A0A087Y6H6_POEFO Loading...

Protein phosphatase 2 regulatory subunit B''beta

The B regulatory subunit might modulate substrate selectivity and catalytic activity, and might also direct the localization of the catalytic enzyme to a particular subcellular compartment.

AlphaFold DB , UniProt , Accession A0A087Y6H6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 579 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
1M41.1Very low43.6Very low238 Ų238145.9 Ų145.9100%1.17282%0.816SS**  0128.30-70.9-164.8170.600107.4
2P36Very low45.2Very low131 Ų131147.2 Ų147.285%0.85181%0.806SS**PPolyproline II helixtrans-77.9146.1177.232.6-30.2000110.5
3S35.9Very low46.8Very low108 Ų108142.8 Ų142.876%0.75579%0.786SS**PPolyproline II helixtrans-65.8149.9179.6-27.90000112.1
4P38.8Very low48.2Very low124 Ų124139.9 Ų139.981%0.80576%0.762SS**PPolyproline II helixtrans-70.7130.7173.128.7-30.3000110.4V6P4-V6 PolarHBondContact O-N 3.13Å
5Q38Very low49.9Very low189 Ų189136.7 Ų136.788%0.88375%0.748SS**PPolyproline II helixtrans-70.1124.5173.1-77.3174-2600109.7L7Q5-L7 PolarHBondContact O-N 3.17Å
6V36.5Very low51.2Low138 Ų138133.4 Ų133.484%0.83673%0.729SS**PPolyproline II helixtrans-73.2117.6170.4178.10000108P4 Q8P4-V6 PolarHBondContact O-N 3.13Å; V6-Q8 PolarHBondContact O-N 3.24Å
7L45.9Very low53Low168 Ų168130.5 Ų130.588%0.8871%0.71SS**PPolyproline II helixtrans-72.2119.4170.4-76.4159000108.9Q5Q5-L7 PolarHBondContact O-N 3.17Å
8Q46.5Very low54.4Low171 Ų171128.9 Ų128.980%0.79970%0.7SS**PPolyproline II helixtrans-77.1140.7169-86.4-176-27.600110.5V6 V10V6-Q8 PolarHBondContact O-N 3.24Å; Q8-V10 PolarHBondContact O-N 3.43Å
9P50.2Low55.6Low108 Ų108128.4 Ų128.470%0.70169%0.69SS**PPolyproline II helixtrans-74.6125.2-179.728.4-32.6000112L11P9-L11 HydrophobicContact CB-CD1 4.25Å; P9-L11 PolarHBondContact O-N 3.46Å
10V57.3Low56.9Low102 Ų102127.1 Ų127.162%0.61868%0.683SS**  trans-87.133.7-175.3-1760000111.2Q8 K12 V13 K14Q8-V10 PolarHBondContact O-N 3.43Å; V10-K12 PolarHBondContact O-N 3.34Å; V10-V13 HydrophobicContact CG1-CB 3.6Å; V10-V13 HydrophobicContact CG1-CG1 4.17Å; V10-V13 HydrophobicContact CG1-CG2 3.88Å; V10-V13 PolarHBondContact O-N 3.15Å; V10-K14 PolarHBondContact O-N 2.99Å
11L53.9Low57.9Low128 Ų128125.7 Ų125.767%0.6768%0.675SS**Hα-helixtrans-65.5-42.9-172.4-82.3160.1000112.6P9 V13 K14 V15P9-L11 HydrophobicContact CB-CD1 4.25Å; P9-L11 PolarHBondContact O-N 3.46Å; L11-V13 VanDerWaalsContact C-N 3.31Å; L11-V13 PolarHBondContact O-N 2.85Å; L11-K14 PolarHBondContact O-N 2.82Å; L11-K14 VanDerWaalsContact O-N 3.14Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.41Å
12K62.2Low60.2Low161 Ų161120.7 Ų120.770%0.764%0.643SS**Hα-helixtrans-61.3-40.1179.9-172.7172.2-178.9174.60112.6V10 K14 V15 D16V10-K12 PolarHBondContact O-N 3.34Å; K12-K14 VanDerWaalsContact C-N 3.29Å; K12-K14 PolarHBondContact O-N 3.09Å; K12-V15 PolarHBondContact O-N 3.47Å; K12-D16 VanDerWaalsContact O-CG 3.28Å; K12-D16 PolarHBondContact O-N 3.27Å
13V65.9Low62.6Low90 Ų90117.4 Ų117.455%0.54562%0.618SS.*Hα-helixtrans-67-34.7178.9179.80000110.9V10 L11 E17V10-V13 HydrophobicContact CG1-CB 3.6Å; V10-V13 HydrophobicContact CG1-CG1 4.17Å; V10-V13 HydrophobicContact CG1-CG2 3.88Å; V10-V13 PolarHBondContact O-N 3.15Å; L11-V13 VanDerWaalsContact C-N 3.31Å; L11-V13 PolarHBondContact O-N 2.85Å; V13-E17 WeakPolarHBondContact O-CB 3.34Å; V13-E17 PolarHBondContact O-N 3.4Å
14K66.3Low64.9Low103 Ų103116.2 Ų116.245%0.44861%0.609SS.*Hα-helixtrans-71.9-38.3177.8-159.872.6-160.4162.20112.2V10 L11 K12 E17 L18V10-K14 PolarHBondContact O-N 2.99Å; L11-K14 PolarHBondContact O-N 2.82Å; L11-K14 VanDerWaalsContact O-N 3.14Å; K12-K14 VanDerWaalsContact C-N 3.29Å; K12-K14 PolarHBondContact O-N 3.09Å; K14-E17 IonicContact NZ-OE1 2.84Å; K14-E17 PolarHBondContact NZ-OE1 3Å; K14-E17 IonicContact NZ-OE2 2.81Å; K14-E17 PolarHBondContact NZ-OE2 3.08Å; K14-E17 PolarHBondContact O-N 3.09Å; K14-L18 VanDerWaalsContact O-CG 3.26Å; K14-L18 WeakPolarHBondContact O-CG 3.27Å; K14-L18 PolarHBondContact O-N 3.35Å
15V73.3Confident67.3Low91 Ų91113.6 Ų113.655%0.55259%0.589SS**Hα-helixtrans-63.9-45.1173.3174.30000110.9L11 K12 E17 L18 F19L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.41Å; K12-V15 PolarHBondContact O-N 3.47Å; V15-E17 VanDerWaalsContact C-N 3.32Å; V15-E17 PolarHBondContact O-N 3.46Å; V15-L18 PolarHBondContact O-N 3.27Å; V15-F19 WeakPolarHBondContact O-CB 3.34Å; V15-F19 PolarHBondContact O-N 3.39Å
16D71.6Confident69.4Low84 Ų84109.6 Ų109.645%0.44958%0.579SS.*Hα-helixtrans-62.5-39.8177.5-69.7-22.9000111.4K12 L20K12-D16 VanDerWaalsContact O-CG 3.28Å; K12-D16 PolarHBondContact O-N 3.27Å; D16-L20 WeakPolarHBondContact O-CB 3.3Å; D16-L20 WeakPolarHBondContact O-CD1 3.15Å; D16-L20 PolarHBondContact O-N 3.5Å
17E81.8Confident71.8Confident85 Ų85105 Ų10540%0.39756%0.559SS.*Hα-helixtrans-63.3-45.3175.1-171.6-166.1151.300112.1V13 K14 V15 L20 N21V13-E17 WeakPolarHBondContact O-CB 3.34Å; V13-E17 PolarHBondContact O-N 3.4Å; K14-E17 IonicContact NZ-OE1 2.84Å; K14-E17 PolarHBondContact NZ-OE1 3Å; K14-E17 IonicContact NZ-OE2 2.81Å; K14-E17 PolarHBondContact NZ-OE2 3.08Å; K14-E17 PolarHBondContact O-N 3.09Å; V15-E17 VanDerWaalsContact C-N 3.32Å; V15-E17 PolarHBondContact O-N 3.46Å; E17-L20 PolarHBondContact O-N 3.1Å; E17-N21 WeakPolarHBondContact O-CB 3.41Å; E17-N21 VanDerWaalsContact O-CG 3.29Å; E17-N21 PolarHBondContact O-N 3.14Å
18L77.8Confident73.7Confident102 Ų10298 Ų9853%0.53452%0.524SS..Hα-helixtrans-66.1-40.5178.7-71.1171.3000111.6K14 V15 N21 W22K14-L18 VanDerWaalsContact O-CG 3.26Å; K14-L18 WeakPolarHBondContact O-CG 3.27Å; K14-L18 PolarHBondContact O-N 3.35Å; V15-L18 PolarHBondContact O-N 3.27Å; L18-N21 PolarHBondContact O-N 3.33Å; L18-W22 WeakPolarHBondContact O-CB 3.42Å; L18-W22 PolarHBondContact O-N 2.95Å
19F78.3Confident75.6Confident118 Ų11893 Ų9352%0.51850%0.5SS..Hα-helixtrans-65.1-41.2175.3-175.5-101.3000111.9V15 N21 W22 L23V15-F19 WeakPolarHBondContact O-CB 3.34Å; V15-F19 PolarHBondContact O-N 3.39Å; F19-N21 VanDerWaalsContact C-N 3.35Å; F19-W22 HydrophobicContact CD2-CE3 4.4Å; F19-W22 HydrophobicContact CE2-CE3 4.18Å; F19-W22 HydrophobicContact CE2-CZ3 4.19Å; F19-W22 PolarHBondContact O-N 3.23Å; F19-L23 HydrophobicContact CE1-CD2 4.43Å; F19-L23 VanDerWaalsContact O-CB 3.31Å; F19-L23 WeakPolarHBondContact O-CB 3.44Å; F19-L23 PolarHBondContact O-N 3.44Å
20L80.4Confident77.1Confident103 Ų10390.7 Ų90.754%0.53949%0.487SS..Hα-helixtrans-62.9-40173.8-91.4152.9000112.1D16 E17 S24D16-L20 WeakPolarHBondContact O-CB 3.3Å; D16-L20 WeakPolarHBondContact O-CD1 3.15Å; D16-L20 PolarHBondContact O-N 3.5Å; E17-L20 PolarHBondContact O-N 3.1Å; L20-S24 WeakPolarHBondContact O-CB 3.05Å; L20-S24 PolarHBondContact O-N 3.13Å; L20-S24 PolarHBondContact O-OG 3.48Å
21N78.4Confident78.5Confident97 Ų9789.4 Ų89.452%0.51948%0.479SS..Hα-helixtrans-67-44.3176.9-75-15.3000111.8E17 L18 F19 S24 D25E17-N21 WeakPolarHBondContact O-CB 3.41Å; E17-N21 VanDerWaalsContact O-CG 3.29Å; E17-N21 PolarHBondContact O-N 3.14Å; L18-N21 PolarHBondContact O-N 3.33Å; F19-N21 VanDerWaalsContact C-N 3.35Å; N21-S24 PolarHBondContact O-N 3.18Å; N21-D25 PolarHBondContact O-N 2.75Å
22W90.1Very high79.9Confident134 Ų13486.7 Ų86.751%0.50847%0.465SS..Hα-helixtrans-61.5-46.4174.5176.880.6000111.6L18 F19 S24 D25 T28 L32L18-W22 WeakPolarHBondContact O-CB 3.42Å; L18-W22 PolarHBondContact O-N 2.95Å; F19-W22 HydrophobicContact CD2-CE3 4.4Å; F19-W22 HydrophobicContact CE2-CE3 4.18Å; F19-W22 HydrophobicContact CE2-CZ3 4.19Å; F19-W22 PolarHBondContact O-N 3.23Å; W22-S24 VanDerWaalsContact C-N 3.28Å; W22-S24 PolarHBondContact O-N 3.34Å; W22-D25 WeakPolarHBondContact O-CB 3.4Å; W22-D25 PolarHBondContact O-N 2.91Å; W22-T28 HydrophobicContact CD2-CG2 3.89Å; W22-T28 VanDerWaalsContact CE2-CG2 3.49Å; W22-T28 HydrophobicContact CE3-CG2 4.27Å; W22-T28 HydrophobicContact CG-CG2 4.48Å; W22-T28 HydrophobicContact CH2-CG2 3.97Å; W22-T28 HydrophobicContact CZ2-CG2 3.54Å; W22-T28 HydrophobicContact CZ3-CG2 4.3Å; W22-T28 WeakPolarHBondContact O-CB 3.43Å; W22-T28 WeakPolarHBondContact O-CG2 3.26Å; W22-T28 PolarHBondContact O-OG1 3.24Å; W22-L32 HydrophobicContact CH2-CD1 4.45Å
23L85.3Confident80.9Confident62 Ų6284.7 Ų84.733%0.32546%0.456SS..Hα-helixtrans-67.8-30.5179.1-166.569.9000112F19 D25 Q29 L32F19-L23 HydrophobicContact CE1-CD2 4.43Å; F19-L23 VanDerWaalsContact O-CB 3.31Å; F19-L23 WeakPolarHBondContact O-CB 3.44Å; F19-L23 PolarHBondContact O-N 3.44Å; L23-D25 VanDerWaalsContact C-N 3.33Å; L23-Q29 VanDerWaalsContact O-CG 3.25Å; L23-Q29 WeakPolarHBondContact O-CG 3.34Å; L23-Q29 PolarHBondContact O-NE2 3.09Å; L23-L32 HydrophobicContact CD1-CD1 4.02Å
24S83.6Confident81.6Confident82 Ų8285.1 Ų85.157%0.57346%0.455SS*.Hα-helixtrans-84.6-8.2179.4-55.90000113.3L20 N21 W22L20-S24 WeakPolarHBondContact O-CB 3.05Å; L20-S24 PolarHBondContact O-N 3.13Å; L20-S24 PolarHBondContact O-OG 3.48Å; N21-S24 PolarHBondContact O-N 3.18Å; W22-S24 VanDerWaalsContact C-N 3.28Å; W22-S24 PolarHBondContact O-N 3.34Å
25D90.3Very high82.2Confident70 Ų7085.1 Ų85.137%0.37446%0.456SS..  trans-63.5127.6178.217464.9000111N21 W22 L23 G27 T28 Q29N21-D25 PolarHBondContact O-N 2.75Å; W22-D25 WeakPolarHBondContact O-CB 3.4Å; W22-D25 PolarHBondContact O-N 2.91Å; L23-D25 VanDerWaalsContact C-N 3.33Å; D25-G27 VanDerWaalsContact C-N 3.28Å; D25-G27 PolarHBondContact O-N 2.96Å; D25-G27 WeakPolarHBondContact OD2-CA 3.49Å; D25-G27 PolarHBondContact OD2-N 2.61Å; D25-T28 PolarHBondContact O-N 3.32Å; D25-T28 PolarHBondContact OD2-N 2.95Å; D25-T28 PolarHBondContact OD2-OG1 2.72Å; D25-T28 VanDerWaalsContact OD2-OG1 3.09Å; D25-Q29 WeakPolarHBondContact O-CB 3.5Å; D25-Q29 WeakPolarHBondContact O-CG 3.31Å; D25-Q29 PolarHBondContact O-N 3.37Å
26P82.3Confident82.7Confident105 Ų10585 Ų8568%0.68245%0.452SS*.Hα-helixtrans-60.1-32.6-178.4-25.734.7000114.4S30P26-S30 PolarHBondContact O-N 3.47Å
27G86.6Confident83Confident40 Ų4085.1 Ų85.141%0.41245%0.452SS..Hα-helixtrans-69.4-47.3177.700000111.2D25 Q29 S30 V31D25-G27 VanDerWaalsContact C-N 3.28Å; D25-G27 PolarHBondContact O-N 2.96Å; D25-G27 WeakPolarHBondContact OD2-CA 3.49Å; D25-G27 PolarHBondContact OD2-N 2.61Å; G27-Q29 PolarHBondContact O-N 3.49Å; G27-S30 WeakPolarHBondContact O-CB 3.35Å; G27-S30 PolarHBondContact O-N 2.91Å; G27-S30 VanDerWaalsContact O-N 3.13Å; G27-V31 WeakPolarHBondContact O-CG2 3.4Å; G27-V31 PolarHBondContact O-N 3.36Å
28T84.9Confident82.8Confident23 Ų2384.4 Ų84.414%0.14145%0.45CS..Hα-helixtrans-60.2-44.2175.4-570000111.4W22 D25 S30 V31 L32W22-T28 HydrophobicContact CD2-CG2 3.89Å; W22-T28 VanDerWaalsContact CE2-CG2 3.49Å; W22-T28 HydrophobicContact CE3-CG2 4.27Å; W22-T28 HydrophobicContact CG-CG2 4.48Å; W22-T28 HydrophobicContact CH2-CG2 3.97Å; W22-T28 HydrophobicContact CZ2-CG2 3.54Å; W22-T28 HydrophobicContact CZ3-CG2 4.3Å; W22-T28 WeakPolarHBondContact O-CB 3.43Å; W22-T28 WeakPolarHBondContact O-CG2 3.26Å; W22-T28 PolarHBondContact O-OG1 3.24Å; D25-T28 PolarHBondContact O-N 3.32Å; D25-T28 PolarHBondContact OD2-N 2.95Å; D25-T28 PolarHBondContact OD2-OG1 2.72Å; D25-T28 VanDerWaalsContact OD2-OG1 3.09Å; T28-S30 VanDerWaalsContact C-N 3.3Å; T28-S30 PolarHBondContact O-N 2.89Å; T28-V31 PolarHBondContact O-N 2.88Å; T28-L32 HydrophobicContact CG2-CD1 3.96Å; T28-L32 HydrophobicContact CG2-CG 4.42Å; T28-L32 WeakPolarHBondContact O-CB 3.32Å; T28-L32 VanDerWaalsContact O-CG 3.3Å; T28-L32 WeakPolarHBondContact O-CG 3.47Å; T28-L32 PolarHBondContact O-N 3.46Å
29Q86.3Confident83Confident64 Ų6484.8 Ų84.830%0.29945%0.452SS..Hα-helixtrans-63.6-32.1175.2-77.5-70.6-39.400113.5L23 D25 G27 K33L23-Q29 VanDerWaalsContact O-CG 3.25Å; L23-Q29 WeakPolarHBondContact O-CG 3.34Å; L23-Q29 PolarHBondContact O-NE2 3.09Å; D25-Q29 WeakPolarHBondContact O-CB 3.5Å; D25-Q29 WeakPolarHBondContact O-CG 3.31Å; D25-Q29 PolarHBondContact O-N 3.37Å; G27-Q29 PolarHBondContact O-N 3.49Å; Q29-K33 WeakPolarHBondContact O-CB 3.23Å; Q29-K33 VanDerWaalsContact O-CG 3.25Å; Q29-K33 WeakPolarHBondContact O-CG 3.49Å; Q29-K33 PolarHBondContact O-N 3.16Å; Q29-K33 VanDerWaalsContact O-N 3.14Å
30S82.5Confident83Confident60 Ų6086 Ų8642%0.4246%0.457SS..Hα-helixtrans-68.2-50.6174.9-164.80000110.7P26 G27 T28 L32 K33 D34P26-S30 PolarHBondContact O-N 3.47Å; G27-S30 WeakPolarHBondContact O-CB 3.35Å; G27-S30 PolarHBondContact O-N 2.91Å; G27-S30 VanDerWaalsContact O-N 3.13Å; T28-S30 VanDerWaalsContact C-N 3.3Å; T28-S30 PolarHBondContact O-N 2.89Å; S30-L32 VanDerWaalsContact C-N 3.34Å; S30-L32 PolarHBondContact O-N 2.89Å; S30-K33 WeakPolarHBondContact O-CB 3.32Å; S30-K33 PolarHBondContact O-N 2.78Å; S30-K33 VanDerWaalsContact O-N 3.1Å; S30-D34 VanDerWaalsContact O-CG 3.24Å; S30-D34 PolarHBondContact O-N 3.22Å
31V86Confident82.8Confident76 Ų7684.5 Ų84.546%0.46146%0.455SS..Hα-helixtrans-61.5-42.9-179.7174.10000111.2G27 T28 K33 D34 F35G27-V31 WeakPolarHBondContact O-CG2 3.4Å; G27-V31 PolarHBondContact O-N 3.36Å; T28-V31 PolarHBondContact O-N 2.88Å; V31-K33 VanDerWaalsContact C-N 3.32Å; V31-K33 PolarHBondContact O-N 3.31Å; V31-D34 PolarHBondContact O-N 3.39Å; V31-F35 HydrophobicContact CG1-CD2 3.65Å; V31-F35 HydrophobicContact CG1-CE2 3.44Å; V31-F35 VanDerWaalsContact CG1-CE2 3.44Å; V31-F35 WeakPolarHBondContact O-CD2 3.32Å; V31-F35 PolarHBondContact O-N 3.29Å
32L83.5Confident82.2Confident70 Ų7082.9 Ų82.937%0.36646%0.461SS..Hα-helixtrans-64-35.6176.2-72.6173.6000112.4W22 L23 T28 S30 L36W22-L32 HydrophobicContact CH2-CD1 4.45Å; L23-L32 HydrophobicContact CD1-CD1 4.02Å; T28-L32 HydrophobicContact CG2-CD1 3.96Å; T28-L32 HydrophobicContact CG2-CG 4.42Å; T28-L32 WeakPolarHBondContact O-CB 3.32Å; T28-L32 VanDerWaalsContact O-CG 3.3Å; T28-L32 WeakPolarHBondContact O-CG 3.47Å; T28-L32 PolarHBondContact O-N 3.46Å; S30-L32 VanDerWaalsContact C-N 3.34Å; S30-L32 PolarHBondContact O-N 2.89Å; L32-L36 VanDerWaalsContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 PolarHBondContact O-N 3.39Å
33K84.2Confident80.7Confident120 Ų12083.5 Ų83.552%0.52247%0.47SS..Hα-helixtrans-69-41.3173.8-79.3172.5-174.5169.70111.9Q29 S30 V31 F35 L36 D37Q29-K33 WeakPolarHBondContact O-CB 3.23Å; Q29-K33 VanDerWaalsContact O-CG 3.25Å; Q29-K33 WeakPolarHBondContact O-CG 3.49Å; Q29-K33 PolarHBondContact O-N 3.16Å; Q29-K33 VanDerWaalsContact O-N 3.14Å; S30-K33 WeakPolarHBondContact O-CB 3.32Å; S30-K33 PolarHBondContact O-N 2.78Å; S30-K33 VanDerWaalsContact O-N 3.1Å; V31-K33 VanDerWaalsContact C-N 3.32Å; V31-K33 PolarHBondContact O-N 3.31Å; K33-F35 VanDerWaalsContact C-N 3.33Å; K33-F35 PolarHBondContact O-N 3Å; K33-L36 WeakPolarHBondContact O-CB 3.38Å; K33-L36 PolarHBondContact O-N 3.01Å; K33-D37 WeakPolarHBondContact O-CB 3.43Å; K33-D37 VanDerWaalsContact O-CG 3.3Å; K33-D37 PolarHBondContact O-N 2.91Å
34D81.3Confident79.2Confident98 Ų9887.7 Ų87.752%0.52448%0.482SS..Hα-helixtrans-62.3-43.1177.7-64.3-25.7000110.6S30 V31 D37 L38S30-D34 VanDerWaalsContact O-CG 3.24Å; S30-D34 PolarHBondContact O-N 3.22Å; V31-D34 PolarHBondContact O-N 3.39Å; D34-D37 PolarHBondContact O-N 3.05Å; D34-L38 WeakPolarHBondContact O-CB 3.41Å; D34-L38 PolarHBondContact O-N 3.25Å
35F77.8Confident77.5Confident103 Ų10390.8 Ų90.845%0.45249%0.493SS..Hα-helixtrans-65.1-41172.7-79.9-59.8000112.9V31 K33 D37 L38 I39V31-F35 HydrophobicContact CG1-CD2 3.65Å; V31-F35 HydrophobicContact CG1-CE2 3.44Å; V31-F35 VanDerWaalsContact CG1-CE2 3.44Å; V31-F35 WeakPolarHBondContact O-CD2 3.32Å; V31-F35 PolarHBondContact O-N 3.29Å; K33-F35 VanDerWaalsContact C-N 3.33Å; K33-F35 PolarHBondContact O-N 3Å; F35-D37 VanDerWaalsContact C-N 3.27Å; F35-D37 PolarHBondContact O-N 3.46Å; F35-L38 PolarHBondContact O-N 2.88Å; F35-I39 VanDerWaalsContact O-CG1 3.26Å; F35-I39 WeakPolarHBondContact O-CG1 3.35Å; F35-I39 PolarHBondContact O-N 3.43Å
36L83.3Confident75.5Confident90 Ų9090.5 Ų90.547%0.47151%0.506SS..Hα-helixtrans-62.7-38.2177-163.391.4000111.3L32 K33 K40L32-L36 VanDerWaalsContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 PolarHBondContact O-N 3.39Å; K33-L36 WeakPolarHBondContact O-CB 3.38Å; K33-L36 PolarHBondContact O-N 3.01Å; L36-K40 WeakPolarHBondContact O-CB 3.46Å; L36-K40 WeakPolarHBondContact O-CG 3.26Å; L36-K40 PolarHBondContact O-N 2.99Å
37D78.8Confident73.5Confident86 Ų8694.5 Ų94.546%0.4652%0.521SS..Hα-helixtrans-74-34.2178.4-71.6-17.5000111.4K33 D34 F35 K40 S41K33-D37 WeakPolarHBondContact O-CB 3.43Å; K33-D37 VanDerWaalsContact O-CG 3.3Å; K33-D37 PolarHBondContact O-N 2.91Å; D34-D37 PolarHBondContact O-N 3.05Å; F35-D37 VanDerWaalsContact C-N 3.27Å; F35-D37 PolarHBondContact O-N 3.46Å; D37-K40 PolarHBondContact O-N 3.47Å; D37-K40 IonicContact OD1-NZ 3.24Å; D37-S41 WeakPolarHBondContact O-CB 3.45Å; D37-S41 PolarHBondContact O-N 3.1Å; D37-S41 PolarHBondContact O-OG 2.98Å
38L77.8Confident70.8Confident69 Ų6997.7 Ų97.736%0.36154%0.537SS..Hα-helixtrans-66.3-35.5172.2-151.774.3000112.7D34 F35 S41 G42 E43 Y44D34-L38 WeakPolarHBondContact O-CB 3.41Å; D34-L38 PolarHBondContact O-N 3.25Å; F35-L38 PolarHBondContact O-N 2.88Å; L38-S41 WeakPolarHBondContact CA-OG 3.28Å; L38-S41 PolarHBondContact O-OG 2.95Å; L38-G42 PolarHBondContact O-N 3Å; L38-E43 PolarHBondContact O-N 3.02Å; L38-Y44 HydrophobicContact CD2-CD2 4.11Å
39I81.5Confident68.2Low110 Ų110102.2 Ų102.256%0.56457%0.569SS**Hα-helixtrans-72.3-39.5174.2-68.8166.1000110.3F35 G42F35-I39 VanDerWaalsContact O-CG1 3.26Å; F35-I39 WeakPolarHBondContact O-CG1 3.35Å; F35-I39 PolarHBondContact O-N 3.43Å; I39-G42 PolarHBondContact O-N 3.2Å
40K78.3Confident65.5Low145 Ų145102.5 Ų102.563%0.6359%0.589SS**Hα-helixtrans-70.8-30.8177.4-75.5170.1-176.9171.40113.4L36 D37 G42L36-K40 WeakPolarHBondContact O-CB 3.46Å; L36-K40 WeakPolarHBondContact O-CG 3.26Å; L36-K40 PolarHBondContact O-N 2.99Å; D37-K40 PolarHBondContact O-N 3.47Å; D37-K40 IonicContact OD1-NZ 3.24Å; K40-G42 PolarHBondContact O-N 2.82Å
41S76.1Confident62.8Low70 Ų70107.6 Ų107.649%0.4961%0.612SS.*THydrogen-bonded Turntrans-76.1-11.8176.3660000112.9D37 L38 E43D37-S41 WeakPolarHBondContact O-CB 3.45Å; D37-S41 PolarHBondContact O-N 3.1Å; D37-S41 PolarHBondContact O-OG 2.98Å; L38-S41 WeakPolarHBondContact CA-OG 3.28Å; L38-S41 PolarHBondContact O-OG 2.95Å; S41-E43 VanDerWaalsContact C-N 3.31Å
42G65.3Low60.1Low63 Ų63108.1 Ų108.165%0.64962%0.624SS**THydrogen-bonded Turntrans75.915.5178.900000114.2L38 I39 K40L38-G42 PolarHBondContact O-N 3Å; I39-G42 PolarHBondContact O-N 3.2Å; K40-G42 PolarHBondContact O-N 2.82Å
43E58.4Low57.5Low148 Ų148113.4 Ų113.469%0.69265%0.647SS**  trans-96.39.2-177-66.3-164.8156.300114.1L38 S41 N45L38-E43 PolarHBondContact O-N 3.02Å; S41-E43 VanDerWaalsContact C-N 3.31Å; E43-N45 PolarHBondContact O-N 3.25Å
44Y55.1Low54.8Low149 Ų149115 Ų11558%0.58466%0.661SS**  trans-80.285.3176.4-159.9-93.3000111.7L38L38-Y44 HydrophobicContact CD2-CD2 4.11Å
45N48.2Very low52.2Low148 Ų148119.5 Ų119.579%0.79168%0.676SS**  trans-90.8115.7167-83.2-19.1000109.9E43E43-N45 PolarHBondContact O-N 3.25Å
46G48.5Very low49.8Very low64 Ų64124.6 Ų124.666%0.6670%0.698SS**  trans-57.9138.1175.900000112.4S48G46-S48 PolarHBondContact O-N 3.07Å
47L38.9Very low47Very low188 Ų188125.3 Ų125.398%0.98471%0.711SS**  trans-79.5111.8-179.8-92.8114.5000111.5
48S30Very low44.4Very low108 Ų108129.3 Ų129.376%0.75573%0.731SS**  trans-111.4131.9156.6178.70000109G46G46-S48 PolarHBondContact O-N 3.07Å
49S30.4Very low41.7Very low117 Ų117130.8 Ų130.882%0.81875%0.747SS**  trans35.2114.3147.2-1680000121.3
50G29.3Very low39Very low70 Ų70136 Ų13672%0.72277%0.766SS**  93.8127.2117.400000121.4
51N27.1Very low36.4Very low168 Ų168136 Ų13690%0.89877%0.773SS**  trans88.8109.5150.8-83.6-4.9000122.9
52A28.2Very low34Very low86 Ų86140.2 Ų140.271%0.71179%0.785SS**  94.3127.3114.700000121.7
53Q28.5Very low32.1Very low182 Ų182143.6 Ų143.685%0.8579%0.788SS**  trans71.9117.6154.2-64.7-174-7.200118.8
54D27.7Very low30.6Very low154 Ų154144.7 Ų144.782%0.82480%0.799SS**  -168.9154.198.7-117.4-30.5000115.6
55K28Very low29.2Very low191 Ų191145 Ų14583%0.8381%0.81SS**  trans-73146.8-176.1-65.4163.1173.8169.10113.4
56K26.3Very low28.2Very low210 Ų210144.6 Ų144.691%0.91381%0.813SS**  -170.8132.6125.8-107.1168.5-174.6175.20112.8
57S24.1Very low27.1Very low105 Ų105145.4 Ų145.473%0.73481%0.814SS**  trans-58.9154.7179.159.50000115.1
58L24.2Very low26.4Very low171 Ų171142.8 Ų142.890%0.89581%0.811SS**  -155.5128.4124.6-90.9176.8000109.9
59S22.4Very low26.2Very low99 Ų99145.9 Ų145.969%0.69281%0.813SS**  trans-82149177.155.20000112.6
60F23.3Very low25.9Very low220 Ų220150.7 Ų150.797%0.96582%0.82SS**  trans-145.1140.6142.4-97.4-79.2000110.9
61N24.5Very low25.6Very low146 Ų146153.6 Ų153.678%0.78182%0.819SS**  trans-99.4166.4-169-120.77.3000111.7
62E25.6Very low25.4Very low157 Ų157152.3 Ų152.373%0.73481%0.811SS**  trans94.2101.8146.3-80.8173.8-17700121.1
63N26.1Very low25.2Very low135 Ų135153.9 Ų153.972%0.72282%0.817SS**  61.8122.6114.6-69.6-11.6000120.4
64N26.5Very low24.9Very low170 Ų170153.9 Ų153.991%0.90982%0.817SS**  -158.3123.7117.1-96-28.5000112.6
65N25.6Very low24.8Very low155 Ų155156.7 Ų156.783%0.82982%0.822SS**  trans-98.6140.4167.2-99.7-30000109.3
66V26.7Very low24.6Very low141 Ų141157.3 Ų157.386%0.85583%0.825SS**  trans-157.298.5144.5-177.60000106.7
67A24.6Very low24.9Very low81 Ų81152.5 Ų152.567%0.66981%0.814SS**  63.7119.685.600000116.4
68S25.9Very low24.9Very low132 Ų132155.4 Ų155.492%0.92382%0.821SS**  trans-152.9102.2145.6-80.40000110.4
69Q24.5Very low24.7Very low173 Ų173150.3 Ų150.381%0.80881%0.81SS**  trans-82.5147.7167.3-69.6178-26.300110.4
70K24.8Very low24.8Very low218 Ų218152.5 Ų152.595%0.94882%0.819SS**  trans-145.8134.7144.5-103.8-178.9-175.6176.50110.2
71N23.1Very low24.8Very low132 Ų132149.1 Ų149.171%0.70681%0.811SS**  trans-107.5152.6-169.5-102.7-38.2000112.6
72L23.7Very low24.8Very low141 Ų141147.9 Ų147.974%0.73881%0.814SS**  trans59.9130.2148.5-8888.6000121.2
73S23.6Very low24.8Very low118 Ų118145.7 Ų145.783%0.82582%0.816SS**  -174.7138.490.825.90000114.3
74E22.5Very low24.9Very low183 Ų183145.3 Ų145.386%0.85582%0.821SS**  trans-67.1150.5172.5-63.3168.9126.400113.2
75K24.5Very low24.9Very low213 Ų213141.4 Ų141.493%0.92681%0.812SS**  trans-168.9117.9144.7-108.9169.1-174.9178.30112.7
76K23.3Very low25.1Very low204 Ų204139.6 Ų139.689%0.88781%0.809SS**  trans-120170.5148.3-107.1-178.5-178.7174.90105.8
77P33.4Very low25Very low108 Ų108140.2 Ų140.270%0.70181%0.808SS**  cis-148.8-158.928.736-10.1000115.7
78L23.3Very low25.1Very low167 Ų167141.6 Ų141.687%0.87481%0.812SS**  trans92.5122.1177-71.599.2000114.1
79G21.7Very low25.2Very low64 Ų64141.8 Ų141.866%0.6681%0.808SS**  cis118.6112.314.300000109.3
80T24Very low25.3Very low144 Ų144141.3 Ų141.388%0.88381%0.81SS**  trans176.2130.3143.623.70000114
81N22.6Very low25.6Very low149 Ų149136.8 Ų136.880%0.79780%0.803SS**  trans-11.8155.3157-63.5-15.7000122.4
82S25.3Very low25.6Very low120 Ų120135.5 Ų135.584%0.83980%0.804SS**  115.1117.7128.963.70000118.9
83S24.7Very low25.7Very low112 Ų112139.7 Ų139.778%0.78381%0.81SS**  trans-64164.8155.3-34.40000110.6
84P29.4Very low25.9Very low126 Ų126138.1 Ų138.182%0.81880%0.799SS**  -148.5170.769.934.2-12.1000116.7
85A24.8Very low26.2Very low88 Ų88134.6 Ų134.673%0.72780%0.795SS**  trans-64.2172.5170.100000113.8
86P30.4Very low26.4Very low118 Ų118129.1 Ų129.177%0.76678%0.783SS**  -146.214210634.5-17.2000117.2
87N24.4Very low26.7Very low154 Ų154127.3 Ų127.382%0.82478%0.783SS**  trans24.1123.6136.8-61.1-16.5000121.8
88S27.4Very low26.5Very low109 Ų109126.9 Ų126.976%0.76279%0.789SS**  -16097120.373.10000114.9
89T27.1Very low26.7Very low137 Ų137130.5 Ų130.584%0.8479%0.791SS**  27.1111.3127.839.60000121.1
90L28.4Very low27.1Very low163 Ų163133.8 Ų133.885%0.85380%0.798SS**  trans-66.3169.2147.1-87.6135.4000112.7
91P29.4Very low27.5Very low123 Ų123133.2 Ų133.280%0.79980%0.795SS**  trans-121.2142.8133.134.1-24.4000113.6
92S24.3Very low27.7Very low105 Ų105129.4 Ų129.473%0.73479%0.791SS**  trans-73.4161.7-177.562.60000116.2
93R24.7Very low28.5Very low229 Ų229129.6 Ų129.686%0.86479%0.789SS**  -172.4109.3121.5-106.1174101.3172.36110.1
94S28.8Very low28.7Very low84 Ų84132.3 Ų132.359%0.58780%0.795SS**  88.1101.990.468.90000113.2
95S28.3Very low28.6Very low109 Ų109130.1 Ų130.176%0.76280%0.795SS**  8510898.8-58.60000111.5
96S29.1Very low29Very low98 Ų98137.7 Ų137.769%0.68581%0.805SS**  112.9131.262.857.30000109.1
97N30Very low28.9Very low166 Ų166138.6 Ų138.689%0.88881%0.808SS**  trans-176.8108.6134.6-90.5-20.5000111.4
98A27.7Very low29.4Very low100 Ų100139.1 Ų139.183%0.82681%0.81SS**  trans-91.9150.7157.900000109.2
99R29Very low29.4Very low242 Ų242145.5 Ų145.591%0.91382%0.817SS**  trans-138.4117.3168.5-156.8-178.6-85.4-166.4-3.2109.5
100V30.1Very low29.6Very low133 Ų133150.3 Ų150.381%0.80682%0.82SS**  trans-110.2134.7171.2170.70000107.8
101T31Very low29.7Very low133 Ų133148 Ų14882%0.81682%0.817SS**  trans-152.2124.6158.645.50000109.7
102G27.1Very low29.8Very low69 Ų69148.7 Ų148.771%0.71182%0.819SS**  trans-91.2-150.116900000113.2
103P41.5Very low30.1Very low123 Ų123148.8 Ų148.880%0.79982%0.82SS**  -126179.5-8437.9-26.4000115.1
104N29.4Very low30.6Very low170 Ų170144 Ų14491%0.90982%0.816SS**  trans93.8125.9165.3-69.1-22.4000121.1
105G28.2Very low30.8Very low80 Ų80149.6 Ų149.683%0.82583%0.83SS**  trans152.593.5157.100000115.8
106R32.1Very low31Very low246 Ų246154.5 Ų154.593%0.92884%0.838SS**  trans-68.2144.7168.8-68174.6174.7172.7-2.3111.1
107V29.5Very low31Very low138 Ų138154.4 Ų154.484%0.83684%0.843SS**  trans-172133.6131.2164.90000110.4
108L33.8Very low31.2Very low164 Ų164155.3 Ų155.386%0.85984%0.842SS**  trans-79.5134.3171.3-164.191.3000110.7
109R28.4Very low31.5Very low243 Ų243156.9 Ų156.992%0.91784%0.841SS**  trans-161.7123.4149.5-113.4171.5-169-174.43.4113.6
110R31.3Very low31.7Very low238 Ų238156.3 Ų156.390%0.89884%0.839SS**  trans-79.6129.3172-163.8-179.5-166.3-179.94108.6
111S29.2Very low31.9Very low114 Ų114155.9 Ų155.980%0.79784%0.836SS**  trans-155.1114.7158.755.60000111.1
112V33.3Very low32.3Very low138 Ų138158.2 Ų158.284%0.83684%0.838SS**  trans-67128.2167.5173.90000108.4
113S28.8Very low32.8Very low107 Ų107163.3 Ų163.375%0.74884%0.843SS**  trans-151.5124.6155.2-161.20000110.8
114T37.2Very low32.9Very low130 Ų130163.2 Ų163.280%0.79884%0.843SS**  trans-59.4121.6179.633.20000112
115K32.6Very low33.6Very low200 Ų200161.7 Ų161.787%0.8784%0.839SS**  trans-130.4118.3160.5-73.3-171.6177.8179.60109.6A117K115-A117 PolarHBondContact O-N 2.74Å
116K32.3Very low34.2Very low213 Ų213163.6 Ų163.693%0.92684%0.835SS**  trans-53.8115.2168-70.4179.6172.4-179.90108.4Q118K116-Q118 PolarHBondContact O-N 2.83Å
117A29Very low35.1Very low96 Ų96157.7 Ų157.779%0.79383%0.827SS**  trans-78.9115168.800000108.4K115 V119K115-A117 PolarHBondContact O-N 2.74Å; A117-V119 PolarHBondContact O-N 2.76Å
118Q34Very low36.2Very low184 Ų184154.8 Ų154.886%0.8682%0.817SS**  trans-58.8127.2161.1-85.7171.4-50.700108.3K116 R120K116-Q118 PolarHBondContact O-N 2.83Å; Q118-R120 PolarHBondContact O-N 2.89Å
119V34.5Very low37Very low133 Ų133154.4 Ų154.481%0.80682%0.815SS**  trans-59.6103164.1176.10000107.1A117 T121A117-V119 PolarHBondContact O-N 2.76Å; V119-T121 PolarHBondContact O-N 3.46Å
120R31.9Very low38.3Very low231 Ų231147 Ų14787%0.87280%0.8SS**  trans-79.8107.3158.8-88.3-176.6169.4-179.6-4.1106Q118 E122Q118-R120 PolarHBondContact O-N 2.89Å; R120-E122 PolarHBondContact O-N 3.06Å; R120-E122 VanDerWaalsContact O-N 3.1Å
121T35.6Very low39.8Very low124 Ų124143.9 Ų143.976%0.76180%0.796SS**  trans-57.1108.9162-43.30000106.9V119 E123V119-T121 PolarHBondContact O-N 3.46Å; T121-E123 PolarHBondContact O-N 3.14Å
122E39.3Very low42.3Very low181 Ų181145.2 Ų145.285%0.84679%0.794SS**PPolyproline II helixtrans-67.1116.1167.5-71.6-172.4163.200107.4R120R120-E122 PolarHBondContact O-N 3.06Å; R120-E122 VanDerWaalsContact O-N 3.1Å
123E37.2Very low44.8Very low176 Ų176144.4 Ų144.482%0.82278%0.784SS**PPolyproline II helixtrans-63.6134.6168-70.4-176.915900108.6T121 V125T121-E123 PolarHBondContact O-N 3.14Å; E123-V125 PolarHBondContact O-N 3.45Å
124P42.7Very low47.7Very low121 Ų121144.2 Ų144.279%0.78678%0.78SS**PPolyproline II helixtrans-64.8126.6-177.226.2-32000109.6T126P124-T126 PolarHBondContact O-N 3.21Å; P124-T126 VanDerWaalsContact O-N 3.14Å
125V44.3Very low50.2Low138 Ų138145.4 Ų145.484%0.83677%0.774SS**PPolyproline II helixtrans-53.1119.3171.9178.20000108.6E123 T127E123-V125 PolarHBondContact O-N 3.45Å; V125-T127 PolarHBondContact O-N 3.31Å
126T41.7Very low53Low121 Ų121143.2 Ų143.274%0.74277%0.765SS**PPolyproline II helixtrans-53125.3178.238.90000111.8P124 A128P124-T126 PolarHBondContact O-N 3.21Å; P124-T126 VanDerWaalsContact O-N 3.14Å; T126-A128 PolarHBondContact O-N 3.47Å
127T50Low55.8Low122 Ų122140.8 Ų140.875%0.74875%0.751SS**SBendtrans-67.320.8-17733.90000116V125 L129 S130V125-T127 PolarHBondContact O-N 3.31Å; T127-L129 PolarHBondContact O-N 3.38Å; T127-S130 PolarHBondContact O-OG 3.29Å
128A53Low58.8Low77 Ų77138.7 Ų138.764%0.63672%0.724SS**THydrogen-bonded Turntrans-79.6-10.8-171.300000115.1T126T126-A128 PolarHBondContact O-N 3.47Å
129L50.7Low61.2Low156 Ų156132.1 Ų132.182%0.81770%0.698SS**THydrogen-bonded Turntrans-90.3-10.3179.8-71.2169.9000113.9T127 E131T127-L129 PolarHBondContact O-N 3.38Å; L129-E131 PolarHBondContact O-N 2.91Å
130S56.8Low63.8Low86 Ų86130.2 Ų130.260%0.60168%0.68SS**THydrogen-bonded Turntrans-82.4-7-175.865.30000114.9T127T127-S130 PolarHBondContact O-OG 3.29Å
131E62.7Low66.6Low173 Ų173119.6 Ų119.681%0.80864%0.642SS**THydrogen-bonded Turntrans-78.1-23.4-178.6-67.9-171.7166.600113.4L129L129-E131 PolarHBondContact O-N 2.91Å
132N79.9Confident69.2Low143 Ų143122.2 Ų122.277%0.76564%0.638SS**SBendtrans-92.9-19-173.8-72-39.7000115
133I86.8Confident71.6Confident120 Ų120117 Ų11762%0.61562%0.62SS**SBendtrans-119.8101.5179.1-56.2177000107.9F136I133-F136 HydrophobicContact CG2-CD1 3.98Å; I133-F136 HydrophobicContact CG2-CE1 4.18Å
134P89.2Confident73.7Confident103 Ų103114.9 Ų114.967%0.66961%0.61SS**  trans-56.2153.9173.7-23.933.6000111.3F136P134-F136 PolarHBondContact O-N 2.94Å; P134-F136 VanDerWaalsContact O-N 3.07Å
135K89.5Confident75Confident156 Ų156113.6 Ų113.668%0.67861%0.61SS**  trans-53.6120.6170.9-175176.7179.8179.70108.9Y137 F138K135-Y137 VanDerWaalsContact CE-O 3.26Å; K135-Y137 WeakPolarHBondContact CE-O 3.37Å; K135-F138 HydrophobicContact CB-CE1 4.46Å; K135-F138 HydrophobicContact CB-CZ 4.03Å; K135-F138 HydrophobicContact CD-CD1 4.35Å; K135-F138 HydrophobicContact CD-CE1 3.79Å; K135-F138 HydrophobicContact CD-CZ 4.2Å; K135-F138 HydrophobicContact CG-CE1 3.96Å; K135-F138 HydrophobicContact CG-CE2 4.4Å; K135-F138 HydrophobicContact CG-CZ 3.86Å; K135-F138 WeakPolarHBondContact O-CE2 3.48Å; K135-F138 WeakPolarHBondContact O-CZ 3.15Å
136F91.3Very high76.5Confident154 Ų154114.3 Ų114.368%0.67561%0.609SS**  trans-114.2-18.8-178.262.1-91.7000113I133 P134 F138I133-F136 HydrophobicContact CG2-CD1 3.98Å; I133-F136 HydrophobicContact CG2-CE1 4.18Å; P134-F136 PolarHBondContact O-N 2.94Å; P134-F136 VanDerWaalsContact O-N 3.07Å; F136-F138 WeakPolarHBondContact O-CD2 3.24Å
137Y92Very high78.3Confident161 Ų161111.9 Ų111.963%0.63159%0.591SS**  trans-96.1118.3178.5-176-117.7000111.3K135 P139K135-Y137 VanDerWaalsContact CE-O 3.26Å; K135-Y137 WeakPolarHBondContact CE-O 3.37Å; Y137-P139 HydrophobicContact CD1-CG 4.05Å; Y137-P139 HydrophobicContact CE1-CG 3.44Å; Y137-P139 VanDerWaalsContact CE1-CG 3.44Å; Y137-P139 HydrophobicContact CE2-CG 4.46Å
138F92.3Very high80.1Confident52 Ų52111.1 Ų111.123%0.22858%0.583CS.*  trans-135.688.6-177.8-59.5-89.4000110.1K135 F136 Q140 G141 R142K135-F138 HydrophobicContact CB-CE1 4.46Å; K135-F138 HydrophobicContact CB-CZ 4.03Å; K135-F138 HydrophobicContact CD-CD1 4.35Å; K135-F138 HydrophobicContact CD-CE1 3.79Å; K135-F138 HydrophobicContact CD-CZ 4.2Å; K135-F138 HydrophobicContact CG-CE1 3.96Å; K135-F138 HydrophobicContact CG-CE2 4.4Å; K135-F138 HydrophobicContact CG-CZ 3.86Å; K135-F138 WeakPolarHBondContact O-CE2 3.48Å; K135-F138 WeakPolarHBondContact O-CZ 3.15Å; F136-F138 WeakPolarHBondContact O-CD2 3.24Å; F138-Q140 VanDerWaalsContact C-N 3.3Å; F138-Q140 PolarHBondContact O-N 3.32Å; F138-G141 WeakPolarHBondContact CB-O 3.33Å; F138-G141 PolarHBondContact O-N 3.48Å; F138-R142 HydrophobicContact CB-CG 4.19Å; F138-R142 HydrophobicContact CD2-CG 3.62Å; F138-R142 HydrophobicContact CE2-CG 4.05Å; F138-R142 HydrophobicContact CG-CG 3.9Å
139P84.4Confident81.8Confident47 Ų47109.4 Ų109.431%0.30556%0.562SS.*THydrogen-bonded Turntrans-56-43.7-176.6-2531.8000113.4Y137 G141 F291 R295Y137-P139 HydrophobicContact CD1-CG 4.05Å; Y137-P139 HydrophobicContact CE1-CG 3.44Å; Y137-P139 VanDerWaalsContact CE1-CG 3.44Å; Y137-P139 HydrophobicContact CE2-CG 4.46Å; P139-G141 VanDerWaalsContact C-N 3.29Å; P139-G141 PolarHBondContact O-N 3.49Å; P139-F291 HydrophobicContact CB-CZ 4.05Å; P139-F291 WeakPolarHBondContact O-CD2 3.4Å; P139-F291 WeakPolarHBondContact O-CE2 3.47Å; P139-R295 PolarHBondContact O-NH1 3.42Å; P139-R295 PolarHBondContact O-NH2 3.16Å
140Q89Confident83.8Confident92 Ų92107.1 Ų107.143%0.4355%0.551SS.*THydrogen-bonded Turntrans-93.320.9-175.3-65.3169.9-36.900113.2F138 T217 H219 S223F138-Q140 VanDerWaalsContact C-N 3.3Å; F138-Q140 PolarHBondContact O-N 3.32Å; Q140-T217 WeakPolarHBondContact CB-O 3.45Å; Q140-T217 WeakPolarHBondContact CG-O 3.5Å; Q140-T217 PolarHBondContact OE1-O 3.19Å; Q140-H219 WeakPolarHBondContact O-CB 3.13Å; Q140-H219 PolarHBondContact O-N 3.05Å; Q140-S223 PolarHBondContact O-OG 3.38Å
141G90.6Very high85.5Confident8 Ų8104.5 Ų104.58%0.08254%0.537CS..  trans89.4162.8-176.200000112.5F138 P139 P143 H219 D220F138-G141 WeakPolarHBondContact CB-O 3.33Å; F138-G141 PolarHBondContact O-N 3.48Å; P139-G141 VanDerWaalsContact C-N 3.29Å; P139-G141 PolarHBondContact O-N 3.49Å; G141-P143 WeakPolarHBondContact O-CD 3.47Å; G141-H219 PolarHBondContact O-CD2 3.49Å; G141-H219 VanDerWaalsContact O-CD2 3.26Å; G141-D220 VanDerWaalsContact CA-OD2 3.24Å; G141-D220 WeakPolarHBondContact CA-OD2 3.41Å
142R90.3Very high87Confident180 Ų18097.3 Ų97.368%0.67950%0.504SS*.PPolyproline II helixtrans-78.3123.7179.9-71.8-177.3179-179.60.9109.5F138 Q144 H219F138-R142 HydrophobicContact CB-CG 4.19Å; F138-R142 HydrophobicContact CD2-CG 3.62Å; F138-R142 HydrophobicContact CE2-CG 4.05Å; F138-R142 HydrophobicContact CG-CG 3.9Å; R142-Q144 PolarHBondContact O-N 3.42Å; R142-H219 WeakPolarHBondContact O-CB 3.31Å
143P88.3Confident87.7Confident72 Ų7290.7 Ų90.747%0.46847%0.469SS..PPolyproline II helixtrans-56.7132176.8-22.631.3000111.2G141G141-P143 WeakPolarHBondContact O-CD 3.47Å
144Q81.8Confident88.2Confident130 Ų13088.2 Ų88.261%0.60746%0.462SS*.PPolyproline II helixtrans-78.8131.2173-64.2-168.72.400109.6R142 N146 L147R142-Q144 PolarHBondContact O-N 3.42Å; Q144-N146 VanDerWaalsContact C-N 3.25Å; Q144-N146 PolarHBondContact O-N 3.48Å; Q144-L147 HydrophobicContact CB-CB 4.49Å; Q144-L147 HydrophobicContact CB-CD1 4.06Å; Q144-L147 HydrophobicContact CG-CD1 4.29Å; Q144-L147 VanDerWaalsContact OE1-CD1 3.3Å
145A70.7Confident88.5Confident95 Ų9587.7 Ų87.779%0.78545%0.449SS*.THydrogen-bonded Turntrans-65.3-22.8-17100000114.6
146N74.6Confident88.9Confident152 Ų15280.2 Ų80.281%0.81342%0.417SS*.THydrogen-bonded Turntrans-138.536.2-170.4-64.3-42.4000113.7Q144 N148Q144-N146 VanDerWaalsContact C-N 3.25Å; Q144-N146 PolarHBondContact O-N 3.48Å; N146-N148 PolarHBondContact O-N 3.26Å
147L80.4Confident89.2Confident70 Ų7077.1 Ų77.137%0.36641%0.405SS..  trans-68.9115.4178.8-148.3125.6000109.9Q144 I149 L152 L215Q144-L147 HydrophobicContact CB-CB 4.49Å; Q144-L147 HydrophobicContact CB-CD1 4.06Å; Q144-L147 HydrophobicContact CG-CD1 4.29Å; Q144-L147 VanDerWaalsContact OE1-CD1 3.3Å; L147-I149 VanDerWaalsContact C-N 3.25Å; L147-I149 HydrophobicContact CD2-CG1 3.84Å; L147-I149 PolarHBondContact O-N 3.23Å; L147-L152 HydrophobicContact CD2-CD1 3.89Å; L147-L215 HydrophobicContact CD2-CD2 4.27Å
148N88Confident89.4Confident107 Ų10776.4 Ų76.457%0.57241%0.405SS*.  trans-78.475.4179.5-174.47.8000110.7N146 D150 G151 L152N146-N148 PolarHBondContact O-N 3.26Å; N148-D150 VanDerWaalsContact C-N 3.31Å; N148-D150 PolarHBondContact O-N 3.21Å; N148-G151 PolarHBondContact O-N 2.93Å; N148-G151 PolarHBondContact OD1-N 3.16Å; N148-L152 PolarHBondContact O-N 3.26Å; N148-L152 VanDerWaalsContact O-N 3.1Å
149I89.3Confident89.7Confident40 Ų4075.6 Ų75.621%0.20540%0.402CS..Hα-helixtrans-57.3-45.7-179.5-62.7174.6000110.4L147 G151 L152 I153 R212 L215 Q216L147-I149 VanDerWaalsContact C-N 3.25Å; L147-I149 HydrophobicContact CD2-CG1 3.84Å; L147-I149 PolarHBondContact O-N 3.23Å; I149-G151 VanDerWaalsContact C-N 3.32Å; I149-G151 PolarHBondContact O-N 3.02Å; I149-L152 PolarHBondContact O-N 3.13Å; I149-I153 HydrophobicContact CG2-CG1 4.17Å; I149-I153 WeakPolarHBondContact O-CG1 3.44Å; I149-I153 PolarHBondContact O-N 3.28Å; I149-R212 HydrophobicContact CG2-CG 4.45Å; I149-L215 HydrophobicContact CD1-CB 4.5Å; I149-L215 HydrophobicContact CG1-CD1 4.48Å; I149-L215 HydrophobicContact CG2-CD1 4.2Å; I149-Q216 HydrophobicContact CD1-CG 4.36Å
150D91.8Very high90.3Very high109 Ų10973.3 Ų73.358%0.58339%0.388SS*.Hα-helixtrans-63.3-39.3-178.1-65.9-37.5000111.7N148 I153 S154N148-D150 VanDerWaalsContact C-N 3.31Å; N148-D150 PolarHBondContact O-N 3.21Å; D150-I153 PolarHBondContact O-N 3.27Å; D150-S154 PolarHBondContact O-N 3.04Å; D150-S154 PolarHBondContact O-OG 3.5Å
151G93.6Very high90.7Very high31 Ų3172.3 Ų72.332%0.3239%0.391SS..Hα-helixtrans-61.7-42.6173.600000113.4N148 I149 S154 K155N148-G151 PolarHBondContact O-N 2.93Å; N148-G151 PolarHBondContact OD1-N 3.16Å; I149-G151 VanDerWaalsContact C-N 3.32Å; I149-G151 PolarHBondContact O-N 3.02Å; G151-S154 PolarHBondContact O-N 3.06Å; G151-K155 PolarHBondContact O-N 3.3Å; G151-K155 VanDerWaalsContact O-N 3.09Å
152L92.5Very high91Very high21 Ų2177.8 Ų77.811%0.1141%0.414CS..Hα-helixtrans-64.1-44.2174.9-72.1172000111.5L147 N148 I149 K155 I156 E181 L215L147-L152 HydrophobicContact CD2-CD1 3.89Å; N148-L152 PolarHBondContact O-N 3.26Å; N148-L152 VanDerWaalsContact O-N 3.1Å; I149-L152 PolarHBondContact O-N 3.13Å; L152-K155 WeakPolarHBondContact O-CB 3.26Å; L152-K155 PolarHBondContact O-N 2.71Å; L152-I156 WeakPolarHBondContact O-CD1 3.45Å; L152-I156 WeakPolarHBondContact O-CG1 3.25Å; L152-I156 PolarHBondContact O-N 2.77Å; L152-E181 HydrophobicContact CD2-CG 4.06Å; L152-L215 HydrophobicContact CD1-CD1 4.11Å
153I95.7Very high91.3Very high4 Ų470 Ų702%0.02139%0.385CS..Hα-helixtrans-62.7-44.3177.3-65.5-51.9000111.1I149 D150 K155 I156 E157 V208 R212I149-I153 HydrophobicContact CG2-CG1 4.17Å; I149-I153 WeakPolarHBondContact O-CG1 3.44Å; I149-I153 PolarHBondContact O-N 3.28Å; D150-I153 PolarHBondContact O-N 3.27Å; I153-K155 VanDerWaalsContact C-N 3.28Å; I153-K155 PolarHBondContact O-N 2.85Å; I153-I156 HydrophobicContact CD1-CD1 4.17Å; I153-I156 WeakPolarHBondContact O-CB 3.1Å; I153-I156 PolarHBondContact O-N 3.32Å; I153-I156 VanDerWaalsContact O-N 3.09Å; I153-E157 HydrophobicContact CG2-CG 4.24Å; I153-E157 WeakPolarHBondContact O-CG 3.48Å; I153-E157 PolarHBondContact O-N 3.11Å; I153-V208 HydrophobicContact CD1-CG1 4.11Å; I153-V208 HydrophobicContact CG1-CG1 4.49Å; I153-V208 HydrophobicContact CG2-CG1 3.59Å; I153-V208 HydrophobicContact CG2-CG2 4.09Å; I153-R212 HydrophobicContact CD1-CB 4.49Å
154S96.4Very high91.6Very high69 Ų6971.4 Ų71.448%0.48339%0.394SS..Hα-helixtrans-61.8-35.1176.4-65.10000112.8D150 G151 K158D150-S154 PolarHBondContact O-N 3.04Å; D150-S154 PolarHBondContact O-OG 3.5Å; G151-S154 PolarHBondContact O-N 3.06Å; S154-K158 WeakPolarHBondContact O-CB 3.14Å; S154-K158 PolarHBondContact O-N 3.3Å; S154-K158 VanDerWaalsContact O-N 3.08Å
155K96.5Very high92.2Very high91 Ų9171.8 Ų71.840%0.39640%0.401SS..Hα-helixtrans-64-42.9173.1-173.8-176.3175.6-160.70111.1G151 L152 I153 K158 I159 K178 A179G151-K155 PolarHBondContact O-N 3.3Å; G151-K155 VanDerWaalsContact O-N 3.09Å; L152-K155 WeakPolarHBondContact O-CB 3.26Å; L152-K155 PolarHBondContact O-N 2.71Å; I153-K155 VanDerWaalsContact C-N 3.28Å; I153-K155 PolarHBondContact O-N 2.85Å; K155-K158 PolarHBondContact O-N 3.43Å; K155-I159 WeakPolarHBondContact O-CG1 3.42Å; K155-I159 PolarHBondContact O-N 3.36Å; K155-K178 PolarHBondContact NZ-O 2.84Å; K155-A179 HydrophobicContact CG-CB 4.45Å; K155-A179 PolarHBondContact NZ-O 3.27Å
156I97.1Very high93.4Very high0 Ų071.7 Ų71.70%038%0.384CS..Hα-helixtrans-63.9-49.8176.9-68.7160.1000110.7L152 I153 K158 I159 F160 A179 F207 V208 W211L152-I156 WeakPolarHBondContact O-CD1 3.45Å; L152-I156 WeakPolarHBondContact O-CG1 3.25Å; L152-I156 PolarHBondContact O-N 2.77Å; I153-I156 HydrophobicContact CD1-CD1 4.17Å; I153-I156 WeakPolarHBondContact O-CB 3.1Å; I153-I156 PolarHBondContact O-N 3.32Å; I153-I156 VanDerWaalsContact O-N 3.09Å; I156-K158 VanDerWaalsContact C-N 3.27Å; I156-K158 PolarHBondContact O-N 2.85Å; I156-I159 WeakPolarHBondContact O-CA 3.35Å; I156-I159 WeakPolarHBondContact O-CB 3.04Å; I156-I159 PolarHBondContact O-N 3.2Å; I156-F160 HydrophobicContact CG2-CD2 3.73Å; I156-F160 HydrophobicContact CG2-CE2 3.75Å; I156-F160 WeakPolarHBondContact O-CD2 3.42Å; I156-F160 PolarHBondContact O-N 2.61Å; I156-A179 HydrophobicContact CG1-CB 3.96Å; I156-F207 HydrophobicContact CD1-CE1 4.18Å; I156-F207 HydrophobicContact CG1-CE1 4.49Å; I156-F207 HydrophobicContact CG2-CD1 3.63Å; I156-F207 HydrophobicContact CG2-CE1 3.75Å; I156-V208 HydrophobicContact CG2-CG2 4.16Å; I156-W211 HydrophobicContact CD1-CG 4.27Å
157E97.3Very high94.4Very high89 Ų8969.9 Ų69.942%0.41637%0.366SS..Hα-helixtrans-56.9-40.6178.3-71.5172.2156.400111.8I153 I159 F160 S161 V204 V208I153-E157 HydrophobicContact CG2-CG 4.24Å; I153-E157 WeakPolarHBondContact O-CG 3.48Å; I153-E157 PolarHBondContact O-N 3.11Å; E157-I159 VanDerWaalsContact C-N 3.32Å; E157-I159 PolarHBondContact O-N 3.05Å; E157-F160 PolarHBondContact O-N 3.5Å; E157-S161 PolarHBondContact O-N 3.1Å; E157-V204 HydrophobicContact CG-CG2 4.08Å; E157-V208 HydrophobicContact CG-CG2 4.11Å
158K97.3Very high95.3Very high146 Ų14666.6 Ų66.664%0.63535%0.348SS*.Hα-helixtrans-64.3-32.3174.9-176.5-179.4177.3-1750113.5S154 K155 I156 S161 Q162S154-K158 WeakPolarHBondContact O-CB 3.14Å; S154-K158 PolarHBondContact O-N 3.3Å; S154-K158 VanDerWaalsContact O-N 3.08Å; K155-K158 PolarHBondContact O-N 3.43Å; I156-K158 VanDerWaalsContact C-N 3.27Å; I156-K158 PolarHBondContact O-N 2.85Å; K158-S161 PolarHBondContact O-OG 3.3Å; K158-Q162 PolarHBondContact O-NE2 2.99Å
159I97.4Very high95.7Very high34 Ų3464 Ų6417%0.17434%0.337CS..Hα-helixtrans-71.8-47173.3-68.9-63000109.6K155 I156 E157 S161 Q162 F163 L175 V176 A179K155-I159 WeakPolarHBondContact O-CG1 3.42Å; K155-I159 PolarHBondContact O-N 3.36Å; I156-I159 WeakPolarHBondContact O-CA 3.35Å; I156-I159 WeakPolarHBondContact O-CB 3.04Å; I156-I159 PolarHBondContact O-N 3.2Å; E157-I159 VanDerWaalsContact C-N 3.32Å; E157-I159 PolarHBondContact O-N 3.05Å; I159-S161 VanDerWaalsContact C-N 3.28Å; I159-S161 PolarHBondContact O-N 2.94Å; I159-Q162 WeakPolarHBondContact O-CB 3.34Å; I159-Q162 PolarHBondContact O-N 3.2Å; I159-F163 HydrophobicContact CG2-CE1 4.42Å; I159-F163 HydrophobicContact CG2-CE2 3.75Å; I159-F163 HydrophobicContact CG2-CZ 3.47Å; I159-F163 VanDerWaalsContact CG2-CZ 3.47Å; I159-L175 HydrophobicContact CG2-CB 4.18Å; I159-V176 HydrophobicContact CG2-CG2 4.24Å; I159-A179 HydrophobicContact CG1-CB 3.93Å
160F97.9Very high96.1Very high0 Ų064.5 Ų64.50%034%0.339CS..Hα-helixtrans-61.2-32.9178.2-87.3-97.9000113.7I156 E157 Q162 F163 E166 A168 V176 V204 F207I156-F160 HydrophobicContact CG2-CD2 3.73Å; I156-F160 HydrophobicContact CG2-CE2 3.75Å; I156-F160 WeakPolarHBondContact O-CD2 3.42Å; I156-F160 PolarHBondContact O-N 2.61Å; E157-F160 PolarHBondContact O-N 3.5Å; F160-Q162 PolarHBondContact O-N 3.44Å; F160-Q162 VanDerWaalsContact O-N 3.1Å; F160-F163 HydrophobicContact CB-CD2 4.44Å; F160-F163 HydrophobicContact CD1-CD2 4.12Å; F160-F163 HydrophobicContact CG-CD2 4.22Å; F160-F163 HydrophobicContact CG-CE2 4.37Å; F160-F163 PolarHBondContact O-N 2.78Å; F160-E166 WeakPolarHBondContact O-CA 3.47Å; F160-A168 HydrophobicContact CD1-CB 4.39Å; F160-A168 HydrophobicContact CE1-CB 3.66Å; F160-A168 HydrophobicContact CZ-CB 3.95Å; F160-V176 HydrophobicContact CD2-CG2 4.41Å; F160-V176 HydrophobicContact CE2-CB 4.47Å; F160-V176 HydrophobicContact CE2-CG1 3.81Å; F160-V176 HydrophobicContact CE2-CG2 3.76Å; F160-V176 HydrophobicContact CZ-CG1 4.31Å; F160-V176 HydrophobicContact CZ-CG2 4.1Å; F160-V204 HydrophobicContact CB-CB 3.74Å; F160-V204 HydrophobicContact CB-CG2 3.61Å; F160-V204 HydrophobicContact CD1-CB 3.65Å; F160-V204 HydrophobicContact CD1-CG2 4.19Å; F160-V204 HydrophobicContact CD2-CG2 4.22Å; F160-V204 HydrophobicContact CE1-CB 4.4Å; F160-V204 HydrophobicContact CG-CB 3.74Å; F160-V204 HydrophobicContact CG-CG2 3.76Å; F160-F207 HydrophobicContact CE1-CB 4.34Å; F160-F207 HydrophobicContact CE2-CB 4.17Å; F160-F207 AromaticContact CE2-CD1 3.7Å; F160-F207 HydrophobicContact CE2-CD1 3.7Å; F160-F207 HydrophobicContact CE2-CE1 4.3Å; F160-F207 AromaticContact CE2-CG 3.89Å; F160-F207 HydrophobicContact CE2-CG 3.89Å; F160-F207 HydrophobicContact CZ-CB 3.67Å; F160-F207 AromaticContact CZ-CD1 3.98Å; F160-F207 HydrophobicContact CZ-CD1 3.98Å; F160-F207 HydrophobicContact CZ-CD2 4.21Å; F160-F207 AromaticContact CZ-CG 3.66Å; F160-F207 HydrophobicContact CZ-CG 3.66Å
161S97.2Very high96.3Very high71 Ų7167.7 Ų67.750%0.49735%0.351SS..THydrogen-bonded Turntrans-63.8-14.2176.3680000114.1E157 K158 I159E157-S161 PolarHBondContact O-N 3.1Å; K158-S161 PolarHBondContact O-OG 3.3Å; I159-S161 VanDerWaalsContact C-N 3.28Å; I159-S161 PolarHBondContact O-N 2.94Å
162Q96.5Very high96.4Very high123 Ų12368.1 Ų68.158%0.57535%0.346SS*.THydrogen-bonded Turntrans-86.9-16.2176-61.3167.147.200112K158 I159 F160K158-Q162 PolarHBondContact O-NE2 2.99Å; I159-Q162 WeakPolarHBondContact O-CB 3.34Å; I159-Q162 PolarHBondContact O-N 3.2Å; F160-Q162 PolarHBondContact O-N 3.44Å; F160-Q162 VanDerWaalsContact O-N 3.1Å
163F96.4Very high96.7Very high16 Ų1667.1 Ų67.17%0.0734%0.34CS..SBendtrans-88.6148.7-178.4-53-39000112I159 F160 N165 E166 R167 A168 D172 L175 V176I159-F163 HydrophobicContact CG2-CE1 4.42Å; I159-F163 HydrophobicContact CG2-CE2 3.75Å; I159-F163 HydrophobicContact CG2-CZ 3.47Å; I159-F163 VanDerWaalsContact CG2-CZ 3.47Å; F160-F163 HydrophobicContact CB-CD2 4.44Å; F160-F163 HydrophobicContact CD1-CD2 4.12Å; F160-F163 HydrophobicContact CG-CD2 4.22Å; F160-F163 HydrophobicContact CG-CE2 4.37Å; F160-F163 PolarHBondContact O-N 2.78Å; F163-N165 PolarHBondContact O-N 2.93Å; F163-E166 PolarHBondContact O-N 3.17Å; F163-R167 WeakPolarHBondContact CB-O 3.15Å; F163-A168 HydrophobicContact CD2-CB 3.83Å; F163-A168 HydrophobicContact CE2-CB 3.87Å; F163-D172 HydrophobicContact CD1-CB 4.19Å; F163-D172 HydrophobicContact CD2-CB 4.46Å; F163-D172 HydrophobicContact CE1-CB 3.8Å; F163-D172 HydrophobicContact CE2-CB 4.1Å; F163-D172 HydrophobicContact CZ-CB 3.76Å; F163-L175 HydrophobicContact CE1-CD1 4.12Å; F163-L175 HydrophobicContact CZ-CB 4.38Å; F163-L175 HydrophobicContact CZ-CD1 4.39Å; F163-V176 HydrophobicContact CE2-CG2 3.75Å; F163-V176 HydrophobicContact CZ-CG2 4.11Å
164P95.1Very high96.8Very high101 Ų10167.4 Ų67.466%0.65635%0.345SS*.G310 helixtrans-55.1125.6175-24.534.4000111.9E166 R167P164-E166 PolarHBondContact O-N 2.72Å; P164-E166 VanDerWaalsContact O-N 3.16Å; P164-R167 PolarHBondContact O-N 3.23Å
165N94.1Very high96.8Very high139 Ų13968.8 Ų68.874%0.74335%0.346SS*.G310 helixtrans5722.5-178.2-53.3-54.6000114.9F163 R167F163-N165 PolarHBondContact O-N 2.93Å; N165-R167 HydrophobicContact CB-CG 4.42Å; N165-R167 PolarHBondContact O-N 3.48Å
166E96.1Very high96.9Very high92 Ų9264.5 Ų64.543%0.4333%0.328SS..G310 helixtrans54.938.2-175.4-53.7-178160.300112.7F160 F163 P164 V204F160-E166 WeakPolarHBondContact O-CA 3.47Å; F163-E166 PolarHBondContact O-N 3.17Å; P164-E166 PolarHBondContact O-N 2.72Å; P164-E166 VanDerWaalsContact O-N 3.16Å; E166-V204 HydrophobicContact CB-CB 4.42Å; E166-V204 HydrophobicContact CB-CG1 4.06Å; E166-V204 PolarHBondContact O-N 3.23Å; E166-V204 VanDerWaalsContact O-N 3.1Å
167R96.9Very high97Very high115 Ų11564.5 Ų64.543%0.43433%0.328SS..EExtended strand (participates in β ladder)trans-121.2125.9179.1-69.9170.5-177.9-164.73.3109.8F163 P164 N165 F201 V202F163-R167 WeakPolarHBondContact CB-O 3.15Å; P164-R167 PolarHBondContact O-N 3.23Å; N165-R167 HydrophobicContact CB-CG 4.42Å; N165-R167 PolarHBondContact O-N 3.48Å; R167-F201 HydrophobicContact CB-CB 4.32Å; R167-F201 HydrophobicContact CB-CD2 3.8Å; R167-F201 HydrophobicContact CB-CG 4.26Å; R167-F201 VanDerWaalsContact CD-CD2 3.45Å; R167-F201 HydrophobicContact CG-CD2 3.55Å; R167-F201 HydrophobicContact CG-CE2 3.84Å; R167-F201 HydrophobicContact CG-CG 4.4Å; R167-V202 CarbonylContact C-O 3.49Å; R167-V202 VanDerWaalsContact CA-O 3.28Å; R167-V202 WeakPolarHBondContact CA-O 3.37Å
168A97.6Very high97Very high0 Ų064.6 Ų64.60%033%0.327CS..EExtended strand (participates in β ladder)trans-96.6129.2175.600000110.1F160 F163 D172 M173 V176 F201 V202F160-A168 HydrophobicContact CD1-CB 4.39Å; F160-A168 HydrophobicContact CE1-CB 3.66Å; F160-A168 HydrophobicContact CZ-CB 3.95Å; F163-A168 HydrophobicContact CD2-CB 3.83Å; F163-A168 HydrophobicContact CE2-CB 3.87Å; A168-D172 HydrophobicContact CB-CB 3.99Å; A168-M173 HydrophobicContact CB-SD 3.97Å; A168-V176 HydrophobicContact CB-CG2 4.32Å; A168-F201 CarbonylContact O-C 3.49Å; A168-F201 VanDerWaalsContact O-CA 3.26Å; A168-F201 WeakPolarHBondContact O-CA 3.43Å; A168-V202 PolarHBondContact N-O 3.26Å; A168-V202 PolarHBondContact O-N 3.43Å
169T97.5Very high96.9Very high54 Ų5457.8 Ų57.833%0.33130%0.298SS..  trans-87.1173.3164.965.90000109.9E171 D172 M173T169-E171 PolarHBondContact O-N 2.89Å; T169-D172 PolarHBondContact N-OD2 3.44Å; T169-D172 WeakPolarHBondContact O-CB 3.44Å; T169-D172 PolarHBondContact O-N 3.18Å; T169-D172 PolarHBondContact OG1-OD2 3.38Å; T169-M173 VanDerWaalsContact O-CG 3.32Å; T169-M173 WeakPolarHBondContact O-CG 3.49Å; T169-M173 PolarHBondContact O-N 2.89Å
170I96.4Very high96.9Very high49 Ų4956.5 Ų56.525%0.25129%0.291SS..THydrogen-bonded Turntrans-58.1-30.4177.6-172.957.8000113D172 M173 M188 F191I170-D172 VanDerWaalsContact C-N 3.33Å; I170-D172 PolarHBondContact O-N 3.3Å; I170-M173 HydrophobicContact CD1-CB 4.45Å; I170-M173 PolarHBondContact O-N 3.37Å; I170-M188 HydrophobicContact CD1-CB 4.28Å; I170-M188 HydrophobicContact CD1-CE 3.69Å; I170-M188 HydrophobicContact CD1-SD 3.76Å; I170-M188 HydrophobicContact CG1-CE 3.85Å; I170-M188 HydrophobicContact CG1-SD 4.48Å; I170-F191 HydrophobicContact CB-CD1 4.5Å; I170-F191 HydrophobicContact CB-CE1 4.36Å; I170-F191 HydrophobicContact CB-CZ 4.38Å; I170-F191 HydrophobicContact CD1-CB 4Å; I170-F191 HydrophobicContact CD1-CD1 4.11Å; I170-F191 HydrophobicContact CD1-CG 4.01Å
171E95.8Very high96.8Very high177 Ų17763.2 Ų63.283%0.82732%0.323SS*.THydrogen-bonded Turntrans-66.6-35.4177.3-61.8178.2-176.100111.7T169 M173T169-E171 PolarHBondContact O-N 2.89Å; E171-M173 VanDerWaalsContact C-N 3.33Å
172D97.3Very high96.8Very high39 Ų3960.1 Ų60.121%0.20930%0.301CS..THydrogen-bonded Turntrans-76.7-21.3179.3-57-58.9000112.8F163 A168 T169 I170 G174 L175 V176F163-D172 HydrophobicContact CD1-CB 4.19Å; F163-D172 HydrophobicContact CD2-CB 4.46Å; F163-D172 HydrophobicContact CE1-CB 3.8Å; F163-D172 HydrophobicContact CE2-CB 4.1Å; F163-D172 HydrophobicContact CZ-CB 3.76Å; A168-D172 HydrophobicContact CB-CB 3.99Å; T169-D172 PolarHBondContact N-OD2 3.44Å; T169-D172 WeakPolarHBondContact O-CB 3.44Å; T169-D172 PolarHBondContact O-N 3.18Å; T169-D172 PolarHBondContact OG1-OD2 3.38Å; I170-D172 VanDerWaalsContact C-N 3.33Å; I170-D172 PolarHBondContact O-N 3.3Å; D172-G174 PolarHBondContact O-N 3.39Å; D172-G174 VanDerWaalsContact O-N 3.13Å; D172-L175 PolarHBondContact O-N 3.1Å; D172-L175 VanDerWaalsContact O-N 3.07Å; D172-V176 PolarHBondContact O-N 3.25Å
173M97.9Very high96.8Very high0 Ų055.3 Ų55.30%028%0.281CS..Hα-helixtrans-67.6-17.2-169.1-73.5-63.4-57.600114A168 T169 I170 E171 L175 V176 A177 K187 L190 F191 F207A168-M173 HydrophobicContact CB-SD 3.97Å; T169-M173 VanDerWaalsContact O-CG 3.32Å; T169-M173 WeakPolarHBondContact O-CG 3.49Å; T169-M173 PolarHBondContact O-N 2.89Å; I170-M173 HydrophobicContact CD1-CB 4.45Å; I170-M173 PolarHBondContact O-N 3.37Å; E171-M173 VanDerWaalsContact C-N 3.33Å; M173-L175 VanDerWaalsContact C-N 3.34Å; M173-V176 HydrophobicContact CE-CB 4.05Å; M173-V176 HydrophobicContact CE-CG1 3.92Å; M173-V176 PolarHBondContact O-N 3.14Å; M173-V176 HydrophobicContact SD-CB 4.01Å; M173-V176 HydrophobicContact SD-CG1 4.21Å; M173-V176 HydrophobicContact SD-CG2 4Å; M173-A177 WeakPolarHBondContact O-CB 3.31Å; M173-A177 PolarHBondContact O-N 3.48Å; M173-K187 HydrophobicContact CB-CB 3.76Å; M173-L190 HydrophobicContact CE-CB 3.58Å; M173-F191 HydrophobicContact CE-CB 4.2Å; M173-F191 HydrophobicContact CG-CB 4.01Å; M173-F191 HydrophobicContact CG-CD2 3.64Å; M173-F191 HydrophobicContact CG-CG 4.2Å; M173-F191 HydrophobicContact SD-CD2 4.11Å; M173-F207 HydrophobicContact CE-CD2 4.41Å; M173-F207 HydrophobicContact CE-CE2 3.81Å
174G97.4Very high96.9Very high11 Ų1156.9 Ų56.911%0.11329%0.29CS..Hα-helixtrans-61-42.9170.600000112.2D172 V176 A177 K178D172-G174 PolarHBondContact O-N 3.39Å; D172-G174 VanDerWaalsContact O-N 3.13Å; G174-V176 VanDerWaalsContact C-N 3.34Å; G174-A177 PolarHBondContact O-N 2.9Å; G174-K178 WeakPolarHBondContact O-CG 3.01Å; G174-K178 PolarHBondContact O-N 3.24Å
175L97.8Very high97Very high98 Ų9852.6 Ų52.651%0.51326%0.26SS..Hα-helixtrans-66.7-38175.5-64175000111.4I159 F163 D172 M173 K178 A179I159-L175 HydrophobicContact CG2-CB 4.18Å; F163-L175 HydrophobicContact CE1-CD1 4.12Å; F163-L175 HydrophobicContact CZ-CB 4.38Å; F163-L175 HydrophobicContact CZ-CD1 4.39Å; D172-L175 PolarHBondContact O-N 3.1Å; D172-L175 VanDerWaalsContact O-N 3.07Å; M173-L175 VanDerWaalsContact C-N 3.34Å; L175-K178 PolarHBondContact O-N 2.92Å; L175-A179 PolarHBondContact O-N 3.02Å
176V98Very high97.2Very high1 Ų146.1 Ų46.11%0.00623%0.225CC..Hα-helixtrans-66.1-41.7177.2-178.90000111.3I159 F160 F163 A168 D172 M173 G174 K178 A179 C180 F207I159-V176 HydrophobicContact CG2-CG2 4.24Å; F160-V176 HydrophobicContact CD2-CG2 4.41Å; F160-V176 HydrophobicContact CE2-CB 4.47Å; F160-V176 HydrophobicContact CE2-CG1 3.81Å; F160-V176 HydrophobicContact CE2-CG2 3.76Å; F160-V176 HydrophobicContact CZ-CG1 4.31Å; F160-V176 HydrophobicContact CZ-CG2 4.1Å; F163-V176 HydrophobicContact CE2-CG2 3.75Å; F163-V176 HydrophobicContact CZ-CG2 4.11Å; A168-V176 HydrophobicContact CB-CG2 4.32Å; D172-V176 PolarHBondContact O-N 3.25Å; M173-V176 HydrophobicContact CE-CB 4.05Å; M173-V176 HydrophobicContact CE-CG1 3.92Å; M173-V176 PolarHBondContact O-N 3.14Å; M173-V176 HydrophobicContact SD-CB 4.01Å; M173-V176 HydrophobicContact SD-CG1 4.21Å; M173-V176 HydrophobicContact SD-CG2 4Å; G174-V176 VanDerWaalsContact C-N 3.34Å; V176-K178 VanDerWaalsContact C-N 3.33Å; V176-K178 PolarHBondContact O-N 3.36Å; V176-A179 WeakPolarHBondContact O-CB 3.29Å; V176-A179 PolarHBondContact O-N 3.43Å; V176-A179 VanDerWaalsContact O-N 3.12Å; V176-C180 PolarHBondContact O-N 2.9Å; V176-C180 PolarHBondContact O-SG 3.48Å; V176-F207 HydrophobicContact CG1-CD1 4.21Å; V176-F207 HydrophobicContact CG1-CD2 4.4Å; V176-F207 HydrophobicContact CG1-CE1 3.53Å; V176-F207 HydrophobicContact CG1-CE2 3.77Å; V176-F207 HydrophobicContact CG1-CZ 3.28Å
177A98.1Very high97.3Very high0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-58.8-44.217600000111.5M173 G174 A179 C180 E181 C182 K187 L190M173-A177 WeakPolarHBondContact O-CB 3.31Å; M173-A177 PolarHBondContact O-N 3.48Å; G174-A177 PolarHBondContact O-N 2.9Å; A177-A179 VanDerWaalsContact C-N 3.34Å; A177-A179 PolarHBondContact O-N 3.04Å; A177-C180 CarbonylContact O-C 3.55Å; A177-C180 WeakPolarHBondContact O-CB 3.49Å; A177-C180 PolarHBondContact O-N 3.38Å; A177-C180 VanDerWaalsContact O-N 3.14Å; A177-E181 PolarHBondContact O-N 2.96Å; A177-C182 PolarHBondContact O-N 2.98Å; A177-K187 HydrophobicContact CB-CB 4.48Å; A177-L190 HydrophobicContact CB-CD1 3.94Å
178K97.4Very high97.4Very high91 Ų9138.6 Ų38.640%0.39620%0.195SC..Hα-helixtrans-66.2-33.2174.4-63.3-55.2-173.6177.90113.4K155 G174 L175 V176 C180 E181 E307K155-K178 PolarHBondContact NZ-O 2.84Å; G174-K178 WeakPolarHBondContact O-CG 3.01Å; G174-K178 PolarHBondContact O-N 3.24Å; L175-K178 PolarHBondContact O-N 2.92Å; V176-K178 VanDerWaalsContact C-N 3.33Å; V176-K178 PolarHBondContact O-N 3.36Å; K178-C180 VanDerWaalsContact C-N 3.28Å; K178-C180 PolarHBondContact O-N 3.23Å; K178-E181 PolarHBondContact O-N 2.99Å; K178-E307 VanDerWaalsContact CE-OE2 3.26Å; K178-E307 WeakPolarHBondContact CE-OE2 3.33Å; K178-E307 IonicContact NZ-OE1 2.79Å; K178-E307 PolarHBondContact NZ-OE1 3.5Å; K178-E307 IonicContact NZ-OE2 3.73Å; K178-E307 PolarHBondContact NZ-OE2 3.46Å
179A96.8Very high97.4Very high3 Ų338.8 Ų38.83%0.02520%0.197CC..Hα-helixtrans-63.5-38.1172.300000111.6K155 I156 I159 L175 V176 A177 E181K155-A179 HydrophobicContact CG-CB 4.45Å; K155-A179 PolarHBondContact NZ-O 3.27Å; I156-A179 HydrophobicContact CG1-CB 3.96Å; I159-A179 HydrophobicContact CG1-CB 3.93Å; L175-A179 PolarHBondContact O-N 3.02Å; V176-A179 WeakPolarHBondContact O-CB 3.29Å; V176-A179 PolarHBondContact O-N 3.43Å; V176-A179 VanDerWaalsContact O-N 3.12Å; A177-A179 VanDerWaalsContact C-N 3.34Å; A177-A179 PolarHBondContact O-N 3.04Å; A179-E181 PolarHBondContact O-N 3.27Å
180C96.1Very high97.4Very high6 Ų636.2 Ų36.24%0.04118%0.181CC..THydrogen-bonded Turntrans-76.8-2.2176.6-61.80000114.3V176 A177 K178 C182 F207 W211V176-C180 PolarHBondContact O-N 2.9Å; V176-C180 PolarHBondContact O-SG 3.48Å; A177-C180 CarbonylContact O-C 3.55Å; A177-C180 WeakPolarHBondContact O-CB 3.49Å; A177-C180 PolarHBondContact O-N 3.38Å; A177-C180 VanDerWaalsContact O-N 3.14Å; K178-C180 VanDerWaalsContact C-N 3.28Å; K178-C180 PolarHBondContact O-N 3.23Å; C180-C182 PolarHBondContact O-N 2.83Å; C180-F207 VanDerWaalsContact SG-CZ 3.57Å; C180-W211 HydrophobicContact CB-CH2 4.33Å; C180-W211 HydrophobicContact CB-CZ2 3.65Å
181E95.4Very high97.5Very high141 Ų14134.5 Ų34.566%0.65917%0.171SC*.THydrogen-bonded Turntrans60.732.9-174.2-54.5179.6169.500112.7L152 A177 K178 A179L152-E181 HydrophobicContact CD2-CG 4.06Å; A177-E181 PolarHBondContact O-N 2.96Å; K178-E181 PolarHBondContact O-N 2.99Å; A179-E181 PolarHBondContact O-N 3.27Å
182C97.2Very high97.6Very high6 Ų627.7 Ų27.74%0.04114%0.143CC..  trans-102156.2173.9-630000111.1A177 C180 W186A177-C182 PolarHBondContact O-N 2.98Å; C180-C182 PolarHBondContact O-N 2.83Å; C182-W186 HydrophobicContact CB-CB 3.9Å; C182-W186 HydrophobicContact CB-CD2 4.02Å; C182-W186 HydrophobicContact CB-CE3 3.95Å; C182-W186 HydrophobicContact CB-CG 4.02Å
183P97.7Very high97.5Very high23 Ų2327.7 Ų27.715%0.14915%0.146CC..  trans-55.9152.9166.7-23.733.7000112.4Y185 W186 A304 E307P183-Y185 VanDerWaalsContact C-N 3.31Å; P183-Y185 PolarHBondContact O-N 3.48Å; P183-W186 WeakPolarHBondContact O-CB 3.43Å; P183-W186 PolarHBondContact O-N 3.41Å; P183-W186 VanDerWaalsContact O-N 3.08Å; P183-A304 HydrophobicContact CB-CB 4.12Å; P183-A304 HydrophobicContact CG-CB 3.83Å; P183-E307 WeakPolarHBondContact CA-OE1 3.47Å
184L97.9Very high97.5Very high49 Ų4927.8 Ų27.826%0.25715%0.147SC..G310 helixtrans-54.1-45.4-175.1177.163.3000113.1W186 K187 E307L184-W186 PolarHBondContact O-N 2.93Å; L184-W186 VanDerWaalsContact O-N 3.08Å; L184-K187 HydrophobicContact CD1-CD 4.38Å; L184-K187 VanDerWaalsContact O-CB 3.29Å; L184-K187 WeakPolarHBondContact O-CB 3.48Å; L184-K187 WeakPolarHBondContact O-CG 3.36Å; L184-K187 PolarHBondContact O-N 3.26Å; L184-E307 HydrophobicContact CB-CB 3.84Å; L184-E307 HydrophobicContact CB-CG 4.27Å; L184-E307 WeakPolarHBondContact CB-OE2 3.26Å; L184-E307 HydrophobicContact CD2-CB 3.98Å; L184-E307 PolarHBondContact N-OE1 3.3Å
185Y97.9Very high97.4Very high11 Ų1127.7 Ų27.74%0.04315%0.146CC..G310 helixtrans-72.40.8-176-73.4-87.7000114.3P183 K187 F245 V249 H253 L306 E307P183-Y185 VanDerWaalsContact C-N 3.31Å; P183-Y185 PolarHBondContact O-N 3.48Å; Y185-K187 PolarHBondContact O-N 3.31Å; Y185-F245 WeakPolarHBondContact O-CE2 3.44Å; Y185-V249 HydrophobicContact CD1-CB 4.39Å; Y185-V249 HydrophobicContact CD1-CG2 3.74Å; Y185-V249 HydrophobicContact CE1-CB 4.46Å; Y185-V249 HydrophobicContact CE1-CG1 4.49Å; Y185-V249 HydrophobicContact CE1-CG2 4.28Å; Y185-H253 HydrophobicContact CE1-CB 4.43Å; Y185-H253 AromaticContact CZ-CD2 3.89Å; Y185-H253 VanDerWaalsContact OH-CA 3.24Å; Y185-H253 WeakPolarHBondContact OH-CA 3.14Å; Y185-H253 WeakPolarHBondContact OH-CB 3.38Å; Y185-H253 PolarHBondContact OH-CD2 3.04Å; Y185-H253 VanDerWaalsContact OH-CD2 3.25Å; Y185-L306 HydrophobicContact CD1-CD1 4.41Å; Y185-L306 HydrophobicContact CD2-CB 3.41Å; Y185-L306 VanDerWaalsContact CD2-CB 3.41Å; Y185-L306 HydrophobicContact CD2-CD1 4.25Å; Y185-L306 HydrophobicContact CD2-CG 4.48Å; Y185-L306 VanDerWaalsContact CE2-C 3.45Å; Y185-L306 HydrophobicContact CE2-CB 3.5Å; Y185-L306 VanDerWaalsContact CE2-O 3.27Å; Y185-L306 WeakPolarHBondContact CE2-O 3.38Å; Y185-L306 HydrophobicContact CG-CB 4.06Å; Y185-L306 HydrophobicContact CG-CD1 4.05Å; Y185-E307 HydrophobicContact CD2-CB 4.27Å; Y185-E307 HydrophobicContact CE2-CB 4.07Å
186W98.5Very high97.3Very high2 Ų223 Ų231%0.00812%0.121CC..G310 helixtrans-76.2-5.3165.9-71.741.6000112.5C182 P183 L184 M188 P189 L190 D221 K224 F225 L228 L300C182-W186 HydrophobicContact CB-CB 3.9Å; C182-W186 HydrophobicContact CB-CD2 4.02Å; C182-W186 HydrophobicContact CB-CE3 3.95Å; C182-W186 HydrophobicContact CB-CG 4.02Å; P183-W186 WeakPolarHBondContact O-CB 3.43Å; P183-W186 PolarHBondContact O-N 3.41Å; P183-W186 VanDerWaalsContact O-N 3.08Å; L184-W186 PolarHBondContact O-N 2.93Å; L184-W186 VanDerWaalsContact O-N 3.08Å; W186-M188 VanDerWaalsContact C-N 3.33Å; W186-M188 PolarHBondContact O-N 2.75Å; W186-P189 WeakPolarHBondContact O-CD 3.3Å; W186-L190 HydrophobicContact CB-CD1 4.29Å; W186-L190 WeakPolarHBondContact O-CB 3.48Å; W186-L190 VanDerWaalsContact O-CG 3.26Å; W186-L190 WeakPolarHBondContact O-CG 3.38Å; W186-L190 PolarHBondContact O-N 2.97Å; W186-D221 HydrophobicContact CH2-CB 3.87Å; W186-D221 WeakPolarHBondContact CH2-O 3.24Å; W186-D221 HydrophobicContact CZ2-CB 4.14Å; W186-K224 HydrophobicContact CH2-CB 4.15Å; W186-K224 HydrophobicContact CZ3-CB 3.87Å; W186-F225 HydrophobicContact CD2-CD2 4.04Å; W186-F225 AromaticContact CE2-CD2 3.64Å; W186-F225 HydrophobicContact CE3-CD2 4.43Å; W186-F225 HydrophobicContact CH2-CB 3.84Å; W186-F225 HydrophobicContact CH2-CD2 4.15Å; W186-F225 HydrophobicContact CZ2-CB 4.03Å; W186-F225 AromaticContact CZ2-CD2 3.72Å; W186-F225 HydrophobicContact CZ2-CD2 3.72Å; W186-F225 HydrophobicContact CZ2-CG 4.3Å; W186-F225 HydrophobicContact CZ3-CB 4.41Å; W186-F225 HydrophobicContact CZ3-CD2 4.48Å; W186-F225 AromaticContact NE1-CD2 3.98Å; W186-L228 HydrophobicContact CE3-CD1 3.85Å; W186-L228 HydrophobicContact CZ3-CD1 4.04Å; W186-L300 HydrophobicContact CZ2-CD2 4.16Å
187K97.9Very high97Very high21 Ų2127.3 Ų27.39%0.09114%0.144CC..Hα-helixtrans-52.7-44.8179.865.2-170.1-179.676.70113.3M173 A177 L184 Y185 F191 D248 S252M173-K187 HydrophobicContact CB-CB 3.76Å; A177-K187 HydrophobicContact CB-CB 4.48Å; L184-K187 HydrophobicContact CD1-CD 4.38Å; L184-K187 VanDerWaalsContact O-CB 3.29Å; L184-K187 WeakPolarHBondContact O-CB 3.48Å; L184-K187 WeakPolarHBondContact O-CG 3.36Å; L184-K187 PolarHBondContact O-N 3.26Å; Y185-K187 PolarHBondContact O-N 3.31Å; K187-F191 VanDerWaalsContact O-CB 3.28Å; K187-F191 WeakPolarHBondContact O-CB 3.48Å; K187-F191 PolarHBondContact O-N 3.05Å; K187-D248 WeakPolarHBondContact CE-OD2 3.47Å; K187-D248 VanDerWaalsContact CG-OD2 3.24Å; K187-D248 WeakPolarHBondContact CG-OD2 3.32Å; K187-D248 IonicContact NZ-OD1 3.87Å; K187-D248 PolarHBondContact NZ-OD1 3.33Å; K187-D248 IonicContact NZ-OD2 2.97Å; K187-D248 PolarHBondContact NZ-OD2 3.19Å; K187-S252 PolarHBondContact NZ-OG 2.92Å
188M97.9Very high96.8Very high29 Ų2937.4 Ų37.414%0.14318%0.182CC..Hα-helixtrans-71.9-49.1178.1-176.966.381.200113.3I170 W186 L190 F191 C192 P244 D248I170-M188 HydrophobicContact CD1-CB 4.28Å; I170-M188 HydrophobicContact CD1-CE 3.69Å; I170-M188 HydrophobicContact CD1-SD 3.76Å; I170-M188 HydrophobicContact CG1-CE 3.85Å; I170-M188 HydrophobicContact CG1-SD 4.48Å; W186-M188 VanDerWaalsContact C-N 3.33Å; W186-M188 PolarHBondContact O-N 2.75Å; M188-L190 VanDerWaalsContact C-N 3.26Å; M188-L190 PolarHBondContact O-N 3.42Å; M188-F191 WeakPolarHBondContact O-CB 3.48Å; M188-F191 PolarHBondContact O-N 2.97Å; M188-F191 HydrophobicContact SD-CD1 4.15Å; M188-C192 PolarHBondContact O-N 3.5Å; M188-P244 HydrophobicContact CG-CB 4.28Å; M188-P244 WeakPolarHBondContact CG-O 3.43Å; M188-D248 HydrophobicContact CB-CB 3.46Å; M188-D248 VanDerWaalsContact CB-CB 3.46Å; M188-D248 HydrophobicContact CE-CB 3.75Å; M188-D248 HydrophobicContact CG-CB 3.85Å
189P98.1Very high96.6Very high4 Ų436.4 Ų36.43%0.02618%0.184CC..Hα-helixtrans-47.2-46.4169.5-35.738.8000114.5W186 S193 F225 L228 L229 F245W186-P189 WeakPolarHBondContact O-CD 3.3Å; P189-S193 WeakPolarHBondContact O-CB 3.16Å; P189-S193 PolarHBondContact O-N 3.31Å; P189-F225 HydrophobicContact CG-CE2 4.24Å; P189-L228 HydrophobicContact CB-CB 4.12Å; P189-L228 HydrophobicContact CB-CD1 4.27Å; P189-L229 HydrophobicContact CB-CD1 3.54Å; P189-L229 HydrophobicContact CG-CD1 3.66Å; P189-F245 HydrophobicContact CG-CB 4.42Å; P189-F245 HydrophobicContact CG-CD2 3.93Å
190L98.3Very high96.6Very high0 Ų038.6 Ų38.60%021%0.206CC..Hα-helixtrans-65.1-40.9177.7-73.6170.3000112.1M173 A177 W186 M188 A194 F207 M210 W211 L228M173-L190 HydrophobicContact CE-CB 3.58Å; A177-L190 HydrophobicContact CB-CD1 3.94Å; W186-L190 HydrophobicContact CB-CD1 4.29Å; W186-L190 WeakPolarHBondContact O-CB 3.48Å; W186-L190 VanDerWaalsContact O-CG 3.26Å; W186-L190 WeakPolarHBondContact O-CG 3.38Å; W186-L190 PolarHBondContact O-N 2.97Å; M188-L190 VanDerWaalsContact C-N 3.26Å; M188-L190 PolarHBondContact O-N 3.42Å; L190-A194 WeakPolarHBondContact O-CB 3.49Å; L190-A194 PolarHBondContact O-N 3.04Å; L190-A194 VanDerWaalsContact O-N 3.16Å; L190-F207 HydrophobicContact CB-CE2 4.15Å; L190-F207 HydrophobicContact CD2-CE2 4.39Å; L190-F207 HydrophobicContact CD2-CZ 4.25Å; L190-M210 HydrophobicContact CD2-CE 4.35Å; L190-W211 HydrophobicContact CD2-CE3 3.67Å; L190-W211 HydrophobicContact CD2-CH2 4.19Å; L190-W211 HydrophobicContact CD2-CZ3 3.46Å; L190-W211 VanDerWaalsContact CD2-CZ3 3.46Å; L190-L228 HydrophobicContact CD2-CD1 3.89Å; L190-L228 HydrophobicContact CD2-CD2 4.03Å; L190-L228 HydrophobicContact CG-CD1 4.29Å
191F98.3Very high96.6Very high12 Ų1241.3 Ų41.35%0.05322%0.218CC..Hα-helixtrans-66.1-50.5179.6-174.8-107000111.9I170 M173 K187 M188 A194 G195 G196 V202I170-F191 HydrophobicContact CB-CD1 4.5Å; I170-F191 HydrophobicContact CB-CE1 4.36Å; I170-F191 HydrophobicContact CB-CZ 4.38Å; I170-F191 HydrophobicContact CD1-CB 4Å; I170-F191 HydrophobicContact CD1-CD1 4.11Å; I170-F191 HydrophobicContact CD1-CG 4.01Å; M173-F191 HydrophobicContact CE-CB 4.2Å; M173-F191 HydrophobicContact CG-CB 4.01Å; M173-F191 HydrophobicContact CG-CD2 3.64Å; M173-F191 HydrophobicContact CG-CG 4.2Å; M173-F191 HydrophobicContact SD-CD2 4.11Å; K187-F191 VanDerWaalsContact O-CB 3.28Å; K187-F191 WeakPolarHBondContact O-CB 3.48Å; K187-F191 PolarHBondContact O-N 3.05Å; M188-F191 WeakPolarHBondContact O-CB 3.48Å; M188-F191 PolarHBondContact O-N 2.97Å; M188-F191 HydrophobicContact SD-CD1 4.15Å; F191-A194 CarbonylContact O-C 3.54Å; F191-A194 PolarHBondContact O-N 3.26Å; F191-G195 PolarHBondContact O-N 3.07Å; F191-G196 WeakPolarHBondContact CE1-O 3.43Å; F191-G196 VanDerWaalsContact CZ-O 3.3Å; F191-G196 WeakPolarHBondContact CZ-O 3.01Å; F191-G196 PolarHBondContact O-N 3.37Å; F191-V202 HydrophobicContact CD2-CG2 3.66Å; F191-V202 HydrophobicContact CE2-CG2 3.82Å; F191-V202 HydrophobicContact CG-CG2 4.46Å
192C97.3Very high96.7Very high34 Ų3434.7 Ų34.723%0.2319%0.187CC..Hα-helixtrans-63.9-42.8178-68.60000111.9M188 A194 G195M188-C192 PolarHBondContact O-N 3.5Å; C192-A194 VanDerWaalsContact C-N 3.27Å; C192-A194 PolarHBondContact O-N 3.03Å; C192-G195 VanDerWaalsContact O-CA 3.26Å; C192-G195 WeakPolarHBondContact O-CA 3.45Å; C192-G195 PolarHBondContact O-N 3.11Å
193S96.5Very high96.8Very high40 Ų4036.2 Ų36.228%0.2820%0.197SC..Hα-helixtrans-64.3-33178.5-168.90000112.5P189 G195P189-S193 WeakPolarHBondContact O-CB 3.16Å; P189-S193 PolarHBondContact O-N 3.31Å; S193-G195 PolarHBondContact O-N 3.32Å
194A96.9Very high96.8Very high2 Ų235.6 Ų35.62%0.01719%0.193CC..THydrogen-bonded Turntrans-80.56170.500000113.4L190 F191 C192 V202 K206 F207 M210L190-A194 WeakPolarHBondContact O-CB 3.49Å; L190-A194 PolarHBondContact O-N 3.04Å; L190-A194 VanDerWaalsContact O-N 3.16Å; F191-A194 CarbonylContact O-C 3.54Å; F191-A194 PolarHBondContact O-N 3.26Å; C192-A194 VanDerWaalsContact C-N 3.27Å; C192-A194 PolarHBondContact O-N 3.03Å; A194-V202 HydrophobicContact CB-CB 4.35Å; A194-V202 HydrophobicContact CB-CG1 3.48Å; A194-V202 VanDerWaalsContact CB-CG1 3.48Å; A194-V202 HydrophobicContact CB-CG2 3.88Å; A194-K206 WeakPolarHBondContact O-CD 3.39Å; A194-K206 WeakPolarHBondContact O-CE 3.19Å; A194-K206 PolarHBondContact O-NZ 3.35Å; A194-F207 HydrophobicContact CB-CD2 3.97Å; A194-M210 HydrophobicContact CB-CE 3.94Å
195G94.9Very high96.7Very high8 Ų840.3 Ų40.38%0.08221%0.214CC..THydrogen-bonded Turntrans65.136177.200000114F191 C192 S193 D197 T199 K206F191-G195 PolarHBondContact O-N 3.07Å; C192-G195 VanDerWaalsContact O-CA 3.26Å; C192-G195 WeakPolarHBondContact O-CA 3.45Å; C192-G195 PolarHBondContact O-N 3.11Å; S193-G195 PolarHBondContact O-N 3.32Å; G195-D197 VanDerWaalsContact C-OD1 3.25Å; G195-D197 WeakPolarHBondContact CA-OD1 3.28Å; G195-T199 PolarHBondContact O-OG1 3.24Å; G195-T199 VanDerWaalsContact O-OG1 3.13Å; G195-K206 PolarHBondContact O-NZ 2.65Å; G195-K206 VanDerWaalsContact O-NZ 3.12Å
196G95.4Very high96.7Very high0 Ų044.2 Ų44.20%023%0.231CC..  trans-75.8-26.6176.100000113.6F191 R198 T199 G200 V202F191-G196 WeakPolarHBondContact CE1-O 3.43Å; F191-G196 VanDerWaalsContact CZ-O 3.3Å; F191-G196 WeakPolarHBondContact CZ-O 3.01Å; F191-G196 PolarHBondContact O-N 3.37Å; G196-R198 PolarHBondContact O-N 3.36Å; G196-T199 PolarHBondContact O-N 3.44Å; G196-G200 WeakPolarHBondContact O-CA 3.3Å; G196-G200 PolarHBondContact O-N 2.71Å; G196-V202 VanDerWaalsContact CA-CG2 3.46Å
197D92.7Very high96.7Very high91 Ų9144.1 Ų44.149%0.48723%0.23SC..THydrogen-bonded Turntrans-53.9-37.5172.762.2-41.4000112.5G195G195-D197 VanDerWaalsContact C-OD1 3.25Å; G195-D197 WeakPolarHBondContact CA-OD1 3.28Å
198R93.5Very high96.6Very high213 Ų21343.8 Ų43.880%0.80423%0.23SC*.THydrogen-bonded Turntrans-82-28.3-179.1-60.7176.4-166.3169.41.4113.9G196G196-R198 PolarHBondContact O-N 3.36Å
199T94.1Very high96.6Very high70 Ų7045.4 Ų45.443%0.42925%0.248SC..THydrogen-bonded Turntrans-110.8-10.6-171.444.20000113.7G195 G196 F201G195-T199 PolarHBondContact O-OG1 3.24Å; G195-T199 VanDerWaalsContact O-OG1 3.13Å; G196-T199 PolarHBondContact O-N 3.44Å; T199-F201 VanDerWaalsContact O-CD1 3.24Å; T199-F201 WeakPolarHBondContact O-CD1 3.43Å; T199-F201 WeakPolarHBondContact O-CE1 3.31Å; T199-F201 PolarHBondContact O-N 3.48Å; T199-F201 PolarHBondContact OG1-O 2.91Å
200G95.5Very high96.6Very high48 Ų4846.3 Ų46.350%0.49525%0.252SS..SBendtrans75.3-9.6-17200000114.5G196G196-G200 WeakPolarHBondContact O-CA 3.3Å; G196-G200 PolarHBondContact O-N 2.71Å
201F97.1Very high96.5Very high64 Ų6446.3 Ų46.328%0.28125%0.252SS..SBendtrans-152.9163.8178.466.7-92.7000111.1R167 A168 T199R167-F201 HydrophobicContact CB-CB 4.32Å; R167-F201 HydrophobicContact CB-CD2 3.8Å; R167-F201 HydrophobicContact CB-CG 4.26Å; R167-F201 VanDerWaalsContact CD-CD2 3.45Å; R167-F201 HydrophobicContact CG-CD2 3.55Å; R167-F201 HydrophobicContact CG-CE2 3.84Å; R167-F201 HydrophobicContact CG-CG 4.4Å; A168-F201 CarbonylContact O-C 3.49Å; A168-F201 VanDerWaalsContact O-CA 3.26Å; A168-F201 WeakPolarHBondContact O-CA 3.43Å; T199-F201 VanDerWaalsContact O-CD1 3.24Å; T199-F201 WeakPolarHBondContact O-CD1 3.43Å; T199-F201 WeakPolarHBondContact O-CE1 3.31Å; T199-F201 PolarHBondContact O-N 3.48Å; T199-F201 PolarHBondContact OG1-O 2.91Å
202V97.9Very high96.4Very high1 Ų150.5 Ų50.51%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-122.1131.7174.1-179.30000109.7R167 A168 F191 A194 G196 F207R167-V202 CarbonylContact C-O 3.49Å; R167-V202 VanDerWaalsContact CA-O 3.28Å; R167-V202 WeakPolarHBondContact CA-O 3.37Å; A168-V202 PolarHBondContact N-O 3.26Å; A168-V202 PolarHBondContact O-N 3.43Å; F191-V202 HydrophobicContact CD2-CG2 3.66Å; F191-V202 HydrophobicContact CE2-CG2 3.82Å; F191-V202 HydrophobicContact CG-CG2 4.46Å; A194-V202 HydrophobicContact CB-CB 4.35Å; A194-V202 HydrophobicContact CB-CG1 3.48Å; A194-V202 VanDerWaalsContact CB-CG1 3.48Å; A194-V202 HydrophobicContact CB-CG2 3.88Å; G196-V202 VanDerWaalsContact CA-CG2 3.46Å; V202-F207 HydrophobicContact CG1-CB 3.76Å; V202-F207 HydrophobicContact CG1-CD2 4.22Å; V202-F207 HydrophobicContact CG1-CG 4.49Å
203S97.8Very high96.3Very high38 Ų3854.8 Ų54.827%0.26628%0.283SS..EExtended strand (participates in β ladder)trans-83151.7172.366.50000112.1H205 K206 F207S203-H205 VanDerWaalsContact C-N 3.25Å; S203-H205 PolarHBondContact O-N 3.01Å; S203-K206 PolarHBondContact O-N 3.13Å; S203-K206 VanDerWaalsContact O-N 3.11Å; S203-F207 PolarHBondContact O-N 3.04Å
204V97.6Very high96.2Very high10 Ų1052.9 Ų52.96%0.06127%0.269CS..Hα-helixtrans-51-43.7177.666.40000112.8E157 F160 E166 K206 F207 V208E157-V204 HydrophobicContact CG-CG2 4.08Å; F160-V204 HydrophobicContact CB-CB 3.74Å; F160-V204 HydrophobicContact CB-CG2 3.61Å; F160-V204 HydrophobicContact CD1-CB 3.65Å; F160-V204 HydrophobicContact CD1-CG2 4.19Å; F160-V204 HydrophobicContact CD2-CG2 4.22Å; F160-V204 HydrophobicContact CE1-CB 4.4Å; F160-V204 HydrophobicContact CG-CB 3.74Å; F160-V204 HydrophobicContact CG-CG2 3.76Å; E166-V204 HydrophobicContact CB-CB 4.42Å; E166-V204 HydrophobicContact CB-CG1 4.06Å; E166-V204 PolarHBondContact O-N 3.23Å; E166-V204 VanDerWaalsContact O-N 3.1Å; V204-K206 PolarHBondContact O-N 3.4Å; V204-F207 PolarHBondContact O-N 3.32Å; V204-V208 HydrophobicContact CG2-CG2 4.05Å; V204-V208 VanDerWaalsContact O-CB 3.32Å; V204-V208 WeakPolarHBondContact O-CB 3.24Å; V204-V208 VanDerWaalsContact O-CG2 3.31Å; V204-V208 WeakPolarHBondContact O-CG2 3.49Å; V204-V208 PolarHBondContact O-N 2.93Å
205H96.6Very high96.1Very high149 Ų14953.4 Ų53.469%0.6927%0.272SS*.Hα-helixtrans-62.9-43.5-179.1-65.6-57.5000112.7S203 A209S203-H205 VanDerWaalsContact C-N 3.25Å; S203-H205 PolarHBondContact O-N 3.01Å; H205-A209 VanDerWaalsContact O-CB 3.26Å; H205-A209 WeakPolarHBondContact O-CB 3.38Å; H205-A209 PolarHBondContact O-N 2.96Å; H205-A209 VanDerWaalsContact O-N 3.08Å
206K97.1Very high95.9Very high92 Ų9258.7 Ų58.740%0.429%0.294SS..Hα-helixtrans-68.7-41.7179.6-166.9177.9-178.4-156.40110.4A194 G195 S203 V204 M210A194-K206 WeakPolarHBondContact O-CD 3.39Å; A194-K206 WeakPolarHBondContact O-CE 3.19Å; A194-K206 PolarHBondContact O-NZ 3.35Å; G195-K206 PolarHBondContact O-NZ 2.65Å; G195-K206 VanDerWaalsContact O-NZ 3.12Å; S203-K206 PolarHBondContact O-N 3.13Å; S203-K206 VanDerWaalsContact O-N 3.11Å; V204-K206 PolarHBondContact O-N 3.4Å; K206-M210 WeakPolarHBondContact O-CB 3.21Å; K206-M210 PolarHBondContact O-N 3.2Å; K206-M210 VanDerWaalsContact O-N 3.09Å
207F98.3Very high95.7Very high0 Ų060.7 Ų60.70%031%0.306CS..Hα-helixtrans-63.7-52.4177.5-170.3-94.5000112.3I156 F160 M173 V176 C180 L190 A194 V202 S203 V204 A209 M210 W211I156-F207 HydrophobicContact CD1-CE1 4.18Å; I156-F207 HydrophobicContact CG1-CE1 4.49Å; I156-F207 HydrophobicContact CG2-CD1 3.63Å; I156-F207 HydrophobicContact CG2-CE1 3.75Å; F160-F207 HydrophobicContact CE1-CB 4.34Å; F160-F207 HydrophobicContact CE2-CB 4.17Å; F160-F207 AromaticContact CE2-CD1 3.7Å; F160-F207 HydrophobicContact CE2-CD1 3.7Å; F160-F207 HydrophobicContact CE2-CE1 4.3Å; F160-F207 AromaticContact CE2-CG 3.89Å; F160-F207 HydrophobicContact CE2-CG 3.89Å; F160-F207 HydrophobicContact CZ-CB 3.67Å; F160-F207 AromaticContact CZ-CD1 3.98Å; F160-F207 HydrophobicContact CZ-CD1 3.98Å; F160-F207 HydrophobicContact CZ-CD2 4.21Å; F160-F207 AromaticContact CZ-CG 3.66Å; F160-F207 HydrophobicContact CZ-CG 3.66Å; M173-F207 HydrophobicContact CE-CD2 4.41Å; M173-F207 HydrophobicContact CE-CE2 3.81Å; V176-F207 HydrophobicContact CG1-CD1 4.21Å; V176-F207 HydrophobicContact CG1-CD2 4.4Å; V176-F207 HydrophobicContact CG1-CE1 3.53Å; V176-F207 HydrophobicContact CG1-CE2 3.77Å; V176-F207 HydrophobicContact CG1-CZ 3.28Å; C180-F207 VanDerWaalsContact SG-CZ 3.57Å; L190-F207 HydrophobicContact CB-CE2 4.15Å; L190-F207 HydrophobicContact CD2-CE2 4.39Å; L190-F207 HydrophobicContact CD2-CZ 4.25Å; A194-F207 HydrophobicContact CB-CD2 3.97Å; V202-F207 HydrophobicContact CG1-CB 3.76Å; V202-F207 HydrophobicContact CG1-CD2 4.22Å; V202-F207 HydrophobicContact CG1-CG 4.49Å; S203-F207 PolarHBondContact O-N 3.04Å; V204-F207 PolarHBondContact O-N 3.32Å; F207-A209 VanDerWaalsContact C-N 3.31Å; F207-A209 PolarHBondContact O-N 2.81Å; F207-M210 HydrophobicContact CD2-CE 4.02Å; F207-M210 HydrophobicContact CE2-CE 3.79Å; F207-M210 HydrophobicContact CZ-CE 4.41Å; F207-M210 PolarHBondContact O-N 3.03Å; F207-W211 HydrophobicContact CE1-CB 4.17Å; F207-W211 HydrophobicContact CE1-CG 4.42Å; F207-W211 WeakPolarHBondContact O-CB 3.42Å; F207-W211 PolarHBondContact O-N 3.14Å
208V97.8Very high95.8Very high14 Ų1456.6 Ų56.69%0.08529%0.285CS..Hα-helixtrans-59.9-41.4179.9164.90000111.2I153 I156 E157 V204 R212I153-V208 HydrophobicContact CD1-CG1 4.11Å; I153-V208 HydrophobicContact CG1-CG1 4.49Å; I153-V208 HydrophobicContact CG2-CG1 3.59Å; I153-V208 HydrophobicContact CG2-CG2 4.09Å; I156-V208 HydrophobicContact CG2-CG2 4.16Å; E157-V208 HydrophobicContact CG-CG2 4.11Å; V204-V208 HydrophobicContact CG2-CG2 4.05Å; V204-V208 VanDerWaalsContact O-CB 3.32Å; V204-V208 WeakPolarHBondContact O-CB 3.24Å; V204-V208 VanDerWaalsContact O-CG2 3.31Å; V204-V208 WeakPolarHBondContact O-CG2 3.49Å; V204-V208 PolarHBondContact O-N 2.93Å; V208-R212 WeakPolarHBondContact O-CB 3.5Å; V208-R212 PolarHBondContact O-N 3.2Å
209A97.3Very high95.8Very high63 Ų6348.9 Ų48.952%0.52126%0.258SS..Hα-helixtrans-62.2-45.2176.600000112.1H205 F207 K213H205-A209 VanDerWaalsContact O-CB 3.26Å; H205-A209 WeakPolarHBondContact O-CB 3.38Å; H205-A209 PolarHBondContact O-N 2.96Å; H205-A209 VanDerWaalsContact O-N 3.08Å; F207-A209 VanDerWaalsContact C-N 3.31Å; F207-A209 PolarHBondContact O-N 2.81Å; A209-K213 PolarHBondContact O-N 2.86Å
210M97.1Very high95.9Very high24 Ų2447.4 Ų47.412%0.11825%0.247CC..Hα-helixtrans-62.6-53.4175.5177.8-79.1-72.400110.9L190 A194 K206 F207 R212 K213 T214 L228L190-M210 HydrophobicContact CD2-CE 4.35Å; A194-M210 HydrophobicContact CB-CE 3.94Å; K206-M210 WeakPolarHBondContact O-CB 3.21Å; K206-M210 PolarHBondContact O-N 3.2Å; K206-M210 VanDerWaalsContact O-N 3.09Å; F207-M210 HydrophobicContact CD2-CE 4.02Å; F207-M210 HydrophobicContact CE2-CE 3.79Å; F207-M210 HydrophobicContact CZ-CE 4.41Å; F207-M210 PolarHBondContact O-N 3.03Å; M210-R212 PolarHBondContact O-N 2.77Å; M210-K213 WeakPolarHBondContact O-CB 3.38Å; M210-K213 PolarHBondContact O-N 3.29Å; M210-K213 VanDerWaalsContact O-N 3.09Å; M210-T214 PolarHBondContact O-N 3.16Å; M210-T214 PolarHBondContact O-OG1 3.01Å; M210-L228 HydrophobicContact CE-CD2 4.3Å; M210-L228 HydrophobicContact SD-CD2 3.89Å
211W97.3Very high95.9Very high0 Ų049 Ų490%024%0.244CC..Hα-helixtrans-65.6-38-174-168.4-120.1000112.6I156 C180 L190 F207 K213 T214 L215 K224 L228I156-W211 HydrophobicContact CD1-CG 4.27Å; C180-W211 HydrophobicContact CB-CH2 4.33Å; C180-W211 HydrophobicContact CB-CZ2 3.65Å; L190-W211 HydrophobicContact CD2-CE3 3.67Å; L190-W211 HydrophobicContact CD2-CH2 4.19Å; L190-W211 HydrophobicContact CD2-CZ3 3.46Å; L190-W211 VanDerWaalsContact CD2-CZ3 3.46Å; F207-W211 HydrophobicContact CE1-CB 4.17Å; F207-W211 HydrophobicContact CE1-CG 4.42Å; F207-W211 WeakPolarHBondContact O-CB 3.42Å; F207-W211 PolarHBondContact O-N 3.14Å; W211-K213 VanDerWaalsContact C-N 3.32Å; W211-K213 PolarHBondContact O-N 3.35Å; W211-T214 HydrophobicContact CE3-CG2 4.18Å; W211-T214 HydrophobicContact CZ3-CG2 3.93Å; W211-T214 PolarHBondContact O-N 3.5Å; W211-L215 HydrophobicContact CD2-CG 4.47Å; W211-L215 HydrophobicContact CZ2-CD2 4.03Å; W211-L215 HydrophobicContact CZ2-CG 4.5Å; W211-L215 WeakPolarHBondContact O-CG 3.37Å; W211-L215 PolarHBondContact O-N 3.1Å; W211-K224 HydrophobicContact CH2-CD 4.27Å; W211-L228 HydrophobicContact CZ3-CD1 4.33Å; W211-L228 HydrophobicContact CZ3-CD2 4.43Å
212R95.9Very high95.9Very high99 Ų9946.2 Ų46.237%0.37423%0.233SC..Hα-helixtrans-59.7-43173.4-176.2178.2-67.7-175.6-2.2111.4I149 I153 V208 M210 Q216I149-R212 HydrophobicContact CG2-CG 4.45Å; I153-R212 HydrophobicContact CD1-CB 4.49Å; V208-R212 WeakPolarHBondContact O-CB 3.5Å; V208-R212 PolarHBondContact O-N 3.2Å; M210-R212 PolarHBondContact O-N 2.77Å; R212-Q216 VanDerWaalsContact O-CG 3.24Å; R212-Q216 WeakPolarHBondContact O-CG 3.32Å; R212-Q216 PolarHBondContact O-N 2.81Å
213K94.5Very high95.8Very high124 Ų12446.4 Ų46.454%0.53924%0.235SC..Hα-helixtrans-62.2-47175.6-176-176.9176.9-173.20110.6A209 M210 W211 L215 Q216 T217A209-K213 PolarHBondContact O-N 2.86Å; M210-K213 WeakPolarHBondContact O-CB 3.38Å; M210-K213 PolarHBondContact O-N 3.29Å; M210-K213 VanDerWaalsContact O-N 3.09Å; W211-K213 VanDerWaalsContact C-N 3.32Å; W211-K213 PolarHBondContact O-N 3.35Å; K213-L215 PolarHBondContact O-N 3.23Å; K213-Q216 PolarHBondContact O-N 2.76Å; K213-Q216 VanDerWaalsContact O-N 3.13Å; K213-T217 PolarHBondContact O-N 2.91Å; K213-T217 VanDerWaalsContact O-N 3.07Å; K213-T217 PolarHBondContact O-OG1 2.73Å; K213-T217 VanDerWaalsContact O-OG1 3.1Å
214T94.9Very high95.8Very high0 Ų046.3 Ų46.30%023%0.23CC..Hα-helixtrans-57.7-47.3177.9-56.60000112M210 W211 Q216 T217 C218 K224 H227M210-T214 PolarHBondContact O-N 3.16Å; M210-T214 PolarHBondContact O-OG1 3.01Å; W211-T214 HydrophobicContact CE3-CG2 4.18Å; W211-T214 HydrophobicContact CZ3-CG2 3.93Å; W211-T214 PolarHBondContact O-N 3.5Å; T214-Q216 PolarHBondContact O-N 2.84Å; T214-T217 PolarHBondContact O-N 2.72Å; T214-C218 HydrophobicContact CG2-CB 4.33Å; T214-C218 WeakPolarHBondContact O-CA 3.32Å; T214-C218 WeakPolarHBondContact O-CB 3.32Å; T214-C218 PolarHBondContact O-N 3.49Å; T214-K224 HydrophobicContact CG2-CB 4.31Å; T214-K224 HydrophobicContact CG2-CG 4.13Å; T214-H227 PolarHBondContact OG1-CD2 3.12Å
215L93.9Very high95.8Very high13 Ų1345.9 Ų45.97%0.06823%0.227CC..Hα-helixtrans-64.2-28178.3-69.4176.8000113.4L147 I149 L152 W211 K213L147-L215 HydrophobicContact CD2-CD2 4.27Å; I149-L215 HydrophobicContact CD1-CB 4.5Å; I149-L215 HydrophobicContact CG1-CD1 4.48Å; I149-L215 HydrophobicContact CG2-CD1 4.2Å; L152-L215 HydrophobicContact CD1-CD1 4.11Å; W211-L215 HydrophobicContact CD2-CG 4.47Å; W211-L215 HydrophobicContact CZ2-CD2 4.03Å; W211-L215 HydrophobicContact CZ2-CG 4.5Å; W211-L215 WeakPolarHBondContact O-CG 3.37Å; W211-L215 PolarHBondContact O-N 3.1Å; K213-L215 PolarHBondContact O-N 3.23Å
216Q91.9Very high95.8Very high120 Ų12039 Ų3956%0.56120%0.195SC*.Hα-helixtrans-79.5-29.3177.6-72.9171.9-400113I149 R212 K213 T214 H219I149-Q216 HydrophobicContact CD1-CG 4.36Å; R212-Q216 VanDerWaalsContact O-CG 3.24Å; R212-Q216 WeakPolarHBondContact O-CG 3.32Å; R212-Q216 PolarHBondContact O-N 2.81Å; K213-Q216 PolarHBondContact O-N 2.76Å; K213-Q216 VanDerWaalsContact O-N 3.13Å; T214-Q216 PolarHBondContact O-N 2.84Å; Q216-H219 PolarHBondContact O-CE1 2.92Å; Q216-H219 VanDerWaalsContact O-CE1 3.27Å
217T91.8Very high95.8Very high41 Ų4137.9 Ų37.925%0.25219%0.191SC..Hα-helixtrans-105-21.5-175.9580000114.2Q140 K213 T214Q140-T217 WeakPolarHBondContact CB-O 3.45Å; Q140-T217 WeakPolarHBondContact CG-O 3.5Å; Q140-T217 PolarHBondContact OE1-O 3.19Å; K213-T217 PolarHBondContact O-N 2.91Å; K213-T217 VanDerWaalsContact O-N 3.07Å; K213-T217 PolarHBondContact O-OG1 2.73Å; K213-T217 VanDerWaalsContact O-OG1 3.1Å; T214-T217 PolarHBondContact O-N 2.72Å
218C94.4Very high95.8Very high5 Ų538.3 Ų38.33%0.03419%0.194CC..  trans-123.7119.3-174.4-61.80000110T214 S223 K224 H227T214-C218 HydrophobicContact CG2-CB 4.33Å; T214-C218 WeakPolarHBondContact O-CA 3.32Å; T214-C218 WeakPolarHBondContact O-CB 3.32Å; T214-C218 PolarHBondContact O-N 3.49Å; C218-S223 WeakPolarHBondContact CB-OG 3.5Å; C218-S223 PolarHBondContact SG-O 2.93Å; C218-K224 HydrophobicContact CB-CB 4.37Å; C218-K224 HydrophobicContact CB-CG 3.75Å; C218-H227 VanDerWaalsContact SG-CB 3.58Å
219H93.9Very high95.7Very high51 Ų5138.7 Ų38.724%0.23620%0.195CC..  trans-111.34-168.3-51.8-55.5000113.9Q140 G141 R142 Q216 S223Q140-H219 WeakPolarHBondContact O-CB 3.13Å; Q140-H219 PolarHBondContact O-N 3.05Å; G141-H219 PolarHBondContact O-CD2 3.49Å; G141-H219 VanDerWaalsContact O-CD2 3.26Å; R142-H219 WeakPolarHBondContact O-CB 3.31Å; Q216-H219 PolarHBondContact O-CE1 2.92Å; Q216-H219 VanDerWaalsContact O-CE1 3.27Å; H219-S223 PolarHBondContact N-OG 2.93Å
220D94.8Very high95.7Very high39 Ų3936.6 Ų36.621%0.20918%0.178CC..SBendtrans-146.5166.8172.656.736.9000110.8G141 A222 S223 K224 R295G141-D220 VanDerWaalsContact CA-OD2 3.24Å; G141-D220 WeakPolarHBondContact CA-OD2 3.41Å; D220-A222 VanDerWaalsContact C-N 3.33Å; D220-A222 PolarHBondContact O-N 3.3Å; D220-S223 PolarHBondContact N-OG 3.39Å; D220-S223 PolarHBondContact O-N 3.09Å; D220-S223 PolarHBondContact O-OG 2.73Å; D220-S223 WeakPolarHBondContact OD1-CB 3.45Å; D220-S223 PolarHBondContact OD1-N 3.48Å; D220-S223 PolarHBondContact OD1-OG 3.44Å; D220-K224 WeakPolarHBondContact O-CG 3.35Å; D220-K224 PolarHBondContact O-N 3.1Å; D220-R295 IonicContact OD1-CZ 3.92Å; D220-R295 IonicContact OD1-NE 3.9Å; D220-R295 IonicContact OD1-NH2 2.68Å; D220-R295 PolarHBondContact OD1-NH2 3.04Å; D220-R295 VanDerWaalsContact OD1-NH2 3.13Å; D220-R295 IonicContact OD2-CZ 2.61Å; D220-R295 IonicContact OD2-NE 2.78Å; D220-R295 PolarHBondContact OD2-NE 3.17Å; D220-R295 IonicContact OD2-NH2 2.74Å; D220-R295 PolarHBondContact OD2-NH2 3.39Å
221D96.4Very high95.6Very high81 Ų8139.4 Ų39.443%0.43319%0.19SC..Hα-helixtrans-68-33.8-172.5-63.7-21.5000112.5W186 S223 K224 F225 L300W186-D221 HydrophobicContact CH2-CB 3.87Å; W186-D221 WeakPolarHBondContact CH2-O 3.24Å; W186-D221 HydrophobicContact CZ2-CB 4.14Å; D221-S223 PolarHBondContact O-N 3.42Å; D221-K224 PolarHBondContact O-N 3.28Å; D221-K224 IonicContact OD1-NZ 3.78Å; D221-K224 PolarHBondContact OD1-NZ 3.23Å; D221-F225 VanDerWaalsContact O-CB 3.27Å; D221-F225 WeakPolarHBondContact O-CB 3.39Å; D221-F225 PolarHBondContact O-N 2.9Å; D221-L300 HydrophobicContact CB-CD1 4.08Å
222A97.1Very high95.3Very high6 Ų645.8 Ų45.85%0.0523%0.231CC..Hα-helixtrans-60.7-46.7173.600000112.7D220 V226 L294 R295 L300D220-A222 VanDerWaalsContact C-N 3.33Å; D220-A222 PolarHBondContact O-N 3.3Å; A222-V226 WeakPolarHBondContact O-CG2 3.2Å; A222-V226 PolarHBondContact O-N 3.17Å; A222-L294 HydrophobicContact CB-CB 4.24Å; A222-L294 HydrophobicContact CB-CD2 4.16Å; A222-L294 HydrophobicContact CB-CG 4.25Å; A222-R295 HydrophobicContact CB-CB 4.49Å; A222-R295 HydrophobicContact CB-CG 3.47Å; A222-R295 VanDerWaalsContact CB-CG 3.47Å; A222-L300 HydrophobicContact CB-CD1 4.25Å
223S96.3Very high95Very high5 Ų545.3 Ų45.34%0.03526%0.257CS..Hα-helixtrans-67.8-35.4177.257.60000112.4Q140 C218 H219 D220 D221 H227Q140-S223 PolarHBondContact O-OG 3.38Å; C218-S223 WeakPolarHBondContact CB-OG 3.5Å; C218-S223 PolarHBondContact SG-O 2.93Å; H219-S223 PolarHBondContact N-OG 2.93Å; D220-S223 PolarHBondContact N-OG 3.39Å; D220-S223 PolarHBondContact O-N 3.09Å; D220-S223 PolarHBondContact O-OG 2.73Å; D220-S223 WeakPolarHBondContact OD1-CB 3.45Å; D220-S223 PolarHBondContact OD1-N 3.48Å; D220-S223 PolarHBondContact OD1-OG 3.44Å; D221-S223 PolarHBondContact O-N 3.42Å; S223-H227 WeakPolarHBondContact O-CB 3.33Å; S223-H227 PolarHBondContact O-N 3.2Å
224K96.9Very high95Very high37 Ų3741.3 Ų41.316%0.16124%0.244CC..Hα-helixtrans-65.5-50.6174-66.4172.4-159158.60110.8W186 W211 T214 C218 D220 D221 V226 H227 L228W186-K224 HydrophobicContact CH2-CB 4.15Å; W186-K224 HydrophobicContact CZ3-CB 3.87Å; W211-K224 HydrophobicContact CH2-CD 4.27Å; T214-K224 HydrophobicContact CG2-CB 4.31Å; T214-K224 HydrophobicContact CG2-CG 4.13Å; C218-K224 HydrophobicContact CB-CB 4.37Å; C218-K224 HydrophobicContact CB-CG 3.75Å; D220-K224 WeakPolarHBondContact O-CG 3.35Å; D220-K224 PolarHBondContact O-N 3.1Å; D221-K224 PolarHBondContact O-N 3.28Å; D221-K224 IonicContact OD1-NZ 3.78Å; D221-K224 PolarHBondContact OD1-NZ 3.23Å; K224-V226 PolarHBondContact O-N 2.95Å; K224-H227 WeakPolarHBondContact O-CB 3.44Å; K224-H227 PolarHBondContact O-N 3.14Å; K224-H227 VanDerWaalsContact O-N 3.11Å; K224-L228 VanDerWaalsContact O-CG 3.28Å; K224-L228 WeakPolarHBondContact O-CG 3.12Å; K224-L228 PolarHBondContact O-N 2.88Å
225F97.9Very high94.9Very high0 Ų046.1 Ų46.10%027%0.27CS..Hα-helixtrans-59.9-48.8-177.4-166.5-96.5000111.3W186 P189 D221 H227 L228 L229 L237 F242 F245 L294 F299 L300W186-F225 HydrophobicContact CD2-CD2 4.04Å; W186-F225 AromaticContact CE2-CD2 3.64Å; W186-F225 HydrophobicContact CE3-CD2 4.43Å; W186-F225 HydrophobicContact CH2-CB 3.84Å; W186-F225 HydrophobicContact CH2-CD2 4.15Å; W186-F225 HydrophobicContact CZ2-CB 4.03Å; W186-F225 AromaticContact CZ2-CD2 3.72Å; W186-F225 HydrophobicContact CZ2-CD2 3.72Å; W186-F225 HydrophobicContact CZ2-CG 4.3Å; W186-F225 HydrophobicContact CZ3-CB 4.41Å; W186-F225 HydrophobicContact CZ3-CD2 4.48Å; W186-F225 AromaticContact NE1-CD2 3.98Å; P189-F225 HydrophobicContact CG-CE2 4.24Å; D221-F225 VanDerWaalsContact O-CB 3.27Å; D221-F225 WeakPolarHBondContact O-CB 3.39Å; D221-F225 PolarHBondContact O-N 2.9Å; F225-H227 VanDerWaalsContact C-N 3.31Å; F225-H227 PolarHBondContact O-N 2.87Å; F225-L228 PolarHBondContact O-N 2.73Å; F225-L228 VanDerWaalsContact O-N 3.16Å; F225-L229 HydrophobicContact CD1-CD1 4.16Å; F225-L229 HydrophobicContact CD1-CD2 4.42Å; F225-L229 HydrophobicContact CD2-CD1 4.22Å; F225-L229 HydrophobicContact CE1-CD1 3.96Å; F225-L229 HydrophobicContact CE1-CD2 3.64Å; F225-L229 HydrophobicContact CE1-CG 4.46Å; F225-L229 HydrophobicContact CE2-CD1 4.03Å; F225-L229 HydrophobicContact CG-CD1 4.29Å; F225-L229 HydrophobicContact CZ-CD1 3.9Å; F225-L229 HydrophobicContact CZ-CD2 3.82Å; F225-L229 VanDerWaalsContact O-CD1 3.31Å; F225-L229 WeakPolarHBondContact O-CD1 3.33Å; F225-L229 PolarHBondContact O-N 3.04Å; F225-L229 VanDerWaalsContact O-N 3.16Å; F225-L237 HydrophobicContact CD1-CD1 4.22Å; F225-L237 HydrophobicContact CE1-CD1 4.32Å; F225-F242 HydrophobicContact CE1-CE1 4.13Å; F225-F245 HydrophobicContact CZ-CD2 4.46Å; F225-L294 HydrophobicContact CB-CD2 4.25Å; F225-L294 HydrophobicContact CD1-CD2 3.95Å; F225-L294 HydrophobicContact CG-CD2 4.49Å; F225-F299 AromaticContact CE1-CE1 3.84Å; F225-F299 HydrophobicContact CE1-CE1 3.84Å; F225-F299 AromaticContact CZ-CE1 3.95Å; F225-F299 HydrophobicContact CZ-CE1 3.95Å; F225-L300 HydrophobicContact CB-CD1 4.45Å; F225-L300 HydrophobicContact CB-CD2 4.03Å; F225-L300 HydrophobicContact CD1-CD2 3.97Å; F225-L300 HydrophobicContact CD2-CD2 3.81Å; F225-L300 HydrophobicContact CE1-CD2 4.38Å; F225-L300 HydrophobicContact CE2-CD2 4.24Å; F225-L300 HydrophobicContact CG-CD2 3.66Å
226V97.2Very high95.1Very high5 Ų547.7 Ų47.73%0.0328%0.275CS..Hα-helixtrans-59.2-42.6174.5173.80000111.1A222 K224 L228 L229 A230 L237 F291 L294A222-V226 WeakPolarHBondContact O-CG2 3.2Å; A222-V226 PolarHBondContact O-N 3.17Å; K224-V226 PolarHBondContact O-N 2.95Å; V226-L228 VanDerWaalsContact C-N 3.29Å; V226-L228 PolarHBondContact O-N 3.49Å; V226-L229 PolarHBondContact O-N 3.26Å; V226-A230 HydrophobicContact CG1-CB 4.41Å; V226-A230 WeakPolarHBondContact O-CB 3.5Å; V226-A230 PolarHBondContact O-N 2.66Å; V226-L237 HydrophobicContact CB-CG 4.47Å; V226-L237 HydrophobicContact CG1-CD2 4.34Å; V226-L237 HydrophobicContact CG1-CG 4.27Å; V226-L237 HydrophobicContact CG2-CD1 4.09Å; V226-L237 HydrophobicContact CG2-CG 4.18Å; V226-F291 HydrophobicContact CG2-CB 4.34Å; V226-L294 HydrophobicContact CG2-CD2 3.84Å
227H96.3Very high95.4Very high68 Ų6842 Ų4232%0.31525%0.248SC..Hα-helixtrans-64.8-31.4178.9-170.469.6000113.7T214 C218 S223 K224 F225T214-H227 PolarHBondContact OG1-CD2 3.12Å; C218-H227 VanDerWaalsContact SG-CB 3.58Å; S223-H227 WeakPolarHBondContact O-CB 3.33Å; S223-H227 PolarHBondContact O-N 3.2Å; K224-H227 WeakPolarHBondContact O-CB 3.44Å; K224-H227 PolarHBondContact O-N 3.14Å; K224-H227 VanDerWaalsContact O-N 3.11Å; F225-H227 VanDerWaalsContact C-N 3.31Å; F225-H227 PolarHBondContact O-N 2.87Å
228L97.3Very high95.7Very high9 Ų942.5 Ų42.55%0.04725%0.248CC..Hα-helixtrans-75.5-38.5-179.8-69.9171.5000112.4W186 P189 L190 M210 W211 K224 F225 V226W186-L228 HydrophobicContact CE3-CD1 3.85Å; W186-L228 HydrophobicContact CZ3-CD1 4.04Å; P189-L228 HydrophobicContact CB-CB 4.12Å; P189-L228 HydrophobicContact CB-CD1 4.27Å; L190-L228 HydrophobicContact CD2-CD1 3.89Å; L190-L228 HydrophobicContact CD2-CD2 4.03Å; L190-L228 HydrophobicContact CG-CD1 4.29Å; M210-L228 HydrophobicContact CE-CD2 4.3Å; M210-L228 HydrophobicContact SD-CD2 3.89Å; W211-L228 HydrophobicContact CZ3-CD1 4.33Å; W211-L228 HydrophobicContact CZ3-CD2 4.43Å; K224-L228 VanDerWaalsContact O-CG 3.28Å; K224-L228 WeakPolarHBondContact O-CG 3.12Å; K224-L228 PolarHBondContact O-N 2.88Å; F225-L228 PolarHBondContact O-N 2.73Å; F225-L228 VanDerWaalsContact O-N 3.16Å; V226-L228 VanDerWaalsContact C-N 3.29Å; V226-L228 PolarHBondContact O-N 3.49Å
229L97.3Very high95.8Very high23 Ų2344.7 Ų44.712%0.1226%0.258CS..Hα-helixtrans-92-30.5-176.3-80.272.7000113.1P189 F225 V226 L237 D241 F242 F245P189-L229 HydrophobicContact CB-CD1 3.54Å; P189-L229 HydrophobicContact CG-CD1 3.66Å; F225-L229 HydrophobicContact CD1-CD1 4.16Å; F225-L229 HydrophobicContact CD1-CD2 4.42Å; F225-L229 HydrophobicContact CD2-CD1 4.22Å; F225-L229 HydrophobicContact CE1-CD1 3.96Å; F225-L229 HydrophobicContact CE1-CD2 3.64Å; F225-L229 HydrophobicContact CE1-CG 4.46Å; F225-L229 HydrophobicContact CE2-CD1 4.03Å; F225-L229 HydrophobicContact CG-CD1 4.29Å; F225-L229 HydrophobicContact CZ-CD1 3.9Å; F225-L229 HydrophobicContact CZ-CD2 3.82Å; F225-L229 VanDerWaalsContact O-CD1 3.31Å; F225-L229 WeakPolarHBondContact O-CD1 3.33Å; F225-L229 PolarHBondContact O-N 3.04Å; F225-L229 VanDerWaalsContact O-N 3.16Å; V226-L229 PolarHBondContact O-N 3.26Å; L229-L237 HydrophobicContact CB-CD1 4.31Å; L229-L237 HydrophobicContact CB-CD2 3.49Å; L229-L237 VanDerWaalsContact CB-CD2 3.49Å; L229-L237 HydrophobicContact CD2-CD1 4.32Å; L229-D241 WeakPolarHBondContact CD2-O 3.25Å; L229-F242 HydrophobicContact CD2-CD1 4.31Å; L229-F245 HydrophobicContact CD2-CB 4.33Å
230A96.4Very high96Very high19 Ų1947 Ų4716%0.15727%0.272CS..SBendtrans-64.6141.4-172.100000112.4V226 C234 Y236 L237V226-A230 HydrophobicContact CG1-CB 4.41Å; V226-A230 WeakPolarHBondContact O-CB 3.5Å; V226-A230 PolarHBondContact O-N 2.66Å; A230-C234 HydrophobicContact CB-CB 4.37Å; A230-Y236 WeakPolarHBondContact CB-O 3.38Å; A230-L237 HydrophobicContact CB-CD2 3.86Å
231K94.2Very high96.1Very high83 Ų8345.8 Ų45.836%0.36127%0.265SS..PPolyproline II helixtrans-54.5148.5168.6-66168.5-170.6163.80110.9G233 C234 E238 D241K231-G233 PolarHBondContact O-N 3.34Å; K231-C234 WeakPolarHBondContact O-CB 3.5Å; K231-C234 PolarHBondContact O-N 2.91Å; K231-E238 IonicContact NZ-OE2 3.73Å; K231-E238 PolarHBondContact NZ-OE2 3.24Å; K231-D241 VanDerWaalsContact CE-OD1 3.24Å; K231-D241 WeakPolarHBondContact CE-OD1 3.37Å; K231-D241 WeakPolarHBondContact CG-OD1 3.41Å
232P91.8Very high96.2Very high133 Ų13342 Ų4286%0.86425%0.245SC*.THydrogen-bonded Turntrans-54.1124.9-179.6-26.934.8000112.9C234P232-C234 VanDerWaalsContact C-N 3.35Å
233G89.1Confident96.3Very high89 Ų8945.1 Ų45.192%0.91826%0.26SS*.THydrogen-bonded Turntrans90.1-9.5-179.800000114.8K231K231-G233 PolarHBondContact O-N 3.34Å
234C94.5Very high96.3Very high41 Ų4147.7 Ų47.728%0.27728%0.277SS..  trans-88.8149.3173.8-640000111.4A230 K231 P232 Y236A230-C234 HydrophobicContact CB-CB 4.37Å; K231-C234 WeakPolarHBondContact O-CB 3.5Å; K231-C234 PolarHBondContact O-N 2.91Å; P232-C234 VanDerWaalsContact C-N 3.35Å; C234-Y236 HydrophobicContact CB-CE1 4.29Å; C234-Y236 HydrophobicContact CB-CE2 4.31Å
235N94.2Very high96.4Very high101 Ų10146 Ų4654%0.5427%0.27SS..SBendtrans-120.124.2175.565.8-18000112.1
236Y97.3Very high96.4Very high46 Ų4646 Ų4618%0.1827%0.27CS..EExtended strand (participates in β ladder)trans-146.5165.2-178.357.1-102.3000109.2A230 C234 E238 K288 I289A230-Y236 WeakPolarHBondContact CB-O 3.38Å; C234-Y236 HydrophobicContact CB-CE1 4.29Å; C234-Y236 HydrophobicContact CB-CE2 4.31Å; Y236-E238 HydrophobicContact CD2-CG 4.14Å; Y236-E238 HydrophobicContact CE2-CG 3.84Å; Y236-K288 HydrophobicContact CD1-CB 4.48Å; Y236-K288 HydrophobicContact CD1-CD 4.06Å; Y236-K288 HydrophobicContact CD2-CB 3.72Å; Y236-K288 HydrophobicContact CD2-CD 3.74Å; Y236-K288 HydrophobicContact CD2-CG 3.58Å; Y236-K288 HydrophobicContact CE1-CD 3.88Å; Y236-K288 HydrophobicContact CE2-CB 4.39Å; Y236-K288 HydrophobicContact CE2-CD 3.55Å; Y236-K288 HydrophobicContact CE2-CG 3.76Å; Y236-K288 HydrophobicContact CG-CB 3.78Å; Y236-K288 HydrophobicContact CG-CD 4Å; Y236-K288 HydrophobicContact CG-CG 4.05Å; Y236-K288 PolarHBondContact OH-NZ 3.13Å; Y236-I289 CarbonylContact C-O 3.57Å; Y236-I289 WeakPolarHBondContact CA-O 3.22Å
237L98.4Very high96.3Very high0 Ų048.8 Ų48.80%028%0.282CS..EExtended strand (participates in β ladder)trans-112.5132.4175.6-56.9177.4000110.9F225 V226 L229 A230 D241 F242 K288 I289F225-L237 HydrophobicContact CD1-CD1 4.22Å; F225-L237 HydrophobicContact CE1-CD1 4.32Å; V226-L237 HydrophobicContact CB-CG 4.47Å; V226-L237 HydrophobicContact CG1-CD2 4.34Å; V226-L237 HydrophobicContact CG1-CG 4.27Å; V226-L237 HydrophobicContact CG2-CD1 4.09Å; V226-L237 HydrophobicContact CG2-CG 4.18Å; L229-L237 HydrophobicContact CB-CD1 4.31Å; L229-L237 HydrophobicContact CB-CD2 3.49Å; L229-L237 VanDerWaalsContact CB-CD2 3.49Å; L229-L237 HydrophobicContact CD2-CD1 4.32Å; A230-L237 HydrophobicContact CB-CD2 3.86Å; L237-D241 WeakPolarHBondContact CA-OD2 3.44Å; L237-D241 HydrophobicContact CB-CB 4.45Å; L237-D241 HydrophobicContact CD2-CB 4.16Å; L237-F242 HydrophobicContact CB-CD2 4.44Å; L237-F242 HydrophobicContact CB-CE2 3.59Å; L237-F242 HydrophobicContact CB-CZ 4.14Å; L237-F242 HydrophobicContact CD1-CE1 4.3Å; L237-F242 HydrophobicContact CD1-CE2 3.86Å; L237-F242 HydrophobicContact CD1-CZ 3.57Å; L237-F242 HydrophobicContact CG-CE2 4.36Å; L237-K288 CarbonylContact O-C 3.55Å; L237-K288 WeakPolarHBondContact O-CA 3.43Å; L237-I289 HydrophobicContact CB-CB 4.34Å; L237-I289 PolarHBondContact N-O 3.44Å; L237-I289 PolarHBondContact O-N 3.18Å
238E97.8Very high96.3Very high51 Ų5145.8 Ų45.824%0.23827%0.268CS..  trans-95170.2168.4-67.7173.2163.300110K231 Y236 D240 D241 F242 K288K231-E238 IonicContact NZ-OE2 3.73Å; K231-E238 PolarHBondContact NZ-OE2 3.24Å; Y236-E238 HydrophobicContact CD2-CG 4.14Å; Y236-E238 HydrophobicContact CE2-CG 3.84Å; E238-D240 VanDerWaalsContact C-N 3.32Å; E238-D240 PolarHBondContact O-N 2.81Å; E238-D241 PolarHBondContact N-OD2 3.38Å; E238-D241 WeakPolarHBondContact O-CB 3.46Å; E238-D241 PolarHBondContact O-N 2.86Å; E238-F242 WeakPolarHBondContact O-CD2 3.39Å; E238-K288 HydrophobicContact CG-CG 4.5Å
239Q97.2Very high96.3Very high51 Ų5145.3 Ų45.324%0.23827%0.266CS..G310 helixtrans-57.5-44.5-176.7-69.6-170.47.500112.1D241 F242 I274 Q275 F278Q239-D241 PolarHBondContact O-N 3.45Å; Q239-F242 PolarHBondContact O-N 2.92Å; Q239-F242 VanDerWaalsContact O-N 3.12Å; Q239-I274 HydrophobicContact CB-CG2 3.75Å; Q239-I274 HydrophobicContact CG-CG2 3.89Å; Q239-Q275 VanDerWaalsContact NE2-OE1 3.08Å; Q239-F278 HydrophobicContact CB-CE2 4.23Å; Q239-F278 HydrophobicContact CB-CZ 4.46Å; Q239-F278 HydrophobicContact CG-CD1 4.34Å; Q239-F278 HydrophobicContact CG-CD2 3.81Å; Q239-F278 HydrophobicContact CG-CE1 4.15Å; Q239-F278 HydrophobicContact CG-CE2 3.62Å; Q239-F278 HydrophobicContact CG-CG 4.17Å; Q239-F278 HydrophobicContact CG-CZ 3.8Å
240D97.3Very high96.2Very high99 Ų9944.2 Ų44.253%0.52926%0.26SS..G310 helixtrans-61.2-28.4-179.2-58-18.8000113.5E238 F242 I243E238-D240 VanDerWaalsContact C-N 3.32Å; E238-D240 PolarHBondContact O-N 2.81Å; D240-F242 PolarHBondContact O-N 2.97Å; D240-I243 HydrophobicContact CB-CD1 4.24Å; D240-I243 WeakPolarHBondContact O-CB 2.98Å; D240-I243 PolarHBondContact O-N 3.31Å; D240-I243 VanDerWaalsContact O-N 3.11Å
241D98.2Very high96.1Very high15 Ų1546.5 Ų46.58%0.0827%0.27CS..G310 helixtrans-66.3-21.1-178.6-61.1-30.5000111.6L229 K231 L237 E238 Q239L229-D241 WeakPolarHBondContact CD2-O 3.25Å; K231-D241 VanDerWaalsContact CE-OD1 3.24Å; K231-D241 WeakPolarHBondContact CE-OD1 3.37Å; K231-D241 WeakPolarHBondContact CG-OD1 3.41Å; L237-D241 WeakPolarHBondContact CA-OD2 3.44Å; L237-D241 HydrophobicContact CB-CB 4.45Å; L237-D241 HydrophobicContact CD2-CB 4.16Å; E238-D241 PolarHBondContact N-OD2 3.38Å; E238-D241 WeakPolarHBondContact O-CB 3.46Å; E238-D241 PolarHBondContact O-N 2.86Å; Q239-D241 PolarHBondContact O-N 3.45Å
242F98.5Very high96.1Very high0 Ų045 Ų450%027%0.269CS..G310 helixtrans-86.1-14.8176.6-71.9-95000113.7F225 L229 L237 E238 Q239 D240 F245 M246 I274 I277 F278 I289 F299F225-F242 HydrophobicContact CE1-CE1 4.13Å; L229-F242 HydrophobicContact CD2-CD1 4.31Å; L237-F242 HydrophobicContact CB-CD2 4.44Å; L237-F242 HydrophobicContact CB-CE2 3.59Å; L237-F242 HydrophobicContact CB-CZ 4.14Å; L237-F242 HydrophobicContact CD1-CE1 4.3Å; L237-F242 HydrophobicContact CD1-CE2 3.86Å; L237-F242 HydrophobicContact CD1-CZ 3.57Å; L237-F242 HydrophobicContact CG-CE2 4.36Å; E238-F242 WeakPolarHBondContact O-CD2 3.39Å; Q239-F242 PolarHBondContact O-N 2.92Å; Q239-F242 VanDerWaalsContact O-N 3.12Å; D240-F242 PolarHBondContact O-N 2.97Å; F242-F245 HydrophobicContact CD1-CD1 4.49Å; F242-F245 WeakPolarHBondContact O-CB 3.36Å; F242-F245 PolarHBondContact O-N 3.35Å; F242-M246 PolarHBondContact O-N 3.27Å; F242-I274 HydrophobicContact CB-CD1 3.99Å; F242-I274 HydrophobicContact CB-CG1 3.89Å; F242-I277 HydrophobicContact CD1-CD1 4Å; F242-I277 HydrophobicContact CE1-CD1 4.3Å; F242-I277 HydrophobicContact CE1-CG2 3.98Å; F242-I277 HydrophobicContact CZ-CG2 4.01Å; F242-F278 AromaticContact CD2-CE2 3.89Å; F242-F278 HydrophobicContact CD2-CE2 3.89Å; F242-F278 AromaticContact CE2-CE2 3.75Å; F242-F278 HydrophobicContact CE2-CE2 3.75Å; F242-F278 HydrophobicContact CE2-CZ 4.15Å; F242-I289 HydrophobicContact CE2-CD1 4.05Å; F242-I289 HydrophobicContact CZ-CD1 3.97Å; F242-F299 HydrophobicContact CD1-CZ 4.34Å; F242-F299 AromaticContact CE1-CE1 3.94Å; F242-F299 HydrophobicContact CE1-CE1 3.94Å; F242-F299 AromaticContact CE1-CZ 3.97Å; F242-F299 HydrophobicContact CE1-CZ 3.97Å
243I97.5Very high96.3Very high73 Ų7338.8 Ų38.837%0.37423%0.229SC..Hα-helixtrans-58.3-50.2-175.1-64.8171.8000111.7D240 F245 M246 Q247 I274D240-I243 HydrophobicContact CB-CD1 4.24Å; D240-I243 WeakPolarHBondContact O-CB 2.98Å; D240-I243 PolarHBondContact O-N 3.31Å; D240-I243 VanDerWaalsContact O-N 3.11Å; I243-F245 VanDerWaalsContact C-N 3.3Å; I243-F245 PolarHBondContact O-N 3.19Å; I243-M246 PolarHBondContact O-N 2.99Å; I243-Q247 VanDerWaalsContact O-CB 3.25Å; I243-Q247 WeakPolarHBondContact O-CB 3.18Å; I243-Q247 PolarHBondContact O-N 3.22Å; I243-I274 HydrophobicContact CG1-CD1 3.82Å
244P97.3Very high96.6Very high58 Ų5838.2 Ų38.238%0.37722%0.215SC..Hα-helixtrans-60.8-40.2179.6-23.134.6000112.4M188 D248M188-P244 HydrophobicContact CG-CB 4.28Å; M188-P244 WeakPolarHBondContact CG-O 3.43Å; P244-D248 PolarHBondContact O-N 3.32Å; P244-D248 VanDerWaalsContact O-N 3.15Å
245F98.3Very high96.5Very high3 Ų337.3 Ų37.31%0.01321%0.213CC..Hα-helixtrans-61.3-50.4176.8165.8-103.2000111.3Y185 P189 F225 L229 F242 I243 Q247 D248 V249 F299 V303 L306 F319Y185-F245 WeakPolarHBondContact O-CE2 3.44Å; P189-F245 HydrophobicContact CG-CB 4.42Å; P189-F245 HydrophobicContact CG-CD2 3.93Å; F225-F245 HydrophobicContact CZ-CD2 4.46Å; L229-F245 HydrophobicContact CD2-CB 4.33Å; F242-F245 HydrophobicContact CD1-CD1 4.49Å; F242-F245 WeakPolarHBondContact O-CB 3.36Å; F242-F245 PolarHBondContact O-N 3.35Å; I243-F245 VanDerWaalsContact C-N 3.3Å; I243-F245 PolarHBondContact O-N 3.19Å; F245-Q247 VanDerWaalsContact C-N 3.34Å; F245-Q247 PolarHBondContact O-N 2.88Å; F245-D248 WeakPolarHBondContact O-CB 3.43Å; F245-D248 PolarHBondContact O-N 3.31Å; F245-V249 HydrophobicContact CE1-CG2 4.14Å; F245-V249 HydrophobicContact CE2-CG2 4.03Å; F245-V249 HydrophobicContact CZ-CG2 3.8Å; F245-V249 WeakPolarHBondContact O-CG2 3.23Å; F245-V249 PolarHBondContact O-N 2.6Å; F245-V249 VanDerWaalsContact O-N 3.11Å; F245-F299 AromaticContact CE1-CZ 3.93Å; F245-F299 HydrophobicContact CE1-CZ 3.93Å; F245-F299 HydrophobicContact CZ-CZ 4.5Å; F245-V303 HydrophobicContact CE1-CG2 4.4Å; F245-V303 HydrophobicContact CE2-CG1 4.07Å; F245-V303 HydrophobicContact CZ-CG1 3.99Å; F245-V303 HydrophobicContact CZ-CG2 3.78Å; F245-L306 HydrophobicContact CZ-CD1 4.42Å; F245-F319 HydrophobicContact CE1-CE1 4.41Å; F245-F319 HydrophobicContact CE1-CZ 4.49Å
246M97.9Very high96.6Very high0 Ų032.5 Ų32.50%019%0.188CC..Hα-helixtrans-66.2-37.3-179.7-72.1-50.7-49.500112.7F242 I243 D248 V249 V250 Y269 I270 V273 I274 I277 F319F242-M246 PolarHBondContact O-N 3.27Å; I243-M246 PolarHBondContact O-N 2.99Å; M246-D248 PolarHBondContact O-N 3.27Å; M246-V249 HydrophobicContact CE-CB 4.3Å; M246-V249 HydrophobicContact CE-CG1 4.4Å; M246-V249 WeakPolarHBondContact O-CB 3.38Å; M246-V249 PolarHBondContact O-N 3.19Å; M246-V249 VanDerWaalsContact O-N 3.13Å; M246-V250 PolarHBondContact O-N 2.86Å; M246-Y269 HydrophobicContact CE-CE1 4.21Å; M246-I270 HydrophobicContact CB-CB 4.43Å; M246-I270 HydrophobicContact CB-CD1 4.48Å; M246-I270 HydrophobicContact CB-CG1 4.09Å; M246-I270 HydrophobicContact CB-CG2 3.84Å; M246-I270 HydrophobicContact CG-CG2 4.49Å; M246-V273 HydrophobicContact CE-CB 3.79Å; M246-V273 HydrophobicContact CE-CG1 3.49Å; M246-V273 VanDerWaalsContact CE-CG1 3.49Å; M246-V273 HydrophobicContact CE-CG2 4.03Å; M246-V273 HydrophobicContact SD-CB 4.41Å; M246-V273 HydrophobicContact SD-CG1 3.7Å; M246-I274 HydrophobicContact CG-CD1 4.46Å; M246-I274 HydrophobicContact CG-CG1 4.08Å; M246-I277 HydrophobicContact SD-CD1 4.47Å; M246-F319 HydrophobicContact CE-CD1 4.05Å; M246-F319 HydrophobicContact CE-CE1 4.05Å; M246-F319 HydrophobicContact SD-CD1 4.44Å; M246-F319 HydrophobicContact SD-CE1 3.83Å
247Q95.6Very high96.3Very high63 Ų6332.5 Ų32.529%0.29420%0.197SC..Hα-helixtrans-56.9-41.4173.7-175.261.169.700111.5I243 F245 N251 H266 I270I243-Q247 VanDerWaalsContact O-CB 3.25Å; I243-Q247 WeakPolarHBondContact O-CB 3.18Å; I243-Q247 PolarHBondContact O-N 3.22Å; F245-Q247 VanDerWaalsContact C-N 3.34Å; F245-Q247 PolarHBondContact O-N 2.88Å; Q247-N251 PolarHBondContact NE2-ND2 2.92Å; Q247-N251 PolarHBondContact NE2-OD1 3.37Å; Q247-N251 VanDerWaalsContact O-CB 3.26Å; Q247-N251 WeakPolarHBondContact O-CB 3.47Å; Q247-N251 PolarHBondContact O-N 3.24Å; Q247-N251 PolarHBondContact O-ND2 3.38Å; Q247-N251 VanDerWaalsContact O-ND2 3.16Å; Q247-H266 PolarHBondContact NE2-CE1 3.27Å; Q247-H266 PolarHBondContact NE2-NE2 3.4Å; Q247-I270 HydrophobicContact CB-CD1 4.35Å
248D96.4Very high95.9Very high4 Ų437.7 Ų37.72%0.02122%0.22CC..Hα-helixtrans-68.7-37.4176-170.863.8000113.1K187 M188 P244 F245 M246 N251 S252K187-D248 WeakPolarHBondContact CE-OD2 3.47Å; K187-D248 VanDerWaalsContact CG-OD2 3.24Å; K187-D248 WeakPolarHBondContact CG-OD2 3.32Å; K187-D248 IonicContact NZ-OD1 3.87Å; K187-D248 PolarHBondContact NZ-OD1 3.33Å; K187-D248 IonicContact NZ-OD2 2.97Å; K187-D248 PolarHBondContact NZ-OD2 3.19Å; M188-D248 HydrophobicContact CB-CB 3.46Å; M188-D248 VanDerWaalsContact CB-CB 3.46Å; M188-D248 HydrophobicContact CE-CB 3.75Å; M188-D248 HydrophobicContact CG-CB 3.85Å; P244-D248 PolarHBondContact O-N 3.32Å; P244-D248 VanDerWaalsContact O-N 3.15Å; F245-D248 WeakPolarHBondContact O-CB 3.43Å; F245-D248 PolarHBondContact O-N 3.31Å; M246-D248 PolarHBondContact O-N 3.27Å; D248-N251 PolarHBondContact O-N 2.97Å; D248-S252 WeakPolarHBondContact O-CB 3.31Å; D248-S252 PolarHBondContact O-N 2.87Å; D248-S252 PolarHBondContact O-OG 3.34Å
249V97.1Very high95.5Very high0 Ų035.4 Ų35.40%021%0.209CC..Hα-helixtrans-59.4-53175.1174.40000110.2Y185 F245 M246 N251 S252 H253 L256 L306Y185-V249 HydrophobicContact CD1-CB 4.39Å; Y185-V249 HydrophobicContact CD1-CG2 3.74Å; Y185-V249 HydrophobicContact CE1-CB 4.46Å; Y185-V249 HydrophobicContact CE1-CG1 4.49Å; Y185-V249 HydrophobicContact CE1-CG2 4.28Å; F245-V249 HydrophobicContact CE1-CG2 4.14Å; F245-V249 HydrophobicContact CE2-CG2 4.03Å; F245-V249 HydrophobicContact CZ-CG2 3.8Å; F245-V249 WeakPolarHBondContact O-CG2 3.23Å; F245-V249 PolarHBondContact O-N 2.6Å; F245-V249 VanDerWaalsContact O-N 3.11Å; M246-V249 HydrophobicContact CE-CB 4.3Å; M246-V249 HydrophobicContact CE-CG1 4.4Å; M246-V249 WeakPolarHBondContact O-CB 3.38Å; M246-V249 PolarHBondContact O-N 3.19Å; M246-V249 VanDerWaalsContact O-N 3.13Å; V249-N251 VanDerWaalsContact C-N 3.26Å; V249-N251 PolarHBondContact O-N 3.24Å; V249-S252 PolarHBondContact O-N 3.23Å; V249-S252 VanDerWaalsContact O-N 3.15Å; V249-H253 VanDerWaalsContact O-CB 3.28Å; V249-H253 WeakPolarHBondContact O-CB 3.11Å; V249-H253 PolarHBondContact O-N 3.39Å; V249-L256 HydrophobicContact CG1-CD1 4.07Å; V249-L306 HydrophobicContact CG1-CD1 4.31Å; V249-L306 HydrophobicContact CG1-CD2 4.22Å; V249-L306 HydrophobicContact CG2-CD1 4.04Å
250V95.9Very high94.8Very high0 Ų037.8 Ų37.80%022%0.219CC..Hα-helixtrans-59-40.3176.4178.80000111.1M246 S252 L256 L259 K260 H266 Y269 I270M246-V250 PolarHBondContact O-N 2.86Å; V250-S252 VanDerWaalsContact C-N 3.29Å; V250-S252 PolarHBondContact O-N 3.23Å; V250-L256 HydrophobicContact CG2-CD1 4.33Å; V250-L259 HydrophobicContact CG1-CB 4.28Å; V250-L259 HydrophobicContact CG1-CD2 4.03Å; V250-L259 HydrophobicContact CG1-CG 4.31Å; V250-L259 HydrophobicContact CG2-CD2 4.4Å; V250-K260 WeakPolarHBondContact O-CE 3.43Å; V250-H266 WeakPolarHBondContact CG1-CE1 3.48Å; V250-H266 WeakPolarHBondContact CG1-NE2 3.34Å; V250-Y269 HydrophobicContact CG2-CD1 3.62Å; V250-Y269 HydrophobicContact CG2-CE1 3.72Å; V250-I270 HydrophobicContact CG2-CD1 4.48Å; V250-I270 HydrophobicContact CG2-CG1 4.12Å
251N93.4Very high94.1Very high67 Ų6741.2 Ų41.236%0.35823%0.232SC..Hα-helixtrans-71.6-19.8-178.9-73.1-17.3000114Q247 D248 V249 K260Q247-N251 PolarHBondContact NE2-ND2 2.92Å; Q247-N251 PolarHBondContact NE2-OD1 3.37Å; Q247-N251 VanDerWaalsContact O-CB 3.26Å; Q247-N251 WeakPolarHBondContact O-CB 3.47Å; Q247-N251 PolarHBondContact O-N 3.24Å; Q247-N251 PolarHBondContact O-ND2 3.38Å; Q247-N251 VanDerWaalsContact O-ND2 3.16Å; D248-N251 PolarHBondContact O-N 2.97Å; V249-N251 VanDerWaalsContact C-N 3.26Å; V249-N251 PolarHBondContact O-N 3.24Å; N251-K260 WeakPolarHBondContact O-CE 3.48Å; N251-K260 PolarHBondContact O-NZ 2.84Å
252S94.6Very high93.4Very high50 Ų5041.6 Ų41.635%0.3524%0.236SC..Hα-helixtrans-121.2-28.6-168-48.50000114.5K187 D248 V249 V250K187-S252 PolarHBondContact NZ-OG 2.92Å; D248-S252 WeakPolarHBondContact O-CB 3.31Å; D248-S252 PolarHBondContact O-N 2.87Å; D248-S252 PolarHBondContact O-OG 3.34Å; V249-S252 PolarHBondContact O-N 3.23Å; V249-S252 VanDerWaalsContact O-N 3.15Å; V250-S252 VanDerWaalsContact C-N 3.29Å; V250-S252 PolarHBondContact O-N 3.23Å
253H96.6Very high92.5Very high4 Ų446 Ų462%0.01927%0.265CS..  trans-74.3131.1-177.5-162.7-80.7000111.6Y185 V249 G255 L256 A257 L306 E309 E310Y185-H253 HydrophobicContact CE1-CB 4.43Å; Y185-H253 AromaticContact CZ-CD2 3.89Å; Y185-H253 VanDerWaalsContact OH-CA 3.24Å; Y185-H253 WeakPolarHBondContact OH-CA 3.14Å; Y185-H253 WeakPolarHBondContact OH-CB 3.38Å; Y185-H253 PolarHBondContact OH-CD2 3.04Å; Y185-H253 VanDerWaalsContact OH-CD2 3.25Å; V249-H253 VanDerWaalsContact O-CB 3.28Å; V249-H253 WeakPolarHBondContact O-CB 3.11Å; V249-H253 PolarHBondContact O-N 3.39Å; H253-G255 PolarHBondContact ND1-N 3.11Å; H253-G255 VanDerWaalsContact ND1-N 3.16Å; H253-G255 PolarHBondContact O-N 3.36Å; H253-L256 HydrophobicContact CB-CB 4.44Å; H253-L256 HydrophobicContact CB-CD1 4.25Å; H253-L256 HydrophobicContact CB-CG 4.46Å; H253-L256 PolarHBondContact O-N 3.28Å; H253-L256 VanDerWaalsContact O-N 3.13Å; H253-A257 PolarHBondContact O-N 3.02Å; H253-L306 PolarHBondContact CD2-O 3.25Å; H253-L306 VanDerWaalsContact CD2-O 3.23Å; H253-L306 PolarHBondContact NE2-O 2.97Å; H253-E309 PolarHBondContact CE1-O 3.39Å; H253-E309 PolarHBondContact NE2-O 3.36Å; H253-E310 PolarHBondContact CE1-O 3.1Å; H253-E310 VanDerWaalsContact CE1-O 3.29Å
254A94.3Very high91.6Very high76 Ų7647.6 Ų47.663%0.62828%0.275SS*.G310 helixtrans-61.6-44.8-176.900000111.9L256 A257A254-L256 PolarHBondContact O-N 3.06Å; A254-A257 VanDerWaalsContact O-CB 3.31Å; A254-A257 WeakPolarHBondContact O-CB 3.46Å; A254-A257 PolarHBondContact O-N 2.95Å; A254-A257 VanDerWaalsContact O-N 3.08Å
255G93.7Very high91.1Very high23 Ų2347.6 Ų47.624%0.23727%0.269CS..G310 helixtrans-64-4.1175.900000116H253 F258 E310H253-G255 PolarHBondContact ND1-N 3.11Å; H253-G255 VanDerWaalsContact ND1-N 3.16Å; H253-G255 PolarHBondContact O-N 3.36Å; G255-F258 VanDerWaalsContact O-CE1 3.23Å; G255-F258 WeakPolarHBondContact O-CE1 3.1Å; G255-E310 PolarHBondContact N-O 3.49Å
256L95Very high90.7Very high0 Ų048.5 Ų48.50%027%0.273CS..G310 helixtrans-118.67.6175.3-64.7173.5000112.5V249 V250 H253 A254 F258 L259 Y269 V312 Y321V249-L256 HydrophobicContact CG1-CD1 4.07Å; V250-L256 HydrophobicContact CG2-CD1 4.33Å; H253-L256 HydrophobicContact CB-CB 4.44Å; H253-L256 HydrophobicContact CB-CD1 4.25Å; H253-L256 HydrophobicContact CB-CG 4.46Å; H253-L256 PolarHBondContact O-N 3.28Å; H253-L256 VanDerWaalsContact O-N 3.13Å; A254-L256 PolarHBondContact O-N 3.06Å; L256-F258 PolarHBondContact O-N 3.05Å; L256-L259 WeakPolarHBondContact O-CB 3.39Å; L256-L259 PolarHBondContact O-N 3.21Å; L256-Y269 HydrophobicContact CD1-CE1 3.78Å; L256-Y269 HydrophobicContact CD2-CE1 4.24Å; L256-Y269 HydrophobicContact CD2-CE2 4.24Å; L256-V312 HydrophobicContact CD1-CG2 4.36Å; L256-V312 HydrophobicContact CD2-CG1 3.9Å; L256-V312 HydrophobicContact CG-CB 4.49Å; L256-V312 HydrophobicContact CG-CG1 4.27Å; L256-V312 HydrophobicContact CG-CG2 4.35Å; L256-Y321 HydrophobicContact CD2-CD2 4.34Å
257A91.6Very high90.4Very high46 Ų4651.9 Ų51.938%0.3830%0.296SS..G310 helixtrans-58.9-33.7-17400000113.2H253 A254 L259 K260H253-A257 PolarHBondContact O-N 3.02Å; A254-A257 VanDerWaalsContact O-CB 3.31Å; A254-A257 WeakPolarHBondContact O-CB 3.46Å; A254-A257 PolarHBondContact O-N 2.95Å; A254-A257 VanDerWaalsContact O-N 3.08Å; A257-L259 VanDerWaalsContact C-N 3.3Å; A257-L259 PolarHBondContact O-N 3.42Å; A257-K260 WeakPolarHBondContact O-CB 3.45Å; A257-K260 WeakPolarHBondContact O-CG 3.4Å; A257-K260 PolarHBondContact O-N 2.66Å
258F90.5Very high90.4Very high109 Ų10951 Ų5148%0.47829%0.29SS..G310 helixtrans-67-28.417867.3-93.5000113G255 L256 K260 E261 Y321G255-F258 VanDerWaalsContact O-CE1 3.23Å; G255-F258 WeakPolarHBondContact O-CE1 3.1Å; L256-F258 PolarHBondContact O-N 3.05Å; F258-K260 PolarHBondContact O-N 3.25Å; F258-E261 PolarHBondContact O-N 3.28Å; F258-Y321 HydrophobicContact CE2-CD1 4.49Å; F258-Y321 HydrophobicContact CE2-CD2 4.17Å; F258-Y321 AromaticContact CE2-CE1 3.97Å; F258-Y321 HydrophobicContact CE2-CE1 3.97Å; F258-Y321 AromaticContact CE2-CE2 3.6Å; F258-Y321 HydrophobicContact CE2-CE2 3.6Å; F258-Y321 AromaticContact CE2-CZ 3.49Å; F258-Y321 VanDerWaalsContact CE2-CZ 3.49Å; F258-Y321 AromaticContact CZ-CD1 3.85Å; F258-Y321 HydrophobicContact CZ-CD1 3.85Å; F258-Y321 AromaticContact CZ-CD2 3.76Å; F258-Y321 HydrophobicContact CZ-CD2 3.76Å; F258-Y321 AromaticContact CZ-CE1 3.77Å; F258-Y321 HydrophobicContact CZ-CE1 3.77Å; F258-Y321 AromaticContact CZ-CE2 3.66Å; F258-Y321 HydrophobicContact CZ-CE2 3.66Å; F258-Y321 AromaticContact CZ-CG 3.85Å; F258-Y321 HydrophobicContact CZ-CG 3.85Å; F258-Y321 AromaticContact CZ-CZ 3.68Å
259L89.8Confident90.5Very high2 Ų250.8 Ų50.81%0.0129%0.289CS..G310 helixtrans-70.9-17.8-177.4-16762000112.6V250 L256 A257 E261 A262 F265 H266 Y269 Y321V250-L259 HydrophobicContact CG1-CB 4.28Å; V250-L259 HydrophobicContact CG1-CD2 4.03Å; V250-L259 HydrophobicContact CG1-CG 4.31Å; V250-L259 HydrophobicContact CG2-CD2 4.4Å; L256-L259 WeakPolarHBondContact O-CB 3.39Å; L256-L259 PolarHBondContact O-N 3.21Å; A257-L259 VanDerWaalsContact C-N 3.3Å; A257-L259 PolarHBondContact O-N 3.42Å; L259-E261 PolarHBondContact O-N 2.88Å; L259-A262 PolarHBondContact O-N 3.2Å; L259-F265 HydrophobicContact CD1-CB 3.57Å; L259-H266 HydrophobicContact CG-CB 4.47Å; L259-Y269 HydrophobicContact CD2-CD1 3.78Å; L259-Y269 HydrophobicContact CD2-CD2 4.46Å; L259-Y269 HydrophobicContact CD2-CG 3.71Å; L259-Y321 HydrophobicContact CD1-CE2 4.13Å
260K82.3Confident90.5Very high101 Ų10151.3 Ų51.344%0.43929%0.292SS..G310 helixtrans-63.3-28.4178.4-62.6179-173.1-175.40113V250 N251 A257 F258 A262V250-K260 WeakPolarHBondContact O-CE 3.43Å; N251-K260 WeakPolarHBondContact O-CE 3.48Å; N251-K260 PolarHBondContact O-NZ 2.84Å; A257-K260 WeakPolarHBondContact O-CB 3.45Å; A257-K260 WeakPolarHBondContact O-CG 3.4Å; A257-K260 PolarHBondContact O-N 2.66Å; F258-K260 PolarHBondContact O-N 3.25Å; K260-A262 VanDerWaalsContact C-N 3.33Å
261E81Confident90.6Very high172 Ų17253.2 Ų53.280%0.80430%0.304SS*.G310 helixtrans-87.4-5-177-58.2-171.7169.300112.4F258 L259F258-E261 PolarHBondContact O-N 3.28Å; L259-E261 PolarHBondContact O-N 2.88Å
262A84.1Confident90.8Very high22 Ų2250 Ų5018%0.18229%0.287CS..  trans-123.683.8-17600000111.8L259 K260 D264 F265 H266L259-A262 PolarHBondContact O-N 3.2Å; K260-A262 VanDerWaalsContact C-N 3.33Å; A262-D264 VanDerWaalsContact C-N 3.33Å; A262-D264 PolarHBondContact O-N 2.82Å; A262-F265 HydrophobicContact CB-CB 4.2Å; A262-F265 HydrophobicContact CB-CD2 4.16Å; A262-F265 PolarHBondContact O-N 3.13Å; A262-H266 WeakPolarHBondContact O-CB 3.47Å; A262-H266 PolarHBondContact O-N 2.81Å
263P79Confident91Very high93 Ų9347.7 Ų47.760%0.60427%0.271SS*.Hα-helixtrans-62.5-32.9-171.423.6-33.5000114.4H266 S267P263-H266 VanDerWaalsContact O-CB 3.31Å; P263-H266 WeakPolarHBondContact O-CB 3.16Å; P263-H266 PolarHBondContact O-N 3.49Å; P263-S267 PolarHBondContact O-N 3.3Å
264D79.6Confident91.1Very high107 Ų10747.9 Ų47.957%0.57227%0.271SS*.Hα-helixtrans-68.4-44.8179-64.3-33000111.4A262 H266 R268A262-D264 VanDerWaalsContact C-N 3.33Å; A262-D264 PolarHBondContact O-N 2.82Å; D264-H266 VanDerWaalsContact C-N 3.3Å; D264-H266 PolarHBondContact O-N 3.29Å; D264-R268 WeakPolarHBondContact O-CG 3.3Å; D264-R268 PolarHBondContact O-N 3.05Å
265F86Confident91.3Very high57 Ų5744.6 Ų44.625%0.2524%0.243CC..Hα-helixtrans-67.7-32.2174.8-72.7-92.5000112.1L259 A262 R268 Y269 F324 Y328L259-F265 HydrophobicContact CD1-CB 3.57Å; A262-F265 HydrophobicContact CB-CB 4.2Å; A262-F265 HydrophobicContact CB-CD2 4.16Å; A262-F265 PolarHBondContact O-N 3.13Å; F265-R268 PolarHBondContact O-N 3.01Å; F265-Y269 WeakPolarHBondContact O-CB 3.45Å; F265-Y269 PolarHBondContact O-N 2.98Å; F265-F324 HydrophobicContact CD1-CE1 4.41Å; F265-F324 HydrophobicContact CD1-CZ 4.2Å; F265-Y328 HydrophobicContact CD1-CD1 4.36Å; F265-Y328 HydrophobicContact CD1-CE1 4.17Å; F265-Y328 AromaticContact CE1-CD1 3.79Å; F265-Y328 HydrophobicContact CE1-CD1 3.79Å; F265-Y328 AromaticContact CE1-CE1 3.42Å; F265-Y328 HydrophobicContact CE1-CE1 3.42Å; F265-Y328 VanDerWaalsContact CE1-CE1 3.42Å; F265-Y328 AromaticContact CZ-CE1 3.9Å; F265-Y328 HydrophobicContact CZ-CE1 3.9Å
266H89.6Confident91.6Very high22 Ų2244.1 Ų44.110%0.10223%0.234CC..Hα-helixtrans-57.5-54.9178.1-167.3141.2000111.9Q247 V250 L259 A262 P263 D264 R268 Y269 I270Q247-H266 PolarHBondContact NE2-CE1 3.27Å; Q247-H266 PolarHBondContact NE2-NE2 3.4Å; V250-H266 WeakPolarHBondContact CG1-CE1 3.48Å; V250-H266 WeakPolarHBondContact CG1-NE2 3.34Å; L259-H266 HydrophobicContact CG-CB 4.47Å; A262-H266 WeakPolarHBondContact O-CB 3.47Å; A262-H266 PolarHBondContact O-N 2.81Å; P263-H266 VanDerWaalsContact O-CB 3.31Å; P263-H266 WeakPolarHBondContact O-CB 3.16Å; P263-H266 PolarHBondContact O-N 3.49Å; D264-H266 VanDerWaalsContact C-N 3.3Å; D264-H266 PolarHBondContact O-N 3.29Å; H266-R268 VanDerWaalsContact C-N 3.25Å; H266-R268 PolarHBondContact O-N 3.12Å; H266-Y269 PolarHBondContact O-N 2.97Å; H266-I270 WeakPolarHBondContact O-CG1 3.46Å; H266-I270 PolarHBondContact O-N 3.18Å; H266-I270 VanDerWaalsContact O-N 3.13Å
267S92.4Very high91.7Very high71 Ų7144.1 Ų44.150%0.49723%0.234SC..Hα-helixtrans-62.9-36.1-179.1-175.40000111.7P263 T271P263-S267 PolarHBondContact O-N 3.3Å; S267-T271 WeakPolarHBondContact O-CB 3.44Å; S267-T271 PolarHBondContact O-N 3.17Å; S267-T271 PolarHBondContact O-OG1 2.85Å
268R95.4Very high92.1Very high44 Ų4441.9 Ų41.917%0.16622%0.216CC..Hα-helixtrans-67.7-45.6178.7-64.3-73.8159.2179.2-8.8112.1D264 F265 H266 I270 T271 T272 F324 Y328 L340 Y382D264-R268 WeakPolarHBondContact O-CG 3.3Å; D264-R268 PolarHBondContact O-N 3.05Å; F265-R268 PolarHBondContact O-N 3.01Å; H266-R268 VanDerWaalsContact C-N 3.25Å; H266-R268 PolarHBondContact O-N 3.12Å; R268-I270 PolarHBondContact O-N 2.99Å; R268-T271 WeakPolarHBondContact O-CB 3.31Å; R268-T271 PolarHBondContact O-N 3.23Å; R268-T272 PolarHBondContact O-N 3.48Å; R268-T272 PolarHBondContact O-OG1 3.28Å; R268-T272 VanDerWaalsContact O-OG1 3.06Å; R268-F324 HydrophobicContact CB-CE2 3.7Å; R268-F324 HydrophobicContact CB-CZ 4.01Å; R268-Y328 HydrophobicContact CB-CD2 4.2Å; R268-Y328 HydrophobicContact CB-CE2 4.37Å; R268-Y328 HydrophobicContact CG-CD2 4.19Å; R268-Y328 HydrophobicContact CG-CE2 3.92Å; R268-L340 VanDerWaalsContact CZ-CD2 3.44Å; R268-L340 VanDerWaalsContact NH2-CG 3.26Å; R268-Y382 HydrophobicContact CB-CE1 4.27Å; R268-Y382 VanDerWaalsContact NH1-CG 3.28Å
269Y97.9Very high92.5Very high0 Ų036.9 Ų36.90%019%0.194CC..Hα-helixtrans-58.4-47.9175174-98.9000111.6M246 V250 L256 L259 F265 H266 T271 T272 V273 F319 Y321 F324M246-Y269 HydrophobicContact CE-CE1 4.21Å; V250-Y269 HydrophobicContact CG2-CD1 3.62Å; V250-Y269 HydrophobicContact CG2-CE1 3.72Å; L256-Y269 HydrophobicContact CD1-CE1 3.78Å; L256-Y269 HydrophobicContact CD2-CE1 4.24Å; L256-Y269 HydrophobicContact CD2-CE2 4.24Å; L259-Y269 HydrophobicContact CD2-CD1 3.78Å; L259-Y269 HydrophobicContact CD2-CD2 4.46Å; L259-Y269 HydrophobicContact CD2-CG 3.71Å; F265-Y269 WeakPolarHBondContact O-CB 3.45Å; F265-Y269 PolarHBondContact O-N 2.98Å; H266-Y269 PolarHBondContact O-N 2.97Å; Y269-T271 VanDerWaalsContact C-N 3.31Å; Y269-T271 PolarHBondContact O-N 3.46Å; Y269-T272 PolarHBondContact O-N 3.02Å; Y269-V273 HydrophobicContact CD1-CG2 4.34Å; Y269-V273 HydrophobicContact CD2-CG2 4.23Å; Y269-V273 HydrophobicContact CE1-CG2 3.89Å; Y269-V273 HydrophobicContact CE2-CG2 3.77Å; Y269-V273 HydrophobicContact CG-CG2 4.49Å; Y269-V273 WeakPolarHBondContact O-CG2 3.21Å; Y269-V273 PolarHBondContact O-N 3.12Å; Y269-F319 WeakPolarHBondContact CE2-O 3.17Å; Y269-F319 PolarHBondContact OH-O 3.48Å; Y269-Y321 HydrophobicContact CD2-CD2 4.19Å; Y269-Y321 HydrophobicContact CE2-CD2 4.46Å; Y269-F324 HydrophobicContact CD2-CB 3.79Å; Y269-F324 AromaticContact CD2-CD1 3.73Å; Y269-F324 HydrophobicContact CD2-CD1 3.73Å; Y269-F324 HydrophobicContact CD2-CD2 4.39Å; Y269-F324 HydrophobicContact CD2-CE1 4.45Å; Y269-F324 AromaticContact CD2-CG 3.68Å; Y269-F324 HydrophobicContact CD2-CG 3.68Å; Y269-F324 HydrophobicContact CE2-CB 4.33Å; Y269-F324 HydrophobicContact CG-CD1 4.41Å; Y269-F324 HydrophobicContact CG-CG 4.42Å; Y269-F324 VanDerWaalsContact N-CE2 3.34Å
270I97.8Very high92.8Very high11 Ų1139.7 Ų39.76%0.05621%0.209CC..Hα-helixtrans-57.5-47.3176.8-69-179.9000110.6M246 Q247 V250 H266 R268 T272 V273 I274M246-I270 HydrophobicContact CB-CB 4.43Å; M246-I270 HydrophobicContact CB-CD1 4.48Å; M246-I270 HydrophobicContact CB-CG1 4.09Å; M246-I270 HydrophobicContact CB-CG2 3.84Å; M246-I270 HydrophobicContact CG-CG2 4.49Å; Q247-I270 HydrophobicContact CB-CD1 4.35Å; V250-I270 HydrophobicContact CG2-CD1 4.48Å; V250-I270 HydrophobicContact CG2-CG1 4.12Å; H266-I270 WeakPolarHBondContact O-CG1 3.46Å; H266-I270 PolarHBondContact O-N 3.18Å; H266-I270 VanDerWaalsContact O-N 3.13Å; R268-I270 PolarHBondContact O-N 2.99Å; I270-T272 VanDerWaalsContact C-N 3.34Å; I270-T272 PolarHBondContact O-N 3.45Å; I270-V273 PolarHBondContact O-N 3.42Å; I270-I274 HydrophobicContact CG2-CD1 3.68Å; I270-I274 HydrophobicContact CG2-CG1 4.43Å; I270-I274 WeakPolarHBondContact O-CB 3.36Å; I270-I274 VanDerWaalsContact O-CG1 3.28Å; I270-I274 WeakPolarHBondContact O-CG1 3.42Å; I270-I274 PolarHBondContact O-N 3.08Å
271T97.8Very high93.6Very high40 Ų4035 Ų3525%0.24519%0.188CC..Hα-helixtrans-57.7-47.7178.5-60.40000111S267 R268 Y269 I274 Q275 Y382 A383S267-T271 WeakPolarHBondContact O-CB 3.44Å; S267-T271 PolarHBondContact O-N 3.17Å; S267-T271 PolarHBondContact O-OG1 2.85Å; R268-T271 WeakPolarHBondContact O-CB 3.31Å; R268-T271 PolarHBondContact O-N 3.23Å; Y269-T271 VanDerWaalsContact C-N 3.31Å; Y269-T271 PolarHBondContact O-N 3.46Å; T271-I274 PolarHBondContact O-N 2.81Å; T271-Q275 HydrophobicContact CG2-CG 4.49Å; T271-Q275 WeakPolarHBondContact O-CG 3.33Å; T271-Q275 PolarHBondContact O-N 3.21Å; T271-Y382 HydrophobicContact CG2-CD1 4.12Å; T271-Y382 HydrophobicContact CG2-CE1 4.48Å; T271-A383 HydrophobicContact CG2-CB 4.24Å
272T98.6Very high94.4Very high1 Ų126.8 Ų26.81%0.00615%0.15CC..Hα-helixtrans-63-47.6-179.3-61.20000111.9R268 Y269 I270 I274 Q275 R276 F324 I327 Y382 V386R268-T272 PolarHBondContact O-N 3.48Å; R268-T272 PolarHBondContact O-OG1 3.28Å; R268-T272 VanDerWaalsContact O-OG1 3.06Å; Y269-T272 PolarHBondContact O-N 3.02Å; I270-T272 VanDerWaalsContact C-N 3.34Å; I270-T272 PolarHBondContact O-N 3.45Å; T272-I274 VanDerWaalsContact C-N 3.31Å; T272-I274 PolarHBondContact O-N 3.34Å; T272-Q275 PolarHBondContact O-N 3.1Å; T272-R276 HydrophobicContact CG2-CG 4.48Å; T272-R276 VanDerWaalsContact O-CG 3.27Å; T272-R276 WeakPolarHBondContact O-CG 3.5Å; T272-R276 PolarHBondContact O-N 2.91Å; T272-F324 HydrophobicContact CG2-CB 4.23Å; T272-F324 HydrophobicContact CG2-CD2 4.23Å; T272-I327 HydrophobicContact CG2-CD1 3.73Å; T272-Y382 WeakPolarHBondContact OG1-CE1 3.28Å; T272-Y382 PolarHBondContact OG1-OH 2.67Å; T272-V386 HydrophobicContact CG2-CG1 4.26Å; T272-V386 HydrophobicContact CG2-CG2 4.46Å
273V98.8Very high95Very high1 Ų129.1 Ų29.11%0.00615%0.154CC..Hα-helixtrans-60.8-42.2177.21780000110.8M246 Y269 I270 Q275 R276 I277 F319M246-V273 HydrophobicContact CE-CB 3.79Å; M246-V273 HydrophobicContact CE-CG1 3.49Å; M246-V273 VanDerWaalsContact CE-CG1 3.49Å; M246-V273 HydrophobicContact CE-CG2 4.03Å; M246-V273 HydrophobicContact SD-CB 4.41Å; M246-V273 HydrophobicContact SD-CG1 3.7Å; Y269-V273 HydrophobicContact CD1-CG2 4.34Å; Y269-V273 HydrophobicContact CD2-CG2 4.23Å; Y269-V273 HydrophobicContact CE1-CG2 3.89Å; Y269-V273 HydrophobicContact CE2-CG2 3.77Å; Y269-V273 HydrophobicContact CG-CG2 4.49Å; Y269-V273 WeakPolarHBondContact O-CG2 3.21Å; Y269-V273 PolarHBondContact O-N 3.12Å; I270-V273 PolarHBondContact O-N 3.42Å; V273-Q275 PolarHBondContact O-N 3.27Å; V273-R276 PolarHBondContact O-N 2.67Å; V273-I277 HydrophobicContact CG1-CD1 3.99Å; V273-I277 HydrophobicContact CG1-CG1 4.35Å; V273-I277 VanDerWaalsContact O-CG1 3.25Å; V273-I277 WeakPolarHBondContact O-CG1 3.18Å; V273-I277 PolarHBondContact O-N 3.19Å; V273-F319 HydrophobicContact CG1-CD1 3.76Å; V273-F319 HydrophobicContact CG1-CE1 3.9Å
274I98.8Very high95.9Very high7 Ų727.3 Ų27.34%0.03614%0.144CC..Hα-helixtrans-62.3-43.2176.1-68.3171.8000111.2Q239 F242 I243 M246 I270 T271 T272 R276 I277 F278Q239-I274 HydrophobicContact CB-CG2 3.75Å; Q239-I274 HydrophobicContact CG-CG2 3.89Å; F242-I274 HydrophobicContact CB-CD1 3.99Å; F242-I274 HydrophobicContact CB-CG1 3.89Å; I243-I274 HydrophobicContact CG1-CD1 3.82Å; M246-I274 HydrophobicContact CG-CD1 4.46Å; M246-I274 HydrophobicContact CG-CG1 4.08Å; I270-I274 HydrophobicContact CG2-CD1 3.68Å; I270-I274 HydrophobicContact CG2-CG1 4.43Å; I270-I274 WeakPolarHBondContact O-CB 3.36Å; I270-I274 VanDerWaalsContact O-CG1 3.28Å; I270-I274 WeakPolarHBondContact O-CG1 3.42Å; I270-I274 PolarHBondContact O-N 3.08Å; T271-I274 PolarHBondContact O-N 2.81Å; T272-I274 VanDerWaalsContact C-N 3.31Å; T272-I274 PolarHBondContact O-N 3.34Å; I274-R276 VanDerWaalsContact C-N 3.32Å; I274-R276 PolarHBondContact O-N 3.39Å; I274-I277 WeakPolarHBondContact O-CB 3.45Å; I274-I277 PolarHBondContact O-N 3.33Å; I274-F278 HydrophobicContact CG2-CD2 4.11Å; I274-F278 HydrophobicContact CG2-CE2 4.24Å; I274-F278 WeakPolarHBondContact O-CD2 3.23Å; I274-F278 PolarHBondContact O-N 3.03Å
275Q98.6Very high96.7Very high8 Ų824 Ų244%0.03712%0.123CC..Hα-helixtrans-60.5-43.3175.4-65.5-35.9-53.800111.4Q239 T271 T272 V273 I277 F278 Y279 A383 V386Q239-Q275 VanDerWaalsContact NE2-OE1 3.08Å; T271-Q275 HydrophobicContact CG2-CG 4.49Å; T271-Q275 WeakPolarHBondContact O-CG 3.33Å; T271-Q275 PolarHBondContact O-N 3.21Å; T272-Q275 PolarHBondContact O-N 3.1Å; V273-Q275 PolarHBondContact O-N 3.27Å; Q275-I277 PolarHBondContact O-N 3.26Å; Q275-F278 PolarHBondContact O-N 2.77Å; Q275-Y279 VanDerWaalsContact O-CB 3.31Å; Q275-Y279 WeakPolarHBondContact O-CB 3.45Å; Q275-Y279 PolarHBondContact O-N 3Å; Q275-A383 HydrophobicContact CG-CB 3.99Å; Q275-V386 HydrophobicContact CB-CB 4.04Å; Q275-V386 HydrophobicContact CB-CG1 3.73Å; Q275-V386 HydrophobicContact CG-CB 4.18Å; Q275-V386 HydrophobicContact CG-CG1 4.4Å; Q275-V386 HydrophobicContact CG-CG2 4.42Å
276R98.6Very high97.2Very high12 Ų1225.2 Ų25.25%0.04514%0.136CC..Hα-helixtrans-64.1-38.5177.1-65.8-179.774.9-174.72.4112.7T272 V273 I274 F278 Y279 N280 T316 E317 H323 V386 I390T272-R276 HydrophobicContact CG2-CG 4.48Å; T272-R276 VanDerWaalsContact O-CG 3.27Å; T272-R276 WeakPolarHBondContact O-CG 3.5Å; T272-R276 PolarHBondContact O-N 2.91Å; V273-R276 PolarHBondContact O-N 2.67Å; I274-R276 VanDerWaalsContact C-N 3.32Å; I274-R276 PolarHBondContact O-N 3.39Å; R276-F278 PolarHBondContact O-N 3.12Å; R276-Y279 PolarHBondContact O-N 2.89Å; R276-N280 WeakPolarHBondContact O-CB 3.3Å; R276-N280 PolarHBondContact O-N 2.64Å; R276-N280 PolarHBondContact O-ND2 3.12Å; R276-T316 PolarHBondContact NH2-O 2.71Å; R276-E317 PolarHBondContact NH2-O 3.49Å; R276-H323 PolarHBondContact NH1-ND1 2.73Å; R276-H323 PolarHBondContact NH2-ND1 2.76Å; R276-V386 HydrophobicContact CG-CG1 4.5Å; R276-I390 HydrophobicContact CG-CD1 3.79Å
277I98.8Very high97.5Very high0 Ų024.8 Ų24.80%014%0.137CC..Hα-helixtrans-58-49.4171.4-68.4166.1000110.1F242 M246 V273 I274 Q275 N280 V281 I289 F299 Y318F242-I277 HydrophobicContact CD1-CD1 4Å; F242-I277 HydrophobicContact CE1-CD1 4.3Å; F242-I277 HydrophobicContact CE1-CG2 3.98Å; F242-I277 HydrophobicContact CZ-CG2 4.01Å; M246-I277 HydrophobicContact SD-CD1 4.47Å; V273-I277 HydrophobicContact CG1-CD1 3.99Å; V273-I277 HydrophobicContact CG1-CG1 4.35Å; V273-I277 VanDerWaalsContact O-CG1 3.25Å; V273-I277 WeakPolarHBondContact O-CG1 3.18Å; V273-I277 PolarHBondContact O-N 3.19Å; I274-I277 WeakPolarHBondContact O-CB 3.45Å; I274-I277 PolarHBondContact O-N 3.33Å; Q275-I277 PolarHBondContact O-N 3.26Å; I277-N280 PolarHBondContact O-N 2.83Å; I277-V281 HydrophobicContact CG2-CG2 4.27Å; I277-V281 WeakPolarHBondContact O-CB 3.37Å; I277-V281 WeakPolarHBondContact O-CG2 3.47Å; I277-V281 PolarHBondContact O-N 3.21Å; I277-I289 HydrophobicContact CG2-CD1 3.79Å; I277-F299 HydrophobicContact CD1-CD2 4.28Å; I277-F299 HydrophobicContact CD1-CE2 3.38Å; I277-F299 HydrophobicContact CD1-CZ 3.75Å; I277-F299 HydrophobicContact CG1-CD2 3.9Å; I277-F299 HydrophobicContact CG1-CE2 3.49Å; I277-F299 VanDerWaalsContact CG1-CE2 3.49Å; I277-F299 HydrophobicContact CG1-CZ 4.27Å; I277-F299 HydrophobicContact CG2-CD2 4.41Å; I277-F299 HydrophobicContact CG2-CE2 4.37Å; I277-Y318 HydrophobicContact CB-CD1 4.43Å; I277-Y318 HydrophobicContact CG1-CD1 3.79Å; I277-Y318 HydrophobicContact CG1-CE1 4.4Å
278F98.6Very high97.7Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-69.1-36.1-179.8-85.4-102000112.8Q239 F242 I274 Q275 R276 N280 N282 G287 I289 W387Q239-F278 HydrophobicContact CB-CE2 4.23Å; Q239-F278 HydrophobicContact CB-CZ 4.46Å; Q239-F278 HydrophobicContact CG-CD1 4.34Å; Q239-F278 HydrophobicContact CG-CD2 3.81Å; Q239-F278 HydrophobicContact CG-CE1 4.15Å; Q239-F278 HydrophobicContact CG-CE2 3.62Å; Q239-F278 HydrophobicContact CG-CG 4.17Å; Q239-F278 HydrophobicContact CG-CZ 3.8Å; F242-F278 AromaticContact CD2-CE2 3.89Å; F242-F278 HydrophobicContact CD2-CE2 3.89Å; F242-F278 AromaticContact CE2-CE2 3.75Å; F242-F278 HydrophobicContact CE2-CE2 3.75Å; F242-F278 HydrophobicContact CE2-CZ 4.15Å; I274-F278 HydrophobicContact CG2-CD2 4.11Å; I274-F278 HydrophobicContact CG2-CE2 4.24Å; I274-F278 WeakPolarHBondContact O-CD2 3.23Å; I274-F278 PolarHBondContact O-N 3.03Å; Q275-F278 PolarHBondContact O-N 2.77Å; R276-F278 PolarHBondContact O-N 3.12Å; F278-N280 VanDerWaalsContact C-N 3.34Å; F278-N280 PolarHBondContact O-N 2.76Å; F278-N282 HydrophobicContact CB-CB 4.45Å; F278-N282 HydrophobicContact CD1-CB 3.78Å; F278-N282 HydrophobicContact CE1-CB 4.46Å; F278-N282 HydrophobicContact CG-CB 4.44Å; F278-N282 WeakPolarHBondContact O-CB 3.38Å; F278-N282 PolarHBondContact O-N 3.15Å; F278-G287 WeakPolarHBondContact CE1-O 3.48Å; F278-I289 HydrophobicContact CD1-CD1 4.1Å; F278-I289 HydrophobicContact CD1-CG1 4.11Å; F278-I289 HydrophobicContact CD2-CD1 3.87Å; F278-I289 HydrophobicContact CE1-CD1 3.97Å; F278-I289 HydrophobicContact CE1-CG1 3.82Å; F278-I289 HydrophobicContact CE2-CD1 3.73Å; F278-I289 HydrophobicContact CE2-CG1 4.44Å; F278-I289 HydrophobicContact CG-CD1 4.06Å; F278-I289 HydrophobicContact CZ-CD1 3.78Å; F278-I289 HydrophobicContact CZ-CG1 4Å; F278-W387 HydrophobicContact CB-CZ2 3.94Å
279Y98.4Very high97.9Very high4 Ų423 Ų232%0.01612%0.122CC..Hα-helixtrans-59.6-44176.5-170.1-88.9000111.9Q275 R276 W387 I390 S391 T397 T399 S400Q275-Y279 VanDerWaalsContact O-CB 3.31Å; Q275-Y279 WeakPolarHBondContact O-CB 3.45Å; Q275-Y279 PolarHBondContact O-N 3Å; R276-Y279 PolarHBondContact O-N 2.89Å; Y279-W387 AromaticContact CD2-CD2 3.79Å; Y279-W387 HydrophobicContact CD2-CD2 3.79Å; Y279-W387 AromaticContact CD2-CE3 3.48Å; Y279-W387 HydrophobicContact CD2-CE3 3.48Å; Y279-W387 VanDerWaalsContact CD2-CE3 3.48Å; Y279-W387 HydrophobicContact CD2-CG 4.35Å; Y279-W387 HydrophobicContact CD2-CH2 4.36Å; Y279-W387 AromaticContact CD2-CZ3 3.79Å; Y279-W387 HydrophobicContact CD2-CZ3 3.79Å; Y279-W387 AromaticContact CE2-CE3 3.98Å; Y279-W387 HydrophobicContact CE2-CE3 3.98Å; Y279-W387 HydrophobicContact CE2-CZ3 4.42Å; Y279-I390 HydrophobicContact CD1-CG2 4.02Å; Y279-I390 HydrophobicContact CE1-CG2 3.51Å; Y279-I390 HydrophobicContact CE2-CB 4.4Å; Y279-I390 HydrophobicContact CE2-CG2 4.17Å; Y279-S391 WeakPolarHBondContact CE2-OG 3.13Å; Y279-S391 PolarHBondContact OH-OG 3.46Å; Y279-T397 PolarHBondContact OH-OG1 3.09Å; Y279-T399 HydrophobicContact CD1-CG2 4.06Å; Y279-T399 HydrophobicContact CD2-CG2 3.66Å; Y279-T399 HydrophobicContact CE1-CG2 3.87Å; Y279-T399 HydrophobicContact CE2-CG2 3.42Å; Y279-T399 VanDerWaalsContact CE2-CG2 3.42Å; Y279-T399 HydrophobicContact CG-CG2 3.96Å; Y279-T399 PolarHBondContact O-OG1 2.86Å; Y279-S400 WeakPolarHBondContact OH-CB 3.43Å; Y279-S400 PolarHBondContact OH-N 3.26Å
280N97.9Very high97.8Very high60 Ų6025.1 Ų25.132%0.32114%0.135SC..Hα-helixtrans-87-33.6-177.4-71-25.7000113.5R276 I277 F278 R283 E317 Y318R276-N280 WeakPolarHBondContact O-CB 3.3Å; R276-N280 PolarHBondContact O-N 2.64Å; R276-N280 PolarHBondContact O-ND2 3.12Å; I277-N280 PolarHBondContact O-N 2.83Å; F278-N280 VanDerWaalsContact C-N 3.34Å; F278-N280 PolarHBondContact O-N 2.76Å; N280-R283 WeakPolarHBondContact O-CD 3.24Å; N280-E317 PolarHBondContact ND2-O 2.92Å; N280-Y318 HydrophobicContact CB-CE1 3.76Å
281V98.5Very high97.7Very high2 Ų226.5 Ų26.51%0.01214%0.141CC..Hα-helixtrans-99.4-42.9-171.7-174.20000112.9I277 R283 I289 E293 L294 F299 Y318I277-V281 HydrophobicContact CG2-CG2 4.27Å; I277-V281 WeakPolarHBondContact O-CB 3.37Å; I277-V281 WeakPolarHBondContact O-CG2 3.47Å; I277-V281 PolarHBondContact O-N 3.21Å; V281-R283 PolarHBondContact O-N 3.35Å; V281-I289 HydrophobicContact CB-CD1 4.04Å; V281-I289 HydrophobicContact CB-CG1 4.49Å; V281-I289 HydrophobicContact CG1-CD1 4.13Å; V281-I289 HydrophobicContact CG1-CG1 4.27Å; V281-I289 HydrophobicContact CG1-CG2 3.83Å; V281-E293 HydrophobicContact CG1-CB 4.25Å; V281-E293 WeakPolarHBondContact O-CB 3.47Å; V281-L294 HydrophobicContact CG1-CD1 4.27Å; V281-F299 HydrophobicContact CG2-CB 4.04Å; V281-Y318 HydrophobicContact CG2-CE1 4.15Å
282N97.9Very high97.6Very high1 Ų126.9 Ų26.91%0.00515%0.145CC..  trans-83.962.1-172.8-172.6-133.6000112.5F278 S284 W285 T286 G287 K288 I289 E293 R370F278-N282 HydrophobicContact CB-CB 4.45Å; F278-N282 HydrophobicContact CD1-CB 3.78Å; F278-N282 HydrophobicContact CE1-CB 4.46Å; F278-N282 HydrophobicContact CG-CB 4.44Å; F278-N282 WeakPolarHBondContact O-CB 3.38Å; F278-N282 PolarHBondContact O-N 3.15Å; N282-S284 PolarHBondContact ND2-OG 3Å; N282-S284 PolarHBondContact O-N 3.38Å; N282-W285 PolarHBondContact O-N 3.19Å; N282-T286 PolarHBondContact ND2-OG1 3.29Å; N282-T286 PolarHBondContact OD1-N 3.14Å; N282-G287 WeakPolarHBondContact OD1-CA 3.37Å; N282-G287 PolarHBondContact OD1-N 2.86Å; N282-K288 PolarHBondContact ND2-O 3.07Å; N282-I289 HydrophobicContact CB-CD1 4.49Å; N282-I289 HydrophobicContact CB-CG1 3.76Å; N282-E293 PolarHBondContact ND2-OE1 2.9Å; N282-E293 VanDerWaalsContact ND2-OE1 3.13Å; N282-E293 PolarHBondContact ND2-OE2 3.47Å; N282-R370 PolarHBondContact OD1-NH2 3.26Å
283R97Very high97.5Very high70 Ų7027.9 Ų27.926%0.26415%0.149SC..THydrogen-bonded Turntrans-61.4-15.2-176.6-53.6-56.2-63.3106.915.2114N280 V281 W285 E293 D398 T399 E402N280-R283 WeakPolarHBondContact O-CD 3.24Å; V281-R283 PolarHBondContact O-N 3.35Å; R283-W285 VanDerWaalsContact C-N 3.33Å; R283-E293 PolarHBondContact N-OE1 3.01Å; R283-D398 VanDerWaalsContact NH2-C 3.26Å; R283-D398 PolarHBondContact NH2-O 3Å; R283-D398 IonicContact NH2-OD2 2.89Å; R283-T399 PolarHBondContact NH1-OG1 2.96Å; R283-E402 IonicContact CZ-OE1 3Å; R283-E402 IonicContact CZ-OE2 2.94Å; R283-E402 VanDerWaalsContact CZ-OE2 3.27Å; R283-E402 IonicContact NH1-OE2 3.95Å; R283-E402 PolarHBondContact NH1-OE2 3.44Å; R283-E402 IonicContact NH2-OE1 2.87Å; R283-E402 PolarHBondContact NH2-OE1 3.03Å; R283-E402 IonicContact NH2-OE2 2.83Å; R283-E402 PolarHBondContact NH2-OE2 3.02Å
284S96.7Very high97.5Very high56 Ų5628 Ų2839%0.39215%0.15SC..THydrogen-bonded Turntrans-80-8.1173.8630000114.8N282 T286 E293N282-S284 PolarHBondContact ND2-OG 3Å; N282-S284 PolarHBondContact O-N 3.38Å; S284-T286 PolarHBondContact O-N 2.97Å; S284-T286 WeakPolarHBondContact OG-CG2 3.32Å; S284-T286 PolarHBondContact OG-OG1 3.47Å; S284-E293 VanDerWaalsContact CB-OE1 3.24Å; S284-E293 WeakPolarHBondContact CB-OE1 3.42Å; S284-E293 PolarHBondContact N-OE1 3.32Å; S284-E293 PolarHBondContact OG-OE1 3.04Å
285W96.3Very high97.3Very high36 Ų3631.8 Ų31.814%0.13616%0.164CC..  trans614.1-174.2-66.569.1000115.4N282 R283 G287 R370 W387 T399 E402 Y403N282-W285 PolarHBondContact O-N 3.19Å; R283-W285 VanDerWaalsContact C-N 3.33Å; W285-G287 VanDerWaalsContact C-N 3.29Å; W285-G287 PolarHBondContact O-N 2.8Å; W285-R370 VanDerWaalsContact C-NH2 3.3Å; W285-R370 PolarHBondContact O-NH2 3.18Å; W285-W387 HydrophobicContact CE3-CZ3 4.24Å; W285-W387 HydrophobicContact CH2-CE3 4.12Å; W285-W387 AromaticContact CH2-CZ3 3.86Å; W285-W387 HydrophobicContact CH2-CZ3 3.86Å; W285-W387 HydrophobicContact CZ2-CZ3 4.22Å; W285-W387 HydrophobicContact CZ3-CE3 4.15Å; W285-W387 AromaticContact CZ3-CZ3 3.87Å; W285-W387 HydrophobicContact CZ3-CZ3 3.87Å; W285-T399 HydrophobicContact CZ2-CG2 3.98Å; W285-E402 HydrophobicContact CZ2-CB 3.62Å; W285-E402 PolarHBondContact NE1-OE2 2.85Å; W285-Y403 HydrophobicContact CH2-CD2 4.06Å; W285-Y403 HydrophobicContact CH2-CG 4.48Å
286T96.3Very high97.3Very high83 Ų8339.8 Ų39.851%0.50920%0.198SC..SBendtrans-68.8-18.4-17253.30000115.7N282 S284 K288N282-T286 PolarHBondContact ND2-OG1 3.29Å; N282-T286 PolarHBondContact OD1-N 3.14Å; S284-T286 PolarHBondContact O-N 2.97Å; S284-T286 WeakPolarHBondContact OG-CG2 3.32Å; S284-T286 PolarHBondContact OG-OG1 3.47Å; T286-K288 VanDerWaalsContact C-N 3.27Å; T286-K288 PolarHBondContact OG1-N 3.24Å; T286-K288 PolarHBondContact OG1-O 3.3Å
287G96.3Very high97.2Very high13 Ų1340 Ų4013%0.13420%0.202CC..SBendtrans80.511.6-172.200000114F278 N282 W285 R370F278-G287 WeakPolarHBondContact CE1-O 3.48Å; N282-G287 WeakPolarHBondContact OD1-CA 3.37Å; N282-G287 PolarHBondContact OD1-N 2.86Å; W285-G287 VanDerWaalsContact C-N 3.29Å; W285-G287 PolarHBondContact O-N 2.8Å; G287-R370 VanDerWaalsContact CA-NH1 3.27Å
288K97.8Very high97.2Very high77 Ų7742.8 Ų42.834%0.33522%0.217SC..  trans-134.596.9-173.7-65.7-176.2176.9-168.90109Y236 L237 E238 N282 T286 T290Y236-K288 HydrophobicContact CD1-CB 4.48Å; Y236-K288 HydrophobicContact CD1-CD 4.06Å; Y236-K288 HydrophobicContact CD2-CB 3.72Å; Y236-K288 HydrophobicContact CD2-CD 3.74Å; Y236-K288 HydrophobicContact CD2-CG 3.58Å; Y236-K288 HydrophobicContact CE1-CD 3.88Å; Y236-K288 HydrophobicContact CE2-CB 4.39Å; Y236-K288 HydrophobicContact CE2-CD 3.55Å; Y236-K288 HydrophobicContact CE2-CG 3.76Å; Y236-K288 HydrophobicContact CG-CB 3.78Å; Y236-K288 HydrophobicContact CG-CD 4Å; Y236-K288 HydrophobicContact CG-CG 4.05Å; Y236-K288 PolarHBondContact OH-NZ 3.13Å; L237-K288 CarbonylContact O-C 3.55Å; L237-K288 WeakPolarHBondContact O-CA 3.43Å; E238-K288 HydrophobicContact CG-CG 4.5Å; N282-K288 PolarHBondContact ND2-O 3.07Å; T286-K288 VanDerWaalsContact C-N 3.27Å; T286-K288 PolarHBondContact OG1-N 3.24Å; T286-K288 PolarHBondContact OG1-O 3.3Å; K288-T290 PolarHBondContact O-N 2.9Å
289I98.4Very high97.2Very high0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-69.4114.4176.5-70.8172.1000108.6Y236 L237 F242 I277 F278 V281 N282 L294Y236-I289 CarbonylContact C-O 3.57Å; Y236-I289 WeakPolarHBondContact CA-O 3.22Å; L237-I289 HydrophobicContact CB-CB 4.34Å; L237-I289 PolarHBondContact N-O 3.44Å; L237-I289 PolarHBondContact O-N 3.18Å; F242-I289 HydrophobicContact CE2-CD1 4.05Å; F242-I289 HydrophobicContact CZ-CD1 3.97Å; I277-I289 HydrophobicContact CG2-CD1 3.79Å; F278-I289 HydrophobicContact CD1-CD1 4.1Å; F278-I289 HydrophobicContact CD1-CG1 4.11Å; F278-I289 HydrophobicContact CD2-CD1 3.87Å; F278-I289 HydrophobicContact CE1-CD1 3.97Å; F278-I289 HydrophobicContact CE1-CG1 3.82Å; F278-I289 HydrophobicContact CE2-CD1 3.73Å; F278-I289 HydrophobicContact CE2-CG1 4.44Å; F278-I289 HydrophobicContact CG-CD1 4.06Å; F278-I289 HydrophobicContact CZ-CD1 3.78Å; F278-I289 HydrophobicContact CZ-CG1 4Å; V281-I289 HydrophobicContact CB-CD1 4.04Å; V281-I289 HydrophobicContact CB-CG1 4.49Å; V281-I289 HydrophobicContact CG1-CD1 4.13Å; V281-I289 HydrophobicContact CG1-CG1 4.27Å; V281-I289 HydrophobicContact CG1-CG2 3.83Å; N282-I289 HydrophobicContact CB-CD1 4.49Å; N282-I289 HydrophobicContact CB-CG1 3.76Å; I289-L294 HydrophobicContact CG2-CB 4.28Å
290T97.1Very high97.2Very high46 Ų4643.7 Ų43.728%0.28222%0.222SC..EExtended strand (participates in β ladder)trans-87162175.865.40000111.4K288 S292 E293 L294K288-T290 PolarHBondContact O-N 2.9Å; T290-S292 PolarHBondContact O-N 3.36Å; T290-S292 VanDerWaalsContact O-N 3.1Å; T290-S292 PolarHBondContact OG1-N 3.1Å; T290-E293 PolarHBondContact N-OE2 2.82Å; T290-E293 PolarHBondContact O-N 2.86Å; T290-E293 VanDerWaalsContact O-N 3.16Å; T290-E293 PolarHBondContact OG1-N 3.25Å; T290-E293 PolarHBondContact OG1-OE2 3.06Å; T290-L294 PolarHBondContact O-N 3.37Å
291F94.5Very high97.2Very high40 Ų4046 Ų4618%0.17523%0.231CC..Hα-helixtrans-56.3-26.9169.353-106.9000112.6P139 V226 R295P139-F291 HydrophobicContact CB-CZ 4.05Å; P139-F291 WeakPolarHBondContact O-CD2 3.4Å; P139-F291 WeakPolarHBondContact O-CE2 3.47Å; V226-F291 HydrophobicContact CG2-CB 4.34Å; F291-R295 WeakPolarHBondContact O-CB 3.44Å; F291-R295 WeakPolarHBondContact O-CG 3.48Å; F291-R295 PolarHBondContact O-N 3.02Å
292S95.6Very high97.2Very high47 Ų4746.6 Ų46.633%0.32923%0.234SC..Hα-helixtrans-76.8-35-179.6-1760000112.2T290 K296T290-S292 PolarHBondContact O-N 3.36Å; T290-S292 VanDerWaalsContact O-N 3.1Å; T290-S292 PolarHBondContact OG1-N 3.1Å; S292-K296 WeakPolarHBondContact O-CG 3.21Å; S292-K296 PolarHBondContact O-N 3.11Å
293E97.5Very high97.2Very high22 Ų2246.5 Ų46.510%0.10323%0.233CC..Hα-helixtrans-70.7-44.7174.3-76.4169.1133.200109.6V281 N282 R283 S284 T290 R295 K296 S297V281-E293 HydrophobicContact CG1-CB 4.25Å; V281-E293 WeakPolarHBondContact O-CB 3.47Å; N282-E293 PolarHBondContact ND2-OE1 2.9Å; N282-E293 VanDerWaalsContact ND2-OE1 3.13Å; N282-E293 PolarHBondContact ND2-OE2 3.47Å; R283-E293 PolarHBondContact N-OE1 3.01Å; S284-E293 VanDerWaalsContact CB-OE1 3.24Å; S284-E293 WeakPolarHBondContact CB-OE1 3.42Å; S284-E293 PolarHBondContact N-OE1 3.32Å; S284-E293 PolarHBondContact OG-OE1 3.04Å; T290-E293 PolarHBondContact N-OE2 2.82Å; T290-E293 PolarHBondContact O-N 2.86Å; T290-E293 VanDerWaalsContact O-N 3.16Å; T290-E293 PolarHBondContact OG1-N 3.25Å; T290-E293 PolarHBondContact OG1-OE2 3.06Å; E293-R295 VanDerWaalsContact C-N 3.29Å; E293-R295 PolarHBondContact O-N 3.5Å; E293-K296 PolarHBondContact O-N 2.86Å; E293-S297 PolarHBondContact O-N 2.85Å; E293-S297 VanDerWaalsContact O-N 3.12Å
294L97.3Very high97.2Very high3 Ų344.4 Ų44.42%0.01623%0.231CC..Hα-helixtrans-61.3-35.1177.3-165.363.8000113.1A222 F225 V226 V281 I289 T290 K296 S297 F299 L300A222-L294 HydrophobicContact CB-CB 4.24Å; A222-L294 HydrophobicContact CB-CD2 4.16Å; A222-L294 HydrophobicContact CB-CG 4.25Å; F225-L294 HydrophobicContact CB-CD2 4.25Å; F225-L294 HydrophobicContact CD1-CD2 3.95Å; F225-L294 HydrophobicContact CG-CD2 4.49Å; V226-L294 HydrophobicContact CG2-CD2 3.84Å; V281-L294 HydrophobicContact CG1-CD1 4.27Å; I289-L294 HydrophobicContact CG2-CB 4.28Å; T290-L294 PolarHBondContact O-N 3.37Å; L294-K296 VanDerWaalsContact C-N 3.28Å; L294-K296 PolarHBondContact O-N 3.28Å; L294-S297 PolarHBondContact O-OG 2.8Å; L294-F299 HydrophobicContact CD1-CB 4.14Å; L294-F299 HydrophobicContact CD1-CD1 3.76Å; L294-F299 HydrophobicContact CD1-CG 4.34Å; L294-L300 HydrophobicContact CD1-CG 4.35Å; L294-L300 HydrophobicContact CD2-CD1 4.11Å; L294-L300 HydrophobicContact CD2-CD2 4.35Å; L294-L300 HydrophobicContact CD2-CG 4.28Å; L294-L300 HydrophobicContact CG-CD1 4.21Å; L294-L300 HydrophobicContact CG-CG 4.18Å
295R96Very high97.3Very high87 Ų8744.6 Ų44.633%0.32823%0.227SC..THydrogen-bonded Turntrans-66.9-26.7173.5-79.6176.2-165.8127.410114P139 D220 A222 F291 E293P139-R295 PolarHBondContact O-NH1 3.42Å; P139-R295 PolarHBondContact O-NH2 3.16Å; D220-R295 IonicContact OD1-CZ 3.92Å; D220-R295 IonicContact OD1-NE 3.9Å; D220-R295 IonicContact OD1-NH2 2.68Å; D220-R295 PolarHBondContact OD1-NH2 3.04Å; D220-R295 VanDerWaalsContact OD1-NH2 3.13Å; D220-R295 IonicContact OD2-CZ 2.61Å; D220-R295 IonicContact OD2-NE 2.78Å; D220-R295 PolarHBondContact OD2-NE 3.17Å; D220-R295 IonicContact OD2-NH2 2.74Å; D220-R295 PolarHBondContact OD2-NH2 3.39Å; A222-R295 HydrophobicContact CB-CB 4.49Å; A222-R295 HydrophobicContact CB-CG 3.47Å; A222-R295 VanDerWaalsContact CB-CG 3.47Å; F291-R295 WeakPolarHBondContact O-CB 3.44Å; F291-R295 WeakPolarHBondContact O-CG 3.48Å; F291-R295 PolarHBondContact O-N 3.02Å; E293-R295 VanDerWaalsContact C-N 3.29Å; E293-R295 PolarHBondContact O-N 3.5Å
296K97Very high97.4Very high176 Ų17643 Ų4377%0.76522%0.222SC*.THydrogen-bonded Turntrans-93.4-11.4-176.7-71.2175.8-179.3-179.90112.3S292 E293 L294S292-K296 WeakPolarHBondContact O-CG 3.21Å; S292-K296 PolarHBondContact O-N 3.11Å; E293-K296 PolarHBondContact O-N 2.86Å; L294-K296 VanDerWaalsContact C-N 3.28Å; L294-K296 PolarHBondContact O-N 3.28Å
297S97.8Very high97.4Very high18 Ų1842.3 Ų42.313%0.12621%0.213CC..SBendtrans-93.9174.8173740000111.6E293 L294 F299E293-S297 PolarHBondContact O-N 2.85Å; E293-S297 VanDerWaalsContact O-N 3.12Å; L294-S297 PolarHBondContact O-OG 2.8Å; S297-F299 PolarHBondContact OG-N 3.43Å
298N97.6Very high97.4Very high58 Ų5847.8 Ų47.831%0.3124%0.235SC..SBendtrans-103.513.2174.455.64.7000112.7L300 Q301 N302 E317 Y318N298-L300 PolarHBondContact O-N 3.49Å; N298-Q301 WeakPolarHBondContact O-CB 3.33Å; N298-Q301 PolarHBondContact O-N 3.46Å; N298-Q301 PolarHBondContact O-OE1 3.44Å; N298-N302 PolarHBondContact O-N 3.05Å; N298-N302 VanDerWaalsContact O-N 3.1Å; N298-N302 PolarHBondContact O-ND2 3.19Å; N298-E317 PolarHBondContact ND2-OE1 3.38Å; N298-E317 PolarHBondContact ND2-OE2 3.1Å; N298-E317 PolarHBondContact OD1-OE2 3.21Å; N298-E317 VanDerWaalsContact OD1-OE2 3.12Å; N298-Y318 WeakPolarHBondContact OD1-CE2 3.48Å; N298-Y318 PolarHBondContact OD1-OH 3.15Å
299F98.6Very high97.3Very high0 Ų047.8 Ų47.80%024%0.236CC..Hα-helixtrans-61-46.3-174.9175.4-103.9000112.4F225 F242 F245 I277 V281 L294 S297 Q301 N302 V303 Y318 F319F225-F299 AromaticContact CE1-CE1 3.84Å; F225-F299 HydrophobicContact CE1-CE1 3.84Å; F225-F299 AromaticContact CZ-CE1 3.95Å; F225-F299 HydrophobicContact CZ-CE1 3.95Å; F242-F299 HydrophobicContact CD1-CZ 4.34Å; F242-F299 AromaticContact CE1-CE1 3.94Å; F242-F299 HydrophobicContact CE1-CE1 3.94Å; F242-F299 AromaticContact CE1-CZ 3.97Å; F242-F299 HydrophobicContact CE1-CZ 3.97Å; F245-F299 AromaticContact CE1-CZ 3.93Å; F245-F299 HydrophobicContact CE1-CZ 3.93Å; F245-F299 HydrophobicContact CZ-CZ 4.5Å; I277-F299 HydrophobicContact CD1-CD2 4.28Å; I277-F299 HydrophobicContact CD1-CE2 3.38Å; I277-F299 HydrophobicContact CD1-CZ 3.75Å; I277-F299 HydrophobicContact CG1-CD2 3.9Å; I277-F299 HydrophobicContact CG1-CE2 3.49Å; I277-F299 VanDerWaalsContact CG1-CE2 3.49Å; I277-F299 HydrophobicContact CG1-CZ 4.27Å; I277-F299 HydrophobicContact CG2-CD2 4.41Å; I277-F299 HydrophobicContact CG2-CE2 4.37Å; V281-F299 HydrophobicContact CG2-CB 4.04Å; L294-F299 HydrophobicContact CD1-CB 4.14Å; L294-F299 HydrophobicContact CD1-CD1 3.76Å; L294-F299 HydrophobicContact CD1-CG 4.34Å; S297-F299 PolarHBondContact OG-N 3.43Å; F299-Q301 VanDerWaalsContact C-N 3.26Å; F299-Q301 PolarHBondContact O-N 2.97Å; F299-N302 WeakPolarHBondContact O-CB 3.29Å; F299-N302 PolarHBondContact O-N 2.86Å; F299-N302 VanDerWaalsContact O-N 3.14Å; F299-V303 HydrophobicContact CD1-CG2 4.05Å; F299-V303 HydrophobicContact CD2-CG2 4.44Å; F299-V303 HydrophobicContact CE1-CG2 3.6Å; F299-V303 HydrophobicContact CE2-CG2 3.99Å; F299-V303 HydrophobicContact CG-CG2 4.48Å; F299-V303 HydrophobicContact CZ-CG2 3.57Å; F299-V303 WeakPolarHBondContact O-CG2 3.47Å; F299-V303 PolarHBondContact O-N 2.92Å; F299-Y318 HydrophobicContact CB-CE1 4.48Å; F299-Y318 HydrophobicContact CB-CE2 4.39Å; F299-Y318 HydrophobicContact CD2-CD1 4.02Å; F299-Y318 HydrophobicContact CD2-CD2 4.3Å; F299-Y318 HydrophobicContact CD2-CE1 4.04Å; F299-Y318 HydrophobicContact CD2-CE2 4.36Å; F299-Y318 HydrophobicContact CD2-CG 4.15Å; F299-F319 HydrophobicContact CE2-CE1 4.45Å; F299-F319 AromaticContact CE2-CZ 3.82Å; F299-F319 HydrophobicContact CE2-CZ 3.82Å; F299-F319 HydrophobicContact CZ-CZ 4.42Å
300L98.4Very high97.1Very high22 Ų2255.8 Ų55.812%0.11527%0.273CS..Hα-helixtrans-67.8-28.1-178.6-66.9-177000113W186 D221 A222 F225 L294 N298 V303 A304W186-L300 HydrophobicContact CZ2-CD2 4.16Å; D221-L300 HydrophobicContact CB-CD1 4.08Å; A222-L300 HydrophobicContact CB-CD1 4.25Å; F225-L300 HydrophobicContact CB-CD1 4.45Å; F225-L300 HydrophobicContact CB-CD2 4.03Å; F225-L300 HydrophobicContact CD1-CD2 3.97Å; F225-L300 HydrophobicContact CD2-CD2 3.81Å; F225-L300 HydrophobicContact CE1-CD2 4.38Å; F225-L300 HydrophobicContact CE2-CD2 4.24Å; F225-L300 HydrophobicContact CG-CD2 3.66Å; L294-L300 HydrophobicContact CD1-CG 4.35Å; L294-L300 HydrophobicContact CD2-CD1 4.11Å; L294-L300 HydrophobicContact CD2-CD2 4.35Å; L294-L300 HydrophobicContact CD2-CG 4.28Å; L294-L300 HydrophobicContact CG-CD1 4.21Å; L294-L300 HydrophobicContact CG-CG 4.18Å; N298-L300 PolarHBondContact O-N 3.49Å; L300-V303 PolarHBondContact O-N 3.24Å; L300-A304 PolarHBondContact O-N 2.98Å; L300-A304 VanDerWaalsContact O-N 3.11Å
301Q98.1Very high97Very high110 Ų11056.6 Ų56.651%0.51428%0.276SS..Hα-helixtrans-65.8-46.4172.3-65.279.1-10.200109.7N298 F299 V303 A304 L305N298-Q301 WeakPolarHBondContact O-CB 3.33Å; N298-Q301 PolarHBondContact O-N 3.46Å; N298-Q301 PolarHBondContact O-OE1 3.44Å; F299-Q301 VanDerWaalsContact C-N 3.26Å; F299-Q301 PolarHBondContact O-N 2.97Å; Q301-V303 PolarHBondContact O-N 3.31Å; Q301-A304 WeakPolarHBondContact O-CB 3.27Å; Q301-A304 PolarHBondContact O-N 3.09Å; Q301-A304 VanDerWaalsContact O-N 3.1Å; Q301-L305 WeakPolarHBondContact O-CG 3.37Å; Q301-L305 PolarHBondContact O-N 2.87Å; Q301-L305 VanDerWaalsContact O-N 3.1Å
302N98.4Very high97.1Very high13 Ų1354.8 Ų54.87%0.0727%0.268CS..Hα-helixtrans-62.9-39.5174.4-78.7-94.2000112.5N298 F299 A304 L305 L306 E317 Y318 F319N298-N302 PolarHBondContact O-N 3.05Å; N298-N302 VanDerWaalsContact O-N 3.1Å; N298-N302 PolarHBondContact O-ND2 3.19Å; F299-N302 WeakPolarHBondContact O-CB 3.29Å; F299-N302 PolarHBondContact O-N 2.86Å; F299-N302 VanDerWaalsContact O-N 3.14Å; N302-A304 PolarHBondContact O-N 3.31Å; N302-L305 PolarHBondContact O-N 3.47Å; N302-L306 PolarHBondContact O-N 3.49Å; N302-E317 PolarHBondContact ND2-OE2 3.39Å; N302-Y318 HydrophobicContact CB-CD2 3.94Å; N302-Y318 HydrophobicContact CB-CE2 4.3Å; N302-F319 HydrophobicContact CB-CD2 4.45Å; N302-F319 HydrophobicContact CB-CE2 3.94Å
303V98.5Very high97.2Very high0 Ų053.7 Ų53.70%026%0.258CS..Hα-helixtrans-59.8-34.1173.6173.70000111.7F245 F299 L300 Q301 F319F245-V303 HydrophobicContact CE1-CG2 4.4Å; F245-V303 HydrophobicContact CE2-CG1 4.07Å; F245-V303 HydrophobicContact CZ-CG1 3.99Å; F245-V303 HydrophobicContact CZ-CG2 3.78Å; F299-V303 HydrophobicContact CD1-CG2 4.05Å; F299-V303 HydrophobicContact CD2-CG2 4.44Å; F299-V303 HydrophobicContact CE1-CG2 3.6Å; F299-V303 HydrophobicContact CE2-CG2 3.99Å; F299-V303 HydrophobicContact CG-CG2 4.48Å; F299-V303 HydrophobicContact CZ-CG2 3.57Å; F299-V303 WeakPolarHBondContact O-CG2 3.47Å; F299-V303 PolarHBondContact O-N 2.92Å; L300-V303 PolarHBondContact O-N 3.24Å; Q301-V303 PolarHBondContact O-N 3.31Å; V303-F319 HydrophobicContact CG2-CZ 4.11Å
304A97.9Very high97.1Very high26 Ų2658.3 Ų58.322%0.21528%0.28CS..Hα-helixtrans-76.1-22.8175.700000113.7P183 L300 Q301 N302 E307 Q308P183-A304 HydrophobicContact CB-CB 4.12Å; P183-A304 HydrophobicContact CG-CB 3.83Å; L300-A304 PolarHBondContact O-N 2.98Å; L300-A304 VanDerWaalsContact O-N 3.11Å; Q301-A304 WeakPolarHBondContact O-CB 3.27Å; Q301-A304 PolarHBondContact O-N 3.09Å; Q301-A304 VanDerWaalsContact O-N 3.1Å; N302-A304 PolarHBondContact O-N 3.31Å; A304-E307 WeakPolarHBondContact O-CG 3.5Å; A304-Q308 PolarHBondContact O-NE2 3.22Å; A304-Q308 VanDerWaalsContact O-NE2 3.09Å
305L98.1Very high97.1Very high60 Ų6058.4 Ų58.431%0.31428%0.281SS..Hα-helixtrans-80.2-22.8175.8-68.2172.6000113Q301 N302 E307 Q308 E309 L315Q301-L305 WeakPolarHBondContact O-CG 3.37Å; Q301-L305 PolarHBondContact O-N 2.87Å; Q301-L305 VanDerWaalsContact O-N 3.1Å; N302-L305 PolarHBondContact O-N 3.47Å; L305-E307 PolarHBondContact O-N 2.88Å; L305-Q308 WeakPolarHBondContact O-CA 3.32Å; L305-Q308 PolarHBondContact O-N 3.39Å; L305-E309 HydrophobicContact CB-CG 4.49Å; L305-E309 PolarHBondContact O-N 3.1Å; L305-L315 HydrophobicContact CB-CD2 3.71Å; L305-L315 HydrophobicContact CD1-CD2 4.17Å
306L97.8Very high97.1Very high3 Ų356.2 Ų56.22%0.01628%0.277CS..THydrogen-bonded Turntrans-53.8-25.7176.4-77.4169000114.5Y185 F245 V249 H253 N302 L315 F319Y185-L306 HydrophobicContact CD1-CD1 4.41Å; Y185-L306 HydrophobicContact CD2-CB 3.41Å; Y185-L306 VanDerWaalsContact CD2-CB 3.41Å; Y185-L306 HydrophobicContact CD2-CD1 4.25Å; Y185-L306 HydrophobicContact CD2-CG 4.48Å; Y185-L306 VanDerWaalsContact CE2-C 3.45Å; Y185-L306 HydrophobicContact CE2-CB 3.5Å; Y185-L306 VanDerWaalsContact CE2-O 3.27Å; Y185-L306 WeakPolarHBondContact CE2-O 3.38Å; Y185-L306 HydrophobicContact CG-CB 4.06Å; Y185-L306 HydrophobicContact CG-CD1 4.05Å; F245-L306 HydrophobicContact CZ-CD1 4.42Å; V249-L306 HydrophobicContact CG1-CD1 4.31Å; V249-L306 HydrophobicContact CG1-CD2 4.22Å; V249-L306 HydrophobicContact CG2-CD1 4.04Å; H253-L306 PolarHBondContact CD2-O 3.25Å; H253-L306 VanDerWaalsContact CD2-O 3.23Å; H253-L306 PolarHBondContact NE2-O 2.97Å; N302-L306 PolarHBondContact O-N 3.49Å; L306-L315 HydrophobicContact CD2-CD1 3.55Å; L306-L315 HydrophobicContact CG-CD1 3.98Å; L306-F319 HydrophobicContact CD1-CD2 4.34Å; L306-F319 HydrophobicContact CD1-CE1 4.27Å; L306-F319 HydrophobicContact CD1-CE2 3.89Å; L306-F319 HydrophobicContact CD1-CZ 3.87Å; L306-F319 HydrophobicContact CD2-CB 4.37Å; L306-F319 HydrophobicContact CD2-CD1 4.45Å; L306-F319 HydrophobicContact CD2-CD2 3.87Å; L306-F319 HydrophobicContact CD2-CE2 4.26Å; L306-F319 HydrophobicContact CD2-CG 3.98Å; L306-F319 HydrophobicContact CG-CD2 4.1Å; L306-F319 HydrophobicContact CG-CE2 4.02Å; L306-F319 HydrophobicContact CG-CZ 4.49Å
307E96.1Very high97Very high68 Ų6851 Ų5132%0.31826%0.255SS..THydrogen-bonded Turntrans-92.3-5.1176.865.8170.2131.600114.3K178 P183 L184 Y185 A304 L305K178-E307 VanDerWaalsContact CE-OE2 3.26Å; K178-E307 WeakPolarHBondContact CE-OE2 3.33Å; K178-E307 IonicContact NZ-OE1 2.79Å; K178-E307 PolarHBondContact NZ-OE1 3.5Å; K178-E307 IonicContact NZ-OE2 3.73Å; K178-E307 PolarHBondContact NZ-OE2 3.46Å; P183-E307 WeakPolarHBondContact CA-OE1 3.47Å; L184-E307 HydrophobicContact CB-CB 3.84Å; L184-E307 HydrophobicContact CB-CG 4.27Å; L184-E307 WeakPolarHBondContact CB-OE2 3.26Å; L184-E307 HydrophobicContact CD2-CB 3.98Å; L184-E307 PolarHBondContact N-OE1 3.3Å; Y185-E307 HydrophobicContact CD2-CB 4.27Å; Y185-E307 HydrophobicContact CE2-CB 4.07Å; A304-E307 WeakPolarHBondContact O-CG 3.5Å; L305-E307 PolarHBondContact O-N 2.88Å
308Q96.2Very high97Very high128 Ų12850.3 Ų50.360%0.59825%0.25SS*.THydrogen-bonded Turntrans-106.9-38.5-178.3-62.7173.958.400111A304 L305A304-Q308 PolarHBondContact O-NE2 3.22Å; A304-Q308 VanDerWaalsContact O-NE2 3.09Å; L305-Q308 WeakPolarHBondContact O-CA 3.32Å; L305-Q308 PolarHBondContact O-N 3.39Å
309E97Very high97Very high77 Ų7747.6 Ų47.636%0.3624%0.235SC..  trans-91114.2-179.9-61.9-56.1150.700110.5H253 L305 L315H253-E309 PolarHBondContact CE1-O 3.39Å; H253-E309 PolarHBondContact NE2-O 3.36Å; L305-E309 HydrophobicContact CB-CG 4.49Å; L305-E309 PolarHBondContact O-N 3.1Å; E309-L315 HydrophobicContact CB-CD1 4.48Å; E309-L315 HydrophobicContact CB-CD2 4.4Å; E309-L315 HydrophobicContact CB-CG 4.34Å; E309-L315 HydrophobicContact CG-CD2 3.99Å; E309-L315 HydrophobicContact CG-CG 4.45Å
310E93.7Very high97Very high167 Ų16747.6 Ų47.678%0.7824%0.235SC*.SBendtrans-74.3-34177.6-66.1-174.1173.400112.1H253 G255H253-E310 PolarHBondContact CE1-O 3.1Å; H253-E310 VanDerWaalsContact CE1-O 3.29Å; G255-E310 PolarHBondContact N-O 3.49Å
311D95.9Very high96.9Very high64 Ų6447.9 Ų47.934%0.34224%0.235SC..SBendtrans-89.7110.2174.8176.817000110.1N313 Q314D311-N313 PolarHBondContact O-N 2.9Å; D311-N313 WeakPolarHBondContact OD1-CB 3.49Å; D311-N313 PolarHBondContact OD1-N 3.11Å; D311-Q314 HydrophobicContact CB-CG 4.08Å; D311-Q314 PolarHBondContact O-N 3.47Å; D311-Q314 PolarHBondContact OD2-NE2 3.14Å
312V96Very high96.9Very high2 Ų245.3 Ų45.31%0.01222%0.223CC..G310 helixtrans-65.6-21.4-178.475.30000112.3L256 Q314 L315 F319L256-V312 HydrophobicContact CD1-CG2 4.36Å; L256-V312 HydrophobicContact CD2-CG1 3.9Å; L256-V312 HydrophobicContact CG-CB 4.49Å; L256-V312 HydrophobicContact CG-CG1 4.27Å; L256-V312 HydrophobicContact CG-CG2 4.35Å; V312-Q314 VanDerWaalsContact C-N 3.26Å; V312-Q314 PolarHBondContact O-N 3.33Å; V312-L315 WeakPolarHBondContact O-CB 3.41Å; V312-L315 PolarHBondContact O-N 3Å; V312-L315 VanDerWaalsContact O-N 3.12Å; V312-F319 HydrophobicContact CG2-CB 3.8Å; V312-F319 WeakPolarHBondContact CG2-O 3.47Å
313N96.4Very high96.9Very high23 Ų2345 Ų4512%0.12322%0.221CC..G310 helixtrans-72.1-20.2-178.6-63.5-26.1000112.7D311 L315 T316 Y321 E322D311-N313 PolarHBondContact O-N 2.9Å; D311-N313 WeakPolarHBondContact OD1-CB 3.49Å; D311-N313 PolarHBondContact OD1-N 3.11Å; N313-L315 PolarHBondContact O-N 2.65Å; N313-T316 WeakPolarHBondContact O-CG2 3.27Å; N313-Y321 WeakPolarHBondContact OD1-CA 3.17Å; N313-Y321 WeakPolarHBondContact OD1-CB 3.25Å; N313-Y321 PolarHBondContact OD1-N 3.47Å; N313-E322 HydrophobicContact CB-CG 4.35Å; N313-E322 VanDerWaalsContact ND2-CG 3.34Å; N313-E322 WeakPolarHBondContact ND2-CG 3.4Å; N313-E322 PolarHBondContact ND2-OE1 3.39Å; N313-E322 PolarHBondContact OD1-N 3.43Å; N313-E322 VanDerWaalsContact OD1-N 3.16Å
314Q96.1Very high96.9Very high120 Ų12045.1 Ų45.156%0.56122%0.222SC*.G310 helixtrans-68.7-19.4171-55.6-54-47.600112.7D311 V312 T316D311-Q314 HydrophobicContact CB-CG 4.08Å; D311-Q314 PolarHBondContact O-N 3.47Å; D311-Q314 PolarHBondContact OD2-NE2 3.14Å; V312-Q314 VanDerWaalsContact C-N 3.26Å; V312-Q314 PolarHBondContact O-N 3.33Å; Q314-T316 VanDerWaalsContact C-N 3.26Å; Q314-T316 PolarHBondContact O-N 3.39Å; Q314-T316 VanDerWaalsContact O-N 3.15Å
315L96.6Very high96.8Very high5 Ų545.2 Ų45.23%0.02622%0.217CC..  trans-90.262.7176.2-58.2177.6000110.3L305 L306 E309 V312 N313 E317 F319 S320L305-L315 HydrophobicContact CB-CD2 3.71Å; L305-L315 HydrophobicContact CD1-CD2 4.17Å; L306-L315 HydrophobicContact CD2-CD1 3.55Å; L306-L315 HydrophobicContact CG-CD1 3.98Å; E309-L315 HydrophobicContact CB-CD1 4.48Å; E309-L315 HydrophobicContact CB-CD2 4.4Å; E309-L315 HydrophobicContact CB-CG 4.34Å; E309-L315 HydrophobicContact CG-CD2 3.99Å; E309-L315 HydrophobicContact CG-CG 4.45Å; V312-L315 WeakPolarHBondContact O-CB 3.41Å; V312-L315 PolarHBondContact O-N 3Å; V312-L315 VanDerWaalsContact O-N 3.12Å; N313-L315 PolarHBondContact O-N 2.65Å; L315-E317 VanDerWaalsContact C-N 3.26Å; L315-E317 PolarHBondContact O-N 3.3Å; L315-F319 HydrophobicContact CB-CB 4.11Å; L315-F319 HydrophobicContact CB-CD2 4.22Å; L315-F319 HydrophobicContact CD1-CD2 4.08Å; L315-F319 PolarHBondContact O-N 3.48Å; L315-F319 VanDerWaalsContact O-N 3.09Å; L315-S320 PolarHBondContact O-N 3.39Å; L315-S320 VanDerWaalsContact O-N 3.08Å
316T96.3Very high96.8Very high41 Ų4142.4 Ų42.425%0.25220%0.202SC..THydrogen-bonded Turntrans-60-31.2-169.659.10000113.4R276 N313 Q314 Y318 H323 E511R276-T316 PolarHBondContact NH2-O 2.71Å; N313-T316 WeakPolarHBondContact O-CG2 3.27Å; Q314-T316 VanDerWaalsContact C-N 3.26Å; Q314-T316 PolarHBondContact O-N 3.39Å; Q314-T316 VanDerWaalsContact O-N 3.15Å; T316-Y318 PolarHBondContact O-N 3.27Å; T316-H323 PolarHBondContact O-CE1 3.21Å; T316-H323 PolarHBondContact O-ND1 3.31Å; T316-E511 VanDerWaalsContact CB-OE1 3.23Å; T316-E511 WeakPolarHBondContact CB-OE1 3.33Å; T316-E511 PolarHBondContact OG1-OE1 3.35Å
317E95.4Very high96.9Very high67 Ų6742.2 Ų42.231%0.31320%0.201SC..THydrogen-bonded Turntrans-67.7-33-172-63.5-177.4165.300114.3R276 N280 N298 N302 L315R276-E317 PolarHBondContact NH2-O 3.49Å; N280-E317 PolarHBondContact ND2-O 2.92Å; N298-E317 PolarHBondContact ND2-OE1 3.38Å; N298-E317 PolarHBondContact ND2-OE2 3.1Å; N298-E317 PolarHBondContact OD1-OE2 3.21Å; N298-E317 VanDerWaalsContact OD1-OE2 3.12Å; N302-E317 PolarHBondContact ND2-OE2 3.39Å; L315-E317 VanDerWaalsContact C-N 3.26Å; L315-E317 PolarHBondContact O-N 3.3Å
318Y98Very high96.9Very high3 Ų340.7 Ų40.71%0.01219%0.193CC..THydrogen-bonded Turntrans-136.8-46.7-173.8-56.9-82.9000113.7I277 N280 V281 N298 F299 N302 T316I277-Y318 HydrophobicContact CB-CD1 4.43Å; I277-Y318 HydrophobicContact CG1-CD1 3.79Å; I277-Y318 HydrophobicContact CG1-CE1 4.4Å; N280-Y318 HydrophobicContact CB-CE1 3.76Å; V281-Y318 HydrophobicContact CG2-CE1 4.15Å; N298-Y318 WeakPolarHBondContact OD1-CE2 3.48Å; N298-Y318 PolarHBondContact OD1-OH 3.15Å; F299-Y318 HydrophobicContact CB-CE1 4.48Å; F299-Y318 HydrophobicContact CB-CE2 4.39Å; F299-Y318 HydrophobicContact CD2-CD1 4.02Å; F299-Y318 HydrophobicContact CD2-CD2 4.3Å; F299-Y318 HydrophobicContact CD2-CE1 4.04Å; F299-Y318 HydrophobicContact CD2-CE2 4.36Å; F299-Y318 HydrophobicContact CD2-CG 4.15Å; N302-Y318 HydrophobicContact CB-CD2 3.94Å; N302-Y318 HydrophobicContact CB-CE2 4.3Å; T316-Y318 PolarHBondContact O-N 3.27Å
319F98.4Very high96.9Very high0 Ų035 Ų350%017%0.167CC..THydrogen-bonded Turntrans-103.1-13.3-160.1-58.2-66.2000114.6F245 M246 Y269 V273 F299 N302 V303 L306 V312 L315 Y321F245-F319 HydrophobicContact CE1-CE1 4.41Å; F245-F319 HydrophobicContact CE1-CZ 4.49Å; M246-F319 HydrophobicContact CE-CD1 4.05Å; M246-F319 HydrophobicContact CE-CE1 4.05Å; M246-F319 HydrophobicContact SD-CD1 4.44Å; M246-F319 HydrophobicContact SD-CE1 3.83Å; Y269-F319 WeakPolarHBondContact CE2-O 3.17Å; Y269-F319 PolarHBondContact OH-O 3.48Å; V273-F319 HydrophobicContact CG1-CD1 3.76Å; V273-F319 HydrophobicContact CG1-CE1 3.9Å; F299-F319 HydrophobicContact CE2-CE1 4.45Å; F299-F319 AromaticContact CE2-CZ 3.82Å; F299-F319 HydrophobicContact CE2-CZ 3.82Å; F299-F319 HydrophobicContact CZ-CZ 4.42Å; N302-F319 HydrophobicContact CB-CD2 4.45Å; N302-F319 HydrophobicContact CB-CE2 3.94Å; V303-F319 HydrophobicContact CG2-CZ 4.11Å; L306-F319 HydrophobicContact CD1-CD2 4.34Å; L306-F319 HydrophobicContact CD1-CE1 4.27Å; L306-F319 HydrophobicContact CD1-CE2 3.89Å; L306-F319 HydrophobicContact CD1-CZ 3.87Å; L306-F319 HydrophobicContact CD2-CB 4.37Å; L306-F319 HydrophobicContact CD2-CD1 4.45Å; L306-F319 HydrophobicContact CD2-CD2 3.87Å; L306-F319 HydrophobicContact CD2-CE2 4.26Å; L306-F319 HydrophobicContact CD2-CG 3.98Å; L306-F319 HydrophobicContact CG-CD2 4.1Å; L306-F319 HydrophobicContact CG-CE2 4.02Å; L306-F319 HydrophobicContact CG-CZ 4.49Å; V312-F319 HydrophobicContact CG2-CB 3.8Å; V312-F319 WeakPolarHBondContact CG2-O 3.47Å; L315-F319 HydrophobicContact CB-CB 4.11Å; L315-F319 HydrophobicContact CB-CD2 4.22Å; L315-F319 HydrophobicContact CD1-CD2 4.08Å; L315-F319 PolarHBondContact O-N 3.48Å; L315-F319 VanDerWaalsContact O-N 3.09Å; F319-Y321 PolarHBondContact O-N 3.03Å
320S98.1Very high96.9Very high0 Ų032.6 Ų32.60%016%0.155CC..  trans-48.9125.4-179.5166.90000112.6L315 E322 H323 F324L315-S320 PolarHBondContact O-N 3.39Å; L315-S320 VanDerWaalsContact O-N 3.08Å; S320-E322 PolarHBondContact OG-N 2.85Å; S320-H323 PolarHBondContact OG-CD2 3.31Å; S320-H323 PolarHBondContact OG-N 3Å; S320-F324 PolarHBondContact O-N 3.03Å
321Y97.1Very high97Very high29 Ų2924.8 Ų24.811%0.11412%0.119CC..Hα-helixtrans-74-38.2176.9175.4-91.3000110.9L256 F258 L259 Y269 N313 F319 H323 F324 Y325L256-Y321 HydrophobicContact CD2-CD2 4.34Å; F258-Y321 HydrophobicContact CE2-CD1 4.49Å; F258-Y321 HydrophobicContact CE2-CD2 4.17Å; F258-Y321 AromaticContact CE2-CE1 3.97Å; F258-Y321 HydrophobicContact CE2-CE1 3.97Å; F258-Y321 AromaticContact CE2-CE2 3.6Å; F258-Y321 HydrophobicContact CE2-CE2 3.6Å; F258-Y321 AromaticContact CE2-CZ 3.49Å; F258-Y321 VanDerWaalsContact CE2-CZ 3.49Å; F258-Y321 AromaticContact CZ-CD1 3.85Å; F258-Y321 HydrophobicContact CZ-CD1 3.85Å; F258-Y321 AromaticContact CZ-CD2 3.76Å; F258-Y321 HydrophobicContact CZ-CD2 3.76Å; F258-Y321 AromaticContact CZ-CE1 3.77Å; F258-Y321 HydrophobicContact CZ-CE1 3.77Å; F258-Y321 AromaticContact CZ-CE2 3.66Å; F258-Y321 HydrophobicContact CZ-CE2 3.66Å; F258-Y321 AromaticContact CZ-CG 3.85Å; F258-Y321 HydrophobicContact CZ-CG 3.85Å; F258-Y321 AromaticContact CZ-CZ 3.68Å; L259-Y321 HydrophobicContact CD1-CE2 4.13Å; Y269-Y321 HydrophobicContact CD2-CD2 4.19Å; Y269-Y321 HydrophobicContact CE2-CD2 4.46Å; N313-Y321 WeakPolarHBondContact OD1-CA 3.17Å; N313-Y321 WeakPolarHBondContact OD1-CB 3.25Å; N313-Y321 PolarHBondContact OD1-N 3.47Å; F319-Y321 PolarHBondContact O-N 3.03Å; Y321-H323 VanDerWaalsContact C-N 3.32Å; Y321-H323 PolarHBondContact O-N 3.39Å; Y321-F324 AromaticContact CD2-CD1 3.7Å; Y321-F324 HydrophobicContact CD2-CD1 3.7Å; Y321-F324 HydrophobicContact CD2-CE1 4.17Å; Y321-F324 AromaticContact CE2-CD1 3.61Å; Y321-F324 HydrophobicContact CE2-CD1 3.61Å; Y321-F324 AromaticContact CE2-CE1 3.61Å; Y321-F324 HydrophobicContact CE2-CE1 3.61Å; Y321-F324 HydrophobicContact CG-CD1 4.43Å; Y321-F324 WeakPolarHBondContact O-CA 3.17Å; Y321-F324 WeakPolarHBondContact O-CB 3.29Å; Y321-F324 PolarHBondContact O-N 2.9Å; Y321-F324 VanDerWaalsContact O-N 3.08Å; Y321-Y325 HydrophobicContact CE1-CD2 4.38Å; Y321-Y325 PolarHBondContact O-N 3.43Å
322E97.2Very high96.9Very high56 Ų5626.2 Ų26.226%0.26212%0.119SC..Hα-helixtrans-54.5-47.9175.6-76.2168.6-169.800111.6N313 S320 F324 Y325 V326 Y518N313-E322 HydrophobicContact CB-CG 4.35Å; N313-E322 VanDerWaalsContact ND2-CG 3.34Å; N313-E322 WeakPolarHBondContact ND2-CG 3.4Å; N313-E322 PolarHBondContact ND2-OE1 3.39Å; N313-E322 PolarHBondContact OD1-N 3.43Å; N313-E322 VanDerWaalsContact OD1-N 3.16Å; S320-E322 PolarHBondContact OG-N 2.85Å; E322-F324 VanDerWaalsContact C-N 3.32Å; E322-F324 PolarHBondContact O-N 3.2Å; E322-Y325 WeakPolarHBondContact O-CB 3.24Å; E322-Y325 PolarHBondContact O-N 3.31Å; E322-Y325 VanDerWaalsContact O-N 3.12Å; E322-V326 PolarHBondContact O-N 2.79Å; E322-Y518 HydrophobicContact CB-CD1 4.46Å; E322-Y518 HydrophobicContact CB-CD2 3.97Å; E322-Y518 HydrophobicContact CB-CE2 4.23Å; E322-Y518 HydrophobicContact CB-CG 4.09Å; E322-Y518 HydrophobicContact CG-CD1 3.83Å; E322-Y518 HydrophobicContact CG-CD2 3.88Å; E322-Y518 HydrophobicContact CG-CE1 3.67Å; E322-Y518 HydrophobicContact CG-CE2 3.75Å; E322-Y518 HydrophobicContact CG-CG 3.92Å
323H98.3Very high96.9Very high7 Ų730.7 Ų30.73%0.03214%0.14CC..Hα-helixtrans-61.8-41.1176.9-70.9-163.1000112R276 T316 S320 Y321 Y325 I327 W510R276-H323 PolarHBondContact NH1-ND1 2.73Å; R276-H323 PolarHBondContact NH2-ND1 2.76Å; T316-H323 PolarHBondContact O-CE1 3.21Å; T316-H323 PolarHBondContact O-ND1 3.31Å; S320-H323 PolarHBondContact OG-CD2 3.31Å; S320-H323 PolarHBondContact OG-N 3Å; Y321-H323 VanDerWaalsContact C-N 3.32Å; Y321-H323 PolarHBondContact O-N 3.39Å; H323-Y325 VanDerWaalsContact C-N 3.32Å; H323-I327 WeakPolarHBondContact O-CD1 3.49Å; H323-I327 VanDerWaalsContact O-CG1 3.22Å; H323-I327 WeakPolarHBondContact O-CG1 3.39Å; H323-I327 PolarHBondContact O-N 3.23Å; H323-W510 HydrophobicContact CB-CZ2 4.19Å; H323-W510 AromaticContact CE1-CD1 3.87Å; H323-W510 AromaticContact CE1-NE1 3.48Å; H323-W510 PolarHBondContact CE1-NE1 3.38Å; H323-W510 AromaticContact CG-NE1 3.66Å; H323-W510 AromaticContact ND1-CD1 3.82Å; H323-W510 AromaticContact ND1-NE1 3.03Å; H323-W510 PolarHBondContact ND1-NE1 2.97Å
324F98.2Very high96.8Very high1 Ų130 Ų300%0.00414%0.136CC..Hα-helixtrans-60.7-44.4174.6150-104.5000111.2F265 R268 Y269 T272 S320 Y321 E322 I327 Y328F265-F324 HydrophobicContact CD1-CE1 4.41Å; F265-F324 HydrophobicContact CD1-CZ 4.2Å; R268-F324 HydrophobicContact CB-CE2 3.7Å; R268-F324 HydrophobicContact CB-CZ 4.01Å; Y269-F324 HydrophobicContact CD2-CB 3.79Å; Y269-F324 AromaticContact CD2-CD1 3.73Å; Y269-F324 HydrophobicContact CD2-CD1 3.73Å; Y269-F324 HydrophobicContact CD2-CD2 4.39Å; Y269-F324 HydrophobicContact CD2-CE1 4.45Å; Y269-F324 AromaticContact CD2-CG 3.68Å; Y269-F324 HydrophobicContact CD2-CG 3.68Å; Y269-F324 HydrophobicContact CE2-CB 4.33Å; Y269-F324 HydrophobicContact CG-CD1 4.41Å; Y269-F324 HydrophobicContact CG-CG 4.42Å; Y269-F324 VanDerWaalsContact N-CE2 3.34Å; T272-F324 HydrophobicContact CG2-CB 4.23Å; T272-F324 HydrophobicContact CG2-CD2 4.23Å; S320-F324 PolarHBondContact O-N 3.03Å; Y321-F324 AromaticContact CD2-CD1 3.7Å; Y321-F324 HydrophobicContact CD2-CD1 3.7Å; Y321-F324 HydrophobicContact CD2-CE1 4.17Å; Y321-F324 AromaticContact CE2-CD1 3.61Å; Y321-F324 HydrophobicContact CE2-CD1 3.61Å; Y321-F324 AromaticContact CE2-CE1 3.61Å; Y321-F324 HydrophobicContact CE2-CE1 3.61Å; Y321-F324 HydrophobicContact CG-CD1 4.43Å; Y321-F324 WeakPolarHBondContact O-CA 3.17Å; Y321-F324 WeakPolarHBondContact O-CB 3.29Å; Y321-F324 PolarHBondContact O-N 2.9Å; Y321-F324 VanDerWaalsContact O-N 3.08Å; E322-F324 VanDerWaalsContact C-N 3.32Å; E322-F324 PolarHBondContact O-N 3.2Å; F324-I327 PolarHBondContact O-N 3.09Å; F324-Y328 HydrophobicContact CE2-CD2 4.42Å; F324-Y328 HydrophobicContact CE2-CG 4.33Å; F324-Y328 HydrophobicContact CZ-CG 4.35Å; F324-Y328 WeakPolarHBondContact O-CB 3.39Å; F324-Y328 PolarHBondContact O-N 3.43Å
325Y96.9Very high96.8Very high29 Ų2924.4 Ų24.411%0.11411%0.11CC..Hα-helixtrans-61.9-46.8-176.5-169.6-108.2000111.2Y321 E322 H323 I327 Y328 C329 Y518 L521Y321-Y325 HydrophobicContact CE1-CD2 4.38Å; Y321-Y325 PolarHBondContact O-N 3.43Å; E322-Y325 WeakPolarHBondContact O-CB 3.24Å; E322-Y325 PolarHBondContact O-N 3.31Å; E322-Y325 VanDerWaalsContact O-N 3.12Å; H323-Y325 VanDerWaalsContact C-N 3.32Å; Y325-I327 PolarHBondContact O-N 3.27Å; Y325-Y328 PolarHBondContact O-N 3.37Å; Y325-C329 WeakPolarHBondContact O-CB 3.35Å; Y325-C329 PolarHBondContact O-N 2.87Å; Y325-C329 PolarHBondContact O-SG 2.9Å; Y325-C329 VanDerWaalsContact O-SG 3.39Å; Y325-Y518 AromaticContact CD1-CD2 3.81Å; Y325-Y518 HydrophobicContact CD1-CD2 3.81Å; Y325-Y518 AromaticContact CD1-CE2 3.66Å; Y325-Y518 HydrophobicContact CD1-CE2 3.66Å; Y325-Y518 HydrophobicContact CE1-CE2 4.42Å; Y325-Y518 HydrophobicContact CG-CD2 4.48Å; Y325-Y518 HydrophobicContact CG-CE2 4.18Å; Y325-L521 HydrophobicContact CD1-CD1 4.26Å; Y325-L521 HydrophobicContact CE1-CB 4.38Å; Y325-L521 HydrophobicContact CE1-CD1 4.28Å
326V98.1Very high96.5Very high0 Ų028.1 Ų28.10%014%0.137CC..Hα-helixtrans-57.5-49.4174.4173.90000111.5E322 Y328 C329 K330 Y513 A514 E517 Y518 L521E322-V326 PolarHBondContact O-N 2.79Å; V326-Y328 VanDerWaalsContact C-N 3.27Å; V326-Y328 PolarHBondContact O-N 3.47Å; V326-C329 PolarHBondContact O-N 2.96Å; V326-K330 HydrophobicContact CG1-CG 4.43Å; V326-K330 WeakPolarHBondContact O-CG 3.39Å; V326-K330 PolarHBondContact O-N 3.17Å; V326-Y513 HydrophobicContact CG1-CE1 4.04Å; V326-A514 WeakPolarHBondContact CG2-O 3.44Å; V326-E517 HydrophobicContact CG1-CB 3.76Å; V326-E517 HydrophobicContact CG1-CG 4.38Å; V326-E517 HydrophobicContact CG2-CB 4.05Å; V326-Y518 HydrophobicContact CG2-CD2 4.4Å; V326-L521 HydrophobicContact CG2-CD1 4.28Å
327I98.3Very high96.4Very high0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-57.8-43.5177.9-67.2165.3000110.9T272 H323 F324 Y325 F331 Y382 F385 V386 I389 I390 W510T272-I327 HydrophobicContact CG2-CD1 3.73Å; H323-I327 WeakPolarHBondContact O-CD1 3.49Å; H323-I327 VanDerWaalsContact O-CG1 3.22Å; H323-I327 WeakPolarHBondContact O-CG1 3.39Å; H323-I327 PolarHBondContact O-N 3.23Å; F324-I327 PolarHBondContact O-N 3.09Å; Y325-I327 PolarHBondContact O-N 3.27Å; I327-F331 PolarHBondContact O-N 3.49Å; I327-F331 VanDerWaalsContact O-N 3.11Å; I327-Y382 HydrophobicContact CG2-CE2 4.17Å; I327-F385 HydrophobicContact CG2-CD1 4.49Å; I327-V386 HydrophobicContact CD1-CG1 4.3Å; I327-V386 HydrophobicContact CG2-CB 4.41Å; I327-V386 HydrophobicContact CG2-CG2 3.77Å; I327-I389 HydrophobicContact CG1-CG2 4.02Å; I327-I389 HydrophobicContact CG2-CG2 4.14Å; I327-I390 HydrophobicContact CD1-CD1 4.32Å; I327-I390 HydrophobicContact CD1-CG1 4.39Å; I327-W510 HydrophobicContact CD1-CH2 3.78Å; I327-W510 HydrophobicContact CD1-CZ2 3.67Å; I327-W510 HydrophobicContact CG1-CH2 3.41Å; I327-W510 VanDerWaalsContact CG1-CH2 3.41Å; I327-W510 HydrophobicContact CG1-CZ2 3.78Å
328Y97.1Very high96.2Very high36 Ų3632.4 Ų32.414%0.14116%0.157CC..Hα-helixtrans-66.9-46.9-179.4179.9-98.3000112.3F265 R268 F324 Y325 V326 F331 W332 Y382F265-Y328 HydrophobicContact CD1-CD1 4.36Å; F265-Y328 HydrophobicContact CD1-CE1 4.17Å; F265-Y328 AromaticContact CE1-CD1 3.79Å; F265-Y328 HydrophobicContact CE1-CD1 3.79Å; F265-Y328 AromaticContact CE1-CE1 3.42Å; F265-Y328 HydrophobicContact CE1-CE1 3.42Å; F265-Y328 VanDerWaalsContact CE1-CE1 3.42Å; F265-Y328 AromaticContact CZ-CE1 3.9Å; F265-Y328 HydrophobicContact CZ-CE1 3.9Å; R268-Y328 HydrophobicContact CB-CD2 4.2Å; R268-Y328 HydrophobicContact CB-CE2 4.37Å; R268-Y328 HydrophobicContact CG-CD2 4.19Å; R268-Y328 HydrophobicContact CG-CE2 3.92Å; F324-Y328 HydrophobicContact CE2-CD2 4.42Å; F324-Y328 HydrophobicContact CE2-CG 4.33Å; F324-Y328 HydrophobicContact CZ-CG 4.35Å; F324-Y328 WeakPolarHBondContact O-CB 3.39Å; F324-Y328 PolarHBondContact O-N 3.43Å; Y325-Y328 PolarHBondContact O-N 3.37Å; V326-Y328 VanDerWaalsContact C-N 3.27Å; V326-Y328 PolarHBondContact O-N 3.47Å; Y328-F331 WeakPolarHBondContact O-CB 3.46Å; Y328-F331 PolarHBondContact O-N 3.47Å; Y328-W332 WeakPolarHBondContact O-CB 3.28Å; Y328-W332 PolarHBondContact O-N 3.16Å; Y328-Y382 HydrophobicContact CD2-CE2 4.27Å
329C95.7Very high96Very high9 Ų934.6 Ų34.66%0.06117%0.169CC..Hα-helixtrans-60.7-46.9178-71.50000111.6Y325 V326 F331 W332 E333 L521Y325-C329 WeakPolarHBondContact O-CB 3.35Å; Y325-C329 PolarHBondContact O-N 2.87Å; Y325-C329 PolarHBondContact O-SG 2.9Å; Y325-C329 VanDerWaalsContact O-SG 3.39Å; V326-C329 PolarHBondContact O-N 2.96Å; C329-F331 VanDerWaalsContact C-N 3.28Å; C329-F331 PolarHBondContact O-N 3.16Å; C329-W332 WeakPolarHBondContact O-CB 3.41Å; C329-W332 PolarHBondContact O-N 2.93Å; C329-W332 VanDerWaalsContact O-N 3.07Å; C329-E333 WeakPolarHBondContact O-CG 3.49Å; C329-E333 PolarHBondContact O-N 2.92Å; C329-L521 HydrophobicContact CB-CD1 3.87Å; C329-L521 HydrophobicContact CB-CD2 4.22Å
330K96.6Very high95.6Very high25 Ų2538 Ų3811%0.10919%0.187CC..Hα-helixtrans-61.9-34.1176.5-66.8-60-177.9-1700113V326 E333 L334 F385 Y513 E517V326-K330 HydrophobicContact CG1-CG 4.43Å; V326-K330 WeakPolarHBondContact O-CG 3.39Å; V326-K330 PolarHBondContact O-N 3.17Å; K330-E333 IonicContact NZ-OE2 2.61Å; K330-L334 WeakPolarHBondContact O-CG 3.45Å; K330-F385 HydrophobicContact CB-CE1 4.31Å; K330-F385 HydrophobicContact CB-CZ 4.09Å; K330-Y513 WeakPolarHBondContact CE-OH 3.47Å; K330-E517 WeakPolarHBondContact CE-OE2 3.38Å; K330-E517 IonicContact NZ-OE2 2.65Å; K330-E517 PolarHBondContact NZ-OE2 2.94Å
331F96.8Very high95.5Very high3 Ų342.8 Ų42.81%0.01321%0.205CC..Hα-helixtrans-68.1-46.2172-178.6-97.3000111.6I327 Y328 C329 E333 L334 D335 I342 Y382 F385I327-F331 PolarHBondContact O-N 3.49Å; I327-F331 VanDerWaalsContact O-N 3.11Å; Y328-F331 WeakPolarHBondContact O-CB 3.46Å; Y328-F331 PolarHBondContact O-N 3.47Å; C329-F331 VanDerWaalsContact C-N 3.28Å; C329-F331 PolarHBondContact O-N 3.16Å; F331-E333 VanDerWaalsContact C-N 3.29Å; F331-E333 PolarHBondContact O-N 3.36Å; F331-L334 WeakPolarHBondContact O-CB 3.35Å; F331-L334 PolarHBondContact O-N 2.9Å; F331-D335 HydrophobicContact CD1-CB 4.15Å; F331-D335 HydrophobicContact CE1-CB 3.69Å; F331-D335 WeakPolarHBondContact CE1-OD2 3.36Å; F331-D335 HydrophobicContact CZ-CB 4.09Å; F331-D335 PolarHBondContact O-N 3.36Å; F331-I342 HydrophobicContact CD2-CD1 4.45Å; F331-I342 HydrophobicContact CD2-CG2 4.2Å; F331-I342 HydrophobicContact CE2-CB 4.48Å; F331-I342 HydrophobicContact CE2-CD1 4.28Å; F331-I342 HydrophobicContact CE2-CG1 4.21Å; F331-I342 HydrophobicContact CE2-CG2 3.65Å; F331-I342 HydrophobicContact CZ-CG2 4.01Å; F331-Y382 HydrophobicContact CB-CD2 3.86Å; F331-Y382 HydrophobicContact CB-CE2 3.89Å; F331-Y382 AromaticContact CD1-CD2 3.71Å; F331-Y382 HydrophobicContact CD1-CD2 3.71Å; F331-Y382 HydrophobicContact CD1-CE2 4.36Å; F331-Y382 AromaticContact CD2-CD2 3.83Å; F331-Y382 HydrophobicContact CD2-CD2 3.83Å; F331-Y382 HydrophobicContact CE1-CD2 4.2Å; F331-Y382 HydrophobicContact CE2-CD2 4.28Å; F331-Y382 AromaticContact CG-CD2 3.5Å; F331-Y382 HydrophobicContact CG-CD2 3.5Å; F331-Y382 HydrophobicContact CG-CE2 4.06Å; F331-Y382 HydrophobicContact CZ-CD2 4.47Å; F331-F385 HydrophobicContact CB-CD1 3.65Å; F331-F385 HydrophobicContact CB-CE1 3.63Å; F331-F385 HydrophobicContact CB-CG 4.42Å; F331-F385 HydrophobicContact CB-CZ 4.39Å; F331-F385 HydrophobicContact CD2-CB 3.66Å; F331-F385 AromaticContact CD2-CD1 3.63Å; F331-F385 HydrophobicContact CD2-CD1 3.63Å; F331-F385 HydrophobicContact CD2-CD2 4.22Å; F331-F385 HydrophobicContact CD2-CE1 4.31Å; F331-F385 AromaticContact CD2-CG 3.56Å; F331-F385 HydrophobicContact CD2-CG 3.56Å; F331-F385 HydrophobicContact CE2-CB 4.04Å; F331-F385 HydrophobicContact CE2-CG 4.37Å; F331-F385 HydrophobicContact CG-CD1 4.1Å; F331-F385 HydrophobicContact CG-CE1 4.49Å; F331-F385 HydrophobicContact CG-CG 4.46Å
332W94.3Very high95.4Very high94 Ų9441.4 Ų41.436%0.35620%0.2SC..Hα-helixtrans-63.1-33.9-177-174.786.9000112.8Y328 C329 L334 H338Y328-W332 WeakPolarHBondContact O-CB 3.28Å; Y328-W332 PolarHBondContact O-N 3.16Å; C329-W332 WeakPolarHBondContact O-CB 3.41Å; C329-W332 PolarHBondContact O-N 2.93Å; C329-W332 VanDerWaalsContact O-N 3.07Å; W332-L334 PolarHBondContact O-N 3.18Å; W332-H338 AromaticContact CE2-CE1 3.61Å; W332-H338 AromaticContact CZ2-CE1 3.79Å; W332-H338 AromaticContact NE1-CE1 3.32Å; W332-H338 PolarHBondContact NE1-CE1 2.84Å; W332-H338 VanDerWaalsContact NE1-CE1 3.32Å; W332-H338 AromaticContact NE1-ND1 3.65Å
333E94.5Very high95.3Very high96 Ų9641 Ų4145%0.44920%0.2SC..Hα-helixtrans-60.7-31.2172-73.6164.9-155.700112.8C329 K330 F331C329-E333 WeakPolarHBondContact O-CG 3.49Å; C329-E333 PolarHBondContact O-N 2.92Å; K330-E333 IonicContact NZ-OE2 2.61Å; F331-E333 VanDerWaalsContact C-N 3.29Å; F331-E333 PolarHBondContact O-N 3.36Å
334L95Very high95.1Very high8 Ų843.6 Ų43.64%0.04221%0.212CC..Hα-helixtrans-87.3-43.1-179.7-58.7179000112.1K330 F331 W332 S336 I342 D346 L347 R349 H350 F385K330-L334 WeakPolarHBondContact O-CG 3.45Å; F331-L334 WeakPolarHBondContact O-CB 3.35Å; F331-L334 PolarHBondContact O-N 2.9Å; W332-L334 PolarHBondContact O-N 3.18Å; L334-S336 VanDerWaalsContact C-N 3.33Å; L334-S336 PolarHBondContact O-N 3.25Å; L334-I342 HydrophobicContact CB-CG2 3.96Å; L334-I342 HydrophobicContact CD1-CD1 4.33Å; L334-D346 HydrophobicContact CB-CB 4.47Å; L334-L347 HydrophobicContact CD1-CD1 4.35Å; L334-R349 HydrophobicContact CD2-CB 4.3Å; L334-R349 PolarHBondContact O-NH2 3.19Å; L334-R349 VanDerWaalsContact O-NH2 3.08Å; L334-H350 HydrophobicContact CD1-CB 4.16Å; L334-H350 HydrophobicContact CD2-CB 4.26Å; L334-F385 HydrophobicContact CD1-CE2 3.7Å; L334-F385 HydrophobicContact CD1-CZ 4.23Å
335D95.4Very high94.9Very high3 Ų350.9 Ų50.92%0.01624%0.243CC..  trans-77.175.1-179.1179.913.5000111.7F331 H338 D339 L340 I342F331-D335 HydrophobicContact CD1-CB 4.15Å; F331-D335 HydrophobicContact CE1-CB 3.69Å; F331-D335 WeakPolarHBondContact CE1-OD2 3.36Å; F331-D335 HydrophobicContact CZ-CB 4.09Å; F331-D335 PolarHBondContact O-N 3.36Å; D335-H338 PolarHBondContact O-CE1 3.41Å; D335-H338 PolarHBondContact O-N 3.38Å; D335-H338 PolarHBondContact O-ND1 2.96Å; D335-H338 WeakPolarHBondContact OD1-CA 3.35Å; D335-H338 PolarHBondContact OD1-N 3.12Å; D335-H338 WeakPolarHBondContact OD2-CA 3.28Å; D335-D339 PolarHBondContact OD1-N 2.64Å; D335-D339 VanDerWaalsContact OD1-N 3.08Å; D335-L340 VanDerWaalsContact OD2-CA 3.27Å; D335-L340 WeakPolarHBondContact OD2-CA 3.48Å; D335-L340 PolarHBondContact OD2-N 3.03Å; D335-I342 HydrophobicContact CB-CG2 4.09Å
336S91.6Very high94.8Very high83 Ų8350.6 Ų50.658%0.5824%0.244SC*.THydrogen-bonded Turntrans-72.2-25.9-175.6-62.60000114.3L334L334-S336 VanDerWaalsContact C-N 3.33Å; L334-S336 PolarHBondContact O-N 3.25Å
337D93.4Very high94.6Very high102 Ų10250.8 Ų50.855%0.54525%0.245SC..THydrogen-bonded Turntrans-93.6-2.7176.861.7-9.3000113.2D339D337-D339 PolarHBondContact O-N 2.89Å
338H91.9Very high94.4Very high96 Ų9651.8 Ų51.844%0.44425%0.251SS..  trans58.734.2174.3-54.1-42.2000112.4W332 D335 L340W332-H338 AromaticContact CE2-CE1 3.61Å; W332-H338 AromaticContact CZ2-CE1 3.79Å; W332-H338 AromaticContact NE1-CE1 3.32Å; W332-H338 PolarHBondContact NE1-CE1 2.84Å; W332-H338 VanDerWaalsContact NE1-CE1 3.32Å; W332-H338 AromaticContact NE1-ND1 3.65Å; D335-H338 PolarHBondContact O-CE1 3.41Å; D335-H338 PolarHBondContact O-N 3.38Å; D335-H338 PolarHBondContact O-ND1 2.96Å; D335-H338 WeakPolarHBondContact OD1-CA 3.35Å; D335-H338 PolarHBondContact OD1-N 3.12Å; D335-H338 WeakPolarHBondContact OD2-CA 3.28Å; H338-L340 VanDerWaalsContact C-N 3.31Å
339D92.4Very high94Very high50 Ų5055.4 Ų55.427%0.26727%0.265SS..SBendtrans-88.8-2.1179.388.2-1.9000112.8D335 D337 Y341 R379D335-D339 PolarHBondContact OD1-N 2.64Å; D335-D339 VanDerWaalsContact OD1-N 3.08Å; D337-D339 PolarHBondContact O-N 2.89Å; D339-Y341 VanDerWaalsContact O-CD2 3.24Å; D339-Y341 WeakPolarHBondContact O-CD2 3.38Å; D339-Y341 PolarHBondContact O-N 3.18Å; D339-Y341 WeakPolarHBondContact OD1-CA 3.36Å; D339-Y341 VanDerWaalsContact OD1-CB 3.3Å; D339-Y341 WeakPolarHBondContact OD1-CB 3.24Å; D339-Y341 PolarHBondContact OD1-N 3.39Å; D339-R379 IonicContact OD2-CZ 3.54Å; D339-R379 IonicContact OD2-NH1 3.27Å; D339-R379 PolarHBondContact OD2-NH1 3.02Å; D339-R379 IonicContact OD2-NH2 2.77Å
340L91.7Very high93.8Very high71 Ų7155.5 Ų55.537%0.37226%0.264SS..SBendtrans71.417.2178.2-52.2161.8000114R268 D335 H338 Y382R268-L340 VanDerWaalsContact CZ-CD2 3.44Å; R268-L340 VanDerWaalsContact NH2-CG 3.26Å; D335-L340 VanDerWaalsContact OD2-CA 3.27Å; D335-L340 WeakPolarHBondContact OD2-CA 3.48Å; D335-L340 PolarHBondContact OD2-N 3.03Å; H338-L340 VanDerWaalsContact C-N 3.31Å; L340-Y382 PolarHBondContact O-N 3.08Å
341Y94.9Very high93.2Very high100 Ų10056.3 Ų56.339%0.39227%0.269SS..EExtended strand (participates in β ladder)trans-125.5159.5168.8-61.4-91.6000110.7D339 R379 L380D339-Y341 VanDerWaalsContact O-CD2 3.24Å; D339-Y341 WeakPolarHBondContact O-CD2 3.38Å; D339-Y341 PolarHBondContact O-N 3.18Å; D339-Y341 WeakPolarHBondContact OD1-CA 3.36Å; D339-Y341 VanDerWaalsContact OD1-CB 3.3Å; D339-Y341 WeakPolarHBondContact OD1-CB 3.24Å; D339-Y341 PolarHBondContact OD1-N 3.39Å; Y341-R379 HydrophobicContact CD1-CB 4.19Å; Y341-R379 HydrophobicContact CG-CB 4.4Å; Y341-L380 CarbonylContact C-O 3.6Å; Y341-L380 WeakPolarHBondContact CA-O 3.48Å
342I95.7Very high92.5Very high1 Ų163.6 Ų63.61%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-128.7138170.659176.6000109.2F331 L334 D335 D346 L347 R379 L380 F385F331-I342 HydrophobicContact CD2-CD1 4.45Å; F331-I342 HydrophobicContact CD2-CG2 4.2Å; F331-I342 HydrophobicContact CE2-CB 4.48Å; F331-I342 HydrophobicContact CE2-CD1 4.28Å; F331-I342 HydrophobicContact CE2-CG1 4.21Å; F331-I342 HydrophobicContact CE2-CG2 3.65Å; F331-I342 HydrophobicContact CZ-CG2 4.01Å; L334-I342 HydrophobicContact CB-CG2 3.96Å; L334-I342 HydrophobicContact CD1-CD1 4.33Å; D335-I342 HydrophobicContact CB-CG2 4.09Å; I342-D346 HydrophobicContact CB-CB 3.88Å; I342-D346 HydrophobicContact CG2-CB 4.24Å; I342-L347 HydrophobicContact CD1-CD1 4.07Å; I342-R379 CarbonylContact O-C 3.53Å; I342-R379 WeakPolarHBondContact O-CA 3.46Å; I342-L380 HydrophobicContact CG1-CB 3.9Å; I342-L380 PolarHBondContact N-O 2.84Å; I342-L380 PolarHBondContact O-N 2.92Å; I342-F385 HydrophobicContact CD1-CB 4.26Å; I342-F385 HydrophobicContact CD1-CD2 3.52Å; I342-F385 HydrophobicContact CD1-CE2 4.24Å; I342-F385 HydrophobicContact CD1-CG 4.21Å
343D94.7Very high92Very high47 Ų4764.8 Ų64.825%0.25132%0.318SS..EExtended strand (participates in β ladder)trans-93.6-179.7173.58313.1000111.8K345 D346 L347 F364 R379D343-K345 VanDerWaalsContact C-N 3.26Å; D343-K345 PolarHBondContact O-N 3.17Å; D343-K345 VanDerWaalsContact OD1-CA 3.3Å; D343-K345 WeakPolarHBondContact OD1-CA 3.37Å; D343-K345 WeakPolarHBondContact OD1-CB 3.42Å; D343-K345 PolarHBondContact OD1-N 3.42Å; D343-D346 PolarHBondContact N-OD2 3.48Å; D343-D346 PolarHBondContact O-N 2.9Å; D343-D346 PolarHBondContact OD1-N 2.98Å; D343-L347 PolarHBondContact O-N 3.21Å; D343-F364 WeakPolarHBondContact O-CZ 3.2Å; D343-R379 HydrophobicContact CB-CG 4.47Å
344Q94.6Very high91.6Very high62 Ų6260.3 Ų60.329%0.2930%0.298SS..Hα-helixtrans-61-35.7178.9-68.7-17819.900112.6D346 L347 V348 I360 F364Q344-D346 VanDerWaalsContact C-N 3.28Å; Q344-D346 PolarHBondContact O-N 2.97Å; Q344-L347 PolarHBondContact O-N 3.46Å; Q344-V348 WeakPolarHBondContact O-CG2 3.44Å; Q344-V348 PolarHBondContact O-N 3.05Å; Q344-I360 HydrophobicContact CB-CG2 4.05Å; Q344-I360 HydrophobicContact CG-CG2 4.08Å; Q344-F364 HydrophobicContact CB-CE2 4.38Å; Q344-F364 HydrophobicContact CG-CB 4.26Å; Q344-F364 HydrophobicContact CG-CD1 3.93Å; Q344-F364 HydrophobicContact CG-CD2 3.55Å; Q344-F364 HydrophobicContact CG-CE1 4.08Å; Q344-F364 HydrophobicContact CG-CE2 3.72Å; Q344-F364 HydrophobicContact CG-CG 3.64Å; Q344-F364 HydrophobicContact CG-CZ 3.99Å
345K93.1Very high91.4Very high153 Ų15360.5 Ų60.567%0.66530%0.299SS*.Hα-helixtrans-70.7-30.2179.9-56.3171.9-178164.70111.2D343 R349D343-K345 VanDerWaalsContact C-N 3.26Å; D343-K345 PolarHBondContact O-N 3.17Å; D343-K345 VanDerWaalsContact OD1-CA 3.3Å; D343-K345 WeakPolarHBondContact OD1-CA 3.37Å; D343-K345 WeakPolarHBondContact OD1-CB 3.42Å; D343-K345 PolarHBondContact OD1-N 3.42Å; K345-R349 PolarHBondContact O-NH1 3.21Å
346D95Very high91.1Very high23 Ų2360.3 Ų60.312%0.12330%0.298CS..Hα-helixtrans-68-52.2171.9-55.4-35.9000109.9L334 I342 D343 Q344 V348 R349L334-D346 HydrophobicContact CB-CB 4.47Å; I342-D346 HydrophobicContact CB-CB 3.88Å; I342-D346 HydrophobicContact CG2-CB 4.24Å; D343-D346 PolarHBondContact N-OD2 3.48Å; D343-D346 PolarHBondContact O-N 2.9Å; D343-D346 PolarHBondContact OD1-N 2.98Å; Q344-D346 VanDerWaalsContact C-N 3.28Å; Q344-D346 PolarHBondContact O-N 2.97Å; D346-V348 VanDerWaalsContact C-N 3.26Å; D346-V348 PolarHBondContact O-N 3.23Å; D346-R349 WeakPolarHBondContact O-CB 3.42Å; D346-R349 PolarHBondContact O-N 2.89Å; D346-R349 IonicContact OD1-CZ 2.66Å; D346-R349 VanDerWaalsContact OD1-CZ 3.23Å; D346-R349 IonicContact OD1-NH1 3.8Å; D346-R349 PolarHBondContact OD1-NH1 3.45Å; D346-R349 IonicContact OD1-NH2 3.5Å; D346-R349 PolarHBondContact OD1-NH2 3.02Å
347L94.6Very high91.1Very high4 Ų459.5 Ų59.52%0.02129%0.285CS..Hα-helixtrans-62.6-31.7-178.1-164.760.7000113.4L334 I342 D343 Q344 R349 H350 I360 I363 F364 L380 F385 F388L334-L347 HydrophobicContact CD1-CD1 4.35Å; I342-L347 HydrophobicContact CD1-CD1 4.07Å; D343-L347 PolarHBondContact O-N 3.21Å; Q344-L347 PolarHBondContact O-N 3.46Å; L347-R349 PolarHBondContact O-N 2.67Å; L347-H350 HydrophobicContact CD1-CB 4.44Å; L347-H350 WeakPolarHBondContact O-CB 3.43Å; L347-H350 PolarHBondContact O-N 2.91Å; L347-H350 VanDerWaalsContact O-N 3.1Å; L347-I360 HydrophobicContact CB-CG2 4.4Å; L347-I360 HydrophobicContact CD2-CG1 4.38Å; L347-I360 HydrophobicContact CD2-CG2 4.27Å; L347-I363 HydrophobicContact CD2-CD1 4Å; L347-F364 HydrophobicContact CB-CE2 4.27Å; L347-F364 HydrophobicContact CD2-CE2 3.78Å; L347-L380 HydrophobicContact CD2-CD1 4.12Å; L347-F385 HydrophobicContact CD1-CE2 4.45Å; L347-F388 HydrophobicContact CD1-CD1 3.97Å; L347-F388 HydrophobicContact CD1-CE1 3.56Å; L347-F388 HydrophobicContact CD1-CE2 4.23Å; L347-F388 HydrophobicContact CD1-CG 4.48Å; L347-F388 HydrophobicContact CD1-CZ 3.69Å; L347-F388 HydrophobicContact CD2-CD2 4.41Å; L347-F388 HydrophobicContact CD2-CE2 4.18Å; L347-F388 HydrophobicContact CD2-CZ 4.42Å; L347-F388 HydrophobicContact CG-CZ 4.29Å
348V92.5Very high91.2Very high22 Ų2256.3 Ų56.313%0.13327%0.266CS..Hα-helixtrans-58-31.6174164.60000112.5Q344 D346 H350 Q353 I360Q344-V348 WeakPolarHBondContact O-CG2 3.44Å; Q344-V348 PolarHBondContact O-N 3.05Å; D346-V348 VanDerWaalsContact C-N 3.26Å; D346-V348 PolarHBondContact O-N 3.23Å; V348-H350 PolarHBondContact O-N 2.97Å; V348-Q353 HydrophobicContact CG1-CG 4.05Å; V348-Q353 VanDerWaalsContact CG1-NE2 3.29Å; V348-Q353 VanDerWaalsContact O-CA 3.29Å; V348-Q353 WeakPolarHBondContact O-CA 3.15Å; V348-Q353 WeakPolarHBondContact O-CG 3.04Å; V348-Q353 PolarHBondContact O-N 3.36Å; V348-I360 HydrophobicContact CB-CD1 4.23Å; V348-I360 HydrophobicContact CG2-CD1 3.52Å
349R90.2Very high91.3Very high112 Ų11251.7 Ų51.742%0.42325%0.245SC..THydrogen-bonded Turntrans-76.1-11.1-179.4-60.6-172.2-60-91.510.7113L334 K345 D346 L347 N351L334-R349 HydrophobicContact CD2-CB 4.3Å; L334-R349 PolarHBondContact O-NH2 3.19Å; L334-R349 VanDerWaalsContact O-NH2 3.08Å; K345-R349 PolarHBondContact O-NH1 3.21Å; D346-R349 WeakPolarHBondContact O-CB 3.42Å; D346-R349 PolarHBondContact O-N 2.89Å; D346-R349 IonicContact OD1-CZ 2.66Å; D346-R349 VanDerWaalsContact OD1-CZ 3.23Å; D346-R349 IonicContact OD1-NH1 3.8Å; D346-R349 PolarHBondContact OD1-NH1 3.45Å; D346-R349 IonicContact OD1-NH2 3.5Å; D346-R349 PolarHBondContact OD1-NH2 3.02Å; L347-R349 PolarHBondContact O-N 2.67Å; R349-N351 PolarHBondContact O-N 2.94Å
350H89.9Confident91.5Very high11 Ų1149.5 Ų49.55%0.05123%0.233CC..G310 helixtrans-65.1132.3177.9-176.562.4000111.3L334 L347 V348 D352 Q353 F388 I389L334-H350 HydrophobicContact CD1-CB 4.16Å; L334-H350 HydrophobicContact CD2-CB 4.26Å; L347-H350 HydrophobicContact CD1-CB 4.44Å; L347-H350 WeakPolarHBondContact O-CB 3.43Å; L347-H350 PolarHBondContact O-N 2.91Å; L347-H350 VanDerWaalsContact O-N 3.1Å; V348-H350 PolarHBondContact O-N 2.97Å; H350-D352 VanDerWaalsContact C-N 3.34Å; H350-D352 PolarHBondContact O-N 3.09Å; H350-Q353 PolarHBondContact O-N 3.48Å; H350-F388 AromaticContact CD2-CE1 3.63Å; H350-F388 AromaticContact CD2-CZ 3.69Å; H350-F388 AromaticContact NE2-CE1 3.81Å; H350-I389 WeakPolarHBondContact CE1-CD1 3.47Å; H350-I389 WeakPolarHBondContact NE2-CD1 3.26Å
351N84.3Confident91.6Very high41 Ų4150.3 Ų50.322%0.21924%0.235CC..G310 helixtrans43.554.4-179.9-66-9.9000112.8R349 Q353 A354 E393R349-N351 PolarHBondContact O-N 2.94Å; N351-Q353 PolarHBondContact O-N 2.73Å; N351-Q353 VanDerWaalsContact O-N 3.09Å; N351-A354 HydrophobicContact CB-CB 4.06Å; N351-A354 WeakPolarHBondContact O-CB 3.18Å; N351-A354 PolarHBondContact O-N 3.27Å; N351-E393 PolarHBondContact ND2-OE1 3.09Å
352D82.3Confident91.7Very high157 Ų15747.7 Ų47.784%0.8422%0.224SC*.G310 helixtrans5040.6176.8-68.4-34000114.8H350 A354H350-D352 VanDerWaalsContact C-N 3.34Å; H350-D352 PolarHBondContact O-N 3.09Å; D352-A354 VanDerWaalsContact C-N 3.31Å; D352-A354 PolarHBondContact O-N 3.14Å
353Q84.9Confident91.7Very high118 Ų11847.7 Ų47.755%0.55122%0.224SC*.G310 helixtrans63.933-178.5-36.8-173.2-54.300113.2V348 H350 N351 I355 K431V348-Q353 HydrophobicContact CG1-CG 4.05Å; V348-Q353 VanDerWaalsContact CG1-NE2 3.29Å; V348-Q353 VanDerWaalsContact O-CA 3.29Å; V348-Q353 WeakPolarHBondContact O-CA 3.15Å; V348-Q353 WeakPolarHBondContact O-CG 3.04Å; V348-Q353 PolarHBondContact O-N 3.36Å; H350-Q353 PolarHBondContact O-N 3.48Å; N351-Q353 PolarHBondContact O-N 2.73Å; N351-Q353 VanDerWaalsContact O-N 3.09Å; Q353-I355 VanDerWaalsContact C-N 3.29Å; Q353-I355 PolarHBondContact O-N 2.87Å; Q353-K431 PolarHBondContact O-NZ 3.11Å
354A84.8Confident91.7Very high3 Ų345.8 Ų45.83%0.02521%0.214CC..  trans-55.4-43.4179.100000112.3N351 D352 K431 I482 E483N351-A354 HydrophobicContact CB-CB 4.06Å; N351-A354 WeakPolarHBondContact O-CB 3.18Å; N351-A354 PolarHBondContact O-N 3.27Å; D352-A354 VanDerWaalsContact C-N 3.31Å; D352-A354 PolarHBondContact O-N 3.14Å; A354-K431 PolarHBondContact O-NZ 3.08Å; A354-I482 PolarHBondContact O-N 3.06Å; A354-E483 HydrophobicContact CB-CB 4.32Å
355I90.6Very high91.6Very high11 Ų1144.6 Ų44.66%0.05621%0.212CC..BIsolated β-bridgetrans-81141.8179.9-57.3179.2000111.2Q353 L359 I360 F388 E392 W404 K431 F480Q353-I355 VanDerWaalsContact C-N 3.29Å; Q353-I355 PolarHBondContact O-N 2.87Å; I355-L359 HydrophobicContact CG2-CB 3.94Å; I355-L359 HydrophobicContact CG2-CD2 3.54Å; I355-L359 HydrophobicContact CG2-CG 4.27Å; I355-I360 HydrophobicContact CG2-CG1 4.07Å; I355-F388 HydrophobicContact CD1-CE2 3.46Å; I355-F388 VanDerWaalsContact CD1-CE2 3.46Å; I355-F388 HydrophobicContact CD1-CZ 3.5Å; I355-E392 HydrophobicContact CD1-CG 3.67Å; I355-E392 HydrophobicContact CG1-CG 4.5Å; I355-W404 HydrophobicContact CD1-CH2 4.34Å; I355-K431 VanDerWaalsContact C-NZ 3.28Å; I355-K431 PolarHBondContact O-NZ 2.87Å; I355-F480 WeakPolarHBondContact CA-O 3.3Å
356S89.3Confident91.4Very high0 Ų038.9 Ų38.90%020%0.196CC..  trans-66.7144.5176.771.70000113.2K358 L359 I360 E427 F480S356-K358 VanDerWaalsContact C-N 3.3Å; S356-K358 PolarHBondContact O-N 3.33Å; S356-L359 PolarHBondContact O-N 2.98Å; S356-L359 VanDerWaalsContact O-N 3.09Å; S356-L359 WeakPolarHBondContact OG-CB 3.28Å; S356-L359 PolarHBondContact OG-N 3.38Å; S356-I360 PolarHBondContact O-N 3.42Å; S356-E427 WeakPolarHBondContact CA-OE1 3.49Å; S356-E427 WeakPolarHBondContact CB-OE2 3.33Å; S356-F480 PolarHBondContact N-O 3.04Å; S356-F480 VanDerWaalsContact N-O 3.12Å
357Q92.2Very high91.3Very high66 Ų6639.4 Ų39.431%0.30820%0.201SC..Hα-helixtrans-59.6-41.6177.3179.862.737.300110.9L359 I360 E361 E427Q357-L359 PolarHBondContact O-N 3.3Å; Q357-I360 PolarHBondContact O-N 2.93Å; Q357-E361 WeakPolarHBondContact O-CG 3.28Å; Q357-E361 PolarHBondContact O-N 3.06Å; Q357-E427 WeakPolarHBondContact CB-OE1 3.42Å; Q357-E427 PolarHBondContact N-OE1 3.22Å; Q357-E427 PolarHBondContact N-OE2 3.23Å
358K95.1Very high91.3Very high34 Ų3440 Ų4015%0.14820%0.204CC..Hα-helixtrans-55.4-41174.7-73170.6-177.61670111.1S356 R362 Y423 F424 D426 E427S356-K358 VanDerWaalsContact C-N 3.3Å; S356-K358 PolarHBondContact O-N 3.33Å; K358-R362 WeakPolarHBondContact O-CG 3.27Å; K358-R362 PolarHBondContact O-N 3.42Å; K358-Y423 HydrophobicContact CB-CE1 3.91Å; K358-Y423 HydrophobicContact CD-CD1 4.21Å; K358-Y423 HydrophobicContact CD-CD2 4.37Å; K358-Y423 HydrophobicContact CD-CE1 3.78Å; K358-Y423 HydrophobicContact CD-CE2 3.94Å; K358-Y423 VanDerWaalsContact CD-O 3.31Å; K358-Y423 WeakPolarHBondContact CD-O 3.39Å; K358-Y423 WeakPolarHBondContact CE-O 3.48Å; K358-Y423 HydrophobicContact CG-CE1 4Å; K358-Y423 HydrophobicContact CG-CE2 4.39Å; K358-Y423 WeakPolarHBondContact CG-OH 3.23Å; K358-Y423 PolarHBondContact NZ-O 3.43Å; K358-F424 HydrophobicContact CB-CD1 4.11Å; K358-F424 HydrophobicContact CB-CE1 4.12Å; K358-D426 IonicContact NZ-OD2 2.87Å; K358-D426 PolarHBondContact NZ-OD2 2.87Å; K358-E427 VanDerWaalsContact CB-OE2 3.25Å; K358-E427 WeakPolarHBondContact CB-OE2 3.43Å; K358-E427 HydrophobicContact CD-CB 4.04Å; K358-E427 WeakPolarHBondContact CD-OE2 3.39Å; K358-E427 WeakPolarHBondContact CG-OE2 3.34Å; K358-E427 PolarHBondContact N-OE2 3.1Å
359L95.5Very high91.1Very high0 Ų039.8 Ų39.80%020%0.203CC..Hα-helixtrans-74.2-37.1178.9-163.779.5000112.5I355 S356 Q357 E361 R362 I363 W404 C407 M408 F424 F480I355-L359 HydrophobicContact CG2-CB 3.94Å; I355-L359 HydrophobicContact CG2-CD2 3.54Å; I355-L359 HydrophobicContact CG2-CG 4.27Å; S356-L359 PolarHBondContact O-N 2.98Å; S356-L359 VanDerWaalsContact O-N 3.09Å; S356-L359 WeakPolarHBondContact OG-CB 3.28Å; S356-L359 PolarHBondContact OG-N 3.38Å; Q357-L359 PolarHBondContact O-N 3.3Å; L359-E361 VanDerWaalsContact C-N 3.29Å; L359-E361 PolarHBondContact O-N 2.81Å; L359-R362 WeakPolarHBondContact O-CA 3.5Å; L359-R362 WeakPolarHBondContact O-CB 3.36Å; L359-R362 PolarHBondContact O-N 3.22Å; L359-I363 PolarHBondContact O-N 3.28Å; L359-W404 HydrophobicContact CD2-CE3 3.68Å; L359-W404 HydrophobicContact CD2-CH2 4.28Å; L359-W404 HydrophobicContact CD2-CZ3 3.36Å; L359-W404 HydrophobicContact CG-CE3 4.37Å; L359-W404 HydrophobicContact CG-CZ3 4.09Å; L359-C407 HydrophobicContact CD1-CB 3.79Å; L359-M408 HydrophobicContact CD1-CG 4.38Å; L359-F424 HydrophobicContact CB-CE1 4.38Å; L359-F424 HydrophobicContact CD1-CD1 4.38Å; L359-F424 HydrophobicContact CD1-CE1 3.9Å; L359-F424 HydrophobicContact CD1-CZ 4.33Å; L359-F480 HydrophobicContact CB-CB 4.34Å; L359-F480 HydrophobicContact CD1-CD1 4.04Å; L359-F480 HydrophobicContact CD1-CE1 4.36Å; L359-F480 HydrophobicContact CD1-CG 4.29Å; L359-F480 HydrophobicContact CD2-CB 3.85Å; L359-F480 HydrophobicContact CD2-CD1 3.85Å; L359-F480 HydrophobicContact CD2-CD2 3.24Å; L359-F480 HydrophobicContact CD2-CE1 4.11Å; L359-F480 HydrophobicContact CD2-CE2 3.55Å; L359-F480 HydrophobicContact CD2-CG 3.39Å; L359-F480 HydrophobicContact CD2-CZ 3.95Å; L359-F480 HydrophobicContact CG-CB 4.49Å; L359-F480 HydrophobicContact CG-CG 4.33Å
360I95.2Very high90.4Very high3 Ų339.2 Ų39.22%0.01520%0.201CC..Hα-helixtrans-57.5-45.9172.9-70.3171.6000109.8Q344 L347 V348 I355 S356 Q357 R362 I363 F364Q344-I360 HydrophobicContact CB-CG2 4.05Å; Q344-I360 HydrophobicContact CG-CG2 4.08Å; L347-I360 HydrophobicContact CB-CG2 4.4Å; L347-I360 HydrophobicContact CD2-CG1 4.38Å; L347-I360 HydrophobicContact CD2-CG2 4.27Å; V348-I360 HydrophobicContact CB-CD1 4.23Å; V348-I360 HydrophobicContact CG2-CD1 3.52Å; I355-I360 HydrophobicContact CG2-CG1 4.07Å; S356-I360 PolarHBondContact O-N 3.42Å; Q357-I360 PolarHBondContact O-N 2.93Å; I360-R362 PolarHBondContact O-N 2.9Å; I360-I363 WeakPolarHBondContact O-CB 3.31Å; I360-I363 PolarHBondContact O-N 3.1Å; I360-F364 HydrophobicContact CG2-CD2 4.22Å; I360-F364 HydrophobicContact CG2-CE2 4.08Å; I360-F364 VanDerWaalsContact O-CD2 3.3Å; I360-F364 WeakPolarHBondContact O-CD2 3.49Å; I360-F364 PolarHBondContact O-N 3.03Å
361E94.9Very high89.7Confident89 Ų8942.5 Ų42.542%0.41622%0.219SC..Hα-helixtrans-57.2-35.9174.5-70.8174.1-166.800112.7Q357 L359 F364 S365Q357-E361 WeakPolarHBondContact O-CG 3.28Å; Q357-E361 PolarHBondContact O-N 3.06Å; L359-E361 VanDerWaalsContact C-N 3.29Å; L359-E361 PolarHBondContact O-N 2.81Å; E361-F364 PolarHBondContact O-N 3.09Å; E361-S365 PolarHBondContact O-N 3.08Å; E361-S365 VanDerWaalsContact O-N 3.1Å
362R95.9Very high88.9Confident45 Ų4550.8 Ų50.817%0.1725%0.247CC..Hα-helixtrans-66.7-38175.6-64.6-62.2-63.3154.6-6.5112.7K358 L359 I360 F364 S365 T367 C407 D409 L410 F424K358-R362 WeakPolarHBondContact O-CG 3.27Å; K358-R362 PolarHBondContact O-N 3.42Å; L359-R362 WeakPolarHBondContact O-CA 3.5Å; L359-R362 WeakPolarHBondContact O-CB 3.36Å; L359-R362 PolarHBondContact O-N 3.22Å; I360-R362 PolarHBondContact O-N 2.9Å; R362-F364 VanDerWaalsContact C-N 3.28Å; R362-F364 PolarHBondContact O-N 3.43Å; R362-S365 PolarHBondContact NH1-OG 3.2Å; R362-S365 VanDerWaalsContact O-CB 3.31Å; R362-S365 WeakPolarHBondContact O-CB 3.35Å; R362-S365 PolarHBondContact O-N 3.24Å; R362-S365 VanDerWaalsContact O-N 3.11Å; R362-S365 PolarHBondContact O-OG 3.43Å; R362-T367 VanDerWaalsContact O-CG2 3.32Å; R362-T367 WeakPolarHBondContact O-CG2 3.5Å; R362-C407 HydrophobicContact CB-CB 4.08Å; R362-C407 WeakPolarHBondContact CG-O 3.45Å; R362-C407 PolarHBondContact NE-O 3.4Å; R362-D409 PolarHBondContact NH2-O 2.96Å; R362-L410 VanDerWaalsContact CD-CD2 3.49Å; R362-L410 HydrophobicContact CG-CD2 4.24Å; R362-F424 HydrophobicContact CG-CE1 4.21Å; R362-F424 HydrophobicContact CG-CZ 4.01Å
363I95.6Very high88.4Confident1 Ų150.5 Ų50.51%0.00523%0.234CC..Hα-helixtrans-59.5-43.4175.4-64.4166.4000110.3L347 L359 I360 S365 V368 L380 F388 Y403 W404L347-I363 HydrophobicContact CD2-CD1 4Å; L359-I363 PolarHBondContact O-N 3.28Å; I360-I363 WeakPolarHBondContact O-CB 3.31Å; I360-I363 PolarHBondContact O-N 3.1Å; I363-S365 VanDerWaalsContact C-N 3.27Å; I363-S365 PolarHBondContact O-N 3.18Å; I363-V368 HydrophobicContact CG2-CG2 4.22Å; I363-L380 HydrophobicContact CG2-CD1 3.73Å; I363-L380 HydrophobicContact CG2-CD2 4.23Å; I363-F388 HydrophobicContact CD1-CD2 3.67Å; I363-F388 HydrophobicContact CD1-CE2 3.73Å; I363-Y403 HydrophobicContact CG1-CE1 4.4Å; I363-W404 HydrophobicContact CD1-CH2 4.29Å; I363-W404 HydrophobicContact CD1-CZ3 4.15Å; I363-W404 HydrophobicContact CG1-CZ3 4.47Å
364F94.9Very high87.9Confident7 Ų745.1 Ų45.13%0.03121%0.21CC..THydrogen-bonded Turntrans-78.9-5.6179.5-73.6-103.7000114D343 Q344 L347 I360 E361 R362 G366 G378 L380D343-F364 WeakPolarHBondContact O-CZ 3.2Å; Q344-F364 HydrophobicContact CB-CE2 4.38Å; Q344-F364 HydrophobicContact CG-CB 4.26Å; Q344-F364 HydrophobicContact CG-CD1 3.93Å; Q344-F364 HydrophobicContact CG-CD2 3.55Å; Q344-F364 HydrophobicContact CG-CE1 4.08Å; Q344-F364 HydrophobicContact CG-CE2 3.72Å; Q344-F364 HydrophobicContact CG-CG 3.64Å; Q344-F364 HydrophobicContact CG-CZ 3.99Å; L347-F364 HydrophobicContact CB-CE2 4.27Å; L347-F364 HydrophobicContact CD2-CE2 3.78Å; I360-F364 HydrophobicContact CG2-CD2 4.22Å; I360-F364 HydrophobicContact CG2-CE2 4.08Å; I360-F364 VanDerWaalsContact O-CD2 3.3Å; I360-F364 WeakPolarHBondContact O-CD2 3.49Å; I360-F364 PolarHBondContact O-N 3.03Å; E361-F364 PolarHBondContact O-N 3.09Å; R362-F364 VanDerWaalsContact C-N 3.28Å; R362-F364 PolarHBondContact O-N 3.43Å; F364-G366 PolarHBondContact O-N 3.39Å; F364-G378 WeakPolarHBondContact CD1-O 3.48Å; F364-G378 VanDerWaalsContact CE1-O 3.29Å; F364-G378 WeakPolarHBondContact CE1-O 3.3Å; F364-L380 HydrophobicContact CD1-CG 4.1Å; F364-L380 HydrophobicContact CD2-CD1 4.15Å; F364-L380 HydrophobicContact CD2-CG 4.41Å; F364-L380 HydrophobicContact CE1-CB 4.39Å; F364-L380 HydrophobicContact CE1-CD1 4.09Å; F364-L380 HydrophobicContact CE1-CG 3.63Å; F364-L380 HydrophobicContact CE2-CD1 3.52Å; F364-L380 HydrophobicContact CE2-CG 3.98Å; F364-L380 HydrophobicContact CG-CG 4.49Å; F364-L380 HydrophobicContact CZ-CB 4.38Å; F364-L380 HydrophobicContact CZ-CD1 3.48Å; F364-L380 VanDerWaalsContact CZ-CD1 3.48Å; F364-L380 HydrophobicContact CZ-CG 3.56Å
365S92.7Very high87.3Confident37 Ų3752.9 Ų52.926%0.25924%0.239SC..THydrogen-bonded Turntrans-74.5-11-178.175.20000114.5E361 R362 I363 Y375E361-S365 PolarHBondContact O-N 3.08Å; E361-S365 VanDerWaalsContact O-N 3.1Å; R362-S365 PolarHBondContact NH1-OG 3.2Å; R362-S365 VanDerWaalsContact O-CB 3.31Å; R362-S365 WeakPolarHBondContact O-CB 3.35Å; R362-S365 PolarHBondContact O-N 3.24Å; R362-S365 VanDerWaalsContact O-N 3.11Å; R362-S365 PolarHBondContact O-OG 3.43Å; I363-S365 VanDerWaalsContact C-N 3.27Å; I363-S365 PolarHBondContact O-N 3.18Å; S365-Y375 WeakPolarHBondContact O-CD2 3.2Å
366G89.9Confident86.5Confident32 Ų3260.6 Ų60.633%0.3327%0.272SS..THydrogen-bonded Turntrans91.43.6-173.800000114.9F364 V368 T369F364-G366 PolarHBondContact O-N 3.39Å; G366-V368 VanDerWaalsContact C-N 3.35Å; G366-T369 WeakPolarHBondContact CA-OG1 3.44Å
367T92.1Very high86.2Confident35 Ų3565.6 Ų65.622%0.21530%0.296CS..SBendtrans-71.2-28.9-178.6-1640000113.5R362 R406R362-T367 VanDerWaalsContact O-CG2 3.32Å; R362-T367 WeakPolarHBondContact O-CG2 3.5Å; T367-R406 HydrophobicContact CG2-CB 4.5Å; T367-R406 WeakPolarHBondContact CG2-O 3.43Å; T367-R406 PolarHBondContact OG1-O 2.84Å
368V94.1Very high86Confident15 Ų1563.8 Ų63.89%0.09130%0.295CS..SBendtrans-118.7-4.4-179.5-72.30000113.9I363 G366 Y403 R406I363-V368 HydrophobicContact CG2-CG2 4.22Å; G366-V368 VanDerWaalsContact C-N 3.35Å; V368-Y403 HydrophobicContact CB-CD2 3.9Å; V368-Y403 HydrophobicContact CB-CE2 3.61Å; V368-Y403 HydrophobicContact CB-CG 4.48Å; V368-Y403 HydrophobicContact CG1-CD1 4.13Å; V368-Y403 HydrophobicContact CG1-CD2 3.8Å; V368-Y403 HydrophobicContact CG1-CE1 4.24Å; V368-Y403 HydrophobicContact CG1-CE2 3.93Å; V368-Y403 HydrophobicContact CG1-CG 3.89Å; V368-Y403 WeakPolarHBondContact CG1-O 3.45Å; V368-Y403 HydrophobicContact CG2-CE1 4.26Å; V368-Y403 HydrophobicContact CG2-CE2 3.82Å; V368-R406 HydrophobicContact CG1-CB 4Å
369T88.9Confident85.9Confident19 Ų1966.9 Ų66.912%0.11731%0.306CS..  trans-103.5146.417961.70000111.6G366 V374 L380 D384G366-T369 WeakPolarHBondContact CA-OG1 3.44Å; T369-V374 HydrophobicContact CG2-CB 4.35Å; T369-V374 HydrophobicContact CG2-CG1 4Å; T369-V374 HydrophobicContact CG2-CG2 4.07Å; T369-L380 HydrophobicContact CG2-CD2 3.64Å; T369-D384 HydrophobicContact CG2-CB 4.33Å
370R75.2Confident85.8Confident100 Ų10067 Ų6738%0.37731%0.306SS..SBendtrans-87-36.4179.8-74.1-175163.9152.29.2112.7N282 W285 G287 R372N282-R370 PolarHBondContact OD1-NH2 3.26Å; W285-R370 VanDerWaalsContact C-NH2 3.3Å; W285-R370 PolarHBondContact O-NH2 3.18Å; G287-R370 VanDerWaalsContact CA-NH1 3.27Å; R370-R372 PolarHBondContact O-N 3.31Å
371D74.3Confident85.8Confident79 Ų7968.3 Ų68.342%0.42232%0.316SS..  trans-79.9121.8-179.9-163.3-14.9000110R373 V374D371-R373 PolarHBondContact O-N 3.45Å; D371-R373 VanDerWaalsContact O-N 3.14Å; D371-R373 WeakPolarHBondContact OD1-CB 3.46Å; D371-R373 VanDerWaalsContact OD1-CG 3.28Å; D371-R373 WeakPolarHBondContact OD1-CG 3.38Å; D371-R373 PolarHBondContact OD1-N 3.11Å; D371-R373 WeakPolarHBondContact OD2-CD 3.22Å; D371-R373 IonicContact OD2-NE 2.73Å; D371-V374 PolarHBondContact O-N 3.28Å
372R68.4Low85.8Confident215 Ų21564.2 Ų64.281%0.81130%0.297SS*.THydrogen-bonded Turntrans-64.6-13.9174.7-64-176.5178.3-170.8-1112.3R370 V374R370-R372 PolarHBondContact O-N 3.31Å; R372-V374 VanDerWaalsContact C-N 3.31Å
373R71Confident85.8Confident152 Ų15263 Ų6357%0.57430%0.297SS*.Hα-helixtrans-64.2-33.9173.6-68179.8-161.2-139.94.2112.5D371 Y375 K376 E377D371-R373 PolarHBondContact O-N 3.45Å; D371-R373 VanDerWaalsContact O-N 3.14Å; D371-R373 WeakPolarHBondContact OD1-CB 3.46Å; D371-R373 VanDerWaalsContact OD1-CG 3.28Å; D371-R373 WeakPolarHBondContact OD1-CG 3.38Å; D371-R373 PolarHBondContact OD1-N 3.11Å; D371-R373 WeakPolarHBondContact OD2-CD 3.22Å; D371-R373 IonicContact OD2-NE 2.73Å; R373-Y375 VanDerWaalsContact C-N 3.32Å; R373-Y375 PolarHBondContact O-N 3.35Å; R373-K376 PolarHBondContact O-N 3.33Å; R373-E377 WeakPolarHBondContact O-CB 3.49Å; R373-E377 PolarHBondContact O-N 3.23Å
374V75.2Confident85.9Confident5 Ų564.3 Ų64.33%0.0330%0.303CS..Hα-helixtrans-54.4-49.3179.4175.30000111.3T369 D371 R372 K376 G378 L380T369-V374 HydrophobicContact CG2-CB 4.35Å; T369-V374 HydrophobicContact CG2-CG1 4Å; T369-V374 HydrophobicContact CG2-CG2 4.07Å; D371-V374 PolarHBondContact O-N 3.28Å; R372-V374 VanDerWaalsContact C-N 3.31Å; V374-K376 VanDerWaalsContact C-N 3.3Å; V374-K376 PolarHBondContact O-N 3.09Å; V374-G378 WeakPolarHBondContact O-CA 3.38Å; V374-G378 PolarHBondContact O-N 2.99Å; V374-L380 HydrophobicContact CG1-CD2 3.58Å; V374-L380 HydrophobicContact CG1-CG 4.49Å; V374-L380 HydrophobicContact CG2-CD2 4.39Å
375Y71.5Confident86Confident166 Ų16664 Ų6465%0.65130%0.302SS*.Hα-helixtrans-64.1-34.7178.3175.3-103.1000112.9S365 R373S365-Y375 WeakPolarHBondContact O-CD2 3.2Å; R373-Y375 VanDerWaalsContact C-N 3.32Å; R373-Y375 PolarHBondContact O-N 3.35Å
376K74.9Confident86.3Confident172 Ų17262.2 Ų62.275%0.74829%0.29SS*.Hα-helixtrans-80.5-36.7-176.8-71.1-175.1176-175.10113.1R373 V374R373-K376 PolarHBondContact O-N 3.33Å; V374-K376 VanDerWaalsContact C-N 3.3Å; V374-K376 PolarHBondContact O-N 3.09Å
377E83.5Confident86.7Confident105 Ų10561.7 Ų61.749%0.49128%0.278SS..Hα-helixtrans-100.9-15.1-171.4-64.8172.4-164.600111.7R373 R379R373-E377 WeakPolarHBondContact O-CB 3.49Å; R373-E377 PolarHBondContact O-N 3.23Å; E377-R379 VanDerWaalsContact C-N 3.28Å; E377-R379 PolarHBondContact O-N 2.74Å
378G87.6Confident87Confident29 Ų2960.1 Ų60.130%0.29927%0.268SS..THydrogen-bonded Turntrans6828.8178.400000113.1F364 V374F364-G378 WeakPolarHBondContact CD1-O 3.48Å; F364-G378 VanDerWaalsContact CE1-O 3.29Å; F364-G378 WeakPolarHBondContact CE1-O 3.3Å; V374-G378 WeakPolarHBondContact O-CA 3.38Å; V374-G378 PolarHBondContact O-N 2.99Å
379R91.6Very high87.1Confident99 Ų9959.4 Ų59.437%0.37426%0.264SS..EExtended strand (participates in β ladder)trans-135.1136.8-172.4-73.6179.3179.5-149.7-12.4110.7D339 Y341 I342 D343 E377D339-R379 IonicContact OD2-CZ 3.54Å; D339-R379 IonicContact OD2-NH1 3.27Å; D339-R379 PolarHBondContact OD2-NH1 3.02Å; D339-R379 IonicContact OD2-NH2 2.77Å; Y341-R379 HydrophobicContact CD1-CB 4.19Å; Y341-R379 HydrophobicContact CG-CB 4.4Å; I342-R379 CarbonylContact O-C 3.53Å; I342-R379 WeakPolarHBondContact O-CA 3.46Å; D343-R379 HydrophobicContact CB-CG 4.47Å; E377-R379 VanDerWaalsContact C-N 3.28Å; E377-R379 PolarHBondContact O-N 2.74Å
380L93.8Very high87.6Confident1 Ų159 Ų591%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-99136.5173.3-67.3171.5000109.6Y341 I342 L347 I363 F364 T369 V374 D384Y341-L380 CarbonylContact C-O 3.6Å; Y341-L380 WeakPolarHBondContact CA-O 3.48Å; I342-L380 HydrophobicContact CG1-CB 3.9Å; I342-L380 PolarHBondContact N-O 2.84Å; I342-L380 PolarHBondContact O-N 2.92Å; L347-L380 HydrophobicContact CD2-CD1 4.12Å; I363-L380 HydrophobicContact CG2-CD1 3.73Å; I363-L380 HydrophobicContact CG2-CD2 4.23Å; F364-L380 HydrophobicContact CD1-CG 4.1Å; F364-L380 HydrophobicContact CD2-CD1 4.15Å; F364-L380 HydrophobicContact CD2-CG 4.41Å; F364-L380 HydrophobicContact CE1-CB 4.39Å; F364-L380 HydrophobicContact CE1-CD1 4.09Å; F364-L380 HydrophobicContact CE1-CG 3.63Å; F364-L380 HydrophobicContact CE2-CD1 3.52Å; F364-L380 HydrophobicContact CE2-CG 3.98Å; F364-L380 HydrophobicContact CG-CG 4.49Å; F364-L380 HydrophobicContact CZ-CB 4.38Å; F364-L380 HydrophobicContact CZ-CD1 3.48Å; F364-L380 VanDerWaalsContact CZ-CD1 3.48Å; F364-L380 HydrophobicContact CZ-CG 3.56Å; T369-L380 HydrophobicContact CG2-CD2 3.64Å; V374-L380 HydrophobicContact CG1-CD2 3.58Å; V374-L380 HydrophobicContact CG1-CG 4.49Å; V374-L380 HydrophobicContact CG2-CD2 4.39Å; L380-D384 HydrophobicContact CB-CB 4.14Å; L380-D384 HydrophobicContact CD2-CB 3.85Å
381S95.1Very high88.7Confident31 Ų3154.3 Ų54.322%0.21724%0.243CC..EExtended strand (participates in β ladder)trans-75.8164.5171.570.50000111A383 D384 F385S381-A383 PolarHBondContact O-N 3.38Å; S381-A383 PolarHBondContact OG-N 3.33Å; S381-D384 WeakPolarHBondContact CB-OD2 3.43Å; S381-D384 PolarHBondContact N-OD2 3.29Å; S381-D384 PolarHBondContact O-N 3.38Å; S381-D384 PolarHBondContact OG-N 3.12Å; S381-D384 PolarHBondContact OG-OD2 3.22Å; S381-F385 PolarHBondContact O-N 2.99Å
382Y96.1Very high89.8Confident3 Ų350.6 Ų50.61%0.01222%0.223CC..Hα-helixtrans-50.9-39.4167.6178.4-114.7000113.2R268 T271 T272 I327 Y328 F331 L340 D384 F385 V386R268-Y382 HydrophobicContact CB-CE1 4.27Å; R268-Y382 VanDerWaalsContact NH1-CG 3.28Å; T271-Y382 HydrophobicContact CG2-CD1 4.12Å; T271-Y382 HydrophobicContact CG2-CE1 4.48Å; T272-Y382 WeakPolarHBondContact OG1-CE1 3.28Å; T272-Y382 PolarHBondContact OG1-OH 2.67Å; I327-Y382 HydrophobicContact CG2-CE2 4.17Å; Y328-Y382 HydrophobicContact CD2-CE2 4.27Å; F331-Y382 HydrophobicContact CB-CD2 3.86Å; F331-Y382 HydrophobicContact CB-CE2 3.89Å; F331-Y382 AromaticContact CD1-CD2 3.71Å; F331-Y382 HydrophobicContact CD1-CD2 3.71Å; F331-Y382 HydrophobicContact CD1-CE2 4.36Å; F331-Y382 AromaticContact CD2-CD2 3.83Å; F331-Y382 HydrophobicContact CD2-CD2 3.83Å; F331-Y382 HydrophobicContact CE1-CD2 4.2Å; F331-Y382 HydrophobicContact CE2-CD2 4.28Å; F331-Y382 AromaticContact CG-CD2 3.5Å; F331-Y382 HydrophobicContact CG-CD2 3.5Å; F331-Y382 HydrophobicContact CG-CE2 4.06Å; F331-Y382 HydrophobicContact CZ-CD2 4.47Å; L340-Y382 PolarHBondContact O-N 3.08Å; Y382-D384 VanDerWaalsContact C-N 3.34Å; Y382-D384 PolarHBondContact O-N 3.47Å; Y382-F385 WeakPolarHBondContact O-CB 3.49Å; Y382-F385 PolarHBondContact O-N 2.93Å; Y382-V386 HydrophobicContact CD1-CG2 4.43Å; Y382-V386 HydrophobicContact CE1-CG2 4.14Å; Y382-V386 HydrophobicContact CE2-CG2 4.4Å; Y382-V386 VanDerWaalsContact O-CG2 3.27Å; Y382-V386 WeakPolarHBondContact O-CG2 3.39Å; Y382-V386 PolarHBondContact O-N 3.23Å
383A96.4Very high91.1Very high21 Ų2141.2 Ų41.217%0.17419%0.188CC..Hα-helixtrans-63.4-40.5178.300000111.8T271 Q275 S381 F385 V386T271-A383 HydrophobicContact CG2-CB 4.24Å; Q275-A383 HydrophobicContact CG-CB 3.99Å; S381-A383 PolarHBondContact O-N 3.38Å; S381-A383 PolarHBondContact OG-N 3.33Å; A383-F385 VanDerWaalsContact C-N 3.35Å; A383-V386 PolarHBondContact O-N 3.29Å
384D96.8Very high92.4Very high27 Ų2734.4 Ų34.414%0.14416%0.163CC..Hα-helixtrans-67.4-37.6174.9-57.1-64000111.2T369 L380 S381 Y382 V386 W387 F388T369-D384 HydrophobicContact CG2-CB 4.33Å; L380-D384 HydrophobicContact CB-CB 4.14Å; L380-D384 HydrophobicContact CD2-CB 3.85Å; S381-D384 WeakPolarHBondContact CB-OD2 3.43Å; S381-D384 PolarHBondContact N-OD2 3.29Å; S381-D384 PolarHBondContact O-N 3.38Å; S381-D384 PolarHBondContact OG-N 3.12Å; S381-D384 PolarHBondContact OG-OD2 3.22Å; Y382-D384 VanDerWaalsContact C-N 3.34Å; Y382-D384 PolarHBondContact O-N 3.47Å; D384-V386 VanDerWaalsContact C-N 3.34Å; D384-V386 PolarHBondContact O-N 3.04Å; D384-W387 WeakPolarHBondContact O-CB 3.42Å; D384-W387 PolarHBondContact O-N 3.12Å; D384-F388 PolarHBondContact O-N 2.68Å
385F97.5Very high93.4Very high0 Ų034.4 Ų34.40%016%0.163CC..Hα-helixtrans-62.6-38.1175.5179.6-99.6000112.7I327 K330 F331 L334 I342 L347 S381 Y382 A383 W387 F388 I389I327-F385 HydrophobicContact CG2-CD1 4.49Å; K330-F385 HydrophobicContact CB-CE1 4.31Å; K330-F385 HydrophobicContact CB-CZ 4.09Å; F331-F385 HydrophobicContact CB-CD1 3.65Å; F331-F385 HydrophobicContact CB-CE1 3.63Å; F331-F385 HydrophobicContact CB-CG 4.42Å; F331-F385 HydrophobicContact CB-CZ 4.39Å; F331-F385 HydrophobicContact CD2-CB 3.66Å; F331-F385 AromaticContact CD2-CD1 3.63Å; F331-F385 HydrophobicContact CD2-CD1 3.63Å; F331-F385 HydrophobicContact CD2-CD2 4.22Å; F331-F385 HydrophobicContact CD2-CE1 4.31Å; F331-F385 AromaticContact CD2-CG 3.56Å; F331-F385 HydrophobicContact CD2-CG 3.56Å; F331-F385 HydrophobicContact CE2-CB 4.04Å; F331-F385 HydrophobicContact CE2-CG 4.37Å; F331-F385 HydrophobicContact CG-CD1 4.1Å; F331-F385 HydrophobicContact CG-CE1 4.49Å; F331-F385 HydrophobicContact CG-CG 4.46Å; L334-F385 HydrophobicContact CD1-CE2 3.7Å; L334-F385 HydrophobicContact CD1-CZ 4.23Å; I342-F385 HydrophobicContact CD1-CB 4.26Å; I342-F385 HydrophobicContact CD1-CD2 3.52Å; I342-F385 HydrophobicContact CD1-CE2 4.24Å; I342-F385 HydrophobicContact CD1-CG 4.21Å; L347-F385 HydrophobicContact CD1-CE2 4.45Å; S381-F385 PolarHBondContact O-N 2.99Å; Y382-F385 WeakPolarHBondContact O-CB 3.49Å; Y382-F385 PolarHBondContact O-N 2.93Å; A383-F385 VanDerWaalsContact C-N 3.35Å; F385-W387 VanDerWaalsContact C-N 3.25Å; F385-W387 PolarHBondContact O-N 3.33Å; F385-F388 AromaticContact CD2-CD1 3.75Å; F385-F388 HydrophobicContact CD2-CD1 3.75Å; F385-F388 HydrophobicContact CD2-CE1 4.44Å; F385-F388 AromaticContact CE2-CD1 3.7Å; F385-F388 HydrophobicContact CE2-CD1 3.7Å; F385-F388 HydrophobicContact CE2-CE1 4Å; F385-F388 WeakPolarHBondContact O-CB 3.46Å; F385-F388 PolarHBondContact O-N 3.41Å; F385-F388 VanDerWaalsContact O-N 3.09Å; F385-I389 HydrophobicContact CD1-CG2 4.44Å; F385-I389 HydrophobicContact CE1-CB 4.14Å; F385-I389 HydrophobicContact CE1-CG2 4.18Å; F385-I389 HydrophobicContact CZ-CB 4.14Å; F385-I389 HydrophobicContact CZ-CD1 4.42Å; F385-I389 HydrophobicContact CZ-CG1 4.42Å; F385-I389 WeakPolarHBondContact O-CG2 3.31Å; F385-I389 PolarHBondContact O-N 3.03Å
386V98.3Very high94.6Very high1 Ų130.4 Ų30.41%0.00615%0.149CC..Hα-helixtrans-56.5-41.7174.4179.60000111.3T272 Q275 R276 I327 Y382 A383 D384 I390T272-V386 HydrophobicContact CG2-CG1 4.26Å; T272-V386 HydrophobicContact CG2-CG2 4.46Å; Q275-V386 HydrophobicContact CB-CB 4.04Å; Q275-V386 HydrophobicContact CB-CG1 3.73Å; Q275-V386 HydrophobicContact CG-CB 4.18Å; Q275-V386 HydrophobicContact CG-CG1 4.4Å; Q275-V386 HydrophobicContact CG-CG2 4.42Å; R276-V386 HydrophobicContact CG-CG1 4.5Å; I327-V386 HydrophobicContact CD1-CG1 4.3Å; I327-V386 HydrophobicContact CG2-CB 4.41Å; I327-V386 HydrophobicContact CG2-CG2 3.77Å; Y382-V386 HydrophobicContact CD1-CG2 4.43Å; Y382-V386 HydrophobicContact CE1-CG2 4.14Å; Y382-V386 HydrophobicContact CE2-CG2 4.4Å; Y382-V386 VanDerWaalsContact O-CG2 3.27Å; Y382-V386 WeakPolarHBondContact O-CG2 3.39Å; Y382-V386 PolarHBondContact O-N 3.23Å; A383-V386 PolarHBondContact O-N 3.29Å; D384-V386 VanDerWaalsContact C-N 3.34Å; D384-V386 PolarHBondContact O-N 3.04Å; V386-I390 HydrophobicContact CG1-CD1 3.71Å; V386-I390 WeakPolarHBondContact O-CD1 3.32Å; V386-I390 VanDerWaalsContact O-CG1 3.24Å; V386-I390 WeakPolarHBondContact O-CG1 2.99Å; V386-I390 PolarHBondContact O-N 3.36Å
387W98.3Very high95.6Very high21 Ų2124.3 Ų24.38%0.0813%0.126CC..Hα-helixtrans-67.6-40.7176.2-77.769.9000112.1F278 Y279 W285 D384 F385 S391 T399 Y403F278-W387 HydrophobicContact CB-CZ2 3.94Å; Y279-W387 AromaticContact CD2-CD2 3.79Å; Y279-W387 HydrophobicContact CD2-CD2 3.79Å; Y279-W387 AromaticContact CD2-CE3 3.48Å; Y279-W387 HydrophobicContact CD2-CE3 3.48Å; Y279-W387 VanDerWaalsContact CD2-CE3 3.48Å; Y279-W387 HydrophobicContact CD2-CG 4.35Å; Y279-W387 HydrophobicContact CD2-CH2 4.36Å; Y279-W387 AromaticContact CD2-CZ3 3.79Å; Y279-W387 HydrophobicContact CD2-CZ3 3.79Å; Y279-W387 AromaticContact CE2-CE3 3.98Å; Y279-W387 HydrophobicContact CE2-CE3 3.98Å; Y279-W387 HydrophobicContact CE2-CZ3 4.42Å; W285-W387 HydrophobicContact CE3-CZ3 4.24Å; W285-W387 HydrophobicContact CH2-CE3 4.12Å; W285-W387 AromaticContact CH2-CZ3 3.86Å; W285-W387 HydrophobicContact CH2-CZ3 3.86Å; W285-W387 HydrophobicContact CZ2-CZ3 4.22Å; W285-W387 HydrophobicContact CZ3-CE3 4.15Å; W285-W387 AromaticContact CZ3-CZ3 3.87Å; W285-W387 HydrophobicContact CZ3-CZ3 3.87Å; D384-W387 WeakPolarHBondContact O-CB 3.42Å; D384-W387 PolarHBondContact O-N 3.12Å; F385-W387 VanDerWaalsContact C-N 3.25Å; F385-W387 PolarHBondContact O-N 3.33Å; W387-S391 VanDerWaalsContact O-CB 3.28Å; W387-S391 WeakPolarHBondContact O-CB 3.48Å; W387-S391 PolarHBondContact O-N 3.04Å; W387-S391 VanDerWaalsContact O-N 3.12Å; W387-S391 PolarHBondContact O-OG 3.37Å; W387-T399 HydrophobicContact CZ3-CG2 3.95Å; W387-Y403 HydrophobicContact CB-CE2 4.28Å
388F97.9Very high96.2Very high1 Ų122.6 Ų22.60%0.00412%0.121CC..Hα-helixtrans-58.9-57.3176.7164.2-98000111.4L347 H350 I355 I363 D384 F385 I390 S391 E392 W404L347-F388 HydrophobicContact CD1-CD1 3.97Å; L347-F388 HydrophobicContact CD1-CE1 3.56Å; L347-F388 HydrophobicContact CD1-CE2 4.23Å; L347-F388 HydrophobicContact CD1-CG 4.48Å; L347-F388 HydrophobicContact CD1-CZ 3.69Å; L347-F388 HydrophobicContact CD2-CD2 4.41Å; L347-F388 HydrophobicContact CD2-CE2 4.18Å; L347-F388 HydrophobicContact CD2-CZ 4.42Å; L347-F388 HydrophobicContact CG-CZ 4.29Å; H350-F388 AromaticContact CD2-CE1 3.63Å; H350-F388 AromaticContact CD2-CZ 3.69Å; H350-F388 AromaticContact NE2-CE1 3.81Å; I355-F388 HydrophobicContact CD1-CE2 3.46Å; I355-F388 VanDerWaalsContact CD1-CE2 3.46Å; I355-F388 HydrophobicContact CD1-CZ 3.5Å; I363-F388 HydrophobicContact CD1-CD2 3.67Å; I363-F388 HydrophobicContact CD1-CE2 3.73Å; D384-F388 PolarHBondContact O-N 2.68Å; F385-F388 AromaticContact CD2-CD1 3.75Å; F385-F388 HydrophobicContact CD2-CD1 3.75Å; F385-F388 HydrophobicContact CD2-CE1 4.44Å; F385-F388 AromaticContact CE2-CD1 3.7Å; F385-F388 HydrophobicContact CE2-CD1 3.7Å; F385-F388 HydrophobicContact CE2-CE1 4Å; F385-F388 WeakPolarHBondContact O-CB 3.46Å; F385-F388 PolarHBondContact O-N 3.41Å; F385-F388 VanDerWaalsContact O-N 3.09Å; F388-I390 PolarHBondContact O-N 3.04Å; F388-S391 CarbonylContact O-C 3.6Å; F388-S391 PolarHBondContact O-N 3.41Å; F388-S391 VanDerWaalsContact O-N 3.08Å; F388-E392 HydrophobicContact CE2-CG 4.45Å; F388-E392 HydrophobicContact CZ-CB 4.37Å; F388-E392 HydrophobicContact CZ-CG 4.13Å; F388-E392 WeakPolarHBondContact O-CB 3.38Å; F388-E392 PolarHBondContact O-N 2.82Å; F388-W404 HydrophobicContact CD2-CH2 4.15Å; F388-W404 HydrophobicContact CE2-CH2 4.06Å
389I98Very high96.7Very high1 Ų121.5 Ų21.51%0.00511%0.108CC..Hα-helixtrans-65.5-39.4-171.8-167.664.8000111.9I327 H350 F385 S391 E392 E393 W510I327-I389 HydrophobicContact CG1-CG2 4.02Å; I327-I389 HydrophobicContact CG2-CG2 4.14Å; H350-I389 WeakPolarHBondContact CE1-CD1 3.47Å; H350-I389 WeakPolarHBondContact NE2-CD1 3.26Å; F385-I389 HydrophobicContact CD1-CG2 4.44Å; F385-I389 HydrophobicContact CE1-CB 4.14Å; F385-I389 HydrophobicContact CE1-CG2 4.18Å; F385-I389 HydrophobicContact CZ-CB 4.14Å; F385-I389 HydrophobicContact CZ-CD1 4.42Å; F385-I389 HydrophobicContact CZ-CG1 4.42Å; F385-I389 WeakPolarHBondContact O-CG2 3.31Å; F385-I389 PolarHBondContact O-N 3.03Å; I389-S391 VanDerWaalsContact C-N 3.31Å; I389-S391 PolarHBondContact O-N 2.93Å; I389-E392 PolarHBondContact O-N 3.19Å; I389-E393 HydrophobicContact CD1-CG 4.04Å; I389-E393 HydrophobicContact CG1-CG 4.3Å; I389-E393 WeakPolarHBondContact O-CB 3.34Å; I389-E393 WeakPolarHBondContact O-CG 3.15Å; I389-E393 PolarHBondContact O-N 3.48Å; I389-W510 HydrophobicContact CG1-CZ3 4.28Å; I389-W510 HydrophobicContact CG2-CZ3 4.49Å
390I98.3Very high97.1Very high11 Ų1116.8 Ų16.86%0.0569%0.09CC..Hα-helixtrans-66-37.3176.1-61.9170.8000110.7R276 Y279 I327 V386 F388 D394 W510R276-I390 HydrophobicContact CG-CD1 3.79Å; Y279-I390 HydrophobicContact CD1-CG2 4.02Å; Y279-I390 HydrophobicContact CE1-CG2 3.51Å; Y279-I390 HydrophobicContact CE2-CB 4.4Å; Y279-I390 HydrophobicContact CE2-CG2 4.17Å; I327-I390 HydrophobicContact CD1-CD1 4.32Å; I327-I390 HydrophobicContact CD1-CG1 4.39Å; V386-I390 HydrophobicContact CG1-CD1 3.71Å; V386-I390 WeakPolarHBondContact O-CD1 3.32Å; V386-I390 VanDerWaalsContact O-CG1 3.24Å; V386-I390 WeakPolarHBondContact O-CG1 2.99Å; V386-I390 PolarHBondContact O-N 3.36Å; F388-I390 PolarHBondContact O-N 3.04Å; I390-D394 PolarHBondContact O-N 3.33Å; I390-W510 HydrophobicContact CB-CE3 4.49Å; I390-W510 HydrophobicContact CG1-CD2 4.37Å; I390-W510 HydrophobicContact CG1-CE3 4.21Å; I390-W510 HydrophobicContact CG1-CH2 4.28Å; I390-W510 HydrophobicContact CG1-CZ2 4.42Å; I390-W510 HydrophobicContact CG1-CZ3 4.17Å
391S98.4Very high97.3Very high0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-72-36.2177.6-55.60000112Y279 W387 F388 I389 K395 S400 W404Y279-S391 WeakPolarHBondContact CE2-OG 3.13Å; Y279-S391 PolarHBondContact OH-OG 3.46Å; W387-S391 VanDerWaalsContact O-CB 3.28Å; W387-S391 WeakPolarHBondContact O-CB 3.48Å; W387-S391 PolarHBondContact O-N 3.04Å; W387-S391 VanDerWaalsContact O-N 3.12Å; W387-S391 PolarHBondContact O-OG 3.37Å; F388-S391 CarbonylContact O-C 3.6Å; F388-S391 PolarHBondContact O-N 3.41Å; F388-S391 VanDerWaalsContact O-N 3.08Å; I389-S391 VanDerWaalsContact C-N 3.31Å; I389-S391 PolarHBondContact O-N 2.93Å; S391-K395 WeakPolarHBondContact O-CG 3.47Å; S391-S400 WeakPolarHBondContact CA-OG 3.46Å; S391-S400 PolarHBondContact O-OG 2.95Å; S391-W404 PolarHBondContact O-NE1 3.08Å
392E97.1Very high97.5Very high1 Ų116.6 Ų16.61%0.0059%0.086CC..Hα-helixtrans-65.3-48.6179.5-164-62.3131.500110.6I355 F388 I389 K395 W404 N481 K484I355-E392 HydrophobicContact CD1-CG 3.67Å; I355-E392 HydrophobicContact CG1-CG 4.5Å; F388-E392 HydrophobicContact CE2-CG 4.45Å; F388-E392 HydrophobicContact CZ-CB 4.37Å; F388-E392 HydrophobicContact CZ-CG 4.13Å; F388-E392 WeakPolarHBondContact O-CB 3.38Å; F388-E392 PolarHBondContact O-N 2.82Å; I389-E392 PolarHBondContact O-N 3.19Å; E392-K395 PolarHBondContact O-NZ 3.33Å; E392-K395 IonicContact OE1-NZ 3.59Å; E392-K395 PolarHBondContact OE1-NZ 3.35Å; E392-W404 HydrophobicContact CB-CZ2 4.07Å; E392-W404 HydrophobicContact CG-CZ2 4.49Å; E392-N481 PolarHBondContact OE1-ND2 3Å; E392-K484 VanDerWaalsContact CD-NZ 3.27Å; E392-K484 PolarHBondContact O-NZ 3.06Å; E392-K484 VanDerWaalsContact O-NZ 3.12Å; E392-K484 IonicContact OE1-NZ 3.1Å; E392-K484 PolarHBondContact OE1-NZ 3.28Å; E392-K484 IonicContact OE2-NZ 2.97Å; E392-K484 PolarHBondContact OE2-NZ 2.98Å
393E96.7Very high97.6Very high18 Ų1816.6 Ų16.68%0.0849%0.086CC..Hα-helixtrans-79.5-30.8-170.5-61.2-62.5173.300112.7N351 I389 K484 W510 Y513N351-E393 PolarHBondContact ND2-OE1 3.09Å; I389-E393 HydrophobicContact CD1-CG 4.04Å; I389-E393 HydrophobicContact CG1-CG 4.3Å; I389-E393 WeakPolarHBondContact O-CB 3.34Å; I389-E393 WeakPolarHBondContact O-CG 3.15Å; I389-E393 PolarHBondContact O-N 3.48Å; E393-K484 IonicContact OE2-NZ 3.36Å; E393-K484 PolarHBondContact OE2-NZ 2.66Å; E393-W510 HydrophobicContact CB-CE3 3.99Å; E393-W510 HydrophobicContact CB-CZ3 4.35Å; E393-W510 HydrophobicContact CG-CE3 4.5Å; E393-W510 HydrophobicContact CG-CZ3 4.37Å; E393-Y513 HydrophobicContact CB-CD1 4.09Å; E393-Y513 HydrophobicContact CB-CG 4.22Å; E393-Y513 HydrophobicContact CG-CD1 3.68Å; E393-Y513 HydrophobicContact CG-CD2 4.29Å; E393-Y513 HydrophobicContact CG-CE1 3.62Å; E393-Y513 HydrophobicContact CG-CE2 4.25Å; E393-Y513 HydrophobicContact CG-CG 4.01Å; E393-Y513 WeakPolarHBondContact OE1-CE2 3.22Å; E393-Y513 VanDerWaalsContact OE1-CZ 3.27Å; E393-Y513 PolarHBondContact OE1-OH 3.16Å
394D96.9Very high97.7Very high9 Ų915.6 Ų15.65%0.0488%0.078CC..  trans-124.788.7173.2-169.2-19.6000112.8I390 K396 T397 S400 D509 W510I390-D394 PolarHBondContact O-N 3.33Å; D394-K396 PolarHBondContact O-N 3.11Å; D394-K396 WeakPolarHBondContact OD1-CA 3.3Å; D394-K396 VanDerWaalsContact OD1-CB 3.3Å; D394-K396 WeakPolarHBondContact OD1-CB 3.39Å; D394-K396 PolarHBondContact OD1-N 3.2Å; D394-T397 HydrophobicContact CB-CG2 4.34Å; D394-T397 PolarHBondContact O-OG1 2.88Å; D394-T397 PolarHBondContact OD1-N 3.24Å; D394-S400 WeakPolarHBondContact O-CB 3.49Å; D394-S400 PolarHBondContact O-OG 3.08Å; D394-D509 HydrophobicContact CB-CB 4.2Å; D394-W510 HydrophobicContact CB-CB 3.95Å
395K97.1Very high97.8Very high5 Ų514.8 Ų14.82%0.0227%0.073CC..THydrogen-bonded Turntrans-79.22.4175.3-57.2-170.7-172.672.30114.4S391 E392 S400 H473 F476 D477 F480S391-K395 WeakPolarHBondContact O-CG 3.47Å; E392-K395 PolarHBondContact O-NZ 3.33Å; E392-K395 IonicContact OE1-NZ 3.59Å; E392-K395 PolarHBondContact OE1-NZ 3.35Å; K395-S400 WeakPolarHBondContact CA-OG 3.45Å; K395-H473 HydrophobicContact CB-CB 3.69Å; K395-F476 HydrophobicContact CB-CD2 4.41Å; K395-F476 HydrophobicContact CD-CB 3.88Å; K395-D477 WeakPolarHBondContact CD-OD1 3.45Å; K395-D477 VanDerWaalsContact CE-OD1 3.23Å; K395-D477 WeakPolarHBondContact CE-OD1 3.24Å; K395-D477 IonicContact NZ-OD1 2.75Å; K395-D477 PolarHBondContact NZ-OD1 2.99Å; K395-F480 HydrophobicContact CD-CE2 4.45Å; K395-F480 HydrophobicContact CD-CZ 4.49Å
396K95.5Very high97.8Very high82 Ų8219.4 Ų19.436%0.3579%0.09SC..THydrogen-bonded Turntrans-87-25176.7-62.5172-179.7159.40111.6D394 H473 D509D394-K396 PolarHBondContact O-N 3.11Å; D394-K396 WeakPolarHBondContact OD1-CA 3.3Å; D394-K396 VanDerWaalsContact OD1-CB 3.3Å; D394-K396 WeakPolarHBondContact OD1-CB 3.39Å; D394-K396 PolarHBondContact OD1-N 3.2Å; K396-H473 HydrophobicContact CG-CB 4.09Å; K396-D509 VanDerWaalsContact CD-OD2 3.3Å; K396-D509 WeakPolarHBondContact CD-OD2 3.26Å; K396-D509 WeakPolarHBondContact CE-OD2 3.36Å; K396-D509 VanDerWaalsContact NZ-CG 3.27Å; K396-D509 IonicContact NZ-OD1 2.72Å; K396-D509 PolarHBondContact NZ-OD1 2.66Å; K396-D509 IonicContact NZ-OD2 3.24Å; K396-D509 PolarHBondContact NZ-OD2 2.86Å
397T96.4Very high97.8Very high44 Ų4419.3 Ų19.327%0.279%0.09SC..SBendtrans-66.7144.7-179.264.80000113Y279 D394 T399 S400 I401Y279-T397 PolarHBondContact OH-OG1 3.09Å; D394-T397 HydrophobicContact CB-CG2 4.34Å; D394-T397 PolarHBondContact O-OG1 2.88Å; D394-T397 PolarHBondContact OD1-N 3.24Å; T397-T399 PolarHBondContact O-N 3.03Å; T397-S400 PolarHBondContact O-N 2.91Å; T397-S400 VanDerWaalsContact O-N 3.1Å; T397-S400 WeakPolarHBondContact OG1-CB 3.25Å; T397-S400 PolarHBondContact OG1-N 2.85Å; T397-I401 VanDerWaalsContact O-CG1 3.29Å; T397-I401 WeakPolarHBondContact O-CG1 3.27Å; T397-I401 PolarHBondContact O-N 2.95Å
398D97.3Very high97.8Very high70 Ų7018.3 Ų18.337%0.3749%0.086SC..Hα-helixtrans-57.5-31.1178.3-123.249.5000113.3R283 E402 K467R283-D398 VanDerWaalsContact NH2-C 3.26Å; R283-D398 PolarHBondContact NH2-O 3Å; R283-D398 IonicContact NH2-OD2 2.89Å; D398-E402 VanDerWaalsContact O-CD 3.24Å; D398-E402 WeakPolarHBondContact O-CG 3.45Å; D398-E402 PolarHBondContact O-N 3.25Å; D398-K467 WeakPolarHBondContact O-CE 3.36Å; D398-K467 PolarHBondContact O-NZ 3.13Å; D398-K467 IonicContact OD1-NZ 3.24Å; D398-K467 IonicContact OD2-NZ 3.31Å; D398-K467 PolarHBondContact OD2-NZ 3.04Å
399T98.3Very high97.8Very high5 Ų519 Ų193%0.0319%0.09CC..Hα-helixtrans-75-44.2174.9-50.70000111.6Y279 R283 W285 W387 T397 I401 E402 Y403Y279-T399 HydrophobicContact CD1-CG2 4.06Å; Y279-T399 HydrophobicContact CD2-CG2 3.66Å; Y279-T399 HydrophobicContact CE1-CG2 3.87Å; Y279-T399 HydrophobicContact CE2-CG2 3.42Å; Y279-T399 VanDerWaalsContact CE2-CG2 3.42Å; Y279-T399 HydrophobicContact CG-CG2 3.96Å; Y279-T399 PolarHBondContact O-OG1 2.86Å; R283-T399 PolarHBondContact NH1-OG1 2.96Å; W285-T399 HydrophobicContact CZ2-CG2 3.98Å; W387-T399 HydrophobicContact CZ3-CG2 3.95Å; T397-T399 PolarHBondContact O-N 3.03Å; T399-I401 VanDerWaalsContact C-N 3.34Å; T399-I401 PolarHBondContact O-N 3.32Å; T399-E402 WeakPolarHBondContact O-CB 3.42Å; T399-E402 PolarHBondContact O-N 3.08Å; T399-Y403 PolarHBondContact O-N 3.22Å
400S98.6Very high97.8Very high0 Ų021.2 Ų21.20%010%0.102CC..Hα-helixtrans-64.4-40.7178-179.80000111.7Y279 S391 D394 K395 T397 E402 Y403 W404Y279-S400 WeakPolarHBondContact OH-CB 3.43Å; Y279-S400 PolarHBondContact OH-N 3.26Å; S391-S400 WeakPolarHBondContact CA-OG 3.46Å; S391-S400 PolarHBondContact O-OG 2.95Å; D394-S400 WeakPolarHBondContact O-CB 3.49Å; D394-S400 PolarHBondContact O-OG 3.08Å; K395-S400 WeakPolarHBondContact CA-OG 3.45Å; T397-S400 PolarHBondContact O-N 2.91Å; T397-S400 VanDerWaalsContact O-N 3.1Å; T397-S400 WeakPolarHBondContact OG1-CB 3.25Å; T397-S400 PolarHBondContact OG1-N 2.85Å; S400-E402 VanDerWaalsContact C-N 3.26Å; S400-E402 PolarHBondContact O-N 3.09Å; S400-Y403 WeakPolarHBondContact O-CA 3.19Å; S400-Y403 WeakPolarHBondContact O-CB 3.4Å; S400-Y403 PolarHBondContact O-N 3.19Å; S400-W404 PolarHBondContact O-N 3.5Å; S400-W404 PolarHBondContact OG-NE1 2.87Å; S400-W404 VanDerWaalsContact OG-NE1 3.14Å
401I98.8Very high97.7Very high6 Ų625.9 Ų25.93%0.03113%0.127CC..Hα-helixtrans-58.8-40.5175.2-61.7167.7000110.9T397 T399 F405 L463 L466 K467 A472 F476T397-I401 VanDerWaalsContact O-CG1 3.29Å; T397-I401 WeakPolarHBondContact O-CG1 3.27Å; T397-I401 PolarHBondContact O-N 2.95Å; T399-I401 VanDerWaalsContact C-N 3.34Å; T399-I401 PolarHBondContact O-N 3.32Å; I401-F405 WeakPolarHBondContact O-CB 3.42Å; I401-F405 PolarHBondContact O-N 3.33Å; I401-L463 HydrophobicContact CG2-CD1 3.76Å; I401-L466 HydrophobicContact CG2-CB 3.97Å; I401-K467 HydrophobicContact CB-CG 4.41Å; I401-K467 HydrophobicContact CD1-CG 4.2Å; I401-K467 HydrophobicContact CG2-CG 3.9Å; I401-A472 HydrophobicContact CD1-CB 3.85Å; I401-A472 HydrophobicContact CG1-CB 3.84Å; I401-A472 HydrophobicContact CG2-CB 4.34Å; I401-F476 HydrophobicContact CB-CE2 4.18Å; I401-F476 HydrophobicContact CG1-CE2 4.11Å; I401-F476 HydrophobicContact CG2-CE2 4.04Å; I401-F476 HydrophobicContact CG2-CZ 4.06Å
402E98.6Very high97.6Very high22 Ų2228.7 Ų28.710%0.10316%0.155CC..Hα-helixtrans-66.1-40.3173.9-74.8158.5179.200112.7R283 W285 D398 T399 S400 R406 L463 K467R283-E402 IonicContact CZ-OE1 3Å; R283-E402 IonicContact CZ-OE2 2.94Å; R283-E402 VanDerWaalsContact CZ-OE2 3.27Å; R283-E402 IonicContact NH1-OE2 3.95Å; R283-E402 PolarHBondContact NH1-OE2 3.44Å; R283-E402 IonicContact NH2-OE1 2.87Å; R283-E402 PolarHBondContact NH2-OE1 3.03Å; R283-E402 IonicContact NH2-OE2 2.83Å; R283-E402 PolarHBondContact NH2-OE2 3.02Å; W285-E402 HydrophobicContact CZ2-CB 3.62Å; W285-E402 PolarHBondContact NE1-OE2 2.85Å; D398-E402 VanDerWaalsContact O-CD 3.24Å; D398-E402 WeakPolarHBondContact O-CG 3.45Å; D398-E402 PolarHBondContact O-N 3.25Å; T399-E402 WeakPolarHBondContact O-CB 3.42Å; T399-E402 PolarHBondContact O-N 3.08Å; S400-E402 VanDerWaalsContact C-N 3.26Å; S400-E402 PolarHBondContact O-N 3.09Å; E402-R406 WeakPolarHBondContact O-CB 3.44Å; E402-R406 WeakPolarHBondContact O-CD 3.33Å; E402-R406 WeakPolarHBondContact O-CG 3.33Å; E402-R406 PolarHBondContact O-N 3.48Å; E402-R406 VanDerWaalsContact O-N 3.1Å; E402-L463 HydrophobicContact CG-CD1 4.07Å; E402-L463 HydrophobicContact CG-CD2 3.83Å; E402-K467 WeakPolarHBondContact OE1-CE 3.23Å; E402-K467 IonicContact OE1-NZ 3.95Å; E402-K467 PolarHBondContact OE1-NZ 3.46Å
403Y98.6Very high97.6Very high4 Ų433.5 Ų33.52%0.01618%0.181CC..Hα-helixtrans-58.8-54.8177.6-173.5-79.3000110.5W285 I363 V368 W387 T399 S400 R406 C407W285-Y403 HydrophobicContact CH2-CD2 4.06Å; W285-Y403 HydrophobicContact CH2-CG 4.48Å; I363-Y403 HydrophobicContact CG1-CE1 4.4Å; V368-Y403 HydrophobicContact CB-CD2 3.9Å; V368-Y403 HydrophobicContact CB-CE2 3.61Å; V368-Y403 HydrophobicContact CB-CG 4.48Å; V368-Y403 HydrophobicContact CG1-CD1 4.13Å; V368-Y403 HydrophobicContact CG1-CD2 3.8Å; V368-Y403 HydrophobicContact CG1-CE1 4.24Å; V368-Y403 HydrophobicContact CG1-CE2 3.93Å; V368-Y403 HydrophobicContact CG1-CG 3.89Å; V368-Y403 WeakPolarHBondContact CG1-O 3.45Å; V368-Y403 HydrophobicContact CG2-CE1 4.26Å; V368-Y403 HydrophobicContact CG2-CE2 3.82Å; W387-Y403 HydrophobicContact CB-CE2 4.28Å; T399-Y403 PolarHBondContact O-N 3.22Å; S400-Y403 WeakPolarHBondContact O-CA 3.19Å; S400-Y403 WeakPolarHBondContact O-CB 3.4Å; S400-Y403 PolarHBondContact O-N 3.19Å; Y403-R406 PolarHBondContact O-N 3.12Å; Y403-C407 PolarHBondContact O-N 3.41Å; Y403-C407 PolarHBondContact O-SG 2.98Å
404W98.6Very high97.6Very high0 Ų034.1 Ų34.10%019%0.193CC..Hα-helixtrans-71.2-35.3-177.1-63.3120.7000113.1I355 L359 I363 F388 S391 E392 S400 R406 C407 M408 F476 F480I355-W404 HydrophobicContact CD1-CH2 4.34Å; L359-W404 HydrophobicContact CD2-CE3 3.68Å; L359-W404 HydrophobicContact CD2-CH2 4.28Å; L359-W404 HydrophobicContact CD2-CZ3 3.36Å; L359-W404 HydrophobicContact CG-CE3 4.37Å; L359-W404 HydrophobicContact CG-CZ3 4.09Å; I363-W404 HydrophobicContact CD1-CH2 4.29Å; I363-W404 HydrophobicContact CD1-CZ3 4.15Å; I363-W404 HydrophobicContact CG1-CZ3 4.47Å; F388-W404 HydrophobicContact CD2-CH2 4.15Å; F388-W404 HydrophobicContact CE2-CH2 4.06Å; S391-W404 PolarHBondContact O-NE1 3.08Å; E392-W404 HydrophobicContact CB-CZ2 4.07Å; E392-W404 HydrophobicContact CG-CZ2 4.49Å; S400-W404 PolarHBondContact O-N 3.5Å; S400-W404 PolarHBondContact OG-NE1 2.87Å; S400-W404 VanDerWaalsContact OG-NE1 3.14Å; W404-R406 VanDerWaalsContact C-N 3.33Å; W404-R406 PolarHBondContact O-N 3.43Å; W404-C407 HydrophobicContact CE3-CB 4.39Å; W404-C407 WeakPolarHBondContact O-CB 3.48Å; W404-C407 PolarHBondContact O-N 3.32Å; W404-C407 VanDerWaalsContact O-N 3.14Å; W404-M408 WeakPolarHBondContact O-CG 3.34Å; W404-M408 PolarHBondContact O-N 3.03Å; W404-F476 HydrophobicContact CB-CD1 3.79Å; W404-F476 HydrophobicContact CB-CD2 4.12Å; W404-F476 HydrophobicContact CB-CE1 3.62Å; W404-F476 HydrophobicContact CB-CE2 3.99Å; W404-F476 HydrophobicContact CB-CG 4.05Å; W404-F476 HydrophobicContact CB-CZ 3.72Å; W404-F476 HydrophobicContact CG-CD2 4.47Å; W404-F476 HydrophobicContact CG-CG 4.49Å; W404-F480 HydrophobicContact CB-CE1 4.33Å; W404-F480 HydrophobicContact CB-CZ 4Å; W404-F480 HydrophobicContact CD2-CE2 4.07Å; W404-F480 AromaticContact CD2-CZ 3.59Å; W404-F480 HydrophobicContact CD2-CZ 3.59Å; W404-F480 HydrophobicContact CE3-CE1 4.42Å; W404-F480 HydrophobicContact CE3-CE2 4.03Å; W404-F480 AromaticContact CE3-CZ 3.69Å; W404-F480 HydrophobicContact CE3-CZ 3.69Å; W404-F480 AromaticContact CG-CZ 3.72Å; W404-F480 HydrophobicContact CG-CZ 3.72Å; W404-F480 HydrophobicContact CZ3-CE2 4.36Å; W404-F480 HydrophobicContact CZ3-CZ 4.46Å
405F98.6Very high97.7Very high10 Ų1035.1 Ų35.14%0.04420%0.199CC..Hα-helixtrans-58.8-44.9172.9-171.8-88.5000111.7I401 C407 M408 D409 G414 L416 L463 L466I401-F405 WeakPolarHBondContact O-CB 3.42Å; I401-F405 PolarHBondContact O-N 3.33Å; F405-C407 VanDerWaalsContact C-N 3.27Å; F405-C407 PolarHBondContact O-N 3.14Å; F405-M408 PolarHBondContact O-N 3.38Å; F405-D409 HydrophobicContact CD1-CB 4.35Å; F405-D409 HydrophobicContact CE1-CB 4.1Å; F405-D409 VanDerWaalsContact O-CB 3.25Å; F405-D409 WeakPolarHBondContact O-CB 3.42Å; F405-D409 PolarHBondContact O-N 3.08Å; F405-G414 WeakPolarHBondContact CZ-O 3.44Å; F405-L416 HydrophobicContact CD2-CD1 4.03Å; F405-L416 HydrophobicContact CD2-CD2 4.39Å; F405-L416 HydrophobicContact CD2-CG 4.07Å; F405-L416 HydrophobicContact CE2-CD1 4Å; F405-L416 HydrophobicContact CE2-CD2 4.12Å; F405-L416 HydrophobicContact CE2-CG 3.61Å; F405-L416 HydrophobicContact CZ-CD2 4.39Å; F405-L416 HydrophobicContact CZ-CG 4.21Å; F405-L463 HydrophobicContact CB-CD1 3.86Å; F405-L463 HydrophobicContact CD1-CB 3.99Å; F405-L463 HydrophobicContact CD2-CB 4.03Å; F405-L463 HydrophobicContact CD2-CD1 4.39Å; F405-L463 HydrophobicContact CE1-CB 4.08Å; F405-L463 HydrophobicContact CE2-CB 4.07Å; F405-L463 HydrophobicContact CG-CB 3.97Å; F405-L463 HydrophobicContact CG-CD1 4Å; F405-L463 HydrophobicContact CZ-CB 4.12Å; F405-L466 HydrophobicContact CD2-CD1 3.68Å; F405-L466 HydrophobicContact CE2-CD1 4.22Å
406R98.3Very high97.7Very high96 Ų9635 Ų3536%0.36220%0.198SC..Hα-helixtrans-62.7-32.4176.1-73.2165.8176.3-87.6-1.2113T367 V368 E402 Y403 W404T367-R406 HydrophobicContact CG2-CB 4.5Å; T367-R406 WeakPolarHBondContact CG2-O 3.43Å; T367-R406 PolarHBondContact OG1-O 2.84Å; V368-R406 HydrophobicContact CG1-CB 4Å; E402-R406 WeakPolarHBondContact O-CB 3.44Å; E402-R406 WeakPolarHBondContact O-CD 3.33Å; E402-R406 WeakPolarHBondContact O-CG 3.33Å; E402-R406 PolarHBondContact O-N 3.48Å; E402-R406 VanDerWaalsContact O-N 3.1Å; Y403-R406 PolarHBondContact O-N 3.12Å; W404-R406 VanDerWaalsContact C-N 3.33Å; W404-R406 PolarHBondContact O-N 3.43Å
407C98.1Very high97.7Very high0 Ų033 Ų330%019%0.194CC..Hα-helixtrans-70.4-42.5174.7-69.70000111.4L359 R362 Y403 W404 F405L359-C407 HydrophobicContact CD1-CB 3.79Å; R362-C407 HydrophobicContact CB-CB 4.08Å; R362-C407 WeakPolarHBondContact CG-O 3.45Å; R362-C407 PolarHBondContact NE-O 3.4Å; Y403-C407 PolarHBondContact O-N 3.41Å; Y403-C407 PolarHBondContact O-SG 2.98Å; W404-C407 HydrophobicContact CE3-CB 4.39Å; W404-C407 WeakPolarHBondContact O-CB 3.48Å; W404-C407 PolarHBondContact O-N 3.32Å; W404-C407 VanDerWaalsContact O-N 3.14Å; F405-C407 VanDerWaalsContact C-N 3.27Å; F405-C407 PolarHBondContact O-N 3.14Å
408M98.3Very high97.7Very high0 Ų034.7 Ų34.70%020%0.2CC..Hα-helixtrans-77.8-31.1-177.2-68.5-173.377.100114.3L359 W404 F405 L410 L416 L421 F424 F475 F476 F479 F480L359-M408 HydrophobicContact CD1-CG 4.38Å; W404-M408 WeakPolarHBondContact O-CG 3.34Å; W404-M408 PolarHBondContact O-N 3.03Å; F405-M408 PolarHBondContact O-N 3.38Å; M408-L410 PolarHBondContact O-N 3.08Å; M408-L416 HydrophobicContact CB-CD1 4.21Å; M408-L416 HydrophobicContact CB-CD2 3.66Å; M408-L416 HydrophobicContact CE-CD1 4.41Å; M408-L416 HydrophobicContact SD-CD1 4.3Å; M408-L421 HydrophobicContact CE-CD2 3.91Å; M408-F424 HydrophobicContact CB-CE2 4.04Å; M408-F424 HydrophobicContact CE-CD2 4.03Å; M408-F424 HydrophobicContact CG-CD2 4.3Å; M408-F424 HydrophobicContact CG-CE2 4.13Å; M408-F475 HydrophobicContact CE-CE1 4.24Å; M408-F475 HydrophobicContact SD-CE1 4.15Å; M408-F476 HydrophobicContact SD-CD1 3.67Å; M408-F476 HydrophobicContact SD-CE1 3.88Å; M408-F479 HydrophobicContact CE-CB 3.73Å; M408-F479 HydrophobicContact CE-CD2 3.96Å; M408-F479 HydrophobicContact CE-CG 3.84Å; M408-F480 HydrophobicContact CG-CD1 4.43Å; M408-F480 HydrophobicContact CG-CE1 4.27Å; M408-F480 HydrophobicContact SD-CD1 4.07Å; M408-F480 HydrophobicContact SD-CE1 3.82Å
409D98.1Very high97.6Very high14 Ų1438.8 Ų38.88%0.07521%0.212CC..  trans-72.395.1174.2-175.5-1.6000108.5R362 F405 G412 D413 G414 L416R362-D409 PolarHBondContact NH2-O 2.96Å; F405-D409 HydrophobicContact CD1-CB 4.35Å; F405-D409 HydrophobicContact CE1-CB 4.1Å; F405-D409 VanDerWaalsContact O-CB 3.25Å; F405-D409 WeakPolarHBondContact O-CB 3.42Å; F405-D409 PolarHBondContact O-N 3.08Å; D409-G412 VanDerWaalsContact CG-CA 3.49Å; D409-G412 WeakPolarHBondContact OD1-CA 3.46Å; D409-G412 PolarHBondContact OD1-N 3.11Å; D409-G412 WeakPolarHBondContact OD2-CA 3.45Å; D409-D413 PolarHBondContact OD1-N 3.2Å; D409-G414 WeakPolarHBondContact OD2-CA 3.49Å; D409-G414 PolarHBondContact OD2-N 3.35Å; D409-L416 HydrophobicContact CB-CD2 4.06Å
410L97.1Very high97.6Very high49 Ų4938.7 Ų38.726%0.25721%0.211SC..SBendtrans-73.5-39.6-171.9-66.4-174.3000111R362 M408 Y419 E420 Y423 F424R362-L410 VanDerWaalsContact CD-CD2 3.49Å; R362-L410 HydrophobicContact CG-CD2 4.24Å; M408-L410 PolarHBondContact O-N 3.08Å; L410-Y419 HydrophobicContact CD1-CE1 4.45Å; L410-E420 HydrophobicContact CB-CG 4.09Å; L410-E420 HydrophobicContact CD1-CG 3.96Å; L410-E420 HydrophobicContact CG-CB 4.5Å; L410-E420 HydrophobicContact CG-CG 3.89Å; L410-E420 PolarHBondContact N-OE1 2.97Å; L410-Y423 HydrophobicContact CD1-CD1 3.78Å; L410-Y423 HydrophobicContact CD1-CE1 4.1Å; L410-Y423 HydrophobicContact CD1-CG 4.15Å; L410-Y423 HydrophobicContact CD2-CE1 4.36Å; L410-F424 HydrophobicContact CD2-CE2 4.05Å; L410-F424 HydrophobicContact CD2-CZ 3.76Å; L410-F424 HydrophobicContact CG-CE2 4.33Å
411D96.4Very high97.6Very high109 Ų10938.9 Ų38.958%0.58321%0.212SC*.SBendtrans-96.4-12.3-176.970.217.5000114.1D413D411-D413 VanDerWaalsContact OD1-CB 3.28Å; D411-D413 WeakPolarHBondContact OD1-CB 3.5Å; D411-D413 PolarHBondContact OD1-N 3.46Å
412G96.6Very high97.5Very high58 Ų5843.4 Ų43.460%0.59823%0.233SC*.  trans77.121.9175.200000113.4D409 G414D409-G412 VanDerWaalsContact CG-CA 3.49Å; D409-G412 WeakPolarHBondContact OD1-CA 3.46Å; D409-G412 PolarHBondContact OD1-N 3.11Å; D409-G412 WeakPolarHBondContact OD2-CA 3.45Å; G412-G414 VanDerWaalsContact C-N 3.28Å
413D97.1Very high97.4Very high102 Ų10245.6 Ų45.655%0.54524%0.241SC..SBendtrans-80.3-8.9-178.589.2-9000113.6D409 D411 V415D409-D413 PolarHBondContact OD1-N 3.2Å; D411-D413 VanDerWaalsContact OD1-CB 3.28Å; D411-D413 WeakPolarHBondContact OD1-CB 3.5Å; D411-D413 PolarHBondContact OD1-N 3.46Å; D413-V415 WeakPolarHBondContact OD1-CA 3.39Å; D413-V415 WeakPolarHBondContact OD1-CB 3.48Å; D413-V415 PolarHBondContact OD1-N 3.13Å
414G97.5Very high97.4Very high32 Ų3245.4 Ų45.433%0.3324%0.24SC..SBendtrans87.313.5179.300000114.7F405 D409 G412F405-G414 WeakPolarHBondContact CZ-O 3.44Å; D409-G414 WeakPolarHBondContact OD2-CA 3.49Å; D409-G414 PolarHBondContact OD2-N 3.35Å; G412-G414 VanDerWaalsContact C-N 3.28Å
415V98.1Very high97.4Very high29 Ų2945.6 Ų45.618%0.17624%0.241CC..EExtended strand (participates in β ladder)trans-136131.3179.3-176.60000110D413 S417 K460 T462D413-V415 WeakPolarHBondContact OD1-CA 3.39Å; D413-V415 WeakPolarHBondContact OD1-CB 3.48Å; D413-V415 PolarHBondContact OD1-N 3.13Å; V415-S417 PolarHBondContact O-N 3.13Å; V415-K460 HydrophobicContact CG1-CB 3.65Å; V415-K460 HydrophobicContact CG1-CD 4.39Å; V415-K460 HydrophobicContact CG1-CG 3.98Å; V415-T462 HydrophobicContact CG2-CG2 4.37Å
416L98.2Very high97.3Very high2 Ų248.8 Ų48.81%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-82.1109.7168.1-55.7179.8000109.5F405 M408 D409 L421 I461 L466 F475F405-L416 HydrophobicContact CD2-CD1 4.03Å; F405-L416 HydrophobicContact CD2-CD2 4.39Å; F405-L416 HydrophobicContact CD2-CG 4.07Å; F405-L416 HydrophobicContact CE2-CD1 4Å; F405-L416 HydrophobicContact CE2-CD2 4.12Å; F405-L416 HydrophobicContact CE2-CG 3.61Å; F405-L416 HydrophobicContact CZ-CD2 4.39Å; F405-L416 HydrophobicContact CZ-CG 4.21Å; M408-L416 HydrophobicContact CB-CD1 4.21Å; M408-L416 HydrophobicContact CB-CD2 3.66Å; M408-L416 HydrophobicContact CE-CD1 4.41Å; M408-L416 HydrophobicContact SD-CD1 4.3Å; D409-L416 HydrophobicContact CB-CD2 4.06Å; L416-L421 HydrophobicContact CB-CD2 4.11Å; L416-L421 HydrophobicContact CD1-CD2 4.3Å; L416-I461 HydrophobicContact CB-CB 4.27Å; L416-I461 HydrophobicContact CD1-CG2 4.42Å; L416-I461 PolarHBondContact N-O 3Å; L416-L466 HydrophobicContact CD1-CD1 4.25Å; L416-F475 HydrophobicContact CD1-CE1 3.85Å; L416-F475 HydrophobicContact CD1-CZ 3.9Å
417S95.4Very high97.1Very high40 Ų4045.4 Ų45.428%0.2825%0.247SC..  trans-81159.8175.669.10000111.9V415 Y419 E420 L421V415-S417 PolarHBondContact O-N 3.13Å; S417-Y419 PolarHBondContact O-N 3.39Å; S417-E420 WeakPolarHBondContact CB-OE2 3.47Å; S417-E420 PolarHBondContact N-OE2 3.46Å; S417-E420 PolarHBondContact O-N 3.22Å; S417-E420 VanDerWaalsContact O-N 3.1Å; S417-E420 WeakPolarHBondContact OG-CG 3.37Å; S417-E420 PolarHBondContact OG-N 2.88Å; S417-E420 PolarHBondContact OG-OE2 3.08Å; S417-L421 WeakPolarHBondContact O-CG 3.37Å; S417-L421 PolarHBondContact O-N 2.98Å; S417-L421 VanDerWaalsContact O-N 3.13Å
418M95.2Very high96.9Very high80 Ų8045.5 Ų45.539%0.39425%0.247SC..Hα-helixtrans-56.1-34.4175.5-62.9-178.4-17800112.5L421 E422 F442 L446 D459M418-L421 PolarHBondContact O-N 3.38Å; M418-E422 WeakPolarHBondContact O-CB 3.38Å; M418-E422 PolarHBondContact O-N 2.88Å; M418-F442 WeakPolarHBondContact O-CZ 3.5Å; M418-L446 HydrophobicContact CE-CD2 4.05Å; M418-L446 HydrophobicContact CG-CD2 3.94Å; M418-L446 HydrophobicContact SD-CD2 3.92Å; M418-D459 HydrophobicContact CE-CB 3.78Å; M418-D459 VanDerWaalsContact CE-CG 3.42Å; M418-D459 WeakPolarHBondContact CE-OD1 3.2Å
419Y96.2Very high96.8Very high156 Ų15646.5 Ų46.561%0.61225%0.254SS*.Hα-helixtrans-61.9-44.2177.6172.2-100.5000112L410 S417 Y423L410-Y419 HydrophobicContact CD1-CE1 4.45Å; S417-Y419 PolarHBondContact O-N 3.39Å; Y419-Y423 VanDerWaalsContact O-CB 3.26Å; Y419-Y423 WeakPolarHBondContact O-CB 3.5Å; Y419-Y423 PolarHBondContact O-N 3.07Å
420E97.6Very high96.7Very high4 Ų450.6 Ų50.62%0.01927%0.273CS..Hα-helixtrans-69.7-40.1-180-66.2161.312600111.1L410 S417 Y423 F424L410-E420 HydrophobicContact CB-CG 4.09Å; L410-E420 HydrophobicContact CD1-CG 3.96Å; L410-E420 HydrophobicContact CG-CB 4.5Å; L410-E420 HydrophobicContact CG-CG 3.89Å; L410-E420 PolarHBondContact N-OE1 2.97Å; S417-E420 WeakPolarHBondContact CB-OE2 3.47Å; S417-E420 PolarHBondContact N-OE2 3.46Å; S417-E420 PolarHBondContact O-N 3.22Å; S417-E420 VanDerWaalsContact O-N 3.1Å; S417-E420 WeakPolarHBondContact OG-CG 3.37Å; S417-E420 PolarHBondContact OG-N 2.88Å; S417-E420 PolarHBondContact OG-OE2 3.08Å; E420-Y423 WeakPolarHBondContact O-CB 3.24Å; E420-Y423 PolarHBondContact O-N 3.46Å; E420-F424 WeakPolarHBondContact O-CD2 3.36Å; E420-F424 PolarHBondContact O-N 2.98Å; E420-F424 VanDerWaalsContact O-N 3.16Å
421L97.6Very high96.4Very high3 Ų350.1 Ų50.12%0.01627%0.268CS..Hα-helixtrans-61.9-47.1175.4-60.6-177.8000111.5M408 L416 S417 M418 Y423 F424 Y425 F442 L446 I461 F475 F479M408-L421 HydrophobicContact CE-CD2 3.91Å; L416-L421 HydrophobicContact CB-CD2 4.11Å; L416-L421 HydrophobicContact CD1-CD2 4.3Å; S417-L421 WeakPolarHBondContact O-CG 3.37Å; S417-L421 PolarHBondContact O-N 2.98Å; S417-L421 VanDerWaalsContact O-N 3.13Å; M418-L421 PolarHBondContact O-N 3.38Å; L421-Y423 VanDerWaalsContact C-N 3.32Å; L421-Y423 PolarHBondContact O-N 3.25Å; L421-F424 PolarHBondContact O-N 3.35Å; L421-Y425 VanDerWaalsContact O-CB 3.24Å; L421-Y425 WeakPolarHBondContact O-CB 3.26Å; L421-Y425 PolarHBondContact O-N 3Å; L421-F442 HydrophobicContact CB-CE2 3.97Å; L421-F442 HydrophobicContact CB-CZ 3.99Å; L421-L446 HydrophobicContact CD1-CD1 3.77Å; L421-I461 HydrophobicContact CD1-CD1 4.16Å; L421-F475 HydrophobicContact CD2-CE2 4.41Å; L421-F475 HydrophobicContact CD2-CZ 3.71Å; L421-F479 HydrophobicContact CB-CD1 4.48Å; L421-F479 HydrophobicContact CB-CE1 3.77Å; L421-F479 HydrophobicContact CB-CZ 3.99Å; L421-F479 HydrophobicContact CD1-CZ 4.25Å; L421-F479 HydrophobicContact CD2-CD2 4.32Å; L421-F479 HydrophobicContact CD2-CE1 4.23Å; L421-F479 HydrophobicContact CD2-CE2 3.97Å; L421-F479 HydrophobicContact CD2-CZ 3.92Å; L421-F479 HydrophobicContact CG-CE1 4.46Å; L421-F479 HydrophobicContact CG-CZ 4.25Å; L421-F479 WeakPolarHBondContact O-CD1 3.27Å
422E97.5Very high96.3Very high102 Ų10245 Ų4548%0.47724%0.241SC..Hα-helixtrans-62.3-41176.3-170176.2-154.500111.1M418 F424 Y425 D426 F442M418-E422 WeakPolarHBondContact O-CB 3.38Å; M418-E422 PolarHBondContact O-N 2.88Å; E422-F424 PolarHBondContact O-N 3.37Å; E422-Y425 PolarHBondContact O-N 3.25Å; E422-D426 WeakPolarHBondContact O-CB 3.39Å; E422-D426 PolarHBondContact O-N 3Å; E422-F442 HydrophobicContact CB-CD1 4.12Å; E422-F442 HydrophobicContact CB-CD2 4.3Å; E422-F442 HydrophobicContact CB-CE1 3.73Å; E422-F442 HydrophobicContact CB-CE2 3.93Å; E422-F442 HydrophobicContact CB-CG 4.39Å; E422-F442 HydrophobicContact CB-CZ 3.64Å; E422-F442 HydrophobicContact CG-CD1 4.02Å; E422-F442 HydrophobicContact CG-CD2 4.47Å; E422-F442 HydrophobicContact CG-CE1 4.14Å; E422-F442 HydrophobicContact CG-CG 4.2Å; E422-F442 HydrophobicContact CG-CZ 4.42Å
423Y97.6Very high96.3Very high67 Ų6748.1 Ų48.126%0.26324%0.24SC..Hα-helixtrans-56.8-45.5178.7170.7-97.6000112.5K358 L410 Y419 E420 L421K358-Y423 HydrophobicContact CB-CE1 3.91Å; K358-Y423 HydrophobicContact CD-CD1 4.21Å; K358-Y423 HydrophobicContact CD-CD2 4.37Å; K358-Y423 HydrophobicContact CD-CE1 3.78Å; K358-Y423 HydrophobicContact CD-CE2 3.94Å; K358-Y423 VanDerWaalsContact CD-O 3.31Å; K358-Y423 WeakPolarHBondContact CD-O 3.39Å; K358-Y423 WeakPolarHBondContact CE-O 3.48Å; K358-Y423 HydrophobicContact CG-CE1 4Å; K358-Y423 HydrophobicContact CG-CE2 4.39Å; K358-Y423 WeakPolarHBondContact CG-OH 3.23Å; K358-Y423 PolarHBondContact NZ-O 3.43Å; L410-Y423 HydrophobicContact CD1-CD1 3.78Å; L410-Y423 HydrophobicContact CD1-CE1 4.1Å; L410-Y423 HydrophobicContact CD1-CG 4.15Å; L410-Y423 HydrophobicContact CD2-CE1 4.36Å; Y419-Y423 VanDerWaalsContact O-CB 3.26Å; Y419-Y423 WeakPolarHBondContact O-CB 3.5Å; Y419-Y423 PolarHBondContact O-N 3.07Å; E420-Y423 WeakPolarHBondContact O-CB 3.24Å; E420-Y423 PolarHBondContact O-N 3.46Å; L421-Y423 VanDerWaalsContact C-N 3.32Å; L421-Y423 PolarHBondContact O-N 3.25Å
424F97.8Very high96.1Very high0 Ų047.5 Ų47.50%025%0.249CC..Hα-helixtrans-75.8-41.3176.3-69.4-70.7000112.1K358 L359 R362 M408 L410 E420 L421 E422 D426 E427 Q428 F479K358-F424 HydrophobicContact CB-CD1 4.11Å; K358-F424 HydrophobicContact CB-CE1 4.12Å; L359-F424 HydrophobicContact CB-CE1 4.38Å; L359-F424 HydrophobicContact CD1-CD1 4.38Å; L359-F424 HydrophobicContact CD1-CE1 3.9Å; L359-F424 HydrophobicContact CD1-CZ 4.33Å; R362-F424 HydrophobicContact CG-CE1 4.21Å; R362-F424 HydrophobicContact CG-CZ 4.01Å; M408-F424 HydrophobicContact CB-CE2 4.04Å; M408-F424 HydrophobicContact CE-CD2 4.03Å; M408-F424 HydrophobicContact CG-CD2 4.3Å; M408-F424 HydrophobicContact CG-CE2 4.13Å; L410-F424 HydrophobicContact CD2-CE2 4.05Å; L410-F424 HydrophobicContact CD2-CZ 3.76Å; L410-F424 HydrophobicContact CG-CE2 4.33Å; E420-F424 WeakPolarHBondContact O-CD2 3.36Å; E420-F424 PolarHBondContact O-N 2.98Å; E420-F424 VanDerWaalsContact O-N 3.16Å; L421-F424 PolarHBondContact O-N 3.35Å; E422-F424 PolarHBondContact O-N 3.37Å; F424-D426 VanDerWaalsContact C-N 3.29Å; F424-D426 PolarHBondContact O-N 2.62Å; F424-E427 PolarHBondContact O-N 3.26Å; F424-E427 VanDerWaalsContact O-N 3.17Å; F424-Q428 PolarHBondContact O-N 3Å; F424-F479 HydrophobicContact CB-CB 4.33Å
425Y97.6Very high96Very high5 Ų550.9 Ų50.92%0.0226%0.258CS..Hα-helixtrans-62.7-34.4-177.4-164.6-115.9000113.2L421 E422 E427 Q428 C429 L440 F442 C445 T478 F479L421-Y425 VanDerWaalsContact O-CB 3.24Å; L421-Y425 WeakPolarHBondContact O-CB 3.26Å; L421-Y425 PolarHBondContact O-N 3Å; E422-Y425 PolarHBondContact O-N 3.25Å; Y425-E427 PolarHBondContact O-N 2.85Å; Y425-Q428 HydrophobicContact CD2-CB 4.3Å; Y425-Q428 WeakPolarHBondContact O-CA 3.49Å; Y425-Q428 WeakPolarHBondContact O-CB 3.49Å; Y425-Q428 PolarHBondContact O-N 3.25Å; Y425-C429 WeakPolarHBondContact CE1-SG 3.43Å; Y425-C429 PolarHBondContact O-N 3.16Å; Y425-C429 PolarHBondContact O-SG 2.89Å; Y425-C429 VanDerWaalsContact O-SG 3.42Å; Y425-L440 WeakPolarHBondContact CE1-O 3.31Å; Y425-L440 PolarHBondContact OH-O 3.11Å; Y425-L440 VanDerWaalsContact OH-O 3.05Å; Y425-F442 HydrophobicContact CD1-CB 4.12Å; Y425-F442 AromaticContact CD1-CD2 3.72Å; Y425-F442 HydrophobicContact CD1-CD2 3.72Å; Y425-F442 HydrophobicContact CD1-CG 4.4Å; Y425-F442 HydrophobicContact CE1-CB 4.45Å; Y425-F442 HydrophobicContact CG-CD2 4.14Å; Y425-C445 HydrophobicContact CE1-CB 3.96Å; Y425-C445 HydrophobicContact CE2-CB 4.32Å; Y425-C445 VanDerWaalsContact CE2-SG 3.53Å; Y425-T478 HydrophobicContact CE2-CG2 4.21Å; Y425-F479 HydrophobicContact CD2-CD1 4.12Å; Y425-F479 HydrophobicContact CD2-CE1 4.26Å; Y425-F479 HydrophobicContact CG-CD1 4.4Å; Y425-F479 HydrophobicContact CG-CE1 4.36Å
426D96.9Very high95.9Very high77 Ų7754 Ų5441%0.41229%0.287SS..Hα-helixtrans-54.1-38.3175.5168.265.9000112.8K358 E422 F424 Q430K358-D426 IonicContact NZ-OD2 2.87Å; K358-D426 PolarHBondContact NZ-OD2 2.87Å; E422-D426 WeakPolarHBondContact O-CB 3.39Å; E422-D426 PolarHBondContact O-N 3Å; F424-D426 VanDerWaalsContact C-N 3.29Å; F424-D426 PolarHBondContact O-N 2.62Å; D426-Q430 WeakPolarHBondContact O-CG 3.42Å; D426-Q430 PolarHBondContact O-N 3.17Å; D426-Q430 PolarHBondContact O-NE2 3.29Å; D426-Q430 PolarHBondContact OD1-NE2 3.33Å; D426-Q430 PolarHBondContact OD2-NE2 3.39Å
427E94.8Very high95.7Very high25 Ų2557.2 Ų57.212%0.11730%0.303CS..Hα-helixtrans-74.6-35.5176.4-166.7-177.6159.600112.2S356 Q357 K358 F424 Y425 C429 Q430 K431S356-E427 WeakPolarHBondContact CA-OE1 3.49Å; S356-E427 WeakPolarHBondContact CB-OE2 3.33Å; Q357-E427 WeakPolarHBondContact CB-OE1 3.42Å; Q357-E427 PolarHBondContact N-OE1 3.22Å; Q357-E427 PolarHBondContact N-OE2 3.23Å; K358-E427 VanDerWaalsContact CB-OE2 3.25Å; K358-E427 WeakPolarHBondContact CB-OE2 3.43Å; K358-E427 HydrophobicContact CD-CB 4.04Å; K358-E427 WeakPolarHBondContact CD-OE2 3.39Å; K358-E427 WeakPolarHBondContact CG-OE2 3.34Å; K358-E427 PolarHBondContact N-OE2 3.1Å; F424-E427 PolarHBondContact O-N 3.26Å; F424-E427 VanDerWaalsContact O-N 3.17Å; Y425-E427 PolarHBondContact O-N 2.85Å; E427-C429 VanDerWaalsContact C-N 3.33Å; E427-C429 PolarHBondContact O-N 2.87Å; E427-Q430 PolarHBondContact O-N 2.92Å; E427-K431 PolarHBondContact O-N 2.61Å
428Q94.1Very high95.7Very high1 Ų164.1 Ų64.11%0.00533%0.331CS..Hα-helixtrans-61.6-41.3173.1-76.6-74.1102.600111.8F424 Y425 Q430 K431 L432 T478 F479F424-Q428 PolarHBondContact O-N 3Å; Y425-Q428 HydrophobicContact CD2-CB 4.3Å; Y425-Q428 WeakPolarHBondContact O-CA 3.49Å; Y425-Q428 WeakPolarHBondContact O-CB 3.49Å; Y425-Q428 PolarHBondContact O-N 3.25Å; Q428-Q430 VanDerWaalsContact C-N 3.34Å; Q428-Q430 PolarHBondContact O-N 3.06Å; Q428-K431 PolarHBondContact O-N 3.29Å; Q428-L432 WeakPolarHBondContact O-CG 2.88Å; Q428-L432 PolarHBondContact O-N 3.36Å; Q428-T478 PolarHBondContact NE2-O 2.77Å; Q428-F479 VanDerWaalsContact CG-C 3.41Å; Q428-F479 WeakPolarHBondContact CG-O 3.39Å
429C96Very high95.7Very high21 Ų2161.5 Ų61.514%0.14232%0.32CS..Hα-helixtrans-57.7-47.1174.2-68.80000111.4Y425 E427 K431 L432 E433 P439Y425-C429 WeakPolarHBondContact CE1-SG 3.43Å; Y425-C429 PolarHBondContact O-N 3.16Å; Y425-C429 PolarHBondContact O-SG 2.89Å; Y425-C429 VanDerWaalsContact O-SG 3.42Å; E427-C429 VanDerWaalsContact C-N 3.33Å; E427-C429 PolarHBondContact O-N 2.87Å; C429-K431 VanDerWaalsContact C-N 3.31Å; C429-K431 PolarHBondContact O-N 3.16Å; C429-L432 PolarHBondContact O-N 2.84Å; C429-E433 WeakPolarHBondContact O-CB 3.31Å; C429-E433 WeakPolarHBondContact O-CG 3.12Å; C429-E433 PolarHBondContact O-N 3.48Å; C429-P439 HydrophobicContact CB-CB 4.01Å; C429-P439 HydrophobicContact CB-CG 3.99Å
430Q95Very high95.6Very high101 Ų10156.3 Ų56.347%0.47230%0.303SS..Hα-helixtrans-61-39.5178.3-67.7167.331.300112.1D426 E427 Q428 A434D426-Q430 WeakPolarHBondContact O-CG 3.42Å; D426-Q430 PolarHBondContact O-N 3.17Å; D426-Q430 PolarHBondContact O-NE2 3.29Å; D426-Q430 PolarHBondContact OD1-NE2 3.33Å; D426-Q430 PolarHBondContact OD2-NE2 3.39Å; E427-Q430 PolarHBondContact O-N 2.92Å; Q428-Q430 VanDerWaalsContact C-N 3.34Å; Q428-Q430 PolarHBondContact O-N 3.06Å; Q430-A434 WeakPolarHBondContact O-CB 3.32Å; Q430-A434 PolarHBondContact O-N 2.96Å
431K92.3Very high95.6Very high38 Ų3859.3 Ų59.317%0.16532%0.322CS..Hα-helixtrans-66.2-43.8175-71.9-172.3178.1-170.10112.2Q353 A354 I355 E427 Q428 C429 A434 M435 I482Q353-K431 PolarHBondContact O-NZ 3.11Å; A354-K431 PolarHBondContact O-NZ 3.08Å; I355-K431 VanDerWaalsContact C-NZ 3.28Å; I355-K431 PolarHBondContact O-NZ 2.87Å; E427-K431 PolarHBondContact O-N 2.61Å; Q428-K431 PolarHBondContact O-N 3.29Å; C429-K431 VanDerWaalsContact C-N 3.31Å; C429-K431 PolarHBondContact O-N 3.16Å; K431-A434 PolarHBondContact O-N 2.84Å; K431-M435 WeakPolarHBondContact O-CG 3.26Å; K431-M435 PolarHBondContact O-N 3.35Å; K431-I482 HydrophobicContact CB-CG1 4.43Å; K431-I482 HydrophobicContact CD-CB 4.42Å; K431-I482 HydrophobicContact CD-CG2 4.35Å
432L94.1Very high95.6Very high2 Ų260.6 Ų60.61%0.0133%0.328CS..Hα-helixtrans-60.6-46.1176-75.4165.2000111.5Q428 C429 A434 M435 A436 I437 P439 I482 Y485 L486Q428-L432 WeakPolarHBondContact O-CG 2.88Å; Q428-L432 PolarHBondContact O-N 3.36Å; C429-L432 PolarHBondContact O-N 2.84Å; L432-A434 VanDerWaalsContact C-N 3.32Å; L432-A434 PolarHBondContact O-N 2.97Å; L432-M435 CarbonylContact O-C 3.46Å; L432-M435 WeakPolarHBondContact O-CA 3.43Å; L432-M435 WeakPolarHBondContact O-CB 3.28Å; L432-M435 PolarHBondContact O-N 2.93Å; L432-A436 PolarHBondContact O-N 3.13Å; L432-I437 CarbonylContact C-O 3.25Å; L432-I437 VanDerWaalsContact C-O 3.25Å; L432-I437 HydrophobicContact CB-CB 4.37Å; L432-I437 HydrophobicContact CD2-CB 4.09Å; L432-I437 HydrophobicContact CD2-CD1 4.28Å; L432-I437 HydrophobicContact CD2-CG2 3.9Å; L432-I437 PolarHBondContact O-N 2.83Å; L432-P439 HydrophobicContact CB-CB 4.26Å; L432-P439 HydrophobicContact CD1-CB 3.85Å; L432-I482 HydrophobicContact CD1-CD1 4.47Å; L432-I482 HydrophobicContact CD2-CD1 3.45Å; L432-I482 VanDerWaalsContact CD2-CD1 3.45Å; L432-I482 HydrophobicContact CG-CD1 3.57Å; L432-Y485 HydrophobicContact CD1-CE1 4.1Å; L432-Y485 HydrophobicContact CD2-CD1 4.41Å; L432-Y485 HydrophobicContact CD2-CE1 4.07Å; L432-L486 HydrophobicContact CD2-CD2 4.03Å
433E95.9Very high95.6Very high123 Ų12361.8 Ų61.858%0.57533%0.333SS*.Hα-helixtrans-61.7-39.3177.5-73.2175.9-175.600112.1C429 M435 A436 I437 P439C429-E433 WeakPolarHBondContact O-CB 3.31Å; C429-E433 WeakPolarHBondContact O-CG 3.12Å; C429-E433 PolarHBondContact O-N 3.48Å; E433-M435 PolarHBondContact O-N 3.12Å; E433-A436 WeakPolarHBondContact O-CA 3.35Å; E433-A436 PolarHBondContact O-N 3.2Å; E433-I437 PolarHBondContact N-O 2.99Å; E433-P439 HydrophobicContact CG-CG 4.03Å
434A93.9Very high95.5Very high90 Ų9062.7 Ų62.774%0.74434%0.343SS*.Hα-helixtrans-62.9-27.8175.100000112.8Q430 K431 L432 A436Q430-A434 WeakPolarHBondContact O-CB 3.32Å; Q430-A434 PolarHBondContact O-N 2.96Å; K431-A434 PolarHBondContact O-N 2.84Å; L432-A434 VanDerWaalsContact C-N 3.32Å; L432-A434 PolarHBondContact O-N 2.97Å; A434-A436 VanDerWaalsContact C-N 3.29Å
435M93.6Very high95.5Very high103 Ų10362.8 Ų62.851%0.50734%0.344SS..THydrogen-bonded Turntrans-87.77.2172.3-61.1179.5-171.400113.2K431 L432 E433 I437 I482 L486K431-M435 WeakPolarHBondContact O-CG 3.26Å; K431-M435 PolarHBondContact O-N 3.35Å; L432-M435 CarbonylContact O-C 3.46Å; L432-M435 WeakPolarHBondContact O-CA 3.43Å; L432-M435 WeakPolarHBondContact O-CB 3.28Å; L432-M435 PolarHBondContact O-N 2.93Å; E433-M435 PolarHBondContact O-N 3.12Å; M435-I437 HydrophobicContact CB-CD1 4.24Å; M435-I437 HydrophobicContact CB-CG1 4.29Å; M435-I437 PolarHBondContact O-N 3.45Å; M435-I482 HydrophobicContact CE-CG1 3.92Å; M435-I482 HydrophobicContact CE-CG2 4.22Å; M435-I482 HydrophobicContact SD-CG1 4.18Å; M435-L486 HydrophobicContact SD-CD1 4.14Å
436A95.9Very high95.4Very high95 Ų9563.4 Ų63.479%0.78535%0.347SS*.THydrogen-bonded Turntrans59.430.1-174.800000114.3L432 E433 A434L432-A436 PolarHBondContact O-N 3.13Å; E433-A436 WeakPolarHBondContact O-CA 3.35Å; E433-A436 PolarHBondContact O-N 3.2Å; A434-A436 VanDerWaalsContact C-N 3.29Å
437I94.8Very high95.4Very high68 Ų6863.2 Ų63.235%0.34935%0.351SS..PPolyproline II helixtrans-101.7128.3172.5-58.4174.6000107.7L432 E433 M435 P439 L486L432-I437 CarbonylContact C-O 3.25Å; L432-I437 VanDerWaalsContact C-O 3.25Å; L432-I437 HydrophobicContact CB-CB 4.37Å; L432-I437 HydrophobicContact CD2-CB 4.09Å; L432-I437 HydrophobicContact CD2-CD1 4.28Å; L432-I437 HydrophobicContact CD2-CG2 3.9Å; L432-I437 PolarHBondContact O-N 2.83Å; E433-I437 PolarHBondContact N-O 2.99Å; M435-I437 HydrophobicContact CB-CD1 4.24Å; M435-I437 HydrophobicContact CB-CG1 4.29Å; M435-I437 PolarHBondContact O-N 3.45Å; I437-P439 VanDerWaalsContact O-CD 3.31Å; I437-P439 WeakPolarHBondContact O-CD 3.49Å; I437-L486 HydrophobicContact CD1-CD1 4.28Å; I437-L486 HydrophobicContact CD1-CD2 3.73Å
438E95.3Very high95.4Very high185 Ų18566.7 Ų66.786%0.86437%0.367SS*.PPolyproline II helixtrans-73.5116.3176.1-174.9172.5-169.400109.3
439P95.1Very high95.5Very high25 Ų2567.1 Ų67.116%0.16237%0.369CS..PPolyproline II helixtrans-71.5150.417930.1-34.3000111C429 L432 E433 I437C429-P439 HydrophobicContact CB-CB 4.01Å; C429-P439 HydrophobicContact CB-CG 3.99Å; L432-P439 HydrophobicContact CB-CB 4.26Å; L432-P439 HydrophobicContact CD1-CB 3.85Å; E433-P439 HydrophobicContact CG-CG 4.03Å; I437-P439 VanDerWaalsContact O-CD 3.31Å; I437-P439 WeakPolarHBondContact O-CD 3.49Å
440L94.6Very high95.5Very high48 Ų4867.8 Ų67.825%0.25137%0.371SS..PPolyproline II helixtrans-67.9137.8172.3-173.870.1000109.3Y425 D444 C445 Q448Y425-L440 WeakPolarHBondContact CE1-O 3.31Å; Y425-L440 PolarHBondContact OH-O 3.11Å; Y425-L440 VanDerWaalsContact OH-O 3.05Å; L440-D444 HydrophobicContact CD1-CB 3.81Å; L440-D444 HydrophobicContact CD2-CB 3.97Å; L440-D444 HydrophobicContact CG-CB 3.77Å; L440-C445 HydrophobicContact CD2-CB 4.02Å; L440-Q448 VanDerWaalsContact CD2-NE2 3.32Å
441P97.1Very high95.5Very high67 Ų6768.8 Ų68.844%0.43538%0.38SS..PPolyproline II helixtrans-55.3144.6172.9-26.236000111.8E443 D444 C445P441-E443 VanDerWaalsContact C-N 3.26Å; P441-E443 PolarHBondContact O-N 2.9Å; P441-D444 PolarHBondContact O-N 3.48Å; P441-D444 VanDerWaalsContact O-N 3.09Å; P441-C445 PolarHBondContact O-N 2.81Å
442F97.6Very high95.6Very high29 Ų2968.7 Ų68.713%0.12738%0.381CS..Hα-helixtrans-58.6-37.7-174.7174.9-111.8000112.4M418 L421 E422 Y425 D444 C445 L446 F479M418-F442 WeakPolarHBondContact O-CZ 3.5Å; L421-F442 HydrophobicContact CB-CE2 3.97Å; L421-F442 HydrophobicContact CB-CZ 3.99Å; E422-F442 HydrophobicContact CB-CD1 4.12Å; E422-F442 HydrophobicContact CB-CD2 4.3Å; E422-F442 HydrophobicContact CB-CE1 3.73Å; E422-F442 HydrophobicContact CB-CE2 3.93Å; E422-F442 HydrophobicContact CB-CG 4.39Å; E422-F442 HydrophobicContact CB-CZ 3.64Å; E422-F442 HydrophobicContact CG-CD1 4.02Å; E422-F442 HydrophobicContact CG-CD2 4.47Å; E422-F442 HydrophobicContact CG-CE1 4.14Å; E422-F442 HydrophobicContact CG-CG 4.2Å; E422-F442 HydrophobicContact CG-CZ 4.42Å; Y425-F442 HydrophobicContact CD1-CB 4.12Å; Y425-F442 AromaticContact CD1-CD2 3.72Å; Y425-F442 HydrophobicContact CD1-CD2 3.72Å; Y425-F442 HydrophobicContact CD1-CG 4.4Å; Y425-F442 HydrophobicContact CE1-CB 4.45Å; Y425-F442 HydrophobicContact CG-CD2 4.14Å; F442-D444 VanDerWaalsContact C-N 3.31Å; F442-D444 PolarHBondContact O-N 3Å; F442-C445 PolarHBondContact O-N 3.24Å; F442-L446 HydrophobicContact CE1-CD2 4.16Å; F442-L446 HydrophobicContact CE2-CB 4.49Å; F442-L446 HydrophobicContact CZ-CB 4.32Å; F442-L446 HydrophobicContact CZ-CD1 4.43Å; F442-L446 HydrophobicContact CZ-CD2 4.3Å; F442-L446 VanDerWaalsContact O-CB 3.23Å; F442-L446 WeakPolarHBondContact O-CB 3.46Å; F442-L446 PolarHBondContact O-N 3.4Å; F442-F479 HydrophobicContact CE2-CE1 4.41Å
443E97.1Very high95.8Very high128 Ų12868.7 Ų68.760%0.59838%0.381SS*.Hα-helixtrans-62.6-38.9179.1-62.187.616400112.3P441 C447P441-E443 VanDerWaalsContact C-N 3.26Å; P441-E443 PolarHBondContact O-N 2.9Å; E443-C447 PolarHBondContact O-N 3.42Å; E443-C447 VanDerWaalsContact O-N 3.09Å; E443-C447 PolarHBondContact O-SG 3.47Å
444D97.2Very high95.8Very high86 Ų8670 Ų7046%0.4639%0.385SS..Hα-helixtrans-73.1-41.4177.7-69.4-29.5000110.6L440 P441 F442 C447 Q448L440-D444 HydrophobicContact CD1-CB 3.81Å; L440-D444 HydrophobicContact CD2-CB 3.97Å; L440-D444 HydrophobicContact CG-CB 3.77Å; P441-D444 PolarHBondContact O-N 3.48Å; P441-D444 VanDerWaalsContact O-N 3.09Å; F442-D444 VanDerWaalsContact C-N 3.31Å; F442-D444 PolarHBondContact O-N 3Å; D444-C447 PolarHBondContact O-N 2.98Å; D444-Q448 WeakPolarHBondContact O-CG 3.46Å; D444-Q448 PolarHBondContact O-N 2.91Å; D444-Q448 VanDerWaalsContact O-N 3.08Å
445C96.3Very high95.9Very high2 Ų266.9 Ų66.91%0.01436%0.357CS..Hα-helixtrans-59.9-46.7173.8-1780000111.2Y425 L440 P441 F442 C447 Q448 M449Y425-C445 HydrophobicContact CE1-CB 3.96Å; Y425-C445 HydrophobicContact CE2-CB 4.32Å; Y425-C445 VanDerWaalsContact CE2-SG 3.53Å; L440-C445 HydrophobicContact CD2-CB 4.02Å; P441-C445 PolarHBondContact O-N 2.81Å; F442-C445 PolarHBondContact O-N 3.24Å; C445-C447 VanDerWaalsContact C-N 3.34Å; C445-C447 PolarHBondContact O-N 3.19Å; C445-Q448 WeakPolarHBondContact O-CB 3.39Å; C445-Q448 PolarHBondContact O-N 3.15Å; C445-Q448 VanDerWaalsContact O-N 3.16Å; C445-M449 WeakPolarHBondContact O-CG 3.32Å; C445-M449 PolarHBondContact O-N 3.33Å
446L96.4Very high96.1Very high17 Ų1768.2 Ų68.29%0.08936%0.362CS..Hα-helixtrans-59.5-43.9177.4179.263.3000111.4M418 L421 F442 Q448 M449 L450M418-L446 HydrophobicContact CE-CD2 4.05Å; M418-L446 HydrophobicContact CG-CD2 3.94Å; M418-L446 HydrophobicContact SD-CD2 3.92Å; L421-L446 HydrophobicContact CD1-CD1 3.77Å; F442-L446 HydrophobicContact CE1-CD2 4.16Å; F442-L446 HydrophobicContact CE2-CB 4.49Å; F442-L446 HydrophobicContact CZ-CB 4.32Å; F442-L446 HydrophobicContact CZ-CD1 4.43Å; F442-L446 HydrophobicContact CZ-CD2 4.3Å; F442-L446 VanDerWaalsContact O-CB 3.23Å; F442-L446 WeakPolarHBondContact O-CB 3.46Å; F442-L446 PolarHBondContact O-N 3.4Å; L446-Q448 VanDerWaalsContact C-N 3.34Å; L446-Q448 PolarHBondContact O-N 3.27Å; L446-M449 PolarHBondContact O-N 2.93Å; L446-L450 HydrophobicContact CD1-CD1 4.17Å; L446-L450 HydrophobicContact CD1-CG 4.16Å; L446-L450 HydrophobicContact CG-CD1 4.02Å; L446-L450 HydrophobicContact CG-CG 4.43Å; L446-L450 WeakPolarHBondContact O-CB 3.44Å; L446-L450 VanDerWaalsContact O-CG 3.3Å; L446-L450 WeakPolarHBondContact O-CG 3.34Å; L446-L450 PolarHBondContact O-N 3.33Å
447C95.8Very high96Very high73 Ų7367.7 Ų67.749%0.49335%0.349SS..Hα-helixtrans-58.3-46.9175.1-70.60000111.5E443 D444 C445 M449 L450 D451E443-C447 PolarHBondContact O-N 3.42Å; E443-C447 VanDerWaalsContact O-N 3.09Å; E443-C447 PolarHBondContact O-SG 3.47Å; D444-C447 PolarHBondContact O-N 2.98Å; C445-C447 VanDerWaalsContact C-N 3.34Å; C445-C447 PolarHBondContact O-N 3.19Å; C447-M449 PolarHBondContact O-N 3.28Å; C447-L450 PolarHBondContact O-N 2.79Å; C447-D451 PolarHBondContact O-N 2.65Å
448Q95.1Very high95.8Very high99 Ų9972.4 Ų72.446%0.46337%0.37SS..Hα-helixtrans-61.4-43.4177.6-68.5179.715.600112L440 D444 C445 L446 D451 L452L440-Q448 VanDerWaalsContact CD2-NE2 3.32Å; D444-Q448 WeakPolarHBondContact O-CG 3.46Å; D444-Q448 PolarHBondContact O-N 2.91Å; D444-Q448 VanDerWaalsContact O-N 3.08Å; C445-Q448 WeakPolarHBondContact O-CB 3.39Å; C445-Q448 PolarHBondContact O-N 3.15Å; C445-Q448 VanDerWaalsContact O-N 3.16Å; L446-Q448 VanDerWaalsContact C-N 3.34Å; L446-Q448 PolarHBondContact O-N 3.27Å; Q448-D451 PolarHBondContact O-N 3.16Å; Q448-L452 WeakPolarHBondContact O-CB 3.24Å; Q448-L452 PolarHBondContact O-N 3.01Å
449M96.3Very high95.3Very high9 Ų967.4 Ų67.44%0.04435%0.349CS..Hα-helixtrans-68.4-37.1-180-67.1-57.7112.400112.4C445 L446 C447 L452 V453 F475 T478 F479C445-M449 WeakPolarHBondContact O-CG 3.32Å; C445-M449 PolarHBondContact O-N 3.33Å; L446-M449 PolarHBondContact O-N 2.93Å; C447-M449 PolarHBondContact O-N 3.28Å; M449-L452 HydrophobicContact CE-CD1 4.41Å; M449-L452 PolarHBondContact O-N 3.28Å; M449-V453 WeakPolarHBondContact O-CB 3.29Å; M449-V453 VanDerWaalsContact O-CG2 3.31Å; M449-V453 WeakPolarHBondContact O-CG2 3.04Å; M449-V453 PolarHBondContact O-N 3.33Å; M449-F475 HydrophobicContact CB-CD2 4.11Å; M449-F475 HydrophobicContact CB-CE2 4.18Å; M449-F475 HydrophobicContact CG-CD2 4.28Å; M449-F475 HydrophobicContact SD-CB 4.4Å; M449-F475 HydrophobicContact SD-CD2 3.89Å; M449-T478 HydrophobicContact CE-CG2 4.09Å; M449-T478 HydrophobicContact SD-CG2 4.16Å; M449-F479 HydrophobicContact CB-CE2 4.38Å; M449-F479 HydrophobicContact CB-CZ 4.41Å; M449-F479 HydrophobicContact CG-CE2 3.75Å; M449-F479 HydrophobicContact CG-CZ 3.81Å; M449-F479 HydrophobicContact SD-CE2 4.24Å
450L96.3Very high95.2Very high35 Ų3571.4 Ų71.418%0.18336%0.364CS..Hα-helixtrans-66.4-39.6173.9-72.1172.5000111.9L446 C447 L452 K454 P455 I461L446-L450 HydrophobicContact CD1-CD1 4.17Å; L446-L450 HydrophobicContact CD1-CG 4.16Å; L446-L450 HydrophobicContact CG-CD1 4.02Å; L446-L450 HydrophobicContact CG-CG 4.43Å; L446-L450 WeakPolarHBondContact O-CB 3.44Å; L446-L450 VanDerWaalsContact O-CG 3.3Å; L446-L450 WeakPolarHBondContact O-CG 3.34Å; L446-L450 PolarHBondContact O-N 3.33Å; C447-L450 PolarHBondContact O-N 2.79Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L450-K454 WeakPolarHBondContact O-CA 3.26Å; L450-K454 PolarHBondContact O-N 2.82Å; L450-P455 HydrophobicContact CD2-CG 3.94Å; L450-I461 HydrophobicContact CD2-CD1 4.17Å; L450-I461 HydrophobicContact CD2-CG1 4.22Å
451D95.1Very high95.4Very high122 Ų12269.2 Ų69.265%0.65235%0.352SS*.Hα-helixtrans-67.5-33.5174.6-83.8-17.1000112.7C447 Q448 K454C447-D451 PolarHBondContact O-N 2.65Å; Q448-D451 PolarHBondContact O-N 3.16Å; D451-K454 WeakPolarHBondContact O-CE 3.31Å; D451-K454 WeakPolarHBondContact O-CG 3.44Å
452L95Very high95.5Very high37 Ų3768 Ų6819%0.19434%0.343CS..Hα-helixtrans-70.7-49.1175.8-178.2153.8000111.3Q448 M449 L450 L471 I474 F475Q448-L452 WeakPolarHBondContact O-CB 3.24Å; Q448-L452 PolarHBondContact O-N 3.01Å; M449-L452 HydrophobicContact CE-CD1 4.41Å; M449-L452 PolarHBondContact O-N 3.28Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L452-L471 HydrophobicContact CD1-CB 4.3Å; L452-L471 HydrophobicContact CD2-CB 3.66Å; L452-L471 HydrophobicContact CG-CB 3.97Å; L452-L471 HydrophobicContact CG-CD1 4.1Å; L452-I474 HydrophobicContact CD1-CB 4.11Å; L452-I474 HydrophobicContact CD1-CG2 3.87Å; L452-F475 HydrophobicContact CD2-CB 4.25Å
453V96.5Very high95.5Very high2 Ų269 Ų691%0.01235%0.35CS..Hα-helixtrans-78.8-36.2-174.9175.70000112.2M449 I461 D465 L466 F475M449-V453 WeakPolarHBondContact O-CB 3.29Å; M449-V453 VanDerWaalsContact O-CG2 3.31Å; M449-V453 WeakPolarHBondContact O-CG2 3.04Å; M449-V453 PolarHBondContact O-N 3.33Å; V453-I461 HydrophobicContact CG1-CG1 4.3Å; V453-I461 HydrophobicContact CG1-CG2 4.01Å; V453-I461 HydrophobicContact CG2-CD1 4.4Å; V453-D465 HydrophobicContact CG1-CB 3.73Å; V453-L466 HydrophobicContact CG1-CD2 4.37Å; V453-L466 HydrophobicContact CG2-CD2 3.79Å; V453-F475 HydrophobicContact CG2-CD2 3.59Å; V453-F475 HydrophobicContact CG2-CE2 4.03Å; V453-F475 HydrophobicContact CG2-CG 4.24Å
454K96.4Very high95.6Very high149 Ų14970.8 Ų70.865%0.64835%0.351SS*.  trans4866.9-173.7-58.5-175.4-178.7172.70111.6L450 D451 R468L450-K454 WeakPolarHBondContact O-CA 3.26Å; L450-K454 PolarHBondContact O-N 2.82Å; D451-K454 WeakPolarHBondContact O-CE 3.31Å; D451-K454 WeakPolarHBondContact O-CG 3.44Å; K454-R468 PolarHBondContact O-NH2 3.45Å
455P97Very high95.6Very high26 Ų2666.7 Ų66.717%0.16933%0.329CS..  trans-61.8149.1-176.927.3-34.7000111.7L450 V457 K460 I461 D465L450-P455 HydrophobicContact CD2-CG 3.94Å; P455-V457 VanDerWaalsContact C-N 3.25Å; P455-V457 WeakPolarHBondContact CB-O 3.44Å; P455-V457 PolarHBondContact O-N 3.43Å; P455-K460 VanDerWaalsContact CB-O 3.27Å; P455-K460 WeakPolarHBondContact CB-O 3.41Å; P455-I461 HydrophobicContact CB-CG1 4.43Å; P455-I461 HydrophobicContact CG-CG1 4.46Å; P455-D465 HydrophobicContact CB-CB 4.5Å
456E96.4Very high95.7Very high131 Ų13166.6 Ų66.661%0.61233%0.329SS*.SBendtrans-66.2-31.8179-175.5172.4178.700111.9R464 D465 R468E456-R464 IonicContact OE2-NH1 2.82Å; E456-R464 PolarHBondContact OE2-NH1 3.34Å; E456-D465 PolarHBondContact N-OD1 3.36Å; E456-R468 IonicContact OE2-NH1 2.92Å
457V94.6Very high95.8Very high84 Ų8467.7 Ų67.751%0.50933%0.332SS..BIsolated β-bridgetrans-115.2128.2174-178.50000108P455 D459 K460P455-V457 VanDerWaalsContact C-N 3.25Å; P455-V457 WeakPolarHBondContact CB-O 3.44Å; P455-V457 PolarHBondContact O-N 3.43Å; V457-D459 PolarHBondContact O-N 3.3Å; V457-K460 HydrophobicContact CB-CB 4.22Å; V457-K460 HydrophobicContact CG1-CB 4.31Å; V457-K460 HydrophobicContact CG1-CD 3.99Å; V457-K460 HydrophobicContact CG1-CG 4.29Å; V457-K460 PolarHBondContact O-N 3.46Å
458E90.4Very high95.8Very high167 Ų16769.6 Ų69.678%0.7833%0.329SS*.THydrogen-bonded Turntrans-52.4137.6178-162.9169.8-162.600110.6K460E458-K460 PolarHBondContact O-N 3.38Å; E458-K460 VanDerWaalsContact O-N 3.13Å
459D85.8Confident95.8Very high79 Ų7966 Ų6642%0.42232%0.315SS..THydrogen-bonded Turntrans59.816.4-179.5-55-34.2000116.3M418 V457M418-D459 HydrophobicContact CE-CB 3.78Å; M418-D459 VanDerWaalsContact CE-CG 3.42Å; M418-D459 WeakPolarHBondContact CE-OD1 3.2Å; V457-D459 PolarHBondContact O-N 3.3Å
460K92.9Very high95.7Very high110 Ų11071.5 Ų71.548%0.47834%0.339SS..BIsolated β-bridgetrans-132.599.7179.8-65-167.8-178.6-164.10111.7V415 P455 V457 E458 T462V415-K460 HydrophobicContact CG1-CB 3.65Å; V415-K460 HydrophobicContact CG1-CD 4.39Å; V415-K460 HydrophobicContact CG1-CG 3.98Å; P455-K460 VanDerWaalsContact CB-O 3.27Å; P455-K460 WeakPolarHBondContact CB-O 3.41Å; V457-K460 HydrophobicContact CB-CB 4.22Å; V457-K460 HydrophobicContact CG1-CB 4.31Å; V457-K460 HydrophobicContact CG1-CD 3.99Å; V457-K460 HydrophobicContact CG1-CG 4.29Å; V457-K460 PolarHBondContact O-N 3.46Å; E458-K460 PolarHBondContact O-N 3.38Å; E458-K460 VanDerWaalsContact O-N 3.13Å; K460-T462 PolarHBondContact O-N 2.95Å
461I98.2Very high95.6Very high2 Ų271.8 Ų71.81%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-87.2112.9177.7-63.2177.1000109.2L416 L421 L450 V453 P455 L466 F475L416-I461 HydrophobicContact CB-CB 4.27Å; L416-I461 HydrophobicContact CD1-CG2 4.42Å; L416-I461 PolarHBondContact N-O 3Å; L421-I461 HydrophobicContact CD1-CD1 4.16Å; L450-I461 HydrophobicContact CD2-CD1 4.17Å; L450-I461 HydrophobicContact CD2-CG1 4.22Å; V453-I461 HydrophobicContact CG1-CG1 4.3Å; V453-I461 HydrophobicContact CG1-CG2 4.01Å; V453-I461 HydrophobicContact CG2-CD1 4.4Å; P455-I461 HydrophobicContact CB-CG1 4.43Å; P455-I461 HydrophobicContact CG-CG1 4.46Å; I461-L466 HydrophobicContact CG2-CD1 4.01Å; I461-L466 HydrophobicContact CG2-CD2 4.24Å; I461-L466 HydrophobicContact CG2-CG 3.86Å; I461-F475 HydrophobicContact CD1-CE2 3.61Å; I461-F475 HydrophobicContact CD1-CZ 4.03Å; I461-F475 HydrophobicContact CG2-CZ 4.38Å
462T98.5Very high95.7Very high41 Ų4166 Ų6625%0.25231%0.309SS..EExtended strand (participates in β ladder)trans-98.3162174.672.90000111.4V415 K460 R464 D465 L466V415-T462 HydrophobicContact CG2-CG2 4.37Å; K460-T462 PolarHBondContact O-N 2.95Å; T462-R464 PolarHBondContact O-N 3.49Å; T462-R464 VanDerWaalsContact O-N 3.14Å; T462-R464 PolarHBondContact OG1-N 3.45Å; T462-D465 WeakPolarHBondContact CB-OD2 3.28Å; T462-D465 PolarHBondContact N-OD2 3.33Å; T462-D465 WeakPolarHBondContact O-CB 3.44Å; T462-D465 PolarHBondContact O-N 3.07Å; T462-D465 VanDerWaalsContact OG1-CG 3.31Å; T462-D465 PolarHBondContact OG1-N 3.13Å; T462-D465 PolarHBondContact OG1-OD2 2.89Å; T462-L466 PolarHBondContact O-N 3.3Å
463L98.4Very high95.7Very high49 Ų4965.3 Ų65.326%0.25731%0.305SS..Hα-helixtrans-52.1-37.1170.9174.662.1000112.3I401 E402 F405 D465 L466 K467I401-L463 HydrophobicContact CG2-CD1 3.76Å; E402-L463 HydrophobicContact CG-CD1 4.07Å; E402-L463 HydrophobicContact CG-CD2 3.83Å; F405-L463 HydrophobicContact CB-CD1 3.86Å; F405-L463 HydrophobicContact CD1-CB 3.99Å; F405-L463 HydrophobicContact CD2-CB 4.03Å; F405-L463 HydrophobicContact CD2-CD1 4.39Å; F405-L463 HydrophobicContact CE1-CB 4.08Å; F405-L463 HydrophobicContact CE2-CB 4.07Å; F405-L463 HydrophobicContact CG-CB 3.97Å; F405-L463 HydrophobicContact CG-CD1 4Å; F405-L463 HydrophobicContact CZ-CB 4.12Å; L463-D465 VanDerWaalsContact C-N 3.31Å; L463-D465 PolarHBondContact O-N 2.8Å; L463-L466 PolarHBondContact O-N 3.32Å; L463-K467 HydrophobicContact CD1-CG 4.39Å; L463-K467 WeakPolarHBondContact O-CG 3.2Å; L463-K467 PolarHBondContact O-N 2.91Å
464R98.2Very high95.7Very high166 Ų16666.3 Ų66.363%0.62631%0.31SS*.Hα-helixtrans-65.7-36.8178.8-174.2-177.7-177.2-153.80.1111.6E456 T462 R468E456-R464 IonicContact OE2-NH1 2.82Å; E456-R464 PolarHBondContact OE2-NH1 3.34Å; T462-R464 PolarHBondContact O-N 3.49Å; T462-R464 VanDerWaalsContact O-N 3.14Å; T462-R464 PolarHBondContact OG1-N 3.45Å; R464-R468 VanDerWaalsContact O-CB 3.26Å; R464-R468 WeakPolarHBondContact O-CB 3.12Å; R464-R468 PolarHBondContact O-N 3.02Å
465D98.3Very high95.8Very high1 Ų159.2 Ų59.21%0.00528%0.279CS..Hα-helixtrans-66.9-45.3178.7-59.3-58.8000110.5V453 P455 E456 T462 L463 K467 R468 C469V453-D465 HydrophobicContact CG1-CB 3.73Å; P455-D465 HydrophobicContact CB-CB 4.5Å; E456-D465 PolarHBondContact N-OD1 3.36Å; T462-D465 WeakPolarHBondContact CB-OD2 3.28Å; T462-D465 PolarHBondContact N-OD2 3.33Å; T462-D465 WeakPolarHBondContact O-CB 3.44Å; T462-D465 PolarHBondContact O-N 3.07Å; T462-D465 VanDerWaalsContact OG1-CG 3.31Å; T462-D465 PolarHBondContact OG1-N 3.13Å; T462-D465 PolarHBondContact OG1-OD2 2.89Å; L463-D465 VanDerWaalsContact C-N 3.31Å; L463-D465 PolarHBondContact O-N 2.8Å; D465-K467 PolarHBondContact O-N 2.74Å; D465-R468 WeakPolarHBondContact O-CB 3.17Å; D465-R468 PolarHBondContact O-N 2.96Å; D465-R468 VanDerWaalsContact O-N 3.09Å; D465-R468 IonicContact OD1-CZ 3.13Å; D465-R468 VanDerWaalsContact OD1-CZ 3.31Å; D465-R468 IonicContact OD1-NH1 2.77Å; D465-R468 PolarHBondContact OD1-NH1 3.15Å; D465-R468 IonicContact OD1-NH2 2.76Å; D465-R468 PolarHBondContact OD1-NH2 3.29Å; D465-C469 PolarHBondContact O-N 3.35Å
466L98.4Very high95.8Very high0 Ų058 Ų580%027%0.271CS..Hα-helixtrans-62.3-42.7177.3-71.8166.3000112.7I401 F405 L416 V453 I461 T462 L463 R468 C469 A472 F475 F476I401-L466 HydrophobicContact CG2-CB 3.97Å; F405-L466 HydrophobicContact CD2-CD1 3.68Å; F405-L466 HydrophobicContact CE2-CD1 4.22Å; L416-L466 HydrophobicContact CD1-CD1 4.25Å; V453-L466 HydrophobicContact CG1-CD2 4.37Å; V453-L466 HydrophobicContact CG2-CD2 3.79Å; I461-L466 HydrophobicContact CG2-CD1 4.01Å; I461-L466 HydrophobicContact CG2-CD2 4.24Å; I461-L466 HydrophobicContact CG2-CG 3.86Å; T462-L466 PolarHBondContact O-N 3.3Å; L463-L466 PolarHBondContact O-N 3.32Å; L466-R468 VanDerWaalsContact C-N 3.28Å; L466-R468 PolarHBondContact O-N 3.18Å; L466-C469 PolarHBondContact O-N 3.42Å; L466-C469 PolarHBondContact O-SG 3.08Å; L466-A472 HydrophobicContact CB-CB 4.14Å; L466-A472 HydrophobicContact CD2-CB 4.29Å; L466-F475 HydrophobicContact CD1-CD1 4.4Å; L466-F475 HydrophobicContact CD1-CE1 4.16Å; L466-F475 HydrophobicContact CD2-CB 4.12Å; L466-F475 HydrophobicContact CD2-CD1 3.52Å; L466-F475 HydrophobicContact CD2-CD2 4.12Å; L466-F475 HydrophobicContact CD2-CE1 3.89Å; L466-F475 HydrophobicContact CD2-CE2 4.42Å; L466-F475 HydrophobicContact CD2-CG 3.65Å; L466-F475 HydrophobicContact CD2-CZ 4.31Å; L466-F476 HydrophobicContact CD1-CE1 4.21Å; L466-F476 HydrophobicContact CD1-CZ 4.03Å
467K97.5Very high95.8Very high39 Ų3952 Ų5217%0.1724%0.243CC..Hα-helixtrans-64.4-32.7173.6-72.2-172.7171.6-159.50113.4D398 I401 E402 L463 D465D398-K467 WeakPolarHBondContact O-CE 3.36Å; D398-K467 PolarHBondContact O-NZ 3.13Å; D398-K467 IonicContact OD1-NZ 3.24Å; D398-K467 IonicContact OD2-NZ 3.31Å; D398-K467 PolarHBondContact OD2-NZ 3.04Å; I401-K467 HydrophobicContact CB-CG 4.41Å; I401-K467 HydrophobicContact CD1-CG 4.2Å; I401-K467 HydrophobicContact CG2-CG 3.9Å; E402-K467 WeakPolarHBondContact OE1-CE 3.23Å; E402-K467 IonicContact OE1-NZ 3.95Å; E402-K467 PolarHBondContact OE1-NZ 3.46Å; L463-K467 HydrophobicContact CD1-CG 4.39Å; L463-K467 WeakPolarHBondContact O-CG 3.2Å; L463-K467 PolarHBondContact O-N 2.91Å; D465-K467 PolarHBondContact O-N 2.74Å
468R96.9Very high95.9Very high113 Ų11348.3 Ų48.343%0.42622%0.221SC..Hα-helixtrans-76.2-36.1-179.2-176.5-179.768.3-133.7-5.4112K454 E456 R464 D465 L466 K470K454-R468 PolarHBondContact O-NH2 3.45Å; E456-R468 IonicContact OE2-NH1 2.92Å; R464-R468 VanDerWaalsContact O-CB 3.26Å; R464-R468 WeakPolarHBondContact O-CB 3.12Å; R464-R468 PolarHBondContact O-N 3.02Å; D465-R468 WeakPolarHBondContact O-CB 3.17Å; D465-R468 PolarHBondContact O-N 2.96Å; D465-R468 VanDerWaalsContact O-N 3.09Å; D465-R468 IonicContact OD1-CZ 3.13Å; D465-R468 VanDerWaalsContact OD1-CZ 3.31Å; D465-R468 IonicContact OD1-NH1 2.77Å; D465-R468 PolarHBondContact OD1-NH1 3.15Å; D465-R468 IonicContact OD1-NH2 2.76Å; D465-R468 PolarHBondContact OD1-NH2 3.29Å; L466-R468 VanDerWaalsContact C-N 3.28Å; L466-R468 PolarHBondContact O-N 3.18Å; R468-K470 VanDerWaalsContact C-N 3.28Å; R468-K470 PolarHBondContact O-N 2.86Å
469C95Very high96.2Very high23 Ų2340.4 Ų40.416%0.15518%0.184CC..Hα-helixtrans-73-18.7-17376.30000113.9D465 L466 L471D465-C469 PolarHBondContact O-N 3.35Å; L466-C469 PolarHBondContact O-N 3.42Å; L466-C469 PolarHBondContact O-SG 3.08Å; C469-L471 PolarHBondContact O-N 3.5Å; C469-L471 PolarHBondContact SG-N 3.35Å
470K94.1Very high96.7Very high126 Ų12636.6 Ų36.655%0.54816%0.164SC..SBendtrans62.41.4-178.2-55.5-58-172.6174.70115.5R468R468-K470 VanDerWaalsContact C-N 3.28Å; R468-K470 PolarHBondContact O-N 2.86Å
471L94.8Very high96.8Very high41 Ų4131.4 Ų31.422%0.21514%0.141CC..  trans-11521179-61.3175.6000112.1L452 C469 H473 I474 F475 V496 A500L452-L471 HydrophobicContact CD1-CB 4.3Å; L452-L471 HydrophobicContact CD2-CB 3.66Å; L452-L471 HydrophobicContact CG-CB 3.97Å; L452-L471 HydrophobicContact CG-CD1 4.1Å; C469-L471 PolarHBondContact O-N 3.5Å; C469-L471 PolarHBondContact SG-N 3.35Å; L471-H473 PolarHBondContact O-N 3.32Å; L471-I474 HydrophobicContact CB-CD1 4.48Å; L471-I474 HydrophobicContact CD2-CD1 4.03Å; L471-I474 PolarHBondContact O-N 3.04Å; L471-I474 VanDerWaalsContact O-N 3.16Å; L471-F475 PolarHBondContact O-N 3.44Å; L471-V496 HydrophobicContact CD2-CG1 4.09Å; L471-A500 HydrophobicContact CD2-CB 4.48Å
472A96.6Very high96.6Very high1 Ų131.8 Ų31.81%0.00814%0.143CC..Hα-helixtrans-58.6-32.8-178.700000113.2I401 L466 I474 F475 F476I401-A472 HydrophobicContact CD1-CB 3.85Å; I401-A472 HydrophobicContact CG1-CB 3.84Å; I401-A472 HydrophobicContact CG2-CB 4.34Å; L466-A472 HydrophobicContact CB-CB 4.14Å; L466-A472 HydrophobicContact CD2-CB 4.29Å; A472-I474 PolarHBondContact O-N 3.04Å; A472-F475 WeakPolarHBondContact O-CB 2.79Å; A472-F475 PolarHBondContact O-N 2.94Å; A472-F476 HydrophobicContact CB-CD2 4.29Å; A472-F476 HydrophobicContact CB-CE2 3.9Å; A472-F476 WeakPolarHBondContact O-CB 3.01Å; A472-F476 WeakPolarHBondContact O-CD2 3.49Å; A472-F476 WeakPolarHBondContact O-CG 3.37Å; A472-F476 PolarHBondContact O-N 3.38Å
473H95.6Very high96.3Very high22 Ų2234.4 Ų34.410%0.10215%0.152CC..Hα-helixtrans-58.4-45.4175.760.1-75000112.3K395 K396 L471 F476 D477K395-H473 HydrophobicContact CB-CB 3.69Å; K396-H473 HydrophobicContact CG-CB 4.09Å; L471-H473 PolarHBondContact O-N 3.32Å; H473-F476 PolarHBondContact O-N 3.47Å; H473-D477 WeakPolarHBondContact O-CB 2.99Å; H473-D477 VanDerWaalsContact O-CG 3.22Å; H473-D477 PolarHBondContact O-N 2.95Å
474I95.8Very high96Very high23 Ų2334 Ų3412%0.11815%0.148CC..Hα-helixtrans-62.5-47.7175.3-56.2179.2000110L452 L471 A472 F476 D477 T478 V496L452-I474 HydrophobicContact CD1-CB 4.11Å; L452-I474 HydrophobicContact CD1-CG2 3.87Å; L471-I474 HydrophobicContact CB-CD1 4.48Å; L471-I474 HydrophobicContact CD2-CD1 4.03Å; L471-I474 PolarHBondContact O-N 3.04Å; L471-I474 VanDerWaalsContact O-N 3.16Å; A472-I474 PolarHBondContact O-N 3.04Å; I474-F476 VanDerWaalsContact C-N 3.32Å; I474-F476 PolarHBondContact O-N 2.96Å; I474-D477 PolarHBondContact O-N 2.66Å; I474-T478 PolarHBondContact O-N 3.28Å; I474-T478 PolarHBondContact O-OG1 3.1Å; I474-V496 HydrophobicContact CD1-CG1 3.6Å
475F97.6Very high95.8Very high0 Ų027.2 Ų27.20%012%0.123CC..Hα-helixtrans-53.8-49.9177.7173.9-87.5000111.5M408 L416 L421 M449 L452 V453 I461 L466 L471 A472 T478 F479M408-F475 HydrophobicContact CE-CE1 4.24Å; M408-F475 HydrophobicContact SD-CE1 4.15Å; L416-F475 HydrophobicContact CD1-CE1 3.85Å; L416-F475 HydrophobicContact CD1-CZ 3.9Å; L421-F475 HydrophobicContact CD2-CE2 4.41Å; L421-F475 HydrophobicContact CD2-CZ 3.71Å; M449-F475 HydrophobicContact CB-CD2 4.11Å; M449-F475 HydrophobicContact CB-CE2 4.18Å; M449-F475 HydrophobicContact CG-CD2 4.28Å; M449-F475 HydrophobicContact SD-CB 4.4Å; M449-F475 HydrophobicContact SD-CD2 3.89Å; L452-F475 HydrophobicContact CD2-CB 4.25Å; V453-F475 HydrophobicContact CG2-CD2 3.59Å; V453-F475 HydrophobicContact CG2-CE2 4.03Å; V453-F475 HydrophobicContact CG2-CG 4.24Å; I461-F475 HydrophobicContact CD1-CE2 3.61Å; I461-F475 HydrophobicContact CD1-CZ 4.03Å; I461-F475 HydrophobicContact CG2-CZ 4.38Å; L466-F475 HydrophobicContact CD1-CD1 4.4Å; L466-F475 HydrophobicContact CD1-CE1 4.16Å; L466-F475 HydrophobicContact CD2-CB 4.12Å; L466-F475 HydrophobicContact CD2-CD1 3.52Å; L466-F475 HydrophobicContact CD2-CD2 4.12Å; L466-F475 HydrophobicContact CD2-CE1 3.89Å; L466-F475 HydrophobicContact CD2-CE2 4.42Å; L466-F475 HydrophobicContact CD2-CG 3.65Å; L466-F475 HydrophobicContact CD2-CZ 4.31Å; L471-F475 PolarHBondContact O-N 3.44Å; A472-F475 WeakPolarHBondContact O-CB 2.79Å; A472-F475 PolarHBondContact O-N 2.94Å; F475-T478 PolarHBondContact O-N 2.84Å; F475-F479 HydrophobicContact CD1-CD2 4.29Å; F475-F479 HydrophobicContact CD2-CD2 4.36Å; F475-F479 AromaticContact CD2-CE2 3.83Å; F475-F479 HydrophobicContact CD2-CE2 3.83Å; F475-F479 HydrophobicContact CE1-CD2 4.05Å; F475-F479 HydrophobicContact CE1-CE2 4.19Å; F475-F479 HydrophobicContact CE2-CD2 4.15Å; F475-F479 AromaticContact CE2-CE2 3.47Å; F475-F479 HydrophobicContact CE2-CE2 3.47Å; F475-F479 VanDerWaalsContact CE2-CE2 3.47Å; F475-F479 HydrophobicContact CE2-CZ 4.41Å; F475-F479 HydrophobicContact CG-CD2 4.44Å; F475-F479 HydrophobicContact CG-CE2 4.34Å; F475-F479 AromaticContact CZ-CD2 3.99Å; F475-F479 HydrophobicContact CZ-CD2 3.99Å; F475-F479 AromaticContact CZ-CE2 3.68Å; F475-F479 HydrophobicContact CZ-CE2 3.68Å; F475-F479 WeakPolarHBondContact O-CD2 3.33Å; F475-F479 PolarHBondContact O-N 3.31Å
476F98Very high95.5Very high0 Ų029 Ų290%013%0.132CC..Hα-helixtrans-64.6-46.2180-71.8-44000112.7K395 I401 W404 M408 L466 A472 H473 I474 T478 F479 F480K395-F476 HydrophobicContact CB-CD2 4.41Å; K395-F476 HydrophobicContact CD-CB 3.88Å; I401-F476 HydrophobicContact CB-CE2 4.18Å; I401-F476 HydrophobicContact CG1-CE2 4.11Å; I401-F476 HydrophobicContact CG2-CE2 4.04Å; I401-F476 HydrophobicContact CG2-CZ 4.06Å; W404-F476 HydrophobicContact CB-CD1 3.79Å; W404-F476 HydrophobicContact CB-CD2 4.12Å; W404-F476 HydrophobicContact CB-CE1 3.62Å; W404-F476 HydrophobicContact CB-CE2 3.99Å; W404-F476 HydrophobicContact CB-CG 4.05Å; W404-F476 HydrophobicContact CB-CZ 3.72Å; W404-F476 HydrophobicContact CG-CD2 4.47Å; W404-F476 HydrophobicContact CG-CG 4.49Å; M408-F476 HydrophobicContact SD-CD1 3.67Å; M408-F476 HydrophobicContact SD-CE1 3.88Å; L466-F476 HydrophobicContact CD1-CE1 4.21Å; L466-F476 HydrophobicContact CD1-CZ 4.03Å; A472-F476 HydrophobicContact CB-CD2 4.29Å; A472-F476 HydrophobicContact CB-CE2 3.9Å; A472-F476 WeakPolarHBondContact O-CB 3.01Å; A472-F476 WeakPolarHBondContact O-CD2 3.49Å; A472-F476 WeakPolarHBondContact O-CG 3.37Å; A472-F476 PolarHBondContact O-N 3.38Å; H473-F476 PolarHBondContact O-N 3.47Å; I474-F476 VanDerWaalsContact C-N 3.32Å; I474-F476 PolarHBondContact O-N 2.96Å; F476-T478 VanDerWaalsContact C-N 3.29Å; F476-T478 PolarHBondContact O-N 3.46Å; F476-F479 PolarHBondContact O-N 2.87Å; F476-F479 VanDerWaalsContact O-N 3.1Å; F476-F480 HydrophobicContact CB-CE1 3.66Å; F476-F480 HydrophobicContact CB-CE2 4.33Å; F476-F480 HydrophobicContact CB-CZ 3.49Å; F476-F480 VanDerWaalsContact CB-CZ 3.49Å; F476-F480 AromaticContact CD1-CE1 3.69Å; F476-F480 HydrophobicContact CD1-CE1 3.69Å; F476-F480 HydrophobicContact CD1-CZ 4.09Å; F476-F480 AromaticContact CG-CE1 4Å; F476-F480 HydrophobicContact CG-CE1 4Å; F476-F480 AromaticContact CG-CZ 3.97Å; F476-F480 HydrophobicContact CG-CZ 3.97Å; F476-F480 VanDerWaalsContact O-CD1 3.26Å; F476-F480 WeakPolarHBondContact O-CD1 3.4Å; F476-F480 WeakPolarHBondContact O-CE1 3.47Å; F476-F480 WeakPolarHBondContact O-CG 3.23Å; F476-F480 PolarHBondContact O-N 2.88Å; F476-F480 VanDerWaalsContact O-N 3.14Å
477D96.7Very high95Very high5 Ų532.3 Ų32.33%0.02715%0.15CC..Hα-helixtrans-61.6-39.2-179.2-66.7-30.8000111.2K395 H473 I474 F479 F480 N481 K484 H488K395-D477 WeakPolarHBondContact CD-OD1 3.45Å; K395-D477 VanDerWaalsContact CE-OD1 3.23Å; K395-D477 WeakPolarHBondContact CE-OD1 3.24Å; K395-D477 IonicContact NZ-OD1 2.75Å; K395-D477 PolarHBondContact NZ-OD1 2.99Å; H473-D477 WeakPolarHBondContact O-CB 2.99Å; H473-D477 VanDerWaalsContact O-CG 3.22Å; H473-D477 PolarHBondContact O-N 2.95Å; I474-D477 PolarHBondContact O-N 2.66Å; D477-F479 VanDerWaalsContact C-N 3.27Å; D477-F479 PolarHBondContact O-N 2.82Å; D477-F480 PolarHBondContact O-N 3.1Å; D477-N481 HydrophobicContact CB-CB 4.26Å; D477-N481 CarbonylContact O-C 3.48Å; D477-N481 PolarHBondContact O-N 3.13Å; D477-K484 HydrophobicContact CB-CB 4.02Å; D477-K484 VanDerWaalsContact CG-CB 3.43Å; D477-K484 WeakPolarHBondContact OD2-CB 3.31Å; D477-H488 IonicContact OD2-CD2 2.91Å; D477-H488 IonicContact OD2-CE1 3.23Å; D477-H488 IonicContact OD2-NE2 2.67Å; D477-H488 PolarHBondContact OD2-NE2 3.23Å
478T96.5Very high94.5Very high7 Ų732 Ų324%0.04315%0.149CC..Hα-helixtrans-53.7-41.1173.6-62.30000113Y425 Q428 M449 I474 F475 F476 Y485Y425-T478 HydrophobicContact CE2-CG2 4.21Å; Q428-T478 PolarHBondContact NE2-O 2.77Å; M449-T478 HydrophobicContact CE-CG2 4.09Å; M449-T478 HydrophobicContact SD-CG2 4.16Å; I474-T478 PolarHBondContact O-N 3.28Å; I474-T478 PolarHBondContact O-OG1 3.1Å; F475-T478 PolarHBondContact O-N 2.84Å; F476-T478 VanDerWaalsContact C-N 3.29Å; F476-T478 PolarHBondContact O-N 3.46Å; T478-Y485 HydrophobicContact CG2-CD2 4.41Å; T478-Y485 HydrophobicContact CG2-CE2 4.25Å
479F97.4Very high93.9Very high0 Ų032.2 Ų32.20%016%0.155CC..Hα-helixtrans-87.8-21.1-174.5-73.7-68.3000114.8M408 L421 F424 Y425 Q428 F442 M449 F475 F476 D477M408-F479 HydrophobicContact CE-CB 3.73Å; M408-F479 HydrophobicContact CE-CD2 3.96Å; M408-F479 HydrophobicContact CE-CG 3.84Å; L421-F479 HydrophobicContact CB-CD1 4.48Å; L421-F479 HydrophobicContact CB-CE1 3.77Å; L421-F479 HydrophobicContact CB-CZ 3.99Å; L421-F479 HydrophobicContact CD1-CZ 4.25Å; L421-F479 HydrophobicContact CD2-CD2 4.32Å; L421-F479 HydrophobicContact CD2-CE1 4.23Å; L421-F479 HydrophobicContact CD2-CE2 3.97Å; L421-F479 HydrophobicContact CD2-CZ 3.92Å; L421-F479 HydrophobicContact CG-CE1 4.46Å; L421-F479 HydrophobicContact CG-CZ 4.25Å; L421-F479 WeakPolarHBondContact O-CD1 3.27Å; F424-F479 HydrophobicContact CB-CB 4.33Å; Y425-F479 HydrophobicContact CD2-CD1 4.12Å; Y425-F479 HydrophobicContact CD2-CE1 4.26Å; Y425-F479 HydrophobicContact CG-CD1 4.4Å; Y425-F479 HydrophobicContact CG-CE1 4.36Å; Q428-F479 VanDerWaalsContact CG-C 3.41Å; Q428-F479 WeakPolarHBondContact CG-O 3.39Å; F442-F479 HydrophobicContact CE2-CE1 4.41Å; M449-F479 HydrophobicContact CB-CE2 4.38Å; M449-F479 HydrophobicContact CB-CZ 4.41Å; M449-F479 HydrophobicContact CG-CE2 3.75Å; M449-F479 HydrophobicContact CG-CZ 3.81Å; M449-F479 HydrophobicContact SD-CE2 4.24Å; F475-F479 HydrophobicContact CD1-CD2 4.29Å; F475-F479 HydrophobicContact CD2-CD2 4.36Å; F475-F479 AromaticContact CD2-CE2 3.83Å; F475-F479 HydrophobicContact CD2-CE2 3.83Å; F475-F479 HydrophobicContact CE1-CD2 4.05Å; F475-F479 HydrophobicContact CE1-CE2 4.19Å; F475-F479 HydrophobicContact CE2-CD2 4.15Å; F475-F479 AromaticContact CE2-CE2 3.47Å; F475-F479 HydrophobicContact CE2-CE2 3.47Å; F475-F479 VanDerWaalsContact CE2-CE2 3.47Å; F475-F479 HydrophobicContact CE2-CZ 4.41Å; F475-F479 HydrophobicContact CG-CD2 4.44Å; F475-F479 HydrophobicContact CG-CE2 4.34Å; F475-F479 AromaticContact CZ-CD2 3.99Å; F475-F479 HydrophobicContact CZ-CD2 3.99Å; F475-F479 AromaticContact CZ-CE2 3.68Å; F475-F479 HydrophobicContact CZ-CE2 3.68Å; F475-F479 WeakPolarHBondContact O-CD2 3.33Å; F475-F479 PolarHBondContact O-N 3.31Å; F476-F479 PolarHBondContact O-N 2.87Å; F476-F479 VanDerWaalsContact O-N 3.1Å; D477-F479 VanDerWaalsContact C-N 3.27Å; D477-F479 PolarHBondContact O-N 2.82Å
480F96.1Very high93.4Very high0 Ų038.5 Ų38.50%018%0.182CC..Hα-helixtrans-154.5-1.5-173.462.2-112.4000117.9I355 S356 L359 K395 W404 M408 F476 D477I355-F480 WeakPolarHBondContact CA-O 3.3Å; S356-F480 PolarHBondContact N-O 3.04Å; S356-F480 VanDerWaalsContact N-O 3.12Å; L359-F480 HydrophobicContact CB-CB 4.34Å; L359-F480 HydrophobicContact CD1-CD1 4.04Å; L359-F480 HydrophobicContact CD1-CE1 4.36Å; L359-F480 HydrophobicContact CD1-CG 4.29Å; L359-F480 HydrophobicContact CD2-CB 3.85Å; L359-F480 HydrophobicContact CD2-CD1 3.85Å; L359-F480 HydrophobicContact CD2-CD2 3.24Å; L359-F480 HydrophobicContact CD2-CE1 4.11Å; L359-F480 HydrophobicContact CD2-CE2 3.55Å; L359-F480 HydrophobicContact CD2-CG 3.39Å; L359-F480 HydrophobicContact CD2-CZ 3.95Å; L359-F480 HydrophobicContact CG-CB 4.49Å; L359-F480 HydrophobicContact CG-CG 4.33Å; K395-F480 HydrophobicContact CD-CE2 4.45Å; K395-F480 HydrophobicContact CD-CZ 4.49Å; W404-F480 HydrophobicContact CB-CE1 4.33Å; W404-F480 HydrophobicContact CB-CZ 4Å; W404-F480 HydrophobicContact CD2-CE2 4.07Å; W404-F480 AromaticContact CD2-CZ 3.59Å; W404-F480 HydrophobicContact CD2-CZ 3.59Å; W404-F480 HydrophobicContact CE3-CE1 4.42Å; W404-F480 HydrophobicContact CE3-CE2 4.03Å; W404-F480 AromaticContact CE3-CZ 3.69Å; W404-F480 HydrophobicContact CE3-CZ 3.69Å; W404-F480 AromaticContact CG-CZ 3.72Å; W404-F480 HydrophobicContact CG-CZ 3.72Å; W404-F480 HydrophobicContact CZ3-CE2 4.36Å; W404-F480 HydrophobicContact CZ3-CZ 4.46Å; M408-F480 HydrophobicContact CG-CD1 4.43Å; M408-F480 HydrophobicContact CG-CE1 4.27Å; M408-F480 HydrophobicContact SD-CD1 4.07Å; M408-F480 HydrophobicContact SD-CE1 3.82Å; F476-F480 HydrophobicContact CB-CE1 3.66Å; F476-F480 HydrophobicContact CB-CE2 4.33Å; F476-F480 HydrophobicContact CB-CZ 3.49Å; F476-F480 VanDerWaalsContact CB-CZ 3.49Å; F476-F480 AromaticContact CD1-CE1 3.69Å; F476-F480 HydrophobicContact CD1-CE1 3.69Å; F476-F480 HydrophobicContact CD1-CZ 4.09Å; F476-F480 AromaticContact CG-CE1 4Å; F476-F480 HydrophobicContact CG-CE1 4Å; F476-F480 AromaticContact CG-CZ 3.97Å; F476-F480 HydrophobicContact CG-CZ 3.97Å; F476-F480 VanDerWaalsContact O-CD1 3.26Å; F476-F480 WeakPolarHBondContact O-CD1 3.4Å; F476-F480 WeakPolarHBondContact O-CE1 3.47Å; F476-F480 WeakPolarHBondContact O-CG 3.23Å; F476-F480 PolarHBondContact O-N 2.88Å; F476-F480 VanDerWaalsContact O-N 3.14Å; D477-F480 PolarHBondContact O-N 3.1Å
481N95.4Very high92.7Very high1 Ų138.4 Ų38.41%0.00518%0.179CC..BIsolated β-bridgetrans-123.899.1176.6-171.6-46.5000110.3E392 D477 E483 K484 Y485E392-N481 PolarHBondContact OE1-ND2 3Å; D477-N481 HydrophobicContact CB-CB 4.26Å; D477-N481 CarbonylContact O-C 3.48Å; D477-N481 PolarHBondContact O-N 3.13Å; N481-E483 PolarHBondContact O-N 3.49Å; N481-E483 PolarHBondContact OD1-N 2.82Å; N481-K484 HydrophobicContact CB-CB 4.45Å; N481-K484 WeakPolarHBondContact OD1-CB 3.28Å; N481-K484 PolarHBondContact OD1-N 2.77Å; N481-Y485 WeakPolarHBondContact O-CB 3.26Å; N481-Y485 PolarHBondContact O-N 3.28Å
482I92.3Very high91.6Very high9 Ų940.3 Ų40.35%0.04619%0.189CC..Hα-helixtrans-65-39.2-173.4-171.361.3000113.2A354 K431 L432 M435 Y485 L486A354-I482 PolarHBondContact O-N 3.06Å; K431-I482 HydrophobicContact CB-CG1 4.43Å; K431-I482 HydrophobicContact CD-CB 4.42Å; K431-I482 HydrophobicContact CD-CG2 4.35Å; L432-I482 HydrophobicContact CD1-CD1 4.47Å; L432-I482 HydrophobicContact CD2-CD1 3.45Å; L432-I482 VanDerWaalsContact CD2-CD1 3.45Å; L432-I482 HydrophobicContact CG-CD1 3.57Å; M435-I482 HydrophobicContact CE-CG1 3.92Å; M435-I482 HydrophobicContact CE-CG2 4.22Å; M435-I482 HydrophobicContact SD-CG1 4.18Å; I482-Y485 HydrophobicContact CD1-CD1 4.33Å; I482-L486 HydrophobicContact CD1-CG 4.47Å; I482-L486 HydrophobicContact CG1-CD1 4.29Å; I482-L486 VanDerWaalsContact O-CG 3.28Å; I482-L486 WeakPolarHBondContact O-CG 3.35Å; I482-L486 PolarHBondContact O-N 3.45Å
483E92.1Very high90.1Very high96 Ų9644.9 Ų44.945%0.44922%0.218SC..Hα-helixtrans-69.7-51-175.9-172-171.9166.700110.9A354 N481 Y485 L486 N487A354-E483 HydrophobicContact CB-CB 4.32Å; N481-E483 PolarHBondContact O-N 3.49Å; N481-E483 PolarHBondContact OD1-N 2.82Å; E483-Y485 VanDerWaalsContact C-N 3.31Å; E483-Y485 PolarHBondContact O-N 3.29Å; E483-L486 PolarHBondContact O-N 3.23Å; E483-N487 PolarHBondContact O-N 3.44Å; E483-N487 PolarHBondContact O-ND2 3.19Å
484K93.2Very high88.8Confident40 Ų4050.4 Ų50.417%0.17424%0.242CC..Hα-helixtrans-66-34.9178.2-67.6179176.5166.90111.1E392 E393 D477 N481 N487 H488E392-K484 VanDerWaalsContact CD-NZ 3.27Å; E392-K484 PolarHBondContact O-NZ 3.06Å; E392-K484 VanDerWaalsContact O-NZ 3.12Å; E392-K484 IonicContact OE1-NZ 3.1Å; E392-K484 PolarHBondContact OE1-NZ 3.28Å; E392-K484 IonicContact OE2-NZ 2.97Å; E392-K484 PolarHBondContact OE2-NZ 2.98Å; E393-K484 IonicContact OE2-NZ 3.36Å; E393-K484 PolarHBondContact OE2-NZ 2.66Å; D477-K484 HydrophobicContact CB-CB 4.02Å; D477-K484 VanDerWaalsContact CG-CB 3.43Å; D477-K484 WeakPolarHBondContact OD2-CB 3.31Å; N481-K484 HydrophobicContact CB-CB 4.45Å; N481-K484 WeakPolarHBondContact OD1-CB 3.28Å; N481-K484 PolarHBondContact OD1-N 2.77Å; K484-N487 PolarHBondContact O-N 3.36Å; K484-H488 PolarHBondContact O-CD2 3.01Å; K484-H488 PolarHBondContact O-N 3.28Å; K484-H488 PolarHBondContact O-NE2 3.04Å
485Y92.8Very high87.6Confident25 Ų2550.6 Ų50.610%0.09825%0.246CC..Hα-helixtrans-57.8-51.5171.1170.3-105.4000112.4L432 T478 N481 I482 E483 N487 H488 E489L432-Y485 HydrophobicContact CD1-CE1 4.1Å; L432-Y485 HydrophobicContact CD2-CD1 4.41Å; L432-Y485 HydrophobicContact CD2-CE1 4.07Å; T478-Y485 HydrophobicContact CG2-CD2 4.41Å; T478-Y485 HydrophobicContact CG2-CE2 4.25Å; N481-Y485 WeakPolarHBondContact O-CB 3.26Å; N481-Y485 PolarHBondContact O-N 3.28Å; I482-Y485 HydrophobicContact CD1-CD1 4.33Å; E483-Y485 VanDerWaalsContact C-N 3.31Å; E483-Y485 PolarHBondContact O-N 3.29Å; Y485-N487 PolarHBondContact O-N 3.49Å; Y485-H488 PolarHBondContact O-N 3.4Å; Y485-H488 VanDerWaalsContact O-N 3.11Å; Y485-E489 HydrophobicContact CD2-CG 4.36Å; Y485-E489 HydrophobicContact CE1-CG 4.07Å; Y485-E489 HydrophobicContact CE2-CG 3.85Å; Y485-E489 PolarHBondContact O-N 3.25Å
486L92Very high86.1Confident37 Ų3752 Ų5219%0.19425%0.254CS..Hα-helixtrans-62.6-34179.3-70.2173.7000112.2L432 M435 I437 I482 E483 E489 Q490L432-L486 HydrophobicContact CD2-CD2 4.03Å; M435-L486 HydrophobicContact SD-CD1 4.14Å; I437-L486 HydrophobicContact CD1-CD1 4.28Å; I437-L486 HydrophobicContact CD1-CD2 3.73Å; I482-L486 HydrophobicContact CD1-CG 4.47Å; I482-L486 HydrophobicContact CG1-CD1 4.29Å; I482-L486 VanDerWaalsContact O-CG 3.28Å; I482-L486 WeakPolarHBondContact O-CG 3.35Å; I482-L486 PolarHBondContact O-N 3.45Å; E483-L486 PolarHBondContact O-N 3.23Å; L486-E489 PolarHBondContact O-N 3.17Å; L486-Q490 VanDerWaalsContact O-CG 3.31Å; L486-Q490 WeakPolarHBondContact O-CG 3.35Å; L486-Q490 PolarHBondContact O-N 3.12Å
487N89.1Confident84.5Confident71 Ų7156.5 Ų56.538%0.3828%0.277SS..Hα-helixtrans-65.2-39174.5-71.9-26.7000112.2E483 K484 Y485 R491E483-N487 PolarHBondContact O-N 3.44Å; E483-N487 PolarHBondContact O-ND2 3.19Å; K484-N487 PolarHBondContact O-N 3.36Å; Y485-N487 PolarHBondContact O-N 3.49Å; N487-R491 WeakPolarHBondContact O-CG 3.37Å; N487-R491 PolarHBondContact O-N 3.16Å
488H86.9Confident83Confident32 Ų3263.3 Ų63.315%0.14830%0.303CS..Hα-helixtrans-68-41.3176-63.8-47.5000112.2D477 K484 Y485 Q490 R491D477-H488 IonicContact OD2-CD2 2.91Å; D477-H488 IonicContact OD2-CE1 3.23Å; D477-H488 IonicContact OD2-NE2 2.67Å; D477-H488 PolarHBondContact OD2-NE2 3.23Å; K484-H488 PolarHBondContact O-CD2 3.01Å; K484-H488 PolarHBondContact O-N 3.28Å; K484-H488 PolarHBondContact O-NE2 3.04Å; Y485-H488 PolarHBondContact O-N 3.4Å; Y485-H488 VanDerWaalsContact O-N 3.11Å; H488-Q490 PolarHBondContact O-N 3.48Å; H488-R491 PolarHBondContact O-N 3.32Å; H488-R491 VanDerWaalsContact O-N 3.11Å
489E85.3Confident81.5Confident118 Ų11866.5 Ų66.555%0.55132%0.317SS*.Hα-helixtrans-63.5-28.8178.8-74.2-64.3113.100113.1Y485 L486Y485-E489 HydrophobicContact CD2-CG 4.36Å; Y485-E489 HydrophobicContact CE1-CG 4.07Å; Y485-E489 HydrophobicContact CE2-CG 3.85Å; Y485-E489 PolarHBondContact O-N 3.25Å; L486-E489 PolarHBondContact O-N 3.17Å
490Q83.1Confident79.9Confident154 Ų15468.8 Ų68.872%0.7234%0.336SS*.Hα-helixtrans-82-17.2177.1-69.2175.233.200113.4L486 H488L486-Q490 VanDerWaalsContact O-CG 3.31Å; L486-Q490 WeakPolarHBondContact O-CG 3.35Å; L486-Q490 PolarHBondContact O-N 3.12Å; H488-Q490 PolarHBondContact O-N 3.48Å
491R80.1Confident78.2Confident125 Ų12576.2 Ų76.247%0.47237%0.371SS..SBendtrans-78149.6179.6-76.6178.7-178.7-177.43.9111.1N487 H488 P493N487-R491 WeakPolarHBondContact O-CG 3.37Å; N487-R491 PolarHBondContact O-N 3.16Å; H488-R491 PolarHBondContact O-N 3.32Å; H488-R491 VanDerWaalsContact O-N 3.11Å; R491-P493 WeakPolarHBondContact O-CD 3.49Å
492D70.6Confident76.6Confident81 Ų8180 Ų8043%0.43339%0.394SS..  trans-63.6125.7175.4178.20.3000109.5F494 S495D492-F494 PolarHBondContact O-N 3.19Å; D492-F494 WeakPolarHBondContact OD1-CD2 3.06Å; D492-F494 PolarHBondContact OD1-N 3.31Å; D492-S495 PolarHBondContact O-N 3.36Å; D492-S495 PolarHBondContact O-OG 3.29Å
493P66.9Low74.8Confident96 Ų9685.9 Ų85.962%0.62343%0.425SS*.Hα-helixtrans-52-26.1176-28.435.1000114.1R491R491-P493 WeakPolarHBondContact O-CD 3.49Å
494F68.1Low72.9Confident139 Ų13984.4 Ų84.461%0.6144%0.436SS*.Hα-helixtrans-81.3-14.3176.4-64-76000114.6D492 R498D492-F494 PolarHBondContact O-N 3.19Å; D492-F494 WeakPolarHBondContact OD1-CD2 3.06Å; D492-F494 PolarHBondContact OD1-N 3.31Å; F494-R498 WeakPolarHBondContact O-CG 3.43Å; F494-R498 PolarHBondContact O-NE 2.98Å
495S69Low71Confident27 Ų2791.4 Ų91.419%0.18947%0.469CS..Hα-helixtrans-77-42.6173.966.80000111.1D492 I497 R498 E499D492-S495 PolarHBondContact O-N 3.36Å; D492-S495 PolarHBondContact O-OG 3.29Å; S495-I497 VanDerWaalsContact C-N 3.3Å; S495-I497 PolarHBondContact O-N 3.16Å; S495-R498 PolarHBondContact O-N 3.16Å; S495-E499 WeakPolarHBondContact O-CG 3.47Å; S495-E499 PolarHBondContact O-N 3.28Å
496V66Low69.7Low28 Ų2895.4 Ų95.417%0.1749%0.489CS..Hα-helixtrans-58.1-40.6178.6-179.50000112.1L471 I474 E499 A500L471-V496 HydrophobicContact CD2-CG1 4.09Å; I474-V496 HydrophobicContact CD1-CG1 3.6Å; V496-E499 PolarHBondContact O-N 3.23Å; V496-A500 WeakPolarHBondContact O-CB 3.3Å; V496-A500 PolarHBondContact O-N 3.21Å
497I65.8Low69.3Low96 Ų9697.4 Ų97.449%0.49250%0.503SS..Hα-helixtrans-67.8-38.6177.7-62171.1000111.3S495 A500 E501S495-I497 VanDerWaalsContact C-N 3.3Å; S495-I497 PolarHBondContact O-N 3.16Å; I497-A500 PolarHBondContact O-N 3.25Å; I497-E501 WeakPolarHBondContact O-CG 3.31Å; I497-E501 PolarHBondContact O-N 3.06Å
498R64.4Low69.4Low148 Ų14895.9 Ų95.956%0.55850%0.498SS*.Hα-helixtrans-70-38.1178.5-78.2-179.1-82.6-177.1-3.5111.8F494 S495 E501 T502F494-R498 WeakPolarHBondContact O-CG 3.43Å; F494-R498 PolarHBondContact O-NE 2.98Å; S495-R498 PolarHBondContact O-N 3.16Å; R498-E501 PolarHBondContact O-N 3.33Å; R498-T502 PolarHBondContact O-N 3.48Å; R498-T502 PolarHBondContact O-OG1 3.46Å
499E65.5Low69.7Low73 Ų7396.4 Ų96.434%0.34150%0.502SS..Hα-helixtrans-63-43.8174-72.1168.2-153.100110.8S495 V496 E501 T502S495-E499 WeakPolarHBondContact O-CG 3.47Å; S495-E499 PolarHBondContact O-N 3.28Å; V496-E499 PolarHBondContact O-N 3.23Å; E499-E501 PolarHBondContact O-N 3.19Å; E499-T502 PolarHBondContact O-N 3.37Å; E499-T502 VanDerWaalsContact O-N 3.13Å
500A63.5Low70.2Confident49 Ų4991.4 Ų91.441%0.40548%0.478SS..Hα-helixtrans-62.5-25.1176.100000114L471 V496 I497L471-A500 HydrophobicContact CD2-CB 4.48Å; V496-A500 WeakPolarHBondContact O-CB 3.3Å; V496-A500 PolarHBondContact O-N 3.21Å; I497-A500 PolarHBondContact O-N 3.25Å
501E61Low70.8Confident156 Ų15686 Ų8673%0.72945%0.453SS*.Hα-helixtrans-87.9-14.6177.7-71.5-179.7173.500113.6I497 R498 E499I497-E501 WeakPolarHBondContact O-CG 3.31Å; I497-E501 PolarHBondContact O-N 3.06Å; R498-E501 PolarHBondContact O-N 3.33Å; E499-E501 PolarHBondContact O-N 3.19Å
502T60.1Low71.5Confident80 Ų8083.5 Ų83.549%0.49145%0.445SS..  trans-104.218.5-171.3-43.80000113.4R498 E499 G504R498-T502 PolarHBondContact O-N 3.48Å; R498-T502 PolarHBondContact O-OG1 3.46Å; E499-T502 PolarHBondContact O-N 3.37Å; E499-T502 VanDerWaalsContact O-N 3.13Å; T502-G504 PolarHBondContact O-N 3.38Å
503D54.6Low72.7Confident132 Ų13281 Ų8171%0.70643%0.43SS*.THydrogen-bonded Turntrans-59.427.6-168.5-156.830.7000117.7
504G53.2Low74.2Confident66 Ų6676.4 Ų76.468%0.6840%0.4SS*.THydrogen-bonded Turntrans-130.2-5.2-17300000117T502T502-G504 PolarHBondContact O-N 3.38Å
505Q52.5Low75.5Confident186 Ų18671.9 Ų71.987%0.86939%0.389SS*.SBendtrans-140.51.2-171.8-136.3103.928.900115.5
506E66.8Low76.7Confident109 Ų10976.6 Ų76.651%0.50941%0.408SS..PPolyproline II helixtrans-93.3137.1-177.2-65.6-165.3-174.700111.8K512E506-K512 IonicContact OE2-NZ 3.97Å; E506-K512 PolarHBondContact OE2-NZ 3.3Å
507V82.8Confident78.2Confident80 Ų8077 Ų7749%0.48541%0.407SS..PPolyproline II helixtrans-53.5136.9165178.60000108.5E511 K512V507-E511 HydrophobicContact CG1-CB 3.3Å; V507-E511 HydrophobicContact CG1-CG 4.31Å; V507-E511 WeakPolarHBondContact CG1-OE2 3.41Å; V507-K512 HydrophobicContact CB-CG 4.24Å; V507-K512 HydrophobicContact CG1-CG 3.97Å; V507-K512 WeakPolarHBondContact O-CE 3.06Å; V507-K512 PolarHBondContact O-NZ 3.4Å
508S90.9Very high79.6Confident39 Ų3974.8 Ų74.827%0.27339%0.393SS..PPolyproline II helixtrans-61.5157-177.760.60000111.8W510 E511 K512S508-W510 PolarHBondContact O-N 3.26Å; S508-E511 PolarHBondContact N-OE2 3.02Å; S508-E511 PolarHBondContact O-N 2.98Å; S508-E511 VanDerWaalsContact O-N 3.15Å; S508-E511 VanDerWaalsContact OG-CB 3.3Å; S508-E511 WeakPolarHBondContact OG-CB 3.48Å; S508-E511 WeakPolarHBondContact OG-CG 3.24Å; S508-E511 PolarHBondContact OG-N 3.32Å; S508-E511 PolarHBondContact OG-OE2 3.49Å; S508-K512 WeakPolarHBondContact O-CG 3.39Å; S508-K512 PolarHBondContact O-N 3.17Å
509D93.3Very high81.1Confident43 Ų4373 Ų7323%0.2340%0.395CS..Hα-helixtrans-62.5-36.1179.1-68.1-8.5000110.3D394 K396 K512 Y513D394-D509 HydrophobicContact CB-CB 4.2Å; K396-D509 VanDerWaalsContact CD-OD2 3.3Å; K396-D509 WeakPolarHBondContact CD-OD2 3.26Å; K396-D509 WeakPolarHBondContact CE-OD2 3.36Å; K396-D509 VanDerWaalsContact NZ-CG 3.27Å; K396-D509 IonicContact NZ-OD1 2.72Å; K396-D509 PolarHBondContact NZ-OD1 2.66Å; K396-D509 IonicContact NZ-OD2 3.24Å; K396-D509 PolarHBondContact NZ-OD2 2.86Å; D509-K512 PolarHBondContact O-N 3.34Å; D509-Y513 WeakPolarHBondContact O-CB 3.19Å; D509-Y513 PolarHBondContact O-N 3.3Å
510W96.4Very high82.4Confident13 Ų1373 Ų735%0.04940%0.397CS..Hα-helixtrans-60.4-46.9172.1169.1-96.5000112.7H323 I327 I389 I390 E393 D394 S508 Y513 A514H323-W510 HydrophobicContact CB-CZ2 4.19Å; H323-W510 AromaticContact CE1-CD1 3.87Å; H323-W510 AromaticContact CE1-NE1 3.48Å; H323-W510 PolarHBondContact CE1-NE1 3.38Å; H323-W510 AromaticContact CG-NE1 3.66Å; H323-W510 AromaticContact ND1-CD1 3.82Å; H323-W510 AromaticContact ND1-NE1 3.03Å; H323-W510 PolarHBondContact ND1-NE1 2.97Å; I327-W510 HydrophobicContact CD1-CH2 3.78Å; I327-W510 HydrophobicContact CD1-CZ2 3.67Å; I327-W510 HydrophobicContact CG1-CH2 3.41Å; I327-W510 VanDerWaalsContact CG1-CH2 3.41Å; I327-W510 HydrophobicContact CG1-CZ2 3.78Å; I389-W510 HydrophobicContact CG1-CZ3 4.28Å; I389-W510 HydrophobicContact CG2-CZ3 4.49Å; I390-W510 HydrophobicContact CB-CE3 4.49Å; I390-W510 HydrophobicContact CG1-CD2 4.37Å; I390-W510 HydrophobicContact CG1-CE3 4.21Å; I390-W510 HydrophobicContact CG1-CH2 4.28Å; I390-W510 HydrophobicContact CG1-CZ2 4.42Å; I390-W510 HydrophobicContact CG1-CZ3 4.17Å; E393-W510 HydrophobicContact CB-CE3 3.99Å; E393-W510 HydrophobicContact CB-CZ3 4.35Å; E393-W510 HydrophobicContact CG-CE3 4.5Å; E393-W510 HydrophobicContact CG-CZ3 4.37Å; D394-W510 HydrophobicContact CB-CB 3.95Å; S508-W510 PolarHBondContact O-N 3.26Å; W510-Y513 HydrophobicContact CE3-CD1 4.29Å; W510-Y513 AromaticContact CZ3-CD1 3.98Å; W510-Y513 HydrophobicContact CZ3-CD1 3.98Å; W510-Y513 HydrophobicContact CZ3-CE1 4.18Å; W510-Y513 PolarHBondContact O-N 3.03Å; W510-A514 HydrophobicContact CZ2-CB 4.09Å; W510-A514 VanDerWaalsContact O-CB 3.28Å; W510-A514 WeakPolarHBondContact O-CB 3.26Å; W510-A514 PolarHBondContact O-N 2.85Å
511E95.5Very high83.8Confident41 Ų4171.3 Ų71.319%0.19238%0.381CS..Hα-helixtrans-66-38.5-179.9-78.8163.7158.800111.9T316 V507 S508 A515T316-E511 VanDerWaalsContact CB-OE1 3.23Å; T316-E511 WeakPolarHBondContact CB-OE1 3.33Å; T316-E511 PolarHBondContact OG1-OE1 3.35Å; V507-E511 HydrophobicContact CG1-CB 3.3Å; V507-E511 HydrophobicContact CG1-CG 4.31Å; V507-E511 WeakPolarHBondContact CG1-OE2 3.41Å; S508-E511 PolarHBondContact N-OE2 3.02Å; S508-E511 PolarHBondContact O-N 2.98Å; S508-E511 VanDerWaalsContact O-N 3.15Å; S508-E511 VanDerWaalsContact OG-CB 3.3Å; S508-E511 WeakPolarHBondContact OG-CB 3.48Å; S508-E511 WeakPolarHBondContact OG-CG 3.24Å; S508-E511 PolarHBondContact OG-N 3.32Å; S508-E511 PolarHBondContact OG-OE2 3.49Å; E511-A515 WeakPolarHBondContact O-CB 3.47Å; E511-A515 PolarHBondContact O-N 3.3Å
512K95.2Very high85.2Confident71 Ų7166.9 Ų66.931%0.30936%0.364SS..Hα-helixtrans-61.9-51.7174-70168.5-177.7157.40110.6E506 V507 S508 D509 A514 A515 E516E506-K512 IonicContact OE2-NZ 3.97Å; E506-K512 PolarHBondContact OE2-NZ 3.3Å; V507-K512 HydrophobicContact CB-CG 4.24Å; V507-K512 HydrophobicContact CG1-CG 3.97Å; V507-K512 WeakPolarHBondContact O-CE 3.06Å; V507-K512 PolarHBondContact O-NZ 3.4Å; S508-K512 WeakPolarHBondContact O-CG 3.39Å; S508-K512 PolarHBondContact O-N 3.17Å; D509-K512 PolarHBondContact O-N 3.34Å; K512-A514 PolarHBondContact O-N 2.94Å; K512-A515 PolarHBondContact O-N 2.91Å; K512-E516 WeakPolarHBondContact O-CG 3.38Å; K512-E516 PolarHBondContact O-N 3.36Å
513Y96.3Very high86.6Confident28 Ų2865.4 Ų65.411%0.1136%0.36CS..Hα-helixtrans-57.8-48.7177.9172.1-98.9000112V326 K330 E393 D509 W510 A515 E516 E517V326-Y513 HydrophobicContact CG1-CE1 4.04Å; K330-Y513 WeakPolarHBondContact CE-OH 3.47Å; E393-Y513 HydrophobicContact CB-CD1 4.09Å; E393-Y513 HydrophobicContact CB-CG 4.22Å; E393-Y513 HydrophobicContact CG-CD1 3.68Å; E393-Y513 HydrophobicContact CG-CD2 4.29Å; E393-Y513 HydrophobicContact CG-CE1 3.62Å; E393-Y513 HydrophobicContact CG-CE2 4.25Å; E393-Y513 HydrophobicContact CG-CG 4.01Å; E393-Y513 WeakPolarHBondContact OE1-CE2 3.22Å; E393-Y513 VanDerWaalsContact OE1-CZ 3.27Å; E393-Y513 PolarHBondContact OE1-OH 3.16Å; D509-Y513 WeakPolarHBondContact O-CB 3.19Å; D509-Y513 PolarHBondContact O-N 3.3Å; W510-Y513 HydrophobicContact CE3-CD1 4.29Å; W510-Y513 AromaticContact CZ3-CD1 3.98Å; W510-Y513 HydrophobicContact CZ3-CD1 3.98Å; W510-Y513 HydrophobicContact CZ3-CE1 4.18Å; W510-Y513 PolarHBondContact O-N 3.03Å; Y513-A515 VanDerWaalsContact C-N 3.33Å; Y513-A515 PolarHBondContact O-N 3.43Å; Y513-E516 PolarHBondContact O-N 2.81Å; Y513-E517 HydrophobicContact CD1-CG 4.39Å; Y513-E517 HydrophobicContact CD2-CG 3.9Å; Y513-E517 HydrophobicContact CE1-CG 4.01Å; Y513-E517 HydrophobicContact CE2-CG 3.46Å; Y513-E517 VanDerWaalsContact CE2-CG 3.46Å; Y513-E517 HydrophobicContact CG-CG 4.35Å; Y513-E517 WeakPolarHBondContact O-CB 3.37Å; Y513-E517 WeakPolarHBondContact O-CG 3.4Å; Y513-E517 PolarHBondContact O-N 3.48Å
514A97.1Very high88.3Confident0 Ų063.7 Ų63.70%035%0.347CS..Hα-helixtrans-64-37.4-178.900000112.4V326 W510 K512 Y518V326-A514 WeakPolarHBondContact CG2-O 3.44Å; W510-A514 HydrophobicContact CZ2-CB 4.09Å; W510-A514 VanDerWaalsContact O-CB 3.28Å; W510-A514 WeakPolarHBondContact O-CB 3.26Å; W510-A514 PolarHBondContact O-N 2.85Å; K512-A514 PolarHBondContact O-N 2.94Å; A514-Y518 WeakPolarHBondContact O-CB 3.47Å; A514-Y518 PolarHBondContact O-N 3.23Å
515A95.2Very high89.5Confident45 Ų4561.2 Ų61.237%0.37232%0.318SS..Hα-helixtrans-66.6-47.1175.300000111.8E511 K512 Y513 Y518 D519E511-A515 WeakPolarHBondContact O-CB 3.47Å; E511-A515 PolarHBondContact O-N 3.3Å; K512-A515 PolarHBondContact O-N 2.91Å; Y513-A515 VanDerWaalsContact C-N 3.33Å; Y513-A515 PolarHBondContact O-N 3.43Å; A515-Y518 PolarHBondContact O-N 3.43Å; A515-D519 PolarHBondContact O-N 3.4Å
516E95.8Very high90.9Very high126 Ų12654.3 Ų54.359%0.58929%0.293SS*.Hα-helixtrans-62.4-47.7179.8-71.6174.1-171.500111.9K512 Y513 Y518 D519 I520K512-E516 WeakPolarHBondContact O-CG 3.38Å; K512-E516 PolarHBondContact O-N 3.36Å; Y513-E516 PolarHBondContact O-N 2.81Å; E516-Y518 PolarHBondContact O-N 3.14Å; E516-D519 PolarHBondContact O-N 2.96Å; E516-I520 VanDerWaalsContact O-CG1 3.31Å; E516-I520 WeakPolarHBondContact O-CG1 3.31Å; E516-I520 PolarHBondContact O-N 3.28Å
517E96.1Very high91.4Very high35 Ų3555.6 Ų55.616%0.16430%0.299CS..Hα-helixtrans-66.7-36.6178.6-72.2-62129.400112.5V326 K330 Y513 I520 L521V326-E517 HydrophobicContact CG1-CB 3.76Å; V326-E517 HydrophobicContact CG1-CG 4.38Å; V326-E517 HydrophobicContact CG2-CB 4.05Å; K330-E517 WeakPolarHBondContact CE-OE2 3.38Å; K330-E517 IonicContact NZ-OE2 2.65Å; K330-E517 PolarHBondContact NZ-OE2 2.94Å; Y513-E517 HydrophobicContact CD1-CG 4.39Å; Y513-E517 HydrophobicContact CD2-CG 3.9Å; Y513-E517 HydrophobicContact CE1-CG 4.01Å; Y513-E517 HydrophobicContact CE2-CG 3.46Å; Y513-E517 VanDerWaalsContact CE2-CG 3.46Å; Y513-E517 HydrophobicContact CG-CG 4.35Å; Y513-E517 WeakPolarHBondContact O-CB 3.37Å; Y513-E517 WeakPolarHBondContact O-CG 3.4Å; Y513-E517 PolarHBondContact O-N 3.48Å; E517-I520 PolarHBondContact O-N 3.46Å; E517-L521 WeakPolarHBondContact O-CB 3.3Å; E517-L521 VanDerWaalsContact O-CG 3.23Å; E517-L521 WeakPolarHBondContact O-CG 3.34Å; E517-L521 PolarHBondContact O-N 3.17Å
518Y96.1Very high90.7Very high50 Ų5054.8 Ų54.820%0.19629%0.292CS..Hα-helixtrans-63.7-44.4175.5-174.6-96.8000111.2E322 Y325 V326 A514 A515 E516 I520 L521 V522E322-Y518 HydrophobicContact CB-CD1 4.46Å; E322-Y518 HydrophobicContact CB-CD2 3.97Å; E322-Y518 HydrophobicContact CB-CE2 4.23Å; E322-Y518 HydrophobicContact CB-CG 4.09Å; E322-Y518 HydrophobicContact CG-CD1 3.83Å; E322-Y518 HydrophobicContact CG-CD2 3.88Å; E322-Y518 HydrophobicContact CG-CE1 3.67Å; E322-Y518 HydrophobicContact CG-CE2 3.75Å; E322-Y518 HydrophobicContact CG-CG 3.92Å; Y325-Y518 AromaticContact CD1-CD2 3.81Å; Y325-Y518 HydrophobicContact CD1-CD2 3.81Å; Y325-Y518 AromaticContact CD1-CE2 3.66Å; Y325-Y518 HydrophobicContact CD1-CE2 3.66Å; Y325-Y518 HydrophobicContact CE1-CE2 4.42Å; Y325-Y518 HydrophobicContact CG-CD2 4.48Å; Y325-Y518 HydrophobicContact CG-CE2 4.18Å; V326-Y518 HydrophobicContact CG2-CD2 4.4Å; A514-Y518 WeakPolarHBondContact O-CB 3.47Å; A514-Y518 PolarHBondContact O-N 3.23Å; A515-Y518 PolarHBondContact O-N 3.43Å; E516-Y518 PolarHBondContact O-N 3.14Å; Y518-I520 VanDerWaalsContact C-N 3.3Å; Y518-I520 PolarHBondContact O-N 2.9Å; Y518-L521 PolarHBondContact O-N 3.1Å; Y518-V522 HydrophobicContact CD1-CG2 4.01Å; Y518-V522 HydrophobicContact CE1-CG2 3.59Å; Y518-V522 HydrophobicContact CE2-CG2 4.33Å; Y518-V522 VanDerWaalsContact O-CG2 3.31Å; Y518-V522 WeakPolarHBondContact O-CG2 3.35Å; Y518-V522 PolarHBondContact O-N 2.93Å
519D94.7Very high89.3Confident111 Ų11155.5 Ų55.559%0.59429%0.293SS*.Hα-helixtrans-60.4-40.1176.2-79-14.7000111.8A515 E516 A523A515-D519 PolarHBondContact O-N 3.4Å; E516-D519 PolarHBondContact O-N 2.96Å; D519-A523 WeakPolarHBondContact O-CB 3.4Å; D519-A523 PolarHBondContact O-N 3.04Å
520I94.4Very high87.5Confident74 Ų7459.5 Ų59.538%0.37931%0.31SS..Hα-helixtrans-62.5-51.2175.1-68164.6000110.5E516 E517 Y518 V522 A523 E524E516-I520 VanDerWaalsContact O-CG1 3.31Å; E516-I520 WeakPolarHBondContact O-CG1 3.31Å; E516-I520 PolarHBondContact O-N 3.28Å; E517-I520 PolarHBondContact O-N 3.46Å; Y518-I520 VanDerWaalsContact C-N 3.3Å; Y518-I520 PolarHBondContact O-N 2.9Å; I520-V522 VanDerWaalsContact C-N 3.3Å; I520-V522 PolarHBondContact O-N 3.14Å; I520-A523 WeakPolarHBondContact O-CB 3.41Å; I520-A523 PolarHBondContact O-N 3.19Å; I520-A523 VanDerWaalsContact O-N 3.08Å; I520-E524 HydrophobicContact CG2-CG 4.29Å; I520-E524 WeakPolarHBondContact O-CG 3.48Å; I520-E524 PolarHBondContact O-N 3.49Å
521L92.6Very high85.1Confident13 Ų1361.3 Ų61.37%0.06832%0.324CS..Hα-helixtrans-58.8-41.7-179.5-71.5167.1000111.9Y325 V326 C329 E517 Y518 E525Y325-L521 HydrophobicContact CD1-CD1 4.26Å; Y325-L521 HydrophobicContact CE1-CB 4.38Å; Y325-L521 HydrophobicContact CE1-CD1 4.28Å; V326-L521 HydrophobicContact CG2-CD1 4.28Å; C329-L521 HydrophobicContact CB-CD1 3.87Å; C329-L521 HydrophobicContact CB-CD2 4.22Å; E517-L521 WeakPolarHBondContact O-CB 3.3Å; E517-L521 VanDerWaalsContact O-CG 3.23Å; E517-L521 WeakPolarHBondContact O-CG 3.34Å; E517-L521 PolarHBondContact O-N 3.17Å; Y518-L521 PolarHBondContact O-N 3.1Å; L521-E525 WeakPolarHBondContact O-CB 3.43Å; L521-E525 PolarHBondContact O-N 3.36Å; L521-E525 VanDerWaalsContact O-N 3.11Å
522V90.2Very high82.6Confident63 Ų6361.1 Ų61.138%0.38233%0.325SS..Hα-helixtrans-66.2-40176.2171.70000111.4Y518 I520 E525 A526Y518-V522 HydrophobicContact CD1-CG2 4.01Å; Y518-V522 HydrophobicContact CE1-CG2 3.59Å; Y518-V522 HydrophobicContact CE2-CG2 4.33Å; Y518-V522 VanDerWaalsContact O-CG2 3.31Å; Y518-V522 WeakPolarHBondContact O-CG2 3.35Å; Y518-V522 PolarHBondContact O-N 2.93Å; I520-V522 VanDerWaalsContact C-N 3.3Å; I520-V522 PolarHBondContact O-N 3.14Å; V522-E525 PolarHBondContact O-N 2.91Å; V522-A526 PolarHBondContact O-N 3.48Å
523A89.7Confident80.1Confident48 Ų4863.2 Ų63.240%0.39734%0.339SS..Hα-helixtrans-66.2-45.8177.600000112D519 I520 E525 A526 E527D519-A523 WeakPolarHBondContact O-CB 3.4Å; D519-A523 PolarHBondContact O-N 3.04Å; I520-A523 WeakPolarHBondContact O-CB 3.41Å; I520-A523 PolarHBondContact O-N 3.19Å; I520-A523 VanDerWaalsContact O-N 3.08Å; A523-E525 VanDerWaalsContact C-N 3.26Å; A523-E525 PolarHBondContact O-N 3.43Å; A523-A526 WeakPolarHBondContact O-CB 3.26Å; A523-A526 PolarHBondContact O-N 2.98Å; A523-A526 VanDerWaalsContact O-N 3.13Å; A523-E527 WeakPolarHBondContact O-CG 3.47Å; A523-E527 PolarHBondContact O-N 3.38Å
524E88.6Confident77.6Confident96 Ų9667.1 Ų67.145%0.44937%0.366SS..Hα-helixtrans-59.9-38.2176.9-72.6-177178.400111.9I520 E527 N528I520-E524 HydrophobicContact CG2-CG 4.29Å; I520-E524 WeakPolarHBondContact O-CG 3.48Å; I520-E524 PolarHBondContact O-N 3.49Å; E524-E527 PolarHBondContact O-N 3.37Å; E524-N528 WeakPolarHBondContact O-CB 3.44Å; E524-N528 PolarHBondContact O-N 3.13Å; E524-N528 PolarHBondContact O-ND2 3.46Å
525E79.4Confident75Confident14 Ų1474.9 Ų74.97%0.06540%0.396CS..Hα-helixtrans-68-40.1175.3-175.2158.4-134.900112.5L521 V522 A523 N528 N529 F557 F558L521-E525 WeakPolarHBondContact O-CB 3.43Å; L521-E525 PolarHBondContact O-N 3.36Å; L521-E525 VanDerWaalsContact O-N 3.11Å; V522-E525 PolarHBondContact O-N 2.91Å; A523-E525 VanDerWaalsContact C-N 3.26Å; A523-E525 PolarHBondContact O-N 3.43Å; E525-N528 PolarHBondContact O-N 3.29Å; E525-N529 WeakPolarHBondContact O-CB 3.38Å; E525-N529 VanDerWaalsContact O-CG 3.28Å; E525-N529 PolarHBondContact O-N 2.87Å; E525-N529 PolarHBondContact O-ND2 3.44Å; E525-F557 HydrophobicContact CG-CB 4.27Å; E525-F557 WeakPolarHBondContact OE1-CB 3.48Å; E525-F558 HydrophobicContact CG-CD2 3.83Å; E525-F558 HydrophobicContact CG-CE2 3.67Å; E525-F558 WeakPolarHBondContact OE1-CD2 3.42Å; E525-F558 WeakPolarHBondContact OE1-CE2 3.45Å; E525-F558 VanDerWaalsContact OE1-CG 3.23Å; E525-F558 WeakPolarHBondContact OE1-CG 3.21Å; E525-F558 PolarHBondContact OE1-N 2.71Å; E525-F558 WeakPolarHBondContact OE2-CE2 3.25Å; E525-F558 WeakPolarHBondContact OE2-CZ 3.25Å
526A81.2Confident72.4Confident42 Ų4279.4 Ų79.435%0.34741%0.414SS..Hα-helixtrans-64.8-39.1175.100000112.2V522 A523 N529 Q530V522-A526 PolarHBondContact O-N 3.48Å; A523-A526 WeakPolarHBondContact O-CB 3.26Å; A523-A526 PolarHBondContact O-N 2.98Å; A523-A526 VanDerWaalsContact O-N 3.13Å; A526-N529 PolarHBondContact O-N 3.09Å; A526-Q530 WeakPolarHBondContact O-CG 3.46Å; A526-Q530 PolarHBondContact O-N 3.26Å
527E77.5Confident69.3Low135 Ų13579.7 Ų79.763%0.63142%0.42SS*.Hα-helixtrans-67.8-42.3175.4-72.4-171.8178.400112.2A523 E524 N529 Q530 C531A523-E527 WeakPolarHBondContact O-CG 3.47Å; A523-E527 PolarHBondContact O-N 3.38Å; E524-E527 PolarHBondContact O-N 3.37Å; E527-N529 VanDerWaalsContact C-N 3.28Å; E527-N529 PolarHBondContact O-N 3.37Å; E527-Q530 PolarHBondContact O-N 3.06Å; E527-C531 VanDerWaalsContact O-CB 3.31Å; E527-C531 WeakPolarHBondContact O-CB 3.43Å; E527-C531 PolarHBondContact O-N 3.39Å
528N68.9Low66.6Low63 Ų6383.6 Ų83.634%0.33745%0.448SS..Hα-helixtrans-60.3-39.4175-83.3-31.6000111.7E524 E525 N532E524-N528 WeakPolarHBondContact O-CB 3.44Å; E524-N528 PolarHBondContact O-N 3.13Å; E524-N528 PolarHBondContact O-ND2 3.46Å; E525-N528 PolarHBondContact O-N 3.29Å; N528-N532 VanDerWaalsContact O-CG 3.24Å; N528-N532 PolarHBondContact O-N 3.07Å; N528-N532 PolarHBondContact O-ND2 3.05Å; N528-N532 VanDerWaalsContact O-ND2 3.12Å
529N61.3Low63.7Low55 Ų5588.7 Ų88.729%0.29448%0.478SS..Hα-helixtrans-71-41.7176.3-70.1-39.6000112.6E525 A526 E527 N532 D533E525-N529 WeakPolarHBondContact O-CB 3.38Å; E525-N529 VanDerWaalsContact O-CG 3.28Å; E525-N529 PolarHBondContact O-N 2.87Å; E525-N529 PolarHBondContact O-ND2 3.44Å; A526-N529 PolarHBondContact O-N 3.09Å; E527-N529 VanDerWaalsContact C-N 3.28Å; E527-N529 PolarHBondContact O-N 3.37Å; N529-N532 PolarHBondContact O-N 2.92Å; N529-D533 PolarHBondContact O-N 3.47Å; N529-D533 VanDerWaalsContact O-N 3.16Å
530Q55.7Low60.6Low127 Ų12789.1 Ų89.159%0.59349%0.489SS*.Hα-helixtrans-66.4-36.9175.7-76.7174.635.700112.8A526 E527 N532 D533 V534A526-Q530 WeakPolarHBondContact O-CG 3.46Å; A526-Q530 PolarHBondContact O-N 3.26Å; E527-Q530 PolarHBondContact O-N 3.06Å; Q530-N532 PolarHBondContact O-N 2.98Å; Q530-D533 PolarHBondContact O-N 3.29Å; Q530-V534 WeakPolarHBondContact O-CG2 3.34Å; Q530-V534 PolarHBondContact O-N 3.41Å; Q530-V534 VanDerWaalsContact O-N 3.16Å
531C45.8Very low58Low50 Ų5091.6 Ų91.634%0.33851%0.51SS..Hα-helixtrans-60.6-36.5174.2-169.10000110.7E527 Y535E527-C531 VanDerWaalsContact O-CB 3.31Å; E527-C531 WeakPolarHBondContact O-CB 3.43Å; E527-C531 PolarHBondContact O-N 3.39Å; C531-Y535 WeakPolarHBondContact O-CD2 3.25Å
532N42.8Very low55.4Low38 Ų3899.6 Ų99.620%0.20355%0.552CS.*Hα-helixtrans-72.7-34.8178.6-66.7-23000112.6N528 N529 Q530 V534 Y535 K554 H556N528-N532 VanDerWaalsContact O-CG 3.24Å; N528-N532 PolarHBondContact O-N 3.07Å; N528-N532 PolarHBondContact O-ND2 3.05Å; N528-N532 VanDerWaalsContact O-ND2 3.12Å; N529-N532 PolarHBondContact O-N 2.92Å; Q530-N532 PolarHBondContact O-N 2.98Å; N532-V534 PolarHBondContact O-N 3.31Å; N532-Y535 PolarHBondContact O-N 2.91Å; N532-K554 PolarHBondContact OD1-NZ 2.94Å; N532-H556 PolarHBondContact ND2-CE1 3.32Å; N532-H556 PolarHBondContact ND2-NE2 2.86Å
533D43Very low52.7Low115 Ų115100.3 Ų100.362%0.61557%0.572SS**Hα-helixtrans-69-27.9173.7-84.9-24.1000113.9N529 Q530 Y535 D536N529-D533 PolarHBondContact O-N 3.47Å; N529-D533 VanDerWaalsContact O-N 3.16Å; Q530-D533 PolarHBondContact O-N 3.29Å; D533-Y535 VanDerWaalsContact C-N 3.32Å; D533-D536 PolarHBondContact O-N 3.05Å
534V42.9Very low50.1Low110 Ų110106.9 Ų106.967%0.66760%0.595SS**Hα-helixtrans-72.5-25.6177.61740000112Q530 N532 D536Q530-V534 WeakPolarHBondContact O-CG2 3.34Å; Q530-V534 PolarHBondContact O-N 3.41Å; Q530-V534 VanDerWaalsContact O-N 3.16Å; N532-V534 PolarHBondContact O-N 3.31Å; V534-D536 VanDerWaalsContact C-N 3.34Å
535Y44.2Very low47.4Very low162 Ų162110.9 Ų110.964%0.63561%0.613SS**Hα-helixtrans-79.3-15.2174.9-74.4-74.2000113.7C531 N532 D533 K554C531-Y535 WeakPolarHBondContact O-CD2 3.25Å; N532-Y535 PolarHBondContact O-N 2.91Å; D533-Y535 VanDerWaalsContact C-N 3.32Å; Y535-K554 VanDerWaalsContact CE2-NZ 3.33Å
536D39.5Very low45.2Very low141 Ų141118 Ų11875%0.75465%0.65SS**THydrogen-bonded Turntrans-98.66179.8-85-26.3000114.5D533 V534 P538D533-D536 PolarHBondContact O-N 3.05Å; V534-D536 VanDerWaalsContact C-N 3.34Å; D536-P538 WeakPolarHBondContact O-CD 3.46Å
537N30.5Very low42.7Very low132 Ų132121 Ų12171%0.70667%0.668SS**  trans-102.1106.6175.3-111.6-30.7000111.9L539N537-L539 VanDerWaalsContact C-N 3.3Å; N537-L539 PolarHBondContact O-N 3.28Å
538P39.4Very low40.4Very low116 Ų116120.6 Ų120.675%0.75368%0.68SS**  trans-86.256.5-173.336.1-36.1000112.1D536D536-P538 WeakPolarHBondContact O-CD 3.46Å
539L35.3Very low38.5Very low158 Ų158126.6 Ų126.683%0.82771%0.706SS**  trans-151.781.3172.9-72.1177.9000113.7N537N537-L539 VanDerWaalsContact C-N 3.3Å; N537-L539 PolarHBondContact O-N 3.28Å
540S29.2Very low36.8Very low119 Ų119130.9 Ų130.983%0.83273%0.728SS**  trans-172.2127136.4-87.80000111.9L542S540-L542 PolarHBondContact O-N 3.28Å
541P40.6Very low35.6Very low127 Ų127129 Ų12983%0.82574%0.742SS**  trans-98.976.1-173.437.1-30.6000111.7
542L38.5Very low34.8Very low181 Ų181133.3 Ų133.395%0.94876%0.761SS**  trans-173.9101.9153.4-136.464.6000110.1S540S540-L542 PolarHBondContact O-N 3.28Å
543G33.2Very low34.1Very low77 Ų77137.5 Ų137.579%0.79479%0.789SS**  trans167.415.5178.100000115.1H545G543-H545 PolarHBondContact O-N 2.77Å
544Q34.2Very low33.6Very low187 Ų187137.4 Ų137.487%0.87478%0.783SS**  trans-85.492.7164.7-86.1172.3-19.700107.6
545H32.8Very low33.3Very low179 Ų179140.9 Ų140.983%0.82978%0.784SS**SBendtrans173.1136.7146.6-90.1-63.2000105.4G543G543-H545 PolarHBondContact O-N 2.77Å
546I33.2Very low32.6Very low165 Ų165137.5 Ų137.585%0.84677%0.774SS**SBendtrans94.871-174-43.5154.9000113
547S29.2Very low32.6Very low104 Ų104135.5 Ų135.573%0.72776%0.758SS**  trans-165.938.7148.3-80.60000111.2
548S27.6Very low32.8Very low127 Ų127136.1 Ų136.189%0.88876%0.755SS**SBendtrans-104.212.6176.4-47.10000113
549E28.9Very low32.4Very low189 Ų189137.9 Ų137.988%0.88375%0.753SS**SBendtrans-127.89.7-174.1-92.6-173.6165.700116
550L27.2Very low32.3Very low145 Ų145136.6 Ų136.676%0.75975%0.746SS**  trans-124.9105.2168.6-83.3149.6000108.4L552L550-L552 HydrophobicContact CB-CD1 4.39Å; L550-L552 PolarHBondContact O-N 3.44Å
551G29.4Very low32.3Very low86 Ų86135.9 Ų135.989%0.88774%0.738SS**  trans-7256.1173.700000112.2T553G551-T553 PolarHBondContact O-N 2.97Å
552L29.7Very low31.7Very low141 Ų141135.7 Ų135.774%0.73874%0.735SS**  trans-86.899.8168.6-78.6158.7000107.5L550 K554L550-L552 HydrophobicContact CB-CD1 4.39Å; L550-L552 PolarHBondContact O-N 3.44Å; L552-K554 PolarHBondContact O-N 3.43Å
553T28.1Very low31.4Very low126 Ų126132.4 Ų132.477%0.77373%0.725SS**  trans-63.1102.5165.542.40000108.5G551 R555G551-T553 PolarHBondContact O-N 2.97Å; T553-R555 PolarHBondContact O-N 3.37Å
554K32.5Very low31.2Very low114 Ų114137.5 Ų137.550%0.49673%0.727SS.*  trans-53.1122.8167.3-77.3-176166.3-161.80109.7N532 Y535 L552N532-K554 PolarHBondContact OD1-NZ 2.94Å; Y535-K554 VanDerWaalsContact CE2-NZ 3.33Å; L552-K554 PolarHBondContact O-N 3.43Å
555R36.3Very low30.9Very low182 Ų182133.9 Ų133.969%0.68772%0.722SS**  trans-126.8130.8165.8-80.7-174.2177.4166.6-0.5109.1T553T553-R555 PolarHBondContact O-N 3.37Å
556H29.1Very low30.9Very low91 Ų91133.3 Ų133.342%0.42173%0.725SS.*  trans-68.2124.1172.1-88.9-89.2000109.3N532 F558N532-H556 PolarHBondContact ND2-CE1 3.32Å; N532-H556 PolarHBondContact ND2-NE2 2.86Å; H556-F558 VanDerWaalsContact C-N 3.3Å; H556-F558 PolarHBondContact O-N 3.47Å
557F38.8Very low30.8Very low99 Ų99133 Ų13343%0.43472%0.724SS.*THydrogen-bonded Turntrans-73.3-18179-91.3-96.2000113.5E525E525-F557 HydrophobicContact CG-CB 4.27Å; E525-F557 WeakPolarHBondContact OE1-CB 3.48Å
558F35.1Very low30.8Very low146 Ų146136.3 Ų136.364%0.6473%0.733SS**THydrogen-bonded Turntrans-97.31.2180-89.4-56.4000116.8E525 H556 I560E525-F558 HydrophobicContact CG-CD2 3.83Å; E525-F558 HydrophobicContact CG-CE2 3.67Å; E525-F558 WeakPolarHBondContact OE1-CD2 3.42Å; E525-F558 WeakPolarHBondContact OE1-CE2 3.45Å; E525-F558 VanDerWaalsContact OE1-CG 3.23Å; E525-F558 WeakPolarHBondContact OE1-CG 3.21Å; E525-F558 PolarHBondContact OE1-N 2.71Å; E525-F558 WeakPolarHBondContact OE2-CE2 3.25Å; E525-F558 WeakPolarHBondContact OE2-CZ 3.25Å; H556-F558 VanDerWaalsContact C-N 3.3Å; H556-F558 PolarHBondContact O-N 3.47Å; F558-I560 PolarHBondContact O-N 3.5Å
559E31Very low30.9Very low153 Ų153138.5 Ų138.572%0.71573%0.732SS**  trans-90.6109.7174.7-85.3-169.9157.800111.5P561E559-P561 VanDerWaalsContact O-CD 3.3Å; E559-P561 WeakPolarHBondContact O-CD 3.36Å; E559-P561 VanDerWaalsContact O-N 3.17Å
560I33Very low31Very low130 Ų130137 Ų13767%0.66773%0.73SS**PPolyproline II helixtrans-49.4116.2166.7-59.8167.5000108.2F558 T562F558-I560 PolarHBondContact O-N 3.5Å; I560-T562 PolarHBondContact O-N 3.46Å
561P29.6Very low31.2Very low104 Ų104138.7 Ų138.768%0.67573%0.734SS**PPolyproline II helixtrans-67.1119.9175.4-1528.8000108.7E559 P563E559-P561 VanDerWaalsContact O-CD 3.3Å; E559-P561 WeakPolarHBondContact O-CD 3.36Å; E559-P561 VanDerWaalsContact O-N 3.17Å; P561-P563 WeakPolarHBondContact O-CD 3.17Å
562T28.5Very low31.2Very low123 Ų123145.8 Ų145.876%0.75574%0.735SS**PPolyproline II helixtrans-72119.5165.226.40000108.9I560 H564I560-T562 PolarHBondContact O-N 3.46Å; T562-H564 PolarHBondContact O-N 2.98Å
563P32.1Very low31Very low112 Ų112147.7 Ų147.773%0.72774%0.74SS**  trans-82108.1175.318.4-7.4000109.5P561 C565P561-P563 WeakPolarHBondContact O-CD 3.17Å; P563-C565 PolarHBondContact O-N 2.92Å
564H29.6Very low31.2Very low184 Ų184152.6 Ų152.685%0.85275%0.746SS**  trans-79.790.7154.1-80.5-61.9000108.7T562T562-H564 PolarHBondContact O-N 2.98Å
565C28Very low31Very low112 Ų112155.7 Ų155.776%0.75776%0.763SS**  trans-154110.5155.4-97.70000109.6P563 L567P563-C565 PolarHBondContact O-N 2.92Å; C565-L567 PolarHBondContact O-N 2.68Å
566N32.8Very low31.1Very low167 Ų167153.8 Ų153.889%0.89377%0.766SS**  trans-61.8119.3161.8-79.9-31.4000108.3
567L30.4Very low31.1Very low159 Ų159156.9 Ų156.983%0.83279%0.786SS**  trans-130.6117.6156.7-74.8173.4000107.7C565 M569C565-L567 PolarHBondContact O-N 2.68Å; L567-M569 PolarHBondContact O-N 2.88Å
568D28.3Very low30.9Very low172 Ų172161.7 Ų161.792%0.9281%0.807SS**  trans-56.4113172.5-75.6-43.7000109.2
569M31.3Very low30.9Very low174 Ų174167.5 Ų167.586%0.85784%0.836SS**  trans-89100.3162.1-86.7-90-65.900106.7L567L567-M569 PolarHBondContact O-N 2.88Å
570D30.7Very low30.9Very low157 Ų157168.3 Ų168.384%0.8484%0.842SS**  trans-158.8133.8152.8-86.6-35.3000111.1
571E30Very low30.8Very low180 Ų180170.3 Ų170.384%0.84185%0.852SS**  trans67.796162.7-69.8178.6159.500120.3
572Y29.3Very low30.9Very low235 Ų235173.9 Ų173.992%0.92286%0.861SS**  trans-98.7102148.2-84.2-84.1000109.2
573E27.6Very low31Very low181 Ų181176.9 Ų176.985%0.84687%0.868SS**  trans-69.4132.8165.3-97.4-179.3152.200110.2
574Y31.2Very low30.9Very low229 Ų229181 Ų18190%0.89888%0.876SS**  trans-75.6118.1167.3-89.8-102.3000108.9
575E28.5Very low31Very low179 Ų179180.8 Ų180.884%0.83688%0.878SS**  trans-97.1112.9156.6-75.3-159.5156.600109.5
576D37.5Very low31.2Very low142 Ų142185.7 Ų185.776%0.75989%0.887SS**  trans-63.9125.9159.2-88.5-37.6000108.7
577D30.6Very low31.1Very low156 Ų156187.2 Ų187.283%0.83489%0.886SS**  trans-146.697.5153.1-98.4-21.9000109.8
578F33.6Very low31.2Very low200 Ų200189.5 Ų189.588%0.87789%0.891SS**  trans-104.4111.2157.8-93.1-86.8000108.1
579E35.4Very low31.4Very low269 Ų269191.1 Ų191.1100%1.25789%0.888SS**  trans-133.50137.8-86.1-162.8161.600110.2

Retrieved 579 of 579 residues in 1730.4 ms (Link to these results)

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