ-CD2 3.87Å; F494-I552 HydrophobicContact CD2-CD1 3.81Å; F494-I552 HydrophobicContact CE2-CD1 3.6Å
495L86.4Confident86.5Confident0 Ų065.4 Ų65.40%033%0.326CS..Hα-helixtrans-63.7-43.8172.8-66.4174000111.7P460 Y463 L482 F491 L492 Q497 A498 V500 L502P460-L495 HydrophobicContact CB-CD2 4.07Å; P460-L495 HydrophobicContact CG-CD2 4.45Å; Y463-L495 HydrophobicContact CD1-CD2 3.92Å; Y463-L495 HydrophobicContact CD2-CD1 4.17Å; Y463-L495 HydrophobicContact CD2-CD2 4.01Å; Y463-L495 HydrophobicContact CE2-CD1 4.24Å; Y463-L495 HydrophobicContact CG-CD2 3.62Å; L482-L495 HydrophobicContact CD2-CD1 3.8Å; F491-L495 HydrophobicContact CD1-CD1 3.78Å; F491-L495 HydrophobicContact CD1-CG 4.08Å; F491-L495 HydrophobicContact CE1-CD1 3.72Å; F491-L495 HydrophobicContact CE1-CD2 3.95Å; F491-L495 HydrophobicContact CE1-CG 3.85Å; F491-L495 HydrophobicContact CZ-CD2 4.18Å; F491-L495 HydrophobicContact CZ-CG 4.36Å; F491-L495 PolarHBondContact O-N 3.02Å; F491-L495 VanDerWaalsContact O-N 3.08Å; L492-L495 HydrophobicContact CD2-CD1 4.34Å; L492-L495 PolarHBondContact O-N 3.29Å; L495-Q497 VanDerWaalsContact C-N 3.35Å; L495-Q497 PolarHBondContact O-N 2.66Å; L495-A498 CarbonylContact O-C 3.58Å; L495-A498 WeakPolarHBondContact O-CA 3.42Å; L495-A498 PolarHBondContact O-N 3.31Å; L495-A498 VanDerWaalsContact O-N 3.09Å; L495-V500 HydrophobicContact CB-CB 4.31Å; L495-V500 WeakPolarHBondContact O-CB 3.26Å; L495-V500 PolarHBondContact O-N 3.46Å; L495-L502 HydrophobicContact CB-CD1 3.85Å; L495-L502 HydrophobicContact CD1-CD1 3.73Å; L495-L502 HydrophobicContact CD1-CD2 4.28Å; L495-L502 HydrophobicContact CG-CD1 4.39Å
496K85.9Confident85.7Confident172 Ų17274.7 Ų74.775%0.74837%0.37SS*.Hα-helixtrans-62.2-39.4174.5-172.9171.1-177.51740112.5L492 A498 K499L492-K496 WeakPolarHBondContact O-CB 3.35Å; L492-K496 PolarHBondContact O-N 3.13Å; K496-A498 VanDerWaalsContact C-N 3.29Å; K496-A498 PolarHBondContact O-N 3.23Å; K496-K499 PolarHBondContact O-N 3.02Å
497Q84.2Confident85Confident162 Ų16274.3 Ų74.376%0.75736%0.362SS*.Hα-helixtrans-65.1-33.2173.5-172.7176.98.800112.2R493 F494 L495 K499R493-Q497 WeakPolarHBondContact O-CB 3.42Å; R493-Q497 PolarHBondContact O-N 3.04Å; F494-Q497 PolarHBondContact O-N 3.16Å; L495-Q497 VanDerWaalsContact C-N 3.35Å; L495-Q497 PolarHBondContact O-N 2.66Å; Q497-K499 PolarHBondContact O-N 2.79Å
498A80.1Confident84.4Confident32 Ų3272.5 Ų72.526%0.26436%0.36SS..THydrogen-bonded Turntrans-81.121.7176.100000114.2A349 P460 F494 L495 K496 V500A349-A498 WeakPolarHBondContact CB-O 3.43Å; P460-A498 HydrophobicContact CB-CB 3.63Å; P460-A498 HydrophobicContact CG-CB 4.38Å; F494-A498 WeakPolarHBondContact O-CB 3.28Å; F494-A498 PolarHBondContact O-N 3.35Å; L495-A498 CarbonylContact O-C 3.58Å; L495-A498 WeakPolarHBondContact O-CA 3.42Å; L495-A498 PolarHBondContact O-N 3.31Å; L495-A498 VanDerWaalsContact O-N 3.09Å; K496-A498 VanDerWaalsContact C-N 3.29Å; K496-A498 PolarHBondContact O-N 3.23Å; A498-V500 VanDerWaalsContact C-N 3.26Å; A498-V500 PolarHBondContact O-N 3.21Å
499K80.9Confident83.9Confident91 Ų9177.3 Ų77.340%0.39638%0.378SS..THydrogen-bonded Turntrans53.636.2-176.8-70.9-169.1172.8-156.60113.9K346 D347 A349 K496 Q497K346-K499 PolarHBondContact O-NZ 3.48Å; D347-K499 WeakPolarHBondContact O-CB 3.25Å; D347-K499 IonicContact OD1-NZ 2.69Å; D347-K499 PolarHBondContact OD1-NZ 3.23Å; A349-K499 HydrophobicContact CB-CB 4.09Å; A349-K499 PolarHBondContact N-O 3.44Å; K496-K499 PolarHBondContact O-N 3.02Å; Q497-K499 PolarHBondContact O-N 2.79Å
500V81.9Confident83Confident4 Ų479.1 Ų79.12%0.02440%0.397CS..  trans-110.1107.9173.3-174.70000110.2A349 Y463 I464 L495 A498 L502A349-V500 HydrophobicContact CB-CG2 4.27Å; Y463-V500 HydrophobicContact CD1-CG1 4.16Å; Y463-V500 HydrophobicContact CE1-CG1 3.64Å; I464-V500 HydrophobicContact CD1-CG2 4.07Å; I464-V500 HydrophobicContact CG1-CG2 3.85Å; L495-V500 HydrophobicContact CB-CB 4.31Å; L495-V500 WeakPolarHBondContact O-CB 3.26Å; L495-V500 PolarHBondContact O-N 3.46Å; A498-V500 VanDerWaalsContact C-N 3.26Å; A498-V500 PolarHBondContact O-N 3.21Å; V500-L502 HydrophobicContact CB-CD1 4.45Å; V500-L502 HydrophobicContact CG1-CD1 3.77Å; V500-L502 HydrophobicContact CG1-CG 4.47Å
501P79.4Confident82.4Confident86 Ų8684.4 Ų84.456%0.55841%0.412SS*.  trans-76.5138.8169.331.4-32.4000110.7
502L85.3Confident81.9Confident39 Ų3985.9 Ų85.920%0.20442%0.42CS..  trans-131.9139.4169-65.593.7000110.1Q356 Y358 Y463 L482 L492 L495 V500Q356-L502 HydrophobicContact CB-CG 4.39Å; Y358-L502 HydrophobicContact CD1-CB 4.05Å; Y463-L502 HydrophobicContact CE2-CD2 4.24Å; Y463-L502 WeakPolarHBondContact OH-CD2 3.42Å; L482-L502 HydrophobicContact CB-CD2 4.37Å; L482-L502 HydrophobicContact CD2-CD2 4.09Å; L492-L502 HydrophobicContact CD2-CD2 4.46Å; L495-L502 HydrophobicContact CB-CD1 3.85Å; L495-L502 HydrophobicContact CD1-CD1 3.73Å; L495-L502 HydrophobicContact CD1-CD2 4.28Å; L495-L502 HydrophobicContact CG-CD1 4.39Å; V500-L502 HydrophobicContact CB-CD1 4.45Å; V500-L502 HydrophobicContact CG1-CD1 3.77Å; V500-L502 HydrophobicContact CG1-CG 4.47Å
503S88.8Confident81.2Confident56 Ų5686.1 Ų86.139%0.39242%0.424SS..EExtended strand (participates in β ladder)trans-86.1158.4166.659.90000111.3Q356 G357 Y358 F505Q356-S503 PolarHBondContact O-N 2.87Å; Q356-S503 PolarHBondContact O-OG 2.93Å; G357-S503 CarbonylContact C-O 3.57Å; G357-S503 WeakPolarHBondContact CA-O 3.22Å; Y358-S503 WeakPolarHBondContact CD1-O 3.37Å; Y358-S503 WeakPolarHBondContact CE1-O 3.46Å; Y358-S503 PolarHBondContact N-O 2.89Å; S503-F505 VanDerWaalsContact OG-CE1 3.29Å; S503-F505 WeakPolarHBondContact OG-CE1 3.33Å
504E89.9Confident80.8Confident111 Ų11182.4 Ų82.452%0.51942%0.419SS..EExtended strand (participates in β ladder)trans-92.2127.9165.3-168.2158.3175.300109.3Y358Y358-E504 HydrophobicContact CD2-CG 4.23Å; Y358-E504 HydrophobicContact CE1-CB 3.87Å; Y358-E504 HydrophobicContact CE1-CG 4.39Å; Y358-E504 HydrophobicContact CE2-CB 4.05Å; Y358-E504 VanDerWaalsContact CE2-CD 3.42Å; Y358-E504 HydrophobicContact CE2-CG 3.67Å; Y358-E504 WeakPolarHBondContact CE2-OE2 3.29Å; Y358-E504 VanDerWaalsContact CZ-OE2 3.23Å; Y358-E504 PolarHBondContact OH-OE2 3.25Å
505F86.4Confident80.6Confident58 Ų5879.7 Ų79.725%0.25441%0.408SS..  trans-93.4109.4176.9-67.2-34.9000110G357 Y358 V359 W450 L481 S503 F507G357-F505 VanDerWaalsContact CA-CE2 3.45Å; Y358-F505 PolarHBondContact O-N 3.17Å; V359-F505 HydrophobicContact CG2-CB 3.95Å; W450-F505 HydrophobicContact CZ3-CE2 4.44Å; L481-F505 HydrophobicContact CD1-CD2 4.09Å; S503-F505 VanDerWaalsContact OG-CE1 3.29Å; S503-F505 WeakPolarHBondContact OG-CE1 3.33Å; F505-F507 PolarHBondContact O-N 3.14Å
506E75.3Confident80.6Confident198 Ų19881.1 Ų81.193%0.92542%0.415SS*.  trans-62103.6176.7-69.1-164.7165.400111.9
507F72.9Confident80.7Confident52 Ų5275.7 Ų75.723%0.22840%0.399CS..  trans-95.2109.9179.5-158.1-76.7000112V359 L369 T372 F505 W509 I512V359-F507 HydrophobicContact CG1-CB 4.06Å; V359-F507 HydrophobicContact CG2-CB 4.42Å; L369-F507 HydrophobicContact CD1-CD1 3.71Å; L369-F507 HydrophobicContact CD1-CD2 3.69Å; L369-F507 HydrophobicContact CD1-CE1 3.71Å; L369-F507 HydrophobicContact CD1-CE2 3.64Å; L369-F507 HydrophobicContact CD1-CG 3.71Å; L369-F507 HydrophobicContact CD1-CZ 3.65Å; T372-F507 HydrophobicContact CG2-CZ 4.4Å; F505-F507 PolarHBondContact O-N 3.14Å; F507-W509 PolarHBondContact O-N 3.08Å; F507-I512 HydrophobicContact CD1-CD1 4.4Å; F507-I512 HydrophobicContact CD1-CG1 4.37Å; F507-I512 HydrophobicContact CE1-CD1 3.96Å; F507-I512 HydrophobicContact CE1-CG1 3.57Å; F507-I512 HydrophobicContact CZ-CG1 4.36Å
508S76.8Confident80.8Confident57 Ų5774.2 Ų74.240%0.39939%0.392SS..  trans-71101.3176.3-166.80000111.6S510 K511S508-S510 PolarHBondContact O-N 3.18Å; S508-S510 VanDerWaalsContact O-N 3.12Å; S508-S510 PolarHBondContact OG-OG 3.42Å; S508-K511 WeakPolarHBondContact O-CB 3.37Å; S508-K511 PolarHBondContact O-N 2.81Å
509W77Confident81.2Confident102 Ų10272.9 Ų72.939%0.38638%0.38SS..G310 helixtrans-55-26.9-178.1-67.395.8000114.7C361 K365 F507 K511 I512C361-W509 HydrophobicContact CB-CH2 4.29Å; K365-W509 HydrophobicContact CB-CH2 4.35Å; K365-W509 HydrophobicContact CB-CZ3 3.73Å; K365-W509 HydrophobicContact CD-CE3 3.82Å; K365-W509 HydrophobicContact CD-CH2 4.46Å; K365-W509 HydrophobicContact CD-CZ3 3.62Å; K365-W509 HydrophobicContact CG-CZ3 4.3Å; F507-W509 PolarHBondContact O-N 3.08Å; W509-K511 PolarHBondContact O-N 2.99Å; W509-I512 HydrophobicContact CD2-CD1 4.45Å; W509-I512 HydrophobicContact CE3-CD1 3.42Å; W509-I512 VanDerWaalsContact CE3-CD1 3.42Å; W509-I512 HydrophobicContact CZ3-CD1 3.54Å; W509-I512 PolarHBondContact O-N 3.27Å
510S71.9Confident81.6Confident105 Ų10570.7 Ų70.773%0.73437%0.371SS*.G310 helixtrans-64.9-16.9174.759.80000113.9S508S508-S510 PolarHBondContact O-N 3.18Å; S508-S510 VanDerWaalsContact O-N 3.12Å; S508-S510 PolarHBondContact OG-OG 3.42Å
511K74.8Confident82Confident138 Ų13876.2 Ų76.260%0.640%0.395SS*.G310 helixtrans-97.715.2-179.5-56.6-178.7-176.5174.40113.2T372 K376 S508 W509T372-K511 VanDerWaalsContact CG2-O 3.28Å; T372-K511 WeakPolarHBondContact CG2-O 3.46Å; K376-K511 PolarHBondContact NZ-O 3.03Å; S508-K511 WeakPolarHBondContact O-CB 3.37Å; S508-K511 PolarHBondContact O-N 2.81Å; W509-K511 PolarHBondContact O-N 2.99Å
512I77.7Confident82.5Confident31 Ų3174.6 Ų74.616%0.15938%0.381CS..SBendtrans-88.1138.5172.2-64.1-166.1000110L368 L369 F507 W509 D514L368-I512 HydrophobicContact CB-CG2 3.66Å; L368-I512 HydrophobicContact CD2-CG2 4.38Å; L369-I512 HydrophobicContact CB-CD1 4.49Å; L369-I512 HydrophobicContact CD1-CD1 4.21Å; F507-I512 HydrophobicContact CD1-CD1 4.4Å; F507-I512 HydrophobicContact CD1-CG1 4.37Å; F507-I512 HydrophobicContact CE1-CD1 3.96Å; F507-I512 HydrophobicContact CE1-CG1 3.57Å; F507-I512 HydrophobicContact CZ-CG1 4.36Å; W509-I512 HydrophobicContact CD2-CD1 4.45Å; W509-I512 HydrophobicContact CE3-CD1 3.42Å; W509-I512 VanDerWaalsContact CE3-CD1 3.42Å; W509-I512 HydrophobicContact CZ3-CD1 3.54Å; W509-I512 PolarHBondContact O-N 3.27Å; I512-D514 PolarHBondContact O-N 3.2Å
513S75.6Confident82.8Confident39 Ų3972.8 Ų72.827%0.27337%0.372SS..  trans-75.2112.2168.4-60.40000109.3T372 I515T372-S513 PolarHBondContact OG1-N 3.25Å; T372-S513 VanDerWaalsContact OG1-N 3.11Å; S513-I515 PolarHBondContact O-N 3.43Å; S513-I515 VanDerWaalsContact O-N 3.1Å
514D79Confident82.9Confident125 Ų12577.3 Ų77.367%0.66839%0.387SS*.  trans-69107.6169.1-174.95.8000109.6I512 Q516I512-D514 PolarHBondContact O-N 3.2Å; D514-Q516 PolarHBondContact OD1-N 3.09Å; D514-Q516 VanDerWaalsContact OD1-N 3.09Å
515I83.1Confident82.9Confident15 Ų1580.2 Ų80.28%0.07740%0.397CS..  trans-122.67.2178.758.8163.6000111.4F367 L368 F371 S513 S517 Q518 L519F367-I515 HydrophobicContact CD1-CD1 4.16Å; F367-I515 HydrophobicContact CE1-CD1 3.68Å; L368-I515 HydrophobicContact CD2-CG1 4.12Å; L368-I515 HydrophobicContact CG-CG1 4.05Å; F371-I515 HydrophobicContact CB-CD1 4.07Å; F371-I515 HydrophobicContact CD1-CD1 3.59Å; F371-I515 HydrophobicContact CD1-CG1 4.47Å; F371-I515 HydrophobicContact CD1-CG2 4.48Å; F371-I515 HydrophobicContact CD2-CD1 4.3Å; F371-I515 HydrophobicContact CE1-CD1 4.04Å; F371-I515 HydrophobicContact CE1-CG2 4.11Å; F371-I515 HydrophobicContact CG-CD1 3.72Å; S513-I515 PolarHBondContact O-N 3.43Å; S513-I515 VanDerWaalsContact O-N 3.1Å; I515-S517 PolarHBondContact O-N 2.85Å; I515-Q518 WeakPolarHBondContact O-CA 3.46Å; I515-Q518 WeakPolarHBondContact O-CB 3.4Å; I515-Q518 PolarHBondContact O-N 3.14Å; I515-L519 WeakPolarHBondContact O-CB 3.4Å; I515-L519 PolarHBondContact O-N 3.01Å
516Q86.3Confident83.2Confident31 Ų3178.7 Ų78.715%0.14539%0.392CS..Hα-helixtrans-61.1-48.4-169.6-176.561.72000111.2L368 D514 Q518 L519 E520 L565L368-Q516 HydrophobicContact CD2-CB 4.36Å; D514-Q516 PolarHBondContact OD1-N 3.09Å; D514-Q516 VanDerWaalsContact OD1-N 3.09Å; Q516-Q518 PolarHBondContact O-N 3.17Å; Q516-L519 WeakPolarHBondContact O-CB 3.44Å; Q516-L519 PolarHBondContact O-N 3.21Å; Q516-E520 WeakPolarHBondContact CG-OE1 3.15Å; Q516-E520 PolarHBondContact NE2-OE1 3.08Å; Q516-E520 WeakPolarHBondContact O-CG 3.25Å; Q516-E520 PolarHBondContact O-N 3.09Å; Q516-L565 PolarHBondContact NE2-O 3.33Å
517S87Confident84Confident58 Ų5876.9 Ų76.941%0.40638%0.378SS..Hα-helixtrans-68.9-12.6177.671.70000114.4I515 K521I515-S517 PolarHBondContact O-N 2.85Å; S517-K521 WeakPolarHBondContact O-CD 3.48Å; S517-K521 WeakPolarHBondContact O-CE 3.38Å; S517-K521 VanDerWaalsContact O-CG 3.23Å; S517-K521 WeakPolarHBondContact O-CG 3.19Å
518Q87.2Confident84.9Confident131 Ų13182.9 Ų82.961%0.61240%0.4SS*.Hα-helixtrans-88.5-42.9171.7-62.6-178-16.200110.7I515 Q516 K521 L522I515-Q518 WeakPolarHBondContact O-CA 3.46Å; I515-Q518 WeakPolarHBondContact O-CB 3.4Å; I515-Q518 PolarHBondContact O-N 3.14Å; Q516-Q518 PolarHBondContact O-N 3.17Å; Q518-K521 PolarHBondContact O-N 3Å; Q518-L522 VanDerWaalsContact O-CB 3.28Å; Q518-L522 WeakPolarHBondContact O-CB 3.09Å; Q518-L522 PolarHBondContact O-N 2.9Å
519L87.4Confident85.6Confident4 Ų480.2 Ų80.22%0.02138%0.382CS..Hα-helixtrans-57.9-50.3175.9176.964.8000111.5F367 L398 I515 Q516 L522 I523F367-L519 HydrophobicContact CD1-CD1 4.49Å; F367-L519 HydrophobicContact CD1-CD2 3.77Å; F367-L519 HydrophobicContact CE1-CD1 4.16Å; F367-L519 HydrophobicContact CE1-CD2 4.21Å; L398-L519 HydrophobicContact CD1-CD1 3.64Å; L398-L519 HydrophobicContact CD2-CD1 3.71Å; L398-L519 HydrophobicContact CG-CD1 4.3Å; I515-L519 WeakPolarHBondContact O-CB 3.4Å; I515-L519 PolarHBondContact O-N 3.01Å; Q516-L519 WeakPolarHBondContact O-CB 3.44Å; Q516-L519 PolarHBondContact O-N 3.21Å; L519-L522 PolarHBondContact O-N 3.4Å; L519-I523 HydrophobicContact CD1-CD1 3.52Å; L519-I523 HydrophobicContact CD1-CG1 4.34Å; L519-I523 HydrophobicContact CG-CD1 4.05Å; L519-I523 WeakPolarHBondContact O-CB 3.37Å; L519-I523 WeakPolarHBondContact O-CG1 3.49Å; L519-I523 PolarHBondContact O-N 3.2Å
520E90Very high86.4Confident45 Ų4578.6 Ų78.621%0.2138%0.378CS..Hα-helixtrans-58.8-50.5178.1-70.6166.6174.900111.2Q516 L522 I523 E524 T570Q516-E520 WeakPolarHBondContact CG-OE1 3.15Å; Q516-E520 PolarHBondContact NE2-OE1 3.08Å; Q516-E520 WeakPolarHBondContact O-CG 3.25Å; Q516-E520 PolarHBondContact O-N 3.09Å; E520-L522 VanDerWaalsContact C-N 3.3Å; E520-L522 PolarHBondContact O-N 2.8Å; E520-I523 PolarHBondContact O-N 2.83Å; E520-E524 VanDerWaalsContact O-CB 3.32Å; E520-E524 WeakPolarHBondContact O-CB 3.22Å; E520-E524 PolarHBondContact O-N 3.42Å; E520-T570 HydrophobicContact CG-CG2 4.44Å
521K90.3Very high87.4Confident119 Ų11978.6 Ų78.652%0.51737%0.365SS..Hα-helixtrans-65.3-30.3179-69.2173.2-1661600113.4S517 Q518 K525S517-K521 WeakPolarHBondContact O-CD 3.48Å; S517-K521 WeakPolarHBondContact O-CE 3.38Å; S517-K521 VanDerWaalsContact O-CG 3.23Å; S517-K521 WeakPolarHBondContact O-CG 3.19Å; Q518-K521 PolarHBondContact O-N 3Å; K521-K525 WeakPolarHBondContact O-CB 3.5Å; K521-K525 WeakPolarHBondContact O-CD 3.45Å; K521-K525 WeakPolarHBondContact O-CG 3.25Å; K521-K525 PolarHBondContact O-N 2.78Å
522L90Very high88.3Confident53 Ų5372 Ų7228%0.27734%0.337SS..Hα-helixtrans-71.8-42175.7-18064.2000110.9L398 I402 Q518 L519 E520 N526 L529L398-L522 HydrophobicContact CD1-CD2 4.03Å; I402-L522 HydrophobicContact CG1-CD2 4.23Å; Q518-L522 VanDerWaalsContact O-CB 3.28Å; Q518-L522 WeakPolarHBondContact O-CB 3.09Å; Q518-L522 PolarHBondContact O-N 2.9Å; L519-L522 PolarHBondContact O-N 3.4Å; E520-L522 VanDerWaalsContact C-N 3.3Å; E520-L522 PolarHBondContact O-N 2.8Å; L522-N526 VanDerWaalsContact O-CB 3.29Å; L522-N526 WeakPolarHBondContact O-CB 3.43Å; L522-N526 PolarHBondContact O-N 3.2Å; L522-L529 HydrophobicContact CD2-CD2 3.99Å; L522-L529 HydrophobicContact CG-CD2 3.82Å
523I91Very high89Confident1 Ų170.6 Ų70.61%0.00533%0.329CS..Hα-helixtrans-76-35.5-178.6-72.7175.9000111.6F394 L519 E520 L529 H530 A533 F567 F569F394-I523 HydrophobicContact CE2-CD1 3.88Å; F394-I523 HydrophobicContact CZ-CD1 3.77Å; L519-I523 HydrophobicContact CD1-CD1 3.52Å; L519-I523 HydrophobicContact CD1-CG1 4.34Å; L519-I523 HydrophobicContact CG-CD1 4.05Å; L519-I523 WeakPolarHBondContact O-CB 3.37Å; L519-I523 WeakPolarHBondContact O-CG1 3.49Å; L519-I523 PolarHBondContact O-N 3.2Å; E520-I523 PolarHBondContact O-N 2.83Å; I523-L529 HydrophobicContact CG1-CD2 3.82Å; I523-L529 HydrophobicContact CG1-CG 4.07Å; I523-H530 VanDerWaalsContact O-CB 3.31Å; I523-H530 WeakPolarHBondContact O-CB 3.46Å; I523-A533 HydrophobicContact CD1-CB 4.45Å; I523-A533 HydrophobicContact CG2-CB 4.28Å; I523-F567 WeakPolarHBondContact CD1-O 3.41Å; I523-F569 HydrophobicContact CG2-CE1 4.38Å
524E91Very high89.9Confident150 Ų15071.7 Ų71.770%0.70133%0.33SS*.Hα-helixtrans-62.1-43171.4-177.2179.7-140.700112E520E520-E524 VanDerWaalsContact O-CB 3.32Å; E520-E524 WeakPolarHBondContact O-CB 3.22Å; E520-E524 PolarHBondContact O-N 3.42Å
525K91.1Very high90.6Very high172 Ų17269.1 Ų69.175%0.74831%0.314SS*.Hα-helixtrans-80.8-33.6-176-70.3178-179.2-172.70114.4K521K521-K525 WeakPolarHBondContact O-CB 3.5Å; K521-K525 WeakPolarHBondContact O-CD 3.45Å; K521-K525 WeakPolarHBondContact O-CG 3.25Å; K521-K525 PolarHBondContact O-N 2.78Å
526N92.6Very high91.1Very high27 Ų2768.4 Ų68.414%0.14431%0.31CS..  trans-96.398.3-175-175.8-24.7000111.4Y401 L522 Y528 L529 H530Y401-N526 WeakPolarHBondContact CE2-ND2 3.46Å; Y401-N526 PolarHBondContact OH-ND2 3.03Å; Y401-N526 VanDerWaalsContact OH-ND2 3.11Å; L522-N526 VanDerWaalsContact O-CB 3.29Å; L522-N526 WeakPolarHBondContact O-CB 3.43Å; L522-N526 PolarHBondContact O-N 3.2Å; N526-Y528 VanDerWaalsContact C-N 3.29Å; N526-Y528 PolarHBondContact O-N 2.7Å; N526-Y528 PolarHBondContact OD1-N 2.94Å; N526-Y528 VanDerWaalsContact OD1-N 3.14Å; N526-L529 HydrophobicContact CB-CB 3.89Å; N526-L529 PolarHBondContact O-N 3.44Å; N526-L529 VanDerWaalsContact O-N 3.08Å; N526-L529 PolarHBondContact OD1-N 2.84Å; N526-H530 WeakPolarHBondContact O-CB 3.23Å; N526-H530 PolarHBondContact O-N 3.28Å
527Y91.1Very high91.4Very high160 Ų16067 Ų6763%0.62730%0.304SS*.Hα-helixtrans-49.6-41.5179.7176.9-93.4000114.7K531Y527-K531 WeakPolarHBondContact O-CB 3.39Å; Y527-K531 PolarHBondContact O-N 2.92Å
528Y91.8Very high91.7Very high178 Ų17867.3 Ų67.370%0.69830%0.298SS*.Hα-helixtrans-69.2-43.5-179.7-65.7-72.9000111.3N526 K531 S532N526-Y528 VanDerWaalsContact C-N 3.29Å; N526-Y528 PolarHBondContact O-N 2.7Å; N526-Y528 PolarHBondContact OD1-N 2.94Å; N526-Y528 VanDerWaalsContact OD1-N 3.14Å; Y528-K531 PolarHBondContact O-N 2.79Å; Y528-S532 WeakPolarHBondContact O-CB 3.48Å; Y528-S532 PolarHBondContact O-N 2.77Å
529L91.8Very high91.9Very high1 Ų162.1 Ų62.11%0.00528%0.276CS..Hα-helixtrans-67.9-41.1177.6-167.166.2000111.3F394 E397 L398 Y401 L522 I523 N526 K531 S532 A533F394-L529 HydrophobicContact CD2-CD1 4.13Å; F394-L529 HydrophobicContact CE2-CD1 4.11Å; F394-L529 HydrophobicContact CE2-CG 4.38Å; E397-L529 HydrophobicContact CB-CD1 4.14Å; L398-L529 HydrophobicContact CB-CD1 4.13Å; L398-L529 HydrophobicContact CD1-CD2 3.96Å; Y401-L529 HydrophobicContact CD2-CD1 4.18Å; Y401-L529 HydrophobicContact CD2-CD2 4.34Å; Y401-L529 HydrophobicContact CE2-CD1 4.5Å; L522-L529 HydrophobicContact CD2-CD2 3.99Å; L522-L529 HydrophobicContact CG-CD2 3.82Å; I523-L529 HydrophobicContact CG1-CD2 3.82Å; I523-L529 HydrophobicContact CG1-CG 4.07Å; N526-L529 HydrophobicContact CB-CB 3.89Å; N526-L529 PolarHBondContact O-N 3.44Å; N526-L529 VanDerWaalsContact O-N 3.08Å; N526-L529 PolarHBondContact OD1-N 2.84Å; L529-K531 PolarHBondContact O-N 3Å; L529-S532 PolarHBondContact O-N 3.21Å; L529-A533 WeakPolarHBondContact O-CB 3.45Å; L529-A533 PolarHBondContact O-N 3.18Å
530H93Very high92.1Very high68 Ų6862.3 Ų62.332%0.31528%0.276SS..Hα-helixtrans-53.2-50.6171.4-174.5-90.3000112I523 N526 S532 A533 Q534 F569I523-H530 VanDerWaalsContact O-CB 3.31Å; I523-H530 WeakPolarHBondContact O-CB 3.46Å; N526-H530 WeakPolarHBondContact O-CB 3.23Å; N526-H530 PolarHBondContact O-N 3.28Å; H530-S532 PolarHBondContact O-N 2.92Å; H530-A533 PolarHBondContact O-N 3.02Å; H530-Q534 WeakPolarHBondContact O-CB 3.44Å; H530-Q534 PolarHBondContact O-N 3.04Å; H530-F569 AromaticContact CD2-CE1 3.81Å; H530-F569 AromaticContact NE2-CE1 3.64Å
531K93.3Very high92.2Very high104 Ų10460.1 Ų60.145%0.45227%0.266SS..Hα-helixtrans-63.8-42.1178-174.3174.4179177.30111.6Y527 Y528 L529 Q534 E535Y527-K531 WeakPolarHBondContact O-CB 3.39Å; Y527-K531 PolarHBondContact O-N 2.92Å; Y528-K531 PolarHBondContact O-N 2.79Å; L529-K531 PolarHBondContact O-N 3Å; K531-Q534 PolarHBondContact O-N 3.19Å; K531-E535 VanDerWaalsContact CE-OE1 3.31Å; K531-E535 WeakPolarHBondContact CE-OE1 3.43Å; K531-E535 WeakPolarHBondContact O-CG 3.33Å; K531-E535 PolarHBondContact O-N 3.37Å
532S93.8Very high92.1Very high1 Ų160.6 Ų60.61%0.00727%0.265CS..Hα-helixtrans-65.2-42.7178.2-147.90000112.3K393 E397 Y528 L529 H530 Q534 E535 A536K393-S532 WeakPolarHBondContact CE-OG 3.43Å; K393-S532 PolarHBondContact NZ-OG 3.37Å; E397-S532 WeakPolarHBondContact OE2-CB 3.47Å; E397-S532 PolarHBondContact OE2-OG 3.14Å; Y528-S532 WeakPolarHBondContact O-CB 3.48Å; Y528-S532 PolarHBondContact O-N 2.77Å; L529-S532 PolarHBondContact O-N 3.21Å; H530-S532 PolarHBondContact O-N 2.92Å; S532-Q534 VanDerWaalsContact C-N 3.32Å; S532-Q534 PolarHBondContact O-N 3.34Å; S532-E535 PolarHBondContact O-N 3.29Å; S532-A536 VanDerWaalsContact O-CB 3.23Å; S532-A536 WeakPolarHBondContact O-CB 3.34Å; S532-A536 PolarHBondContact O-N 2.94Å
533A93.8Very high92Very high0 Ų058.9 Ų58.90%026%0.258CS..Hα-helixtrans-58.6-43.1172.400000111.3F394 I523 L529 H530 A536 Y537 F569F394-A533 HydrophobicContact CD2-CB 3.8Å; F394-A533 HydrophobicContact CE2-CB 3.43Å; F394-A533 VanDerWaalsContact CE2-CB 3.43Å; F394-A533 HydrophobicContact CZ-CB 3.84Å; I523-A533 HydrophobicContact CD1-CB 4.45Å; I523-A533 HydrophobicContact CG2-CB 4.28Å; L529-A533 WeakPolarHBondContact O-CB 3.45Å; L529-A533 PolarHBondContact O-N 3.18Å; H530-A533 PolarHBondContact O-N 3.02Å; A533-A536 PolarHBondContact O-N 3.12Å; A533-Y537 WeakPolarHBondContact O-CB 3.23Å; A533-Y537 PolarHBondContact O-N 2.92Å; A533-F569 HydrophobicContact CB-CE2 3.62Å; A533-F569 HydrophobicContact CB-CZ 3.66Å
534Q93.4Very high91.9Very high62 Ų6259.2 Ų59.229%0.2926%0.259SS..Hα-helixtrans-67.4-42.2-179.9-155.5-161.17500112H530 K531 S532 A536 K538 F569 P573H530-Q534 WeakPolarHBondContact O-CB 3.44Å; H530-Q534 PolarHBondContact O-N 3.04Å; K531-Q534 PolarHBondContact O-N 3.19Å; S532-Q534 VanDerWaalsContact C-N 3.32Å; S532-Q534 PolarHBondContact O-N 3.34Å; Q534-A536 VanDerWaalsContact C-N 3.35Å; Q534-K538 HydrophobicContact CG-CD 4.41Å; Q534-K538 WeakPolarHBondContact O-CB 3.42Å; Q534-K538 WeakPolarHBondContact O-CD 3.47Å; Q534-K538 VanDerWaalsContact O-CG 3.24Å; Q534-K538 WeakPolarHBondContact O-CG 3.45Å; Q534-K538 PolarHBondContact O-N 3.22Å; Q534-K538 VanDerWaalsContact O-N 3.12Å; Q534-F569 HydrophobicContact CB-CE2 4.45Å; Q534-F569 HydrophobicContact CB-CZ 3.88Å; Q534-F569 HydrophobicContact CG-CZ 4.34Å; Q534-P573 HydrophobicContact CG-CB 3.68Å; Q534-P573 HydrophobicContact CG-CG 3.89Å
535E93.2Very high91.7Very high72 Ų7254.8 Ų54.834%0.33624%0.241SC..Hα-helixtrans-62.3-41.8172.7-74.1171.6-171.200111.3K393 K531 S532 S539K393-E535 IonicContact NZ-OE2 2.69Å; K393-E535 PolarHBondContact NZ-OE2 2.95Å; K531-E535 VanDerWaalsContact CE-OE1 3.31Å; K531-E535 WeakPolarHBondContact CE-OE1 3.43Å; K531-E535 WeakPolarHBondContact O-CG 3.33Å; K531-E535 PolarHBondContact O-N 3.37Å; S532-E535 PolarHBondContact O-N 3.29Å; E535-S539 WeakPolarHBondContact O-CB 3.43Å; E535-S539 PolarHBondContact O-N 2.84Å; E535-S539 PolarHBondContact O-OG 2.69Å
536A93.9Very high91.4Very high0 Ų050.6 Ų50.60%023%0.233CC..Hα-helixtrans-66.3-52.5179.400000112.3M390 F394 S532 A533 Q534 K538 S539 Y540 F567M390-A536 WeakPolarHBondContact O-CB 3.45Å; F394-A536 HydrophobicContact CB-CB 3.47Å; F394-A536 VanDerWaalsContact CB-CB 3.47Å; F394-A536 HydrophobicContact CD1-CB 3.98Å; F394-A536 HydrophobicContact CG-CB 3.92Å; S532-A536 VanDerWaalsContact O-CB 3.23Å; S532-A536 WeakPolarHBondContact O-CB 3.34Å; S532-A536 PolarHBondContact O-N 2.94Å; A533-A536 PolarHBondContact O-N 3.12Å; Q534-A536 VanDerWaalsContact C-N 3.35Å; A536-K538 PolarHBondContact O-N 2.78Å; A536-S539 CarbonylContact O-C 3.55Å; A536-S539 WeakPolarHBondContact O-CA 3.49Å; A536-S539 WeakPolarHBondContact O-CB 3.46Å; A536-S539 PolarHBondContact O-N 3.33Å; A536-S539 PolarHBondContact O-OG 2.99Å; A536-Y540 PolarHBondContact O-N 3.38Å; A536-F567 HydrophobicContact CB-CD1 4.07Å; A536-F567 HydrophobicContact CB-CE1 3.69Å
537Y93.7Very high91Very high1 Ų149.7 Ų49.70%0.00423%0.228CC..Hα-helixtrans-54.9-50.5175.6170.1-95.8000111.7A533 S539 Y540 V541 V563 A564 F567 P573 V575A533-Y537 WeakPolarHBondContact O-CB 3.23Å; A533-Y537 PolarHBondContact O-N 2.92Å; Y537-S539 PolarHBondContact O-N 3.44Å; Y537-Y540 PolarHBondContact O-N 3.02Å; Y537-Y540 VanDerWaalsContact O-N 3.14Å; Y537-V541 HydrophobicContact CD2-CG2 4.39Å; Y537-V541 HydrophobicContact CE1-CG2 4.43Å; Y537-V541 HydrophobicContact CE2-CG2 4.05Å; Y537-V541 WeakPolarHBondContact O-CG2 3.48Å; Y537-V541 PolarHBondContact O-N 3.24Å; Y537-V563 HydrophobicContact CD2-CG1 3.99Å; Y537-V563 HydrophobicContact CE2-CB 4.18Å; Y537-V563 HydrophobicContact CE2-CG1 3.78Å; Y537-A564 HydrophobicContact CE2-CB 3.92Å; Y537-F567 AromaticContact CD2-CD2 3.81Å; Y537-F567 HydrophobicContact CD2-CD2 3.81Å; Y537-F567 HydrophobicContact CD2-CE2 4.27Å; Y537-F567 HydrophobicContact CD2-CG 4.31Å; Y537-F567 HydrophobicContact CG-CD2 4.44Å; Y537-P573 HydrophobicContact CD1-CB 3.94Å; Y537-P573 HydrophobicContact CD1-CG 3.89Å; Y537-P573 HydrophobicContact CE1-CB 4.05Å; Y537-P573 HydrophobicContact CE1-CG 4.17Å; Y537-P573 WeakPolarHBondContact CE1-O 3.45Å; Y537-V575 HydrophobicContact CD1-CG2 4Å; Y537-V575 HydrophobicContact CE1-CG2 3.41Å; Y537-V575 VanDerWaalsContact CE1-CG2 3.41Å
538K92.3Very high90.5Very high65 Ų6546.4 Ų46.428%0.28323%0.228SC..Hα-helixtrans-56.6-37.4175.1-76.3168.2173.9174.20112.3Q534 A536 R542 Y574 V575Q534-K538 HydrophobicContact CG-CD 4.41Å; Q534-K538 WeakPolarHBondContact O-CB 3.42Å; Q534-K538 WeakPolarHBondContact O-CD 3.47Å; Q534-K538 VanDerWaalsContact O-CG 3.24Å; Q534-K538 WeakPolarHBondContact O-CG 3.45Å; Q534-K538 PolarHBondContact O-N 3.22Å; Q534-K538 VanDerWaalsContact O-N 3.12Å; A536-K538 PolarHBondContact O-N 2.78Å; K538-R542 WeakPolarHBondContact O-CB 3.34Å; K538-R542 WeakPolarHBondContact O-CD 3.31Å; K538-R542 VanDerWaalsContact O-CG 3.25Å; K538-R542 WeakPolarHBondContact O-CG 3.32Å; K538-R542 PolarHBondContact O-N 2.96Å; K538-Y574 WeakPolarHBondContact CE-O 3.31Å; K538-V575 HydrophobicContact CG-CG2 4.18Å
539S91.9Very high90.1Very high21 Ų2139.9 Ų39.915%0.14721%0.205CC..Hα-helixtrans-75.7-33.8178.280.80000113.6S388 E535 A536 Y537 R542 A543S388-S539 WeakPolarHBondContact CB-OG 3.22Å; S388-S539 VanDerWaalsContact OG-CB 3.26Å; S388-S539 WeakPolarHBondContact OG-CB 3.35Å; S388-S539 PolarHBondContact OG-OG 3.29Å; E535-S539 WeakPolarHBondContact O-CB 3.43Å; E535-S539 PolarHBondContact O-N 2.84Å; E535-S539 PolarHBondContact O-OG 2.69Å; A536-S539 CarbonylContact O-C 3.55Å; A536-S539 WeakPolarHBondContact O-CA 3.49Å; A536-S539 WeakPolarHBondContact O-CB 3.46Å; A536-S539 PolarHBondContact O-N 3.33Å; A536-S539 PolarHBondContact O-OG 2.99Å; Y537-S539 PolarHBondContact O-N 3.44Å; S539-R542 PolarHBondContact O-N 2.82Å; S539-A543 WeakPolarHBondContact O-CB 3.49Å; S539-A543 PolarHBondContact O-N 3.27Å
540Y91.9Very high89.7Confident8 Ų844.1 Ų44.13%0.03122%0.223CC..Hα-helixtrans-67.6-49.5178.1170-107.5000110.8R366 D455 A536 Y537 R542 A543 Y544 V563 F567R366-Y540 PolarHBondContact NH1-OH 3.03Å; D455-Y540 WeakPolarHBondContact OD1-CE2 3.18Å; A536-Y540 PolarHBondContact O-N 3.38Å; Y537-Y540 PolarHBondContact O-N 3.02Å; Y537-Y540 VanDerWaalsContact O-N 3.14Å; Y540-R542 PolarHBondContact O-N 3.14Å; Y540-A543 PolarHBondContact O-N 3.48Å; Y540-A543 VanDerWaalsContact O-N 3.12Å; Y540-Y544 PolarHBondContact O-N 3.45Å; Y540-V563 HydrophobicContact CD1-CG1 3.7Å; Y540-V563 HydrophobicContact CE1-CG1 3.64Å; Y540-V563 HydrophobicContact CE1-CG2 4.49Å; Y540-F567 HydrophobicContact CD1-CE2 4Å; Y540-F567 HydrophobicContact CD1-CZ 4.34Å; Y540-F567 HydrophobicContact CG-CE2 4.24Å; Y540-F567 HydrophobicContact CG-CZ 4.1Å
541V91Very high89.1Confident0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-62.2-34177.4-174.40000111Y537 Y544 D545 V555 L558 L560 V575 L577Y537-V541 HydrophobicContact CD2-CG2 4.39Å; Y537-V541 HydrophobicContact CE1-CG2 4.43Å; Y537-V541 HydrophobicContact CE2-CG2 4.05Å; Y537-V541 WeakPolarHBondContact O-CG2 3.48Å; Y537-V541 PolarHBondContact O-N 3.24Å; V541-Y544 WeakPolarHBondContact O-CB 3.47Å; V541-D545 PolarHBondContact O-N 2.82Å; V541-V555 HydrophobicContact CG1-CG1 4.28Å; V541-L558 HydrophobicContact CG1-CD2 4.05Å; V541-L558 HydrophobicContact CG2-CD2 4.3Å; V541-L560 HydrophobicContact CG1-CD2 3.78Å; V541-L560 HydrophobicContact CG2-CD2 3.97Å; V541-V575 HydrophobicContact CB-CG1 4.41Å; V541-V575 HydrophobicContact CB-CG2 4.46Å; V541-V575 HydrophobicContact CG1-CG1 4.5Å; V541-V575 HydrophobicContact CG2-CG2 4.48Å; V541-L577 HydrophobicContact CG1-CD1 3.97Å; V541-L577 HydrophobicContact CG1-CD2 3.91Å; V541-L577 HydrophobicContact CG1-CG 4.46Å
542R89.6Confident88.7Confident129 Ų12946.1 Ų46.149%0.48724%0.235SC..Hα-helixtrans-72.3-35.3173.3-76.3174.8172.2-175.2-6.3114.1K538 S539 Y540 Y544 D545 S546 V575 D576K538-R542 WeakPolarHBondContact O-CB 3.34Å; K538-R542 WeakPolarHBondContact O-CD 3.31Å; K538-R542 VanDerWaalsContact O-CG 3.25Å; K538-R542 WeakPolarHBondContact O-CG 3.32Å; K538-R542 PolarHBondContact O-N 2.96Å; S539-R542 PolarHBondContact O-N 2.82Å; Y540-R542 PolarHBondContact O-N 3.14Å; R542-Y544 VanDerWaalsContact C-N 3.32Å; R542-D545 CarbonylContact O-C 3.49Å; R542-D545 PolarHBondContact O-N 3.49Å; R542-S546 PolarHBondContact O-N 3.31Å; R542-S546 PolarHBondContact O-OG 2.85Å; R542-V575 HydrophobicContact CG-CG1 4.32Å; R542-D576 PolarHBondContact NE-O 3.32Å; R542-D576 PolarHBondContact NH2-O 3.14Å; R542-D576 VanDerWaalsContact NH2-O 3.14Å
543A87.6Confident88.1Confident17 Ų1746 Ų4614%0.1423%0.234CC..Hα-helixtrans-63.6-42.8172.300000110.5S539 Y540 D545 S546 H547S539-A543 WeakPolarHBondContact O-CB 3.49Å; S539-A543 PolarHBondContact O-N 3.27Å; Y540-A543 PolarHBondContact O-N 3.48Å; Y540-A543 VanDerWaalsContact O-N 3.12Å; A543-D545 VanDerWaalsContact C-N 3.28Å; A543-D545 PolarHBondContact O-N 3.44Å; A543-S546 WeakPolarHBondContact CA-OG 3.12Å; A543-S546 PolarHBondContact O-N 3.44Å; A543-S546 PolarHBondContact O-OG 3.37Å; A543-H547 PolarHBondContact O-N 2.96Å
544Y87.4Confident87.6Confident7 Ų747.7 Ų47.73%0.02725%0.246CC..Hα-helixtrans-60.9-35.4172.1-150.2-87.3000112.6R485 E488 Y540 V541 R542 S546 Y553 V555 L558R485-Y544 VanDerWaalsContact NH2-CZ 3.27Å; R485-Y544 PolarHBondContact NH2-OH 2.63Å; E488-Y544 VanDerWaalsContact OE1-CE2 3.25Å; E488-Y544 WeakPolarHBondContact OE1-CE2 3.49Å; E488-Y544 PolarHBondContact OE1-OH 2.68Å; Y540-Y544 PolarHBondContact O-N 3.45Å; V541-Y544 WeakPolarHBondContact O-CB 3.47Å; R542-Y544 VanDerWaalsContact C-N 3.32Å; Y544-S546 VanDerWaalsContact C-N 3.34Å; Y544-Y553 AromaticContact CE2-CD1 3.66Å; Y544-Y553 HydrophobicContact CE2-CD1 3.66Å; Y544-Y553 HydrophobicContact CE2-CE1 4.48Å; Y544-Y553 AromaticContact CZ-CD1 3.7Å; Y544-Y553 WeakPolarHBondContact OH-CA 3.48Å; Y544-Y553 WeakPolarHBondContact OH-CD1 3.45Å; Y544-V555 HydrophobicContact CD1-CG2 4.15Å; Y544-L558 HydrophobicContact CD1-CD2 4.2Å; Y544-L558 HydrophobicContact CG-CD2 4.28Å
545D87.3Confident87.1Confident58 Ų5845.8 Ų45.831%0.3124%0.238SC..Hα-helixtrans-77.2-13.5172.8-156.937.7000113.8V541 R542 A543 K550 V555 L577V541-D545 PolarHBondContact O-N 2.82Å; R542-D545 CarbonylContact O-C 3.49Å; R542-D545 PolarHBondContact O-N 3.49Å; A543-D545 VanDerWaalsContact C-N 3.28Å; A543-D545 PolarHBondContact O-N 3.44Å; D545-K550 PolarHBondContact O-NZ 2.98Å; D545-V555 HydrophobicContact CB-CG2 3.67Å; D545-V555 WeakPolarHBondContact OD1-CG2 3.39Å; D545-L577 HydrophobicContact CB-CD2 4.23Å
546S85.7Confident86.5Confident83 Ų8347.5 Ų47.558%0.5826%0.258SS*.Hα-helixtrans-91.2-26.5169.352.20000114.3R542 A543 Y544 S548 K550R542-S546 PolarHBondContact O-N 3.31Å; R542-S546 PolarHBondContact O-OG 2.85Å; A543-S546 WeakPolarHBondContact CA-OG 3.12Å; A543-S546 PolarHBondContact O-N 3.44Å; A543-S546 PolarHBondContact O-OG 3.37Å; Y544-S546 VanDerWaalsContact C-N 3.34Å; S546-S548 PolarHBondContact O-N 3.03Å; S546-K550 VanDerWaalsContact C-NZ 3.27Å; S546-K550 PolarHBondContact O-NZ 2.96Å
547H84.1Confident86Confident9 Ų950.4 Ų50.44%0.04228%0.276CS..  trans-42.3130.7-175.4-127.198.7000114.2P457 D458 A543 L549 K550 Y553P457-H547 PolarHBondContact O-NE2 2.95Å; D458-H547 IonicContact OD1-CD2 3.99Å; D458-H547 IonicContact OD1-CE1 3.16Å; D458-H547 IonicContact OD1-CG 2.99Å; D458-H547 IonicContact OD1-ND1 3.6Å; D458-H547 IonicContact OD1-NE2 2.67Å; D458-H547 WeakPolarHBondContact OD2-CA 3.35Å; D458-H547 IonicContact OD2-CD2 2.8Å; A543-H547 PolarHBondContact O-N 2.96Å; H547-L549 PolarHBondContact O-N 2.78Å; H547-K550 VanDerWaalsContact O-CD 3.29Å; H547-K550 WeakPolarHBondContact O-CD 3.29Å; H547-K550 WeakPolarHBondContact O-CE 3.41Å; H547-K550 PolarHBondContact O-NZ 2.98Å; H547-Y553 HydrophobicContact CB-CG 4.21Å; H547-Y553 AromaticContact CD2-CD2 3.43Å; H547-Y553 VanDerWaalsContact CD2-CD2 3.43Å; H547-Y553 WeakPolarHBondContact CD2-CD2 3.48Å; H547-Y553 AromaticContact CD2-CE2 3.84Å; H547-Y553 AromaticContact CD2-CG 3.54Å; H547-Y553 AromaticContact CG-CG 3.78Å; H547-Y553 AromaticContact NE2-CD2 3.92Å; H547-Y553 AromaticContact NE2-CE2 3.88Å; H547-Y553 AromaticContact NE2-CZ 3.99Å
548S81Confident85.5Confident90 Ų9050.9 Ų50.963%0.62928%0.279SS*.SBendtrans-65.1-40.9-171.3-56.70000113.3D458 S546 K550D458-S548 WeakPolarHBondContact OD2-CB 3.42Å; D458-S548 PolarHBondContact OD2-N 2.95Å; D458-S548 PolarHBondContact OD2-OG 3.49Å; S546-S548 PolarHBondContact O-N 3.03Å; S548-K550 VanDerWaalsContact C-N 3.33Å; S548-K550 PolarHBondContact O-N 2.91Å
549L82.8Confident85.3Confident41 Ų4151.7 Ų51.722%0.21529%0.286CS..  trans-83.163.1-174.7-73.1172.2000113.3F491 F494 H547 Q551 I552 Y553F491-L549 HydrophobicContact CD2-CD1 3.88Å; F491-L549 HydrophobicContact CE2-CD1 3.92Å; F494-L549 HydrophobicContact CD1-CD2 4.39Å; F494-L549 HydrophobicContact CD2-CD1 4.48Å; F494-L549 HydrophobicContact CE1-CD2 3.85Å; F494-L549 HydrophobicContact CE2-CD2 4.41Å; F494-L549 HydrophobicContact CG-CD1 4.4Å; F494-L549 HydrophobicContact CZ-CD2 3.87Å; H547-L549 PolarHBondContact O-N 2.78Å; L549-Q551 PolarHBondContact O-N 3.08Å; L549-I552 PolarHBondContact O-N 3.43Å; L549-Y553 HydrophobicContact CB-CD2 3.78Å; L549-Y553 HydrophobicContact CB-CE2 4.2Å; L549-Y553 HydrophobicContact CD1-CE2 4.49Å; L549-Y553 PolarHBondContact O-N 3.08Å
550K82.6Confident85.1Confident91 Ų9153.1 Ų53.140%0.39629%0.292SS..THydrogen-bonded Turntrans-53.9-19.3-175.4-65.2-54.5-174.9-150.70117.4D545 S546 H547 S548 I552D545-K550 PolarHBondContact O-NZ 2.98Å; S546-K550 VanDerWaalsContact C-NZ 3.27Å; S546-K550 PolarHBondContact O-NZ 2.96Å; H547-K550 VanDerWaalsContact O-CD 3.29Å; H547-K550 WeakPolarHBondContact O-CD 3.29Å; H547-K550 WeakPolarHBondContact O-CE 3.41Å; H547-K550 PolarHBondContact O-NZ 2.98Å; S548-K550 VanDerWaalsContact C-N 3.33Å; S548-K550 PolarHBondContact O-N 2.91Å; K550-I552 VanDerWaalsContact C-N 3.34Å
551Q81.1Confident85Confident196 Ų19656.1 Ų56.192%0.91631%0.312SS*.THydrogen-bonded Turntrans-72.8-28.7176.6-62.8-177.64.900112.5L549L549-Q551 PolarHBondContact O-N 3.08Å
552I84Confident84.9Confident17 Ų1759.6 Ų59.69%0.08733%0.329CS..THydrogen-bonded Turntrans-99.6-53.5175.4-60.7158000108.6E488 G490 F491 F494 L549 K550 S554E488-I552 HydrophobicContact CB-CG2 4.41Å; G490-I552 VanDerWaalsContact C-CD1 3.5Å; F491-I552 HydrophobicContact CB-CD1 4.34Å; F494-I552 HydrophobicContact CD2-CD1 3.81Å; F494-I552 HydrophobicContact CE2-CD1 3.6Å; L549-I552 PolarHBondContact O-N 3.43Å; K550-I552 VanDerWaalsContact C-N 3.34Å; I552-S554 PolarHBondContact O-N 2.99Å; I552-S554 VanDerWaalsContact O-N 3.08Å
553Y83.1Confident84.9Confident0 Ų053.5 Ų53.50%031%0.306CS..SBendtrans-90.572.3-175-56.7-80.5000110.6P456 E488 F491 Y544 H547 L549P456-Y553 HydrophobicContact CB-CE1 4.41Å; P456-Y553 WeakPolarHBondContact CB-OH 3.24Å; P456-Y553 HydrophobicContact CG-CE1 3.6Å; P456-Y553 WeakPolarHBondContact CG-OH 3.37Å; E488-Y553 HydrophobicContact CB-CE1 4.24Å; E488-Y553 HydrophobicContact CG-CD1 4.17Å; E488-Y553 HydrophobicContact CG-CE1 3.78Å; F491-Y553 HydrophobicContact CB-CE2 4.43Å; F491-Y553 WeakPolarHBondContact CB-OH 3.38Å; F491-Y553 AromaticContact CD2-CE2 3.96Å; F491-Y553 HydrophobicContact CD2-CE2 3.96Å; F491-Y553 HydrophobicContact CG-CE2 4.36Å; F491-Y553 WeakPolarHBondContact CG-OH 3.36Å; Y544-Y553 AromaticContact CE2-CD1 3.66Å; Y544-Y553 HydrophobicContact CE2-CD1 3.66Å; Y544-Y553 HydrophobicContact CE2-CE1 4.48Å; Y544-Y553 AromaticContact CZ-CD1 3.7Å; Y544-Y553 WeakPolarHBondContact OH-CA 3.48Å; Y544-Y553 WeakPolarHBondContact OH-CD1 3.45Å; H547-Y553 HydrophobicContact CB-CG 4.21Å; H547-Y553 AromaticContact CD2-CD2 3.43Å; H547-Y553 VanDerWaalsContact CD2-CD2 3.43Å; H547-Y553 WeakPolarHBondContact CD2-CD2 3.48Å; H547-Y553 AromaticContact CD2-CE2 3.84Å; H547-Y553 AromaticContact CD2-CG 3.54Å; H547-Y553 AromaticContact CG-CG 3.78Å; H547-Y553 AromaticContact NE2-CD2 3.92Å; H547-Y553 AromaticContact NE2-CE2 3.88Å; H547-Y553 AromaticContact NE2-CZ 3.99Å; L549-Y553 HydrophobicContact CB-CD2 3.78Å; L549-Y553 HydrophobicContact CB-CE2 4.2Å; L549-Y553 HydrophobicContact CD1-CE2 4.49Å; L549-Y553 PolarHBondContact O-N 3.08Å
554S82.3Confident85Confident35 Ų3552.7 Ų52.725%0.24530%0.3CS..  trans-107.8126.4177-161.60000111.9I552 S556 T557I552-S554 PolarHBondContact O-N 2.99Å; I552-S554 VanDerWaalsContact O-N 3.08Å; S554-S556 PolarHBondContact O-N 3.49Å; S554-S556 VanDerWaalsContact O-N 3.14Å; S554-S556 PolarHBondContact OG-OG 2.68Å; S554-T557 PolarHBondContact O-N 2.74Å; S554-T557 PolarHBondContact O-OG1 3.47Å
555V82.1Confident85.1Confident21 Ų2154.4 Ų54.413%0.12731%0.309CS..G310 helixtrans-62.3-22.8177.4-1740000112V541 Y544 D545 T557 L558 L577V541-V555 HydrophobicContact CG1-CG1 4.28Å; Y544-V555 HydrophobicContact CD1-CG2 4.15Å; D545-V555 HydrophobicContact CB-CG2 3.67Å; D545-V555 WeakPolarHBondContact OD1-CG2 3.39Å; V555-T557 PolarHBondContact O-N 2.96Å; V555-L558 VanDerWaalsContact O-CB 3.31Å; V555-L558 WeakPolarHBondContact O-CB 3.35Å; V555-L558 PolarHBondContact O-N 3.34Å; V555-L558 VanDerWaalsContact O-N 3.11Å; V555-L577 HydrophobicContact CG1-CD1 3.95Å
556S82.4Confident85.2Confident108 Ų10851.9 Ų51.976%0.75530%0.296SS*.G310 helixtrans-65.4-21.3174.264.30000114.6S554S554-S556 PolarHBondContact O-N 3.49Å; S554-S556 VanDerWaalsContact O-N 3.14Å; S554-S556 PolarHBondContact OG-OG 2.68Å
557T82.8Confident85.4Confident62 Ų6248.3 Ų48.338%0.3827%0.27SS..G310 helixtrans-98.93.5174.569.20000112.6S554 V555S554-T557 PolarHBondContact O-N 2.74Å; S554-T557 PolarHBondContact O-OG1 3.47Å; V555-T557 PolarHBondContact O-N 2.96Å
558L83.8Confident85.7Confident11 Ų1148.1 Ų48.16%0.05827%0.271CS..  trans-90.9105.1-179.1-166.567.8000109.8V541 Y544 V555 L560 V563V541-L558 HydrophobicContact CG1-CD2 4.05Å; V541-L558 HydrophobicContact CG2-CD2 4.3Å; Y544-L558 HydrophobicContact CD1-CD2 4.2Å; Y544-L558 HydrophobicContact CG-CD2 4.28Å; V555-L558 VanDerWaalsContact O-CB 3.31Å; V555-L558 WeakPolarHBondContact O-CB 3.35Å; V555-L558 PolarHBondContact O-N 3.34Å; V555-L558 VanDerWaalsContact O-N 3.11Å; L558-L560 VanDerWaalsContact C-N 3.35Å; L558-L560 HydrophobicContact CD2-CD2 3.88Å; L558-L560 HydrophobicContact CG-CD2 4.2Å; L558-L560 PolarHBondContact O-N 3.11Å; L558-V563 HydrophobicContact CD1-CG2 3.63Å; L558-V563 HydrophobicContact CG-CG2 3.89Å
559N86.8Confident86.1Confident81 Ų8144.5 Ų44.543%0.43324%0.244SC..  trans-6991.2173.8-175.5-30.2000109.7P561 M562 V563N559-P561 VanDerWaalsContact OD1-CD 3.29Å; N559-P561 WeakPolarHBondContact OD1-CD 3.25Å; N559-M562 HydrophobicContact CB-CB 4.2Å; N559-M562 HydrophobicContact CB-CG 4.3Å; N559-M562 VanDerWaalsContact CG-CG 3.5Å; N559-M562 WeakPolarHBondContact ND2-CG 3.39Å; N559-M562 PolarHBondContact O-N 3.12Å; N559-M562 VanDerWaalsContact O-N 3.08Å; N559-M562 WeakPolarHBondContact OD1-CG 3.24Å; N559-M562 PolarHBondContact OD1-N 3.41Å; N559-V563 WeakPolarHBondContact O-CG2 3.43Å; N559-V563 PolarHBondContact O-N 2.85Å
560L87.8Confident86.2Confident52 Ų5247.5 Ų47.527%0.27226%0.264SS..Hα-helixtrans-56-43.6-174.7-65.4178.2000113.7V541 L558 M562 V563 A564V541-L560 HydrophobicContact CG1-CD2 3.78Å; V541-L560 HydrophobicContact CG2-CD2 3.97Å; L558-L560 VanDerWaalsContact C-N 3.35Å; L558-L560 HydrophobicContact CD2-CD2 3.88Å; L558-L560 HydrophobicContact CG-CD2 4.2Å; L558-L560 PolarHBondContact O-N 3.11Å; L560-M562 PolarHBondContact O-N 3.27Å; L560-V563 PolarHBondContact O-N 3.46Å; L560-A564 WeakPolarHBondContact O-CB 3.41Å; L560-A564 PolarHBondContact O-N 2.94Å
561P88.9Confident86.3Confident70 Ų7048.4 Ų48.446%0.45528%0.277SS..Hα-helixtrans-53.1-48.3169.3-28.834.3000114.3N559 V563 A564 L565 P572N559-P561 VanDerWaalsContact OD1-CD 3.29Å; N559-P561 WeakPolarHBondContact OD1-CD 3.25Å; P561-V563 VanDerWaalsContact C-N 3.31Å; P561-V563 PolarHBondContact O-N 2.96Å; P561-A564 WeakPolarHBondContact O-CB 3.04Å; P561-A564 PolarHBondContact O-N 3.22Å; P561-A564 VanDerWaalsContact O-N 3.12Å; P561-L565 PolarHBondContact O-N 2.86Å; P561-L565 VanDerWaalsContact O-N 3.11Å; P561-P572 HydrophobicContact CG-CG 4.4Å
562M89.7Confident86.6Confident73 Ų7341.5 Ų41.536%0.3625%0.249SC..Hα-helixtrans-70-27.5-179.7-63.6-62.1-178.300112.9E364 N559 L560 L565E364-M562 VanDerWaalsContact CA-O 3.22Å; E364-M562 WeakPolarHBondContact CA-O 3.43Å; E364-M562 HydrophobicContact CB-CB 4.27Å; E364-M562 WeakPolarHBondContact CB-O 3.38Å; E364-M562 HydrophobicContact CB-SD 4.18Å; E364-M562 HydrophobicContact CG-SD 4.16Å; E364-M562 PolarHBondContact N-O 3.01Å; N559-M562 HydrophobicContact CB-CB 4.2Å; N559-M562 HydrophobicContact CB-CG 4.3Å; N559-M562 VanDerWaalsContact CG-CG 3.5Å; N559-M562 WeakPolarHBondContact ND2-CG 3.39Å; N559-M562 PolarHBondContact O-N 3.12Å; N559-M562 VanDerWaalsContact O-N 3.08Å; N559-M562 WeakPolarHBondContact OD1-CG 3.24Å; N559-M562 PolarHBondContact OD1-N 3.41Å; L560-M562 PolarHBondContact O-N 3.27Å; M562-L565 HydrophobicContact SD-CD1 3.85Å
563V89.3Confident86.7Confident1 Ų141.4 Ų41.41%0.00625%0.249CC..Hα-helixtrans-71.1-39.6168.9177.70000110.8Y537 Y540 L558 N559 L560 P561 L565 S566 F567Y537-V563 HydrophobicContact CD2-CG1 3.99Å; Y537-V563 HydrophobicContact CE2-CB 4.18Å; Y537-V563 HydrophobicContact CE2-CG1 3.78Å; Y540-V563 HydrophobicContact CD1-CG1 3.7Å; Y540-V563 HydrophobicContact CE1-CG1 3.64Å; Y540-V563 HydrophobicContact CE1-CG2 4.49Å; L558-V563 HydrophobicContact CD1-CG2 3.63Å; L558-V563 HydrophobicContact CG-CG2 3.89Å; N559-V563 WeakPolarHBondContact O-CG2 3.43Å; N559-V563 PolarHBondContact O-N 2.85Å; L560-V563 PolarHBondContact O-N 3.46Å; P561-V563 VanDerWaalsContact C-N 3.31Å; P561-V563 PolarHBondContact O-N 2.96Å; V563-L565 VanDerWaalsContact C-N 3.3Å; V563-L565 PolarHBondContact O-N 3.06Å; V563-S566 PolarHBondContact O-N 3.2Å; V563-S566 PolarHBondContact O-OG 3.11Å; V563-S566 VanDerWaalsContact O-OG 3.04Å; V563-F567 HydrophobicContact CG1-CD2 4.33Å; V563-F567 HydrophobicContact CG1-CE2 4.14Å; V563-F567 WeakPolarHBondContact O-CD2 3.31Å
564A90.4Very high86.9Confident0 Ų049.8 Ų49.80%028%0.282CS..Hα-helixtrans-61.3-38.6179.200000112.1Y537 L560 P561 S566 F567 G568 F569 P572Y537-A564 HydrophobicContact CE2-CB 3.92Å; L560-A564 WeakPolarHBondContact O-CB 3.41Å; L560-A564 PolarHBondContact O-N 2.94Å; P561-A564 WeakPolarHBondContact O-CB 3.04Å; P561-A564 PolarHBondContact O-N 3.22Å; P561-A564 VanDerWaalsContact O-N 3.12Å; A564-S566 VanDerWaalsContact C-N 3.32Å; A564-S566 PolarHBondContact O-N 2.88Å; A564-F567 CarbonylContact O-C 3.54Å; A564-F567 WeakPolarHBondContact O-CA 3.29Å; A564-F567 PolarHBondContact O-N 3.31Å; A564-G568 PolarHBondContact O-N 3.04Å; A564-F569 CarbonylContact C-O 3.27Å; A564-F569 VanDerWaalsContact C-O 3.27Å; A564-F569 HydrophobicContact CB-CB 4.03Å; A564-F569 PolarHBondContact O-N 3.14Å; A564-P572 HydrophobicContact CB-CB 3.77Å
565L90.1Very high87Confident43 Ų4348.9 Ų48.923%0.22528%0.275CS..Hα-helixtrans-58.2-37.3174.9-70.3174.9000113.4E364 Q516 P561 M562 V563 F567 G568 F569E364-L565 HydrophobicContact CB-CB 4.04Å; E364-L565 HydrophobicContact CB-CD1 4.18Å; Q516-L565 PolarHBondContact NE2-O 3.33Å; P561-L565 PolarHBondContact O-N 2.86Å; P561-L565 VanDerWaalsContact O-N 3.11Å; M562-L565 HydrophobicContact SD-CD1 3.85Å; V563-L565 VanDerWaalsContact C-N 3.3Å; V563-L565 PolarHBondContact O-N 3.06Å; L565-F567 PolarHBondContact O-N 3Å; L565-G568 WeakPolarHBondContact O-CA 3.34Å; L565-G568 PolarHBondContact O-N 2.92Å; L565-F569 PolarHBondContact N-O 3.12Å
566S89Confident86.8Confident6 Ų652.6 Ų52.64%0.04229%0.294CS..Hα-helixtrans-77-8.8176.960.50000114.3S363 V563 A564S363-S566 VanDerWaalsContact O-CB 3.23Å; S363-S566 WeakPolarHBondContact O-CB 3.34Å; S363-S566 PolarHBondContact O-OG 2.95Å; V563-S566 PolarHBondContact O-N 3.2Å; V563-S566 PolarHBondContact O-OG 3.11Å; V563-S566 VanDerWaalsContact O-OG 3.04Å; A564-S566 VanDerWaalsContact C-N 3.32Å; A564-S566 PolarHBondContact O-N 2.88Å
567F90.3Very high86.4Confident7 Ų749.1 Ų49.13%0.03127%0.267CS..THydrogen-bonded Turntrans-98.711.9162.3-70.2-94.3000112.4F394 I523 A536 Y537 Y540 V563 A564 L565 F569F394-F567 AromaticContact CD1-CD1 3.71Å; F394-F567 HydrophobicContact CD1-CD1 3.71Å; F394-F567 AromaticContact CD1-CE1 3.94Å; F394-F567 HydrophobicContact CD1-CE1 3.94Å; F394-F567 HydrophobicContact CE1-CB 4.5Å; F394-F567 AromaticContact CE1-CD1 3.49Å; F394-F567 HydrophobicContact CE1-CD1 3.49Å; F394-F567 VanDerWaalsContact CE1-CD1 3.49Å; F394-F567 HydrophobicContact CE1-CE1 4.11Å; F394-F567 HydrophobicContact CE1-CG 4.32Å; F394-F567 HydrophobicContact CZ-CD1 4.37Å; I523-F567 WeakPolarHBondContact CD1-O 3.41Å; A536-F567 HydrophobicContact CB-CD1 4.07Å; A536-F567 HydrophobicContact CB-CE1 3.69Å; Y537-F567 AromaticContact CD2-CD2 3.81Å; Y537-F567 HydrophobicContact CD2-CD2 3.81Å; Y537-F567 HydrophobicContact CD2-CE2 4.27Å; Y537-F567 HydrophobicContact CD2-CG 4.31Å; Y537-F567 HydrophobicContact CG-CD2 4.44Å; Y540-F567 HydrophobicContact CD1-CE2 4Å; Y540-F567 HydrophobicContact CD1-CZ 4.34Å; Y540-F567 HydrophobicContact CG-CE2 4.24Å; Y540-F567 HydrophobicContact CG-CZ 4.1Å; V563-F567 HydrophobicContact CG1-CD2 4.33Å; V563-F567 HydrophobicContact CG1-CE2 4.14Å; V563-F567 WeakPolarHBondContact O-CD2 3.31Å; A564-F567 CarbonylContact O-C 3.54Å; A564-F567 WeakPolarHBondContact O-CA 3.29Å; A564-F567 PolarHBondContact O-N 3.31Å; L565-F567 PolarHBondContact O-N 3Å; F567-F569 HydrophobicContact CB-CD2 3.9Å; F567-F569 HydrophobicContact CB-CE2 4.2Å
568G88.7Confident85.4Confident5 Ų552.2 Ų52.25%0.05228%0.281CS..THydrogen-bonded Turntrans73.618.3178.100000115.6A564 L565A564-G568 PolarHBondContact O-N 3.04Å; L565-G568 WeakPolarHBondContact O-CA 3.34Å; L565-G568 PolarHBondContact O-N 2.92Å
569F89.6Confident84.1Confident15 Ų1556.9 Ų56.97%0.06631%0.31CS..  trans-101.8119.1177.4-67.9-69000111.7I523 H530 A533 Q534 A564 L565 F567 V571 P573I523-F569 HydrophobicContact CG2-CE1 4.38Å; H530-F569 AromaticContact CD2-CE1 3.81Å; H530-F569 AromaticContact NE2-CE1 3.64Å; A533-F569 HydrophobicContact CB-CE2 3.62Å; A533-F569 HydrophobicContact CB-CZ 3.66Å; Q534-F569 HydrophobicContact CB-CE2 4.45Å; Q534-F569 HydrophobicContact CB-CZ 3.88Å; Q534-F569 HydrophobicContact CG-CZ 4.34Å; A564-F569 CarbonylContact C-O 3.27Å; A564-F569 VanDerWaalsContact C-O 3.27Å; A564-F569 HydrophobicContact CB-CB 4.03Å; A564-F569 PolarHBondContact O-N 3.14Å; L565-F569 PolarHBondContact N-O 3.12Å; F567-F569 HydrophobicContact CB-CD2 3.9Å; F567-F569 HydrophobicContact CB-CE2 4.2Å; F569-V571 VanDerWaalsContact C-N 3.33Å; F569-P573 HydrophobicContact CD1-CG 4.13Å; F569-P573 HydrophobicContact CD2-CG 3.7Å; F569-P573 HydrophobicContact CE1-CG 4.2Å; F569-P573 HydrophobicContact CE2-CG 3.78Å; F569-P573 HydrophobicContact CG-CG 3.89Å; F569-P573 HydrophobicContact CZ-CG 4.03Å
570T85.6Confident82.1Confident104 Ų10460.2 Ų60.264%0.63832%0.323SS*.SBendtrans-69.8-29.7170.353.40000112.7E520E520-T570 HydrophobicContact CG-CG2 4.44Å
571V85.3Confident79.8Confident109 Ų10962.4 Ų62.466%0.66134%0.342SS*.SBendtrans-116.8121.7175.2-179.30000109F569 P573F569-V571 VanDerWaalsContact C-N 3.33Å; V571-P573 WeakPolarHBondContact O-CD 3.36Å
572P85.8Confident77.6Confident51 Ų5164.9 Ų64.933%0.33136%0.361SS..PPolyproline II helixtrans-63.9125.3-175.224.8-34.1000111.9P561 A564P561-P572 HydrophobicContact CG-CG 4.4Å; A564-P572 HydrophobicContact CB-CB 3.77Å
573P88Confident75.3Confident15 Ų1571 Ų7110%0.09739%0.386CS..PPolyproline II helixtrans-58.5145.2173.6-24.933.6000112.3Q534 Y537 F569 V571 V575Q534-P573 HydrophobicContact CG-CB 3.68Å; Q534-P573 HydrophobicContact CG-CG 3.89Å; Y537-P573 HydrophobicContact CD1-CB 3.94Å; Y537-P573 HydrophobicContact CD1-CG 3.89Å; Y537-P573 HydrophobicContact CE1-CB 4.05Å; Y537-P573 HydrophobicContact CE1-CG 4.17Å; Y537-P573 WeakPolarHBondContact CE1-O 3.45Å; F569-P573 HydrophobicContact CD1-CG 4.13Å; F569-P573 HydrophobicContact CD2-CG 3.7Å; F569-P573 HydrophobicContact CE1-CG 4.2Å; F569-P573 HydrophobicContact CE2-CG 3.78Å; F569-P573 HydrophobicContact CG-CG 3.89Å; F569-P573 HydrophobicContact CZ-CG 4.03Å; V571-P573 WeakPolarHBondContact O-CD 3.36Å; P573-V575 PolarHBondContact O-N 3.3Å
574Y86.2Confident72.8Confident176 Ų17673.8 Ų73.869%0.6942%0.415SS*.PPolyproline II helixtrans-62127.7174.5-179-99.1000111.3K538 D576K538-Y574 WeakPolarHBondContact CE-O 3.31Å; Y574-D576 HydrophobicContact CE1-CB 3.94Å
575V83.6Confident70.2Confident16 Ų1682.1 Ų82.110%0.09746%0.458CS..  trans-117121.2171-166.10000107.9Y537 K538 V541 R542 P573 L577Y537-V575 HydrophobicContact CD1-CG2 4Å; Y537-V575 HydrophobicContact CE1-CG2 3.41Å; Y537-V575 VanDerWaalsContact CE1-CG2 3.41Å; K538-V575 HydrophobicContact CG-CG2 4.18Å; V541-V575 HydrophobicContact CB-CG1 4.41Å; V541-V575 HydrophobicContact CB-CG2 4.46Å; V541-V575 HydrophobicContact CG1-CG1 4.5Å; V541-V575 HydrophobicContact CG2-CG2 4.48Å; R542-V575 HydrophobicContact CG-CG1 4.32Å; P573-V575 PolarHBondContact O-N 3.3Å; V575-L577 HydrophobicContact CB-CD1 4.41Å; V575-L577 HydrophobicContact CB-CG 4.17Å; V575-L577 HydrophobicContact CG1-CD2 3.96Å; V575-L577 HydrophobicContact CG1-CG 3.89Å; V575-L577 PolarHBondContact O-N 3.38Å
576D77.8Confident67.4Low99 Ų9989.9 Ų89.953%0.52949%0.49SS..  trans-74.6113.2167.9-175.336.9000108.7R542 Y574R542-D576 PolarHBondContact NE-O 3.32Å; R542-D576 PolarHBondContact NH2-O 3.14Å; R542-D576 VanDerWaalsContact NH2-O 3.14Å; Y574-D576 HydrophobicContact CE1-CB 3.94Å
577L75.9Confident64.8Low35 Ų3597.5 Ų97.518%0.18353%0.53CS..  trans-123.9125.3-174.6-70.9168.5000108.9V541 D545 V555 V575 V579V541-L577 HydrophobicContact CG1-CD1 3.97Å; V541-L577 HydrophobicContact CG1-CD2 3.91Å; V541-L577 HydrophobicContact CG1-CG 4.46Å; D545-L577 HydrophobicContact CB-CD2 4.23Å; V555-L577 HydrophobicContact CG1-CD1 3.95Å; V575-L577 HydrophobicContact CB-CD1 4.41Å; V575-L577 HydrophobicContact CB-CG 4.17Å; V575-L577 HydrophobicContact CG1-CD2 3.96Å; V575-L577 HydrophobicContact CG1-CG 3.89Å; V575-L577 PolarHBondContact O-N 3.38Å; L577-V579 HydrophobicContact CB-CG2 3.81Å; L577-V579 PolarHBondContact O-N 2.88Å
578N60.4Low62.3Low128 Ų128105.7 Ų105.768%0.68457%0.568SS**  trans-86.550.4-169.8-153.6-2.2000111.5H580N578-H580 PolarHBondContact O-N 2.88Å; N578-H580 PolarHBondContact O-ND1 2.82Å
579V56Low59.7Low109 Ų109115.4 Ų115.466%0.66161%0.609SS**  trans-65.989.2-171.2-172.40000110.3L577 S581L577-V579 HydrophobicContact CB-CG2 3.81Å; L577-V579 PolarHBondContact O-N 2.88Å; V579-S581 PolarHBondContact O-N 2.95Å
580H45.4Very low57.1Low151 Ų151126.1 Ų126.170%0.69965%0.649SS**  trans-64.2109.8173.4-80.258.1000108.9N578 S582N578-H580 PolarHBondContact O-N 2.88Å; N578-H580 PolarHBondContact O-ND1 2.82Å; H580-S582 PolarHBondContact O-N 2.84Å
581S40.7Very low54.5Low97 Ų97125 Ų12568%0.67866%0.658SS**  trans-63.496.3179.7-177.80000110.7V579 K583V579-S581 PolarHBondContact O-N 2.95Å; S581-K583 PolarHBondContact O-N 3.05Å
582S42.7Very low52Low123 Ų123123.4 Ų123.486%0.8666%0.664SS**SBendtrans-73.727.3172.3500000112.9H580H580-S582 PolarHBondContact O-N 2.84Å
583K41.5Very low49.4Very low201 Ų201125 Ų12587%0.87469%0.69SS**  trans-119.444.9167.9-70.3-168.7175-176.70111.6S581S581-K583 PolarHBondContact O-N 3.05Å
584G36.2Very low46.8Very low59 Ų59128.5 Ų128.561%0.60873%0.728SS**SBendtrans-116121.1162.400000109.8K586G584-K586 PolarHBondContact O-N 2.93Å
585L35.1Very low44.2Very low176 Ų176123.8 Ų123.892%0.92173%0.733SS**  trans-55.7124.9176.4-77.6146.7000110.2L587L585-L587 VanDerWaalsContact C-N 3.35Å; L585-L587 PolarHBondContact O-N 3.49Å
586K31.9Very low42.2Very low206 Ų206133.9 Ų133.990%0.89678%0.776SS**  trans-63.498.4165.6-79.8-175.5177.9176.70107.9G584 Q588G584-K586 PolarHBondContact O-N 2.93Å; K586-Q588 PolarHBondContact O-N 3.27Å
587L33.8Very low40Very low166 Ų166132.3 Ų132.387%0.86978%0.783SS**  trans-58.2113.1176.9-159.879.9000108.5L585 K589L585-L587 VanDerWaalsContact C-N 3.35Å; L585-L587 PolarHBondContact O-N 3.49Å; L587-K589 PolarHBondContact O-N 3.35Å
588Q37.3Very low38.2Very low179 Ų179141.9 Ų141.984%0.83682%0.819SS**  trans-59.9122.7180-76.2-174.7-16.300109.5K586 R590K586-Q588 PolarHBondContact O-N 3.27Å; Q588-R590 VanDerWaalsContact C-N 3.32Å; Q588-R590 PolarHBondContact O-N 3.4Å
589K34.8Very low36.9Very low209 Ų209144.6 Ų144.691%0.90983%0.827SS**  trans-67.494.1164.2-89.5-171.5171.7-178.40108.5L587 G591L587-K589 PolarHBondContact O-N 3.35Å; K589-G591 PolarHBondContact O-N 3.4Å
590R34.5Very low35.8Very low239 Ų239148.5 Ų148.590%0.90284%0.835SS**  trans-54.5127.6156.1-89.2-176.1164-178.6-5.5107.7Q588Q588-R590 VanDerWaalsContact C-N 3.32Å; Q588-R590 PolarHBondContact O-N 3.4Å
591G32.5Very low35.4Very low80 Ų80146.2 Ų146.283%0.82584%0.842SS**  trans-77.7156.3176.900000112.1K589K589-G591 PolarHBondContact O-N 3.4Å
592G31.6Very low35.1Very low77 Ų77151.1 Ų151.179%0.79485%0.852SS**  trans139144.417100000113.6
593G31.5Very low34.6Very low84 Ų84152.8 Ų152.887%0.86685%0.851SS**  trans81.1118.6168.600000115.5
594G33.5Very low34.5Very low88 Ų88149.6 Ų149.691%0.90785%0.848SS**  trans-96.1144.7163.700000110.7
595G31.2Very low34.4Very low77 Ų77158.3 Ų158.379%0.79486%0.863SS**  trans-177.1131.2173.700000111.3G597G595-G597 PolarHBondContact O-N 3.04Å
596F41.4Very low34.6Very low229 Ų229159.1 Ų159.1100%1.00486%0.858SS**  trans-74.2121.1168.6-90.1-107.7000108.4
597G32.8Very low34.9Very low66 Ų66154.5 Ų154.568%0.6885%0.852SS**  trans-147.9113.7-17700000112G595 Q599G595-G597 PolarHBondContact O-N 3.04Å; G597-Q599 PolarHBondContact O-N 2.92Å
598Y38Very low34.9Very low235 Ų235157.6 Ų157.692%0.92285%0.852SS**  trans-73.1117.3179.5-159.2-91.2000109.9
599Q33.6Very low34.9Very low186 Ų186156 Ų15687%0.86985%0.848SS**  trans-104.1123.2178.5-73.6-164.3-17.700112G597G597-Q599 PolarHBondContact O-N 2.92Å
600K31.4Very low34.8Very low190 Ų190155.3 Ų155.383%0.82685%0.845SS**  trans-61.8143.5174.5-69.5-178.3174.7-178.80111.2K602K600-K602 PolarHBondContact O-N 3.33Å
601A37.6Very low34.9Very low103 Ų103152.6 Ų152.685%0.85184%0.84SS**  trans-54.9133.8163.100000110.1
602K34.1Very low35Very low201 Ų201157.4 Ų157.487%0.87484%0.841SS**  trans-107.9141.5175-89.2-174.4172.5179.90110.6K600 V604K600-K602 PolarHBondContact O-N 3.33Å; K602-V604 PolarHBondContact O-N 2.89Å
603N33.1Very low35.1Very low158 Ų158159.6 Ų159.685%0.84584%0.838SS**  trans-55.5131.1-169-65-16.3000113.7R605N603-R605 PolarHBondContact O-N 3.18Å
604V38.6Very low35.2Very low133 Ų133160.7 Ų160.781%0.80683%0.833SS**  trans-62.7113163178.30000108.4K602 K606K602-V604 PolarHBondContact O-N 2.89Å; V604-K606 PolarHBondContact O-N 3.22Å; V604-K606 VanDerWaalsContact O-N 3.12Å
605R34.5Very low35.4Very low243 Ų243168.1 Ų168.192%0.91783%0.833SS**  trans-67.9107.6166-90.3-174.4165.7-178-4.2108.2N603 S607N603-R605 PolarHBondContact O-N 3.18Å; R605-S607 PolarHBondContact O-N 3.4Å
606K38.4Very low35.5Very low192 Ų192168.3 Ų168.384%0.83584%0.835SS**  trans-53.5133.1168-67.3-176.8178.1-1790109.1V604V604-K606 PolarHBondContact O-N 3.22Å; V604-K606 VanDerWaalsContact O-N 3.12Å
607S39.1Very low35.2Very low109 Ų109163 Ų16376%0.76283%0.827SS**  trans-62.4153.1172.242.70000110.7R605 I609R605-S607 PolarHBondContact O-N 3.4Å; S607-I609 PolarHBondContact O-N 3.47Å; S607-I609 VanDerWaalsContact O-N 3.12Å
608R33.8Very low35.5Very low231 Ų231165.1 Ų165.187%0.87283%0.831SS**  trans-70.8109.2-174.9-64.6174.678.6172.54.3109.8F610R608-F610 PolarHBondContact O-N 3.17Å
609I36.2Very low35.6Very low146 Ų146159.6 Ų159.675%0.74982%0.817SS**  trans-70.8109.6173.7-57.6171.4000108.4S607 K611S607-I609 PolarHBondContact O-N 3.47Å; S607-I609 VanDerWaalsContact O-N 3.12Å; I609-K611 HydrophobicContact CG2-CG 4.3Å; I609-K611 PolarHBondContact O-N 3.3Å
610F33.8Very low35.9Very low194 Ų194161.9 Ų161.985%0.85182%0.818SS**  trans-77.5102.8162-96-90.2000108.6R608R608-F610 PolarHBondContact O-N 3.17Å
611K35.7Very low36.2Very low182 Ų182162.8 Ų162.879%0.79182%0.816SS**  trans-72.3137.8166-80.5-170.7172-173.50109.3I609 V613I609-K611 HydrophobicContact CG2-CG 4.3Å; I609-K611 PolarHBondContact O-N 3.3Å; K611-V613 PolarHBondContact O-N 3.12Å
612H34.6Very low36.2Very low182 Ų182165.3 Ų165.384%0.84381%0.81SS**  trans-65.7130167.6-161-84.5000109.2S614H612-S614 PolarHBondContact O-N 3.12Å
613V34.5Very low36.2Very low122 Ų122164.6 Ų164.674%0.73981%0.808SS**  trans-84.3108.8176.9177.90000108.5K611 R615K611-V613 PolarHBondContact O-N 3.12Å; V613-R615 PolarHBondContact O-N 3.41Å
614S33.8Very low36.2Very low107 Ų107161.9 Ų161.975%0.74880%0.801SS**  trans-74.6110.9166.850.20000109.4H612 G616H612-S614 PolarHBondContact O-N 3.12Å; S614-G616 PolarHBondContact O-N 3.47Å
615R37Very low36Very low244 Ų244170.8 Ų170.892%0.92182%0.82SS**  trans-67.6122.6160.4-80.2-177.4169.5174-3.8108V613V613-R615 PolarHBondContact O-N 3.41Å
616G34.3Very low36.1Very low81 Ų81167.2 Ų167.284%0.83582%0.815SS**  trans-77.8133.8171.900000111.1S614S614-G616 PolarHBondContact O-N 3.47Å
617S33.7Very low36Very low118 Ų118165.8 Ų165.883%0.82581%0.814SS**  trans-148.1157.3142.1-162.80000108.9
618S40.4Very low35.8Very low110 Ų110169 Ų16977%0.76982%0.817SS**  trans-67.4138-175.3510000114.1
619D39.1Very low35.9Very low119 Ų119165.4 Ų165.464%0.63681%0.814SS**  -145.5153117.1-158.60.5000110.3R621D619-R621 IonicContact OD1-NH2 3.4Å; D619-R621 PolarHBondContact OD1-NH2 3.42Å; D619-R621 IonicContact OD2-CZ 3.65Å; D619-R621 IonicContact OD2-NE 3.59Å; D619-R621 IonicContact OD2-NH2 2.93Å; D619-R621 PolarHBondContact OD2-NH2 3.43Å
620R40.4Very low35.9Very low235 Ų235166.6 Ų166.689%0.88782%0.818SS**  trans-110.6114.8166.9-81.2-179.7171.2177.1-3.1107.9
621R36.9Very low36.1Very low209 Ų209164.7 Ų164.779%0.78982%0.816SS**  trans-153.8141.4158-119.8158.7-70.3-150.74.6112.4D619D619-R621 IonicContact OD1-NH2 3.4Å; D619-R621 PolarHBondContact OD1-NH2 3.42Å; D619-R621 IonicContact OD2-CZ 3.65Å; D619-R621 IonicContact OD2-NE 3.59Å; D619-R621 IonicContact OD2-NH2 2.93Å; D619-R621 PolarHBondContact OD2-NH2 3.43Å
622Q39.3Very low36.1Very low155 Ų155163.5 Ų163.572%0.72482%0.818SS**  trans-77.8150.8173.6-61.1147.4-68.400109.1
623F32.1Very low36.2Very low186 Ų186162.1 Ų162.182%0.81682%0.816SS**  179.7166.694.9-100.8-71.9000111.8
624S34Very low36.3Very low102 Ų102165.4 Ų165.471%0.71382%0.822SS**  trans-95.4131.6-179.853.80000112.7
625R35Very low36.6Very low319 Ų319170.7 Ų170.7100%1.20483%0.829SS**  -166.90119.8-111179.8177.4-176.8-0.9111.5

Retrieved 625 of 625 residues in 1247.9 ms (Link to these results)

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