A0A077ZEQ7_TRITR Loading...

Casein kinase II subunit alpha

AlphaFold DB , UniProt , Accession A0A077ZEQ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 335 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
1M43Very low54.4Low224 Ų224119.8 Ų119.8100%1.10366%0.664SS**  02.60-80.2179-166.600114.4
2T47.4Very low55.6Low134 Ų134120.5 Ų120.582%0.82266%0.659SS**  trans-93.1-0.4-170.922.80000116.6
3S49.4Very low56.5Low92 Ų92115.3 Ų115.364%0.64364%0.642SS**SBendtrans-92.6-22.6-179.4-161.10000114.6
4V49.5Very low57.3Low114 Ų114114.9 Ų114.969%0.69163%0.632SS**Hα-helixtrans-81.4-30.4-172.1-176.30000111.9K6V4-K6 PolarHBondContact O-N 2.91Å
5N52.5Low57.7Low135 Ų135112.7 Ų112.772%0.72262%0.623SS**Hα-helixtrans-76.6-19.5-179.2-76.20.6000114.6
6K52.5Low58Low166 Ų166110.6 Ų110.672%0.72261%0.61SS**Hα-helixtrans-78-36179.2-78.5-170.1176.9-174.80113V4 Q10V4-K6 PolarHBondContact O-N 2.91Å; K6-Q10 PolarHBondContact O-N 3.14Å
7L51.8Low58.2Low107 Ų107111.1 Ų111.156%0.5661%0.607SS**Hα-helixtrans-66.6-44.9179.1-78.8155.8000111.2A9 Q10 E11L7-A9 VanDerWaalsContact C-N 3.35Å; L7-A9 PolarHBondContact O-N 2.86Å; L7-Q10 PolarHBondContact O-N 2.92Å; L7-E11 PolarHBondContact O-N 3.13Å
8G60.6Low58Low37 Ų37107.8 Ų107.838%0.38159%0.593SS.*Hα-helixtrans-61.9-38.5177.900000113.6Q10 E12G8-Q10 VanDerWaalsContact C-N 3.35Å; G8-Q10 PolarHBondContact O-N 2.74Å; G8-E12 VanDerWaalsContact O-CB 3.27Å; G8-E12 WeakPolarHBondContact O-CB 3.39Å; G8-E12 PolarHBondContact O-N 2.81Å
9A64.6Low57.9Low60 Ų60108.2 Ų108.250%0.49659%0.592SS.*Hα-helixtrans-69.6-31.5177.400000113.1L7 A13L7-A9 VanDerWaalsContact C-N 3.35Å; L7-A9 PolarHBondContact O-N 2.86Å; A9-A13 WeakPolarHBondContact O-CB 3.5Å; A9-A13 PolarHBondContact O-N 2.74Å; A9-A13 VanDerWaalsContact O-N 3.07Å
10Q64.4Low57.7Low121 Ų121111.4 Ų111.457%0.56560%0.595SS**Hα-helixtrans-77.1-43179.4-164.4174-2200111.4K6 L7 G8 A13 E14K6-Q10 PolarHBondContact O-N 3.14Å; L7-Q10 PolarHBondContact O-N 2.92Å; G8-Q10 VanDerWaalsContact C-N 3.35Å; G8-Q10 PolarHBondContact O-N 2.74Å; Q10-A13 PolarHBondContact O-N 3.12Å; Q10-E14 WeakPolarHBondContact O-CG 3.47Å; Q10-E14 PolarHBondContact O-N 3.15Å
11E63.1Low57.5Low128 Ų128110.2 Ų110.260%0.59859%0.588SS**Hα-helixtrans-61.8-42.7172.4-74.9179.9163.300111.5L7 A13 E14 V15L7-E11 PolarHBondContact O-N 3.13Å; E11-A13 VanDerWaalsContact C-N 3.32Å; E11-A13 PolarHBondContact O-N 2.87Å; E11-E14 PolarHBondContact O-N 3.46Å; E11-V15 WeakPolarHBondContact O-CB 3.46Å; E11-V15 VanDerWaalsContact O-CG2 3.29Å; E11-V15 WeakPolarHBondContact O-CG2 3.2Å; E11-V15 PolarHBondContact O-N 2.72Å
12E68.3Low58.1Low128 Ų128104.8 Ų104.860%0.59856%0.563SS**Hα-helixtrans-63.5-38.5176-167175.9-172.700111.5G8 L16G8-E12 VanDerWaalsContact O-CB 3.27Å; G8-E12 WeakPolarHBondContact O-CB 3.39Å; G8-E12 PolarHBondContact O-N 2.81Å; E12-L16 HydrophobicContact CG-CD1 4.16Å; E12-L16 VanDerWaalsContact O-CB 3.24Å; E12-L16 WeakPolarHBondContact O-CB 3.49Å; E12-L16 WeakPolarHBondContact O-CD1 3.32Å; E12-L16 WeakPolarHBondContact O-CG 3.41Å; E12-L16 PolarHBondContact O-N 3.08Å
13A67.7Low58.4Low53 Ų53101.1 Ų101.144%0.43854%0.543SS..Hα-helixtrans-65.2-40.7174.200000112.6A9 Q10 E11 L16 Q17A9-A13 WeakPolarHBondContact O-CB 3.5Å; A9-A13 PolarHBondContact O-N 2.74Å; A9-A13 VanDerWaalsContact O-N 3.07Å; Q10-A13 PolarHBondContact O-N 3.12Å; E11-A13 VanDerWaalsContact C-N 3.32Å; E11-A13 PolarHBondContact O-N 2.87Å; A13-L16 PolarHBondContact O-N 2.75Å; A13-Q17 WeakPolarHBondContact O-CB 3.3Å; A13-Q17 PolarHBondContact O-N 2.88Å
14E67.7Low58.7Low110 Ų11098.8 Ų98.851%0.51452%0.521SS..Hα-helixtrans-70-40177.3-74.9176.9-170.600112.3Q10 E11 Q17 S18Q10-E14 WeakPolarHBondContact O-CG 3.47Å; Q10-E14 PolarHBondContact O-N 3.15Å; E11-E14 PolarHBondContact O-N 3.46Å; E14-Q17 PolarHBondContact O-N 3.26Å; E14-S18 WeakPolarHBondContact O-CB 3.43Å; E14-S18 PolarHBondContact O-N 3.11Å; E14-S18 PolarHBondContact O-OG 2.98Å
15V63.5Low59.1Low81 Ų8197.8 Ų97.849%0.49151%0.509SS..Hα-helixtrans-64.2-44.8172.5173.20000110.1E11 Q17 S18 M19E11-V15 WeakPolarHBondContact O-CB 3.46Å; E11-V15 VanDerWaalsContact O-CG2 3.29Å; E11-V15 WeakPolarHBondContact O-CG2 3.2Å; E11-V15 PolarHBondContact O-N 2.72Å; V15-Q17 VanDerWaalsContact C-N 3.3Å; V15-Q17 PolarHBondContact O-N 3.17Å; V15-S18 WeakPolarHBondContact CA-OG 3.41Å; V15-S18 PolarHBondContact O-N 3.12Å; V15-S18 PolarHBondContact O-OG 3.24Å; V15-M19 HydrophobicContact CG1-CG 4.34Å; V15-M19 HydrophobicContact CG1-SD 4.01Å; V15-M19 VanDerWaalsContact O-CB 3.27Å; V15-M19 WeakPolarHBondContact O-CB 3.42Å; V15-M19 VanDerWaalsContact O-CG 3.22Å; V15-M19 WeakPolarHBondContact O-CG 3.31Å; V15-M19 PolarHBondContact O-N 3.26Å
16L61.1Low59.5Low80 Ų8093.8 Ų93.842%0.41950%0.5SS..Hα-helixtrans-64.3-35.4174.6-73.2170.5000112E12 A13 R20E12-L16 HydrophobicContact CG-CD1 4.16Å; E12-L16 VanDerWaalsContact O-CB 3.24Å; E12-L16 WeakPolarHBondContact O-CB 3.49Å; E12-L16 WeakPolarHBondContact O-CD1 3.32Å; E12-L16 WeakPolarHBondContact O-CG 3.41Å; E12-L16 PolarHBondContact O-N 3.08Å; A13-L16 PolarHBondContact O-N 2.75Å; L16-R20 WeakPolarHBondContact O-CB 3.43Å; L16-R20 WeakPolarHBondContact O-CD 3.17Å; L16-R20 WeakPolarHBondContact O-CG 3.31Å; L16-R20 PolarHBondContact O-N 3.14Å
17Q62.8Low60.1Low118 Ų11886.6 Ų86.655%0.55147%0.469SS*.Hα-helixtrans-70.3-45.2176.9-175.7170.9-3.400111.7A13 E14 V15 R20 L21A13-Q17 WeakPolarHBondContact O-CB 3.3Å; A13-Q17 PolarHBondContact O-N 2.88Å; E14-Q17 PolarHBondContact O-N 3.26Å; V15-Q17 VanDerWaalsContact C-N 3.3Å; V15-Q17 PolarHBondContact O-N 3.17Å; Q17-R20 WeakPolarHBondContact O-CB 3.29Å; Q17-R20 PolarHBondContact O-N 2.97Å; Q17-L21 HydrophobicContact CG-CD1 4.21Å; Q17-L21 WeakPolarHBondContact O-CB 3.49Å; Q17-L21 VanDerWaalsContact O-CG 3.32Å; Q17-L21 WeakPolarHBondContact O-CG 3.42Å; Q17-L21 PolarHBondContact O-N 2.88Å
18S54Low60.6Low52 Ų5281.6 Ų81.636%0.36444%0.443SS..Hα-helixtrans-65.5-42.9175.758.20000111.6E14 V15 R20 L21 L22E14-S18 WeakPolarHBondContact O-CB 3.43Å; E14-S18 PolarHBondContact O-N 3.11Å; E14-S18 PolarHBondContact O-OG 2.98Å; V15-S18 WeakPolarHBondContact CA-OG 3.41Å; V15-S18 PolarHBondContact O-N 3.12Å; V15-S18 PolarHBondContact O-OG 3.24Å; S18-R20 VanDerWaalsContact C-N 3.31Å; S18-R20 PolarHBondContact O-N 3.26Å; S18-L21 PolarHBondContact O-N 3Å; S18-L22 WeakPolarHBondContact O-CB 3.49Å; S18-L22 VanDerWaalsContact O-CG 3.27Å; S18-L22 WeakPolarHBondContact O-CG 3.27Å; S18-L22 PolarHBondContact O-N 3.35Å
19M56.2Low60.8Low116 Ų11684.6 Ų84.657%0.57146%0.458SS*.Hα-helixtrans-62-37.8171-72.3-177.476.800112V15 S23V15-M19 HydrophobicContact CG1-CG 4.34Å; V15-M19 HydrophobicContact CG1-SD 4.01Å; V15-M19 VanDerWaalsContact O-CB 3.27Å; V15-M19 WeakPolarHBondContact O-CB 3.42Å; V15-M19 VanDerWaalsContact O-CG 3.22Å; V15-M19 WeakPolarHBondContact O-CG 3.31Å; V15-M19 PolarHBondContact O-N 3.26Å; M19-S23 VanDerWaalsContact O-CB 3.27Å; M19-S23 WeakPolarHBondContact O-CB 3.41Å; M19-S23 PolarHBondContact O-N 3.05Å; M19-S23 PolarHBondContact O-OG 3.28Å
20R53.9Low61.4Low172 Ų17289.6 Ų89.665%0.64947%0.469SS*.Hα-helixtrans-64.1-42.9174.4-82.2170.4-168.7-159.26.8111.7L16 Q17 S18 S23 F24 K73L16-R20 WeakPolarHBondContact O-CB 3.43Å; L16-R20 WeakPolarHBondContact O-CD 3.17Å; L16-R20 WeakPolarHBondContact O-CG 3.31Å; L16-R20 PolarHBondContact O-N 3.14Å; Q17-R20 WeakPolarHBondContact O-CB 3.29Å; Q17-R20 PolarHBondContact O-N 2.97Å; S18-R20 VanDerWaalsContact C-N 3.31Å; S18-R20 PolarHBondContact O-N 3.26Å; R20-S23 PolarHBondContact O-OG 3.24Å; R20-F24 WeakPolarHBondContact O-CB 3.2Å; R20-F24 PolarHBondContact O-N 2.99Å; R20-K73 PolarHBondContact O-NZ 2.93Å
21L54.5Low62.3Low87 Ų8785.9 Ų85.946%0.45545%0.45SS..Hα-helixtrans-65.7-56177.2-75.2166.2000111.2Q17 S18 S23 F24 E25 L105Q17-L21 HydrophobicContact CG-CD1 4.21Å; Q17-L21 WeakPolarHBondContact O-CB 3.49Å; Q17-L21 VanDerWaalsContact O-CG 3.32Å; Q17-L21 WeakPolarHBondContact O-CG 3.42Å; Q17-L21 PolarHBondContact O-N 2.88Å; S18-L21 PolarHBondContact O-N 3Å; L21-S23 PolarHBondContact O-N 2.94Å; L21-F24 WeakPolarHBondContact O-CA 3.41Å; L21-F24 WeakPolarHBondContact O-CB 3.12Å; L21-F24 PolarHBondContact O-N 3.24Å; L21-E25 WeakPolarHBondContact O-CG 3.46Å; L21-E25 PolarHBondContact O-N 2.85Å; L21-L105 HydrophobicContact CD2-CD1 4.46Å
22L54.2Low63.4Low110 Ų11081.6 Ų81.658%0.57643%0.434SS*.Hα-helixtrans-54.3-39.5177.6-72.5166.3000112.2S18 G26S18-L22 WeakPolarHBondContact O-CB 3.49Å; S18-L22 VanDerWaalsContact O-CG 3.27Å; S18-L22 WeakPolarHBondContact O-CG 3.27Å; S18-L22 PolarHBondContact O-N 3.35Å; L22-G26 PolarHBondContact O-N 3.26Å
23S54.5Low64.4Low56 Ų5678.3 Ų78.339%0.39242%0.421SS..Hα-helixtrans-79.5-16.6176.660.90000113.5M19 R20 L21 K73M19-S23 VanDerWaalsContact O-CB 3.27Å; M19-S23 WeakPolarHBondContact O-CB 3.41Å; M19-S23 PolarHBondContact O-N 3.05Å; M19-S23 PolarHBondContact O-OG 3.28Å; R20-S23 PolarHBondContact O-OG 3.24Å; L21-S23 PolarHBondContact O-N 2.94Å; S23-K73 VanDerWaalsContact CB-NZ 3.31Å; S23-K73 PolarHBondContact O-NZ 3.47Å; S23-K73 PolarHBondContact OG-NZ 2.69Å
24F55.8Low65.4Low43 Ų4377.5 Ų77.519%0.18941%0.409CS..Hα-helixtrans-82.6-39.8175.4-128.7-77.4000108.6R20 L21 G26 L27 A28 K73 I76 L105 L107R20-F24 WeakPolarHBondContact O-CB 3.2Å; R20-F24 PolarHBondContact O-N 2.99Å; L21-F24 WeakPolarHBondContact O-CA 3.41Å; L21-F24 WeakPolarHBondContact O-CB 3.12Å; L21-F24 PolarHBondContact O-N 3.24Å; F24-G26 VanDerWaalsContact C-N 3.28Å; F24-G26 PolarHBondContact O-N 3Å; F24-L27 PolarHBondContact O-N 3.14Å; F24-A28 WeakPolarHBondContact O-CB 3.39Å; F24-A28 PolarHBondContact O-N 2.64Å; F24-K73 VanDerWaalsContact CA-NZ 3.29Å; F24-K73 HydrophobicContact CD2-CD 4.27Å; F24-K73 HydrophobicContact CD2-CG 4.3Å; F24-K73 HydrophobicContact CE2-CD 4.38Å; F24-K73 VanDerWaalsContact CE2-CE 3.41Å; F24-K73 HydrophobicContact CE2-CG 3.91Å; F24-K73 HydrophobicContact CZ-CG 4.48Å; F24-I76 HydrophobicContact CZ-CD1 4.18Å; F24-L105 HydrophobicContact CB-CD1 4.21Å; F24-L105 HydrophobicContact CD1-CB 4.16Å; F24-L105 WeakPolarHBondContact CD1-O 3.4Å; F24-L105 WeakPolarHBondContact CE1-O 3.17Å; F24-L107 HydrophobicContact CE1-CD1 4.2Å; F24-L107 HydrophobicContact CE1-CG 4.27Å
25E57.2Low66.4Low94 Ų9475.8 Ų75.844%0.43941%0.409SS..Hα-helixtrans-51.6-46.6169.4-69.6171.2-17900111.2L21 L27 A28 S29 L105L21-E25 WeakPolarHBondContact O-CG 3.46Å; L21-E25 PolarHBondContact O-N 2.85Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.43Å; E25-A28 PolarHBondContact O-N 3.43Å; E25-S29 VanDerWaalsContact O-CB 3.26Å; E25-S29 WeakPolarHBondContact O-CB 3.33Å; E25-S29 PolarHBondContact O-N 3.37Å; E25-S29 PolarHBondContact O-OG 2.74Å; E25-L105 HydrophobicContact CG-CD1 3.57Å; E25-L105 HydrophobicContact CG-CD2 4.18Å
26G62.2Low67.7Low51 Ų5174.4 Ų74.453%0.52640%0.399SS..Hα-helixtrans-65.8-23.6178.400000115.5L22 F24 S29L22-G26 PolarHBondContact O-N 3.26Å; F24-G26 VanDerWaalsContact C-N 3.28Å; F24-G26 PolarHBondContact O-N 3Å; G26-S29 PolarHBondContact O-OG 3.36Å
27L63.9Low69.3Low14 Ų1471.3 Ų71.37%0.07338%0.382CS..Hα-helixtrans-87.6-41.1174.2-177.660.9000110.9F24 E25 K30 Y31 R77 L107F24-L27 PolarHBondContact O-N 3.14Å; E25-L27 VanDerWaalsContact C-N 3.29Å; E25-L27 PolarHBondContact O-N 3.43Å; L27-K30 PolarHBondContact O-N 3.39Å; L27-Y31 HydrophobicContact CD1-CE2 3.79Å; L27-Y31 HydrophobicContact CG-CE2 3.87Å; L27-Y31 WeakPolarHBondContact O-CD2 3.48Å; L27-Y31 WeakPolarHBondContact O-CE2 3.5Å; L27-R77 HydrophobicContact CD2-CG 4.34Å; L27-L107 HydrophobicContact CD2-CD1 3.7Å; L27-L107 HydrophobicContact CG-CD1 4.14Å
28A62.2Low70.8Confident3 Ų368 Ų683%0.02537%0.371CS..Hα-helixtrans-65.5-40.4179.100000112.1F24 E25 K30 Y31 S100 L105F24-A28 WeakPolarHBondContact O-CB 3.39Å; F24-A28 PolarHBondContact O-N 2.64Å; E25-A28 PolarHBondContact O-N 3.43Å; A28-K30 PolarHBondContact O-N 2.9Å; A28-Y31 PolarHBondContact O-N 3.1Å; A28-S100 PolarHBondContact O-OG 2.72Å; A28-L105 HydrophobicContact CB-CD2 3.96Å
29S64.6Low72.7Confident99 Ų9970.2 Ų70.269%0.69238%0.378SS*.THydrogen-bonded Turntrans-62.5-14.6-179.862.30000114.9E25 G26E25-S29 VanDerWaalsContact O-CB 3.26Å; E25-S29 WeakPolarHBondContact O-CB 3.33Å; E25-S29 PolarHBondContact O-N 3.37Å; E25-S29 PolarHBondContact O-OG 2.74Å; G26-S29 PolarHBondContact O-OG 3.36Å
30K76.8Confident74.5Confident165 Ų16568.2 Ų68.272%0.71737%0.372SS*.THydrogen-bonded Turntrans-78.6-23.1174.1-170.9-177.7175.2-168.30112.6L27 A28L27-K30 PolarHBondContact O-N 3.39Å; A28-K30 PolarHBondContact O-N 2.9Å
31Y85.2Confident76.4Confident43 Ų4364.6 Ų64.617%0.16936%0.363CS..SBendtrans-101.8152.2-168.2-62.3-53.4000112.2L27 A28 V98 L107L27-Y31 HydrophobicContact CD1-CE2 3.79Å; L27-Y31 HydrophobicContact CG-CE2 3.87Å; L27-Y31 WeakPolarHBondContact O-CD2 3.48Å; L27-Y31 WeakPolarHBondContact O-CE2 3.5Å; A28-Y31 PolarHBondContact O-N 3.1Å; Y31-V98 WeakPolarHBondContact CB-O 3.44Å; Y31-V98 HydrophobicContact CD1-CB 3.64Å; Y31-V98 HydrophobicContact CD1-CG1 3.75Å; Y31-V98 WeakPolarHBondContact CD1-O 3.11Å; Y31-V98 HydrophobicContact CD2-CG1 3.88Å; Y31-V98 HydrophobicContact CE1-CB 3.68Å; Y31-V98 HydrophobicContact CE1-CG1 3.74Å; Y31-V98 HydrophobicContact CE1-CG2 4.35Å; Y31-V98 HydrophobicContact CE2-CG1 3.82Å; Y31-V98 HydrophobicContact CG-CB 4.17Å; Y31-V98 HydrophobicContact CG-CG1 3.83Å; Y31-L107 HydrophobicContact CD2-CD2 3.42Å; Y31-L107 VanDerWaalsContact CD2-CD2 3.42Å; Y31-L107 HydrophobicContact CE2-CD1 4.41Å; Y31-L107 HydrophobicContact CE2-CD2 3.72Å
32S86.1Confident78.3Confident38 Ų3865 Ų6527%0.26636%0.362SS..EExtended strand (participates in β ladder)trans-61.2158173.845.60000111.3E97 V98 V99 S100S32-E97 WeakPolarHBondContact CB-OE2 3.48Å; S32-E97 PolarHBondContact OG-OE2 2.97Å; S32-V98 PolarHBondContact OG-O 3.23Å; S32-V99 CarbonylContact O-C 3.57Å; S32-V99 VanDerWaalsContact O-CA 3.27Å; S32-V99 WeakPolarHBondContact O-CA 3.43Å; S32-V99 VanDerWaalsContact OG-CG1 3.31Å; S32-V99 WeakPolarHBondContact OG-CG1 3.21Å; S32-S100 PolarHBondContact O-N 3.31Å
33D88Confident79.9Confident60 Ų6063.4 Ų63.432%0.32135%0.354SS..EExtended strand (participates in β ladder)trans-78.1131.7-179.2-169.4-11.9000111S35 N36 P102D33-S35 PolarHBondContact O-N 2.65Å; D33-S35 WeakPolarHBondContact OD1-CB 3.19Å; D33-S35 PolarHBondContact OD1-N 3.3Å; D33-S35 PolarHBondContact OD1-OG 2.87Å; D33-S35 WeakPolarHBondContact OD2-CB 3.11Å; D33-S35 PolarHBondContact OD2-OG 3.3Å; D33-N36 PolarHBondContact O-N 2.73Å; D33-N36 PolarHBondContact O-ND2 3.4Å; D33-P102 VanDerWaalsContact OD1-CD 3.31Å; D33-P102 WeakPolarHBondContact OD1-CD 3.43Å
34L88.8Confident81.5Confident36 Ų3662 Ų6219%0.18835%0.348CS..G310 helixtrans-57.5-21.9170.7-177.265.1000112.5N36 Y37 I65 V99 S100 N101 A108L34-N36 PolarHBondContact O-N 2.84Å; L34-N36 VanDerWaalsContact O-N 3.14Å; L34-Y37 PolarHBondContact O-N 3.36Å; L34-I65 HydrophobicContact CD1-CD1 3.97Å; L34-I65 HydrophobicContact CD1-CG2 4.09Å; L34-V99 HydrophobicContact CB-CB 4.43Å; L34-V99 HydrophobicContact CB-CG2 4.22Å; L34-V99 HydrophobicContact CD1-CG2 3.61Å; L34-S100 PolarHBondContact N-O 2.7Å; L34-N101 HydrophobicContact CD2-CB 4.26Å; L34-A108 HydrophobicContact CD1-CB 4.49Å
35S88.5Confident83Confident73 Ų7364 Ų6451%0.5137%0.367SS..G310 helixtrans-61.1-17.7177.470.50000114.6D33 Y37D33-S35 PolarHBondContact O-N 2.65Å; D33-S35 WeakPolarHBondContact OD1-CB 3.19Å; D33-S35 PolarHBondContact OD1-N 3.3Å; D33-S35 PolarHBondContact OD1-OG 2.87Å; D33-S35 WeakPolarHBondContact OD2-CB 3.11Å; D33-S35 PolarHBondContact OD2-OG 3.3Å; S35-Y37 PolarHBondContact O-N 3.45Å
36N91.5Very high84.2Confident53 Ų5361.1 Ų61.128%0.28336%0.363SS..G310 helixtrans-65.9-12.2171.4-66-55.7000113.1D33 L34 R57D33-N36 PolarHBondContact O-N 2.73Å; D33-N36 PolarHBondContact O-ND2 3.4Å; L34-N36 PolarHBondContact O-N 2.84Å; L34-N36 VanDerWaalsContact O-N 3.14Å; N36-R57 VanDerWaalsContact O-CB 3.26Å; N36-R57 WeakPolarHBondContact O-CB 3.46Å; N36-R57 VanDerWaalsContact O-CG 3.27Å; N36-R57 WeakPolarHBondContact O-CG 3.25Å; N36-R57 PolarHBondContact O-N 2.97Å
37Y94.9Very high85.1Confident15 Ų1566.6 Ų66.66%0.05937%0.372CS..EExtended strand (participates in β ladder)trans-112.4139.2-177-62.3-86.2000112L34 S35 I55 D56 R58 V63 I65 E97 V99 V110L34-Y37 PolarHBondContact O-N 3.36Å; S35-Y37 PolarHBondContact O-N 3.45Å; Y37-I55 CarbonylContact C-O 3.59Å; Y37-I55 WeakPolarHBondContact CA-O 3.32Å; Y37-D56 HydrophobicContact CD1-CB 4.06Å; Y37-D56 HydrophobicContact CE1-CB 3.7Å; Y37-D56 VanDerWaalsContact CE1-OD2 3.27Å; Y37-D56 WeakPolarHBondContact CE1-OD2 3.29Å; Y37-D56 PolarHBondContact OH-OD2 3.27Å; Y37-R58 PolarHBondContact OH-NH2 3.03Å; Y37-V63 HydrophobicContact CD1-CG2 3.65Å; Y37-V63 HydrophobicContact CE1-CG2 3.74Å; Y37-I65 HydrophobicContact CD1-CD1 3.91Å; Y37-I65 HydrophobicContact CD2-CD1 4.24Å; Y37-I65 HydrophobicContact CG-CD1 3.61Å; Y37-E97 VanDerWaalsContact OH-CD 3.31Å; Y37-E97 PolarHBondContact OH-OE1 2.66Å; Y37-V99 HydrophobicContact CD2-CG1 4.36Å; Y37-V99 HydrophobicContact CE2-CG1 3.7Å; Y37-V110 HydrophobicContact CE1-CG1 3.78Å; Y37-V110 HydrophobicContact CE1-CG2 4.35Å; Y37-V110 HydrophobicContact CE2-CG2 3.87Å
38C94.6Very high86Confident48 Ų4868.6 Ų68.632%0.32438%0.379SS..EExtended strand (participates in β ladder)trans-101.9112.2170.3-167.70000109.2V40 A54 I55 R57C38-V40 PolarHBondContact O-N 3.17Å; C38-A54 CarbonylContact O-C 3.53Å; C38-A54 WeakPolarHBondContact O-CA 3.3Å; C38-A54 WeakPolarHBondContact O-CB 3.26Å; C38-I55 PolarHBondContact N-O 3.13Å; C38-I55 PolarHBondContact O-N 3.11Å; C38-R57 PolarHBondContact SG-NH2 3.34Å; C38-R57 VanDerWaalsContact SG-NH2 3.42Å
39L93.3Very high87.4Confident99 Ų9968.7 Ų68.752%0.51838%0.38SS..EExtended strand (participates in β ladder)trans-61133.9173.8-61.5-178.4000110F52 A54 I65L39-F52 HydrophobicContact CD2-CB 3.88Å; L39-F52 HydrophobicContact CD2-CG 4.26Å; L39-A54 HydrophobicContact CD2-CB 4.07Å; L39-I65 HydrophobicContact CD2-CD1 4.36Å
40V94Very high88.7Confident73 Ų7365.8 Ų65.844%0.44236%0.356SS..EExtended strand (participates in β ladder)trans-102.6-60.4178.7177.10000109.6C38 E53 I55C38-V40 PolarHBondContact O-N 3.17Å; V40-E53 HydrophobicContact CB-CB 4.25Å; V40-E53 HydrophobicContact CB-CG 4.09Å; V40-E53 HydrophobicContact CG2-CG 4.46Å; V40-E53 PolarHBondContact N-O 2.96Å; V40-I55 HydrophobicContact CG2-CD1 3.71Å; V40-I55 HydrophobicContact CG2-CG1 3.67Å
41Q94Very high89.5Confident97 Ų9759.7 Ų59.745%0.45333%0.333SS..EExtended strand (participates in β ladder)trans-151.4159.3-177.660.2177.42.600112.2L43 F52 E53Q41-L43 HydrophobicContact CG-CD2 4.2Å; Q41-F52 CarbonylContact O-C 3.55Å; Q41-F52 VanDerWaalsContact O-CA 3.3Å; Q41-F52 WeakPolarHBondContact O-CA 3.41Å; Q41-E53 HydrophobicContact CG-CB 3.76Å; Q41-E53 WeakPolarHBondContact CG-OE2 3.49Å; Q41-E53 PolarHBondContact N-O 2.94Å; Q41-E53 PolarHBondContact NE2-OE2 2.89Å; Q41-E53 PolarHBondContact O-N 2.87Å
42H93.4Very high89.9Confident96 Ų9660 Ų6044%0.44434%0.335SS..EExtended strand (participates in β ladder)trans-82.3126172.2179.1-113.1000109.8G44 S45 V51 F52H42-G44 VanDerWaalsContact CE1-C 3.46Å; H42-G44 VanDerWaalsContact NE2-C 3.28Å; H42-G44 PolarHBondContact NE2-O 3.38Å; H42-S45 PolarHBondContact CE1-OG 3.37Å; H42-S45 VanDerWaalsContact CE1-OG 3.25Å; H42-S45 PolarHBondContact NE2-OG 3.03Å; H42-S45 VanDerWaalsContact NE2-OG 3.16Å; H42-V51 PolarHBondContact CD2-O 3.11Å; H42-F52 HydrophobicContact CB-CD1 4.03Å; H42-F52 HydrophobicContact CB-CE1 4.01Å; H42-F52 AromaticContact CD2-CD1 3.94Å; H42-F52 AromaticContact CD2-CE1 3.54Å; H42-F52 AromaticContact CD2-CZ 3.79Å
43L89.2Confident90.4Very high76 Ų7658.5 Ų58.540%0.39832%0.324SS..EExtended strand (participates in β ladder)trans-95.6-36.8-179.8-63.5177.6000111.9Q41 V51 E53 L113Q41-L43 HydrophobicContact CG-CD2 4.2Å; L43-V51 HydrophobicContact CB-CB 4.48Å; L43-V51 HydrophobicContact CB-CG1 4.31Å; L43-V51 HydrophobicContact CD1-CG1 4.28Å; L43-V51 PolarHBondContact N-O 3.28Å; L43-E53 HydrophobicContact CD1-CB 4.01Å; L43-E53 HydrophobicContact CD2-CB 4.13Å; L43-E53 HydrophobicContact CG-CB 4.06Å; L43-L113 HydrophobicContact CD1-CD1 3.96Å
44G86.6Confident90.8Very high26 Ų2655.7 Ų55.727%0.26831%0.309SS..EExtended strand (participates in β ladder)trans178.4156.1179.200000115.2H42 V51H42-G44 VanDerWaalsContact CE1-C 3.46Å; H42-G44 VanDerWaalsContact NE2-C 3.28Å; H42-G44 PolarHBondContact NE2-O 3.38Å; G44-V51 PolarHBondContact N-O 3.16Å; G44-V51 PolarHBondContact O-N 3Å
45S87.7Confident91.2Very high84 Ų8456.1 Ų56.159%0.58731%0.311SS*.EExtended strand (participates in β ladder)trans-113.8128.2178-71.80000111.2H42 D50H42-S45 PolarHBondContact CE1-OG 3.37Å; H42-S45 VanDerWaalsContact CE1-OG 3.25Å; H42-S45 PolarHBondContact NE2-OG 3.03Å; H42-S45 VanDerWaalsContact NE2-OG 3.16Å; S45-D50 WeakPolarHBondContact CA-OD1 3.31Å; S45-D50 VanDerWaalsContact CB-OD1 3.23Å; S45-D50 WeakPolarHBondContact CB-OD1 2.92Å; S45-D50 PolarHBondContact OG-OD1 3.12Å
46G81.8Confident91.5Very high35 Ų3552.9 Ų52.936%0.36129%0.288SS..  trans-114.4176174.400000112.9Y48 S49 K69G46-Y48 PolarHBondContact O-N 3.1Å; G46-S49 CarbonylContact C-O 3.58Å; G46-S49 WeakPolarHBondContact CA-O 3.49Å; G46-S49 PolarHBondContact N-O 2.91Å; G46-K69 PolarHBondContact O-NZ 3.04Å
47K81.4Confident91.7Very high165 Ų16557.7 Ų57.772%0.71730%0.302SS*.SBendtrans-61.8-32.5176.2-177.2175.9174.9-170.40112.7
48Y84.6Confident91.7Very high57 Ų5763.2 Ų63.222%0.22432%0.323CS..SBendtrans-115.5-6.8-171-53.4-64.9000114G46 K69 V71 L176G46-Y48 PolarHBondContact O-N 3.1Å; Y48-K69 WeakPolarHBondContact O-CB 3.49Å; Y48-K69 PolarHBondContact O-N 2.9Å; Y48-V71 HydrophobicContact CD1-CG1 4.11Å; Y48-L176 HydrophobicContact CE2-CD2 3.75Å; Y48-L176 HydrophobicContact CE2-CG 4.23Å
49S90.5Very high91.7Very high5 Ų565.5 Ų65.54%0.03533%0.332CS..EExtended strand (participates in β ladder)trans-161.5166-175.455.80000111.7G46 K66 V67G46-S49 CarbonylContact C-O 3.58Å; G46-S49 WeakPolarHBondContact CA-O 3.49Å; G46-S49 PolarHBondContact N-O 2.91Å; S49-K66 WeakPolarHBondContact OG-CE 3.41Å; S49-V67 CarbonylContact C-O 3.55Å; S49-V67 WeakPolarHBondContact CA-O 3.31Å; S49-V67 WeakPolarHBondContact CB-O 3.46Å
50D92.1Very high91.8Very high37 Ų3766.7 Ų66.720%0.19834%0.339CS..EExtended strand (participates in β ladder)trans-121.7142164.1-57.6-66000107.9S45 F52 K66 V67 K69S45-D50 WeakPolarHBondContact CA-OD1 3.31Å; S45-D50 VanDerWaalsContact CB-OD1 3.23Å; S45-D50 WeakPolarHBondContact CB-OD1 2.92Å; S45-D50 PolarHBondContact OG-OD1 3.12Å; D50-F52 HydrophobicContact CB-CE2 3.71Å; D50-F52 HydrophobicContact CB-CZ 4.11Å; D50-K66 CarbonylContact O-C 3.53Å; D50-V67 PolarHBondContact N-O 3.09Å; D50-V67 PolarHBondContact O-N 3.14Å; D50-K69 VanDerWaalsContact CG-CE 3.46Å; D50-K69 WeakPolarHBondContact OD1-CE 3.36Å; D50-K69 IonicContact OD1-NZ 2.82Å; D50-K69 PolarHBondContact OD1-NZ 2.76Å; D50-K69 WeakPolarHBondContact OD2-CE 3.15Å; D50-K69 IonicContact OD2-NZ 3.76Å; D50-K69 PolarHBondContact OD2-NZ 2.84Å
51V93.5Very high91.8Very high37 Ų3767.6 Ų67.622%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-116.2131.8-173.9-172.30000109H42 L43 G44 A64 I65 K66H42-V51 PolarHBondContact CD2-O 3.11Å; L43-V51 HydrophobicContact CB-CB 4.48Å; L43-V51 HydrophobicContact CB-CG1 4.31Å; L43-V51 HydrophobicContact CD1-CG1 4.28Å; L43-V51 PolarHBondContact N-O 3.28Å; G44-V51 PolarHBondContact N-O 3.16Å; G44-V51 PolarHBondContact O-N 3Å; V51-A64 HydrophobicContact CG1-CB 4.47Å; V51-I65 WeakPolarHBondContact CA-O 3.41Å; V51-K66 HydrophobicContact CG2-CB 4.29Å; V51-K66 HydrophobicContact CG2-CG 4.15Å
52F94.6Very high91.9Very high49 Ų4966.9 Ų66.922%0.21534%0.335CS..EExtended strand (participates in β ladder)trans-127.3147.1-179.3-58.6-95.6000110L39 Q41 H42 D50 A64 I65 V67L39-F52 HydrophobicContact CD2-CB 3.88Å; L39-F52 HydrophobicContact CD2-CG 4.26Å; Q41-F52 CarbonylContact O-C 3.55Å; Q41-F52 VanDerWaalsContact O-CA 3.3Å; Q41-F52 WeakPolarHBondContact O-CA 3.41Å; H42-F52 HydrophobicContact CB-CD1 4.03Å; H42-F52 HydrophobicContact CB-CE1 4.01Å; H42-F52 AromaticContact CD2-CD1 3.94Å; H42-F52 AromaticContact CD2-CE1 3.54Å; H42-F52 AromaticContact CD2-CZ 3.79Å; D50-F52 HydrophobicContact CB-CE2 3.71Å; D50-F52 HydrophobicContact CB-CZ 4.11Å; F52-A64 CarbonylContact O-C 3.48Å; F52-A64 WeakPolarHBondContact O-CA 3.34Å; F52-I65 PolarHBondContact N-O 2.71Å; F52-I65 PolarHBondContact O-N 3.43Å; F52-V67 HydrophobicContact CD2-CG2 3.81Å; F52-V67 HydrophobicContact CE2-CB 4.3Å; F52-V67 HydrophobicContact CE2-CG2 3.81Å
53E95.2Very high92.1Very high8 Ų862.3 Ų62.34%0.03731%0.313CS..EExtended strand (participates in β ladder)trans-77.7138.7159.1-174.9-178.2155.100108.6V40 Q41 L43 H62 L113 Y115V40-E53 HydrophobicContact CB-CB 4.25Å; V40-E53 HydrophobicContact CB-CG 4.09Å; V40-E53 HydrophobicContact CG2-CG 4.46Å; V40-E53 PolarHBondContact N-O 2.96Å; Q41-E53 HydrophobicContact CG-CB 3.76Å; Q41-E53 WeakPolarHBondContact CG-OE2 3.49Å; Q41-E53 PolarHBondContact N-O 2.94Å; Q41-E53 PolarHBondContact NE2-OE2 2.89Å; Q41-E53 PolarHBondContact O-N 2.87Å; L43-E53 HydrophobicContact CD1-CB 4.01Å; L43-E53 HydrophobicContact CD2-CB 4.13Å; L43-E53 HydrophobicContact CG-CB 4.06Å; E53-H62 IonicContact OE1-CE1 3.69Å; E53-H62 PolarHBondContact OE1-CE1 3.21Å; E53-H62 IonicContact OE1-ND1 3.66Å; E53-H62 PolarHBondContact OE1-ND1 3.45Å; E53-L113 HydrophobicContact CG-CD2 3.8Å; E53-Y115 PolarHBondContact OE1-OH 2.86Å; E53-Y115 VanDerWaalsContact OE1-OH 3.13Å; E53-Y115 PolarHBondContact OE2-OH 2.71Å
54A96.2Very high92.3Very high0 Ų059.1 Ų59.10%030%0.298CS..EExtended strand (participates in β ladder)trans-143.2162.2173.500000111.4C38 L39 H62 V63 I65C38-A54 CarbonylContact O-C 3.53Å; C38-A54 WeakPolarHBondContact O-CA 3.3Å; C38-A54 WeakPolarHBondContact O-CB 3.26Å; L39-A54 HydrophobicContact CD2-CB 4.07Å; A54-H62 CarbonylContact O-C 3.54Å; A54-H62 WeakPolarHBondContact O-CA 3.49Å; A54-V63 HydrophobicContact CB-CG2 4.04Å; A54-V63 PolarHBondContact N-O 2.91Å; A54-V63 WeakPolarHBondContact O-CG2 3.28Å; A54-V63 PolarHBondContact O-N 3.13Å; A54-I65 HydrophobicContact CB-CD1 3.39Å; A54-I65 HydrophobicContact CB-CG1 3.82Å
55I96.9Very high92.8Very high46 Ų4657.9 Ų57.924%0.23629%0.285CS..EExtended strand (participates in β ladder)trans-107.6128.4171.6-64163.6000108.5Y37 C38 V40 R57 E61Y37-I55 CarbonylContact C-O 3.59Å; Y37-I55 WeakPolarHBondContact CA-O 3.32Å; C38-I55 PolarHBondContact N-O 3.13Å; C38-I55 PolarHBondContact O-N 3.11Å; V40-I55 HydrophobicContact CG2-CD1 3.71Å; V40-I55 HydrophobicContact CG2-CG1 3.67Å; I55-R57 PolarHBondContact O-N 3.16Å; I55-E61 WeakPolarHBondContact CA-O 3.4Å
56D96.4Very high93.1Very high4 Ų454.3 Ų54.32%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-72117.2169.4-165.5-36.2000110.2Y37 R58 D59 N60 E61Y37-D56 HydrophobicContact CD1-CB 4.06Å; Y37-D56 HydrophobicContact CE1-CB 3.7Å; Y37-D56 VanDerWaalsContact CE1-OD2 3.27Å; Y37-D56 WeakPolarHBondContact CE1-OD2 3.29Å; Y37-D56 PolarHBondContact OH-OD2 3.27Å; D56-R58 PolarHBondContact O-N 3.11Å; D56-R58 WeakPolarHBondContact OD1-CB 3.25Å; D56-R58 WeakPolarHBondContact OD1-CG 3.46Å; D56-R58 IonicContact OD1-CZ 2.75Å; D56-R58 PolarHBondContact OD1-N 2.81Å; D56-R58 IonicContact OD1-NE 3.1Å; D56-R58 PolarHBondContact OD1-NE 3.09Å; D56-R58 IonicContact OD1-NH2 3.81Å; D56-R58 IonicContact OD2-CZ 2.96Å; D56-R58 IonicContact OD2-NE 3.31Å; D56-R58 PolarHBondContact OD2-NE 2.88Å; D56-R58 IonicContact OD2-NH2 3.34Å; D56-R58 PolarHBondContact OD2-NH2 3.47Å; D56-D59 WeakPolarHBondContact CB-OD1 3.4Å; D56-N60 WeakPolarHBondContact O-CA 3.42Å; D56-N60 PolarHBondContact O-N 3.14Å; D56-E61 WeakPolarHBondContact CB-O 3.43Å; D56-E61 PolarHBondContact N-O 3.11Å
57R94.9Very high93.7Very high154 Ų15454.2 Ų54.258%0.58125%0.252SS*.THydrogen-bonded Turntrans-72-11.3-174.9-65.3174.7174.2-83.4-1.8113.5N36 C38 I55N36-R57 VanDerWaalsContact O-CB 3.26Å; N36-R57 WeakPolarHBondContact O-CB 3.46Å; N36-R57 VanDerWaalsContact O-CG 3.27Å; N36-R57 WeakPolarHBondContact O-CG 3.25Å; N36-R57 PolarHBondContact O-N 2.97Å; C38-R57 PolarHBondContact SG-NH2 3.34Å; C38-R57 VanDerWaalsContact SG-NH2 3.42Å; I55-R57 PolarHBondContact O-N 3.16Å
58R94.3Very high94.1Very high131 Ų13146.9 Ų46.949%0.49422%0.22SC..THydrogen-bonded Turntrans-80.9-36.6-174.7-60.2169.6-64.4-176.313.4111.4Y37 D56 E97Y37-R58 PolarHBondContact OH-NH2 3.03Å; D56-R58 PolarHBondContact O-N 3.11Å; D56-R58 WeakPolarHBondContact OD1-CB 3.25Å; D56-R58 WeakPolarHBondContact OD1-CG 3.46Å; D56-R58 IonicContact OD1-CZ 2.75Å; D56-R58 PolarHBondContact OD1-N 2.81Å; D56-R58 IonicContact OD1-NE 3.1Å; D56-R58 PolarHBondContact OD1-NE 3.09Å; D56-R58 IonicContact OD1-NH2 3.81Å; D56-R58 IonicContact OD2-CZ 2.96Å; D56-R58 IonicContact OD2-NE 3.31Å; D56-R58 PolarHBondContact OD2-NE 2.88Å; D56-R58 IonicContact OD2-NH2 3.34Å; D56-R58 PolarHBondContact OD2-NH2 3.47Å; R58-E97 IonicContact CZ-OE1 3.4Å; R58-E97 VanDerWaalsContact CZ-OE1 3.31Å; R58-E97 IonicContact NH1-OE1 3.42Å; R58-E97 PolarHBondContact NH1-OE1 2.91Å; R58-E97 IonicContact NH1-OE2 2.82Å; R58-E97 IonicContact NH2-OE1 3.03Å; R58-E97 PolarHBondContact NH2-OE1 3.37Å
59D95Very high94.2Very high96 Ų9647.4 Ų47.451%0.51322%0.224SC..THydrogen-bonded Turntrans-1341.4-176.255.418000114D56 E61D56-D59 WeakPolarHBondContact CB-OD1 3.4Å; D59-E61 PolarHBondContact O-N 3.27Å; D59-E61 VanDerWaalsContact OD1-CB 3.3Å; D59-E61 WeakPolarHBondContact OD1-CB 3.3Å; D59-E61 PolarHBondContact OD1-N 3.46Å
60N94.6Very high93.7Very high124 Ų12453.6 Ų53.666%0.66326%0.264SS*.  trans62.522.7-175.4-58.7-55.5000114.5D56D56-N60 WeakPolarHBondContact O-CA 3.42Å; D56-N60 PolarHBondContact O-N 3.14Å
61E95.7Very high93.2Very high92 Ų9253.8 Ų53.843%0.4327%0.266SS..  trans-76.5138176.8-159.7-171.1174.300111.7I55 D56 D59 K96I55-E61 WeakPolarHBondContact CA-O 3.4Å; D56-E61 WeakPolarHBondContact CB-O 3.43Å; D56-E61 PolarHBondContact N-O 3.11Å; D59-E61 PolarHBondContact O-N 3.27Å; D59-E61 VanDerWaalsContact OD1-CB 3.3Å; D59-E61 WeakPolarHBondContact OD1-CB 3.3Å; D59-E61 PolarHBondContact OD1-N 3.46Å; E61-K96 IonicContact OE1-NZ 2.8Å; E61-K96 PolarHBondContact OE1-NZ 3.35Å; E61-K96 IonicContact OE2-NZ 2.71Å; E61-K96 PolarHBondContact OE2-NZ 3.3Å
62H95.7Very high92.8Very high82 Ų8254.9 Ų54.938%0.3828%0.275SS..EExtended strand (participates in β ladder)trans-78139.1171.1-74.8-121000111.1E53 A54 L113E53-H62 IonicContact OE1-CE1 3.69Å; E53-H62 PolarHBondContact OE1-CE1 3.21Å; E53-H62 IonicContact OE1-ND1 3.66Å; E53-H62 PolarHBondContact OE1-ND1 3.45Å; A54-H62 CarbonylContact O-C 3.54Å; A54-H62 WeakPolarHBondContact O-CA 3.49Å; H62-L113 HydrophobicContact CB-CD2 3.61Å
63V96.3Very high92.2Very high0 Ų054.3 Ų54.30%027%0.273CS..EExtended strand (participates in β ladder)trans-139.6157.2-176.2-66.30000111.8Y37 A54 I65 K96 V110 M111Y37-V63 HydrophobicContact CD1-CG2 3.65Å; Y37-V63 HydrophobicContact CE1-CG2 3.74Å; A54-V63 HydrophobicContact CB-CG2 4.04Å; A54-V63 PolarHBondContact N-O 2.91Å; A54-V63 WeakPolarHBondContact O-CG2 3.28Å; A54-V63 PolarHBondContact O-N 3.13Å; V63-I65 HydrophobicContact CG2-CD1 4.42Å; V63-I65 HydrophobicContact CG2-CG1 4.08Å; V63-K96 HydrophobicContact CG1-CD 3.94Å; V63-V110 HydrophobicContact CB-CG1 3.86Å; V63-V110 HydrophobicContact CG1-CG1 3.96Å; V63-V110 HydrophobicContact CG2-CG1 3.94Å; V63-M111 WeakPolarHBondContact CB-O 3.38Å
64A95.3Very high92Very high9 Ų963.6 Ų63.67%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-95.9125.7166.100000109.6V51 F52 M111 L113V51-A64 HydrophobicContact CG1-CB 4.47Å; F52-A64 CarbonylContact O-C 3.48Å; F52-A64 WeakPolarHBondContact O-CA 3.34Å; A64-M111 HydrophobicContact CB-CB 4.48Å; A64-M111 HydrophobicContact CB-CE 4.48Å; A64-M111 PolarHBondContact N-O 3.41Å; A64-M111 VanDerWaalsContact N-O 3.08Å; A64-M111 PolarHBondContact O-N 2.99Å; A64-L113 HydrophobicContact CB-CD1 4Å
65I95.5Very high91.7Very high0 Ų067.6 Ų67.60%033%0.325CS..EExtended strand (participates in β ladder)trans-108.5109.8176.1-60.4-171.7000109L34 Y37 L39 V51 F52 A54 V63 V67 A108 V110L34-I65 HydrophobicContact CD1-CD1 3.97Å; L34-I65 HydrophobicContact CD1-CG2 4.09Å; Y37-I65 HydrophobicContact CD1-CD1 3.91Å; Y37-I65 HydrophobicContact CD2-CD1 4.24Å; Y37-I65 HydrophobicContact CG-CD1 3.61Å; L39-I65 HydrophobicContact CD2-CD1 4.36Å; V51-I65 WeakPolarHBondContact CA-O 3.41Å; F52-I65 PolarHBondContact N-O 2.71Å; F52-I65 PolarHBondContact O-N 3.43Å; A54-I65 HydrophobicContact CB-CD1 3.39Å; A54-I65 HydrophobicContact CB-CG1 3.82Å; V63-I65 HydrophobicContact CG2-CD1 4.42Å; V63-I65 HydrophobicContact CG2-CG1 4.08Å; I65-V67 HydrophobicContact CG2-CG2 4.01Å; I65-V67 PolarHBondContact O-N 3.48Å; I65-A108 HydrophobicContact CG2-CB 3.65Å; I65-V110 HydrophobicContact CG1-CG2 4.45Å
66K94.7Very high91.4Very high9 Ų965.7 Ų65.74%0.03932%0.315CS..EExtended strand (participates in β ladder)trans-91.1100.2172.6-178-178.4-173.7-175.10109.4S49 D50 V51 L68 E79 A108 L109 M111 D173S49-K66 WeakPolarHBondContact OG-CE 3.41Å; D50-K66 CarbonylContact O-C 3.53Å; V51-K66 HydrophobicContact CG2-CB 4.29Å; V51-K66 HydrophobicContact CG2-CG 4.15Å; K66-L68 HydrophobicContact CD-CD2 4.25Å; K66-L68 HydrophobicContact CG-CD2 4.12Å; K66-L68 PolarHBondContact O-N 3.24Å; K66-E79 IonicContact NZ-OE1 3.58Å; K66-E79 PolarHBondContact NZ-OE1 3.23Å; K66-A108 CarbonylContact O-C 3.56Å; K66-A108 VanDerWaalsContact O-CA 3.24Å; K66-A108 WeakPolarHBondContact O-CA 3.45Å; K66-L109 HydrophobicContact CB-CB 4.34Å; K66-L109 HydrophobicContact CD-CD1 4.42Å; K66-L109 PolarHBondContact N-O 3.45Å; K66-L109 PolarHBondContact O-N 2.98Å; K66-M111 HydrophobicContact CB-CE 3.55Å; K66-M111 HydrophobicContact CD-CE 4.28Å; K66-D173 IonicContact NZ-OD1 3.4Å; K66-D173 PolarHBondContact NZ-OD1 2.78Å
67V93.5Very high91.2Very high33 Ų3371.8 Ų71.820%0.234%0.338CS..EExtended strand (participates in β ladder)trans-77.8117.9176-175.90000108.7S49 D50 F52 I65 T106 A108S49-V67 CarbonylContact C-O 3.55Å; S49-V67 WeakPolarHBondContact CA-O 3.31Å; S49-V67 WeakPolarHBondContact CB-O 3.46Å; D50-V67 PolarHBondContact N-O 3.09Å; D50-V67 PolarHBondContact O-N 3.14Å; F52-V67 HydrophobicContact CD2-CG2 3.81Å; F52-V67 HydrophobicContact CE2-CB 4.3Å; F52-V67 HydrophobicContact CE2-CG2 3.81Å; I65-V67 HydrophobicContact CG2-CG2 4.01Å; I65-V67 PolarHBondContact O-N 3.48Å; V67-T106 HydrophobicContact CG1-CG2 3.54Å; V67-A108 HydrophobicContact CG2-CB 4.21Å
68L90.8Very high91.3Very high12 Ų1266.2 Ų66.26%0.06332%0.317CS..EExtended strand (participates in β ladder)trans-82.6128.4-174.9-57.1177.7000110.7K66 I76 L107 L109K66-L68 HydrophobicContact CD-CD2 4.25Å; K66-L68 HydrophobicContact CG-CD2 4.12Å; K66-L68 PolarHBondContact O-N 3.24Å; L68-I76 HydrophobicContact CD1-CB 4.4Å; L68-I76 HydrophobicContact CD1-CD1 4.5Å; L68-I76 HydrophobicContact CD1-CG1 4.16Å; L68-I76 HydrophobicContact CD1-CG2 3.63Å; L68-L107 WeakPolarHBondContact CB-O 3.4Å; L68-L107 HydrophobicContact CD1-CB 4.38Å; L68-L107 PolarHBondContact N-O 3.33Å; L68-L109 HydrophobicContact CD1-CD1 4.45Å; L68-L109 HydrophobicContact CD1-CD2 4.31Å; L68-L109 HydrophobicContact CD1-CG 4.17Å; L68-L109 HydrophobicContact CD2-CD1 4.23Å; L68-L109 HydrophobicContact CD2-CG 4.36Å; L68-L109 HydrophobicContact CG-CG 4.4Å
69K87.4Confident91.4Very high67 Ų6760.7 Ų60.729%0.29130%0.297SS..PPolyproline II helixtrans-67.3156.7172.2-68.7176-179.8167.70109.8G46 Y48 D50 V71G46-K69 PolarHBondContact O-NZ 3.04Å; Y48-K69 WeakPolarHBondContact O-CB 3.49Å; Y48-K69 PolarHBondContact O-N 2.9Å; D50-K69 VanDerWaalsContact CG-CE 3.46Å; D50-K69 WeakPolarHBondContact OD1-CE 3.36Å; D50-K69 IonicContact OD1-NZ 2.82Å; D50-K69 PolarHBondContact OD1-NZ 2.76Å; D50-K69 WeakPolarHBondContact OD2-CE 3.15Å; D50-K69 IonicContact OD2-NZ 3.76Å; D50-K69 PolarHBondContact OD2-NZ 2.84Å; K69-V71 PolarHBondContact O-N 3.09Å
70P79.7Confident91.4Very high136 Ų13656.3 Ų56.388%0.88327%0.273SS*.SBendtrans-61.692.8-179.7-21.833000112.4
71V80.3Confident91.5Very high41 Ų4155.8 Ų55.825%0.24827%0.265CS..  trans-117.1170.2173.5-61.40000110Y48 K69 K73 K75 I76Y48-V71 HydrophobicContact CD1-CG1 4.11Å; K69-V71 PolarHBondContact O-N 3.09Å; V71-K73 PolarHBondContact O-N 3.32Å; V71-K75 HydrophobicContact CG2-CB 4.34Å; V71-I76 HydrophobicContact CG2-CD1 4.09Å; V71-I76 HydrophobicContact CG2-CG1 3.67Å
72S85.2Confident91.6Very high59 Ų5951.4 Ų51.441%0.41325%0.245SC..  trans-56135.2179.667.70000111.4R74 K75 I76S72-R74 PolarHBondContact O-N 3.45Å; S72-K75 WeakPolarHBondContact O-CB 3.31Å; S72-K75 PolarHBondContact O-N 3.39Å; S72-K75 VanDerWaalsContact OG-CG 3.31Å; S72-K75 WeakPolarHBondContact OG-CG 3.48Å; S72-K75 PolarHBondContact OG-N 2.99Å; S72-I76 PolarHBondContact O-N 3.09Å
73K82.8Confident91.8Very high37 Ų3747.8 Ų47.816%0.16123%0.228CC..Hα-helixtrans-52.3-33.4177-67.1178.5-177.3177.50113.6R20 S23 F24 V71 K75 I76 R77R20-K73 PolarHBondContact O-NZ 2.93Å; S23-K73 VanDerWaalsContact CB-NZ 3.31Å; S23-K73 PolarHBondContact O-NZ 3.47Å; S23-K73 PolarHBondContact OG-NZ 2.69Å; F24-K73 VanDerWaalsContact CA-NZ 3.29Å; F24-K73 HydrophobicContact CD2-CD 4.27Å; F24-K73 HydrophobicContact CD2-CG 4.3Å; F24-K73 HydrophobicContact CE2-CD 4.38Å; F24-K73 VanDerWaalsContact CE2-CE 3.41Å; F24-K73 HydrophobicContact CE2-CG 3.91Å; F24-K73 HydrophobicContact CZ-CG 4.48Å; V71-K73 PolarHBondContact O-N 3.32Å; K73-K75 VanDerWaalsContact C-N 3.31Å; K73-K75 PolarHBondContact O-N 3.3Å; K73-I76 PolarHBondContact O-N 3.25Å; K73-R77 WeakPolarHBondContact O-CB 3.23Å; K73-R77 WeakPolarHBondContact O-CG 3.37Å; K73-R77 PolarHBondContact O-N 2.83Å
74R90Very high91.8Very high204 Ų20452 Ų5277%0.7725%0.247SC*.Hα-helixtrans-58-43.2175.5-172.917669.7176.92.7111.7S72 R78S72-R74 PolarHBondContact O-N 3.45Å; R74-R78 VanDerWaalsContact O-CB 3.27Å; R74-R78 WeakPolarHBondContact O-CB 3.44Å; R74-R78 PolarHBondContact O-N 3.5Å
75K90.9Very high91.9Very high84 Ų8453.6 Ų53.637%0.36526%0.256SS..Hα-helixtrans-65.9-45.5177-73.7-178.5178.1-170.70111.5V71 S72 K73 R78 E79V71-K75 HydrophobicContact CG2-CB 4.34Å; S72-K75 WeakPolarHBondContact O-CB 3.31Å; S72-K75 PolarHBondContact O-N 3.39Å; S72-K75 VanDerWaalsContact OG-CG 3.31Å; S72-K75 WeakPolarHBondContact OG-CG 3.48Å; S72-K75 PolarHBondContact OG-N 2.99Å; K73-K75 VanDerWaalsContact C-N 3.31Å; K73-K75 PolarHBondContact O-N 3.3Å; K75-R78 PolarHBondContact O-N 3.43Å; K75-E79 PolarHBondContact O-N 3.26Å
76I90.4Very high92.1Very high5 Ų553.6 Ų53.63%0.02626%0.256CS..Hα-helixtrans-61.7-50.4178.7-59.1176.2000111.2F24 L68 V71 S72 K73 R78 E79 I80 L107F24-I76 HydrophobicContact CZ-CD1 4.18Å; L68-I76 HydrophobicContact CD1-CB 4.4Å; L68-I76 HydrophobicContact CD1-CD1 4.5Å; L68-I76 HydrophobicContact CD1-CG1 4.16Å; L68-I76 HydrophobicContact CD1-CG2 3.63Å; V71-I76 HydrophobicContact CG2-CD1 4.09Å; V71-I76 HydrophobicContact CG2-CG1 3.67Å; S72-I76 PolarHBondContact O-N 3.09Å; K73-I76 PolarHBondContact O-N 3.25Å; I76-R78 VanDerWaalsContact C-N 3.25Å; I76-R78 PolarHBondContact O-N 2.82Å; I76-E79 PolarHBondContact O-N 3.05Å; I76-I80 HydrophobicContact CG2-CD1 3.76Å; I76-I80 HydrophobicContact CG2-CG1 4.45Å; I76-I80 WeakPolarHBondContact O-CG1 3.26Å; I76-I80 PolarHBondContact O-N 2.85Å; I76-L107 HydrophobicContact CD1-CD1 4.4Å; I76-L107 HydrophobicContact CG2-CD1 3.73Å
77R92.9Very high92.2Very high133 Ų13358.4 Ų58.450%0.50227%0.274SS..Hα-helixtrans-59.7-37.4178.4-73.6178.5-178.8157.8-0.5112.2L27 K73 K81L27-R77 HydrophobicContact CD2-CG 4.34Å; K73-R77 WeakPolarHBondContact O-CB 3.23Å; K73-R77 WeakPolarHBondContact O-CG 3.37Å; K73-R77 PolarHBondContact O-N 2.83Å; R77-K81 VanDerWaalsContact O-CB 3.27Å; R77-K81 WeakPolarHBondContact O-CB 3.25Å; R77-K81 PolarHBondContact O-N 2.83Å
78R95.9Very high92.3Very high36 Ų3660.1 Ų60.114%0.13630%0.299CS..Hα-helixtrans-66.8-48.2177177.1-178.154.614411.7111.5R74 K75 I76 I80 K81 I82 A177 E178R74-R78 VanDerWaalsContact O-CB 3.27Å; R74-R78 WeakPolarHBondContact O-CB 3.44Å; R74-R78 PolarHBondContact O-N 3.5Å; K75-R78 PolarHBondContact O-N 3.43Å; I76-R78 VanDerWaalsContact C-N 3.25Å; I76-R78 PolarHBondContact O-N 2.82Å; R78-I80 PolarHBondContact O-N 2.92Å; R78-K81 PolarHBondContact O-N 3.19Å; R78-I82 HydrophobicContact CG-CD1 3.89Å; R78-I82 HydrophobicContact CG-CG1 4.49Å; R78-I82 WeakPolarHBondContact O-CB 3.42Å; R78-I82 WeakPolarHBondContact O-CG1 3.42Å; R78-I82 PolarHBondContact O-N 3.2Å; R78-A177 PolarHBondContact NH1-O 3.18Å; R78-E178 WeakPolarHBondContact CD-OE1 3.44Å; R78-E178 WeakPolarHBondContact CD-OE2 3.42Å; R78-E178 IonicContact CZ-OE2 3.01Å; R78-E178 IonicContact NE-OE2 2.66Å; R78-E178 VanDerWaalsContact NH1-CD 3.32Å; R78-E178 IonicContact NH1-OE1 3.83Å; R78-E178 IonicContact NH1-OE2 3.31Å; R78-E178 PolarHBondContact NH1-OE2 3.34Å
79E95.8Very high92.6Very high15 Ų1559.9 Ų59.97%0.0730%0.3CS..Hα-helixtrans-59.5-46.6177.7-178.5174-174.200111.3K66 K75 I76 K81 I82 L83 L109 G175K66-E79 IonicContact NZ-OE1 3.58Å; K66-E79 PolarHBondContact NZ-OE1 3.23Å; K75-E79 PolarHBondContact O-N 3.26Å; I76-E79 PolarHBondContact O-N 3.05Å; E79-K81 PolarHBondContact O-N 3.39Å; E79-I82 PolarHBondContact O-N 3.4Å; E79-L83 HydrophobicContact CG-CD1 4.07Å; E79-L83 WeakPolarHBondContact O-CG 3.14Å; E79-L83 PolarHBondContact O-N 3.35Å; E79-L109 HydrophobicContact CG-CD1 4.13Å; E79-G175 VanDerWaalsContact CD-CA 3.48Å; E79-G175 PolarHBondContact OE1-N 2.91Å; E79-G175 WeakPolarHBondContact OE2-CA 3.49Å
80I95.2Very high93.1Very high5 Ų559.7 Ų59.73%0.02630%0.304CS..Hα-helixtrans-56.5-50.5174.5-67.7167000110.4I76 R78 I82 L83 E84 V98 L109I76-I80 HydrophobicContact CG2-CD1 3.76Å; I76-I80 HydrophobicContact CG2-CG1 4.45Å; I76-I80 WeakPolarHBondContact O-CG1 3.26Å; I76-I80 PolarHBondContact O-N 2.85Å; R78-I80 PolarHBondContact O-N 2.92Å; I80-I82 VanDerWaalsContact C-N 3.3Å; I80-I82 PolarHBondContact O-N 3.39Å; I80-L83 PolarHBondContact O-N 2.86Å; I80-E84 HydrophobicContact CG2-CG 4.23Å; I80-E84 WeakPolarHBondContact O-CB 3.41Å; I80-E84 VanDerWaalsContact O-CG 3.31Å; I80-E84 WeakPolarHBondContact O-CG 3.49Å; I80-E84 PolarHBondContact O-N 3.48Å; I80-V98 HydrophobicContact CD1-CG1 3.93Å; I80-V98 HydrophobicContact CD1-CG2 4.06Å; I80-V98 HydrophobicContact CG1-CG2 3.96Å; I80-V98 HydrophobicContact CG2-CG2 3.91Å; I80-L109 HydrophobicContact CD1-CD2 4.3Å; I80-L109 HydrophobicContact CG1-CD2 3.68Å
81K97.5Very high94Very high113 Ų11354 Ų5449%0.49127%0.266SS..Hα-helixtrans-63.1-36.5-177.9-17757-177.4169.20112.5R77 R78 E79 T85 F179R77-K81 VanDerWaalsContact O-CB 3.27Å; R77-K81 WeakPolarHBondContact O-CB 3.25Å; R77-K81 PolarHBondContact O-N 2.83Å; R78-K81 PolarHBondContact O-N 3.19Å; E79-K81 PolarHBondContact O-N 3.39Å; K81-T85 WeakPolarHBondContact O-CB 3.21Å; K81-T85 PolarHBondContact O-N 3.08Å; K81-T85 PolarHBondContact O-OG1 3.18Å; K81-F179 HydrophobicContact CB-CE2 4.4Å; K81-F179 HydrophobicContact CB-CZ 4.47Å; K81-F179 HydrophobicContact CG-CE2 4.05Å; K81-F179 HydrophobicContact CG-CZ 3.88Å
82I98.6Very high94.8Very high0 Ų052.4 Ų52.40%026%0.256CS..Hα-helixtrans-64.3-52.3175-76.4173.9000110.1R78 E79 I80 E84 T85 L86 I150 F174 A177 F179R78-I82 HydrophobicContact CG-CD1 3.89Å; R78-I82 HydrophobicContact CG-CG1 4.49Å; R78-I82 WeakPolarHBondContact O-CB 3.42Å; R78-I82 WeakPolarHBondContact O-CG1 3.42Å; R78-I82 PolarHBondContact O-N 3.2Å; E79-I82 PolarHBondContact O-N 3.4Å; I80-I82 VanDerWaalsContact C-N 3.3Å; I80-I82 PolarHBondContact O-N 3.39Å; I82-E84 VanDerWaalsContact C-N 3.31Å; I82-E84 PolarHBondContact O-N 3.01Å; I82-T85 WeakPolarHBondContact O-CA 3.37Å; I82-T85 WeakPolarHBondContact O-CB 3.46Å; I82-T85 PolarHBondContact O-N 3.39Å; I82-L86 HydrophobicContact CG2-CD1 3.9Å; I82-L86 WeakPolarHBondContact O-CG 3.42Å; I82-L86 PolarHBondContact O-N 2.86Å; I82-I150 HydrophobicContact CD1-CG2 4.4Å; I82-I150 HydrophobicContact CG1-CD1 4.38Å; I82-I150 HydrophobicContact CG1-CG1 4.38Å; I82-I150 HydrophobicContact CG2-CD1 4.17Å; I82-I150 HydrophobicContact CG2-CG2 3.9Å; I82-F174 HydrophobicContact CG2-CB 4.11Å; I82-F174 HydrophobicContact CG2-CD1 3.74Å; I82-F174 HydrophobicContact CG2-CG 4.2Å; I82-A177 HydrophobicContact CD1-CB 3.63Å; I82-A177 HydrophobicContact CG2-CB 4.19Å; I82-F179 HydrophobicContact CB-CZ 4.42Å; I82-F179 HydrophobicContact CD1-CD2 4.38Å; I82-F179 HydrophobicContact CD1-CE2 4.19Å; I82-F179 HydrophobicContact CG1-CD2 4.06Å; I82-F179 HydrophobicContact CG1-CE1 4.17Å; I82-F179 HydrophobicContact CG1-CE2 3.44Å; I82-F179 VanDerWaalsContact CG1-CE2 3.44Å; I82-F179 HydrophobicContact CG1-CZ 3.5Å; I82-F179 VanDerWaalsContact CG1-CZ 3.5Å
83L98Very high95.3Very high5 Ų549.9 Ų49.93%0.02624%0.238CC..Hα-helixtrans-63.2-36.3179.7-73.4170.5000112.7E79 I80 T85 L86 R87 V93 L95 L109 F174E79-L83 HydrophobicContact CG-CD1 4.07Å; E79-L83 WeakPolarHBondContact O-CG 3.14Å; E79-L83 PolarHBondContact O-N 3.35Å; I80-L83 PolarHBondContact O-N 2.86Å; L83-T85 VanDerWaalsContact C-N 3.35Å; L83-L86 PolarHBondContact O-N 2.93Å; L83-R87 PolarHBondContact O-N 2.94Å; L83-V93 HydrophobicContact CD2-CG1 4.32Å; L83-L95 HydrophobicContact CB-CB 3.89Å; L83-L95 HydrophobicContact CB-CD2 3.73Å; L83-L95 HydrophobicContact CB-CG 4.37Å; L83-L95 HydrophobicContact CD1-CB 4.48Å; L83-L95 HydrophobicContact CD1-CD1 4.48Å; L83-L95 HydrophobicContact CD1-CD2 4.49Å; L83-L109 HydrophobicContact CD1-CD1 3.73Å; L83-F174 HydrophobicContact CD2-CB 4.16Å; L83-F174 HydrophobicContact CD2-CD2 3.63Å; L83-F174 HydrophobicContact CD2-CE2 4.34Å; L83-F174 HydrophobicContact CD2-CG 4.02Å; L83-F174 HydrophobicContact CG-CB 4.34Å
84E97.3Very high95.9Very high88 Ų8851.5 Ų51.541%0.41125%0.247SC..Hα-helixtrans-63.5-40171.1-74.7175.7161.300112.1I80 I82 L86 R87 L95I80-E84 HydrophobicContact CG2-CG 4.23Å; I80-E84 WeakPolarHBondContact O-CB 3.41Å; I80-E84 VanDerWaalsContact O-CG 3.31Å; I80-E84 WeakPolarHBondContact O-CG 3.49Å; I80-E84 PolarHBondContact O-N 3.48Å; I82-E84 VanDerWaalsContact C-N 3.31Å; I82-E84 PolarHBondContact O-N 3.01Å; E84-L86 VanDerWaalsContact C-N 3.34Å; E84-R87 WeakPolarHBondContact O-CB 3.39Å; E84-L95 HydrophobicContact CG-CD2 4.14Å
85T98.3Very high96.2Very high43 Ų4341.8 Ų41.826%0.26421%0.21SC..Hα-helixtrans-68.6-35.6178.6-57.20000111.4K81 I82 L83 H148 I150K81-T85 WeakPolarHBondContact O-CB 3.21Å; K81-T85 PolarHBondContact O-N 3.08Å; K81-T85 PolarHBondContact O-OG1 3.18Å; I82-T85 WeakPolarHBondContact O-CA 3.37Å; I82-T85 WeakPolarHBondContact O-CB 3.46Å; I82-T85 PolarHBondContact O-N 3.39Å; L83-T85 VanDerWaalsContact C-N 3.35Å; T85-H148 HydrophobicContact CG2-CB 4.26Å; T85-I150 HydrophobicContact CG2-CD1 3.98Å
86L98.5Very high96.5Very high0 Ų039.5 Ų39.50%020%0.2CC..THydrogen-bonded Turntrans-911.7-178.9-60.6176.1000114I82 L83 E84 G88 G89 I92 Y144 H148 I150 F174I82-L86 HydrophobicContact CG2-CD1 3.9Å; I82-L86 WeakPolarHBondContact O-CG 3.42Å; I82-L86 PolarHBondContact O-N 2.86Å; L83-L86 PolarHBondContact O-N 2.93Å; E84-L86 VanDerWaalsContact C-N 3.34Å; L86-G88 PolarHBondContact O-N 3.47Å; L86-G89 WeakPolarHBondContact O-CA 3.49Å; L86-G89 PolarHBondContact O-N 3.49Å; L86-I92 HydrophobicContact CB-CG2 4Å; L86-I92 HydrophobicContact CD1-CG2 4.47Å; L86-Y144 HydrophobicContact CB-CE1 4.31Å; L86-Y144 HydrophobicContact CD2-CD1 3.9Å; L86-Y144 HydrophobicContact CD2-CE1 3.81Å; L86-H148 HydrophobicContact CD2-CB 3.91Å; L86-I150 HydrophobicContact CD1-CD1 4.05Å; L86-I150 HydrophobicContact CD1-CG2 4.26Å; L86-I150 HydrophobicContact CD2-CD1 3.67Å; L86-I150 HydrophobicContact CG-CD1 3.68Å; L86-F174 HydrophobicContact CD1-CD1 3.88Å; L86-F174 HydrophobicContact CD1-CE1 3.38Å; L86-F174 HydrophobicContact CD1-CZ 3.94Å
87R96.9Very high96.6Very high110 Ų11041.3 Ų41.342%0.41521%0.209SC..THydrogen-bonded Turntrans-57129.8-176.3-177.2-174.8-70.3-113.91.6111L83 E84 G89 L95 K96L83-R87 PolarHBondContact O-N 2.94Å; E84-R87 WeakPolarHBondContact O-CB 3.39Å; R87-G89 PolarHBondContact O-N 3.48Å; R87-L95 PolarHBondContact NE-O 2.66Å; R87-L95 PolarHBondContact NH1-O 3.43Å; R87-L95 PolarHBondContact NH2-O 2.89Å; R87-K96 PolarHBondContact NH1-O 3.37Å; R87-K96 PolarHBondContact NH2-O 3.11Å
88G95.1Very high96.7Very high69 Ų6935.4 Ų35.471%0.71119%0.188SC*.THydrogen-bonded Turntrans775.3-17700000114.1L86L86-G88 PolarHBondContact O-N 3.47Å
89G97.5Very high96.6Very high8 Ų833.7 Ų33.78%0.08218%0.181CC..  trans-66.2148.7175.700000113.5L86 R87 N91 I92L86-G89 WeakPolarHBondContact O-CA 3.49Å; L86-G89 PolarHBondContact O-N 3.49Å; R87-G89 PolarHBondContact O-N 3.48Å; G89-N91 PolarHBondContact O-N 2.94Å; G89-I92 PolarHBondContact O-N 3.49Å
90V98Very high96.4Very high62 Ų6233.3 Ų33.338%0.37618%0.18SC..THydrogen-bonded Turntrans-58.1124.417857.30000110.3I92 K140 Y144V90-I92 PolarHBondContact O-N 3.13Å; V90-I92 VanDerWaalsContact O-N 3.08Å; V90-K140 HydrophobicContact CG1-CB 4.2Å; V90-K140 HydrophobicContact CG2-CB 4.07Å; V90-K140 HydrophobicContact CG2-CD 4.23Å; V90-Y144 HydrophobicContact CG1-CD2 4.1Å; V90-Y144 HydrophobicContact CG1-CG 4.09Å
91N97.9Very high96Very high17 Ų1735.2 Ų35.29%0.09119%0.19CC..THydrogen-bonded Turntrans56.522.8177.9-58.8-23.1000114.9G89 E137 A141 L169 R170 L171G89-N91 PolarHBondContact O-N 2.94Å; N91-E137 WeakPolarHBondContact ND2-CB 3.3Å; N91-E137 PolarHBondContact ND2-O 2.99Å; N91-E137 PolarHBondContact ND2-OE2 3.46Å; N91-A141 HydrophobicContact CB-CB 3.92Å; N91-L169 HydrophobicContact CB-CD2 4.17Å; N91-L169 WeakPolarHBondContact CB-O 3.35Å; N91-L169 PolarHBondContact OD1-O 2.99Å; N91-R170 CarbonylContact O-C 3.48Å; N91-R170 WeakPolarHBondContact O-CA 3.34Å; N91-L171 PolarHBondContact O-N 3.38Å
92I98Very high95.2Very high7 Ų733.7 Ų33.74%0.03619%0.192CC..BIsolated β-bridgetrans-99.2136172.7-51.8-57.1000109.2L86 G89 V90 M94 A141 Y144 C145 F174L86-I92 HydrophobicContact CB-CG2 4Å; L86-I92 HydrophobicContact CD1-CG2 4.47Å; G89-I92 PolarHBondContact O-N 3.49Å; V90-I92 PolarHBondContact O-N 3.13Å; V90-I92 VanDerWaalsContact O-N 3.08Å; I92-M94 PolarHBondContact O-N 3.06Å; I92-A141 HydrophobicContact CD1-CB 3.9Å; I92-Y144 HydrophobicContact CG1-CD1 4.04Å; I92-C145 VanDerWaalsContact CD1-SG 3.55Å; I92-F174 HydrophobicContact CD1-CZ 4.07Å; I92-F174 HydrophobicContact CG2-CE2 3.91Å; I92-F174 HydrophobicContact CG2-CZ 3.9Å
93V96.2Very high94.5Very high6 Ų640 Ų404%0.03623%0.23CC..  trans-57126.3171.7670000111.2L83 L95 M111 E112 L171 I172 F174L83-V93 HydrophobicContact CD2-CG1 4.32Å; V93-L95 PolarHBondContact O-N 3.37Å; V93-M111 HydrophobicContact CG1-SD 4.37Å; V93-M111 HydrophobicContact CG2-CB 4.06Å; V93-M111 HydrophobicContact CG2-SD 4.26Å; V93-E112 WeakPolarHBondContact CA-OE1 3.45Å; V93-E112 HydrophobicContact CG2-CG 4Å; V93-L171 PolarHBondContact N-O 3.29Å; V93-L171 VanDerWaalsContact N-O 3.14Å; V93-I172 HydrophobicContact CB-CG2 3.87Å; V93-I172 HydrophobicContact CG1-CB 4.44Å; V93-I172 HydrophobicContact CG1-CG2 4.23Å; V93-I172 HydrophobicContact CG2-CG2 4.17Å; V93-F174 HydrophobicContact CG1-CE2 4.38Å
94M95.7Very high93.8Very high71 Ų7143.7 Ų43.735%0.3525%0.253SS..  trans-77.8112.7-179.5-175.8172.759.600111.3I92 K96 M111 E112I92-M94 PolarHBondContact O-N 3.06Å; M94-K96 HydrophobicContact CE-CG 4.31Å; M94-K96 PolarHBondContact O-N 3.49Å; M94-M111 CarbonylContact O-C 3.57Å; M94-M111 VanDerWaalsContact O-CA 3.22Å; M94-M111 WeakPolarHBondContact O-CA 3.32Å; M94-E112 HydrophobicContact CB-CB 4.22Å; M94-E112 HydrophobicContact CB-CG 3.97Å; M94-E112 HydrophobicContact CE-CB 4.24Å; M94-E112 PolarHBondContact N-OE1 3.43Å; M94-E112 PolarHBondContact O-N 3.43Å
95L96.7Very high93.1Very high0 Ų040.9 Ų40.90%024%0.241CC..EExtended strand (participates in β ladder)trans-67119.6160.8177.170.3000108.5L83 E84 R87 V93 E97 V98 L109 M111L83-L95 HydrophobicContact CB-CB 3.89Å; L83-L95 HydrophobicContact CB-CD2 3.73Å; L83-L95 HydrophobicContact CB-CG 4.37Å; L83-L95 HydrophobicContact CD1-CB 4.48Å; L83-L95 HydrophobicContact CD1-CD1 4.48Å; L83-L95 HydrophobicContact CD1-CD2 4.49Å; E84-L95 HydrophobicContact CG-CD2 4.14Å; R87-L95 PolarHBondContact NE-O 2.66Å; R87-L95 PolarHBondContact NH1-O 3.43Å; R87-L95 PolarHBondContact NH2-O 2.89Å; V93-L95 PolarHBondContact O-N 3.37Å; L95-E97 WeakPolarHBondContact CD1-O 3.43Å; L95-V98 HydrophobicContact CD1-CG2 4.44Å; L95-V98 HydrophobicContact CD2-CG2 4.28Å; L95-L109 HydrophobicContact CD1-CB 3.88Å; L95-L109 HydrophobicContact CD1-CD2 4.28Å; L95-M111 HydrophobicContact CD1-CG 4.41Å
96K95.2Very high92.6Very high37 Ų3741 Ų4116%0.16124%0.241CC..EExtended strand (participates in β ladder)trans-83-59.3174.7-67.9-177.4170.9-176.70109.7E61 V63 R87 M94 V110E61-K96 IonicContact OE1-NZ 2.8Å; E61-K96 PolarHBondContact OE1-NZ 3.35Å; E61-K96 IonicContact OE2-NZ 2.71Å; E61-K96 PolarHBondContact OE2-NZ 3.3Å; V63-K96 HydrophobicContact CG1-CD 3.94Å; R87-K96 PolarHBondContact NH1-O 3.37Å; R87-K96 PolarHBondContact NH2-O 3.11Å; M94-K96 HydrophobicContact CE-CG 4.31Å; M94-K96 PolarHBondContact O-N 3.49Å; K96-V110 HydrophobicContact CB-CG1 4.34Å; K96-V110 WeakPolarHBondContact CB-O 3.48Å; K96-V110 PolarHBondContact N-O 2.98Å
97E94.4Very high92.2Very high42 Ų4241.1 Ų41.120%0.19624%0.242CC..EExtended strand (participates in β ladder)trans-153.9170.6178.564.9179.5108.300112.3S32 Y37 R58 L95 V99 V110S32-E97 WeakPolarHBondContact CB-OE2 3.48Å; S32-E97 PolarHBondContact OG-OE2 2.97Å; Y37-E97 VanDerWaalsContact OH-CD 3.31Å; Y37-E97 PolarHBondContact OH-OE1 2.66Å; R58-E97 IonicContact CZ-OE1 3.4Å; R58-E97 VanDerWaalsContact CZ-OE1 3.31Å; R58-E97 IonicContact NH1-OE1 3.42Å; R58-E97 PolarHBondContact NH1-OE1 2.91Å; R58-E97 IonicContact NH1-OE2 2.82Å; R58-E97 IonicContact NH2-OE1 3.03Å; R58-E97 PolarHBondContact NH2-OE1 3.37Å; L95-E97 WeakPolarHBondContact CD1-O 3.43Å; E97-V99 HydrophobicContact CG-CG1 4.12Å; E97-V110 HydrophobicContact CG-CB 3.93Å; E97-V110 HydrophobicContact CG-CG2 3.98Å; E97-V110 PolarHBondContact N-O 3.29Å; E97-V110 PolarHBondContact O-N 2.89Å
98V94.9Very high92.1Very high10 Ų1036 Ų366%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-111.5128.2172.3-178.20000107Y31 S32 I80 L95 L109Y31-V98 WeakPolarHBondContact CB-O 3.44Å; Y31-V98 HydrophobicContact CD1-CB 3.64Å; Y31-V98 HydrophobicContact CD1-CG1 3.75Å; Y31-V98 WeakPolarHBondContact CD1-O 3.11Å; Y31-V98 HydrophobicContact CD2-CG1 3.88Å; Y31-V98 HydrophobicContact CE1-CB 3.68Å; Y31-V98 HydrophobicContact CE1-CG1 3.74Å; Y31-V98 HydrophobicContact CE1-CG2 4.35Å; Y31-V98 HydrophobicContact CE2-CG1 3.82Å; Y31-V98 HydrophobicContact CG-CB 4.17Å; Y31-V98 HydrophobicContact CG-CG1 3.83Å; S32-V98 PolarHBondContact OG-O 3.23Å; I80-V98 HydrophobicContact CD1-CG1 3.93Å; I80-V98 HydrophobicContact CD1-CG2 4.06Å; I80-V98 HydrophobicContact CG1-CG2 3.96Å; I80-V98 HydrophobicContact CG2-CG2 3.91Å; L95-V98 HydrophobicContact CD1-CG2 4.44Å; L95-V98 HydrophobicContact CD2-CG2 4.28Å; V98-L109 HydrophobicContact CG1-CD2 4.24Å; V98-L109 HydrophobicContact CG2-CD2 3.91Å
99V94Very high92.1Very high0 Ų032.7 Ų32.70%019%0.189CC..EExtended strand (participates in β ladder)trans-117.4158.3-179.6-63.80000110.2S32 L34 Y37 E97 A108 V110S32-V99 CarbonylContact O-C 3.57Å; S32-V99 VanDerWaalsContact O-CA 3.27Å; S32-V99 WeakPolarHBondContact O-CA 3.43Å; S32-V99 VanDerWaalsContact OG-CG1 3.31Å; S32-V99 WeakPolarHBondContact OG-CG1 3.21Å; L34-V99 HydrophobicContact CB-CB 4.43Å; L34-V99 HydrophobicContact CB-CG2 4.22Å; L34-V99 HydrophobicContact CD1-CG2 3.61Å; Y37-V99 HydrophobicContact CD2-CG1 4.36Å; Y37-V99 HydrophobicContact CE2-CG1 3.7Å; E97-V99 HydrophobicContact CG-CG1 4.12Å; V99-A108 HydrophobicContact CG2-CB 3.8Å; V99-A108 PolarHBondContact N-O 2.95Å; V99-A108 PolarHBondContact O-N 2.91Å; V99-V110 HydrophobicContact CB-CG2 4.37Å; V99-V110 HydrophobicContact CG1-CG2 3.66Å; V99-V110 HydrophobicContact CG2-CG2 3.78Å
100S91.1Very high92.1Very high7 Ų732.3 Ų32.35%0.04919%0.185CC..EExtended strand (participates in β ladder)trans-129147.5172.576.30000111.3A28 S32 L34 T106A28-S100 PolarHBondContact O-OG 2.72Å; S32-S100 PolarHBondContact O-N 3.31Å; L34-S100 PolarHBondContact N-O 2.7Å; S100-T106 CarbonylContact C-O 3.6Å; S100-T106 WeakPolarHBondContact CA-O 3.14Å
101N87Confident92Very high45 Ų4530.2 Ų30.224%0.24117%0.172CC..  trans-84.2119.2165.1-178.3-52000108.3L34 V103 T104 L105 T106L34-N101 HydrophobicContact CD2-CB 4.26Å; N101-V103 PolarHBondContact O-N 2.86Å; N101-V103 WeakPolarHBondContact OD1-CA 3.38Å; N101-V103 WeakPolarHBondContact OD1-CB 3.3Å; N101-V103 PolarHBondContact OD1-N 3.17Å; N101-T104 VanDerWaalsContact CB-OG1 3.31Å; N101-T104 WeakPolarHBondContact CB-OG1 3.34Å; N101-T104 VanDerWaalsContact CG-OG1 3.28Å; N101-T104 PolarHBondContact OD1-N 3.33Å; N101-L105 WeakPolarHBondContact O-CA 3.48Å; N101-L105 PolarHBondContact O-N 3.38Å; N101-T106 PolarHBondContact N-O 3.47Å
102P79.7Confident91.8Very high81 Ų8131.1 Ų31.153%0.52618%0.175SC..THydrogen-bonded Turntrans-67.6-22-174.626.2-34.5000113.6D33D33-P102 VanDerWaalsContact OD1-CD 3.31Å; D33-P102 WeakPolarHBondContact OD1-CD 3.43Å
103V83.5Confident91.5Very high132 Ų13232.3 Ų32.380%0.818%0.182SC*.THydrogen-bonded Turntrans-88-49-179.4-177.90000110.9N101N101-V103 PolarHBondContact O-N 2.86Å; N101-V103 WeakPolarHBondContact OD1-CA 3.38Å; N101-V103 WeakPolarHBondContact OD1-CB 3.3Å; N101-V103 PolarHBondContact OD1-N 3.17Å
104T84.9Confident90.8Very high83 Ų8333.9 Ų33.951%0.50919%0.191SC..THydrogen-bonded Turntrans-90.4-9.8-175.869.40000113.2N101 T106N101-T104 VanDerWaalsContact CB-OG1 3.31Å; N101-T104 WeakPolarHBondContact CB-OG1 3.34Å; N101-T104 VanDerWaalsContact CG-OG1 3.28Å; N101-T104 PolarHBondContact OD1-N 3.33Å; T104-T106 WeakPolarHBondContact CB-OG1 3.3Å; T104-T106 PolarHBondContact O-N 3.03Å; T104-T106 VanDerWaalsContact O-N 3.08Å; T104-T106 WeakPolarHBondContact OG1-CB 3.24Å; T104-T106 PolarHBondContact OG1-N 3.29Å; T104-T106 PolarHBondContact OG1-OG1 3.06Å
105L82.2Confident89.7Confident28 Ų2836.1 Ų36.115%0.14720%0.197CC..  trans56.217-171.7-53.5176.5000113.6L21 F24 E25 A28 N101 L107L21-L105 HydrophobicContact CD2-CD1 4.46Å; F24-L105 HydrophobicContact CB-CD1 4.21Å; F24-L105 HydrophobicContact CD1-CB 4.16Å; F24-L105 WeakPolarHBondContact CD1-O 3.4Å; F24-L105 WeakPolarHBondContact CE1-O 3.17Å; E25-L105 HydrophobicContact CG-CD1 3.57Å; E25-L105 HydrophobicContact CG-CD2 4.18Å; A28-L105 HydrophobicContact CB-CD2 3.96Å; N101-L105 WeakPolarHBondContact O-CA 3.48Å; N101-L105 PolarHBondContact O-N 3.38Å; L105-L107 PolarHBondContact O-N 3.31Å
106T86.6Confident88.1Confident46 Ų4638.6 Ų38.628%0.28221%0.212SC..  trans-71129.6178.7-53.40000109.3V67 S100 N101 T104V67-T106 HydrophobicContact CG1-CG2 3.54Å; S100-T106 CarbonylContact C-O 3.6Å; S100-T106 WeakPolarHBondContact CA-O 3.14Å; N101-T106 PolarHBondContact N-O 3.47Å; T104-T106 WeakPolarHBondContact CB-OG1 3.3Å; T104-T106 PolarHBondContact O-N 3.03Å; T104-T106 VanDerWaalsContact O-N 3.08Å; T104-T106 WeakPolarHBondContact OG1-CB 3.24Å; T104-T106 PolarHBondContact OG1-N 3.29Å; T104-T106 PolarHBondContact OG1-OG1 3.06Å
107L91.8Very high87.4Confident3 Ų340 Ų402%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-89.2140.2173.9-65.3174.2000110F24 L27 Y31 L68 I76 L105F24-L107 HydrophobicContact CE1-CD1 4.2Å; F24-L107 HydrophobicContact CE1-CG 4.27Å; L27-L107 HydrophobicContact CD2-CD1 3.7Å; L27-L107 HydrophobicContact CG-CD1 4.14Å; Y31-L107 HydrophobicContact CD2-CD2 3.42Å; Y31-L107 VanDerWaalsContact CD2-CD2 3.42Å; Y31-L107 HydrophobicContact CE2-CD1 4.41Å; Y31-L107 HydrophobicContact CE2-CD2 3.72Å; L68-L107 WeakPolarHBondContact CB-O 3.4Å; L68-L107 HydrophobicContact CD1-CB 4.38Å; L68-L107 PolarHBondContact N-O 3.33Å; I76-L107 HydrophobicContact CD1-CD1 4.4Å; I76-L107 HydrophobicContact CG2-CD1 3.73Å; L105-L107 PolarHBondContact O-N 3.31Å
108A94Very high87.1Confident2 Ų241.4 Ų41.42%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-132.5148.3170.500000111L34 I65 K66 V67 V99L34-A108 HydrophobicContact CD1-CB 4.49Å; I65-A108 HydrophobicContact CG2-CB 3.65Å; K66-A108 CarbonylContact O-C 3.56Å; K66-A108 VanDerWaalsContact O-CA 3.24Å; K66-A108 WeakPolarHBondContact O-CA 3.45Å; V67-A108 HydrophobicContact CG2-CB 4.21Å; V99-A108 HydrophobicContact CG2-CB 3.8Å; V99-A108 PolarHBondContact N-O 2.95Å; V99-A108 PolarHBondContact O-N 2.91Å
109L95.5Very high87.1Confident0 Ų041.1 Ų41.10%023%0.231CC..EExtended strand (participates in β ladder)trans-99.5118.7175.9-51.5-179.1000107.8K66 L68 E79 I80 L83 L95 V98 M111K66-L109 HydrophobicContact CB-CB 4.34Å; K66-L109 HydrophobicContact CD-CD1 4.42Å; K66-L109 PolarHBondContact N-O 3.45Å; K66-L109 PolarHBondContact O-N 2.98Å; L68-L109 HydrophobicContact CD1-CD1 4.45Å; L68-L109 HydrophobicContact CD1-CD2 4.31Å; L68-L109 HydrophobicContact CD1-CG 4.17Å; L68-L109 HydrophobicContact CD2-CD1 4.23Å; L68-L109 HydrophobicContact CD2-CG 4.36Å; L68-L109 HydrophobicContact CG-CG 4.4Å; E79-L109 HydrophobicContact CG-CD1 4.13Å; I80-L109 HydrophobicContact CD1-CD2 4.3Å; I80-L109 HydrophobicContact CG1-CD2 3.68Å; L83-L109 HydrophobicContact CD1-CD1 3.73Å; L95-L109 HydrophobicContact CD1-CB 3.88Å; L95-L109 HydrophobicContact CD1-CD2 4.28Å; V98-L109 HydrophobicContact CG1-CD2 4.24Å; V98-L109 HydrophobicContact CG2-CD2 3.91Å; L109-M111 HydrophobicContact CB-CG 4.47Å
110V96.4Very high87.1Confident0 Ų041.9 Ų41.90%024%0.237CC..EExtended strand (participates in β ladder)trans-89.5120.3173.5-174.50000107.7Y37 V63 I65 K96 E97 V99Y37-V110 HydrophobicContact CE1-CG1 3.78Å; Y37-V110 HydrophobicContact CE1-CG2 4.35Å; Y37-V110 HydrophobicContact CE2-CG2 3.87Å; V63-V110 HydrophobicContact CB-CG1 3.86Å; V63-V110 HydrophobicContact CG1-CG1 3.96Å; V63-V110 HydrophobicContact CG2-CG1 3.94Å; I65-V110 HydrophobicContact CG1-CG2 4.45Å; K96-V110 HydrophobicContact CB-CG1 4.34Å; K96-V110 WeakPolarHBondContact CB-O 3.48Å; K96-V110 PolarHBondContact N-O 2.98Å; E97-V110 HydrophobicContact CG-CB 3.93Å; E97-V110 HydrophobicContact CG-CG2 3.98Å; E97-V110 PolarHBondContact N-O 3.29Å; E97-V110 PolarHBondContact O-N 2.89Å; V99-V110 HydrophobicContact CB-CG2 4.37Å; V99-V110 HydrophobicContact CG1-CG2 3.66Å; V99-V110 HydrophobicContact CG2-CG2 3.78Å
111M95.9Very high87.2Confident18 Ų1846.5 Ų46.59%0.08926%0.261CS..EExtended strand (participates in β ladder)trans-123.2162.1-175.2-61.9175.4-61.300110.3V63 A64 K66 V93 M94 L95 L109 L113V63-M111 WeakPolarHBondContact CB-O 3.38Å; A64-M111 HydrophobicContact CB-CB 4.48Å; A64-M111 HydrophobicContact CB-CE 4.48Å; A64-M111 PolarHBondContact N-O 3.41Å; A64-M111 VanDerWaalsContact N-O 3.08Å; A64-M111 PolarHBondContact O-N 2.99Å; K66-M111 HydrophobicContact CB-CE 3.55Å; K66-M111 HydrophobicContact CD-CE 4.28Å; V93-M111 HydrophobicContact CG1-SD 4.37Å; V93-M111 HydrophobicContact CG2-CB 4.06Å; V93-M111 HydrophobicContact CG2-SD 4.26Å; M94-M111 CarbonylContact O-C 3.57Å; M94-M111 VanDerWaalsContact O-CA 3.22Å; M94-M111 WeakPolarHBondContact O-CA 3.32Å; L95-M111 HydrophobicContact CD1-CG 4.41Å; L109-M111 HydrophobicContact CB-CG 4.47Å; M111-L113 PolarHBondContact O-N 3.4Å
112E94.1Very high87.6Confident36 Ų3645.7 Ų45.717%0.16826%0.256CS..EExtended strand (participates in β ladder)trans-53138164.568.7178.7154.100110V93 M94 T114 R170V93-E112 WeakPolarHBondContact CA-OE1 3.45Å; V93-E112 HydrophobicContact CG2-CG 4Å; M94-E112 HydrophobicContact CB-CB 4.22Å; M94-E112 HydrophobicContact CB-CG 3.97Å; M94-E112 HydrophobicContact CE-CB 4.24Å; M94-E112 PolarHBondContact N-OE1 3.43Å; M94-E112 PolarHBondContact O-N 3.43Å; E112-T114 HydrophobicContact CG-CG2 3.99Å; E112-R170 WeakPolarHBondContact OE1-CD 3.5Å; E112-R170 IonicContact OE1-NE 2.76Å; E112-R170 PolarHBondContact OE1-NE 3.17Å; E112-R170 VanDerWaalsContact OE1-NE 3.12Å; E112-R170 IonicContact OE2-NE 3.82Å
113L92Very high88.4Confident32 Ų3241.9 Ų41.917%0.16823%0.231CC..  trans-82.9121.9170.2-174.160.4000108.3L43 E53 H62 A64 M111 Y115L43-L113 HydrophobicContact CD1-CD1 3.96Å; E53-L113 HydrophobicContact CG-CD2 3.8Å; H62-L113 HydrophobicContact CB-CD2 3.61Å; A64-L113 HydrophobicContact CB-CD1 4Å; M111-L113 PolarHBondContact O-N 3.4Å; L113-Y115 HydrophobicContact CD1-CE2 4.46Å; L113-Y115 HydrophobicContact CD2-CD2 4.16Å; L113-Y115 HydrophobicContact CD2-CE2 3.26Å; L113-Y115 WeakPolarHBondContact CD2-OH 3.47Å; L113-Y115 HydrophobicContact CG-CD2 4.06Å; L113-Y115 HydrophobicContact CG-CE2 3.62Å
114T82.4Confident89Confident38 Ų3838.2 Ų38.223%0.23321%0.207CC..  trans-104.4124.3178.354.20000108.6E112 V161 R170E112-T114 HydrophobicContact CG-CG2 3.99Å; T114-V161 HydrophobicContact CG2-CG2 4.07Å; T114-V161 VanDerWaalsContact OG1-CG2 3.26Å; T114-V161 WeakPolarHBondContact OG1-CG2 3.39Å; T114-R170 HydrophobicContact CG2-CB 4.19Å; T114-R170 HydrophobicContact CG2-CG 3.79Å
115Y71Confident89.5Confident119 Ų11942.3 Ų42.347%0.46722%0.22SC..  trans-123.6162.1164.8-66.5-75.9000108.8E53 L113 D163E53-Y115 PolarHBondContact OE1-OH 2.86Å; E53-Y115 VanDerWaalsContact OE1-OH 3.13Å; E53-Y115 PolarHBondContact OE2-OH 2.71Å; L113-Y115 HydrophobicContact CD1-CE2 4.46Å; L113-Y115 HydrophobicContact CD2-CD2 4.16Å; L113-Y115 HydrophobicContact CD2-CE2 3.26Å; L113-Y115 WeakPolarHBondContact CD2-OH 3.47Å; L113-Y115 HydrophobicContact CG-CD2 4.06Å; L113-Y115 HydrophobicContact CG-CE2 3.62Å; Y115-D163 WeakPolarHBondContact O-CB 3.44Å
116P63Low90.2Very high51 Ų5141.3 Ų41.333%0.33122%0.215SC..SBendcis-117.9143.4-1010.314.6000113.2V162 D163P116-V162 CarbonylContact C-O 3.54Å; P116-D163 VanDerWaalsContact CD-CA 3.44Å; P116-D163 VanDerWaalsContact CD-CG 3.43Å; P116-D163 WeakPolarHBondContact CD-OD1 3.48Å
117T81.5Confident90.7Very high67 Ų6742.9 Ų42.941%0.41122%0.221SC..  trans90.6129.8167.6-39.50000115.3D121 I122 V162T117-D121 HydrophobicContact CG2-CB 3.72Å; T117-I122 HydrophobicContact CG2-CG2 3.55Å; T117-V162 PolarHBondContact O-N 3.19Å
118D88.7Confident90.9Very high72 Ų7243.8 Ų43.839%0.38523%0.227SC..BIsolated β-bridgetrans-64.6135.9168.2-73.7-31.1000108.4S120 D121D118-S120 WeakPolarHBondContact CB-OG 3.39Å; D118-S120 PolarHBondContact O-N 2.67Å; D118-S120 VanDerWaalsContact O-N 3.1Å; D118-D121 WeakPolarHBondContact O-CB 3.43Å; D118-D121 PolarHBondContact O-N 3.09Å
119F93.9Very high91.1Very high3 Ų346.6 Ų46.61%0.01324%0.238CC..Hα-helixtrans-59.7-29.2179.7-170.9-113.4000111.6D121 I122 Y123 L126 Y134 P157 I160 V162 M219 M223F119-D121 PolarHBondContact O-N 3.06Å; F119-D121 VanDerWaalsContact O-N 3.16Å; F119-I122 HydrophobicContact CD2-CG1 4.4Å; F119-I122 PolarHBondContact O-N 3.49Å; F119-Y123 HydrophobicContact CD1-CG 4.24Å; F119-Y123 HydrophobicContact CE1-CD2 4.13Å; F119-Y123 HydrophobicContact CE1-CG 4.04Å; F119-Y123 VanDerWaalsContact CZ-CB 3.49Å; F119-Y123 VanDerWaalsContact O-CB 3.24Å; F119-Y123 WeakPolarHBondContact O-CB 3.45Å; F119-Y123 WeakPolarHBondContact O-CD1 3.25Å; F119-Y123 PolarHBondContact O-N 2.93Å; F119-L126 HydrophobicContact CE2-CD1 3.64Å; F119-L126 HydrophobicContact CZ-CD1 3.98Å; F119-Y134 AromaticContact CE2-CD2 3.8Å; F119-Y134 HydrophobicContact CE2-CD2 3.8Å; F119-Y134 AromaticContact CE2-CG 3.82Å; F119-Y134 HydrophobicContact CE2-CG 3.82Å; F119-P157 HydrophobicContact CD1-CB 4.11Å; F119-I160 HydrophobicContact CB-CB 3.86Å; F119-I160 HydrophobicContact CB-CG2 3.81Å; F119-I160 WeakPolarHBondContact CB-O 3.46Å; F119-I160 HydrophobicContact CD1-CG2 4.45Å; F119-I160 HydrophobicContact CG-CB 4.36Å; F119-I160 HydrophobicContact CG-CG2 4.05Å; F119-I160 PolarHBondContact N-O 3.17Å; F119-V162 HydrophobicContact CB-CG1 4.42Å; F119-V162 HydrophobicContact CD2-CG1 3.67Å; F119-V162 HydrophobicContact CD2-CG2 4.43Å; F119-V162 HydrophobicContact CE2-CG1 4.39Å; F119-V162 HydrophobicContact CG-CG1 4.43Å; F119-M219 HydrophobicContact CD1-CE 3.66Å; F119-M219 HydrophobicContact CE1-CE 3.51Å; F119-M223 HydrophobicContact CE1-SD 4.14Å; F119-M223 HydrophobicContact CZ-CE 4.48Å; F119-M223 HydrophobicContact CZ-SD 3.87Å
120S93.5Very high91.2Very high17 Ų1748.4 Ų48.412%0.11925%0.247CC..Hα-helixtrans-55.4-27.6172.952.80000114.2D118 Y123D118-S120 WeakPolarHBondContact CB-OG 3.39Å; D118-S120 PolarHBondContact O-N 2.67Å; D118-S120 VanDerWaalsContact O-N 3.1Å; S120-Y123 WeakPolarHBondContact O-CD1 3.49Å
121D93.7Very high91.3Very high103 Ų10348.5 Ų48.555%0.55125%0.247SC*.Hα-helixtrans-83.5-24.3-174.7-60.8-16.3000112.4T117 D118 F119T117-D121 HydrophobicContact CG2-CB 3.72Å; D118-D121 WeakPolarHBondContact O-CB 3.43Å; D118-D121 PolarHBondContact O-N 3.09Å; F119-D121 PolarHBondContact O-N 3.06Å; F119-D121 VanDerWaalsContact O-N 3.16Å
122I94.9Very high91.4Very high29 Ų2947.8 Ų47.815%0.14924%0.243CC..Hα-helixtrans-117.4-21.1-173.169169.2000114.2T117 F119 L124 E125 L126 V162 H164T117-I122 HydrophobicContact CG2-CG2 3.55Å; F119-I122 HydrophobicContact CD2-CG1 4.4Å; F119-I122 PolarHBondContact O-N 3.49Å; I122-L124 PolarHBondContact O-N 3.27Å; I122-E125 PolarHBondContact O-N 3.06Å; I122-L126 HydrophobicContact CD1-CD2 4Å; I122-L126 HydrophobicContact CG1-CD2 4.31Å; I122-L126 WeakPolarHBondContact O-CG 3.47Å; I122-L126 PolarHBondContact O-N 3.06Å; I122-V162 HydrophobicContact CD1-CG2 3.64Å; I122-V162 HydrophobicContact CG1-CG2 4.46Å; I122-H164 HydrophobicContact CD1-CB 4.38Å
123Y96.3Very high91.5Very high1 Ų147.2 Ų47.20%0.00424%0.24CC..THydrogen-bonded Turntrans-63.5-24.5-164.182.1-60000114.7F119 S120 E125 P157 T222 M223 R226 E228F119-Y123 HydrophobicContact CD1-CG 4.24Å; F119-Y123 HydrophobicContact CE1-CD2 4.13Å; F119-Y123 HydrophobicContact CE1-CG 4.04Å; F119-Y123 VanDerWaalsContact CZ-CB 3.49Å; F119-Y123 VanDerWaalsContact O-CB 3.24Å; F119-Y123 WeakPolarHBondContact O-CB 3.45Å; F119-Y123 WeakPolarHBondContact O-CD1 3.25Å; F119-Y123 PolarHBondContact O-N 2.93Å; S120-Y123 WeakPolarHBondContact O-CD1 3.49Å; Y123-E125 VanDerWaalsContact C-N 3.33Å; Y123-P157 HydrophobicContact CD1-CB 4.43Å; Y123-P157 HydrophobicContact CD2-CG 4.28Å; Y123-P157 HydrophobicContact CE1-CB 4.39Å; Y123-P157 HydrophobicContact CE1-CG 4.27Å; Y123-P157 HydrophobicContact CE2-CG 3.98Å; Y123-T222 HydrophobicContact CE2-CG2 3.71Å; Y123-T222 VanDerWaalsContact OH-CG2 3.27Å; Y123-T222 WeakPolarHBondContact OH-CG2 3.13Å; Y123-M223 HydrophobicContact CD2-CG 3.34Å; Y123-M223 HydrophobicContact CD2-SD 3.8Å; Y123-M223 HydrophobicContact CE2-CG 3.94Å; Y123-M223 HydrophobicContact CG-CG 4.26Å; Y123-M223 HydrophobicContact CG-SD 4.43Å; Y123-R226 PolarHBondContact O-NH1 3.3Å; Y123-E228 WeakPolarHBondContact OH-CG 3.44Å; Y123-E228 PolarHBondContact OH-OE1 3.2Å
124L96.4Very high91.8Very high54 Ų5445.7 Ų45.728%0.28323%0.232SC..THydrogen-bonded Turntrans-79.7-9.9173.8-70.2-172.9000114.6I122 T222 R226 E228I122-L124 PolarHBondContact O-N 3.27Å; L124-T222 HydrophobicContact CD2-CG2 3.89Å; L124-R226 PolarHBondContact O-NE 3.44Å; L124-R226 PolarHBondContact O-NH1 2.94Å; L124-E228 HydrophobicContact CD1-CB 3.97Å; L124-E228 WeakPolarHBondContact CD1-OE2 3.43Å; L124-E228 HydrophobicContact CD2-CB 4.47Å
125E95.3Very high92.6Very high169 Ų16943.9 Ų43.979%0.7922%0.221SC*.THydrogen-bonded Turntrans-105.4-12.7179.7-57.8-171.6167.500112.3I122 Y123I122-E125 PolarHBondContact O-N 3.06Å; Y123-E125 VanDerWaalsContact C-N 3.33Å
126L97.1Very high93.9Very high8 Ų840 Ų404%0.04221%0.206CC..  trans-61.6138-179.4-64.8179.8000112.8F119 I122 H130 I131 Y134 R226F119-L126 HydrophobicContact CE2-CD1 3.64Å; F119-L126 HydrophobicContact CZ-CD1 3.98Å; I122-L126 HydrophobicContact CD1-CD2 4Å; I122-L126 HydrophobicContact CG1-CD2 4.31Å; I122-L126 WeakPolarHBondContact O-CG 3.47Å; I122-L126 PolarHBondContact O-N 3.06Å; L126-H130 HydrophobicContact CB-CB 4.11Å; L126-H130 HydrophobicContact CD1-CB 4.47Å; L126-H130 HydrophobicContact CD2-CB 3.92Å; L126-H130 HydrophobicContact CG-CB 4.38Å; L126-I131 HydrophobicContact CB-CD1 4.48Å; L126-I131 HydrophobicContact CB-CG1 3.76Å; L126-I131 WeakPolarHBondContact O-CD1 3.42Å; L126-Y134 HydrophobicContact CD1-CD2 3.6Å; L126-Y134 HydrophobicContact CD1-CE2 4.03Å; L126-Y134 HydrophobicContact CD2-CE2 4.16Å; L126-R226 PolarHBondContact O-NH2 3.14Å
127N96.9Very high95.6Very high78 Ų7838.1 Ų38.142%0.41719%0.193SC..  trans-73.3171.2170.367.739.1000111.9F129 H130 I131N127-F129 VanDerWaalsContact C-N 3.3Å; N127-F129 PolarHBondContact O-N 3.02Å; N127-F129 WeakPolarHBondContact OD1-CB 3.4Å; N127-F129 PolarHBondContact OD1-N 3.43Å; N127-F129 VanDerWaalsContact OD1-N 3.14Å; N127-H130 PolarHBondContact ND2-CE1 3.46Å; N127-H130 PolarHBondContact ND2-ND1 3.13Å; N127-H130 PolarHBondContact O-N 3.1Å; N127-H130 PolarHBondContact OD1-N 3.11Å; N127-H130 PolarHBondContact OD1-ND1 3.12Å; N127-I131 WeakPolarHBondContact O-CG1 3.42Å; N127-I131 PolarHBondContact O-N 3.45Å
128D97.5Very high96.4Very high23 Ų2335 Ų3512%0.12317%0.174CC..Hα-helixtrans-53.3-43.4-178.8-177.148.1000113.1I131 R132 L290 K292D128-I131 PolarHBondContact O-N 3.07Å; D128-R132 VanDerWaalsContact CG-NE 3.27Å; D128-R132 VanDerWaalsContact O-CG 3.31Å; D128-R132 WeakPolarHBondContact O-CG 3.36Å; D128-R132 PolarHBondContact O-N 2.84Å; D128-R132 IonicContact OD1-CZ 3.24Å; D128-R132 IonicContact OD1-NE 3.75Å; D128-R132 PolarHBondContact OD1-NE 3.3Å; D128-R132 IonicContact OD1-NH2 3.84Å; D128-R132 PolarHBondContact OD1-NH2 3.36Å; D128-R132 IonicContact OD2-CZ 3.43Å; D128-R132 IonicContact OD2-NE 2.99Å; D128-R132 PolarHBondContact OD2-NE 2.86Å; D128-R132 VanDerWaalsContact OD2-NE 3.16Å; D128-R132 IonicContact OD2-NH2 2.69Å; D128-L290 HydrophobicContact CB-CD2 3.76Å; D128-K292 IonicContact OD2-NZ 3.16Å; D128-K292 PolarHBondContact OD2-NZ 3.08Å
129F96.9Very high96.9Very high60 Ų6031.6 Ų31.626%0.26316%0.155SC..Hα-helixtrans-63.4-48.8180176.9-98.3000111.6N127 I131 R132 Y133 M167 L325 E328N127-F129 VanDerWaalsContact C-N 3.3Å; N127-F129 PolarHBondContact O-N 3.02Å; N127-F129 WeakPolarHBondContact OD1-CB 3.4Å; N127-F129 PolarHBondContact OD1-N 3.43Å; N127-F129 VanDerWaalsContact OD1-N 3.14Å; F129-I131 PolarHBondContact O-N 2.75Å; F129-R132 PolarHBondContact O-N 3.09Å; F129-Y133 WeakPolarHBondContact O-CB 3.38Å; F129-Y133 PolarHBondContact O-N 2.73Å; F129-M167 HydrophobicContact CE1-CE 3.92Å; F129-L325 HydrophobicContact CE2-CD1 3.85Å; F129-L325 HydrophobicContact CZ-CD1 3.98Å; F129-E328 WeakPolarHBondContact CE2-OE2 3.36Å; F129-E328 VanDerWaalsContact CZ-OE2 3.31Å; F129-E328 WeakPolarHBondContact CZ-OE2 3.29Å
130H97.1Very high97.1Very high39 Ų3934.1 Ų34.118%0.18117%0.166CC..Hα-helixtrans-66.9-35.3179.6-63.9145.1000112.6L126 N127 Y133 Y134 H164L126-H130 HydrophobicContact CB-CB 4.11Å; L126-H130 HydrophobicContact CD1-CB 4.47Å; L126-H130 HydrophobicContact CD2-CB 3.92Å; L126-H130 HydrophobicContact CG-CB 4.38Å; N127-H130 PolarHBondContact ND2-CE1 3.46Å; N127-H130 PolarHBondContact ND2-ND1 3.13Å; N127-H130 PolarHBondContact O-N 3.1Å; N127-H130 PolarHBondContact OD1-N 3.11Å; N127-H130 PolarHBondContact OD1-ND1 3.12Å; H130-Y133 PolarHBondContact O-N 2.82Å; H130-Y134 HydrophobicContact CB-CD2 4.42Å; H130-Y134 HydrophobicContact CB-CE2 4.34Å; H130-Y134 WeakPolarHBondContact O-CD2 3.34Å; H130-Y134 PolarHBondContact O-N 3Å; H130-H164 AromaticContact CD2-CE1 3.87Å; H130-H164 AromaticContact CE1-CE1 3.58Å; H130-H164 AromaticContact CE1-NE2 3.69Å; H130-H164 AromaticContact CG-CE1 3.71Å; H130-H164 AromaticContact ND1-CE1 3.5Å; H130-H164 AromaticContact ND1-NE2 3.83Å; H130-H164 AromaticContact NE2-CE1 3.84Å
131I98.4Very high97.4Very high1 Ų133.3 Ų33.31%0.00516%0.161CC..Hα-helixtrans-60.7-49.6173.3-67.8165.2000110.1L126 N127 D128 F129 Y133 Y134 I135 L220 M223 L290 Y321L126-I131 HydrophobicContact CB-CD1 4.48Å; L126-I131 HydrophobicContact CB-CG1 3.76Å; L126-I131 WeakPolarHBondContact O-CD1 3.42Å; N127-I131 WeakPolarHBondContact O-CG1 3.42Å; N127-I131 PolarHBondContact O-N 3.45Å; D128-I131 PolarHBondContact O-N 3.07Å; F129-I131 PolarHBondContact O-N 2.75Å; I131-Y133 VanDerWaalsContact C-N 3.32Å; I131-Y133 PolarHBondContact O-N 3.08Å; I131-Y134 PolarHBondContact O-N 3.31Å; I131-I135 HydrophobicContact CG2-CG1 4.49Å; I131-I135 WeakPolarHBondContact O-CB 3.39Å; I131-I135 WeakPolarHBondContact O-CG1 3.4Å; I131-I135 PolarHBondContact O-N 2.81Å; I131-L220 HydrophobicContact CG2-CD1 3.78Å; I131-M223 HydrophobicContact CD1-CB 4.02Å; I131-M223 HydrophobicContact CG1-CB 4.28Å; I131-M223 HydrophobicContact CG1-SD 4.04Å; I131-M223 HydrophobicContact CG2-CB 4.26Å; I131-M223 HydrophobicContact CG2-CE 3.91Å; I131-M223 HydrophobicContact CG2-SD 4.05Å; I131-L290 HydrophobicContact CD1-CD1 4.09Å; I131-L290 HydrophobicContact CD1-CD2 4.01Å; I131-Y321 WeakPolarHBondContact CG2-OH 3.34Å
132R98.2Very high97.6Very high3 Ų328.4 Ų28.41%0.01113%0.134CC..Hα-helixtrans-58.6-45.9177.1-71.7168.1-168.8-105.6-1.7110.9D128 F129 Y136 D294 Y321 F322D128-R132 VanDerWaalsContact CG-NE 3.27Å; D128-R132 VanDerWaalsContact O-CG 3.31Å; D128-R132 WeakPolarHBondContact O-CG 3.36Å; D128-R132 PolarHBondContact O-N 2.84Å; D128-R132 IonicContact OD1-CZ 3.24Å; D128-R132 IonicContact OD1-NE 3.75Å; D128-R132 PolarHBondContact OD1-NE 3.3Å; D128-R132 IonicContact OD1-NH2 3.84Å; D128-R132 PolarHBondContact OD1-NH2 3.36Å; D128-R132 IonicContact OD2-CZ 3.43Å; D128-R132 IonicContact OD2-NE 2.99Å; D128-R132 PolarHBondContact OD2-NE 2.86Å; D128-R132 VanDerWaalsContact OD2-NE 3.16Å; D128-R132 IonicContact OD2-NH2 2.69Å; F129-R132 PolarHBondContact O-N 3.09Å; R132-Y136 WeakPolarHBondContact O-CB 3.5Å; R132-Y136 PolarHBondContact O-N 3.25Å; R132-D294 IonicContact CZ-OD1 3.32Å; R132-D294 IonicContact CZ-OD2 3.91Å; R132-D294 IonicContact NH1-OD1 3.67Å; R132-D294 IonicContact NH1-OD2 3.31Å; R132-D294 PolarHBondContact NH1-OD2 3.5Å; R132-D294 IonicContact NH2-OD1 4Å; R132-D294 PolarHBondContact NH2-OD1 2.96Å; R132-D294 IonicContact NH2-OD2 3.12Å; R132-D294 PolarHBondContact NH2-OD2 3.4Å; R132-Y321 HydrophobicContact CG-CD1 4.42Å; R132-Y321 HydrophobicContact CG-CD2 4.46Å; R132-Y321 HydrophobicContact CG-CE1 3.8Å; R132-Y321 HydrophobicContact CG-CE2 3.84Å; R132-Y321 VanDerWaalsContact CG-CZ 3.46Å; R132-Y321 VanDerWaalsContact NH1-CD2 3.34Å; R132-Y321 PolarHBondContact NH1-O 3.48Å; R132-F322 HydrophobicContact CB-CD1 4.41Å; R132-F322 VanDerWaalsContact O-CE1 3.31Å; R132-F322 WeakPolarHBondContact O-CE1 3.39Å
133Y97.8Very high97.8Very high24 Ų2429.5 Ų29.59%0.09414%0.141CC..Hα-helixtrans-56.7-56.6177.5178.9-95.3000112.1F129 H130 I131 I135 Y136 E137 M167 L325F129-Y133 WeakPolarHBondContact O-CB 3.38Å; F129-Y133 PolarHBondContact O-N 2.73Å; H130-Y133 PolarHBondContact O-N 2.82Å; I131-Y133 VanDerWaalsContact C-N 3.32Å; I131-Y133 PolarHBondContact O-N 3.08Å; Y133-I135 PolarHBondContact O-N 3.37Å; Y133-Y136 WeakPolarHBondContact O-CB 3.4Å; Y133-Y136 PolarHBondContact O-N 2.96Å; Y133-Y136 VanDerWaalsContact O-N 3.13Å; Y133-E137 HydrophobicContact CD1-CG 4.25Å; Y133-E137 HydrophobicContact CE1-CG 3.65Å; Y133-E137 HydrophobicContact CE2-CG 3.97Å; Y133-E137 VanDerWaalsContact CZ-CG 3.46Å; Y133-E137 WeakPolarHBondContact O-CG 3.21Å; Y133-E137 PolarHBondContact O-N 2.81Å; Y133-E137 WeakPolarHBondContact OH-CG 3.48Å; Y133-M167 HydrophobicContact CD1-CE 3.45Å; Y133-M167 VanDerWaalsContact CD1-CE 3.45Å; Y133-M167 HydrophobicContact CD1-SD 4.19Å; Y133-M167 HydrophobicContact CD2-CE 3.61Å; Y133-M167 HydrophobicContact CE1-CB 4.02Å; Y133-M167 HydrophobicContact CE1-CE 3.77Å; Y133-M167 HydrophobicContact CE1-SD 4.26Å; Y133-M167 HydrophobicContact CE2-CE 3.91Å; Y133-M167 HydrophobicContact CG-CE 3.39Å; Y133-M167 PolarHBondContact OH-O 3.12Å; Y133-L325 HydrophobicContact CD2-CD1 3.89Å; Y133-L325 HydrophobicContact CD2-CD2 4.49Å
134Y98Very high98Very high0 Ų032.3 Ų32.30%015%0.151CC..Hα-helixtrans-69.7-35.1-175.2-72.5-57.8000113.6F119 L126 H130 I131 Y136 E137 L138 V162 H164 L169F119-Y134 AromaticContact CE2-CD2 3.8Å; F119-Y134 HydrophobicContact CE2-CD2 3.8Å; F119-Y134 AromaticContact CE2-CG 3.82Å; F119-Y134 HydrophobicContact CE2-CG 3.82Å; L126-Y134 HydrophobicContact CD1-CD2 3.6Å; L126-Y134 HydrophobicContact CD1-CE2 4.03Å; L126-Y134 HydrophobicContact CD2-CE2 4.16Å; H130-Y134 HydrophobicContact CB-CD2 4.42Å; H130-Y134 HydrophobicContact CB-CE2 4.34Å; H130-Y134 WeakPolarHBondContact O-CD2 3.34Å; H130-Y134 PolarHBondContact O-N 3Å; I131-Y134 PolarHBondContact O-N 3.31Å; Y134-Y136 VanDerWaalsContact C-N 3.31Å; Y134-E137 PolarHBondContact O-N 3.47Å; Y134-L138 VanDerWaalsContact O-CB 3.3Å; Y134-L138 WeakPolarHBondContact O-CB 3.27Å; Y134-L138 PolarHBondContact O-N 3.36Å; Y134-V162 HydrophobicContact CD1-CG1 3.76Å; Y134-V162 HydrophobicContact CE1-CB 3.87Å; Y134-V162 HydrophobicContact CE1-CG1 3.53Å; Y134-V162 HydrophobicContact CG-CG1 4.47Å; Y134-H164 AromaticContact CE2-ND1 3.68Å; Y134-H164 AromaticContact CZ-ND1 3.69Å; Y134-H164 VanDerWaalsContact OH-CA 3.27Å; Y134-H164 WeakPolarHBondContact OH-CA 3.48Å; Y134-H164 PolarHBondContact OH-ND1 2.87Å; Y134-L169 HydrophobicContact CD1-CB 4.2Å; Y134-L169 HydrophobicContact CD1-CD1 3.84Å; Y134-L169 HydrophobicContact CG-CD1 4.42Å; Y134-L169 WeakPolarHBondContact O-CD1 3.45Å
135I98.7Very high98.1Very high1 Ų129.7 Ų29.71%0.00514%0.138CC..Hα-helixtrans-65.3-38.5171.6-68-56.5000110.8I131 Y133 L138 L139 M216 L220 M223 F298 F322I131-I135 HydrophobicContact CG2-CG1 4.49Å; I131-I135 WeakPolarHBondContact O-CB 3.39Å; I131-I135 WeakPolarHBondContact O-CG1 3.4Å; I131-I135 PolarHBondContact O-N 2.81Å; Y133-I135 PolarHBondContact O-N 3.37Å; I135-L138 HydrophobicContact CD1-CD2 4.36Å; I135-L138 PolarHBondContact O-N 3.45Å; I135-L139 HydrophobicContact CG2-CD1 4.11Å; I135-L139 HydrophobicContact CG2-CG 4.38Å; I135-L139 WeakPolarHBondContact O-CB 3.34Å; I135-L139 VanDerWaalsContact O-CG 3.25Å; I135-L139 WeakPolarHBondContact O-CG 3.23Å; I135-L139 PolarHBondContact O-N 3.05Å; I135-M216 HydrophobicContact CD1-CG 4.11Å; I135-M216 HydrophobicContact CD1-SD 4.24Å; I135-M216 HydrophobicContact CG2-CG 4.4Å; I135-M216 HydrophobicContact CG2-SD 3.66Å; I135-L220 HydrophobicContact CD1-CB 4.49Å; I135-L220 HydrophobicContact CG1-CD1 4.16Å; I135-M223 HydrophobicContact CD1-CE 3.47Å; I135-M223 VanDerWaalsContact CD1-CE 3.47Å; I135-M223 HydrophobicContact CG1-CE 3.63Å; I135-F298 HydrophobicContact CG2-CE1 4.43Å; I135-F322 HydrophobicContact CB-CE1 4.22Å; I135-F322 HydrophobicContact CB-CZ 4.38Å; I135-F322 HydrophobicContact CG2-CE1 3.99Å; I135-F322 HydrophobicContact CG2-CZ 3.65Å
136Y98.6Very high98.2Very high36 Ų3622.7 Ų22.714%0.14111%0.105CC..Hα-helixtrans-63.5-44.6175.4-168.7-103.5000112.1R132 Y133 Y134 L138 L139 K140 M317 F322 L325R132-Y136 WeakPolarHBondContact O-CB 3.5Å; R132-Y136 PolarHBondContact O-N 3.25Å; Y133-Y136 WeakPolarHBondContact O-CB 3.4Å; Y133-Y136 PolarHBondContact O-N 2.96Å; Y133-Y136 VanDerWaalsContact O-N 3.13Å; Y134-Y136 VanDerWaalsContact C-N 3.31Å; Y136-L138 VanDerWaalsContact C-N 3.34Å; Y136-L138 PolarHBondContact O-N 3.39Å; Y136-L139 WeakPolarHBondContact O-CB 3.46Å; Y136-L139 PolarHBondContact O-N 2.88Å; Y136-K140 HydrophobicContact CE1-CD 4.43Å; Y136-K140 PolarHBondContact O-N 3.39Å; Y136-M317 HydrophobicContact CD2-CB 4.26Å; Y136-M317 HydrophobicContact CD2-CG 4.06Å; Y136-M317 HydrophobicContact CE2-CB 3.63Å; Y136-M317 HydrophobicContact CE2-CG 3.8Å; Y136-M317 WeakPolarHBondContact CE2-O 3.39Å; Y136-M317 HydrophobicContact CE2-SD 4.45Å; Y136-F322 HydrophobicContact CD2-CB 3.83Å; Y136-F322 AromaticContact CD2-CD1 3.7Å; Y136-F322 HydrophobicContact CD2-CD1 3.7Å; Y136-F322 HydrophobicContact CD2-CD2 4.07Å; Y136-F322 HydrophobicContact CD2-CE1 4.28Å; Y136-F322 AromaticContact CD2-CG 3.59Å; Y136-F322 HydrophobicContact CD2-CG 3.59Å; Y136-F322 HydrophobicContact CE2-CB 4.14Å; Y136-F322 HydrophobicContact CE2-CG 4.28Å; Y136-F322 HydrophobicContact CG-CD1 4.17Å; Y136-F322 HydrophobicContact CG-CG 4.47Å; Y136-L325 HydrophobicContact CD1-CD2 3.72Å; Y136-L325 HydrophobicContact CD2-CD2 4.31Å; Y136-L325 HydrophobicContact CE1-CD2 4.48Å; Y136-L325 HydrophobicContact CG-CD2 3.61Å
137E98.2Very high98.3Very high13 Ų1326.2 Ų26.26%0.06114%0.135CC..Hα-helixtrans-65.5-36.2176-68.6-50.7117.900112.7N91 Y133 Y134 K140 A141 L169N91-E137 WeakPolarHBondContact ND2-CB 3.3Å; N91-E137 PolarHBondContact ND2-O 2.99Å; N91-E137 PolarHBondContact ND2-OE2 3.46Å; Y133-E137 HydrophobicContact CD1-CG 4.25Å; Y133-E137 HydrophobicContact CE1-CG 3.65Å; Y133-E137 HydrophobicContact CE2-CG 3.97Å; Y133-E137 VanDerWaalsContact CZ-CG 3.46Å; Y133-E137 WeakPolarHBondContact O-CG 3.21Å; Y133-E137 PolarHBondContact O-N 2.81Å; Y133-E137 WeakPolarHBondContact OH-CG 3.48Å; Y134-E137 PolarHBondContact O-N 3.47Å; E137-K140 WeakPolarHBondContact O-CB 3.5Å; E137-K140 PolarHBondContact O-N 3.14Å; E137-K140 WeakPolarHBondContact OE1-CE 3.24Å; E137-K140 IonicContact OE1-NZ 3.52Å; E137-K140 PolarHBondContact OE1-NZ 2.95Å; E137-K140 IonicContact OE2-NZ 3.49Å; E137-K140 PolarHBondContact OE2-NZ 3.31Å; E137-A141 PolarHBondContact O-N 3.38Å; E137-L169 HydrophobicContact CB-CB 3.87Å; E137-L169 HydrophobicContact CB-CD1 4.27Å; E137-L169 HydrophobicContact CB-CG 4.45Å
138L98.8Very high98.4Very high2 Ų226.1 Ų26.11%0.0113%0.132CC..Hα-helixtrans-65-42.2171.7177.360.7000111.1Y134 I135 Y136 K140 A141 L142 V155 I160 L169 L171 M216Y134-L138 VanDerWaalsContact O-CB 3.3Å; Y134-L138 WeakPolarHBondContact O-CB 3.27Å; Y134-L138 PolarHBondContact O-N 3.36Å; I135-L138 HydrophobicContact CD1-CD2 4.36Å; I135-L138 PolarHBondContact O-N 3.45Å; Y136-L138 VanDerWaalsContact C-N 3.34Å; Y136-L138 PolarHBondContact O-N 3.39Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.36Å; L138-A141 WeakPolarHBondContact O-CB 3.25Å; L138-A141 PolarHBondContact O-N 3.34Å; L138-A141 VanDerWaalsContact O-N 3.11Å; L138-L142 HydrophobicContact CD1-CG 4.3Å; L138-L142 HydrophobicContact CG-CD1 4.28Å; L138-L142 HydrophobicContact CG-CG 4.44Å; L138-L142 WeakPolarHBondContact O-CG 3.15Å; L138-L142 PolarHBondContact O-N 3.02Å; L138-V155 HydrophobicContact CD1-CG1 4.34Å; L138-V155 HydrophobicContact CD2-CG1 4.07Å; L138-I160 HydrophobicContact CD1-CD1 3.93Å; L138-I160 HydrophobicContact CD1-CG1 4.3Å; L138-I160 HydrophobicContact CD2-CD1 3.77Å; L138-I160 HydrophobicContact CG-CD1 4.44Å; L138-L169 HydrophobicContact CB-CD1 4.27Å; L138-L169 HydrophobicContact CB-CD2 4.46Å; L138-L171 HydrophobicContact CD1-CD1 4.14Å; L138-M216 HydrophobicContact CD2-CB 4.18Å; L138-M216 HydrophobicContact CD2-CG 3.69Å; L138-M216 HydrophobicContact CG-CG 4.44Å
139L98.9Very high98.4Very high0 Ų025.8 Ų25.80%013%0.134CC..Hα-helixtrans-60.7-37.9175.5-76.7168.7000112I135 Y136 L142 D143 I213 M216 F298 A313 A316 M317 F322I135-L139 HydrophobicContact CG2-CD1 4.11Å; I135-L139 HydrophobicContact CG2-CG 4.38Å; I135-L139 WeakPolarHBondContact O-CB 3.34Å; I135-L139 VanDerWaalsContact O-CG 3.25Å; I135-L139 WeakPolarHBondContact O-CG 3.23Å; I135-L139 PolarHBondContact O-N 3.05Å; Y136-L139 WeakPolarHBondContact O-CB 3.46Å; Y136-L139 PolarHBondContact O-N 2.88Å; L139-L142 PolarHBondContact O-N 3.4Å; L139-D143 VanDerWaalsContact O-CB 3.26Å; L139-D143 WeakPolarHBondContact O-CB 3.4Å; L139-D143 PolarHBondContact O-N 3.19Å; L139-I213 HydrophobicContact CD2-CD1 4.38Å; L139-M216 HydrophobicContact CD2-CE 3.8Å; L139-M216 HydrophobicContact CG-CE 4.48Å; L139-F298 HydrophobicContact CD1-CZ 4.25Å; L139-A313 HydrophobicContact CD2-CB 4.24Å; L139-A316 HydrophobicContact CD1-CB 3.78Å; L139-A316 HydrophobicContact CD2-CB 3.71Å; L139-A316 HydrophobicContact CG-CB 4.41Å; L139-M317 HydrophobicContact CB-CG 3.62Å; L139-M317 HydrophobicContact CB-SD 4.21Å; L139-M317 HydrophobicContact CD1-CG 4.16Å; L139-M317 HydrophobicContact CG-CG 4.5Å; L139-F322 HydrophobicContact CD1-CE1 4.45Å; L139-F322 HydrophobicContact CD1-CE2 3.54Å; L139-F322 HydrophobicContact CD1-CZ 3.48Å; L139-F322 VanDerWaalsContact CD1-CZ 3.48Å
140K98.8Very high98.5Very high56 Ų5622.9 Ų22.924%0.24312%0.121CC..Hα-helixtrans-60.3-43.8171.9-68.6176.3-176.9168.80112.1V90 Y136 E137 L138 Y144 M317V90-K140 HydrophobicContact CG1-CB 4.2Å; V90-K140 HydrophobicContact CG2-CB 4.07Å; V90-K140 HydrophobicContact CG2-CD 4.23Å; Y136-K140 HydrophobicContact CE1-CD 4.43Å; Y136-K140 PolarHBondContact O-N 3.39Å; E137-K140 WeakPolarHBondContact O-CB 3.5Å; E137-K140 PolarHBondContact O-N 3.14Å; E137-K140 WeakPolarHBondContact OE1-CE 3.24Å; E137-K140 IonicContact OE1-NZ 3.52Å; E137-K140 PolarHBondContact OE1-NZ 2.95Å; E137-K140 IonicContact OE2-NZ 3.49Å; E137-K140 PolarHBondContact OE2-NZ 3.31Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 3.36Å; K140-Y144 WeakPolarHBondContact O-CB 3.16Å; K140-Y144 PolarHBondContact O-N 2.85Å; K140-M317 HydrophobicContact CB-SD 4.37Å; K140-M317 HydrophobicContact CG-SD 3.62Å
141A98.8Very high98.6Very high0 Ų021 Ų210%011%0.113CC..Hα-helixtrans-61.7-45.6176.900000111.4N91 I92 E137 L138 Y144 C145 L171N91-A141 HydrophobicContact CB-CB 3.92Å; I92-A141 HydrophobicContact CD1-CB 3.9Å; E137-A141 PolarHBondContact O-N 3.38Å; L138-A141 WeakPolarHBondContact O-CB 3.25Å; L138-A141 PolarHBondContact O-N 3.34Å; L138-A141 VanDerWaalsContact O-N 3.11Å; A141-Y144 PolarHBondContact O-N 2.9Å; A141-C145 PolarHBondContact O-N 3.15Å; A141-C145 PolarHBondContact O-SG 3.43Å; A141-L171 HydrophobicContact CB-CB 4.13Å; A141-L171 HydrophobicContact CB-CD2 4.24Å
142L98.9Very high98.6Very high0 Ų021 Ų210%011%0.113CC..Hα-helixtrans-66.3-45179-66-178.7000112L138 L139 Y144 C145 H146 V155 L171 D212 I213 M216 A313L138-L142 HydrophobicContact CD1-CG 4.3Å; L138-L142 HydrophobicContact CG-CD1 4.28Å; L138-L142 HydrophobicContact CG-CG 4.44Å; L138-L142 WeakPolarHBondContact O-CG 3.15Å; L138-L142 PolarHBondContact O-N 3.02Å; L139-L142 PolarHBondContact O-N 3.4Å; L142-Y144 VanDerWaalsContact C-N 3.28Å; L142-Y144 PolarHBondContact O-N 3.19Å; L142-C145 WeakPolarHBondContact O-CB 3.27Å; L142-C145 PolarHBondContact O-N 3.24Å; L142-C145 VanDerWaalsContact O-N 3.12Å; L142-H146 WeakPolarHBondContact O-CB 3.36Å; L142-H146 PolarHBondContact O-CD2 2.92Å; L142-H146 VanDerWaalsContact O-CD2 3.25Å; L142-H146 PolarHBondContact O-N 2.79Å; L142-H146 PolarHBondContact O-ND1 3.11Å; L142-V155 HydrophobicContact CD2-CG2 3.84Å; L142-L171 HydrophobicContact CD2-CD2 3.95Å; L142-D212 HydrophobicContact CD1-CB 4.21Å; L142-D212 HydrophobicContact CD2-CB 3.93Å; L142-I213 HydrophobicContact CD1-CD1 4.43Å; L142-M216 HydrophobicContact CD1-CB 4.36Å; L142-A313 HydrophobicContact CB-CB 4.28Å
143D98.8Very high98.6Very high52 Ų5221.2 Ų21.228%0.27811%0.114SC..Hα-helixtrans-57.9-43176-167.659.6000111.2L139 H146 A147 A313 S314 M317L139-D143 VanDerWaalsContact O-CB 3.26Å; L139-D143 WeakPolarHBondContact O-CB 3.4Å; L139-D143 PolarHBondContact O-N 3.19Å; D143-H146 PolarHBondContact O-N 3.11Å; D143-A147 VanDerWaalsContact O-CB 3.25Å; D143-A147 WeakPolarHBondContact O-CB 3.12Å; D143-A147 PolarHBondContact O-N 2.95Å; D143-A313 HydrophobicContact CB-CB 3.75Å; D143-S314 WeakPolarHBondContact OD1-CA 3.49Å; D143-S314 VanDerWaalsContact OD1-CB 3.31Å; D143-S314 WeakPolarHBondContact OD1-CB 3.48Å; D143-S314 PolarHBondContact OD1-N 3.22Å; D143-M317 HydrophobicContact CB-CE 3.6Å
144Y98.8Very high98.6Very high59 Ų5920.6 Ų20.623%0.23111%0.112CC..Hα-helixtrans-62.8-43.2174.7-172.8-91.4000112.7L86 V90 I92 K140 A141 L142 H148L86-Y144 HydrophobicContact CB-CE1 4.31Å; L86-Y144 HydrophobicContact CD2-CD1 3.9Å; L86-Y144 HydrophobicContact CD2-CE1 3.81Å; V90-Y144 HydrophobicContact CG1-CD2 4.1Å; V90-Y144 HydrophobicContact CG1-CG 4.09Å; I92-Y144 HydrophobicContact CG1-CD1 4.04Å; K140-Y144 WeakPolarHBondContact O-CB 3.16Å; K140-Y144 PolarHBondContact O-N 2.85Å; A141-Y144 PolarHBondContact O-N 2.9Å; L142-Y144 VanDerWaalsContact C-N 3.28Å; L142-Y144 PolarHBondContact O-N 3.19Å; Y144-H148 AromaticContact CD1-ND1 3.91Å; Y144-H148 AromaticContact CD2-CE1 3.97Å; Y144-H148 AromaticContact CE1-CE1 3.67Å; Y144-H148 AromaticContact CE1-ND1 3.67Å; Y144-H148 AromaticContact CE2-CE1 3.43Å; Y144-H148 VanDerWaalsContact CE2-CE1 3.43Å; Y144-H148 WeakPolarHBondContact CE2-CE1 3.49Å; Y144-H148 AromaticContact CZ-CE1 3.24Å; Y144-H148 AromaticContact CZ-ND1 3.74Å; Y144-H148 PolarHBondContact O-N 3.08Å; Y144-H148 PolarHBondContact O-ND1 3.27Å
145C98.9Very high98.6Very high0 Ų020.6 Ų20.60%011%0.112CC..Hα-helixtrans-61.6-47.5175.1-67.20000111.6I92 A141 L142 A147 H148 G149 I150I92-C145 VanDerWaalsContact CD1-SG 3.55Å; A141-C145 PolarHBondContact O-N 3.15Å; A141-C145 PolarHBondContact O-SG 3.43Å; L142-C145 WeakPolarHBondContact O-CB 3.27Å; L142-C145 PolarHBondContact O-N 3.24Å; L142-C145 VanDerWaalsContact O-N 3.12Å; C145-A147 PolarHBondContact O-N 3.22Å; C145-H148 CarbonylContact O-C 3.53Å; C145-H148 PolarHBondContact O-N 2.88Å; C145-H148 VanDerWaalsContact O-N 3.09Å; C145-G149 PolarHBondContact O-N 2.92Å; C145-I150 CarbonylContact C-O 3.58Å; C145-I150 PolarHBondContact O-N 2.98Å
146H98.7Very high98.6Very high22 Ų2221.7 Ų21.710%0.10212%0.117CC..Hα-helixtrans-65-39.9-177.4-61.1171.7000111L142 D143 H148 G149 I150 Y209 D212L142-H146 WeakPolarHBondContact O-CB 3.36Å; L142-H146 PolarHBondContact O-CD2 2.92Å; L142-H146 VanDerWaalsContact O-CD2 3.25Å; L142-H146 PolarHBondContact O-N 2.79Å; L142-H146 PolarHBondContact O-ND1 3.11Å; D143-H146 PolarHBondContact O-N 3.11Å; H146-H148 PolarHBondContact O-N 3.11Å; H146-G149 PolarHBondContact O-N 3.17Å; H146-I150 PolarHBondContact CD2-O 3.49Å; H146-Y209 HydrophobicContact CB-CD1 3.95Å; H146-Y209 HydrophobicContact CB-CD2 4.48Å; H146-Y209 HydrophobicContact CB-CE1 4.43Å; H146-Y209 HydrophobicContact CB-CG 3.99Å; H146-Y209 AromaticContact CD2-CD1 3.56Å; H146-Y209 AromaticContact CD2-CG 3.91Å; H146-Y209 PolarHBondContact CE1-O 2.9Å; H146-Y209 AromaticContact CG-CD1 3.81Å; H146-Y209 AromaticContact CG-CG 3.8Å; H146-D212 IonicContact CD2-OD2 3.91Å; H146-D212 IonicContact NE2-OD2 2.65Å; H146-D212 PolarHBondContact NE2-OD2 3.11Å
147A98.4Very high98.5Very high81 Ų8120 Ų2067%0.66911%0.11SC*.Hα-helixtrans-61.3-27.4173.700000113.4D143 C145 G149D143-A147 VanDerWaalsContact O-CB 3.25Å; D143-A147 WeakPolarHBondContact O-CB 3.12Å; D143-A147 PolarHBondContact O-N 2.95Å; C145-A147 PolarHBondContact O-N 3.22Å; A147-G149 VanDerWaalsContact C-N 3.34Å
148H98.6Very high98.3Very high76 Ų7625.7 Ų25.735%0.35213%0.132SC..THydrogen-bonded Turntrans-93.611.3173.7-68.985.9000113.4T85 L86 Y144 C145 H146 I150T85-H148 HydrophobicContact CG2-CB 4.26Å; L86-H148 HydrophobicContact CD2-CB 3.91Å; Y144-H148 AromaticContact CD1-ND1 3.91Å; Y144-H148 AromaticContact CD2-CE1 3.97Å; Y144-H148 AromaticContact CE1-CE1 3.67Å; Y144-H148 AromaticContact CE1-ND1 3.67Å; Y144-H148 AromaticContact CE2-CE1 3.43Å; Y144-H148 VanDerWaalsContact CE2-CE1 3.43Å; Y144-H148 WeakPolarHBondContact CE2-CE1 3.49Å; Y144-H148 AromaticContact CZ-CE1 3.24Å; Y144-H148 AromaticContact CZ-ND1 3.74Å; Y144-H148 PolarHBondContact O-N 3.08Å; Y144-H148 PolarHBondContact O-ND1 3.27Å; C145-H148 CarbonylContact O-C 3.53Å; C145-H148 PolarHBondContact O-N 2.88Å; C145-H148 VanDerWaalsContact O-N 3.09Å; H146-H148 PolarHBondContact O-N 3.11Å; H148-I150 HydrophobicContact CB-CD1 4.17Å
149G98.3Very high98.1Very high16 Ų1626 Ų2617%0.16513%0.134CC..THydrogen-bonded Turntrans70.729.1177.600000113.9C145 H146 A147 F179 Y180 Y209C145-G149 PolarHBondContact O-N 2.92Å; H146-G149 PolarHBondContact O-N 3.17Å; A147-G149 VanDerWaalsContact C-N 3.34Å; G149-F179 CarbonylContact O-C 3.54Å; G149-F179 WeakPolarHBondContact O-CA 3.41Å; G149-Y180 PolarHBondContact O-N 2.75Å; G149-Y209 WeakPolarHBondContact CA-OH 3.46Å
150I98.8Very high98Very high0 Ų026.1 Ų26.10%013%0.134CC..EExtended strand (participates in β ladder)trans-118.2132-175.9-68.2157.4000110.4I82 T85 L86 C145 H146 H148 A177 E178 F179I82-I150 HydrophobicContact CD1-CG2 4.4Å; I82-I150 HydrophobicContact CG1-CD1 4.38Å; I82-I150 HydrophobicContact CG1-CG1 4.38Å; I82-I150 HydrophobicContact CG2-CD1 4.17Å; I82-I150 HydrophobicContact CG2-CG2 3.9Å; T85-I150 HydrophobicContact CG2-CD1 3.98Å; L86-I150 HydrophobicContact CD1-CD1 4.05Å; L86-I150 HydrophobicContact CD1-CG2 4.26Å; L86-I150 HydrophobicContact CD2-CD1 3.67Å; L86-I150 HydrophobicContact CG-CD1 3.68Å; C145-I150 CarbonylContact C-O 3.58Å; C145-I150 PolarHBondContact O-N 2.98Å; H146-I150 PolarHBondContact CD2-O 3.49Å; H148-I150 HydrophobicContact CB-CD1 4.17Å; I150-A177 HydrophobicContact CG2-CB 4.34Å; I150-E178 WeakPolarHBondContact CA-O 3.44Å; I150-F179 HydrophobicContact CD1-CD1 4.32Å; I150-F179 HydrophobicContact CD1-CE1 3.78Å; I150-F179 HydrophobicContact CD1-CZ 4.46Å; I150-F179 HydrophobicContact CG1-CD1 3.69Å; I150-F179 HydrophobicContact CG1-CE1 3.67Å
151M98.7Very high97.8Very high0 Ų024.1 Ų24.10%013%0.126CC..EExtended strand (participates in β ladder)trans-101.1135.1169.4-55.8171.7-7200109.3R153 A177 E178 Y180 Y186 Y207 Y209M151-R153 HydrophobicContact CB-CG 3.69Å; M151-A177 CarbonylContact O-C 3.58Å; M151-A177 WeakPolarHBondContact O-CA 3.22Å; M151-A177 VanDerWaalsContact O-CB 3.29Å; M151-A177 WeakPolarHBondContact O-CB 3.5Å; M151-E178 HydrophobicContact CE-CB 4.14Å; M151-E178 HydrophobicContact CE-CG 4.37Å; M151-E178 PolarHBondContact N-O 3.27Å; M151-E178 PolarHBondContact O-N 3.43Å; M151-Y180 HydrophobicContact CE-CD2 4.29Å; M151-Y180 HydrophobicContact SD-CD2 4.08Å; M151-Y186 HydrophobicContact CE-CD1 4.26Å; M151-Y186 HydrophobicContact CE-CD2 4.08Å; M151-Y186 HydrophobicContact CE-CE1 4.05Å; M151-Y186 HydrophobicContact CE-CE2 3.85Å; M151-Y186 HydrophobicContact CE-CG 4.29Å; M151-Y207 HydrophobicContact SD-CD2 4.21Å; M151-Y207 HydrophobicContact SD-CE2 4.29Å; M151-Y209 HydrophobicContact CG-CD1 3.71Å; M151-Y209 HydrophobicContact CG-CE1 4.14Å
152H98.7Very high97.7Very high1 Ų124.4 Ų24.41%0.00513%0.128CC..  trans-76.2-44.8178-172.2-69.1000112D154 V155 L171 I172 D173 F174 L176 A177 D212H152-D154 PolarHBondContact ND1-N 2.88Å; H152-D154 PolarHBondContact O-N 2.81Å; H152-V155 HydrophobicContact CB-CG2 3.96Å; H152-L171 VanDerWaalsContact CD2-CD2 3.5Å; H152-L171 WeakPolarHBondContact CD2-CD2 3.17Å; H152-I172 PolarHBondContact NE2-O 3.32Å; H152-I172 VanDerWaalsContact NE2-O 3.07Å; H152-D173 PolarHBondContact CE1-O 3.17Å; H152-D173 PolarHBondContact NE2-O 3.28Å; H152-F174 AromaticContact CD2-CD1 3.99Å; H152-F174 AromaticContact CD2-CE1 3.7Å; H152-F174 AromaticContact CD2-CZ 3.84Å; H152-L176 CarbonylContact O-C 3.36Å; H152-A177 WeakPolarHBondContact O-CA 3.17Å; H152-A177 PolarHBondContact O-N 2.85Å; H152-D212 PolarHBondContact N-OD1 3.32Å; H152-D212 PolarHBondContact N-OD2 3.07Å
153R98.4Very high97.4Very high7 Ų726 Ų263%0.02614%0.137CC..SBendtrans6218.8176.9-46.9-168.4-61.1-177.5-6116.2M151 L176 E178 V190 A191 Y207 L211 D212M151-R153 HydrophobicContact CB-CG 3.69Å; R153-L176 PolarHBondContact NE-O 2.99Å; R153-L176 PolarHBondContact NH2-O 3.31Å; R153-E178 VanDerWaalsContact CZ-CB 3.44Å; R153-V190 HydrophobicContact CB-CB 4.32Å; R153-V190 HydrophobicContact CB-CG2 4.15Å; R153-A191 VanDerWaalsContact O-CA 3.29Å; R153-A191 WeakPolarHBondContact O-CA 3.48Å; R153-A191 WeakPolarHBondContact O-CB 3.48Å; R153-A191 PolarHBondContact O-N 3.06Å; R153-A191 VanDerWaalsContact O-N 3.08Å; R153-Y207 PolarHBondContact NH1-OH 3.27Å; R153-L211 HydrophobicContact CB-CD2 4.14Å; R153-L211 HydrophobicContact CG-CD2 4.1Å; R153-D212 PolarHBondContact N-OD1 2.67Å
154D97.7Very high97.1Very high10 Ų1026.9 Ų26.95%0.05314%0.139CC..  trans-159.139175.4-159.229.9000111.8H152 K156 N159 L176 A191 S192H152-D154 PolarHBondContact ND1-N 2.88Å; H152-D154 PolarHBondContact O-N 2.81Å; D154-K156 VanDerWaalsContact CG-NZ 3.32Å; D154-K156 PolarHBondContact O-N 2.83Å; D154-K156 IonicContact OD1-NZ 3.38Å; D154-K156 PolarHBondContact OD1-NZ 2.94Å; D154-K156 IonicContact OD2-NZ 2.6Å; D154-K156 PolarHBondContact OD2-NZ 3.45Å; D154-N159 PolarHBondContact O-ND2 2.84Å; D154-N159 PolarHBondContact OD2-ND2 3.26Å; D154-N159 VanDerWaalsContact OD2-ND2 3.12Å; D154-L176 HydrophobicContact CB-CB 4.27Å; D154-L176 HydrophobicContact CB-CD1 3.95Å; D154-A191 WeakPolarHBondContact OD1-CA 3.24Å; D154-S192 PolarHBondContact OD1-N 3.16Å
155V98.6Very high96.8Very high0 Ų033 Ų330%017%0.169CC..  trans-67.7124.3175.9179.70000108.5L138 L142 H152 D212 S215 M216 M219L138-V155 HydrophobicContact CD1-CG1 4.34Å; L138-V155 HydrophobicContact CD2-CG1 4.07Å; L142-V155 HydrophobicContact CD2-CG2 3.84Å; H152-V155 HydrophobicContact CB-CG2 3.96Å; V155-D212 HydrophobicContact CG2-CB 4.01Å; V155-S215 WeakPolarHBondContact O-CB 3.42Å; V155-M216 HydrophobicContact CG1-CB 4.49Å; V155-M219 HydrophobicContact CG1-SD 4.15Å
156K97.5Very high96.5Very high25 Ų2535.1 Ų35.111%0.10919%0.188CC..SBendtrans-165.7165.117966.7-163.6-177.8-151.70109.3D154 Y158 N159 S192 Y195 M219D154-K156 VanDerWaalsContact CG-NZ 3.32Å; D154-K156 PolarHBondContact O-N 2.83Å; D154-K156 IonicContact OD1-NZ 3.38Å; D154-K156 PolarHBondContact OD1-NZ 2.94Å; D154-K156 IonicContact OD2-NZ 2.6Å; D154-K156 PolarHBondContact OD2-NZ 3.45Å; K156-Y158 VanDerWaalsContact C-N 3.26Å; K156-Y158 HydrophobicContact CG-CD2 4.43Å; K156-Y158 PolarHBondContact O-N 2.9Å; K156-N159 WeakPolarHBondContact CE-ND2 3.39Å; K156-N159 HydrophobicContact CG-CB 4.18Å; K156-N159 PolarHBondContact O-N 3.25Å; K156-S192 VanDerWaalsContact CD-OG 3.3Å; K156-S192 WeakPolarHBondContact CD-OG 3.27Å; K156-S192 PolarHBondContact NZ-OG 3.19Å; K156-Y195 HydrophobicContact CB-CD1 4.42Å; K156-Y195 HydrophobicContact CB-CD2 3.7Å; K156-Y195 HydrophobicContact CB-CE1 4.45Å; K156-Y195 HydrophobicContact CB-CE2 3.71Å; K156-Y195 HydrophobicContact CB-CG 4.07Å; K156-M219 VanDerWaalsContact C-SD 3.55Å; K156-M219 VanDerWaalsContact CA-SD 3.53Å
157P96.6Very high96.3Very high0 Ų036.4 Ų36.40%019%0.194CC..G310 helixtrans-55.7-38.5-178.8-25.935.5000113.7F119 Y123 N159 I160 Y195 M219F119-P157 HydrophobicContact CD1-CB 4.11Å; Y123-P157 HydrophobicContact CD1-CB 4.43Å; Y123-P157 HydrophobicContact CD2-CG 4.28Å; Y123-P157 HydrophobicContact CE1-CB 4.39Å; Y123-P157 HydrophobicContact CE1-CG 4.27Å; Y123-P157 HydrophobicContact CE2-CG 3.98Å; P157-N159 PolarHBondContact O-N 3.39Å; P157-I160 PolarHBondContact O-N 3.42Å; P157-I160 VanDerWaalsContact O-N 3.12Å; P157-I160 VanDerWaalsContact O-O 3.09Å; P157-Y195 VanDerWaalsContact CD-CZ 3.45Å; P157-Y195 WeakPolarHBondContact CD-OH 3.26Å; P157-M219 HydrophobicContact CB-CE 4.28Å; P157-M219 HydrophobicContact CG-CE 3.77Å; P157-M219 HydrophobicContact CG-CG 4.07Å; P157-M219 HydrophobicContact CG-SD 4.21Å
158Y94.2Very high96.1Very high132 Ų13237.8 Ų37.852%0.51819%0.185SC..G310 helixtrans-67.4-13.8178.1-57.2-79.9000115.4K156K156-Y158 VanDerWaalsContact C-N 3.26Å; K156-Y158 HydrophobicContact CG-CD2 4.43Å; K156-Y158 PolarHBondContact O-N 2.9Å
159N95.2Very high96Very high10 Ų1034.3 Ų34.35%0.05317%0.169CC..G310 helixtrans-105.917.8176.6-72.7-8000111.2D154 K156 P157 L171 I172D154-N159 PolarHBondContact O-ND2 2.84Å; D154-N159 PolarHBondContact OD2-ND2 3.26Å; D154-N159 VanDerWaalsContact OD2-ND2 3.12Å; K156-N159 WeakPolarHBondContact CE-ND2 3.39Å; K156-N159 HydrophobicContact CG-CB 4.18Å; K156-N159 PolarHBondContact O-N 3.25Å; P157-N159 PolarHBondContact O-N 3.39Å; N159-L171 WeakPolarHBondContact O-CD1 3.5Å; N159-I172 HydrophobicContact CB-CG1 4.46Å; N159-I172 WeakPolarHBondContact O-CG1 3.35Å; N159-I172 PolarHBondContact O-N 2.91Å
160I96.8Very high96Very high1 Ų136.4 Ų36.41%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-129.5128.5177.4-62.7161.2000107.4F119 L138 P157 V162 L169 R170 L171 M219F119-I160 HydrophobicContact CB-CB 3.86Å; F119-I160 HydrophobicContact CB-CG2 3.81Å; F119-I160 WeakPolarHBondContact CB-O 3.46Å; F119-I160 HydrophobicContact CD1-CG2 4.45Å; F119-I160 HydrophobicContact CG-CB 4.36Å; F119-I160 HydrophobicContact CG-CG2 4.05Å; F119-I160 PolarHBondContact N-O 3.17Å; L138-I160 HydrophobicContact CD1-CD1 3.93Å; L138-I160 HydrophobicContact CD1-CG1 4.3Å; L138-I160 HydrophobicContact CD2-CD1 3.77Å; L138-I160 HydrophobicContact CG-CD1 4.44Å; P157-I160 PolarHBondContact O-N 3.42Å; P157-I160 VanDerWaalsContact O-N 3.12Å; P157-I160 VanDerWaalsContact O-O 3.09Å; I160-V162 HydrophobicContact CG2-CG1 4.28Å; I160-L169 HydrophobicContact CG2-CD1 3.65Å; I160-L169 HydrophobicContact CG2-CD2 4.23Å; I160-L169 HydrophobicContact CG2-CG 3.73Å; I160-R170 WeakPolarHBondContact CA-O 3.42Å; I160-L171 HydrophobicContact CG1-CD1 4.06Å; I160-M219 HydrophobicContact CD1-CE 3.49Å; I160-M219 VanDerWaalsContact CD1-CE 3.49Å; I160-M219 HydrophobicContact CD1-SD 3.97Å
161V95Very high95.9Very high14 Ų1436.4 Ų36.49%0.08517%0.172CC..EExtended strand (participates in β ladder)trans-116.5144.8172.8-62.60000108.1T114 R170 I172T114-V161 HydrophobicContact CG2-CG2 4.07Å; T114-V161 VanDerWaalsContact OG1-CG2 3.26Å; T114-V161 WeakPolarHBondContact OG1-CG2 3.39Å; V161-R170 HydrophobicContact CG2-CB 3.65Å; V161-R170 PolarHBondContact N-O 3.2Å; V161-R170 PolarHBondContact O-N 2.94Å; V161-I172 HydrophobicContact CG1-CD1 3.83Å; V161-I172 HydrophobicContact CG1-CG1 4.4Å; V161-I172 HydrophobicContact CG1-CG2 4.45Å; V161-I172 HydrophobicContact CG2-CG2 3.76Å
162V95.1Very high95.7Very high6 Ų638.1 Ų38.14%0.03618%0.181CC..EExtended strand (participates in β ladder)trans-125.2160.9-177.7-65.90000110.5P116 T117 F119 I122 Y134 I160 K168 L169P116-V162 CarbonylContact C-O 3.54Å; T117-V162 PolarHBondContact O-N 3.19Å; F119-V162 HydrophobicContact CB-CG1 4.42Å; F119-V162 HydrophobicContact CD2-CG1 3.67Å; F119-V162 HydrophobicContact CD2-CG2 4.43Å; F119-V162 HydrophobicContact CE2-CG1 4.39Å; F119-V162 HydrophobicContact CG-CG1 4.43Å; I122-V162 HydrophobicContact CD1-CG2 3.64Å; I122-V162 HydrophobicContact CG1-CG2 4.46Å; Y134-V162 HydrophobicContact CD1-CG1 3.76Å; Y134-V162 HydrophobicContact CE1-CB 3.87Å; Y134-V162 HydrophobicContact CE1-CG1 3.53Å; Y134-V162 HydrophobicContact CG-CG1 4.47Å; I160-V162 HydrophobicContact CG2-CG1 4.28Å; V162-K168 CarbonylContact C-O 3.16Å; V162-K168 VanDerWaalsContact CA-O 3.23Å; V162-K168 WeakPolarHBondContact CA-O 3.36Å; V162-K168 WeakPolarHBondContact CB-O 3.47Å; V162-L169 HydrophobicContact CG1-CB 4.42Å; V162-L169 HydrophobicContact CG1-CD1 4.29Å; V162-L169 HydrophobicContact CG1-CG 4.33Å
163D93.8Very high95.5Very high35 Ų3540.1 Ų40.119%0.18719%0.191CC..EExtended strand (participates in β ladder)trans-114.1104.4156.2-173.7-23.2000106.9Y115 P116 E165 A166 M167 K168Y115-D163 WeakPolarHBondContact O-CB 3.44Å; P116-D163 VanDerWaalsContact CD-CA 3.44Å; P116-D163 VanDerWaalsContact CD-CG 3.43Å; P116-D163 WeakPolarHBondContact CD-OD1 3.48Å; D163-E165 PolarHBondContact OD1-N 2.69Å; D163-A166 HydrophobicContact CB-CB 4.08Å; D163-A166 PolarHBondContact OD1-N 3.02Å; D163-A166 WeakPolarHBondContact OD2-CB 3.33Å; D163-M167 CarbonylContact O-C 3.58Å; D163-M167 VanDerWaalsContact O-CA 3.25Å; D163-M167 WeakPolarHBondContact O-CA 3.32Å; D163-M167 PolarHBondContact O-N 3.25Å; D163-K168 HydrophobicContact CB-CB 4.02Å; D163-K168 PolarHBondContact N-O 2.86Å; D163-K168 PolarHBondContact O-N 3.18Å
164H92.8Very high95.4Very high69 Ų6939.9 Ų39.932%0.31919%0.19SC..THydrogen-bonded Turntrans-71.8-36.1-175-164.651.6000112.8I122 H130 Y134I122-H164 HydrophobicContact CD1-CB 4.38Å; H130-H164 AromaticContact CD2-CE1 3.87Å; H130-H164 AromaticContact CE1-CE1 3.58Å; H130-H164 AromaticContact CE1-NE2 3.69Å; H130-H164 AromaticContact CG-CE1 3.71Å; H130-H164 AromaticContact ND1-CE1 3.5Å; H130-H164 AromaticContact ND1-NE2 3.83Å; H130-H164 AromaticContact NE2-CE1 3.84Å; Y134-H164 AromaticContact CE2-ND1 3.68Å; Y134-H164 AromaticContact CZ-ND1 3.69Å; Y134-H164 VanDerWaalsContact OH-CA 3.27Å; Y134-H164 WeakPolarHBondContact OH-CA 3.48Å; Y134-H164 PolarHBondContact OH-ND1 2.87Å
165E92.1Very high95.3Very high187 Ų18739.8 Ų39.887%0.87419%0.192SC*.THydrogen-bonded Turntrans-71.6-44.5178.4-63.8-176.5176.300111D163 M167D163-E165 PolarHBondContact OD1-N 2.69Å; E165-M167 VanDerWaalsContact C-N 3.28Å; E165-M167 PolarHBondContact O-N 3.1Å
166A92.9Very high95.1Very high46 Ų4640.9 Ų40.938%0.3820%0.198SC..THydrogen-bonded Turntrans-84.50.1179.200000113.8D163 K168D163-A166 HydrophobicContact CB-CB 4.08Å; D163-A166 PolarHBondContact OD1-N 3.02Å; D163-A166 WeakPolarHBondContact OD2-CB 3.33Å; A166-K168 HydrophobicContact CB-CD 4.19Å; A166-K168 HydrophobicContact CB-CG 4.24Å
167M93.4Very high95.2Very high49 Ų4939.7 Ų39.724%0.24119%0.193CC..THydrogen-bonded Turntrans48.164.7-173.9-66.5-75.6-77.800110.7F129 Y133 D163 E165F129-M167 HydrophobicContact CE1-CE 3.92Å; Y133-M167 HydrophobicContact CD1-CE 3.45Å; Y133-M167 VanDerWaalsContact CD1-CE 3.45Å; Y133-M167 HydrophobicContact CD1-SD 4.19Å; Y133-M167 HydrophobicContact CD2-CE 3.61Å; Y133-M167 HydrophobicContact CE1-CB 4.02Å; Y133-M167 HydrophobicContact CE1-CE 3.77Å; Y133-M167 HydrophobicContact CE1-SD 4.26Å; Y133-M167 HydrophobicContact CE2-CE 3.91Å; Y133-M167 HydrophobicContact CG-CE 3.39Å; Y133-M167 PolarHBondContact OH-O 3.12Å; D163-M167 CarbonylContact O-C 3.58Å; D163-M167 VanDerWaalsContact O-CA 3.25Å; D163-M167 WeakPolarHBondContact O-CA 3.32Å; D163-M167 PolarHBondContact O-N 3.25Å; E165-M167 VanDerWaalsContact C-N 3.28Å; E165-M167 PolarHBondContact O-N 3.1Å
168K95.1Very high95.2Very high110 Ų11041.7 Ų41.748%0.47820%0.202SC..EExtended strand (participates in β ladder)trans-127.5152.3174.6-61.1175-179.1164.80110.8V162 D163 A166V162-K168 CarbonylContact C-O 3.16Å; V162-K168 VanDerWaalsContact CA-O 3.23Å; V162-K168 WeakPolarHBondContact CA-O 3.36Å; V162-K168 WeakPolarHBondContact CB-O 3.47Å; D163-K168 HydrophobicContact CB-CB 4.02Å; D163-K168 PolarHBondContact N-O 2.86Å; D163-K168 PolarHBondContact O-N 3.18Å; A166-K168 HydrophobicContact CB-CD 4.19Å; A166-K168 HydrophobicContact CB-CG 4.24Å
169L96.6Very high95.4Very high2 Ų237.7 Ų37.71%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-130.5144.5173.7-177.6146.3000109.6N91 Y134 E137 L138 I160 V162N91-L169 HydrophobicContact CB-CD2 4.17Å; N91-L169 WeakPolarHBondContact CB-O 3.35Å; N91-L169 PolarHBondContact OD1-O 2.99Å; Y134-L169 HydrophobicContact CD1-CB 4.2Å; Y134-L169 HydrophobicContact CD1-CD1 3.84Å; Y134-L169 HydrophobicContact CG-CD1 4.42Å; Y134-L169 WeakPolarHBondContact O-CD1 3.45Å; E137-L169 HydrophobicContact CB-CB 3.87Å; E137-L169 HydrophobicContact CB-CD1 4.27Å; E137-L169 HydrophobicContact CB-CG 4.45Å; L138-L169 HydrophobicContact CB-CD1 4.27Å; L138-L169 HydrophobicContact CB-CD2 4.46Å; I160-L169 HydrophobicContact CG2-CD1 3.65Å; I160-L169 HydrophobicContact CG2-CD2 4.23Å; I160-L169 HydrophobicContact CG2-CG 3.73Å; V162-L169 HydrophobicContact CG1-CB 4.42Å; V162-L169 HydrophobicContact CG1-CD1 4.29Å; V162-L169 HydrophobicContact CG1-CG 4.33Å
170R97.1Very high95.6Very high60 Ų6040.6 Ų40.623%0.22620%0.198CC..EExtended strand (participates in β ladder)trans-132.4128.1167.3-64.2-71.4-174.2-86.3-0.4109.8N91 E112 T114 I160 V161 I172N91-R170 CarbonylContact O-C 3.48Å; N91-R170 WeakPolarHBondContact O-CA 3.34Å; E112-R170 WeakPolarHBondContact OE1-CD 3.5Å; E112-R170 IonicContact OE1-NE 2.76Å; E112-R170 PolarHBondContact OE1-NE 3.17Å; E112-R170 VanDerWaalsContact OE1-NE 3.12Å; E112-R170 IonicContact OE2-NE 3.82Å; T114-R170 HydrophobicContact CG2-CB 4.19Å; T114-R170 HydrophobicContact CG2-CG 3.79Å; I160-R170 WeakPolarHBondContact CA-O 3.42Å; V161-R170 HydrophobicContact CG2-CB 3.65Å; V161-R170 PolarHBondContact N-O 3.2Å; V161-R170 PolarHBondContact O-N 2.94Å; R170-I172 HydrophobicContact CB-CG2 4.48Å
171L97.8Very high95.6Very high0 Ų048.1 Ų48.10%023%0.227CC..EExtended strand (participates in β ladder)trans-80.2125.7164.5-176.261.2000108.3N91 V93 L138 A141 L142 H152 N159 I160 F174N91-L171 PolarHBondContact O-N 3.38Å; V93-L171 PolarHBondContact N-O 3.29Å; V93-L171 VanDerWaalsContact N-O 3.14Å; L138-L171 HydrophobicContact CD1-CD1 4.14Å; A141-L171 HydrophobicContact CB-CB 4.13Å; A141-L171 HydrophobicContact CB-CD2 4.24Å; L142-L171 HydrophobicContact CD2-CD2 3.95Å; H152-L171 VanDerWaalsContact CD2-CD2 3.5Å; H152-L171 WeakPolarHBondContact CD2-CD2 3.17Å; N159-L171 WeakPolarHBondContact O-CD1 3.5Å; I160-L171 HydrophobicContact CG1-CD1 4.06Å; L171-F174 HydrophobicContact CD2-CZ 4.09Å; L171-F174 HydrophobicContact CG-CE2 4.45Å; L171-F174 HydrophobicContact CG-CZ 4.17Å
172I95.4Very high95.6Very high36 Ų3652.7 Ų52.719%0.18526%0.259CS..  trans-119.6170.5-177.161.6157.5000110.6V93 H152 N159 V161 R170V93-I172 HydrophobicContact CB-CG2 3.87Å; V93-I172 HydrophobicContact CG1-CB 4.44Å; V93-I172 HydrophobicContact CG1-CG2 4.23Å; V93-I172 HydrophobicContact CG2-CG2 4.17Å; H152-I172 PolarHBondContact NE2-O 3.32Å; H152-I172 VanDerWaalsContact NE2-O 3.07Å; N159-I172 HydrophobicContact CB-CG1 4.46Å; N159-I172 WeakPolarHBondContact O-CG1 3.35Å; N159-I172 PolarHBondContact O-N 2.91Å; V161-I172 HydrophobicContact CG1-CD1 3.83Å; V161-I172 HydrophobicContact CG1-CG1 4.4Å; V161-I172 HydrophobicContact CG1-CG2 4.45Å; V161-I172 HydrophobicContact CG2-CG2 3.76Å; R170-I172 HydrophobicContact CB-CG2 4.48Å
173D93.7Very high95.5Very high43 Ų4355.6 Ų55.623%0.2329%0.29CS..  trans59.980.1175.7-1645.2000116.9K66 H152 G175K66-D173 IonicContact NZ-OD1 3.4Å; K66-D173 PolarHBondContact NZ-OD1 2.78Å; H152-D173 PolarHBondContact CE1-O 3.17Å; H152-D173 PolarHBondContact NE2-O 3.28Å; D173-G175 VanDerWaalsContact C-N 3.29Å; D173-G175 PolarHBondContact O-N 2.93Å; D173-G175 PolarHBondContact OD1-N 3.5Å; D173-G175 VanDerWaalsContact OD1-N 3.1Å
174F96.6Very high95.6Very high2 Ų257.3 Ų57.31%0.00930%0.297CS..  trans-8818.1173.9-70.6-99.8000113.8I82 L83 L86 I92 V93 H152 L171 L176 A177I82-F174 HydrophobicContact CG2-CB 4.11Å; I82-F174 HydrophobicContact CG2-CD1 3.74Å; I82-F174 HydrophobicContact CG2-CG 4.2Å; L83-F174 HydrophobicContact CD2-CB 4.16Å; L83-F174 HydrophobicContact CD2-CD2 3.63Å; L83-F174 HydrophobicContact CD2-CE2 4.34Å; L83-F174 HydrophobicContact CD2-CG 4.02Å; L83-F174 HydrophobicContact CG-CB 4.34Å; L86-F174 HydrophobicContact CD1-CD1 3.88Å; L86-F174 HydrophobicContact CD1-CE1 3.38Å; L86-F174 HydrophobicContact CD1-CZ 3.94Å; I92-F174 HydrophobicContact CD1-CZ 4.07Å; I92-F174 HydrophobicContact CG2-CE2 3.91Å; I92-F174 HydrophobicContact CG2-CZ 3.9Å; V93-F174 HydrophobicContact CG1-CE2 4.38Å; H152-F174 AromaticContact CD2-CD1 3.99Å; H152-F174 AromaticContact CD2-CE1 3.7Å; H152-F174 AromaticContact CD2-CZ 3.84Å; L171-F174 HydrophobicContact CD2-CZ 4.09Å; L171-F174 HydrophobicContact CG-CE2 4.45Å; L171-F174 HydrophobicContact CG-CZ 4.17Å; F174-L176 PolarHBondContact O-N 2.94Å; F174-A177 HydrophobicContact CB-CB 3.96Å; F174-A177 HydrophobicContact CD1-CB 3.87Å; F174-A177 HydrophobicContact CG-CB 4.41Å; F174-A177 VanDerWaalsContact O-CB 3.26Å; F174-A177 WeakPolarHBondContact O-CB 3.21Å; F174-A177 PolarHBondContact O-N 3.2Å
175G94.3Very high95.8Very high9 Ų961 Ų619%0.09332%0.315CS..THydrogen-bonded Turntrans-64-25.6-175.800000114.4E79 D173E79-G175 VanDerWaalsContact CD-CA 3.48Å; E79-G175 PolarHBondContact OE1-N 2.91Å; E79-G175 WeakPolarHBondContact OE2-CA 3.49Å; D173-G175 VanDerWaalsContact C-N 3.29Å; D173-G175 PolarHBondContact O-N 2.93Å; D173-G175 PolarHBondContact OD1-N 3.5Å; D173-G175 VanDerWaalsContact OD1-N 3.1Å
176L95.7Very high96.1Very high22 Ų2252.8 Ų52.812%0.11528%0.276CS..THydrogen-bonded Turntrans-99.4-2.3174-65.8-175.1000113.8Y48 H152 R153 D154 F174Y48-L176 HydrophobicContact CE2-CD2 3.75Å; Y48-L176 HydrophobicContact CE2-CG 4.23Å; H152-L176 CarbonylContact O-C 3.36Å; R153-L176 PolarHBondContact NE-O 2.99Å; R153-L176 PolarHBondContact NH2-O 3.31Å; D154-L176 HydrophobicContact CB-CB 4.27Å; D154-L176 HydrophobicContact CB-CD1 3.95Å; F174-L176 PolarHBondContact O-N 2.94Å
177A98Very high96.3Very high0 Ų053.7 Ų53.70%028%0.279CS..  trans-63.6161-178.200000112.6R78 I82 I150 M151 H152 F174R78-A177 PolarHBondContact NH1-O 3.18Å; I82-A177 HydrophobicContact CD1-CB 3.63Å; I82-A177 HydrophobicContact CG2-CB 4.19Å; I150-A177 HydrophobicContact CG2-CB 4.34Å; M151-A177 CarbonylContact O-C 3.58Å; M151-A177 WeakPolarHBondContact O-CA 3.22Å; M151-A177 VanDerWaalsContact O-CB 3.29Å; M151-A177 WeakPolarHBondContact O-CB 3.5Å; H152-A177 WeakPolarHBondContact O-CA 3.17Å; H152-A177 PolarHBondContact O-N 2.85Å; F174-A177 HydrophobicContact CB-CB 3.96Å; F174-A177 HydrophobicContact CD1-CB 3.87Å; F174-A177 HydrophobicContact CG-CB 4.41Å; F174-A177 VanDerWaalsContact O-CB 3.26Å; F174-A177 WeakPolarHBondContact O-CB 3.21Å; F174-A177 PolarHBondContact O-N 3.2Å
178E98.1Very high96.5Very high42 Ų4253.7 Ų53.720%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-151149.4178.1-173.359.5-78.500112R78 I150 M151 R153 Y180 Y186R78-E178 WeakPolarHBondContact CD-OE1 3.44Å; R78-E178 WeakPolarHBondContact CD-OE2 3.42Å; R78-E178 IonicContact CZ-OE2 3.01Å; R78-E178 IonicContact NE-OE2 2.66Å; R78-E178 VanDerWaalsContact NH1-CD 3.32Å; R78-E178 IonicContact NH1-OE1 3.83Å; R78-E178 IonicContact NH1-OE2 3.31Å; R78-E178 PolarHBondContact NH1-OE2 3.34Å; I150-E178 WeakPolarHBondContact CA-O 3.44Å; M151-E178 HydrophobicContact CE-CB 4.14Å; M151-E178 HydrophobicContact CE-CG 4.37Å; M151-E178 PolarHBondContact N-O 3.27Å; M151-E178 PolarHBondContact O-N 3.43Å; R153-E178 VanDerWaalsContact CZ-CB 3.44Å; E178-Y180 PolarHBondContact O-N 2.86Å; E178-Y186 HydrophobicContact CG-CD1 3.85Å; E178-Y186 HydrophobicContact CG-CE1 3.7Å
179F98.3Very high96.5Very high49 Ų4956.4 Ų56.422%0.21529%0.294CS..EExtended strand (participates in β ladder)trans-74.5122.3168.5-68.3-78000109.6K81 I82 G149 I150 Y186K81-F179 HydrophobicContact CB-CE2 4.4Å; K81-F179 HydrophobicContact CB-CZ 4.47Å; K81-F179 HydrophobicContact CG-CE2 4.05Å; K81-F179 HydrophobicContact CG-CZ 3.88Å; I82-F179 HydrophobicContact CB-CZ 4.42Å; I82-F179 HydrophobicContact CD1-CD2 4.38Å; I82-F179 HydrophobicContact CD1-CE2 4.19Å; I82-F179 HydrophobicContact CG1-CD2 4.06Å; I82-F179 HydrophobicContact CG1-CE1 4.17Å; I82-F179 HydrophobicContact CG1-CE2 3.44Å; I82-F179 VanDerWaalsContact CG1-CE2 3.44Å; I82-F179 HydrophobicContact CG1-CZ 3.5Å; I82-F179 VanDerWaalsContact CG1-CZ 3.5Å; G149-F179 CarbonylContact O-C 3.54Å; G149-F179 WeakPolarHBondContact O-CA 3.41Å; I150-F179 HydrophobicContact CD1-CD1 4.32Å; I150-F179 HydrophobicContact CD1-CE1 3.78Å; I150-F179 HydrophobicContact CD1-CZ 4.46Å; I150-F179 HydrophobicContact CG1-CD1 3.69Å; I150-F179 HydrophobicContact CG1-CE1 3.67Å; F179-Y186 PolarHBondContact O-OH 3.15Å
180Y98.3Very high96.4Very high70 Ų7056.6 Ų56.628%0.27530%0.295SS..  trans-70.6140.4172.1177.4-98.6000111.1G149 M151 E178 Y186 Y209G149-Y180 PolarHBondContact O-N 2.75Å; M151-Y180 HydrophobicContact CE-CD2 4.29Å; M151-Y180 HydrophobicContact SD-CD2 4.08Å; E178-Y180 PolarHBondContact O-N 2.86Å; Y180-Y186 WeakPolarHBondContact CA-OH 3.45Å; Y180-Y186 HydrophobicContact CD2-CE2 4.1Å; Y180-Y186 HydrophobicContact CE2-CE2 4.47Å; Y180-Y209 WeakPolarHBondContact CB-OH 3.46Å; Y180-Y209 HydrophobicContact CD1-CE1 4.36Å; Y180-Y209 HydrophobicContact CD1-CE2 4.05Å; Y180-Y209 AromaticContact CD1-CZ 3.62Å; Y180-Y209 WeakPolarHBondContact CD1-OH 3.49Å; Y180-Y209 HydrophobicContact CE1-CE2 4.44Å; Y180-Y209 HydrophobicContact CG-CE1 4.01Å; Y180-Y209 HydrophobicContact CG-CE2 4.34Å; Y180-Y209 AromaticContact CG-CZ 3.74Å
181R97.3Very high96.4Very high160 Ų16054.4 Ų54.460%0.60429%0.29SS*.  trans-142.5128.3175.2-54-171.5178.7172-6.5107.2G183 E184 Y186R181-G183 PolarHBondContact O-N 3.25Å; R181-E184 HydrophobicContact CB-CB 4.05Å; R181-E184 VanDerWaalsContact CB-OE2 3.27Å; R181-E184 WeakPolarHBondContact CB-OE2 3.49Å; R181-E184 WeakPolarHBondContact CD-OE2 3.49Å; R181-E184 VanDerWaalsContact CG-OE2 3.24Å; R181-E184 WeakPolarHBondContact CG-OE2 3.42Å; R181-E184 IonicContact NE-OE2 3.48Å; R181-E184 WeakPolarHBondContact O-CB 3.43Å; R181-E184 PolarHBondContact O-N 2.9Å; R181-Y186 PolarHBondContact N-OH 2.82Å; R181-Y186 PolarHBondContact O-OH 3.3Å
182S95Very high96.3Very high110 Ų11056.5 Ų56.577%0.76930%0.304SS*.THydrogen-bonded Turntrans-57.3126.5-178.6-177.90000111.4E184S182-E184 VanDerWaalsContact C-N 3.28Å; S182-E184 PolarHBondContact O-N 2.74Å
183G93.2Very high96.4Very high67 Ų6759.7 Ų59.769%0.69131%0.314SS*.THydrogen-bonded Turntrans76.35.9176.900000115.6R181R181-G183 PolarHBondContact O-N 3.25Å
184E96.9Very high96.6Very high71 Ų7160.1 Ų60.133%0.33232%0.315SS..  trans-79.2143.1173.6-177.8172.4-153.300111.1R181 S182 Y186R181-E184 HydrophobicContact CB-CB 4.05Å; R181-E184 VanDerWaalsContact CB-OE2 3.27Å; R181-E184 WeakPolarHBondContact CB-OE2 3.49Å; R181-E184 WeakPolarHBondContact CD-OE2 3.49Å; R181-E184 VanDerWaalsContact CG-OE2 3.24Å; R181-E184 WeakPolarHBondContact CG-OE2 3.42Å; R181-E184 IonicContact NE-OE2 3.48Å; R181-E184 WeakPolarHBondContact O-CB 3.43Å; R181-E184 PolarHBondContact O-N 2.9Å; S182-E184 VanDerWaalsContact C-N 3.28Å; S182-E184 PolarHBondContact O-N 2.74Å; E184-Y186 HydrophobicContact CB-CE1 4.29Å; E184-Y186 HydrophobicContact CB-CE2 4.28Å; E184-Y186 HydrophobicContact CG-CD1 4.47Å; E184-Y186 HydrophobicContact CG-CE1 3.89Å; E184-Y186 WeakPolarHBondContact O-CE2 3.44Å; E184-Y186 WeakPolarHBondContact OE2-CE1 3.48Å; E184-Y186 PolarHBondContact OE2-OH 3.26Å
185E97.1Very high96.7Very high146 Ų14660.5 Ų60.568%0.68232%0.316SS*.  trans-87.6130.5171.8-66.8-175.2-17100110.7S205E185-S205 WeakPolarHBondContact CG-OG 3.49Å
186Y97.6Very high96.9Very high14 Ų1461 Ų616%0.05532%0.316CS..  trans-110.6154.2-179.8-61.8-68.8000112.6M151 E178 F179 Y180 R181 E184 L188 S205 Y207M151-Y186 HydrophobicContact CE-CD1 4.26Å; M151-Y186 HydrophobicContact CE-CD2 4.08Å; M151-Y186 HydrophobicContact CE-CE1 4.05Å; M151-Y186 HydrophobicContact CE-CE2 3.85Å; M151-Y186 HydrophobicContact CE-CG 4.29Å; E178-Y186 HydrophobicContact CG-CD1 3.85Å; E178-Y186 HydrophobicContact CG-CE1 3.7Å; F179-Y186 PolarHBondContact O-OH 3.15Å; Y180-Y186 WeakPolarHBondContact CA-OH 3.45Å; Y180-Y186 HydrophobicContact CD2-CE2 4.1Å; Y180-Y186 HydrophobicContact CE2-CE2 4.47Å; R181-Y186 PolarHBondContact N-OH 2.82Å; R181-Y186 PolarHBondContact O-OH 3.3Å; E184-Y186 HydrophobicContact CB-CE1 4.29Å; E184-Y186 HydrophobicContact CB-CE2 4.28Å; E184-Y186 HydrophobicContact CG-CD1 4.47Å; E184-Y186 HydrophobicContact CG-CE1 3.89Å; E184-Y186 WeakPolarHBondContact O-CE2 3.44Å; E184-Y186 WeakPolarHBondContact OE2-CE1 3.48Å; E184-Y186 PolarHBondContact OE2-OH 3.26Å; Y186-L188 PolarHBondContact O-N 2.71Å; Y186-S205 PolarHBondContact N-O 2.91Å; Y186-S205 WeakPolarHBondContact O-CB 3.38Å; Y186-Y207 VanDerWaalsContact CB-OH 3.26Å; Y186-Y207 WeakPolarHBondContact CB-OH 3.38Å; Y186-Y207 HydrophobicContact CD2-CD2 4.38Å; Y186-Y207 HydrophobicContact CD2-CE2 4.26Å; Y186-Y207 HydrophobicContact CG-CE2 4.25Å
187S96.6Very high97Very high65 Ų6559.9 Ų59.946%0.45531%0.31SS..  trans-56.9128.3174.7168.50000111.7H189 Y207S187-H189 VanDerWaalsContact C-N 3.33Å; S187-H189 PolarHBondContact OG-N 3.11Å; S187-Y207 PolarHBondContact O-OH 3.31Å
188L96.9Very high97Very high50 Ų5059.9 Ų59.926%0.26231%0.31SS..SBendtrans-77.1-19.3175-60.7167.5000113.2Y186 V190 L200 Y207Y186-L188 PolarHBondContact O-N 2.71Å; L188-V190 PolarHBondContact O-N 2.88Å; L188-L200 HydrophobicContact CD2-CD2 4.26Å; L188-Y207 HydrophobicContact CD2-CE1 4.42Å
189H95.6Very high97Very high167 Ų16757.9 Ų57.977%0.77330%0.301SS*.SBendtrans-84.254.9-178.1-57.2-59000113.1S187S187-H189 VanDerWaalsContact C-N 3.33Å; S187-H189 PolarHBondContact OG-N 3.11Å
190V96Very high97Very high6 Ų656.1 Ų56.14%0.03629%0.293CS..  trans-125.6175.9175.8-61.30000110.4R153 L188 K196 L200 L211R153-V190 HydrophobicContact CB-CB 4.32Å; R153-V190 HydrophobicContact CB-CG2 4.15Å; L188-V190 PolarHBondContact O-N 2.88Å; V190-K196 VanDerWaalsContact O-CE 3.26Å; V190-K196 WeakPolarHBondContact O-CE 3.17Å; V190-L200 HydrophobicContact CG2-CD1 3.84Å; V190-L200 HydrophobicContact CG2-CD2 4.03Å; V190-L211 HydrophobicContact CG2-CD2 4.4Å
191A95.7Very high96.9Very high14 Ų1453.9 Ų53.912%0.11629%0.286CS..SBendtrans60.2149.2-176.200000116.4R153 D154 K196 L200R153-A191 VanDerWaalsContact O-CA 3.29Å; R153-A191 WeakPolarHBondContact O-CA 3.48Å; R153-A191 WeakPolarHBondContact O-CB 3.48Å; R153-A191 PolarHBondContact O-N 3.06Å; R153-A191 VanDerWaalsContact O-N 3.08Å; D154-A191 WeakPolarHBondContact OD1-CA 3.24Å; A191-K196 HydrophobicContact CB-CG 3.96Å; A191-K196 WeakPolarHBondContact O-CE 3.26Å; A191-L200 HydrophobicContact CB-CD1 4.07Å
192S96.1Very high96.9Very high43 Ų4346.5 Ų46.530%0.30126%0.259SS..  trans-67.1134.2165.6-82.20000111.3D154 K156 H194 Y195 K196D154-S192 PolarHBondContact OD1-N 3.16Å; K156-S192 VanDerWaalsContact CD-OG 3.3Å; K156-S192 WeakPolarHBondContact CD-OG 3.27Å; K156-S192 PolarHBondContact NZ-OG 3.19Å; S192-H194 PolarHBondContact O-N 2.91Å; S192-H194 VanDerWaalsContact O-N 3.11Å; S192-Y195 CarbonylContact O-C 3.52Å; S192-Y195 WeakPolarHBondContact O-CA 3.43Å; S192-Y195 PolarHBondContact O-N 3.35Å; S192-K196 PolarHBondContact O-N 3.44Å
193R97.5Very high96.9Very high103 Ų10343 Ų4339%0.38924%0.241SC..G310 helixtrans-42.3-52.3-170.6-174.9-172.1-59.1132.2-0114.9Y195 K196 G233 K234 Q239R193-Y195 PolarHBondContact O-N 3.35Å; R193-Y195 VanDerWaalsContact O-N 3.11Å; R193-K196 WeakPolarHBondContact O-CB 3.35Å; R193-K196 PolarHBondContact O-N 3.23Å; R193-K196 VanDerWaalsContact O-N 3.15Å; R193-G233 WeakPolarHBondContact CD-O 3.49Å; R193-K234 PolarHBondContact NH1-O 3.46Å; R193-Q239 HydrophobicContact CG-CB 4.28Å; R193-Q239 HydrophobicContact CG-CG 4.33Å
194H98.4Very high97.1Very high52 Ų5242 Ų4224%0.24122%0.216CC..G310 helixtrans-68.5-10.1-174.8-52.5137.5000114.2S192 P229S192-H194 PolarHBondContact O-N 2.91Å; S192-H194 VanDerWaalsContact O-N 3.11Å; H194-P229 HydrophobicContact CB-CB 3.63Å; H194-P229 HydrophobicContact CB-CG 4.12Å
195Y98.5Very high97.1Very high11 Ų1139.8 Ų39.84%0.04321%0.208CC..G310 helixtrans-116.54.9-179.8-52.6-81.1000112.1K156 P157 S192 R193 G197 S215 C218 M219K156-Y195 HydrophobicContact CB-CD1 4.42Å; K156-Y195 HydrophobicContact CB-CD2 3.7Å; K156-Y195 HydrophobicContact CB-CE1 4.45Å; K156-Y195 HydrophobicContact CB-CE2 3.71Å; K156-Y195 HydrophobicContact CB-CG 4.07Å; P157-Y195 VanDerWaalsContact CD-CZ 3.45Å; P157-Y195 WeakPolarHBondContact CD-OH 3.26Å; S192-Y195 CarbonylContact O-C 3.52Å; S192-Y195 WeakPolarHBondContact O-CA 3.43Å; S192-Y195 PolarHBondContact O-N 3.35Å; R193-Y195 PolarHBondContact O-N 3.35Å; R193-Y195 VanDerWaalsContact O-N 3.11Å; Y195-G197 PolarHBondContact O-N 3.27Å; Y195-S215 PolarHBondContact O-OG 2.82Å; Y195-C218 HydrophobicContact CD1-CB 3.89Å; Y195-C218 HydrophobicContact CE1-CB 4.49Å; Y195-M219 HydrophobicContact CD1-CG 3.93Å; Y195-M219 HydrophobicContact CE1-CG 3.53Å
196K98.4Very high97Very high18 Ų1835.2 Ų35.28%0.07819%0.192CC..  trans-67.8130.3177.4-76.5-176173.5-177.50110.8V190 A191 S192 R193 L200 L201 W214 D236V190-K196 VanDerWaalsContact O-CE 3.26Å; V190-K196 WeakPolarHBondContact O-CE 3.17Å; A191-K196 HydrophobicContact CB-CG 3.96Å; A191-K196 WeakPolarHBondContact O-CE 3.26Å; S192-K196 PolarHBondContact O-N 3.44Å; R193-K196 WeakPolarHBondContact O-CB 3.35Å; R193-K196 PolarHBondContact O-N 3.23Å; R193-K196 VanDerWaalsContact O-N 3.15Å; K196-L200 HydrophobicContact CB-CD1 4.27Å; K196-L200 HydrophobicContact CG-CD1 4.07Å; K196-L201 HydrophobicContact CB-CD2 4.05Å; K196-L201 HydrophobicContact CB-CG 4.26Å; K196-L201 HydrophobicContact CD-CD2 3.87Å; K196-W214 PolarHBondContact O-NE1 3.35Å; K196-D236 IonicContact NZ-OD1 3.59Å; K196-D236 PolarHBondContact NZ-OD1 2.73Å; K196-D236 IonicContact NZ-OD2 2.66Å; K196-D236 PolarHBondContact NZ-OD2 2.98Å
197G98.1Very high96.9Very high0 Ų034.7 Ų34.70%019%0.19CC..  trans-67.1152.6170.700000112.9Y195 E199 L200 L201Y195-G197 PolarHBondContact O-N 3.27Å; G197-E199 WeakPolarHBondContact CA-OE2 3.44Å; G197-E199 PolarHBondContact O-N 3.19Å; G197-L200 PolarHBondContact O-N 2.54Å; G197-L201 PolarHBondContact O-N 2.84Å
198P97.9Very high97Very high0 Ų033.1 Ų33.10%018%0.179CC..Hα-helixtrans-51.3-37.5175.3-27.934.9000113L200 L201 V202 W214 W255 F305P198-L200 VanDerWaalsContact C-N 3.25Å; P198-L200 PolarHBondContact O-N 3.12Å; P198-L201 CarbonylContact O-C 3.5Å; P198-L201 WeakPolarHBondContact O-CA 3.48Å; P198-L201 PolarHBondContact O-N 2.84Å; P198-V202 WeakPolarHBondContact O-CG2 3.33Å; P198-V202 PolarHBondContact O-N 3.01Å; P198-W214 VanDerWaalsContact CD-CD2 3.47Å; P198-W214 HydrophobicContact CG-CD2 4.36Å; P198-W214 HydrophobicContact CG-CE3 4.03Å; P198-W214 HydrophobicContact CG-CH2 3.51Å; P198-W214 HydrophobicContact CG-CZ2 3.89Å; P198-W214 HydrophobicContact CG-CZ3 3.59Å; P198-W255 HydrophobicContact CB-CH2 4.07Å; P198-W255 HydrophobicContact CB-CZ3 3.69Å; P198-F305 HydrophobicContact CB-CD1 3.8Å; P198-F305 HydrophobicContact CB-CE1 4.35Å; P198-F305 HydrophobicContact CG-CD1 3.7Å; P198-F305 HydrophobicContact CG-CE1 4.15Å
199E97.8Very high97Very high0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-54.6-37.9176.659.7-92.7-132.500113.3G197 G203 Y204 Y207 L211 W255 R310G197-E199 WeakPolarHBondContact CA-OE2 3.44Å; G197-E199 PolarHBondContact O-N 3.19Å; E199-G203 PolarHBondContact O-N 3.32Å; E199-Y204 HydrophobicContact CB-CD1 4.1Å; E199-Y204 PolarHBondContact O-N 2.97Å; E199-Y207 HydrophobicContact CG-CG 4.31Å; E199-L211 HydrophobicContact CG-CD1 4.24Å; E199-L211 WeakPolarHBondContact OE1-CA 3.29Å; E199-W255 HydrophobicContact CB-CH2 4.21Å; E199-W255 HydrophobicContact CB-CZ2 4.49Å; E199-R310 VanDerWaalsContact CD-NH1 3.32Å; E199-R310 IonicContact OE1-CZ 3.37Å; E199-R310 IonicContact OE1-NH1 3.64Å; E199-R310 PolarHBondContact OE1-NH1 3.35Å; E199-R310 IonicContact OE1-NH2 2.72Å; E199-R310 IonicContact OE2-CZ 2.68Å; E199-R310 IonicContact OE2-NH1 2.92Å; E199-R310 PolarHBondContact OE2-NH1 2.97Å; E199-R310 VanDerWaalsContact OE2-NH1 3.1Å; E199-R310 IonicContact OE2-NH2 3.24Å; E199-R310 PolarHBondContact OE2-NH2 3.24Å
200L98.1Very high97.2Very high12 Ų1226.1 Ų26.16%0.06314%0.144CC..Hα-helixtrans-73.6-32.1176.7-57.4-176.6000111.8L188 V190 A191 K196 G197 P198 Y207 L211L188-L200 HydrophobicContact CD2-CD2 4.26Å; V190-L200 HydrophobicContact CG2-CD1 3.84Å; V190-L200 HydrophobicContact CG2-CD2 4.03Å; A191-L200 HydrophobicContact CB-CD1 4.07Å; K196-L200 HydrophobicContact CB-CD1 4.27Å; K196-L200 HydrophobicContact CG-CD1 4.07Å; G197-L200 PolarHBondContact O-N 2.54Å; P198-L200 VanDerWaalsContact C-N 3.25Å; P198-L200 PolarHBondContact O-N 3.12Å; L200-Y207 HydrophobicContact CD2-CD1 3.85Å; L200-Y207 HydrophobicContact CD2-CE1 3.48Å; L200-Y207 VanDerWaalsContact CD2-CE1 3.48Å; L200-L211 HydrophobicContact CD1-CD1 3.79Å; L200-L211 HydrophobicContact CD1-CD2 4.1Å; L200-L211 HydrophobicContact CD2-CD2 4.24Å; L200-L211 HydrophobicContact CG-CD1 3.91Å; L200-L211 HydrophobicContact CG-CD2 4.39Å
201L96.9Very high97.3Very high22 Ų2225.9 Ų25.912%0.11514%0.143CC..Hα-helixtrans-84.1-28-174.2-58.3174.4000112.8K196 G197 P198 D236 Q239 L240 I243K196-L201 HydrophobicContact CB-CD2 4.05Å; K196-L201 HydrophobicContact CB-CG 4.26Å; K196-L201 HydrophobicContact CD-CD2 3.87Å; G197-L201 PolarHBondContact O-N 2.84Å; P198-L201 CarbonylContact O-C 3.5Å; P198-L201 WeakPolarHBondContact O-CA 3.48Å; P198-L201 PolarHBondContact O-N 2.84Å; L201-D236 HydrophobicContact CD2-CB 3.91Å; L201-Q239 HydrophobicContact CD1-CB 4.29Å; L201-Q239 HydrophobicContact CD1-CG 3.83Å; L201-Q239 HydrophobicContact CD2-CB 4.39Å; L201-Q239 HydrophobicContact CD2-CG 4.37Å; L201-L240 HydrophobicContact CB-CB 4.16Å; L201-L240 HydrophobicContact CB-CD1 4.17Å; L201-L240 HydrophobicContact CB-CD2 4.5Å; L201-L240 HydrophobicContact CD1-CB 4.18Å; L201-L240 HydrophobicContact CD1-CD1 4.35Å; L201-I243 HydrophobicContact CD1-CD1 3.55Å
202V95.9Very high97.5Very high5 Ų525.2 Ų25.23%0.0314%0.137CC..THydrogen-bonded Turntrans-95.3-1.8175.9-54.50000113.4P198 L240 L252 W255 I256 I261 F263P198-V202 WeakPolarHBondContact O-CG2 3.33Å; P198-V202 PolarHBondContact O-N 3.01Å; V202-L240 HydrophobicContact CG1-CD1 4.12Å; V202-L240 HydrophobicContact CG1-CD2 3.82Å; V202-L252 HydrophobicContact CG1-CD1 4.04Å; V202-W255 HydrophobicContact CG1-CZ3 4.21Å; V202-W255 HydrophobicContact CG2-CH2 3.57Å; V202-W255 HydrophobicContact CG2-CZ3 3.7Å; V202-I256 HydrophobicContact CG1-CD1 4.14Å; V202-I261 HydrophobicContact CB-CG2 4.4Å; V202-I261 HydrophobicContact CG2-CD1 4.02Å; V202-I261 HydrophobicContact CG2-CG2 3.99Å; V202-F263 HydrophobicContact CB-CD2 3.82Å; V202-F263 HydrophobicContact CB-CE2 4.27Å; V202-F263 HydrophobicContact CB-CG 4.42Å; V202-F263 HydrophobicContact CG1-CD2 4.13Å; V202-F263 HydrophobicContact CG1-CE2 4.16Å
203G95.8Very high97.6Very high38 Ų3823.2 Ų23.239%0.39212%0.123SC..THydrogen-bonded Turntrans84.618.6177.400000115.5E199 S205E199-G203 PolarHBondContact O-N 3.32Å; G203-S205 PolarHBondContact O-N 3.16Å
204Y96.7Very high97.7Very high46 Ų4618.3 Ų18.318%0.1811%0.105CC..  trans-82.397178.2-172-109.7000111.2E199 C206 Y207 W255 Y259 I261E199-Y204 HydrophobicContact CB-CD1 4.1Å; E199-Y204 PolarHBondContact O-N 2.97Å; Y204-C206 HydrophobicContact CE1-CB 4.14Å; Y204-C206 WeakPolarHBondContact CE1-O 3.34Å; Y204-C206 HydrophobicContact CE2-CB 4.31Å; Y204-Y207 WeakPolarHBondContact O-CD1 3.31Å; Y204-W255 HydrophobicContact CD1-CZ2 4.49Å; Y204-Y259 HydrophobicContact CE2-CD1 4.35Å; Y204-I261 HydrophobicContact CD2-CD1 3.99Å; Y204-I261 HydrophobicContact CD2-CG1 3.89Å; Y204-I261 HydrophobicContact CG-CD1 4.17Å
205S96.6Very high97.7Very high23 Ų2315.9 Ų15.916%0.1619%0.093CC..  trans-77.6-18.7-174.155.20000114.6E185 Y186 G203 Y207E185-S205 WeakPolarHBondContact CG-OG 3.49Å; Y186-S205 PolarHBondContact N-O 2.91Å; Y186-S205 WeakPolarHBondContact O-CB 3.38Å; G203-S205 PolarHBondContact O-N 3.16Å; S205-Y207 WeakPolarHBondContact O-CD1 3.41Å; S205-Y207 PolarHBondContact O-N 3.1Å
206C95.7Very high97.7Very high51 Ų5115.3 Ų15.335%0.3459%0.091SC..  trans-84.252.4179.2-63.60000112.4Y204Y204-C206 HydrophobicContact CE1-CB 4.14Å; Y204-C206 WeakPolarHBondContact CE1-O 3.34Å; Y204-C206 HydrophobicContact CE2-CB 4.31Å
207Y96.7Very high97.7Very high3 Ų314.5 Ų14.51%0.0129%0.087CC..  trans-93.9170.9-17862.3-102.8000113.4M151 R153 Y186 S187 L188 E199 L200 Y204 S205 L211M151-Y207 HydrophobicContact SD-CD2 4.21Å; M151-Y207 HydrophobicContact SD-CE2 4.29Å; R153-Y207 PolarHBondContact NH1-OH 3.27Å; Y186-Y207 VanDerWaalsContact CB-OH 3.26Å; Y186-Y207 WeakPolarHBondContact CB-OH 3.38Å; Y186-Y207 HydrophobicContact CD2-CD2 4.38Å; Y186-Y207 HydrophobicContact CD2-CE2 4.26Å; Y186-Y207 HydrophobicContact CG-CE2 4.25Å; S187-Y207 PolarHBondContact O-OH 3.31Å; L188-Y207 HydrophobicContact CD2-CE1 4.42Å; E199-Y207 HydrophobicContact CG-CG 4.31Å; L200-Y207 HydrophobicContact CD2-CD1 3.85Å; L200-Y207 HydrophobicContact CD2-CE1 3.48Å; L200-Y207 VanDerWaalsContact CD2-CE1 3.48Å; Y204-Y207 WeakPolarHBondContact O-CD1 3.31Å; S205-Y207 WeakPolarHBondContact O-CD1 3.41Å; S205-Y207 PolarHBondContact O-N 3.1Å; Y207-L211 HydrophobicContact CD2-CB 4.47Å; Y207-L211 HydrophobicContact CD2-CD2 3.9Å; Y207-L211 HydrophobicContact CE2-CD2 3.73Å
208S97.2Very high97.8Very high32 Ų3214.6 Ų14.622%0.2249%0.088CC..  trans-140.1-162.5-173.7790000112.7S210 L211S208-S210 PolarHBondContact O-N 3.24Å; S208-S210 VanDerWaalsContact O-N 3.08Å; S208-S210 PolarHBondContact OG-OG 3.32Å; S208-L211 WeakPolarHBondContact O-CB 3.26Å; S208-L211 PolarHBondContact O-N 2.89Å; S208-L211 VanDerWaalsContact O-N 3.13Å
209Y98.5Very high97.8Very high60 Ų6014.6 Ų14.624%0.2359%0.088CC..THydrogen-bonded Turntrans-49.1-29.2175.4-49.1-55.3000114.8H146 G149 M151 Y180 L211 D212H146-Y209 HydrophobicContact CB-CD1 3.95Å; H146-Y209 HydrophobicContact CB-CD2 4.48Å; H146-Y209 HydrophobicContact CB-CE1 4.43Å; H146-Y209 HydrophobicContact CB-CG 3.99Å; H146-Y209 AromaticContact CD2-CD1 3.56Å; H146-Y209 AromaticContact CD2-CG 3.91Å; H146-Y209 PolarHBondContact CE1-O 2.9Å; H146-Y209 AromaticContact CG-CD1 3.81Å; H146-Y209 AromaticContact CG-CG 3.8Å; G149-Y209 WeakPolarHBondContact CA-OH 3.46Å; M151-Y209 HydrophobicContact CG-CD1 3.71Å; M151-Y209 HydrophobicContact CG-CE1 4.14Å; Y180-Y209 WeakPolarHBondContact CB-OH 3.46Å; Y180-Y209 HydrophobicContact CD1-CE1 4.36Å; Y180-Y209 HydrophobicContact CD1-CE2 4.05Å; Y180-Y209 AromaticContact CD1-CZ 3.62Å; Y180-Y209 WeakPolarHBondContact CD1-OH 3.49Å; Y180-Y209 HydrophobicContact CE1-CE2 4.44Å; Y180-Y209 HydrophobicContact CG-CE1 4.01Å; Y180-Y209 HydrophobicContact CG-CE2 4.34Å; Y180-Y209 AromaticContact CG-CZ 3.74Å; Y209-L211 PolarHBondContact O-N 3.11Å; Y209-D212 PolarHBondContact O-N 3.06Å
210S98.4Very high97.8Very high10 Ų1014.6 Ų14.67%0.079%0.088CC..Hα-helixtrans-56.7-20.5177.660.40000114.1S208 I213 W214 P307 R310S208-S210 PolarHBondContact O-N 3.24Å; S208-S210 VanDerWaalsContact O-N 3.08Å; S208-S210 PolarHBondContact OG-OG 3.32Å; S210-I213 PolarHBondContact O-N 2.82Å; S210-W214 PolarHBondContact O-N 3.33Å; S210-W214 VanDerWaalsContact O-N 3.12Å; S210-P307 VanDerWaalsContact CB-O 3.3Å; S210-P307 WeakPolarHBondContact CB-O 3.15Å; S210-P307 WeakPolarHBondContact OG-CB 3.37Å; S210-R310 PolarHBondContact O-NH1 3.37Å
211L98.7Very high97.9Very high0 Ų014 Ų140%09%0.085CC..Hα-helixtrans-64.3-41.7174.6179.362.4000111.3R153 V190 E199 L200 Y207 S208 Y209 I213 W214 S215R153-L211 HydrophobicContact CB-CD2 4.14Å; R153-L211 HydrophobicContact CG-CD2 4.1Å; V190-L211 HydrophobicContact CG2-CD2 4.4Å; E199-L211 HydrophobicContact CG-CD1 4.24Å; E199-L211 WeakPolarHBondContact OE1-CA 3.29Å; L200-L211 HydrophobicContact CD1-CD1 3.79Å; L200-L211 HydrophobicContact CD1-CD2 4.1Å; L200-L211 HydrophobicContact CD2-CD2 4.24Å; L200-L211 HydrophobicContact CG-CD1 3.91Å; L200-L211 HydrophobicContact CG-CD2 4.39Å; Y207-L211 HydrophobicContact CD2-CB 4.47Å; Y207-L211 HydrophobicContact CD2-CD2 3.9Å; Y207-L211 HydrophobicContact CE2-CD2 3.73Å; S208-L211 WeakPolarHBondContact O-CB 3.26Å; S208-L211 PolarHBondContact O-N 2.89Å; S208-L211 VanDerWaalsContact O-N 3.13Å; Y209-L211 PolarHBondContact O-N 3.11Å; L211-I213 VanDerWaalsContact C-N 3.3Å; L211-I213 PolarHBondContact O-N 3.33Å; L211-W214 WeakPolarHBondContact O-CB 3.15Å; L211-W214 PolarHBondContact O-N 3.46Å; L211-S215 PolarHBondContact O-N 3.49Å; L211-S215 VanDerWaalsContact O-N 3.14Å; L211-S215 PolarHBondContact O-OG 3.4Å
212D98.9Very high97.9Very high0 Ų013 Ų130%08%0.08CC..Hα-helixtrans-67.2-36.2178.9-63.6-33000111.2L142 H146 H152 R153 V155 Y209 S215 M216L142-D212 HydrophobicContact CD1-CB 4.21Å; L142-D212 HydrophobicContact CD2-CB 3.93Å; H146-D212 IonicContact CD2-OD2 3.91Å; H146-D212 IonicContact NE2-OD2 2.65Å; H146-D212 PolarHBondContact NE2-OD2 3.11Å; H152-D212 PolarHBondContact N-OD1 3.32Å; H152-D212 PolarHBondContact N-OD2 3.07Å; R153-D212 PolarHBondContact N-OD1 2.67Å; V155-D212 HydrophobicContact CG2-CB 4.01Å; Y209-D212 PolarHBondContact O-N 3.06Å; D212-S215 PolarHBondContact O-N 3Å; D212-M216 WeakPolarHBondContact O-CB 3.38Å; D212-M216 PolarHBondContact O-N 3.42Å
213I98.9Very high98.1Very high2 Ų212.8 Ų12.81%0.018%0.078CC..Hα-helixtrans-62.9-43.3175.8-56.1-56.4000110.9L139 L142 S210 L211 M216 G217 V302 I311 A313L139-I213 HydrophobicContact CD2-CD1 4.38Å; L142-I213 HydrophobicContact CD1-CD1 4.43Å; S210-I213 PolarHBondContact O-N 2.82Å; L211-I213 VanDerWaalsContact C-N 3.3Å; L211-I213 PolarHBondContact O-N 3.33Å; I213-M216 HydrophobicContact CG2-CE 4.2Å; I213-M216 PolarHBondContact O-N 3.48Å; I213-G217 PolarHBondContact O-N 2.77Å; I213-V302 HydrophobicContact CG2-CG1 3.91Å; I213-V302 WeakPolarHBondContact O-CG1 3.45Å; I213-I311 HydrophobicContact CG2-CG2 4.28Å; I213-I311 WeakPolarHBondContact CG2-O 3.31Å; I213-A313 HydrophobicContact CD1-CB 3.95Å
214W98.9Very high98.2Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-59.9-48.6175.3174.9-83.4000112.1K196 P198 S210 L211 M216 G217 C218 F231 I243 L247 L303K196-W214 PolarHBondContact O-NE1 3.35Å; P198-W214 VanDerWaalsContact CD-CD2 3.47Å; P198-W214 HydrophobicContact CG-CD2 4.36Å; P198-W214 HydrophobicContact CG-CE3 4.03Å; P198-W214 HydrophobicContact CG-CH2 3.51Å; P198-W214 HydrophobicContact CG-CZ2 3.89Å; P198-W214 HydrophobicContact CG-CZ3 3.59Å; S210-W214 PolarHBondContact O-N 3.33Å; S210-W214 VanDerWaalsContact O-N 3.12Å; L211-W214 WeakPolarHBondContact O-CB 3.15Å; L211-W214 PolarHBondContact O-N 3.46Å; W214-M216 VanDerWaalsContact C-N 3.3Å; W214-M216 PolarHBondContact O-N 2.84Å; W214-G217 WeakPolarHBondContact O-CA 3.29Å; W214-G217 PolarHBondContact O-N 3.16Å; W214-C218 PolarHBondContact NE1-SG 3.14Å; W214-C218 PolarHBondContact O-N 3.4Å; W214-C218 PolarHBondContact O-SG 3.24Å; W214-C218 VanDerWaalsContact O-SG 3.36Å; W214-F231 HydrophobicContact CZ2-CE2 4.24Å; W214-I243 HydrophobicContact CH2-CG2 3.6Å; W214-I243 HydrophobicContact CZ2-CD1 3.73Å; W214-I243 HydrophobicContact CZ2-CG1 4.01Å; W214-I243 HydrophobicContact CZ2-CG2 3.89Å; W214-L247 HydrophobicContact CH2-CD1 3.61Å; W214-L247 HydrophobicContact CZ3-CD1 3.94Å; W214-L303 HydrophobicContact CD2-CD2 4.08Å; W214-L303 HydrophobicContact CE3-CD2 4.02Å; W214-L303 HydrophobicContact CH2-CD2 4.32Å; W214-L303 HydrophobicContact CZ2-CD2 4.34Å; W214-L303 HydrophobicContact CZ3-CB 4.37Å; W214-L303 HydrophobicContact CZ3-CD2 4.16Å
215S98.9Very high98.3Very high0 Ų09.1 Ų9.10%05%0.053CC..Hα-helixtrans-60.2-41.5-179.7-620000111.6V155 Y195 L211 D212 C218 M219V155-S215 WeakPolarHBondContact O-CB 3.42Å; Y195-S215 PolarHBondContact O-OG 2.82Å; L211-S215 PolarHBondContact O-N 3.49Å; L211-S215 VanDerWaalsContact O-N 3.14Å; L211-S215 PolarHBondContact O-OG 3.4Å; D212-S215 PolarHBondContact O-N 3Å; S215-C218 WeakPolarHBondContact O-CB 3.4Å; S215-C218 PolarHBondContact O-N 2.83Å; S215-M219 PolarHBondContact O-N 3.02Å
216M98.8Very high98.3Very high0 Ų011.6 Ų11.60%06%0.059CC..Hα-helixtrans-62.3-41.1171.3177.5-81-59.700112.1I135 L138 L139 L142 V155 D212 I213 W214 C218 M219 L220 F298 V302I135-M216 HydrophobicContact CD1-CG 4.11Å; I135-M216 HydrophobicContact CD1-SD 4.24Å; I135-M216 HydrophobicContact CG2-CG 4.4Å; I135-M216 HydrophobicContact CG2-SD 3.66Å; L138-M216 HydrophobicContact CD2-CB 4.18Å; L138-M216 HydrophobicContact CD2-CG 3.69Å; L138-M216 HydrophobicContact CG-CG 4.44Å; L139-M216 HydrophobicContact CD2-CE 3.8Å; L139-M216 HydrophobicContact CG-CE 4.48Å; L142-M216 HydrophobicContact CD1-CB 4.36Å; V155-M216 HydrophobicContact CG1-CB 4.49Å; D212-M216 WeakPolarHBondContact O-CB 3.38Å; D212-M216 PolarHBondContact O-N 3.42Å; I213-M216 HydrophobicContact CG2-CE 4.2Å; I213-M216 PolarHBondContact O-N 3.48Å; W214-M216 VanDerWaalsContact C-N 3.3Å; W214-M216 PolarHBondContact O-N 2.84Å; M216-C218 VanDerWaalsContact C-N 3.31Å; M216-C218 PolarHBondContact O-N 2.67Å; M216-M219 WeakPolarHBondContact O-CB 3.09Å; M216-M219 PolarHBondContact O-N 3.37Å; M216-M219 VanDerWaalsContact O-N 3.15Å; M216-L220 PolarHBondContact O-N 3.25Å; M216-F298 HydrophobicContact CE-CZ 4.46Å; M216-V302 HydrophobicContact CE-CG1 3.96Å; M216-V302 HydrophobicContact CE-CG2 4.25Å
217G98.8Very high98.4Very high0 Ų013.8 Ų13.80%06%0.062CC..Hα-helixtrans-59.7-39.3175.100000113.6I213 W214 M219 L220 A221I213-G217 PolarHBondContact O-N 2.77Å; W214-G217 WeakPolarHBondContact O-CA 3.29Å; W214-G217 PolarHBondContact O-N 3.16Å; G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 3.38Å; G217-L220 PolarHBondContact O-N 3.28Å; G217-A221 WeakPolarHBondContact O-CB 3.43Å; G217-A221 PolarHBondContact O-N 3.11Å
218C98.9Very high98.4Very high2 Ų217.8 Ų17.81%0.0148%0.081CC..Hα-helixtrans-64.5-38.3176.1-68.50000111.8Y195 W214 S215 M216 T222Y195-C218 HydrophobicContact CD1-CB 3.89Å; Y195-C218 HydrophobicContact CE1-CB 4.49Å; W214-C218 PolarHBondContact NE1-SG 3.14Å; W214-C218 PolarHBondContact O-N 3.4Å; W214-C218 PolarHBondContact O-SG 3.24Å; W214-C218 VanDerWaalsContact O-SG 3.36Å; S215-C218 WeakPolarHBondContact O-CB 3.4Å; S215-C218 PolarHBondContact O-N 2.83Å; M216-C218 VanDerWaalsContact C-N 3.31Å; M216-C218 PolarHBondContact O-N 2.67Å; C218-T222 WeakPolarHBondContact O-CB 3.3Å; C218-T222 PolarHBondContact O-N 3.27Å; C218-T222 VanDerWaalsContact O-N 3.11Å; C218-T222 PolarHBondContact O-OG1 3.38Å
219M98.5Very high98.4Very high0 Ų017.2 Ų17.20%08%0.076CC..Hα-helixtrans-64.2-47.6171.3-68.3177.556.300111.7F119 V155 K156 P157 I160 Y195 S215 M216 G217 A221 T222 M223F119-M219 HydrophobicContact CD1-CE 3.66Å; F119-M219 HydrophobicContact CE1-CE 3.51Å; V155-M219 HydrophobicContact CG1-SD 4.15Å; K156-M219 VanDerWaalsContact C-SD 3.55Å; K156-M219 VanDerWaalsContact CA-SD 3.53Å; P157-M219 HydrophobicContact CB-CE 4.28Å; P157-M219 HydrophobicContact CG-CE 3.77Å; P157-M219 HydrophobicContact CG-CG 4.07Å; P157-M219 HydrophobicContact CG-SD 4.21Å; I160-M219 HydrophobicContact CD1-CE 3.49Å; I160-M219 VanDerWaalsContact CD1-CE 3.49Å; I160-M219 HydrophobicContact CD1-SD 3.97Å; Y195-M219 HydrophobicContact CD1-CG 3.93Å; Y195-M219 HydrophobicContact CE1-CG 3.53Å; S215-M219 PolarHBondContact O-N 3.02Å; M216-M219 WeakPolarHBondContact O-CB 3.09Å; M216-M219 PolarHBondContact O-N 3.37Å; M216-M219 VanDerWaalsContact O-N 3.15Å; G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 3.38Å; M219-A221 PolarHBondContact O-N 3.06Å; M219-T222 WeakPolarHBondContact O-CB 3.45Å; M219-T222 PolarHBondContact O-N 2.95Å; M219-M223 WeakPolarHBondContact O-CG 3.41Å; M219-M223 PolarHBondContact O-N 3.37Å
220L98.8Very high98.4Very high0 Ų014.5 Ų14.50%07%0.066CC..Hα-helixtrans-61.6-45.4-179.817759.5000112I131 I135 M216 G217 T222 M223 I224 F298 L299 Y321I131-L220 HydrophobicContact CG2-CD1 3.78Å; I135-L220 HydrophobicContact CD1-CB 4.49Å; I135-L220 HydrophobicContact CG1-CD1 4.16Å; M216-L220 PolarHBondContact O-N 3.25Å; G217-L220 PolarHBondContact O-N 3.28Å; L220-T222 VanDerWaalsContact C-N 3.28Å; L220-T222 PolarHBondContact O-N 3.08Å; L220-M223 HydrophobicContact CD1-CE 4.34Å; L220-M223 PolarHBondContact O-N 2.95Å; L220-I224 HydrophobicContact CD1-CD1 3.61Å; L220-I224 HydrophobicContact CD1-CG1 3.85Å; L220-I224 HydrophobicContact CD2-CD1 4.28Å; L220-I224 HydrophobicContact CG-CD1 3.69Å; L220-I224 HydrophobicContact CG-CG1 4.32Å; L220-I224 WeakPolarHBondContact O-CG1 3.43Å; L220-I224 PolarHBondContact O-N 3.23Å; L220-F298 HydrophobicContact CD2-CD1 3.43Å; L220-F298 VanDerWaalsContact CD2-CD1 3.43Å; L220-F298 HydrophobicContact CD2-CE1 3.59Å; L220-L299 HydrophobicContact CB-CD2 4.28Å; L220-L299 HydrophobicContact CD2-CD2 3.95Å; L220-L299 HydrophobicContact CG-CD2 3.95Å; L220-Y321 HydrophobicContact CD1-CE1 4.24Å; L220-Y321 HydrophobicContact CD2-CE1 4.28Å
221A98.8Very high98.4Very high0 Ų014.1 Ų14.10%06%0.063CC..Hα-helixtrans-60-40.4175.200000111.5G217 M219 M223 I224 F225 F230 L299 L303G217-A221 WeakPolarHBondContact O-CB 3.43Å; G217-A221 PolarHBondContact O-N 3.11Å; M219-A221 PolarHBondContact O-N 3.06Å; A221-M223 PolarHBondContact O-N 3.45Å; A221-I224 PolarHBondContact O-N 2.91Å; A221-F225 HydrophobicContact CB-CD2 4.19Å; A221-F225 HydrophobicContact CB-CE2 4.31Å; A221-F225 WeakPolarHBondContact O-CB 3.4Å; A221-F225 WeakPolarHBondContact O-CD2 3.27Å; A221-F225 PolarHBondContact O-N 3.03Å; A221-F230 HydrophobicContact CB-CB 4.14Å; A221-F230 HydrophobicContact CB-CD1 3.92Å; A221-F230 HydrophobicContact CB-CD2 4.16Å; A221-F230 HydrophobicContact CB-CE1 4.4Å; A221-F230 HydrophobicContact CB-CG 3.79Å; A221-L299 HydrophobicContact CB-CD1 4.42Å; A221-L299 HydrophobicContact CB-CD2 4.06Å; A221-L303 HydrophobicContact CB-CD1 4.1Å
222T98.7Very high98.3Very high1 Ų118.4 Ų18.41%0.0069%0.086CC..Hα-helixtrans-59.9-44.6175.5-62.10000111.6Y123 L124 C218 M219 L220 R226 K227 E228 F230Y123-T222 HydrophobicContact CE2-CG2 3.71Å; Y123-T222 VanDerWaalsContact OH-CG2 3.27Å; Y123-T222 WeakPolarHBondContact OH-CG2 3.13Å; L124-T222 HydrophobicContact CD2-CG2 3.89Å; C218-T222 WeakPolarHBondContact O-CB 3.3Å; C218-T222 PolarHBondContact O-N 3.27Å; C218-T222 VanDerWaalsContact O-N 3.11Å; C218-T222 PolarHBondContact O-OG1 3.38Å; M219-T222 WeakPolarHBondContact O-CB 3.45Å; M219-T222 PolarHBondContact O-N 2.95Å; L220-T222 VanDerWaalsContact C-N 3.28Å; L220-T222 PolarHBondContact O-N 3.08Å; T222-R226 WeakPolarHBondContact O-CA 3.27Å; T222-R226 PolarHBondContact O-N 2.96Å; T222-K227 WeakPolarHBondContact CG2-O 3.31Å; T222-K227 PolarHBondContact O-N 2.92Å; T222-E228 HydrophobicContact CG2-CB 3.66Å; T222-E228 HydrophobicContact CG2-CG 4.1Å; T222-F230 WeakPolarHBondContact OG1-CB 3.22Å; T222-F230 PolarHBondContact OG1-N 3.23Å; T222-F230 VanDerWaalsContact OG1-N 3.11Å
223M98.6Very high98.2Very high0 Ų018.4 Ų18.40%09%0.086CC..Hα-helixtrans-67-48.7177.6-69.1-174.7-73.200112.6F119 Y123 I131 I135 M219 L220 A221 F225 R226F119-M223 HydrophobicContact CE1-SD 4.14Å; F119-M223 HydrophobicContact CZ-CE 4.48Å; F119-M223 HydrophobicContact CZ-SD 3.87Å; Y123-M223 HydrophobicContact CD2-CG 3.34Å; Y123-M223 HydrophobicContact CD2-SD 3.8Å; Y123-M223 HydrophobicContact CE2-CG 3.94Å; Y123-M223 HydrophobicContact CG-CG 4.26Å; Y123-M223 HydrophobicContact CG-SD 4.43Å; I131-M223 HydrophobicContact CD1-CB 4.02Å; I131-M223 HydrophobicContact CG1-CB 4.28Å; I131-M223 HydrophobicContact CG1-SD 4.04Å; I131-M223 HydrophobicContact CG2-CB 4.26Å; I131-M223 HydrophobicContact CG2-CE 3.91Å; I131-M223 HydrophobicContact CG2-SD 4.05Å; I135-M223 HydrophobicContact CD1-CE 3.47Å; I135-M223 VanDerWaalsContact CD1-CE 3.47Å; I135-M223 HydrophobicContact CG1-CE 3.63Å; M219-M223 WeakPolarHBondContact O-CG 3.41Å; M219-M223 PolarHBondContact O-N 3.37Å; L220-M223 HydrophobicContact CD1-CE 4.34Å; L220-M223 PolarHBondContact O-N 2.95Å; A221-M223 PolarHBondContact O-N 3.45Å; M223-F225 PolarHBondContact O-N 3.15Å; M223-R226 WeakPolarHBondContact O-CD 3.26Å; M223-R226 PolarHBondContact O-NH1 3.07Å
224I98.6Very high98Very high1 Ų126.2 Ų26.21%0.00512%0.12CC..Hα-helixtrans-61.8-46.5-179.1-71.5170.2000110.4L220 A221 N287 A291 A295 L299L220-I224 HydrophobicContact CD1-CD1 3.61Å; L220-I224 HydrophobicContact CD1-CG1 3.85Å; L220-I224 HydrophobicContact CD2-CD1 4.28Å; L220-I224 HydrophobicContact CG-CD1 3.69Å; L220-I224 HydrophobicContact CG-CG1 4.32Å; L220-I224 WeakPolarHBondContact O-CG1 3.43Å; L220-I224 PolarHBondContact O-N 3.23Å; A221-I224 PolarHBondContact O-N 2.91Å; I224-N287 WeakPolarHBondContact O-CB 3.1Å; I224-A291 HydrophobicContact CG2-CB 3.9Å; I224-A295 HydrophobicContact CD1-CB 3.79Å; I224-L299 HydrophobicContact CD1-CD1 3.89Å; I224-L299 HydrophobicContact CD1-CG 4.16Å
225F98.4Very high97.9Very high6 Ų630 Ų303%0.02614%0.14CC..Hα-helixtrans-91.9-4-173-60.1-59.8000114.2A221 M223 K227 F230 W279 F282 N287 A291 L296 L299A221-F225 HydrophobicContact CB-CD2 4.19Å; A221-F225 HydrophobicContact CB-CE2 4.31Å; A221-F225 WeakPolarHBondContact O-CB 3.4Å; A221-F225 WeakPolarHBondContact O-CD2 3.27Å; A221-F225 PolarHBondContact O-N 3.03Å; M223-F225 PolarHBondContact O-N 3.15Å; F225-K227 HydrophobicContact CB-CB 4.49Å; F225-K227 PolarHBondContact O-N 2.78Å; F225-F230 HydrophobicContact CB-CD2 4.12Å; F225-F230 HydrophobicContact CB-CE2 4.01Å; F225-F230 AromaticContact CD2-CD2 3.69Å; F225-F230 HydrophobicContact CD2-CD2 3.69Å; F225-F230 AromaticContact CD2-CE2 3.22Å; F225-F230 HydrophobicContact CD2-CE2 3.22Å; F225-F230 AromaticContact CD2-CZ 3.91Å; F225-F230 HydrophobicContact CD2-CZ 3.91Å; F225-F230 AromaticContact CE2-CE2 3.92Å; F225-F230 HydrophobicContact CE2-CE2 3.92Å; F225-F230 HydrophobicContact CE2-CZ 4.16Å; F225-F230 HydrophobicContact CG-CD2 4.31Å; F225-F230 AromaticContact CG-CE2 3.84Å; F225-F230 HydrophobicContact CG-CE2 3.84Å; F225-W279 HydrophobicContact CE2-CD2 4.47Å; F225-W279 AromaticContact CE2-CE3 3.65Å; F225-W279 HydrophobicContact CE2-CE3 3.65Å; F225-W279 HydrophobicContact CE2-CZ3 4.14Å; F225-W279 HydrophobicContact CZ-CB 4.02Å; F225-W279 HydrophobicContact CZ-CD2 4.32Å; F225-W279 AromaticContact CZ-CE3 3.79Å; F225-W279 HydrophobicContact CZ-CE3 3.79Å; F225-W279 HydrophobicContact CZ-CG 4.44Å; F225-F282 HydrophobicContact CB-CB 4.41Å; F225-F282 HydrophobicContact CD1-CB 3.39Å; F225-F282 HydrophobicContact CD2-CB 4.32Å; F225-F282 HydrophobicContact CE1-CB 3.63Å; F225-F282 HydrophobicContact CE2-CB 4.5Å; F225-F282 HydrophobicContact CG-CB 3.78Å; F225-F282 HydrophobicContact CZ-CB 4.19Å; F225-N287 WeakPolarHBondContact CA-ND2 3.03Å; F225-N287 PolarHBondContact O-ND2 3.12Å; F225-N287 VanDerWaalsContact O-ND2 3.11Å; F225-A291 HydrophobicContact CE1-CB 4.28Å; F225-L296 HydrophobicContact CE1-CD2 4.03Å; F225-L296 HydrophobicContact CZ-CD2 3.81Å; F225-L299 HydrophobicContact CE2-CD1 3.58Å; F225-L299 HydrophobicContact CZ-CD1 3.87Å
226R97.5Very high97.7Very high76 Ų7633.1 Ų33.129%0.28716%0.157SC..THydrogen-bonded Turntrans52.144.6-175.7-57.6-60.1-167.2-160.78.9112.2Y123 L124 L126 T222 M223 N287 L290Y123-R226 PolarHBondContact O-NH1 3.3Å; L124-R226 PolarHBondContact O-NE 3.44Å; L124-R226 PolarHBondContact O-NH1 2.94Å; L126-R226 PolarHBondContact O-NH2 3.14Å; T222-R226 WeakPolarHBondContact O-CA 3.27Å; T222-R226 PolarHBondContact O-N 2.96Å; M223-R226 WeakPolarHBondContact O-CD 3.26Å; M223-R226 PolarHBondContact O-NH1 3.07Å; R226-N287 HydrophobicContact CG-CB 4.24Å; R226-L290 VanDerWaalsContact CZ-CD1 3.47Å
227K97.2Very high97.5Very high97 Ų9735.2 Ų35.242%0.42217%0.169SC..  trans-132.6102-177.7-177.9-170.2176.8-159.60109T222 F225 P229 F230T222-K227 WeakPolarHBondContact CG2-O 3.31Å; T222-K227 PolarHBondContact O-N 2.92Å; F225-K227 HydrophobicContact CB-CB 4.49Å; F225-K227 PolarHBondContact O-N 2.78Å; K227-P229 CarbonylContact O-C 3.55Å; K227-F230 HydrophobicContact CB-CD2 4.38Å; K227-F230 HydrophobicContact CD-CD2 4.12Å; K227-F230 HydrophobicContact CD-CE2 4.43Å; K227-F230 PolarHBondContact NZ-O 2.91Å; K227-F230 VanDerWaalsContact NZ-O 3.11Å; K227-F230 WeakPolarHBondContact O-CA 3.47Å; K227-F230 PolarHBondContact O-N 3.12Å
228E96.3Very high97.3Very high87 Ų8736.4 Ų36.441%0.40718%0.176SC..SBendtrans-108.7130.2-176.9179178.2-148.900112.5Y123 L124 T222Y123-E228 WeakPolarHBondContact OH-CG 3.44Å; Y123-E228 PolarHBondContact OH-OE1 3.2Å; L124-E228 HydrophobicContact CD1-CB 3.97Å; L124-E228 WeakPolarHBondContact CD1-OE2 3.43Å; L124-E228 HydrophobicContact CD2-CB 4.47Å; T222-E228 HydrophobicContact CG2-CB 3.66Å; T222-E228 HydrophobicContact CG2-CG 4.1Å
229P97.4Very high97.2Very high19 Ų1936.3 Ų36.312%0.12318%0.175CC..SBendcis-66.7152.6-23.931-35.2000110.3H194 K227 F231 N232H194-P229 HydrophobicContact CB-CB 3.63Å; H194-P229 HydrophobicContact CB-CG 4.12Å; K227-P229 CarbonylContact O-C 3.55Å; P229-F231 PolarHBondContact O-N 2.63Å; P229-N232 HydrophobicContact CG-CB 3.72Å
230F98.4Very high97.1Very high3 Ų336.3 Ų36.31%0.01318%0.175CC..SBendtrans-61.2-48.4-179.9-176.4-99.7000112.1A221 T222 F225 K227 V246 W279 F282A221-F230 HydrophobicContact CB-CB 4.14Å; A221-F230 HydrophobicContact CB-CD1 3.92Å; A221-F230 HydrophobicContact CB-CD2 4.16Å; A221-F230 HydrophobicContact CB-CE1 4.4Å; A221-F230 HydrophobicContact CB-CG 3.79Å; T222-F230 WeakPolarHBondContact OG1-CB 3.22Å; T222-F230 PolarHBondContact OG1-N 3.23Å; T222-F230 VanDerWaalsContact OG1-N 3.11Å; F225-F230 HydrophobicContact CB-CD2 4.12Å; F225-F230 HydrophobicContact CB-CE2 4.01Å; F225-F230 AromaticContact CD2-CD2 3.69Å; F225-F230 HydrophobicContact CD2-CD2 3.69Å; F225-F230 AromaticContact CD2-CE2 3.22Å; F225-F230 HydrophobicContact CD2-CE2 3.22Å; F225-F230 AromaticContact CD2-CZ 3.91Å; F225-F230 HydrophobicContact CD2-CZ 3.91Å; F225-F230 AromaticContact CE2-CE2 3.92Å; F225-F230 HydrophobicContact CE2-CE2 3.92Å; F225-F230 HydrophobicContact CE2-CZ 4.16Å; F225-F230 HydrophobicContact CG-CD2 4.31Å; F225-F230 AromaticContact CG-CE2 3.84Å; F225-F230 HydrophobicContact CG-CE2 3.84Å; K227-F230 HydrophobicContact CB-CD2 4.38Å; K227-F230 HydrophobicContact CD-CD2 4.12Å; K227-F230 HydrophobicContact CD-CE2 4.43Å; K227-F230 PolarHBondContact NZ-O 2.91Å; K227-F230 VanDerWaalsContact NZ-O 3.11Å; K227-F230 WeakPolarHBondContact O-CA 3.47Å; K227-F230 PolarHBondContact O-N 3.12Å; F230-V246 HydrophobicContact CE1-CG1 4.32Å; F230-V246 HydrophobicContact CE1-CG2 4.46Å; F230-W279 HydrophobicContact CE1-CH2 4.47Å; F230-W279 AromaticContact CE1-CZ3 3.79Å; F230-W279 HydrophobicContact CE1-CZ3 3.79Å; F230-W279 HydrophobicContact CZ-CE3 4.38Å; F230-W279 AromaticContact CZ-CZ3 3.75Å; F230-W279 HydrophobicContact CZ-CZ3 3.75Å; F230-F282 HydrophobicContact CE2-CD1 4.12Å; F230-F282 HydrophobicContact CE2-CD2 4.5Å; F230-F282 HydrophobicContact CE2-CE1 4.5Å; F230-F282 HydrophobicContact CE2-CG 4.13Å; F230-F282 HydrophobicContact CZ-CD1 4.15Å; F230-F282 HydrophobicContact CZ-CD2 4.08Å; F230-F282 HydrophobicContact CZ-CE1 4.15Å; F230-F282 HydrophobicContact CZ-CE2 4.09Å; F230-F282 HydrophobicContact CZ-CG 4.12Å; F230-F282 HydrophobicContact CZ-CZ 4.13Å
231F98.2Very high96.9Very high3 Ų336.9 Ų36.91%0.01318%0.179CC..SBendtrans-99100.6169.7-59-65000109.8W214 P229 Q239 I243 V246 L303W214-F231 HydrophobicContact CZ2-CE2 4.24Å; P229-F231 PolarHBondContact O-N 2.63Å; F231-Q239 PolarHBondContact O-NE2 3.48Å; F231-Q239 VanDerWaalsContact O-NE2 3.16Å; F231-Q239 PolarHBondContact O-OE1 3.31Å; F231-I243 HydrophobicContact CB-CG1 4.18Å; F231-I243 HydrophobicContact CD1-CB 4.37Å; F231-I243 HydrophobicContact CD1-CG1 3.8Å; F231-I243 HydrophobicContact CD2-CG1 4.07Å; F231-I243 HydrophobicContact CE1-CB 4.38Å; F231-I243 HydrophobicContact CE1-CG1 4.14Å; F231-I243 HydrophobicContact CE2-CG1 4.39Å; F231-I243 HydrophobicContact CG-CG1 3.76Å; F231-I243 HydrophobicContact CZ-CG1 4.42Å; F231-V246 HydrophobicContact CD1-CG2 4.41Å; F231-V246 HydrophobicContact CE1-CB 3.89Å; F231-V246 HydrophobicContact CE1-CG1 4.32Å; F231-V246 HydrophobicContact CE1-CG2 3.81Å; F231-L303 HydrophobicContact CE2-CD1 4.19Å; F231-L303 HydrophobicContact CE2-CD2 4.38Å; F231-L303 HydrophobicContact CZ-CD1 4.38Å
232N97.6Very high96.8Very high89 Ų8941.5 Ų41.548%0.47620%0.196SC..  trans-104.971.1-172.2-166.35.9000112.5P229P229-N232 HydrophobicContact CG-CB 3.72Å
233G96.5Very high96.7Very high0 Ų041.5 Ų41.50%020%0.196CC..  trans-82.8135.1176.100000113.3R193 N235 D238 Q239R193-G233 WeakPolarHBondContact CD-O 3.49Å; G233-N235 VanDerWaalsContact C-N 3.34Å; G233-N235 PolarHBondContact O-N 2.62Å; G233-D238 VanDerWaalsContact CA-OD2 3.31Å; G233-D238 WeakPolarHBondContact CA-OD2 3.48Å; G233-Q239 VanDerWaalsContact CA-OE1 3.23Å
234K95.6Very high96.5Very high166 Ų16641.6 Ų41.672%0.72220%0.196SC*.SBendtrans-70.7-29.4177.8-63.2174.7-175.4175.40113R193 D238R193-K234 PolarHBondContact NH1-O 3.46Å; K234-D238 PolarHBondContact N-OD2 3.01Å
235N95.1Very high96.3Very high81 Ų8142.8 Ų42.843%0.43320%0.203SC..SBendtrans-148177.7175.858.745.1000108.9G233 V237 D238 Q239G233-N235 VanDerWaalsContact C-N 3.34Å; G233-N235 PolarHBondContact O-N 2.62Å; N235-V237 VanDerWaalsContact C-N 3.26Å; N235-V237 PolarHBondContact O-N 2.68Å; N235-V237 WeakPolarHBondContact OD1-CB 3.42Å; N235-V237 PolarHBondContact OD1-N 2.92Å; N235-V237 VanDerWaalsContact OD1-N 3.14Å; N235-D238 PolarHBondContact O-N 2.9Å; N235-D238 PolarHBondContact OD1-N 3.28Å; N235-Q239 WeakPolarHBondContact O-CB 3.44Å; N235-Q239 PolarHBondContact O-N 2.98Å
236D95.1Very high96.2Very high65 Ų6542.9 Ų42.935%0.34820%0.204SC..Hα-helixtrans-63.9-32.5-176.5-71.5-7.9000112.4K196 L201 Q239 L240K196-D236 IonicContact NZ-OD1 3.59Å; K196-D236 PolarHBondContact NZ-OD1 2.73Å; K196-D236 IonicContact NZ-OD2 2.66Å; K196-D236 PolarHBondContact NZ-OD2 2.98Å; L201-D236 HydrophobicContact CD2-CB 3.91Å; D236-Q239 PolarHBondContact O-N 3.44Å; D236-L240 PolarHBondContact O-N 3Å
237V94.4Very high96.2Very high43 Ų4339.3 Ų39.326%0.26119%0.191SC..Hα-helixtrans-64.4-53.6175158.40000111N235 Q239 L240 V241 D268 Q269N235-V237 VanDerWaalsContact C-N 3.26Å; N235-V237 PolarHBondContact O-N 2.68Å; N235-V237 WeakPolarHBondContact OD1-CB 3.42Å; N235-V237 PolarHBondContact OD1-N 2.92Å; N235-V237 VanDerWaalsContact OD1-N 3.14Å; V237-Q239 VanDerWaalsContact C-N 3.28Å; V237-Q239 PolarHBondContact O-N 3.5Å; V237-L240 PolarHBondContact O-N 3.35Å; V237-V241 PolarHBondContact O-N 3.2Å; V237-D268 HydrophobicContact CG1-CB 4.29Å; V237-Q269 HydrophobicContact CB-CG 4.44Å; V237-Q269 HydrophobicContact CG1-CG 3.47Å; V237-Q269 VanDerWaalsContact CG1-CG 3.47Å
238D94.8Very high96.1Very high25 Ų2534.9 Ų34.913%0.13417%0.172CC..Hα-helixtrans-64.8-33.3177.6-177.153.5000111.1G233 K234 N235 L240 V241 R242G233-D238 VanDerWaalsContact CA-OD2 3.31Å; G233-D238 WeakPolarHBondContact CA-OD2 3.48Å; K234-D238 PolarHBondContact N-OD2 3.01Å; N235-D238 PolarHBondContact O-N 2.9Å; N235-D238 PolarHBondContact OD1-N 3.28Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact O-N 3.26Å; D238-V241 WeakPolarHBondContact O-CB 3.47Å; D238-V241 PolarHBondContact O-N 3.32Å; D238-V241 VanDerWaalsContact O-N 3.17Å; D238-R242 WeakPolarHBondContact O-CG 3.46Å; D238-R242 PolarHBondContact O-N 2.85Å; D238-R242 IonicContact OD1-CZ 3.16Å; D238-R242 VanDerWaalsContact OD1-CZ 3.31Å; D238-R242 IonicContact OD1-NE 2.66Å; D238-R242 PolarHBondContact OD1-NE 2.88Å; D238-R242 VanDerWaalsContact OD1-NE 3.16Å; D238-R242 IonicContact OD1-NH2 3.13Å; D238-R242 PolarHBondContact OD1-NH2 3.1Å; D238-R242 IonicContact OD2-NE 2.73Å; D238-R242 IonicContact OD2-NH2 2.87Å
239Q97Very high95.9Very high0 Ų031.1 Ų31.10%016%0.156CC..Hα-helixtrans-58.7-45.5174.7-174.467.722.100111.5R193 L201 F231 G233 N235 D236 V237 V241 R242 I243R193-Q239 HydrophobicContact CG-CB 4.28Å; R193-Q239 HydrophobicContact CG-CG 4.33Å; L201-Q239 HydrophobicContact CD1-CB 4.29Å; L201-Q239 HydrophobicContact CD1-CG 3.83Å; L201-Q239 HydrophobicContact CD2-CB 4.39Å; L201-Q239 HydrophobicContact CD2-CG 4.37Å; F231-Q239 PolarHBondContact O-NE2 3.48Å; F231-Q239 VanDerWaalsContact O-NE2 3.16Å; F231-Q239 PolarHBondContact O-OE1 3.31Å; G233-Q239 VanDerWaalsContact CA-OE1 3.23Å; N235-Q239 WeakPolarHBondContact O-CB 3.44Å; N235-Q239 PolarHBondContact O-N 2.98Å; D236-Q239 PolarHBondContact O-N 3.44Å; V237-Q239 VanDerWaalsContact C-N 3.28Å; V237-Q239 PolarHBondContact O-N 3.5Å; Q239-V241 VanDerWaalsContact C-N 3.33Å; Q239-R242 PolarHBondContact O-N 3.23Å; Q239-I243 HydrophobicContact CG-CD1 4.15Å; Q239-I243 WeakPolarHBondContact O-CD1 3.43Å; Q239-I243 WeakPolarHBondContact O-CG1 3.3Å; Q239-I243 PolarHBondContact O-N 3.49Å; Q239-I243 VanDerWaalsContact O-N 3.08Å
240L96.2Very high95.7Very high0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-63.7-40.4176.1-175.359.5000111.3L201 V202 D236 V237 D238 I243 T244 L252 F263 F271L201-L240 HydrophobicContact CB-CB 4.16Å; L201-L240 HydrophobicContact CB-CD1 4.17Å; L201-L240 HydrophobicContact CB-CD2 4.5Å; L201-L240 HydrophobicContact CD1-CB 4.18Å; L201-L240 HydrophobicContact CD1-CD1 4.35Å; V202-L240 HydrophobicContact CG1-CD1 4.12Å; V202-L240 HydrophobicContact CG1-CD2 3.82Å; D236-L240 PolarHBondContact O-N 3Å; V237-L240 PolarHBondContact O-N 3.35Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact O-N 3.26Å; L240-I243 PolarHBondContact O-N 2.97Å; L240-T244 WeakPolarHBondContact O-CB 3.31Å; L240-T244 PolarHBondContact O-N 3.02Å; L240-T244 PolarHBondContact O-OG1 3.06Å; L240-L252 HydrophobicContact CD1-CD1 4.32Å; L240-L252 HydrophobicContact CD1-CD2 4.19Å; L240-L252 HydrophobicContact CG-CD2 4.38Å; L240-F263 HydrophobicContact CD2-CE2 3.75Å; L240-F263 HydrophobicContact CD2-CZ 3.65Å; L240-F271 HydrophobicContact CD2-CE1 4.4Å; L240-F271 HydrophobicContact CD2-CZ 3.96Å; L240-F271 HydrophobicContact CG-CE1 4.14Å; L240-F271 HydrophobicContact CG-CZ 4.21Å
241V94.7Very high95.4Very high13 Ų1338 Ų388%0.07920%0.196CC..Hα-helixtrans-60.1-47.6175.1175.70000110.8V237 D238 Q239 I243 T244 D245 Q269 F271V237-V241 PolarHBondContact O-N 3.2Å; D238-V241 WeakPolarHBondContact O-CB 3.47Å; D238-V241 PolarHBondContact O-N 3.32Å; D238-V241 VanDerWaalsContact O-N 3.17Å; Q239-V241 VanDerWaalsContact C-N 3.33Å; V241-I243 VanDerWaalsContact C-N 3.3Å; V241-I243 PolarHBondContact O-N 2.67Å; V241-T244 PolarHBondContact O-N 3.01Å; V241-T244 VanDerWaalsContact O-N 3.1Å; V241-D245 PolarHBondContact O-N 2.91Å; V241-Q269 HydrophobicContact CG2-CB 4.42Å; V241-Q269 HydrophobicContact CG2-CG 4.29Å; V241-F271 HydrophobicContact CG2-CD1 4.46Å; V241-F271 HydrophobicContact CG2-CE1 4.24Å
242R95.8Very high95.3Very high97 Ų9738 Ų3837%0.36620%0.196SC..Hα-helixtrans-60.3-37.2177.8-62.3-49167.7-163.5-13.2113.4D238 Q239D238-R242 WeakPolarHBondContact O-CG 3.46Å; D238-R242 PolarHBondContact O-N 2.85Å; D238-R242 IonicContact OD1-CZ 3.16Å; D238-R242 VanDerWaalsContact OD1-CZ 3.31Å; D238-R242 IonicContact OD1-NE 2.66Å; D238-R242 PolarHBondContact OD1-NE 2.88Å; D238-R242 VanDerWaalsContact OD1-NE 3.16Å; D238-R242 IonicContact OD1-NH2 3.13Å; D238-R242 PolarHBondContact OD1-NH2 3.1Å; D238-R242 IonicContact OD2-NE 2.73Å; D238-R242 IonicContact OD2-NH2 2.87Å; Q239-R242 PolarHBondContact O-N 3.23Å
243I97.2Very high95Very high0 Ų038.1 Ų38.10%020%0.196CC..Hα-helixtrans-67.2-46.2175.3-68.5162.5000109.8L201 W214 F231 Q239 L240 V241 D245 V246 L247 F305L201-I243 HydrophobicContact CD1-CD1 3.55Å; W214-I243 HydrophobicContact CH2-CG2 3.6Å; W214-I243 HydrophobicContact CZ2-CD1 3.73Å; W214-I243 HydrophobicContact CZ2-CG1 4.01Å; W214-I243 HydrophobicContact CZ2-CG2 3.89Å; F231-I243 HydrophobicContact CB-CG1 4.18Å; F231-I243 HydrophobicContact CD1-CB 4.37Å; F231-I243 HydrophobicContact CD1-CG1 3.8Å; F231-I243 HydrophobicContact CD2-CG1 4.07Å; F231-I243 HydrophobicContact CE1-CB 4.38Å; F231-I243 HydrophobicContact CE1-CG1 4.14Å; F231-I243 HydrophobicContact CE2-CG1 4.39Å; F231-I243 HydrophobicContact CG-CG1 3.76Å; F231-I243 HydrophobicContact CZ-CG1 4.42Å; Q239-I243 HydrophobicContact CG-CD1 4.15Å; Q239-I243 WeakPolarHBondContact O-CD1 3.43Å; Q239-I243 WeakPolarHBondContact O-CG1 3.3Å; Q239-I243 PolarHBondContact O-N 3.49Å; Q239-I243 VanDerWaalsContact O-N 3.08Å; L240-I243 PolarHBondContact O-N 2.97Å; V241-I243 VanDerWaalsContact C-N 3.3Å; V241-I243 PolarHBondContact O-N 2.67Å; I243-D245 PolarHBondContact O-N 2.71Å; I243-V246 PolarHBondContact O-N 2.73Å; I243-V246 VanDerWaalsContact O-N 3.11Å; I243-L247 HydrophobicContact CG2-CD1 3.85Å; I243-L247 HydrophobicContact CG2-CG 4.38Å; I243-L247 PolarHBondContact O-N 2.78Å; I243-F305 HydrophobicContact CG2-CE1 3.66Å; I243-F305 HydrophobicContact CG2-CZ 3.93Å
244T95.6Very high94.9Very high2 Ų241.1 Ų41.11%0.01222%0.217CC..Hα-helixtrans-64.4-37.8-178.5-50.80000112.6L240 V241 V246 G248 A249 L252 F271L240-T244 WeakPolarHBondContact O-CB 3.31Å; L240-T244 PolarHBondContact O-N 3.02Å; L240-T244 PolarHBondContact O-OG1 3.06Å; V241-T244 PolarHBondContact O-N 3.01Å; V241-T244 VanDerWaalsContact O-N 3.1Å; T244-V246 PolarHBondContact O-N 2.88Å; T244-V246 VanDerWaalsContact O-N 3.09Å; T244-G248 CarbonylContact O-C 3.18Å; T244-G248 VanDerWaalsContact O-CA 3.28Å; T244-G248 WeakPolarHBondContact O-CA 3.37Å; T244-G248 PolarHBondContact O-N 3.35Å; T244-A249 VanDerWaalsContact CG2-CA 3.41Å; T244-A249 HydrophobicContact CG2-CB 3.71Å; T244-L252 HydrophobicContact CG2-CD2 3.98Å; T244-L252 VanDerWaalsContact OG1-CD2 3.3Å; T244-L252 WeakPolarHBondContact OG1-CD2 3.01Å; T244-F271 HydrophobicContact CG2-CD1 3.64Å; T244-F271 HydrophobicContact CG2-CE1 4.16Å; T244-F271 HydrophobicContact CG2-CG 4.4Å; T244-F271 WeakPolarHBondContact OG1-CE1 3.36Å
245D94.4Very high94.9Very high27 Ų2733.5 Ų33.514%0.14418%0.184CC..Hα-helixtrans-62.2-15.8175.1-78.3-19.7000113.8V241 I243 T272 K277V241-D245 PolarHBondContact O-N 2.91Å; I243-D245 PolarHBondContact O-N 2.71Å; D245-T272 PolarHBondContact OD1-OG1 3.19Å; D245-T272 VanDerWaalsContact OD1-OG1 3.06Å; D245-K277 WeakPolarHBondContact O-CD 3.42Å; D245-K277 WeakPolarHBondContact O-CE 3.41Å; D245-K277 PolarHBondContact O-NZ 3.31Å
246V96.2Very high94.9Very high8 Ų830.5 Ų30.55%0.04817%0.167CC..Hα-helixtrans-104.8-52.8177.7179.30000110.5F230 F231 I243 T244 K277 W279 F282F230-V246 HydrophobicContact CE1-CG1 4.32Å; F230-V246 HydrophobicContact CE1-CG2 4.46Å; F231-V246 HydrophobicContact CD1-CG2 4.41Å; F231-V246 HydrophobicContact CE1-CB 3.89Å; F231-V246 HydrophobicContact CE1-CG1 4.32Å; F231-V246 HydrophobicContact CE1-CG2 3.81Å; I243-V246 PolarHBondContact O-N 2.73Å; I243-V246 VanDerWaalsContact O-N 3.11Å; T244-V246 PolarHBondContact O-N 2.88Å; T244-V246 VanDerWaalsContact O-N 3.09Å; V246-K277 PolarHBondContact O-N 3.22Å; V246-W279 HydrophobicContact CG1-CH2 3.96Å; V246-W279 HydrophobicContact CG1-CZ3 3.73Å; V246-F282 HydrophobicContact CB-CZ 4.4Å; V246-F282 HydrophobicContact CG1-CE2 3.8Å; V246-F282 HydrophobicContact CG1-CZ 3.85Å; V246-F282 HydrophobicContact CG2-CZ 3.82Å
247L96.6Very high95Very high1 Ų136.8 Ų36.81%0.00519%0.188CC..Hα-helixtrans-84-10.9-173.3-61-175.4000113.6W214 I243 R276 W279 L303 F305W214-L247 HydrophobicContact CH2-CD1 3.61Å; W214-L247 HydrophobicContact CZ3-CD1 3.94Å; I243-L247 HydrophobicContact CG2-CD1 3.85Å; I243-L247 HydrophobicContact CG2-CG 4.38Å; I243-L247 PolarHBondContact O-N 2.78Å; L247-R276 WeakPolarHBondContact O-CB 3.48Å; L247-W279 HydrophobicContact CD2-CH2 3.83Å; L247-W279 HydrophobicContact CD2-CZ2 3.82Å; L247-L303 HydrophobicContact CD1-CB 4.47Å; L247-L303 WeakPolarHBondContact CD1-O 3.41Å; L247-L303 HydrophobicContact CD2-CB 4.42Å; L247-F305 HydrophobicContact CB-CD2 4.17Å; L247-F305 HydrophobicContact CB-CE2 3.35Å; L247-F305 HydrophobicContact CB-CZ 3.67Å; L247-F305 HydrophobicContact CD1-CE1 4.48Å; L247-F305 HydrophobicContact CD1-CE2 4.22Å; L247-F305 HydrophobicContact CD1-CZ 4.19Å; L247-F305 HydrophobicContact CG-CE2 4.44Å
248G94.4Very high95Very high3 Ų340.2 Ų40.23%0.03120%0.201CC..  trans92.2135.8176.700000113.4T244 T250 F305T244-G248 CarbonylContact O-C 3.18Å; T244-G248 VanDerWaalsContact O-CA 3.28Å; T244-G248 WeakPolarHBondContact O-CA 3.37Å; T244-G248 PolarHBondContact O-N 3.35Å; G248-T250 VanDerWaalsContact C-N 3.29Å; G248-T250 PolarHBondContact O-N 3.08Å; G248-F305 WeakPolarHBondContact O-CE2 3.4Å
249A93.1Very high95.1Very high9 Ų941.3 Ų41.37%0.07420%0.203CC..Hα-helixtrans-66.6-29.3179.200000113.4T244 L252 L253 F271T244-A249 VanDerWaalsContact CG2-CA 3.41Å; T244-A249 HydrophobicContact CG2-CB 3.71Å; A249-L252 PolarHBondContact O-N 2.81Å; A249-L253 WeakPolarHBondContact O-CB 3.42Å; A249-L253 VanDerWaalsContact O-CG 3.25Å; A249-L253 WeakPolarHBondContact O-CG 3.24Å; A249-L253 PolarHBondContact O-N 3.43Å; A249-F271 HydrophobicContact CB-CB 4.38Å
250T92.7Very high95Very high98 Ų9850.3 Ų50.360%0.60124%0.243SC*.Hα-helixtrans-63.5-43.8-179.8-59.80000111.4G248 L253 S254G248-T250 VanDerWaalsContact C-N 3.29Å; G248-T250 PolarHBondContact O-N 3.08Å; T250-L253 PolarHBondContact O-N 2.82Å; T250-S254 VanDerWaalsContact O-CB 3.29Å; T250-S254 WeakPolarHBondContact O-CB 3.18Å; T250-S254 PolarHBondContact O-N 3.03Å; T250-S254 PolarHBondContact O-OG 3.13Å
251D93.2Very high95Very high69 Ų6951.1 Ų51.137%0.36925%0.247SC..Hα-helixtrans-68.1-41.1-179.5-68.85.4000111.1W255 R276 F305D251-W255 PolarHBondContact O-N 2.74Å; D251-W255 VanDerWaalsContact O-N 3.09Å; D251-R276 IonicContact OD2-NH1 3.23Å; D251-R276 PolarHBondContact OD2-NH1 2.66Å; D251-F305 HydrophobicContact CB-CD2 3.69Å; D251-F305 HydrophobicContact CB-CE2 4.09Å
252L94.4Very high94.9Very high1 Ų156.8 Ų56.81%0.00528%0.277CS..Hα-helixtrans-58.9-53174.7174.161.6000111.5V202 L240 T244 A249 S254 W255 I256 F271 F305V202-L252 HydrophobicContact CG1-CD1 4.04Å; L240-L252 HydrophobicContact CD1-CD1 4.32Å; L240-L252 HydrophobicContact CD1-CD2 4.19Å; L240-L252 HydrophobicContact CG-CD2 4.38Å; T244-L252 HydrophobicContact CG2-CD2 3.98Å; T244-L252 VanDerWaalsContact OG1-CD2 3.3Å; T244-L252 WeakPolarHBondContact OG1-CD2 3.01Å; A249-L252 PolarHBondContact O-N 2.81Å; L252-S254 VanDerWaalsContact C-N 3.33Å; L252-S254 PolarHBondContact O-N 3.38Å; L252-W255 HydrophobicContact CD1-CE3 4.05Å; L252-W255 HydrophobicContact CD1-CZ3 4.23Å; L252-W255 PolarHBondContact O-N 3.45Å; L252-I256 HydrophobicContact CD1-CD1 3.74Å; L252-I256 HydrophobicContact CD1-CG1 4.24Å; L252-I256 HydrophobicContact CG-CD1 3.86Å; L252-I256 WeakPolarHBondContact O-CG1 3.47Å; L252-I256 PolarHBondContact O-N 3.07Å; L252-F271 HydrophobicContact CD2-CE1 3.92Å; L252-F271 HydrophobicContact CD2-CZ 3.98Å; L252-F305 HydrophobicContact CB-CD1 4.21Å; L252-F305 HydrophobicContact CB-CD2 4.12Å; L252-F305 HydrophobicContact CB-CE1 3.94Å; L252-F305 HydrophobicContact CB-CE2 3.81Å; L252-F305 HydrophobicContact CB-CG 4.3Å; L252-F305 HydrophobicContact CB-CZ 3.73Å; L252-F305 HydrophobicContact CD1-CD1 3.75Å; L252-F305 HydrophobicContact CD1-CE1 3.78Å; L252-F305 HydrophobicContact CD1-CG 4.41Å; L252-F305 HydrophobicContact CD1-CZ 4.44Å; L252-F305 HydrophobicContact CG-CE1 4.3Å; L252-F305 HydrophobicContact CG-CZ 4.49Å
253L92.8Very high94.5Very high93 Ų9353.6 Ų53.649%0.48727%0.265SS..Hα-helixtrans-66.5-36.7-176.8-68174.9000111.8A249 T250 I256 Y257A249-L253 WeakPolarHBondContact O-CB 3.42Å; A249-L253 VanDerWaalsContact O-CG 3.25Å; A249-L253 WeakPolarHBondContact O-CG 3.24Å; A249-L253 PolarHBondContact O-N 3.43Å; T250-L253 PolarHBondContact O-N 2.82Å; L253-I256 PolarHBondContact O-N 3.42Å; L253-Y257 VanDerWaalsContact O-CB 3.3Å; L253-Y257 WeakPolarHBondContact O-CB 3.37Å; L253-Y257 PolarHBondContact O-N 3.3Å
254S93.9Very high93.9Very high63 Ų6360.4 Ų60.444%0.44130%0.297SS..Hα-helixtrans-61.4-45.1175.5-610000111.3T250 L252 Y257 E258T250-S254 VanDerWaalsContact O-CB 3.29Å; T250-S254 WeakPolarHBondContact O-CB 3.18Å; T250-S254 PolarHBondContact O-N 3.03Å; T250-S254 PolarHBondContact O-OG 3.13Å; L252-S254 VanDerWaalsContact C-N 3.33Å; L252-S254 PolarHBondContact O-N 3.38Å; S254-Y257 PolarHBondContact O-N 2.8Å; S254-E258 VanDerWaalsContact O-CB 3.3Å; S254-E258 WeakPolarHBondContact O-CB 3.4Å; S254-E258 PolarHBondContact O-N 2.75Å
255W95.9Very high93Very high5 Ų563.8 Ų63.82%0.01932%0.319CS..Hα-helixtrans-64.6-47.3176.6169.753.4000112.4P198 E199 V202 Y204 D251 L252 Y257 E258 Y259 I261 F305 D306 P307P198-W255 HydrophobicContact CB-CH2 4.07Å; P198-W255 HydrophobicContact CB-CZ3 3.69Å; E199-W255 HydrophobicContact CB-CH2 4.21Å; E199-W255 HydrophobicContact CB-CZ2 4.49Å; V202-W255 HydrophobicContact CG1-CZ3 4.21Å; V202-W255 HydrophobicContact CG2-CH2 3.57Å; V202-W255 HydrophobicContact CG2-CZ3 3.7Å; Y204-W255 HydrophobicContact CD1-CZ2 4.49Å; D251-W255 PolarHBondContact O-N 2.74Å; D251-W255 VanDerWaalsContact O-N 3.09Å; L252-W255 HydrophobicContact CD1-CE3 4.05Å; L252-W255 HydrophobicContact CD1-CZ3 4.23Å; L252-W255 PolarHBondContact O-N 3.45Å; W255-Y257 VanDerWaalsContact C-N 3.27Å; W255-Y257 PolarHBondContact O-N 2.88Å; W255-E258 PolarHBondContact O-N 3.49Å; W255-Y259 AromaticContact CD1-CD2 3.3Å; W255-Y259 AromaticContact CD1-CE2 3.45Å; W255-Y259 VanDerWaalsContact CD1-CE2 3.45Å; W255-Y259 HydrophobicContact CG-CD2 4.43Å; W255-Y259 AromaticContact NE1-CD2 3.55Å; W255-Y259 AromaticContact NE1-CE2 3.74Å; W255-Y259 AromaticContact NE1-CG 3.83Å; W255-Y259 WeakPolarHBondContact O-CD2 3.4Å; W255-Y259 PolarHBondContact O-N 3.32Å; W255-I261 HydrophobicContact CD2-CD1 4.15Å; W255-I261 HydrophobicContact CE3-CD1 4.43Å; W255-I261 HydrophobicContact CH2-CD1 3.99Å; W255-I261 HydrophobicContact CZ2-CD1 3.65Å; W255-I261 HydrophobicContact CZ3-CD1 4.36Å; W255-F305 HydrophobicContact CB-CB 4.39Å; W255-F305 HydrophobicContact CD2-CB 4.31Å; W255-F305 HydrophobicContact CE3-CB 3.93Å; W255-D306 HydrophobicContact CG-CB 4.17Å; W255-P307 HydrophobicContact CZ2-CG 4.21Å
256I95.6Very high92.3Very high18 Ų1865.1 Ų65.19%0.09233%0.328CS..Hα-helixtrans-55.3-45.2176.1-73.9169.5000111.1V202 L252 L253 K260 I261 F263V202-I256 HydrophobicContact CG1-CD1 4.14Å; L252-I256 HydrophobicContact CD1-CD1 3.74Å; L252-I256 HydrophobicContact CD1-CG1 4.24Å; L252-I256 HydrophobicContact CG-CD1 3.86Å; L252-I256 WeakPolarHBondContact O-CG1 3.47Å; L252-I256 PolarHBondContact O-N 3.07Å; L253-I256 PolarHBondContact O-N 3.42Å; I256-K260 WeakPolarHBondContact O-CA 3.11Å; I256-K260 PolarHBondContact O-N 3.49Å; I256-I261 HydrophobicContact CG1-CD1 4.33Å; I256-I261 HydrophobicContact CG2-CB 4.23Å; I256-I261 PolarHBondContact O-N 3.31Å; I256-F263 HydrophobicContact CD1-CB 4.21Å; I256-F263 HydrophobicContact CD1-CD1 3.56Å; I256-F263 HydrophobicContact CD1-CE1 4.05Å; I256-F263 HydrophobicContact CD1-CG 3.89Å; I256-F263 HydrophobicContact CG2-CB 4.06Å
257Y95.3Very high91.1Very high198 Ų19870.7 Ų70.778%0.77636%0.364SS*.Hα-helixtrans-66.9-47.7179.6-179.5-96.6000112.4L253 S254 W255 Y259 K260L253-Y257 VanDerWaalsContact O-CB 3.3Å; L253-Y257 WeakPolarHBondContact O-CB 3.37Å; L253-Y257 PolarHBondContact O-N 3.3Å; S254-Y257 PolarHBondContact O-N 2.8Å; W255-Y257 VanDerWaalsContact C-N 3.27Å; W255-Y257 PolarHBondContact O-N 2.88Å; Y257-Y259 VanDerWaalsContact C-N 3.27Å; Y257-Y259 PolarHBondContact O-N 2.88Å; Y257-K260 PolarHBondContact O-N 3.33Å; Y257-K260 VanDerWaalsContact O-N 3.17Å
258E96.4Very high89.9Confident115 Ų11577 Ų7754%0.53740%0.398SS..Hα-helixtrans-56.4-42.3179.5179.1176.7-17500111.5S254 W255 K309S254-E258 VanDerWaalsContact O-CB 3.3Å; S254-E258 WeakPolarHBondContact O-CB 3.4Å; S254-E258 PolarHBondContact O-N 2.75Å; W255-E258 PolarHBondContact O-N 3.49Å; E258-K309 IonicContact OE1-NZ 2.62Å; E258-K309 IonicContact OE2-NZ 3.54Å; E258-K309 PolarHBondContact OE2-NZ 3.35Å; E258-K309 VanDerWaalsContact OE2-NZ 3.13Å
259Y95.8Very high88.9Confident47 Ų4777.7 Ų77.718%0.18440%0.401CS..THydrogen-bonded Turntrans-92.4-0.6-177.3-74.9-108.1000113.8Y204 W255 Y257 I261 D306 Q308Y204-Y259 HydrophobicContact CE2-CD1 4.35Å; W255-Y259 AromaticContact CD1-CD2 3.3Å; W255-Y259 AromaticContact CD1-CE2 3.45Å; W255-Y259 VanDerWaalsContact CD1-CE2 3.45Å; W255-Y259 HydrophobicContact CG-CD2 4.43Å; W255-Y259 AromaticContact NE1-CD2 3.55Å; W255-Y259 AromaticContact NE1-CE2 3.74Å; W255-Y259 AromaticContact NE1-CG 3.83Å; W255-Y259 WeakPolarHBondContact O-CD2 3.4Å; W255-Y259 PolarHBondContact O-N 3.32Å; Y257-Y259 VanDerWaalsContact C-N 3.27Å; Y257-Y259 PolarHBondContact O-N 2.88Å; Y259-I261 PolarHBondContact O-N 2.89Å; Y259-D306 WeakPolarHBondContact CE2-OD2 3.26Å; Y259-D306 PolarHBondContact OH-OD1 2.91Å; Y259-D306 PolarHBondContact OH-OD2 2.92Å; Y259-D306 VanDerWaalsContact OH-OD2 3.09Å; Y259-Q308 HydrophobicContact CE1-CG 4.37Å; Y259-Q308 WeakPolarHBondContact OH-CB 3.48Å; Y259-Q308 VanDerWaalsContact OH-CG 3.26Å; Y259-Q308 WeakPolarHBondContact OH-CG 3.31Å; Y259-Q308 PolarHBondContact OH-NE2 2.96Å; Y259-Q308 PolarHBondContact OH-OE1 3.05Å
260K95.7Very high88Confident189 Ų18984.7 Ų84.782%0.82243%0.432SS*.THydrogen-bonded Turntrans5143-176.1-55.6176.9-1761760112.1I256 Y257 D262I256-K260 WeakPolarHBondContact O-CA 3.11Å; I256-K260 PolarHBondContact O-N 3.49Å; Y257-K260 PolarHBondContact O-N 3.33Å; Y257-K260 VanDerWaalsContact O-N 3.17Å; K260-D262 PolarHBondContact O-N 2.77Å
261I94.8Very high87.1Confident18 Ų1882 Ų829%0.09241%0.412CS..  trans-68.5126.7179.5-54.1179.5000107.9V202 Y204 W255 I256 Y259 F263V202-I261 HydrophobicContact CB-CG2 4.4Å; V202-I261 HydrophobicContact CG2-CD1 4.02Å; V202-I261 HydrophobicContact CG2-CG2 3.99Å; Y204-I261 HydrophobicContact CD2-CD1 3.99Å; Y204-I261 HydrophobicContact CD2-CG1 3.89Å; Y204-I261 HydrophobicContact CG-CD1 4.17Å; W255-I261 HydrophobicContact CD2-CD1 4.15Å; W255-I261 HydrophobicContact CE3-CD1 4.43Å; W255-I261 HydrophobicContact CH2-CD1 3.99Å; W255-I261 HydrophobicContact CZ2-CD1 3.65Å; W255-I261 HydrophobicContact CZ3-CD1 4.36Å; I256-I261 HydrophobicContact CG1-CD1 4.33Å; I256-I261 HydrophobicContact CG2-CB 4.23Å; I256-I261 PolarHBondContact O-N 3.31Å; Y259-I261 PolarHBondContact O-N 2.89Å; I261-F263 HydrophobicContact CG2-CB 4.34Å; I261-F263 PolarHBondContact O-N 2.8Å
262D92.4Very high86Confident131 Ų13182 Ų8270%0.70142%0.415SS*.  trans-73.679.2176.3-169.926.4000110.2K260 H264K260-D262 PolarHBondContact O-N 2.77Å; D262-H264 IonicContact OD1-CE1 2.71Å; D262-H264 PolarHBondContact OD1-CE1 2.78Å; D262-H264 IonicContact OD1-NE2 2.67Å; D262-H264 PolarHBondContact OD1-NE2 2.53Å
263F89.2Confident84.9Confident30 Ų3088.6 Ų88.613%0.13246%0.459CS..  trans-112.2115.6-176178.8-106.6000110.1V202 L240 I256 I261 P265 F271V202-F263 HydrophobicContact CB-CD2 3.82Å; V202-F263 HydrophobicContact CB-CE2 4.27Å; V202-F263 HydrophobicContact CB-CG 4.42Å; V202-F263 HydrophobicContact CG1-CD2 4.13Å; V202-F263 HydrophobicContact CG1-CE2 4.16Å; L240-F263 HydrophobicContact CD2-CE2 3.75Å; L240-F263 HydrophobicContact CD2-CZ 3.65Å; I256-F263 HydrophobicContact CD1-CB 4.21Å; I256-F263 HydrophobicContact CD1-CD1 3.56Å; I256-F263 HydrophobicContact CD1-CE1 4.05Å; I256-F263 HydrophobicContact CD1-CG 3.89Å; I256-F263 HydrophobicContact CG2-CB 4.06Å; I261-F263 HydrophobicContact CG2-CB 4.34Å; I261-F263 PolarHBondContact O-N 2.8Å; F263-P265 HydrophobicContact CD1-CG 4.48Å; F263-P265 HydrophobicContact CE1-CB 3.78Å; F263-P265 HydrophobicContact CE1-CG 4.08Å; F263-P265 HydrophobicContact CZ-CB 4.11Å; F263-P265 WeakPolarHBondContact O-CD 3.33Å; F263-F271 AromaticContact CE1-CE2 3.93Å; F263-F271 HydrophobicContact CE1-CE2 3.93Å; F263-F271 HydrophobicContact CE1-CZ 4.18Å; F263-F271 HydrophobicContact CZ-CE2 4.09Å; F263-F271 AromaticContact CZ-CZ 3.95Å; F263-F271 HydrophobicContact CZ-CZ 3.95Å
264H83.5Confident83.9Confident144 Ų14486 Ų8667%0.66745%0.451SS*.  trans-108.899.3175.4-62.6-41.7000109.7D262 T266D262-H264 IonicContact OD1-CE1 2.71Å; D262-H264 PolarHBondContact OD1-CE1 2.78Å; D262-H264 IonicContact OD1-NE2 2.67Å; D262-H264 PolarHBondContact OD1-NE2 2.53Å; H264-T266 PolarHBondContact O-N 3.01Å
265P77.7Confident83.6Confident73 Ų7387.5 Ų87.547%0.47446%0.461SS..  trans-64.2133.7-179.921.9-29.1000111.2F263 Q269 F271F263-P265 HydrophobicContact CD1-CG 4.48Å; F263-P265 HydrophobicContact CE1-CB 3.78Å; F263-P265 HydrophobicContact CE1-CG 4.08Å; F263-P265 HydrophobicContact CZ-CB 4.11Å; F263-P265 WeakPolarHBondContact O-CD 3.33Å; P265-Q269 HydrophobicContact CB-CB 4.21Å; P265-F271 HydrophobicContact CB-CE2 4.03Å
266T78.1Confident83.6Confident54 Ų5490.8 Ų90.833%0.33147%0.474SS..  trans-74.2158.8174.265.90000110.2H264 D268 Q269H264-T266 PolarHBondContact O-N 3.01Å; T266-D268 PolarHBondContact O-N 2.66Å; T266-D268 VanDerWaalsContact O-N 3.11Å; T266-Q269 WeakPolarHBondContact O-CB 3.44Å; T266-Q269 PolarHBondContact O-N 2.84Å
267P71.3Confident83.5Confident125 Ų12593.3 Ų93.381%0.81248%0.484SS*.THydrogen-bonded Turntrans-55.9-27.5173.6-26.235.4000113.6Q269P267-Q269 PolarHBondContact O-N 3.22Å
268D71.1Confident83.6Confident133 Ų13389.7 Ų89.771%0.71147%0.474SS*.THydrogen-bonded Turntrans-73.8-11.1176.2-57.2-43000113.3V237 T266 E270V237-D268 HydrophobicContact CG1-CB 4.29Å; T266-D268 PolarHBondContact O-N 2.66Å; T266-D268 VanDerWaalsContact O-N 3.11Å; D268-E270 VanDerWaalsContact C-N 3.28Å; D268-E270 PolarHBondContact O-N 2.77Å
269Q73.6Confident83.7Confident18 Ų1884.4 Ų84.48%0.08445%0.449CS..  trans-87.269.5173.3-70.7175.4-52.200109.9V237 V241 P265 T266 P267 F271V237-Q269 HydrophobicContact CB-CG 4.44Å; V237-Q269 HydrophobicContact CG1-CG 3.47Å; V237-Q269 VanDerWaalsContact CG1-CG 3.47Å; V241-Q269 HydrophobicContact CG2-CB 4.42Å; V241-Q269 HydrophobicContact CG2-CG 4.29Å; P265-Q269 HydrophobicContact CB-CB 4.21Å; T266-Q269 WeakPolarHBondContact O-CB 3.44Å; T266-Q269 PolarHBondContact O-N 2.84Å; P267-Q269 PolarHBondContact O-N 3.22Å; Q269-F271 HydrophobicContact CB-CD2 4.45Å; Q269-F271 HydrophobicContact CB-CE2 3.96Å; Q269-F271 HydrophobicContact CB-CZ 4.05Å; Q269-F271 HydrophobicContact CG-CZ 4.4Å; Q269-F271 PolarHBondContact O-N 2.95Å
270E73.8Confident83.7Confident157 Ų15786.3 Ų86.373%0.73447%0.466SS*.  trans-71.179.6167.9-68.8-173.3172.400109.4D268 T272D268-E270 VanDerWaalsContact C-N 3.28Å; D268-E270 PolarHBondContact O-N 2.77Å; E270-T272 PolarHBondContact O-N 2.91Å
271F75.4Confident83.8Confident41 Ų4183.4 Ų83.418%0.1846%0.455CS..  trans-65.6110.4167-61.7-57.4000108.1L240 V241 T244 A249 L252 F263 P265 Q269 C273L240-F271 HydrophobicContact CD2-CE1 4.4Å; L240-F271 HydrophobicContact CD2-CZ 3.96Å; L240-F271 HydrophobicContact CG-CE1 4.14Å; L240-F271 HydrophobicContact CG-CZ 4.21Å; V241-F271 HydrophobicContact CG2-CD1 4.46Å; V241-F271 HydrophobicContact CG2-CE1 4.24Å; T244-F271 HydrophobicContact CG2-CD1 3.64Å; T244-F271 HydrophobicContact CG2-CE1 4.16Å; T244-F271 HydrophobicContact CG2-CG 4.4Å; T244-F271 WeakPolarHBondContact OG1-CE1 3.36Å; A249-F271 HydrophobicContact CB-CB 4.38Å; L252-F271 HydrophobicContact CD2-CE1 3.92Å; L252-F271 HydrophobicContact CD2-CZ 3.98Å; F263-F271 AromaticContact CE1-CE2 3.93Å; F263-F271 HydrophobicContact CE1-CE2 3.93Å; F263-F271 HydrophobicContact CE1-CZ 4.18Å; F263-F271 HydrophobicContact CZ-CE2 4.09Å; F263-F271 AromaticContact CZ-CZ 3.95Å; F263-F271 HydrophobicContact CZ-CZ 3.95Å; P265-F271 HydrophobicContact CB-CE2 4.03Å; Q269-F271 HydrophobicContact CB-CD2 4.45Å; Q269-F271 HydrophobicContact CB-CE2 3.96Å; Q269-F271 HydrophobicContact CB-CZ 4.05Å; Q269-F271 HydrophobicContact CG-CZ 4.4Å; Q269-F271 PolarHBondContact O-N 2.95Å; F271-C273 PolarHBondContact O-N 3.41Å
272T70.4Confident83.9Confident70 Ų7084.1 Ų84.143%0.42946%0.458SS..  trans-59.6136.8167.962.60000107.8D245 E270 A274D245-T272 PolarHBondContact OD1-OG1 3.19Å; D245-T272 VanDerWaalsContact OD1-OG1 3.06Å; E270-T272 PolarHBondContact O-N 2.91Å; T272-A274 PolarHBondContact O-N 2.84Å; T272-A274 WeakPolarHBondContact OG1-CB 3.27Å
273C70.6Confident84.2Confident138 Ų13882.5 Ų82.593%0.93245%0.445SS*.  trans-69.425170.1-71.70000111.9F271F271-C273 PolarHBondContact O-N 3.41Å
274A72Confident84.5Confident38 Ų3884.5 Ų84.531%0.31446%0.457SS..PPolyproline II helixtrans-67138.4-179.800000109.7T272T272-A274 PolarHBondContact O-N 2.84Å; T272-A274 WeakPolarHBondContact OG1-CB 3.27Å
275S87.9Confident85.1Confident95 Ų9581.4 Ų81.466%0.66446%0.456SS*.PPolyproline II helixtrans-63.5157.8167.156.50000110.3K277S275-K277 PolarHBondContact O-N 2.78Å
276R94.1Very high86Confident74 Ų7487.2 Ų87.228%0.27947%0.47SS..PPolyproline II helixtrans-47.1137.6167.2-178.2178.7-173.6132.3-3.6110.1L247 D251 D300L247-R276 WeakPolarHBondContact O-CB 3.48Å; D251-R276 IonicContact OD2-NH1 3.23Å; D251-R276 PolarHBondContact OD2-NH1 2.66Å; R276-D300 IonicContact CZ-OD1 2.63Å; R276-D300 IonicContact NE-OD1 3.81Å; R276-D300 IonicContact NH2-OD1 3.85Å; R276-D300 PolarHBondContact NH2-OD1 2.85Å
277K95.3Very high86.9Confident71 Ų7184.7 Ų84.731%0.30945%0.454SS..PPolyproline II helixtrans-89.1130.2172.8-68175.6-177.7148.90108.7D245 V246 S275 F282D245-K277 WeakPolarHBondContact O-CD 3.42Å; D245-K277 WeakPolarHBondContact O-CE 3.41Å; D245-K277 PolarHBondContact O-NZ 3.31Å; V246-K277 PolarHBondContact O-N 3.22Å; S275-K277 PolarHBondContact O-N 2.78Å; K277-F282 HydrophobicContact CB-CE2 4.28Å; K277-F282 HydrophobicContact CB-CZ 4.45Å; K277-F282 HydrophobicContact CD-CZ 4.06Å
278E96.6Very high88.2Confident122 Ų12283.9 Ų83.957%0.5744%0.439SS*.PPolyproline II helixtrans-60.1139.4166.6-63.8-56133.300109.9T280 H281E278-T280 WeakPolarHBondContact CB-OG1 3.4Å; E278-T280 PolarHBondContact O-N 2.82Å; E278-T280 VanDerWaalsContact O-N 3.1Å; E278-H281 WeakPolarHBondContact O-CB 3.43Å; E278-H281 PolarHBondContact O-N 3.42Å
279W98Very high89.4Confident4 Ų482.1 Ų82.12%0.01543%0.427CS..G310 helixtrans-59-26.9-179.9-68.5118.6000113.4F225 F230 V246 L247 H281 F282 L296 L299 D300 L303F225-W279 HydrophobicContact CE2-CD2 4.47Å; F225-W279 AromaticContact CE2-CE3 3.65Å; F225-W279 HydrophobicContact CE2-CE3 3.65Å; F225-W279 HydrophobicContact CE2-CZ3 4.14Å; F225-W279 HydrophobicContact CZ-CB 4.02Å; F225-W279 HydrophobicContact CZ-CD2 4.32Å; F225-W279 AromaticContact CZ-CE3 3.79Å; F225-W279 HydrophobicContact CZ-CE3 3.79Å; F225-W279 HydrophobicContact CZ-CG 4.44Å; F230-W279 HydrophobicContact CE1-CH2 4.47Å; F230-W279 AromaticContact CE1-CZ3 3.79Å; F230-W279 HydrophobicContact CE1-CZ3 3.79Å; F230-W279 HydrophobicContact CZ-CE3 4.38Å; F230-W279 AromaticContact CZ-CZ3 3.75Å; F230-W279 HydrophobicContact CZ-CZ3 3.75Å; V246-W279 HydrophobicContact CG1-CH2 3.96Å; V246-W279 HydrophobicContact CG1-CZ3 3.73Å; L247-W279 HydrophobicContact CD2-CH2 3.83Å; L247-W279 HydrophobicContact CD2-CZ2 3.82Å; W279-H281 PolarHBondContact O-N 3.05Å; W279-H281 VanDerWaalsContact O-N 3.14Å; W279-F282 HydrophobicContact CE3-CD2 4.05Å; W279-F282 HydrophobicContact CE3-CE2 4.18Å; W279-F282 HydrophobicContact CZ3-CE2 4.42Å; W279-F282 PolarHBondContact O-N 2.6Å; W279-L296 HydrophobicContact CB-CB 4.04Å; W279-L296 HydrophobicContact CB-CD1 3.94Å; W279-L296 HydrophobicContact CB-CD2 3.71Å; W279-L296 HydrophobicContact CB-CG 4.07Å; W279-L296 HydrophobicContact CG-CB 4.41Å; W279-L296 HydrophobicContact CG-CD2 4.43Å; W279-L299 HydrophobicContact CD2-CB 4.37Å; W279-L299 HydrophobicContact CD2-CD1 4.27Å; W279-L299 HydrophobicContact CE3-CD1 4.39Å; W279-L299 HydrophobicContact CZ2-CB 4.13Å; W279-D300 VanDerWaalsContact NE1-CG 3.31Å; W279-D300 PolarHBondContact NE1-OD1 3.42Å; W279-L303 HydrophobicContact CH2-CB 4.39Å; W279-L303 HydrophobicContact CH2-CD1 3.58Å; W279-L303 HydrophobicContact CZ2-CB 4.21Å; W279-L303 HydrophobicContact CZ2-CD1 4.02Å; W279-L303 HydrophobicContact CZ3-CD1 4.44Å
280T96.7Very high90.6Very high88 Ų8881.3 Ų81.354%0.5442%0.423SS..G310 helixtrans-58.4-22.3173.754.90000113E278 F282 K283 L296E278-T280 WeakPolarHBondContact CB-OG1 3.4Å; E278-T280 PolarHBondContact O-N 2.82Å; E278-T280 VanDerWaalsContact O-N 3.1Å; T280-F282 PolarHBondContact O-N 2.9Å; T280-K283 VanDerWaalsContact O-CB 3.25Å; T280-K283 WeakPolarHBondContact O-CB 3.17Å; T280-K283 PolarHBondContact O-N 3.43Å; T280-K283 VanDerWaalsContact O-N 3.11Å; T280-L296 HydrophobicContact CG2-CD1 3.82Å
281H96.8Very high91.7Very high128 Ų12874 Ų7459%0.59339%0.389SS*.G310 helixtrans-60.6-28.4172.9-177.474.5000113.1E278 W279E278-H281 WeakPolarHBondContact O-CB 3.43Å; E278-H281 PolarHBondContact O-N 3.42Å; W279-H281 PolarHBondContact O-N 3.05Å; W279-H281 VanDerWaalsContact O-N 3.14Å
282F97.7Very high92.8Very high33 Ų3376.4 Ų76.415%0.14540%0.4CS..G310 helixtrans-93.8-0.4179.4-54-78.6000112.7F225 F230 V246 K277 W279 T280 N287F225-F282 HydrophobicContact CB-CB 4.41Å; F225-F282 HydrophobicContact CD1-CB 3.39Å; F225-F282 HydrophobicContact CD2-CB 4.32Å; F225-F282 HydrophobicContact CE1-CB 3.63Å; F225-F282 HydrophobicContact CE2-CB 4.5Å; F225-F282 HydrophobicContact CG-CB 3.78Å; F225-F282 HydrophobicContact CZ-CB 4.19Å; F230-F282 HydrophobicContact CE2-CD1 4.12Å; F230-F282 HydrophobicContact CE2-CD2 4.5Å; F230-F282 HydrophobicContact CE2-CE1 4.5Å; F230-F282 HydrophobicContact CE2-CG 4.13Å; F230-F282 HydrophobicContact CZ-CD1 4.15Å; F230-F282 HydrophobicContact CZ-CD2 4.08Å; F230-F282 HydrophobicContact CZ-CE1 4.15Å; F230-F282 HydrophobicContact CZ-CE2 4.09Å; F230-F282 HydrophobicContact CZ-CG 4.12Å; F230-F282 HydrophobicContact CZ-CZ 4.13Å; V246-F282 HydrophobicContact CB-CZ 4.4Å; V246-F282 HydrophobicContact CG1-CE2 3.8Å; V246-F282 HydrophobicContact CG1-CZ 3.85Å; V246-F282 HydrophobicContact CG2-CZ 3.82Å; K277-F282 HydrophobicContact CB-CE2 4.28Å; K277-F282 HydrophobicContact CB-CZ 4.45Å; K277-F282 HydrophobicContact CD-CZ 4.06Å; W279-F282 HydrophobicContact CE3-CD2 4.05Å; W279-F282 HydrophobicContact CE3-CE2 4.18Å; W279-F282 HydrophobicContact CZ3-CE2 4.42Å; W279-F282 PolarHBondContact O-N 2.6Å; T280-F282 PolarHBondContact O-N 2.9Å; F282-N287 PolarHBondContact O-ND2 2.82Å
283K97.3Very high94.1Very high97 Ų9781.4 Ų81.442%0.42242%0.418SS..  trans-75.5136.4176.3-172.8176.5176.9175.30110.6T280 N287 E288 A291T280-K283 VanDerWaalsContact O-CB 3.25Å; T280-K283 WeakPolarHBondContact O-CB 3.17Å; T280-K283 PolarHBondContact O-N 3.43Å; T280-K283 VanDerWaalsContact O-N 3.11Å; K283-N287 WeakPolarHBondContact CA-OD1 3.37Å; K283-E288 HydrophobicContact CD-CB 4.32Å; K283-E288 HydrophobicContact CG-CB 4.1Å; K283-A291 HydrophobicContact CB-CB 4.44Å; K283-A291 HydrophobicContact CD-CB 4.45Å; K283-A291 HydrophobicContact CG-CB 4.18Å
284N97Very high95.4Very high72 Ų7276.7 Ų76.739%0.38538%0.384SS..  trans-148.1175.4173.763.355.8000110.3Y286 N287 E288N284-Y286 PolarHBondContact O-N 2.83Å; N284-Y286 VanDerWaalsContact O-N 3.09Å; N284-Y286 WeakPolarHBondContact OD1-CA 3.3Å; N284-Y286 WeakPolarHBondContact OD1-CB 3.49Å; N284-Y286 PolarHBondContact OD1-N 3.2Å; N284-N287 PolarHBondContact N-OD1 3.35Å; N284-N287 PolarHBondContact ND2-ND2 3.07Å; N284-N287 PolarHBondContact O-N 2.83Å; N284-N287 VanDerWaalsContact O-N 3.11Å; N284-N287 PolarHBondContact O-OD1 2.77Å; N284-N287 PolarHBondContact OD1-N 2.83Å; N284-E288 WeakPolarHBondContact O-CB 3.48Å; N284-E288 PolarHBondContact O-N 2.94Å
285A96.6Very high96.7Very high79 Ų7974.9 Ų74.965%0.65337%0.369SS*.THydrogen-bonded Turntrans-58.5-25-177.300000114.1
286Y95.6Very high97.2Very high195 Ų19571.1 Ų71.177%0.76534%0.341SS*.THydrogen-bonded Turntrans-84.5-18.4-178.8-56.8-76.7000113.5N284 H289N284-Y286 PolarHBondContact O-N 2.83Å; N284-Y286 VanDerWaalsContact O-N 3.09Å; N284-Y286 WeakPolarHBondContact OD1-CA 3.3Å; N284-Y286 WeakPolarHBondContact OD1-CB 3.49Å; N284-Y286 PolarHBondContact OD1-N 3.2Å; Y286-H289 PolarHBondContact O-CE1 3.48Å
287N97.6Very high97.4Very high0 Ų070.5 Ų70.50%034%0.344CS..THydrogen-bonded Turntrans-126.9-2.1-173.974.815.6000114.1I224 F225 R226 F282 K283 N284 H289 L290 A291I224-N287 WeakPolarHBondContact O-CB 3.1Å; F225-N287 WeakPolarHBondContact CA-ND2 3.03Å; F225-N287 PolarHBondContact O-ND2 3.12Å; F225-N287 VanDerWaalsContact O-ND2 3.11Å; R226-N287 HydrophobicContact CG-CB 4.24Å; F282-N287 PolarHBondContact O-ND2 2.82Å; K283-N287 WeakPolarHBondContact CA-OD1 3.37Å; N284-N287 PolarHBondContact N-OD1 3.35Å; N284-N287 PolarHBondContact ND2-ND2 3.07Å; N284-N287 PolarHBondContact O-N 2.83Å; N284-N287 VanDerWaalsContact O-N 3.11Å; N284-N287 PolarHBondContact O-OD1 2.77Å; N284-N287 PolarHBondContact OD1-N 2.83Å; N287-H289 PolarHBondContact O-N 3.47Å; N287-H289 VanDerWaalsContact O-N 3.11Å; N287-L290 WeakPolarHBondContact O-CA 3.22Å; N287-L290 WeakPolarHBondContact O-CB 3.12Å; N287-L290 PolarHBondContact O-N 2.85Å; N287-A291 PolarHBondContact O-N 2.84Å
288E97.3Very high97.6Very high108 Ų10867.1 Ų67.151%0.50533%0.329SS..THydrogen-bonded Turntrans-58.7-28-176.659.2170.4-150.100114.6K283 N284 L290K283-E288 HydrophobicContact CD-CB 4.32Å; K283-E288 HydrophobicContact CG-CB 4.1Å; N284-E288 WeakPolarHBondContact O-CB 3.48Å; N284-E288 PolarHBondContact O-N 2.94Å; E288-L290 PolarHBondContact O-N 3.47Å
289H97.2Very high97.7Very high97 Ų9761.3 Ų61.345%0.44930%0.302SS..THydrogen-bonded Turntrans-73.7-14.917763.8-85.4000113Y286 N287 K292Y286-H289 PolarHBondContact O-CE1 3.48Å; N287-H289 PolarHBondContact O-N 3.47Å; N287-H289 VanDerWaalsContact O-N 3.11Å; H289-K292 VanDerWaalsContact O-CE 3.29Å; H289-K292 WeakPolarHBondContact O-CE 3.35Å
290L98.2Very high97.7Very high1 Ų163.6 Ų63.61%0.00531%0.314CS..THydrogen-bonded Turntrans-103.4-38.7175.4-53.3177000111.8D128 I131 R226 N287 E288 K292D128-L290 HydrophobicContact CB-CD2 3.76Å; I131-L290 HydrophobicContact CD1-CD1 4.09Å; I131-L290 HydrophobicContact CD1-CD2 4.01Å; R226-L290 VanDerWaalsContact CZ-CD1 3.47Å; N287-L290 WeakPolarHBondContact O-CA 3.22Å; N287-L290 WeakPolarHBondContact O-CB 3.12Å; N287-L290 PolarHBondContact O-N 2.85Å; E288-L290 PolarHBondContact O-N 3.47Å; L290-K292 PolarHBondContact O-N 2.88Å
291A98Very high97.8Very high3 Ų364.4 Ų64.43%0.02531%0.307CS..  trans-7753.8-18000000112.3I224 F225 K283 N287 L296I224-A291 HydrophobicContact CG2-CB 3.9Å; F225-A291 HydrophobicContact CE1-CB 4.28Å; K283-A291 HydrophobicContact CB-CB 4.44Å; K283-A291 HydrophobicContact CD-CB 4.45Å; K283-A291 HydrophobicContact CG-CB 4.18Å; N287-A291 PolarHBondContact O-N 2.84Å; A291-L296 HydrophobicContact CB-CD2 4.13Å
292K97.5Very high97.9Very high92 Ų9258.3 Ų58.340%0.428%0.279SS..  trans-76.1155.7174.4-66.2176.2-178.7169.60110.4D128 H289 L290 D294 A295 L296D128-K292 IonicContact OD2-NZ 3.16Å; D128-K292 PolarHBondContact OD2-NZ 3.08Å; H289-K292 VanDerWaalsContact O-CE 3.29Å; H289-K292 WeakPolarHBondContact O-CE 3.35Å; L290-K292 PolarHBondContact O-N 2.88Å; K292-D294 VanDerWaalsContact C-N 3.28Å; K292-D294 VanDerWaalsContact CB-OD1 3.27Å; K292-D294 WeakPolarHBondContact CB-OD1 3.46Å; K292-D294 PolarHBondContact O-N 3.01Å; K292-A295 WeakPolarHBondContact O-CA 3.47Å; K292-A295 VanDerWaalsContact O-CB 3.3Å; K292-A295 WeakPolarHBondContact O-CB 3.37Å; K292-A295 PolarHBondContact O-N 3.03Å; K292-L296 WeakPolarHBondContact O-CG 3.27Å; K292-L296 PolarHBondContact O-N 2.92Å
293E98Very high97.9Very high174 Ų17456.8 Ų56.881%0.81327%0.272SS*.Hα-helixtrans-53-44.1-176.4-173.9177.517900112.8A295 L296 D297E293-A295 VanDerWaalsContact C-N 3.29Å; E293-A295 PolarHBondContact O-N 2.8Å; E293-L296 PolarHBondContact O-N 3.38Å; E293-D297 WeakPolarHBondContact O-CB 3.31Å; E293-D297 PolarHBondContact O-N 2.91Å
294D98.1Very high98Very high39 Ų3953.6 Ų53.621%0.20926%0.261CS..Hα-helixtrans-63.6-32.2178.165-10.8000113.8R132 K292 F298R132-D294 IonicContact CZ-OD1 3.32Å; R132-D294 IonicContact CZ-OD2 3.91Å; R132-D294 IonicContact NH1-OD1 3.67Å; R132-D294 IonicContact NH1-OD2 3.31Å; R132-D294 PolarHBondContact NH1-OD2 3.5Å; R132-D294 IonicContact NH2-OD1 4Å; R132-D294 PolarHBondContact NH2-OD1 2.96Å; R132-D294 IonicContact NH2-OD2 3.12Å; R132-D294 PolarHBondContact NH2-OD2 3.4Å; K292-D294 VanDerWaalsContact C-N 3.28Å; K292-D294 VanDerWaalsContact CB-OD1 3.27Å; K292-D294 WeakPolarHBondContact CB-OD1 3.46Å; K292-D294 PolarHBondContact O-N 3.01Å; D294-F298 VanDerWaalsContact O-CB 3.32Å; D294-F298 WeakPolarHBondContact O-CB 2.85Å; D294-F298 PolarHBondContact O-N 3.18Å
295A98.6Very high98Very high0 Ų050.4 Ų50.40%024%0.244CC..Hα-helixtrans-73.3-42.1176.800000111.1I224 K292 E293 F298 L299 Y321I224-A295 HydrophobicContact CD1-CB 3.79Å; K292-A295 WeakPolarHBondContact O-CA 3.47Å; K292-A295 VanDerWaalsContact O-CB 3.3Å; K292-A295 WeakPolarHBondContact O-CB 3.37Å; K292-A295 PolarHBondContact O-N 3.03Å; E293-A295 VanDerWaalsContact C-N 3.29Å; E293-A295 PolarHBondContact O-N 2.8Å; A295-F298 PolarHBondContact O-N 3.28Å; A295-L299 WeakPolarHBondContact O-CG 3.23Å; A295-L299 PolarHBondContact O-N 3.2Å; A295-Y321 VanDerWaalsContact CA-CD2 3.41Å; A295-Y321 HydrophobicContact CB-CD2 3.66Å; A295-Y321 HydrophobicContact CB-CE2 3.38Å
296L98.6Very high98Very high17 Ų1747 Ų479%0.08921%0.214CC..Hα-helixtrans-67.6-44.4177-55.5-169.6000111.1F225 W279 T280 A291 K292 E293 F298 L299 D300F225-L296 HydrophobicContact CE1-CD2 4.03Å; F225-L296 HydrophobicContact CZ-CD2 3.81Å; W279-L296 HydrophobicContact CB-CB 4.04Å; W279-L296 HydrophobicContact CB-CD1 3.94Å; W279-L296 HydrophobicContact CB-CD2 3.71Å; W279-L296 HydrophobicContact CB-CG 4.07Å; W279-L296 HydrophobicContact CG-CB 4.41Å; W279-L296 HydrophobicContact CG-CD2 4.43Å; T280-L296 HydrophobicContact CG2-CD1 3.82Å; A291-L296 HydrophobicContact CB-CD2 4.13Å; K292-L296 WeakPolarHBondContact O-CG 3.27Å; K292-L296 PolarHBondContact O-N 2.92Å; E293-L296 PolarHBondContact O-N 3.38Å; L296-F298 VanDerWaalsContact C-N 3.27Å; L296-F298 PolarHBondContact O-N 3.16Å; L296-L299 WeakPolarHBondContact O-CB 3.26Å; L296-L299 PolarHBondContact O-N 2.92Å; L296-L299 VanDerWaalsContact O-N 3.13Å; L296-D300 PolarHBondContact O-N 3.14Å
297D98.5Very high98.1Very high61 Ų6138.1 Ų38.133%0.32618%0.181SC..Hα-helixtrans-61.9-33.6174.6175.466.2000112.1E293 R301 H319E293-D297 WeakPolarHBondContact O-CB 3.31Å; E293-D297 PolarHBondContact O-N 2.91Å; D297-R301 PolarHBondContact O-NH1 3.06Å; D297-R301 VanDerWaalsContact O-NH1 3.12Å; D297-R301 IonicContact OD1-CZ 3.61Å; D297-R301 IonicContact OD1-NH1 2.74Å; D297-R301 PolarHBondContact OD1-NH1 3.4Å; D297-R301 IonicContact OD1-NH2 3.56Å; D297-R301 IonicContact OD2-CZ 3.7Å; D297-R301 IonicContact OD2-NH1 2.72Å; D297-R301 PolarHBondContact OD2-NH1 3.3Å; D297-R301 IonicContact OD2-NH2 3.91Å; D297-H319 IonicContact OD2-CE1 3.13Å; D297-H319 PolarHBondContact OD2-CE1 2.98Å; D297-H319 IonicContact OD2-NE2 3.15Å; D297-H319 PolarHBondContact OD2-NE2 2.87Å; D297-H319 VanDerWaalsContact OD2-NE2 3.15Å
298F98.8Very high98.1Very high0 Ų045 Ų450%021%0.213CC..Hα-helixtrans-69.2-42.9172.1-172.5-130000112.3I135 L139 M216 L220 D294 A295 L296 D300 R301 V302 I311 A316 H319 Y321 F322I135-F298 HydrophobicContact CG2-CE1 4.43Å; L139-F298 HydrophobicContact CD1-CZ 4.25Å; M216-F298 HydrophobicContact CE-CZ 4.46Å; L220-F298 HydrophobicContact CD2-CD1 3.43Å; L220-F298 VanDerWaalsContact CD2-CD1 3.43Å; L220-F298 HydrophobicContact CD2-CE1 3.59Å; D294-F298 VanDerWaalsContact O-CB 3.32Å; D294-F298 WeakPolarHBondContact O-CB 2.85Å; D294-F298 PolarHBondContact O-N 3.18Å; A295-F298 PolarHBondContact O-N 3.28Å; L296-F298 VanDerWaalsContact C-N 3.27Å; L296-F298 PolarHBondContact O-N 3.16Å; F298-D300 VanDerWaalsContact C-N 3.25Å; F298-D300 PolarHBondContact O-N 3.25Å; F298-R301 PolarHBondContact O-N 3.43Å; F298-R301 VanDerWaalsContact O-N 3.1Å; F298-V302 HydrophobicContact CD1-CG2 4.42Å; F298-V302 HydrophobicContact CD2-CG2 4.09Å; F298-V302 HydrophobicContact CE1-CG2 4.06Å; F298-V302 HydrophobicContact CE2-CG2 3.71Å; F298-V302 HydrophobicContact CG-CG2 4.42Å; F298-V302 HydrophobicContact CZ-CG2 3.68Å; F298-V302 WeakPolarHBondContact O-CG2 3.38Å; F298-V302 PolarHBondContact O-N 3Å; F298-I311 HydrophobicContact CE2-CD1 4.49Å; F298-A316 HydrophobicContact CE2-CB 3.72Å; F298-A316 HydrophobicContact CZ-CB 3.82Å; F298-H319 VanDerWaalsContact CA-CE1 3.46Å; F298-H319 WeakPolarHBondContact CA-CE1 3.46Å; F298-H319 HydrophobicContact CD2-CB 3.81Å; F298-H319 AromaticContact CD2-CD2 3.86Å; F298-H319 AromaticContact CD2-CE1 3.97Å; F298-H319 AromaticContact CD2-CG 3.43Å; F298-H319 VanDerWaalsContact CD2-CG 3.43Å; F298-H319 AromaticContact CD2-ND1 3.5Å; F298-H319 WeakPolarHBondContact CD2-ND1 3.27Å; F298-H319 HydrophobicContact CE2-CB 4.03Å; F298-H319 AromaticContact CG-ND1 3.76Å; F298-H319 PolarHBondContact N-CE1 3.48Å; F298-Y321 HydrophobicContact CB-CD1 4.47Å; F298-Y321 HydrophobicContact CB-CG 4.11Å; F298-Y321 AromaticContact CD1-CD1 3.48Å; F298-Y321 HydrophobicContact CD1-CD1 3.48Å; F298-Y321 VanDerWaalsContact CD1-CD1 3.48Å; F298-Y321 HydrophobicContact CD1-CE1 4.07Å; F298-Y321 AromaticContact CD1-CG 3.98Å; F298-Y321 HydrophobicContact CD1-CG 3.98Å; F298-Y321 AromaticContact CE1-CD1 3.97Å; F298-Y321 HydrophobicContact CE1-CD1 3.97Å; F298-Y321 HydrophobicContact CE1-CE1 4.44Å; F298-Y321 HydrophobicContact CG-CD1 4.12Å; F298-Y321 HydrophobicContact CG-CG 4.21Å; F298-F322 HydrophobicContact CD1-CE2 4.49Å; F298-F322 HydrophobicContact CD1-CZ 4.46Å; F298-F322 AromaticContact CE1-CE2 3.85Å; F298-F322 HydrophobicContact CE1-CE2 3.85Å; F298-F322 AromaticContact CE1-CZ 3.73Å; F298-F322 HydrophobicContact CE1-CZ 3.73Å; F298-F322 HydrophobicContact CE2-CE2 4.11Å; F298-F322 AromaticContact CZ-CE2 3.64Å; F298-F322 HydrophobicContact CZ-CE2 3.64Å; F298-F322 AromaticContact CZ-CZ 3.92Å; F298-F322 HydrophobicContact CZ-CZ 3.92Å
299L98.8Very high98.1Very high0 Ų045.7 Ų45.70%021%0.214CC..Hα-helixtrans-59.2-36.6175.1-73.7176000112L220 A221 I224 F225 W279 A295 L296 R301 V302 L303L220-L299 HydrophobicContact CB-CD2 4.28Å; L220-L299 HydrophobicContact CD2-CD2 3.95Å; L220-L299 HydrophobicContact CG-CD2 3.95Å; A221-L299 HydrophobicContact CB-CD1 4.42Å; A221-L299 HydrophobicContact CB-CD2 4.06Å; I224-L299 HydrophobicContact CD1-CD1 3.89Å; I224-L299 HydrophobicContact CD1-CG 4.16Å; F225-L299 HydrophobicContact CE2-CD1 3.58Å; F225-L299 HydrophobicContact CZ-CD1 3.87Å; W279-L299 HydrophobicContact CD2-CB 4.37Å; W279-L299 HydrophobicContact CD2-CD1 4.27Å; W279-L299 HydrophobicContact CE3-CD1 4.39Å; W279-L299 HydrophobicContact CZ2-CB 4.13Å; A295-L299 WeakPolarHBondContact O-CG 3.23Å; A295-L299 PolarHBondContact O-N 3.2Å; L296-L299 WeakPolarHBondContact O-CB 3.26Å; L296-L299 PolarHBondContact O-N 2.92Å; L296-L299 VanDerWaalsContact O-N 3.13Å; L299-R301 PolarHBondContact O-N 3.29Å; L299-V302 PolarHBondContact O-N 3.36Å; L299-L303 HydrophobicContact CD2-CD1 4.06Å; L299-L303 PolarHBondContact O-N 2.9Å
300D98.3Very high98.1Very high51 Ų5141.6 Ų41.627%0.27320%0.195SC..Hα-helixtrans-62.6-28.2176-79.9-37.7000113.9R276 W279 L296 F298 V304R276-D300 IonicContact CZ-OD1 2.63Å; R276-D300 IonicContact NE-OD1 3.81Å; R276-D300 IonicContact NH2-OD1 3.85Å; R276-D300 PolarHBondContact NH2-OD1 2.85Å; W279-D300 VanDerWaalsContact NE1-CG 3.31Å; W279-D300 PolarHBondContact NE1-OD1 3.42Å; L296-D300 PolarHBondContact O-N 3.14Å; F298-D300 VanDerWaalsContact C-N 3.25Å; F298-D300 PolarHBondContact O-N 3.25Å; D300-V304 WeakPolarHBondContact O-CG2 3.27Å
301R98.5Very high98.1Very high106 Ų10642.4 Ų42.440%0.420%0.199SC..Hα-helixtrans-87-21.9176.3-68.1-173.317871.21.6113.6D297 F298 L299 I311 H319D297-R301 PolarHBondContact O-NH1 3.06Å; D297-R301 VanDerWaalsContact O-NH1 3.12Å; D297-R301 IonicContact OD1-CZ 3.61Å; D297-R301 IonicContact OD1-NH1 2.74Å; D297-R301 PolarHBondContact OD1-NH1 3.4Å; D297-R301 IonicContact OD1-NH2 3.56Å; D297-R301 IonicContact OD2-CZ 3.7Å; D297-R301 IonicContact OD2-NH1 2.72Å; D297-R301 PolarHBondContact OD2-NH1 3.3Å; D297-R301 IonicContact OD2-NH2 3.91Å; F298-R301 PolarHBondContact O-N 3.43Å; F298-R301 VanDerWaalsContact O-N 3.1Å; L299-R301 PolarHBondContact O-N 3.29Å; R301-I311 HydrophobicContact CB-CB 4.14Å; R301-I311 HydrophobicContact CB-CD1 4.29Å; R301-I311 HydrophobicContact CB-CG2 4.21Å; R301-I311 WeakPolarHBondContact O-CG2 3.39Å; R301-I311 PolarHBondContact O-N 3.04Å; R301-H319 PolarHBondContact NH1-NE2 3.25Å
302V98.7Very high98.2Very high0 Ų045.5 Ų45.50%022%0.218CC..Hα-helixtrans-94.2-47.4-176174.40000111.6I213 M216 F298 L299 V304 I311I213-V302 HydrophobicContact CG2-CG1 3.91Å; I213-V302 WeakPolarHBondContact O-CG1 3.45Å; M216-V302 HydrophobicContact CE-CG1 3.96Å; M216-V302 HydrophobicContact CE-CG2 4.25Å; F298-V302 HydrophobicContact CD1-CG2 4.42Å; F298-V302 HydrophobicContact CD2-CG2 4.09Å; F298-V302 HydrophobicContact CE1-CG2 4.06Å; F298-V302 HydrophobicContact CE2-CG2 3.71Å; F298-V302 HydrophobicContact CG-CG2 4.42Å; F298-V302 HydrophobicContact CZ-CG2 3.68Å; F298-V302 WeakPolarHBondContact O-CG2 3.38Å; F298-V302 PolarHBondContact O-N 3Å; L299-V302 PolarHBondContact O-N 3.36Å; V302-V304 PolarHBondContact O-N 3.03Å; V302-I311 HydrophobicContact CG2-CG2 3.67Å
303L98.7Very high98.2Very high0 Ų041.2 Ų41.20%020%0.199CC..SBendtrans-93.368.9-176.7-65.3178.1000110.9W214 A221 F231 L247 W279 L299W214-L303 HydrophobicContact CD2-CD2 4.08Å; W214-L303 HydrophobicContact CE3-CD2 4.02Å; W214-L303 HydrophobicContact CH2-CD2 4.32Å; W214-L303 HydrophobicContact CZ2-CD2 4.34Å; W214-L303 HydrophobicContact CZ3-CB 4.37Å; W214-L303 HydrophobicContact CZ3-CD2 4.16Å; A221-L303 HydrophobicContact CB-CD1 4.1Å; F231-L303 HydrophobicContact CE2-CD1 4.19Å; F231-L303 HydrophobicContact CE2-CD2 4.38Å; F231-L303 HydrophobicContact CZ-CD1 4.38Å; L247-L303 HydrophobicContact CD1-CB 4.47Å; L247-L303 WeakPolarHBondContact CD1-O 3.41Å; L247-L303 HydrophobicContact CD2-CB 4.42Å; W279-L303 HydrophobicContact CH2-CB 4.39Å; W279-L303 HydrophobicContact CH2-CD1 3.58Å; W279-L303 HydrophobicContact CZ2-CB 4.21Å; W279-L303 HydrophobicContact CZ2-CD1 4.02Å; W279-L303 HydrophobicContact CZ3-CD1 4.44Å; L299-L303 HydrophobicContact CD2-CD1 4.06Å; L299-L303 PolarHBondContact O-N 2.9Å
304V98.3Very high98.3Very high30 Ų3034.9 Ų34.918%0.18217%0.174CC..  trans-113.4138.5178.9-177.50000109.6D300 V302 K309 R310D300-V304 WeakPolarHBondContact O-CG2 3.27Å; V302-V304 PolarHBondContact O-N 3.03Å; V304-K309 HydrophobicContact CG1-CB 4.04Å; V304-R310 HydrophobicContact CB-CG 3.83Å; V304-R310 PolarHBondContact O-NE 3.04Å; V304-R310 PolarHBondContact O-NH2 2.82Å
305F98Very high98.3Very high6 Ų637.7 Ų37.73%0.02619%0.186CC..SBendtrans-59.2-53.5178-78.7-65.8000112.2P198 I243 L247 G248 D251 L252 W255 P307 R310P198-F305 HydrophobicContact CB-CD1 3.8Å; P198-F305 HydrophobicContact CB-CE1 4.35Å; P198-F305 HydrophobicContact CG-CD1 3.7Å; P198-F305 HydrophobicContact CG-CE1 4.15Å; I243-F305 HydrophobicContact CG2-CE1 3.66Å; I243-F305 HydrophobicContact CG2-CZ 3.93Å; L247-F305 HydrophobicContact CB-CD2 4.17Å; L247-F305 HydrophobicContact CB-CE2 3.35Å; L247-F305 HydrophobicContact CB-CZ 3.67Å; L247-F305 HydrophobicContact CD1-CE1 4.48Å; L247-F305 HydrophobicContact CD1-CE2 4.22Å; L247-F305 HydrophobicContact CD1-CZ 4.19Å; L247-F305 HydrophobicContact CG-CE2 4.44Å; G248-F305 WeakPolarHBondContact O-CE2 3.4Å; D251-F305 HydrophobicContact CB-CD2 3.69Å; D251-F305 HydrophobicContact CB-CE2 4.09Å; L252-F305 HydrophobicContact CB-CD1 4.21Å; L252-F305 HydrophobicContact CB-CD2 4.12Å; L252-F305 HydrophobicContact CB-CE1 3.94Å; L252-F305 HydrophobicContact CB-CE2 3.81Å; L252-F305 HydrophobicContact CB-CG 4.3Å; L252-F305 HydrophobicContact CB-CZ 3.73Å; L252-F305 HydrophobicContact CD1-CD1 3.75Å; L252-F305 HydrophobicContact CD1-CE1 3.78Å; L252-F305 HydrophobicContact CD1-CG 4.41Å; L252-F305 HydrophobicContact CD1-CZ 4.44Å; L252-F305 HydrophobicContact CG-CE1 4.3Å; L252-F305 HydrophobicContact CG-CZ 4.49Å; W255-F305 HydrophobicContact CB-CB 4.39Å; W255-F305 HydrophobicContact CD2-CB 4.31Å; W255-F305 HydrophobicContact CE3-CB 3.93Å; F305-P307 VanDerWaalsContact O-CD 3.24Å; F305-P307 WeakPolarHBondContact O-CD 3.35Å; F305-R310 PolarHBondContact O-NH2 2.91Å
306D97.5Very high98.3Very high6 Ų637.7 Ų37.73%0.03219%0.186CC..SBendtrans-67.2112.7179.5-175.3-16.7000110.8W255 Y259 Q308 K309 R310W255-D306 HydrophobicContact CG-CB 4.17Å; Y259-D306 WeakPolarHBondContact CE2-OD2 3.26Å; Y259-D306 PolarHBondContact OH-OD1 2.91Å; Y259-D306 PolarHBondContact OH-OD2 2.92Å; Y259-D306 VanDerWaalsContact OH-OD2 3.09Å; D306-Q308 PolarHBondContact O-N 2.81Å; D306-Q308 WeakPolarHBondContact OD1-CB 3.36Å; D306-Q308 PolarHBondContact OD1-N 2.86Å; D306-K309 HydrophobicContact CB-CB 4.06Å; D306-K309 HydrophobicContact CB-CD 3.95Å; D306-K309 HydrophobicContact CB-CG 3.98Å; D306-K309 PolarHBondContact O-N 3.03Å; D306-K309 VanDerWaalsContact O-N 3.09Å; D306-K309 WeakPolarHBondContact OD2-CE 3.46Å; D306-K309 WeakPolarHBondContact OD2-CG 3.34Å; D306-K309 IonicContact OD2-NZ 3.66Å; D306-K309 PolarHBondContact OD2-NZ 3.03Å; D306-R310 PolarHBondContact O-N 2.88Å
307P97.3Very high98.3Very high9 Ų938 Ų386%0.05819%0.187CC..THydrogen-bonded Turntrans-62.6-25.1179.725.2-32.3000113.6S210 W255 F305 K309S210-P307 VanDerWaalsContact CB-O 3.3Å; S210-P307 WeakPolarHBondContact CB-O 3.15Å; S210-P307 WeakPolarHBondContact OG-CB 3.37Å; W255-P307 HydrophobicContact CZ2-CG 4.21Å; F305-P307 VanDerWaalsContact O-CD 3.24Å; F305-P307 WeakPolarHBondContact O-CD 3.35Å; P307-K309 VanDerWaalsContact C-N 3.34Å
308Q96.1Very high98.2Very high145 Ų14541.9 Ų41.968%0.67820%0.201SC*.THydrogen-bonded Turntrans-77.8-21.2177-59.3-169.811.200112.8Y259 D306Y259-Q308 HydrophobicContact CE1-CG 4.37Å; Y259-Q308 WeakPolarHBondContact OH-CB 3.48Å; Y259-Q308 VanDerWaalsContact OH-CG 3.26Å; Y259-Q308 WeakPolarHBondContact OH-CG 3.31Å; Y259-Q308 PolarHBondContact OH-NE2 2.96Å; Y259-Q308 PolarHBondContact OH-OE1 3.05Å; D306-Q308 PolarHBondContact O-N 2.81Å; D306-Q308 WeakPolarHBondContact OD1-CB 3.36Å; D306-Q308 PolarHBondContact OD1-N 2.86Å
309K97.7Very high98.2Very high123 Ų12342.6 Ų42.654%0.53521%0.205SC..THydrogen-bonded Turntrans-92.5-8.6176.5-63.2-179.5-180104.40112.6E258 V304 D306 P307E258-K309 IonicContact OE1-NZ 2.62Å; E258-K309 IonicContact OE2-NZ 3.54Å; E258-K309 PolarHBondContact OE2-NZ 3.35Å; E258-K309 VanDerWaalsContact OE2-NZ 3.13Å; V304-K309 HydrophobicContact CG1-CB 4.04Å; D306-K309 HydrophobicContact CB-CB 4.06Å; D306-K309 HydrophobicContact CB-CD 3.95Å; D306-K309 HydrophobicContact CB-CG 3.98Å; D306-K309 PolarHBondContact O-N 3.03Å; D306-K309 VanDerWaalsContact O-N 3.09Å; D306-K309 WeakPolarHBondContact OD2-CE 3.46Å; D306-K309 WeakPolarHBondContact OD2-CG 3.34Å; D306-K309 IonicContact OD2-NZ 3.66Å; D306-K309 PolarHBondContact OD2-NZ 3.03Å; P307-K309 VanDerWaalsContact C-N 3.34Å
310R98.3Very high98.2Very high11 Ų1145.2 Ų45.24%0.04223%0.226CC..SBendtrans-70.1138.9173.8-71179.8-145149.49110.2E199 S210 V304 F305 D306E199-R310 VanDerWaalsContact CD-NH1 3.32Å; E199-R310 IonicContact OE1-CZ 3.37Å; E199-R310 IonicContact OE1-NH1 3.64Å; E199-R310 PolarHBondContact OE1-NH1 3.35Å; E199-R310 IonicContact OE1-NH2 2.72Å; E199-R310 IonicContact OE2-CZ 2.68Å; E199-R310 IonicContact OE2-NH1 2.92Å; E199-R310 PolarHBondContact OE2-NH1 2.97Å; E199-R310 VanDerWaalsContact OE2-NH1 3.1Å; E199-R310 IonicContact OE2-NH2 3.24Å; E199-R310 PolarHBondContact OE2-NH2 3.24Å; S210-R310 PolarHBondContact O-NH1 3.37Å; V304-R310 HydrophobicContact CB-CG 3.83Å; V304-R310 PolarHBondContact O-NE 3.04Å; V304-R310 PolarHBondContact O-NH2 2.82Å; F305-R310 PolarHBondContact O-NH2 2.91Å; D306-R310 PolarHBondContact O-N 2.88Å
311I98.7Very high98.2Very high18 Ų1842.9 Ų42.99%0.09221%0.213CC..PPolyproline II helixtrans-57.6141.3174.3-164.8165.3000111.5I213 F298 R301 V302 E315 A316I213-I311 HydrophobicContact CG2-CG2 4.28Å; I213-I311 WeakPolarHBondContact CG2-O 3.31Å; F298-I311 HydrophobicContact CE2-CD1 4.49Å; R301-I311 HydrophobicContact CB-CB 4.14Å; R301-I311 HydrophobicContact CB-CD1 4.29Å; R301-I311 HydrophobicContact CB-CG2 4.21Å; R301-I311 WeakPolarHBondContact O-CG2 3.39Å; R301-I311 PolarHBondContact O-N 3.04Å; V302-I311 HydrophobicContact CG2-CG2 3.67Å; I311-E315 HydrophobicContact CD1-CB 3.93Å; I311-E315 HydrophobicContact CG1-CB 3.41Å; I311-E315 VanDerWaalsContact CG1-CB 3.41Å; I311-A316 HydrophobicContact CD1-CB 4.19Å; I311-A316 HydrophobicContact CG1-CB 4.25Å; I311-A316 HydrophobicContact CG2-CB 4.19Å
312T98.8Very high98.2Very high68 Ų6837.8 Ų37.842%0.41719%0.194SC..PPolyproline II helixtrans-78.1164.3173.162.60000111.7S314 E315 A316T312-S314 VanDerWaalsContact C-N 3.32Å; T312-S314 PolarHBondContact O-N 2.72Å; T312-E315 WeakPolarHBondContact CB-OE2 3.06Å; T312-E315 WeakPolarHBondContact CG2-OE2 3.19Å; T312-E315 PolarHBondContact N-OE2 3.05Å; T312-E315 PolarHBondContact O-N 2.86Å; T312-E315 WeakPolarHBondContact OG1-CB 3.15Å; T312-E315 WeakPolarHBondContact OG1-CG 3.27Å; T312-E315 PolarHBondContact OG1-N 2.76Å; T312-E315 PolarHBondContact OG1-OE2 2.88Å; T312-A316 VanDerWaalsContact O-CB 3.23Å; T312-A316 WeakPolarHBondContact O-CB 3.44Å; T312-A316 PolarHBondContact O-N 3.21Å
313A98.8Very high98.1Very high1 Ų139.2 Ų39.21%0.00821%0.206CC..Hα-helixtrans-57.9-44.6175.700000112.1L139 L142 D143 I213 E315 A316 M317L139-A313 HydrophobicContact CD2-CB 4.24Å; L142-A313 HydrophobicContact CB-CB 4.28Å; D143-A313 HydrophobicContact CB-CB 3.75Å; I213-A313 HydrophobicContact CD1-CB 3.95Å; A313-E315 PolarHBondContact O-N 3.3Å; A313-A316 PolarHBondContact O-N 3.42Å; A313-M317 PolarHBondContact O-N 3.37Å; A313-M317 VanDerWaalsContact O-N 3.08Å
314S98.5Very high97.9Very high41 Ų4141.9 Ų41.929%0.28722%0.223SC..Hα-helixtrans-59.5-42.1176.4-166.40000113.5D143 T312 K318D143-S314 WeakPolarHBondContact OD1-CA 3.49Å; D143-S314 VanDerWaalsContact OD1-CB 3.31Å; D143-S314 WeakPolarHBondContact OD1-CB 3.48Å; D143-S314 PolarHBondContact OD1-N 3.22Å; T312-S314 VanDerWaalsContact C-N 3.32Å; T312-S314 PolarHBondContact O-N 2.72Å; S314-K318 WeakPolarHBondContact O-CD 3.48Å; S314-K318 WeakPolarHBondContact O-CE 3.46Å; S314-K318 WeakPolarHBondContact O-CG 3.4Å; S314-K318 PolarHBondContact OG-NZ 3.18Å
315E98.6Very high97.8Very high99 Ų9940.5 Ų40.546%0.46322%0.215SC..Hα-helixtrans-72.5-39.1177.1-70.6162.815200111.5I311 T312 A313 M317 K318 H319I311-E315 HydrophobicContact CD1-CB 3.93Å; I311-E315 HydrophobicContact CG1-CB 3.41Å; I311-E315 VanDerWaalsContact CG1-CB 3.41Å; T312-E315 WeakPolarHBondContact CB-OE2 3.06Å; T312-E315 WeakPolarHBondContact CG2-OE2 3.19Å; T312-E315 PolarHBondContact N-OE2 3.05Å; T312-E315 PolarHBondContact O-N 2.86Å; T312-E315 WeakPolarHBondContact OG1-CB 3.15Å; T312-E315 WeakPolarHBondContact OG1-CG 3.27Å; T312-E315 PolarHBondContact OG1-N 2.76Å; T312-E315 PolarHBondContact OG1-OE2 2.88Å; A313-E315 PolarHBondContact O-N 3.3Å; E315-M317 VanDerWaalsContact C-N 3.33Å; E315-M317 PolarHBondContact O-N 2.64Å; E315-K318 WeakPolarHBondContact O-CA 3.35Å; E315-K318 WeakPolarHBondContact O-CB 3.42Å; E315-K318 PolarHBondContact O-N 2.67Å; E315-H319 PolarHBondContact O-N 3.16Å
316A98.7Very high97.5Very high0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-58.9-43.8178.600000111.7L139 F298 I311 T312 A313 K318 H319 F322L139-A316 HydrophobicContact CD1-CB 3.78Å; L139-A316 HydrophobicContact CD2-CB 3.71Å; L139-A316 HydrophobicContact CG-CB 4.41Å; F298-A316 HydrophobicContact CE2-CB 3.72Å; F298-A316 HydrophobicContact CZ-CB 3.82Å; I311-A316 HydrophobicContact CD1-CB 4.19Å; I311-A316 HydrophobicContact CG1-CB 4.25Å; I311-A316 HydrophobicContact CG2-CB 4.19Å; T312-A316 VanDerWaalsContact O-CB 3.23Å; T312-A316 WeakPolarHBondContact O-CB 3.44Å; T312-A316 PolarHBondContact O-N 3.21Å; A313-A316 PolarHBondContact O-N 3.42Å; A316-K318 PolarHBondContact O-N 2.88Å; A316-K318 VanDerWaalsContact O-N 3.12Å; A316-H319 WeakPolarHBondContact O-CB 3.22Å; A316-H319 PolarHBondContact O-N 3.08Å; A316-F322 WeakPolarHBondContact O-CD2 3.27Å; A316-F322 WeakPolarHBondContact O-CE2 3.32Å
317M98.2Very high97.1Very high22 Ų2247.9 Ų47.911%0.10825%0.249CC..THydrogen-bonded Turntrans-60.4-22.3175.1-71.9-173.2-73.500113.6Y136 L139 K140 D143 A313 E315 R326Y136-M317 HydrophobicContact CD2-CB 4.26Å; Y136-M317 HydrophobicContact CD2-CG 4.06Å; Y136-M317 HydrophobicContact CE2-CB 3.63Å; Y136-M317 HydrophobicContact CE2-CG 3.8Å; Y136-M317 WeakPolarHBondContact CE2-O 3.39Å; Y136-M317 HydrophobicContact CE2-SD 4.45Å; L139-M317 HydrophobicContact CB-CG 3.62Å; L139-M317 HydrophobicContact CB-SD 4.21Å; L139-M317 HydrophobicContact CD1-CG 4.16Å; L139-M317 HydrophobicContact CG-CG 4.5Å; K140-M317 HydrophobicContact CB-SD 4.37Å; K140-M317 HydrophobicContact CG-SD 3.62Å; D143-M317 HydrophobicContact CB-CE 3.6Å; A313-M317 PolarHBondContact O-N 3.37Å; A313-M317 VanDerWaalsContact O-N 3.08Å; E315-M317 VanDerWaalsContact C-N 3.33Å; E315-M317 PolarHBondContact O-N 2.64Å; M317-R326 PolarHBondContact O-NH1 2.84Å
318K98Very high96.5Very high143 Ų14353.8 Ų53.862%0.62228%0.276SS*.THydrogen-bonded Turntrans-89.2-7.6177.8-61.6163.9-169.6156.30112.8S314 E315 A316S314-K318 WeakPolarHBondContact O-CD 3.48Å; S314-K318 WeakPolarHBondContact O-CE 3.46Å; S314-K318 WeakPolarHBondContact O-CG 3.4Å; S314-K318 PolarHBondContact OG-NZ 3.18Å; E315-K318 WeakPolarHBondContact O-CA 3.35Å; E315-K318 WeakPolarHBondContact O-CB 3.42Å; E315-K318 PolarHBondContact O-N 2.67Å; A316-K318 PolarHBondContact O-N 2.88Å; A316-K318 VanDerWaalsContact O-N 3.12Å
319H98.6Very high95.6Very high16 Ų1651.5 Ų51.57%0.07427%0.268CS..SBendtrans-60.7154.4-177.5-162.2-98.2000113D297 F298 R301 E315 A316 Y321 F322 R326D297-H319 IonicContact OD2-CE1 3.13Å; D297-H319 PolarHBondContact OD2-CE1 2.98Å; D297-H319 IonicContact OD2-NE2 3.15Å; D297-H319 PolarHBondContact OD2-NE2 2.87Å; D297-H319 VanDerWaalsContact OD2-NE2 3.15Å; F298-H319 VanDerWaalsContact CA-CE1 3.46Å; F298-H319 WeakPolarHBondContact CA-CE1 3.46Å; F298-H319 HydrophobicContact CD2-CB 3.81Å; F298-H319 AromaticContact CD2-CD2 3.86Å; F298-H319 AromaticContact CD2-CE1 3.97Å; F298-H319 AromaticContact CD2-CG 3.43Å; F298-H319 VanDerWaalsContact CD2-CG 3.43Å; F298-H319 AromaticContact CD2-ND1 3.5Å; F298-H319 WeakPolarHBondContact CD2-ND1 3.27Å; F298-H319 HydrophobicContact CE2-CB 4.03Å; F298-H319 AromaticContact CG-ND1 3.76Å; F298-H319 PolarHBondContact N-CE1 3.48Å; R301-H319 PolarHBondContact NH1-NE2 3.25Å; E315-H319 PolarHBondContact O-N 3.16Å; A316-H319 WeakPolarHBondContact O-CB 3.22Å; A316-H319 PolarHBondContact O-N 3.08Å; H319-Y321 WeakPolarHBondContact ND1-CB 3.24Å; H319-Y321 PolarHBondContact ND1-N 2.82Å; H319-Y321 VanDerWaalsContact ND1-N 3.17Å; H319-Y321 PolarHBondContact O-N 2.84Å; H319-F322 HydrophobicContact CB-CD2 4.38Å; H319-F322 PolarHBondContact O-N 2.9Å; H319-F322 VanDerWaalsContact O-N 3.12Å; H319-R326 PolarHBondContact O-NH1 3.41Å; H319-R326 PolarHBondContact O-NH2 3.28Å; H319-R326 VanDerWaalsContact O-NH2 3.08Å
320A98.1Very high94.4Very high55 Ų5551.9 Ų51.946%0.45527%0.27SS..G310 helixtrans-60.5-29.3177.800000112.6F322 A323A320-F322 PolarHBondContact O-N 3.07Å; A320-F322 VanDerWaalsContact O-N 3.11Å; A320-A323 WeakPolarHBondContact O-CB 3.38Å; A320-A323 PolarHBondContact O-N 3.43Å
321Y98.5Very high92.3Very high1 Ų156.7 Ų56.70%0.00430%0.303CS..G310 helixtrans-55.9-26.3174.2-176.8-114.6000113.9I131 R132 L220 A295 F298 H319I131-Y321 WeakPolarHBondContact CG2-OH 3.34Å; R132-Y321 HydrophobicContact CG-CD1 4.42Å; R132-Y321 HydrophobicContact CG-CD2 4.46Å; R132-Y321 HydrophobicContact CG-CE1 3.8Å; R132-Y321 HydrophobicContact CG-CE2 3.84Å; R132-Y321 VanDerWaalsContact CG-CZ 3.46Å; R132-Y321 VanDerWaalsContact NH1-CD2 3.34Å; R132-Y321 PolarHBondContact NH1-O 3.48Å; L220-Y321 HydrophobicContact CD1-CE1 4.24Å; L220-Y321 HydrophobicContact CD2-CE1 4.28Å; A295-Y321 VanDerWaalsContact CA-CD2 3.41Å; A295-Y321 HydrophobicContact CB-CD2 3.66Å; A295-Y321 HydrophobicContact CB-CE2 3.38Å; F298-Y321 HydrophobicContact CB-CD1 4.47Å; F298-Y321 HydrophobicContact CB-CG 4.11Å; F298-Y321 AromaticContact CD1-CD1 3.48Å; F298-Y321 HydrophobicContact CD1-CD1 3.48Å; F298-Y321 VanDerWaalsContact CD1-CD1 3.48Å; F298-Y321 HydrophobicContact CD1-CE1 4.07Å; F298-Y321 AromaticContact CD1-CG 3.98Å; F298-Y321 HydrophobicContact CD1-CG 3.98Å; F298-Y321 AromaticContact CE1-CD1 3.97Å; F298-Y321 HydrophobicContact CE1-CD1 3.97Å; F298-Y321 HydrophobicContact CE1-CE1 4.44Å; F298-Y321 HydrophobicContact CG-CD1 4.12Å; F298-Y321 HydrophobicContact CG-CG 4.21Å; H319-Y321 WeakPolarHBondContact ND1-CB 3.24Å; H319-Y321 PolarHBondContact ND1-N 2.82Å; H319-Y321 VanDerWaalsContact ND1-N 3.17Å; H319-Y321 PolarHBondContact O-N 2.84Å
322F98.3Very high90.1Very high0 Ų060.7 Ų60.70%033%0.332CS..G310 helixtrans-101.27.6174.9-53.6-74.8000113.2R132 I135 Y136 L139 F298 A316 H319 A320 L325 R326R132-F322 HydrophobicContact CB-CD1 4.41Å; R132-F322 VanDerWaalsContact O-CE1 3.31Å; R132-F322 WeakPolarHBondContact O-CE1 3.39Å; I135-F322 HydrophobicContact CB-CE1 4.22Å; I135-F322 HydrophobicContact CB-CZ 4.38Å; I135-F322 HydrophobicContact CG2-CE1 3.99Å; I135-F322 HydrophobicContact CG2-CZ 3.65Å; Y136-F322 HydrophobicContact CD2-CB 3.83Å; Y136-F322 AromaticContact CD2-CD1 3.7Å; Y136-F322 HydrophobicContact CD2-CD1 3.7Å; Y136-F322 HydrophobicContact CD2-CD2 4.07Å; Y136-F322 HydrophobicContact CD2-CE1 4.28Å; Y136-F322 AromaticContact CD2-CG 3.59Å; Y136-F322 HydrophobicContact CD2-CG 3.59Å; Y136-F322 HydrophobicContact CE2-CB 4.14Å; Y136-F322 HydrophobicContact CE2-CG 4.28Å; Y136-F322 HydrophobicContact CG-CD1 4.17Å; Y136-F322 HydrophobicContact CG-CG 4.47Å; L139-F322 HydrophobicContact CD1-CE1 4.45Å; L139-F322 HydrophobicContact CD1-CE2 3.54Å; L139-F322 HydrophobicContact CD1-CZ 3.48Å; L139-F322 VanDerWaalsContact CD1-CZ 3.48Å; F298-F322 HydrophobicContact CD1-CE2 4.49Å; F298-F322 HydrophobicContact CD1-CZ 4.46Å; F298-F322 AromaticContact CE1-CE2 3.85Å; F298-F322 HydrophobicContact CE1-CE2 3.85Å; F298-F322 AromaticContact CE1-CZ 3.73Å; F298-F322 HydrophobicContact CE1-CZ 3.73Å; F298-F322 HydrophobicContact CE2-CE2 4.11Å; F298-F322 AromaticContact CZ-CE2 3.64Å; F298-F322 HydrophobicContact CZ-CE2 3.64Å; F298-F322 AromaticContact CZ-CZ 3.92Å; F298-F322 HydrophobicContact CZ-CZ 3.92Å; A316-F322 WeakPolarHBondContact O-CD2 3.27Å; A316-F322 WeakPolarHBondContact O-CE2 3.32Å; H319-F322 HydrophobicContact CB-CD2 4.38Å; H319-F322 PolarHBondContact O-N 2.9Å; H319-F322 VanDerWaalsContact O-N 3.12Å; A320-F322 PolarHBondContact O-N 3.07Å; A320-F322 VanDerWaalsContact O-N 3.11Å; F322-L325 PolarHBondContact O-N 3.24Å; F322-R326 WeakPolarHBondContact O-CG 3.27Å; F322-R326 PolarHBondContact O-N 3.44Å
323A96.9Very high87.7Confident29 Ų2966.4 Ų66.424%0.2435%0.354CS..Hα-helixtrans-58.2-47.2178.600000112.8A320 L325 R326 D327A320-A323 WeakPolarHBondContact O-CB 3.38Å; A320-A323 PolarHBondContact O-N 3.43Å; A323-L325 VanDerWaalsContact C-N 3.27Å; A323-L325 PolarHBondContact O-N 2.94Å; A323-R326 PolarHBondContact O-N 2.79Å; A323-R326 VanDerWaalsContact O-N 3.14Å; A323-D327 PolarHBondContact O-N 2.95Å
324P95.1Very high85.1Confident57 Ų5772.1 Ų72.137%0.3739%0.392SS..Hα-helixtrans-57.4-41177.6-24.935.2000112.8D327 E328P324-D327 PolarHBondContact O-N 2.8Å; P324-E328 PolarHBondContact O-N 3.5Å; P324-E328 VanDerWaalsContact O-N 3.14Å
325L94.7Very high82.1Confident1 Ų179.1 Ų79.11%0.00544%0.441CS..Hα-helixtrans-66.5-43.7178.1179.766.8000112F129 Y133 Y136 F322 A323 D327 E328 L329F129-L325 HydrophobicContact CE2-CD1 3.85Å; F129-L325 HydrophobicContact CZ-CD1 3.98Å; Y133-L325 HydrophobicContact CD2-CD1 3.89Å; Y133-L325 HydrophobicContact CD2-CD2 4.49Å; Y136-L325 HydrophobicContact CD1-CD2 3.72Å; Y136-L325 HydrophobicContact CD2-CD2 4.31Å; Y136-L325 HydrophobicContact CE1-CD2 4.48Å; Y136-L325 HydrophobicContact CG-CD2 3.61Å; F322-L325 PolarHBondContact O-N 3.24Å; A323-L325 VanDerWaalsContact C-N 3.27Å; A323-L325 PolarHBondContact O-N 2.94Å; L325-D327 VanDerWaalsContact C-N 3.27Å; L325-D327 PolarHBondContact O-N 3.01Å; L325-E328 PolarHBondContact O-N 3.39Å; L325-L329 HydrophobicContact CD1-CD1 3.9Å; L325-L329 HydrophobicContact CD1-CG 4.14Å; L325-L329 HydrophobicContact CD2-CD1 4.46Å; L325-L329 HydrophobicContact CG-CD1 3.87Å; L325-L329 HydrophobicContact CG-CG 4.41Å; L325-L329 WeakPolarHBondContact O-CB 3.46Å; L325-L329 VanDerWaalsContact O-CG 3.31Å; L325-L329 WeakPolarHBondContact O-CG 3.21Å; L325-L329 PolarHBondContact O-N 2.85Å
326R93Very high81.2Confident71 Ų7178.1 Ų78.127%0.26844%0.44SS..Hα-helixtrans-65.7-32.6178-70.3-172-56.4-95.9-4112M317 H319 F322 A323 K330M317-R326 PolarHBondContact O-NH1 2.84Å; H319-R326 PolarHBondContact O-NH1 3.41Å; H319-R326 PolarHBondContact O-NH2 3.28Å; H319-R326 VanDerWaalsContact O-NH2 3.08Å; F322-R326 WeakPolarHBondContact O-CG 3.27Å; F322-R326 PolarHBondContact O-N 3.44Å; A323-R326 PolarHBondContact O-N 2.79Å; A323-R326 VanDerWaalsContact O-N 3.14Å; R326-K330 WeakPolarHBondContact O-CG 3.45Å; R326-K330 PolarHBondContact O-N 3.26Å
327D89.4Confident80.3Confident96 Ų9682.2 Ų82.251%0.51346%0.463SS..Hα-helixtrans-71.8-35.5177.7-69.8-29.1000112.1A323 P324 L325 K330A323-D327 PolarHBondContact O-N 2.95Å; P324-D327 PolarHBondContact O-N 2.8Å; L325-D327 VanDerWaalsContact C-N 3.27Å; L325-D327 PolarHBondContact O-N 3.01Å; D327-K330 IonicContact OD1-NZ 2.74Å; D327-K330 PolarHBondContact OD1-NZ 3.02Å
328E84Confident79.3Confident132 Ų13285.6 Ų85.662%0.61748%0.483SS*.Hα-helixtrans-73.9-33173.5-72.5-172.7-161.700113.7F129 P324 L325F129-E328 WeakPolarHBondContact CE2-OE2 3.36Å; F129-E328 VanDerWaalsContact CZ-OE2 3.31Å; F129-E328 WeakPolarHBondContact CZ-OE2 3.29Å; P324-E328 PolarHBondContact O-N 3.5Å; P324-E328 VanDerWaalsContact O-N 3.14Å; L325-E328 PolarHBondContact O-N 3.39Å
329L77.4Confident78.2Confident98 Ų9882.2 Ų82.251%0.51348%0.475SS..SBendtrans-84.2-6.1-179.4-68.6178.2000114.3L325L325-L329 HydrophobicContact CD1-CD1 3.9Å; L325-L329 HydrophobicContact CD1-CG 4.14Å; L325-L329 HydrophobicContact CD2-CD1 4.46Å; L325-L329 HydrophobicContact CG-CD1 3.87Å; L325-L329 HydrophobicContact CG-CG 4.41Å; L325-L329 WeakPolarHBondContact O-CB 3.46Å; L325-L329 VanDerWaalsContact O-CG 3.31Å; L325-L329 WeakPolarHBondContact O-CG 3.21Å; L325-L329 PolarHBondContact O-N 2.85Å
330K71.6Confident77Confident130 Ų13086.3 Ų86.357%0.56550%0.5SS*.SBendtrans-60.9129.5170.7-82.7165.4-172.9163.80108R326 D327 S332R326-K330 WeakPolarHBondContact O-CG 3.45Å; R326-K330 PolarHBondContact O-N 3.26Å; D327-K330 IonicContact OD1-NZ 2.74Å; D327-K330 PolarHBondContact OD1-NZ 3.02Å; K330-S332 PolarHBondContact O-N 2.93Å; K330-S332 VanDerWaalsContact O-N 3.14Å
331P54.4Low75.5Confident113 Ų11388.4 Ų88.473%0.73450%0.503SS*.  trans-52.6127.7166.1-1828.9000107.1E333P331-E333 PolarHBondContact O-N 3.24Å
332S53.6Low73.9Confident101 Ų10194.6 Ų94.671%0.70654%0.539SS*.  trans-51.8109.9167.1530000106.4K330 C334K330-S332 PolarHBondContact O-N 2.93Å; K330-S332 VanDerWaalsContact O-N 3.14Å; S332-C334 VanDerWaalsContact C-N 3.28Å; S332-C334 PolarHBondContact O-N 3.2Å
333E47.6Very low72Confident189 Ų189101.9 Ų101.988%0.88358%0.58SS**  trans-58.1102.4170.3-71.6-175.1164.300105.4P331 S335P331-E333 PolarHBondContact O-N 3.24Å; E333-S335 VanDerWaalsContact C-N 3.35Å; E333-S335 PolarHBondContact O-N 3.48Å
334C43.7Very low70Confident120 Ų120108 Ų10881%0.81161%0.608SS**  trans-62.5103.9173.9-72.30000106.7S332S332-C334 VanDerWaalsContact C-N 3.28Å; S332-C334 PolarHBondContact O-N 3.2Å
335S35Very low67.7Low188 Ų188112.6 Ų112.6100%1.31563%0.63SS**  trans-550162.753.70000112.1E333E333-S335 VanDerWaalsContact C-N 3.35Å; E333-S335 PolarHBondContact O-N 3.48Å

Retrieved 335 of 335 residues in 365.9 ms (Link to these results)

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