A0A060WVA6_ONCMY Loading...

Beta-1,4-glucuronyltransferase 1

AlphaFold DB , UniProt , Accession A0A060WVA6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene b4gat1, Length 432 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
1M38.6Very low58.6Low242 Ų242150.8 Ų150.8100%1.19278%0.777SS**  0107.10-80.5162.172.700108.9
2H41.6Very low60.6Low200 Ų200145.8 Ų145.893%0.92676%0.758SS**  trans-78.1119.4-179.5-104.2-80.6000110.6S4H2-S4 PolarHBondContact O-N 2.88Å
3L44.6Very low62.3Low169 Ų169141.2 Ų141.289%0.88574%0.74SS**  trans-80.8101.5170.1-91.4141.4000109.7K5L3-K5 PolarHBondContact O-N 2.87Å
4S46.1Very low64.2Low102 Ų102137.8 Ų137.871%0.71372%0.722SS**  trans-74.8102.1171.7-175.50000109.8H2 K6H2-S4 PolarHBondContact O-N 2.88Å; S4-K6 PolarHBondContact O-N 3.26Å; S4-K6 VanDerWaalsContact O-N 3.16Å
5K57.3Low65.9Low200 Ų200131.3 Ų131.387%0.8770%0.702SS**  trans-74.896.7165.6-76.5-175.9179.6178.10108.3L3 C7L3-K5 PolarHBondContact O-N 2.87Å; K5-C7 VanDerWaalsContact C-N 3.3Å; K5-C7 PolarHBondContact O-N 3.22Å
6K58.3Low67.2Low194 Ų194126.4 Ų126.484%0.84369%0.685SS**  trans-66.491.8166.1-72.2-174.5178.2-179.10108.7S4 S8S4-K6 PolarHBondContact O-N 3.26Å; S4-K6 VanDerWaalsContact O-N 3.16Å; K6-S8 PolarHBondContact O-N 3.42Å; K6-S8 VanDerWaalsContact O-N 3.07Å
7C60.4Low68.6Low109 Ų109125.5 Ų125.574%0.73668%0.679SS**  trans-68.6102.1167.3-150.40000106.8K5 A9K5-C7 VanDerWaalsContact C-N 3.3Å; K5-C7 PolarHBondContact O-N 3.22Å; C7-A9 PolarHBondContact O-N 2.91Å; C7-A9 VanDerWaalsContact O-N 3.09Å
8S73.1Confident69.9Low61 Ų61123 Ų12343%0.42767%0.668SS.*  trans-65.4111.6178.41770000108.2K6 F10 K11K6-S8 PolarHBondContact O-N 3.42Å; K6-S8 VanDerWaalsContact O-N 3.07Å; S8-F10 PolarHBondContact O-N 3.4Å; S8-K11 PolarHBondContact O-N 2.9Å
9A71.2Confident71.1Confident74 Ų74122.2 Ų122.261%0.61266%0.663SS**Hα-helixtrans-49.5-31177.600000111.9C7 K11 V12 V13C7-A9 PolarHBondContact O-N 2.91Å; C7-A9 VanDerWaalsContact O-N 3.09Å; A9-K11 PolarHBondContact O-N 3.42Å; A9-V12 PolarHBondContact O-N 3.21Å; A9-V13 WeakPolarHBondContact O-CG2 3.47Å; A9-V13 PolarHBondContact O-N 2.96Å
10F75.3Confident72.1Confident150 Ų150119.8 Ų119.866%0.65865%0.652SS**Hα-helixtrans-59.2-41.1173.8-173.7-99.5000113.7S8 V12 V13 L14S8-F10 PolarHBondContact O-N 3.4Å; F10-V12 VanDerWaalsContact C-N 3.34Å; F10-V12 PolarHBondContact O-N 3.02Å; F10-V13 PolarHBondContact O-N 3.24Å; F10-L14 VanDerWaalsContact O-CB 3.31Å; F10-L14 WeakPolarHBondContact O-CB 3.34Å; F10-L14 PolarHBondContact O-N 3.17Å
11K78.1Confident72.9Confident158 Ų158116.4 Ų116.469%0.68764%0.64SS**Hα-helixtrans-69.4-32.9178.3-70.1-172.2176.7-175.70112.2S8 A9 G15S8-K11 PolarHBondContact O-N 2.9Å; A9-K11 PolarHBondContact O-N 3.42Å; K11-G15 PolarHBondContact O-N 3.21Å
12V82.7Confident75.4Confident91 Ų91109.6 Ų109.655%0.55261%0.608SS**Hα-helixtrans-70.4-45176.1179.70000110.4A9 F10 G15 A16A9-V12 PolarHBondContact O-N 3.21Å; F10-V12 VanDerWaalsContact C-N 3.34Å; F10-V12 PolarHBondContact O-N 3.02Å; V12-G15 PolarHBondContact O-N 3.48Å; V12-A16 PolarHBondContact O-N 3.36Å
13V83.2Confident77.6Confident86 Ų86105 Ų10552%0.52159%0.59SS.*Hα-helixtrans-63-43.4176.3172.90000111.2A9 F10 G15 A16 L17A9-V13 WeakPolarHBondContact O-CG2 3.47Å; A9-V13 PolarHBondContact O-N 2.96Å; F10-V13 PolarHBondContact O-N 3.24Å; V13-G15 PolarHBondContact O-N 3.23Å; V13-A16 PolarHBondContact O-N 2.8Å; V13-L17 HydrophobicContact CG1-CD1 4.08Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 3.38Å
14L88.6Confident79.4Confident93 Ų93102.7 Ų102.749%0.48758%0.575SS.*Hα-helixtrans-62.7-42.2176.5-170.368.9000111.6F10 L17 V18F10-L14 VanDerWaalsContact O-CB 3.31Å; F10-L14 WeakPolarHBondContact O-CB 3.34Å; F10-L14 PolarHBondContact O-N 3.17Å; L14-L17 PolarHBondContact O-N 2.81Å; L14-V18 WeakPolarHBondContact O-CG2 3.44Å; L14-V18 PolarHBondContact O-N 2.97Å
15G89.7Confident81Confident41 Ų41104 Ų10442%0.42357%0.571SS.*Hα-helixtrans-62.1-41.717500000113K11 V12 V13 V18 L19K11-G15 PolarHBondContact O-N 3.21Å; V12-G15 PolarHBondContact O-N 3.48Å; V13-G15 PolarHBondContact O-N 3.23Å; G15-V18 PolarHBondContact O-N 3.43Å; G15-L19 WeakPolarHBondContact O-CB 3.21Å; G15-L19 PolarHBondContact O-N 3.2Å
16A86.8Confident82.1Confident52 Ų5298.7 Ų98.743%0.4355%0.551SS.*Hα-helixtrans-65.4-41.1176.800000112.2V12 V13 L19 V20V12-A16 PolarHBondContact O-N 3.36Å; V13-A16 PolarHBondContact O-N 2.8Å; A16-L19 WeakPolarHBondContact O-CB 3.43Å; A16-L19 PolarHBondContact O-N 3.16Å; A16-V20 WeakPolarHBondContact O-CG2 3.33Å; A16-V20 PolarHBondContact O-N 3.2Å
17L91Very high83Confident111 Ų11196.7 Ų96.758%0.58154%0.539SS*.Hα-helixtrans-64-41.9177-75.4168.3000112.2V13 L14 L19 V20 A21V13-L17 HydrophobicContact CG1-CD1 4.08Å; V13-L17 WeakPolarHBondContact O-CG 3.47Å; V13-L17 PolarHBondContact O-N 3.38Å; L14-L17 PolarHBondContact O-N 2.81Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-V20 PolarHBondContact O-N 2.82Å; L17-A21 WeakPolarHBondContact O-CB 3.5Å; L17-A21 PolarHBondContact O-N 3.17Å
18V91.9Very high83.4Confident81 Ų8196.3 Ų96.349%0.49153%0.53SS..Hα-helixtrans-64.1-40.4175.6172.10000111.1L14 G15 A21 L22L14-V18 WeakPolarHBondContact O-CG2 3.44Å; L14-V18 PolarHBondContact O-N 2.97Å; G15-V18 PolarHBondContact O-N 3.43Å; V18-A21 PolarHBondContact O-N 3.41Å; V18-L22 HydrophobicContact CG1-CD1 4.04Å; V18-L22 WeakPolarHBondContact O-CB 3.44Å; V18-L22 WeakPolarHBondContact O-CG 3.37Å; V18-L22 PolarHBondContact O-N 3.34Å
19L92.8Very high83.2Confident108 Ų10896.5 Ų96.557%0.56553%0.531SS*.Hα-helixtrans-62.7-44.5176.4-169.480.5000111.8G15 A16 L17 L22 L23G15-L19 WeakPolarHBondContact O-CB 3.21Å; G15-L19 PolarHBondContact O-N 3.2Å; A16-L19 WeakPolarHBondContact O-CB 3.43Å; A16-L19 PolarHBondContact O-N 3.16Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L19-L22 PolarHBondContact O-N 3.46Å; L19-L23 HydrophobicContact CG-CD1 4.25Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.13Å
20V91.3Very high83.1Confident74 Ų7499.5 Ų99.545%0.44853%0.531SS..Hα-helixtrans-63.8-43.3177.7171.50000111A16 L17 L22 L23 Q24A16-V20 WeakPolarHBondContact O-CG2 3.33Å; A16-V20 PolarHBondContact O-N 3.2Å; L17-V20 PolarHBondContact O-N 2.82Å; V20-L22 VanDerWaalsContact C-N 3.35Å; V20-L22 PolarHBondContact O-N 3.42Å; V20-L23 PolarHBondContact O-N 3.1Å; V20-Q24 HydrophobicContact CG1-CG 4.47Å; V20-Q24 WeakPolarHBondContact O-CB 3.49Å; V20-Q24 WeakPolarHBondContact O-CG 3.47Å; V20-Q24 PolarHBondContact O-N 2.86Å
21A87.6Confident82.2Confident48 Ų4895.5 Ų95.540%0.39752%0.515SS..Hα-helixtrans-61.7-42176.700000112L17 V18 Q24 M25L17-A21 WeakPolarHBondContact O-CB 3.5Å; L17-A21 PolarHBondContact O-N 3.17Å; V18-A21 PolarHBondContact O-N 3.41Å; A21-Q24 PolarHBondContact O-N 2.83Å; A21-M25 VanDerWaalsContact O-CG 3.32Å; A21-M25 WeakPolarHBondContact O-CG 3.29Å; A21-M25 PolarHBondContact O-N 3.04Å
22L91.3Very high81Confident100 Ų10092 Ų9252%0.52451%0.511SS..Hα-helixtrans-62.6-44.9174.8-80.2164.5000111.9V18 L19 V20 Q24 M25 I26V18-L22 HydrophobicContact CG1-CD1 4.04Å; V18-L22 WeakPolarHBondContact O-CB 3.44Å; V18-L22 WeakPolarHBondContact O-CG 3.37Å; V18-L22 PolarHBondContact O-N 3.34Å; L19-L22 PolarHBondContact O-N 3.46Å; V20-L22 VanDerWaalsContact C-N 3.35Å; V20-L22 PolarHBondContact O-N 3.42Å; L22-Q24 VanDerWaalsContact C-N 3.34Å; L22-Q24 PolarHBondContact O-N 3.4Å; L22-M25 PolarHBondContact O-N 2.85Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.41Å; L22-I26 PolarHBondContact O-N 3.08Å
23L88.4Confident79.6Confident104 Ų10494.7 Ų94.755%0.54552%0.515SS..Hα-helixtrans-62.7-40.1177.1-74.1167.1000111.9L19 V20 I26 Y27L19-L23 HydrophobicContact CG-CD1 4.25Å; L19-L23 WeakPolarHBondContact O-CG 3.35Å; L19-L23 PolarHBondContact O-N 3.13Å; V20-L23 PolarHBondContact O-N 3.1Å; L23-I26 PolarHBondContact O-N 3.09Å; L23-Y27 WeakPolarHBondContact O-CB 3.36Å; L23-Y27 PolarHBondContact O-N 3.07Å
24Q82.7Confident78.1Confident119 Ų11995.9 Ų95.956%0.55652%0.518SS*.Hα-helixtrans-65.1-40175.3-76.5179.6-24.100112.2V20 A21 L22 Y27 L28V20-Q24 HydrophobicContact CG1-CG 4.47Å; V20-Q24 WeakPolarHBondContact O-CB 3.49Å; V20-Q24 WeakPolarHBondContact O-CG 3.47Å; V20-Q24 PolarHBondContact O-N 2.86Å; A21-Q24 PolarHBondContact O-N 2.83Å; L22-Q24 VanDerWaalsContact C-N 3.34Å; L22-Q24 PolarHBondContact O-N 3.4Å; Q24-Y27 PolarHBondContact O-N 3.05Å; Q24-L28 WeakPolarHBondContact O-CB 3.33Å; Q24-L28 VanDerWaalsContact O-CG 3.31Å; Q24-L28 WeakPolarHBondContact O-CG 3.46Å; Q24-L28 PolarHBondContact O-N 3.43Å
25M80.1Confident76Confident129 Ų12996.8 Ų96.864%0.63552%0.52SS*.Hα-helixtrans-66.2-38.9175.5-72.9-62.6-66.600112.4A21 L22 S29A21-M25 VanDerWaalsContact O-CG 3.32Å; A21-M25 WeakPolarHBondContact O-CG 3.29Å; A21-M25 PolarHBondContact O-N 3.04Å; L22-M25 PolarHBondContact O-N 2.85Å; M25-S29 WeakPolarHBondContact O-CB 3.38Å; M25-S29 PolarHBondContact O-N 3.27Å
26I80.2Confident73.9Confident90 Ų9096.3 Ų96.346%0.46252%0.515SS..Hα-helixtrans-64.1-45.9173.6-67.1168.9000109.9L22 L23 L28 S29 F30L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.41Å; L22-I26 PolarHBondContact O-N 3.08Å; L23-I26 PolarHBondContact O-N 3.09Å; I26-L28 PolarHBondContact O-N 3.09Å; I26-S29 WeakPolarHBondContact O-CB 3.13Å; I26-S29 PolarHBondContact O-N 3.48Å; I26-F30 HydrophobicContact CG2-CD2 3.77Å; I26-F30 HydrophobicContact CG2-CE2 3.77Å; I26-F30 VanDerWaalsContact O-CD2 3.31Å; I26-F30 WeakPolarHBondContact O-CD2 3.27Å; I26-F30 PolarHBondContact O-N 2.8Å
27Y75.9Confident72.1Confident151 Ų151100.2 Ų100.259%0.59252%0.522SS*.Hα-helixtrans-60.3-45.3177.7-179.8-106.5000112.5L23 Q24 S29 F30 L31L23-Y27 WeakPolarHBondContact O-CB 3.36Å; L23-Y27 PolarHBondContact O-N 3.07Å; Q24-Y27 PolarHBondContact O-N 3.05Å; Y27-S29 VanDerWaalsContact C-N 3.35Å; Y27-S29 PolarHBondContact O-N 3.33Å; Y27-F30 PolarHBondContact O-N 3.38Å; Y27-L31 HydrophobicContact CD1-CD1 3.77Å; Y27-L31 HydrophobicContact CE1-CD1 3.24Å; Y27-L31 HydrophobicContact CE1-CG 4.21Å; Y27-L31 HydrophobicContact CE2-CD1 4.37Å; Y27-L31 PolarHBondContact O-N 3.04Å
28L69.1Low69.8Low102 Ų102101 Ų10153%0.53452%0.523SS..Hα-helixtrans-65.2-35.6176-72.9167.9000112.5Q24 I26 L31 S32Q24-L28 WeakPolarHBondContact O-CB 3.33Å; Q24-L28 VanDerWaalsContact O-CG 3.31Å; Q24-L28 WeakPolarHBondContact O-CG 3.46Å; Q24-L28 PolarHBondContact O-N 3.43Å; I26-L28 PolarHBondContact O-N 3.09Å; L28-L31 PolarHBondContact O-N 2.91Å; L28-S32 VanDerWaalsContact O-CB 3.29Å; L28-S32 WeakPolarHBondContact O-CB 3.43Å; L28-S32 PolarHBondContact O-N 3.31Å
29S70.4Confident67.3Low65 Ų65102.6 Ų102.646%0.45553%0.525SS..Hα-helixtrans-65.2-41173.4-179.40000112.3M25 I26 Y27 K33M25-S29 WeakPolarHBondContact O-CB 3.38Å; M25-S29 PolarHBondContact O-N 3.27Å; I26-S29 WeakPolarHBondContact O-CB 3.13Å; I26-S29 PolarHBondContact O-N 3.48Å; Y27-S29 VanDerWaalsContact C-N 3.35Å; Y27-S29 PolarHBondContact O-N 3.33Å; S29-K33 PolarHBondContact O-N 3.28Å
30F68.2Low64.9Low137 Ų137107.1 Ų107.160%0.60153%0.534SS*.Hα-helixtrans-64.4-44.9173.2-89.4-75.8000111.9I26 Y27 K33 L34I26-F30 HydrophobicContact CG2-CD2 3.77Å; I26-F30 HydrophobicContact CG2-CE2 3.77Å; I26-F30 VanDerWaalsContact O-CD2 3.31Å; I26-F30 WeakPolarHBondContact O-CD2 3.27Å; I26-F30 PolarHBondContact O-N 2.8Å; Y27-F30 PolarHBondContact O-N 3.38Å; F30-K33 PolarHBondContact O-N 3.45Å; F30-L34 WeakPolarHBondContact O-CB 3.44Å; F30-L34 WeakPolarHBondContact O-CD1 3.37Å; F30-L34 PolarHBondContact O-N 3.27Å
31L56.2Low62.5Low65 Ų65108.8 Ų108.834%0.3453%0.533SS..Hα-helixtrans-61.9-43.5175.8-83.2171.2000112.4Y27 L28 L34 H35Y27-L31 HydrophobicContact CD1-CD1 3.77Å; Y27-L31 HydrophobicContact CE1-CD1 3.24Å; Y27-L31 HydrophobicContact CE1-CG 4.21Å; Y27-L31 HydrophobicContact CE2-CD1 4.37Å; Y27-L31 PolarHBondContact O-N 3.04Å; L28-L31 PolarHBondContact O-N 2.91Å; L31-L34 PolarHBondContact O-N 2.97Å; L31-H35 WeakPolarHBondContact O-CB 3.49Å; L31-H35 PolarHBondContact O-N 3.21Å
32S52.6Low60Low84 Ų84115 Ų11559%0.58755%0.547SS*.Hα-helixtrans-63.9-40178176.50000112.4L28 G36L28-S32 VanDerWaalsContact O-CB 3.29Å; L28-S32 WeakPolarHBondContact O-CB 3.43Å; L28-S32 PolarHBondContact O-N 3.31Å; S32-G36 PolarHBondContact O-N 2.84Å
33K54.1Low57.3Low149 Ų149117.4 Ų117.465%0.64855%0.55SS*.Hα-helixtrans-67.2-35.5173.7-86.2-177.6175.6175.50113.3S29 F30 K37S29-K33 PolarHBondContact O-N 3.28Å; F30-K33 PolarHBondContact O-N 3.45Å; K33-K37 WeakPolarHBondContact O-CG 3.33Å; K33-K37 PolarHBondContact O-N 3.39Å
34L51.4Low55.1Low111 Ų111115.8 Ų115.858%0.58155%0.547SS*.Hα-helixtrans-70.8-49.4175.9-86.1153.5000111.1F30 L31 K37 Q38F30-L34 WeakPolarHBondContact O-CB 3.44Å; F30-L34 WeakPolarHBondContact O-CD1 3.37Å; F30-L34 PolarHBondContact O-N 3.27Å; L31-L34 PolarHBondContact O-N 2.97Å; L34-K37 PolarHBondContact O-N 2.76Å; L34-Q38 WeakPolarHBondContact O-CB 3.18Å; L34-Q38 PolarHBondContact O-N 2.98Å; L34-Q38 VanDerWaalsContact O-N 3.07Å
35H45.4Very low53.2Low112 Ų112116.2 Ų116.252%0.51955%0.549SS..Hα-helixtrans-65.7-39.7178.5-112.7104.7000112.7L31 K37 Q38 Q39L31-H35 WeakPolarHBondContact O-CB 3.49Å; L31-H35 PolarHBondContact O-N 3.21Å; H35-K37 VanDerWaalsContact C-N 3.3Å; H35-K37 PolarHBondContact O-N 2.72Å; H35-Q38 PolarHBondContact O-N 2.93Å; H35-Q39 WeakPolarHBondContact O-CB 3.31Å; H35-Q39 PolarHBondContact O-N 2.95Å
36G45.3Very low51.2Low31 Ų31116 Ų11632%0.3255%0.549SS..Hα-helixtrans-65.7-30.1177.800000113.5S32 R40S32-G36 PolarHBondContact O-N 2.84Å; G36-R40 WeakPolarHBondContact O-CB 3.42Å; G36-R40 WeakPolarHBondContact O-CG 2.94Å; G36-R40 PolarHBondContact O-N 3.47Å
37K49.4Very low49.4Very low134 Ų134118.4 Ų118.458%0.58356%0.557SS**Hα-helixtrans-75.2-38.6171.7-76.5-177.5177.1-1730111.9K33 L34 H35 Y41K33-K37 WeakPolarHBondContact O-CG 3.33Å; K33-K37 PolarHBondContact O-N 3.39Å; L34-K37 PolarHBondContact O-N 2.76Å; H35-K37 VanDerWaalsContact C-N 3.3Å; H35-K37 PolarHBondContact O-N 2.72Å; K37-Y41 PolarHBondContact O-N 3.41Å; K37-Y41 VanDerWaalsContact O-N 3.16Å
38Q41.6Very low47.6Very low127 Ų127114.6 Ų114.659%0.59356%0.564SS**Hα-helixtrans-72.8-35.1-180-153167.7-500112.4L34 H35 Y41 R42L34-Q38 WeakPolarHBondContact O-CB 3.18Å; L34-Q38 PolarHBondContact O-N 2.98Å; L34-Q38 VanDerWaalsContact O-N 3.07Å; H35-Q38 PolarHBondContact O-N 2.93Å; Q38-Y41 WeakPolarHBondContact O-CB 3.4Å; Q38-Y41 PolarHBondContact O-N 3.22Å; Q38-R42 PolarHBondContact O-N 2.92Å
39Q38.7Very low46.1Very low115 Ų115114.8 Ų114.854%0.53757%0.574SS.*Hα-helixtrans-71.1-39.3171.6-89.2-179-45.100112.7H35 Y41 R42 Y43H35-Q39 WeakPolarHBondContact O-CB 3.31Å; H35-Q39 PolarHBondContact O-N 2.95Å; Q39-Y41 PolarHBondContact O-N 2.67Å; Q39-R42 PolarHBondContact O-N 3.07Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.42Å; Q39-Y43 PolarHBondContact O-N 3.27Å
40R42.6Very low44.8Very low203 Ų203117 Ų11777%0.76659%0.589SS**Hα-helixtrans-59.3-37.1172.5-84.7178.8179.3173.40.8112.1G36 Y43 S44G36-R40 WeakPolarHBondContact O-CB 3.42Å; G36-R40 WeakPolarHBondContact O-CG 2.94Å; G36-R40 PolarHBondContact O-N 3.47Å; R40-Y43 PolarHBondContact O-N 3.47Å; R40-S44 PolarHBondContact O-N 3.49Å; R40-S44 PolarHBondContact O-OG 2.95Å
41Y41.5Very low43.5Very low108 Ų108113.8 Ų113.842%0.42459%0.594SS.*Hα-helixtrans-64.2-45.3174.5-178.5-89.8000112.3K37 Q38 Q39 Y43 S44 E45K37-Y41 PolarHBondContact O-N 3.41Å; K37-Y41 VanDerWaalsContact O-N 3.16Å; Q38-Y41 WeakPolarHBondContact O-CB 3.4Å; Q38-Y41 PolarHBondContact O-N 3.22Å; Q39-Y41 PolarHBondContact O-N 2.67Å; Y41-Y43 VanDerWaalsContact C-N 3.31Å; Y41-Y43 PolarHBondContact O-N 2.88Å; Y41-S44 WeakPolarHBondContact CA-OG 3.34Å; Y41-S44 PolarHBondContact O-N 3.39Å; Y41-S44 PolarHBondContact O-OG 2.97Å; Y41-E45 VanDerWaalsContact CE1-CD 3.46Å; Y41-E45 HydrophobicContact CE1-CG 4.19Å; Y41-E45 WeakPolarHBondContact CE1-OE1 3.49Å; Y41-E45 VanDerWaalsContact CZ-OE1 3.31Å; Y41-E45 PolarHBondContact O-N 3.27Å; Y41-E45 PolarHBondContact OH-OE1 3.34Å
42R35.4Very low42.6Very low180 Ų180120.4 Ų120.468%0.67962%0.62SS**Hα-helixtrans-65.4-34.7176.8-140.3178-175.3-1780.3112.1Q38 Q39 L46Q38-R42 PolarHBondContact O-N 2.92Å; Q39-R42 PolarHBondContact O-N 3.07Å; R42-L46 WeakPolarHBondContact O-CD1 3.48Å; R42-L46 PolarHBondContact O-N 2.92Å
43Y34.5Very low42.1Very low150 Ų150126.1 Ų126.159%0.58864%0.635SS**Hα-helixtrans-72.3-34173.6-95.9-87.5000113.1Q39 R40 Y41 L46 F47Q39-Y43 WeakPolarHBondContact O-CD2 3.42Å; Q39-Y43 PolarHBondContact O-N 3.27Å; R40-Y43 PolarHBondContact O-N 3.47Å; Y41-Y43 VanDerWaalsContact C-N 3.31Å; Y41-Y43 PolarHBondContact O-N 2.88Å; Y43-L46 PolarHBondContact O-N 3.02Å; Y43-F47 AromaticContact CD1-CD2 3.72Å; Y43-F47 HydrophobicContact CD1-CD2 3.72Å; Y43-F47 AromaticContact CD1-CE2 3.85Å; Y43-F47 HydrophobicContact CD1-CE2 3.85Å; Y43-F47 HydrophobicContact CE1-CD2 4.21Å; Y43-F47 AromaticContact CE1-CE2 3.87Å; Y43-F47 HydrophobicContact CE1-CE2 3.87Å; Y43-F47 PolarHBondContact O-N 2.96Å
44S41.8Very low41.4Very low69 Ų69127.1 Ų127.148%0.48365%0.647SS.*Hα-helixtrans-72.7-29.5174.654.60000113.4R40 Y41R40-S44 PolarHBondContact O-N 3.49Å; R40-S44 PolarHBondContact O-OG 2.95Å; Y41-S44 WeakPolarHBondContact CA-OG 3.34Å; Y41-S44 PolarHBondContact O-N 3.39Å; Y41-S44 PolarHBondContact O-OG 2.97Å
45E43.3Very low41.1Very low129 Ų129124.4 Ų124.460%0.60364%0.641SS**Hα-helixtrans-69.6-36169.4-83-177.9165.500112.2Y41Y41-E45 VanDerWaalsContact CE1-CD 3.46Å; Y41-E45 HydrophobicContact CE1-CG 4.19Å; Y41-E45 WeakPolarHBondContact CE1-OE1 3.49Å; Y41-E45 VanDerWaalsContact CZ-OE1 3.31Å; Y41-E45 PolarHBondContact O-N 3.27Å; Y41-E45 PolarHBondContact OH-OE1 3.34Å
46L37.7Very low41.6Very low123 Ų123123.4 Ų123.464%0.64464%0.639SS**Hα-helixtrans-82.9-29.4-179.4-99.9120.1000114.4R42 Y43R42-L46 WeakPolarHBondContact O-CD1 3.48Å; R42-L46 PolarHBondContact O-N 2.92Å; Y43-L46 PolarHBondContact O-N 3.02Å
47F42.2Very low42.1Very low141 Ų141126.7 Ų126.762%0.61866%0.655SS**  trans-130.566.4-176-60.7-81.3000110.6Y43 S49Y43-F47 AromaticContact CD1-CD2 3.72Å; Y43-F47 HydrophobicContact CD1-CD2 3.72Å; Y43-F47 AromaticContact CD1-CE2 3.85Å; Y43-F47 HydrophobicContact CD1-CE2 3.85Å; Y43-F47 HydrophobicContact CE1-CD2 4.21Å; Y43-F47 AromaticContact CE1-CE2 3.87Å; Y43-F47 HydrophobicContact CE1-CE2 3.87Å; Y43-F47 PolarHBondContact O-N 2.96Å; F47-S49 VanDerWaalsContact C-N 3.31Å; F47-S49 PolarHBondContact O-N 3.21Å
48G38Very low42.7Very low71 Ų71126.1 Ų126.173%0.73265%0.654SS**  trans-62.192165.300000110.1S50G48-S50 PolarHBondContact O-N 3.23Å
49S37.9Very low43.5Very low107 Ų107124.6 Ų124.675%0.74865%0.645SS**  trans-62.8119.8-179.6-176.60000111.4F47 G51F47-S49 VanDerWaalsContact C-N 3.31Å; F47-S49 PolarHBondContact O-N 3.21Å; S49-G51 PolarHBondContact O-N 2.77Å
50S42.2Very low44.9Very low112 Ų112122.8 Ų122.878%0.78364%0.639SS**  trans-21.6106.9145.4480000114.2G48G48-S50 PolarHBondContact O-N 3.23Å
51G41.3Very low46.7Very low68 Ų68115 Ų11570%0.70162%0.616SS**  trans157.369.2166.100000117.1S49S49-G51 PolarHBondContact O-N 2.77Å
52K36.8Very low48.6Very low205 Ų205111.4 Ų111.489%0.89160%0.602SS**  trans162.9104.9139.6-92.8172.7-179179.70109.2
53K43.3Very low50.9Low204 Ų204105 Ų10589%0.88758%0.579SS**THydrogen-bonded Turntrans-68.4128.6173.5-72.1178173.6179.40109.1
54N39.9Very low53.3Low170 Ų170103.7 Ų103.791%0.90958%0.578SS**THydrogen-bonded Turntrans119.411.3167.4-61.2-4.7000118.2
55A44.8Very low55.4Low54 Ų54106.6 Ų106.645%0.44658%0.579SS.*SBendtrans-108.5130.6166.100000110.8P57A55-P57 WeakPolarHBondContact O-CD 3.31Å
56N55.6Low57.6Low91 Ų91100.5 Ų100.549%0.48755%0.55SS.*  trans-61.5118.7177.3-162.78.8000109.2E58 K59N56-E58 PolarHBondContact O-N 3.37Å; N56-E58 VanDerWaalsContact O-N 3.1Å; N56-K59 HydrophobicContact CB-CD 4.2Å; N56-K59 HydrophobicContact CB-CG 4.12Å; N56-K59 WeakPolarHBondContact O-CB 3.44Å; N56-K59 PolarHBondContact O-N 3.36Å
57P56.6Low60.1Low100 Ų100100.2 Ų100.265%0.64954%0.541SS*.Hα-helixtrans-53.8-35.5-169.6-27.633.8000114.5A55 N60 S61A55-P57 WeakPolarHBondContact O-CD 3.31Å; P57-N60 PolarHBondContact O-N 3.08Å; P57-S61 PolarHBondContact O-N 3.5Å
58E60Low62.3Low122 Ų122100.3 Ų100.357%0.5754%0.538SS*.Hα-helixtrans-67.4-33177.9-67.7-175.3156.600113.8N56 N60 S61 R62N56-E58 PolarHBondContact O-N 3.37Å; N56-E58 VanDerWaalsContact O-N 3.1Å; E58-N60 VanDerWaalsContact C-N 3.33Å; E58-S61 PolarHBondContact O-N 2.92Å; E58-S61 PolarHBondContact O-OG 3.13Å; E58-R62 PolarHBondContact O-N 3.19Å; E58-R62 VanDerWaalsContact O-N 3.13Å
59K59.7Low64.9Low94 Ų9497.6 Ų97.641%0.40951%0.508SS..Hα-helixtrans-67.6-38.2177.9-66.8-171.8176.9-174.70110.9N56 K63 I156N56-K59 HydrophobicContact CB-CD 4.2Å; N56-K59 HydrophobicContact CB-CG 4.12Å; N56-K59 WeakPolarHBondContact O-CB 3.44Å; N56-K59 PolarHBondContact O-N 3.36Å; K59-K63 PolarHBondContact O-N 3.33Å; K59-I156 HydrophobicContact CB-CD1 4.39Å; K59-I156 HydrophobicContact CD-CG2 4.35Å; K59-I156 HydrophobicContact CG-CD1 4.12Å
60N68.2Low67.5Low77 Ų7792.9 Ų92.941%0.41247%0.474SS..Hα-helixtrans-67.8-42.1176.4-76.7-12.2000111.5P57 E58 R62 K63 E64P57-N60 PolarHBondContact O-N 3.08Å; E58-N60 VanDerWaalsContact C-N 3.33Å; N60-R62 PolarHBondContact O-N 3.23Å; N60-K63 PolarHBondContact O-N 3.33Å; N60-E64 WeakPolarHBondContact O-CG 3.48Å; N60-E64 PolarHBondContact O-N 3.29Å
61S80.1Confident69.8Low40 Ų4091 Ų9128%0.2846%0.461SS..Hα-helixtrans-65.4-38.9179.873.30000112.8P57 E58 E64 R65P57-S61 PolarHBondContact O-N 3.5Å; E58-S61 PolarHBondContact O-N 2.92Å; E58-S61 PolarHBondContact O-OG 3.13Å; S61-E64 PolarHBondContact O-N 3.34Å; S61-R65 WeakPolarHBondContact O-CG 3.13Å; S61-R65 PolarHBondContact O-N 2.7Å
62R80.9Confident72.2Confident33 Ų3391.6 Ų91.613%0.12545%0.451CS..Hα-helixtrans-64.9-44.1174.4-78-171.5-177.5147.415.5113E58 N60 E64 R65 L66 D92 T155 Q162E58-R62 PolarHBondContact O-N 3.19Å; E58-R62 VanDerWaalsContact O-N 3.13Å; N60-R62 PolarHBondContact O-N 3.23Å; R62-E64 VanDerWaalsContact C-N 3.26Å; R62-E64 PolarHBondContact O-N 3.49Å; R62-R65 PolarHBondContact O-N 3Å; R62-L66 PolarHBondContact O-N 2.94Å; R62-D92 IonicContact CZ-OD1 3.88Å; R62-D92 IonicContact NH2-OD1 3.85Å; R62-D92 PolarHBondContact NH2-OD1 3.37Å; R62-D92 IonicContact NH2-OD2 3.03Å; R62-D92 PolarHBondContact NH2-OD2 2.97Å; R62-T155 PolarHBondContact NH1-O 3.26Å; R62-Q162 VanDerWaalsContact CZ-CD 3.49Å
63K83.6Confident74.7Confident45 Ų4582.3 Ų82.320%0.19641%0.414CS..Hα-helixtrans-59.2-41.6177.1-169.2174.6-176.4171.60111.3K59 N60 R67 Y152 F179 D183K59-K63 PolarHBondContact O-N 3.33Å; N60-K63 PolarHBondContact O-N 3.33Å; K63-R67 WeakPolarHBondContact O-CB 3.48Å; K63-R67 WeakPolarHBondContact O-CG 3.12Å; K63-R67 PolarHBondContact O-N 3.22Å; K63-Y152 HydrophobicContact CB-CE2 3.88Å; K63-Y152 HydrophobicContact CG-CE2 4.29Å; K63-F179 HydrophobicContact CD-CE1 4.47Å; K63-F179 HydrophobicContact CG-CE1 4.43Å; K63-F179 HydrophobicContact CG-CZ 4.39Å; K63-D183 WeakPolarHBondContact CE-OD2 3.18Å; K63-D183 IonicContact NZ-OD2 3.84Å; K63-D183 PolarHBondContact NZ-OD2 2.91Å
64E85Confident77.1Confident123 Ų12373.4 Ų73.458%0.57538%0.379SS*.Hα-helixtrans-66.1-44.2176.6-73.1171-178.600112.3N60 S61 R62 L66 R67 Y68N60-E64 WeakPolarHBondContact O-CG 3.48Å; N60-E64 PolarHBondContact O-N 3.29Å; S61-E64 PolarHBondContact O-N 3.34Å; R62-E64 VanDerWaalsContact C-N 3.26Å; R62-E64 PolarHBondContact O-N 3.49Å; E64-L66 PolarHBondContact O-N 2.9Å; E64-R67 PolarHBondContact O-N 3.35Å; E64-Y68 WeakPolarHBondContact O-CB 3.39Å; E64-Y68 PolarHBondContact O-N 3.29Å
65R86.8Confident79.8Confident129 Ų12971 Ų7149%0.48737%0.365SS..Hα-helixtrans-59.3-44.1174.6-73.6177-172.2-178.84.4112.3S61 R62 Y68 S69S61-R65 WeakPolarHBondContact O-CG 3.13Å; S61-R65 PolarHBondContact O-N 2.7Å; R62-R65 PolarHBondContact O-N 3Å; R65-Y68 WeakPolarHBondContact O-CB 3.45Å; R65-Y68 PolarHBondContact O-N 2.91Å; R65-S69 PolarHBondContact O-N 3.36Å
66L89.7Confident82.2Confident2 Ų273.7 Ų73.71%0.0137%0.367CS..Hα-helixtrans-62.6-47.6176.2174.760000111.3R62 E64 Y68 S69 L70 L88 I89 Y152 F179R62-L66 PolarHBondContact O-N 2.94Å; E64-L66 PolarHBondContact O-N 2.9Å; L66-Y68 VanDerWaalsContact C-N 3.26Å; L66-Y68 PolarHBondContact O-N 3.48Å; L66-S69 PolarHBondContact O-N 3.04Å; L66-L70 HydrophobicContact CD1-CD1 3.9Å; L66-L70 HydrophobicContact CD1-CG 4.13Å; L66-L70 HydrophobicContact CG-CD1 3.95Å; L66-L70 VanDerWaalsContact O-CG 3.3Å; L66-L70 WeakPolarHBondContact O-CG 3.4Å; L66-L70 PolarHBondContact O-N 2.99Å; L66-L88 HydrophobicContact CD1-CD1 3.53Å; L66-L88 HydrophobicContact CD1-CD2 4.15Å; L66-L88 HydrophobicContact CD1-CG 3.56Å; L66-I89 HydrophobicContact CD1-CD1 4.22Å; L66-I89 HydrophobicContact CD1-CG1 3.91Å; L66-I89 HydrophobicContact CD2-CD1 4.09Å; L66-Y152 HydrophobicContact CD2-CD2 3.75Å; L66-Y152 HydrophobicContact CD2-CG 3.97Å; L66-F179 HydrophobicContact CD2-CD2 3.49Å; L66-F179 VanDerWaalsContact CD2-CD2 3.49Å; L66-F179 HydrophobicContact CD2-CE2 3.43Å; L66-F179 VanDerWaalsContact CD2-CE2 3.43Å; L66-F179 HydrophobicContact CG-CD2 4.09Å; L66-F179 HydrophobicContact CG-CE2 4.45Å
67R89.5Confident84.1Confident117 Ų11770 Ų7044%0.44235%0.347SS..Hα-helixtrans-58-40.3175.4-78.4176.4172.6179-8.2111.6K63 E64 S71 F179 D183K63-R67 WeakPolarHBondContact O-CB 3.48Å; K63-R67 WeakPolarHBondContact O-CG 3.12Å; K63-R67 PolarHBondContact O-N 3.22Å; E64-R67 PolarHBondContact O-N 3.35Å; R67-S71 VanDerWaalsContact O-CB 3.31Å; R67-S71 WeakPolarHBondContact O-CB 3.3Å; R67-S71 PolarHBondContact O-N 3.29Å; R67-F179 HydrophobicContact CG-CB 4.14Å; R67-F179 HydrophobicContact CG-CG 4.35Å; R67-D183 IonicContact NH2-OD2 3.54Å
68Y89.3Confident85.8Confident142 Ų14271.2 Ų71.256%0.55736%0.355SS*.Hα-helixtrans-62.7-51.3175.1176.4-98.4000111.5E64 R65 L66 L70 S71 T72E64-Y68 WeakPolarHBondContact O-CB 3.39Å; E64-Y68 PolarHBondContact O-N 3.29Å; R65-Y68 WeakPolarHBondContact O-CB 3.45Å; R65-Y68 PolarHBondContact O-N 2.91Å; L66-Y68 VanDerWaalsContact C-N 3.26Å; L66-Y68 PolarHBondContact O-N 3.48Å; Y68-L70 VanDerWaalsContact C-N 3.3Å; Y68-L70 PolarHBondContact O-N 2.91Å; Y68-S71 WeakPolarHBondContact O-CA 3.4Å; Y68-S71 WeakPolarHBondContact O-CB 3.47Å; Y68-S71 PolarHBondContact O-N 3.29Å; Y68-S71 PolarHBondContact O-OG 2.97Å; Y68-T72 PolarHBondContact O-N 3.47Å
69S91.4Very high87.4Confident15 Ų1568.1 Ų68.111%0.10535%0.347CS..Hα-helixtrans-56.8-43.6178.6-170.60000111.7R65 L66 S71 T72R65-S69 PolarHBondContact O-N 3.36Å; L66-S69 PolarHBondContact O-N 3.04Å; S69-S71 PolarHBondContact O-N 2.89Å; S69-T72 WeakPolarHBondContact O-CB 3.31Å; S69-T72 WeakPolarHBondContact O-CG2 3.49Å; S69-T72 PolarHBondContact O-N 3.14Å; S69-T72 PolarHBondContact O-OG1 3.01Å
70L92.6Very high89Confident8 Ų865.3 Ų65.34%0.04235%0.345CS..Hα-helixtrans-64.5-38.9174.3-66.7170000112.5L66 Y68 T72 G73 Y85 L88 T148 A177 F179L66-L70 HydrophobicContact CD1-CD1 3.9Å; L66-L70 HydrophobicContact CD1-CG 4.13Å; L66-L70 HydrophobicContact CG-CD1 3.95Å; L66-L70 VanDerWaalsContact O-CG 3.3Å; L66-L70 WeakPolarHBondContact O-CG 3.4Å; L66-L70 PolarHBondContact O-N 2.99Å; Y68-L70 VanDerWaalsContact C-N 3.3Å; Y68-L70 PolarHBondContact O-N 2.91Å; L70-T72 PolarHBondContact O-N 3.29Å; L70-G73 PolarHBondContact O-N 3.18Å; L70-Y85 HydrophobicContact CD2-CD1 4.22Å; L70-Y85 HydrophobicContact CD2-CE1 4.28Å; L70-L88 HydrophobicContact CD2-CD1 3.54Å; L70-L88 HydrophobicContact CG-CD1 3.87Å; L70-T148 HydrophobicContact CD1-CG2 4.21Å; L70-T148 HydrophobicContact CD2-CG2 3.84Å; L70-A177 HydrophobicContact CD2-CB 3.51Å; L70-F179 HydrophobicContact CD1-CB 3.91Å; L70-F179 HydrophobicContact CD1-CD2 4.42Å
71S91.1Very high90.3Very high71 Ų7165.6 Ų65.650%0.49734%0.344SS..Hα-helixtrans-67.1-15.5179.7810000114.5R67 Y68 S69 G73R67-S71 VanDerWaalsContact O-CB 3.31Å; R67-S71 WeakPolarHBondContact O-CB 3.3Å; R67-S71 PolarHBondContact O-N 3.29Å; Y68-S71 WeakPolarHBondContact O-CA 3.4Å; Y68-S71 WeakPolarHBondContact O-CB 3.47Å; Y68-S71 PolarHBondContact O-N 3.29Å; Y68-S71 PolarHBondContact O-OG 2.97Å; S69-S71 PolarHBondContact O-N 2.89Å; S71-G73 PolarHBondContact O-N 3.42Å
72T90.8Very high91Very high82 Ų8263.9 Ų63.950%0.50333%0.331SS..THydrogen-bonded Turntrans-65-20171.869.30000112.1Y68 S69 L70 G74Y68-T72 PolarHBondContact O-N 3.47Å; S69-T72 WeakPolarHBondContact O-CB 3.31Å; S69-T72 WeakPolarHBondContact O-CG2 3.49Å; S69-T72 PolarHBondContact O-N 3.14Å; S69-T72 PolarHBondContact O-OG1 3.01Å; L70-T72 PolarHBondContact O-N 3.29Å; T72-G74 PolarHBondContact O-N 3.27Å; T72-G74 PolarHBondContact OG1-N 3.09Å; T72-G74 VanDerWaalsContact OG1-N 3.16Å
73G90.8Very high91.8Very high10 Ų1063.8 Ų63.810%0.10333%0.331CS..THydrogen-bonded Turntrans72.97.8-173.700000113.3L70 S71 R83L70-G73 PolarHBondContact O-N 3.18Å; S71-G73 PolarHBondContact O-N 3.42Å; G73-R83 WeakPolarHBondContact O-CD 3.29Å; G73-R83 WeakPolarHBondContact O-CG 3.47Å; G73-R83 PolarHBondContact O-NH1 3.37Å
74G93.3Very high92.5Very high16 Ų1662 Ų6217%0.16532%0.324CS..  trans63.2179.1-177.700000113.6T72 V84T72-G74 PolarHBondContact O-N 3.27Å; T72-G74 PolarHBondContact OG1-N 3.09Å; T72-G74 VanDerWaalsContact OG1-N 3.16Å; G74-V84 WeakPolarHBondContact CA-O 3.44Å
75I95.8Very high93Very high120 Ų12056.2 Ų56.262%0.61530%0.297SS*.EExtended strand (participates in β ladder)trans-117.5142.9-178.4-52.9171.9000108.5R83 V84I75-R83 CarbonylContact O-C 3.59Å; I75-V84 PolarHBondContact N-O 3.42Å; I75-V84 PolarHBondContact O-N 3.2Å
76F96.4Very high93.4Very high110 Ų11055.3 Ų55.348%0.48230%0.296SS..EExtended strand (participates in β ladder)trans-73.7143.6174.5-64.4-65.9000111.5Y82 R83F76-Y82 WeakPolarHBondContact CA-O 3.07Å; F76-R83 VanDerWaalsContact CE1-NH2 3.28Å
77D95Very high93.5Very high13 Ų1358.1 Ų58.17%0.0731%0.311CS..  trans-67.7164.9167.882.8-69.7000110.5S79 G80 Q81 Y82 L224D77-S79 PolarHBondContact O-N 3.37Å; D77-S79 VanDerWaalsContact O-N 3.07Å; D77-S79 PolarHBondContact OD1-OG 3.41Å; D77-S79 VanDerWaalsContact OD2-CB 3.23Å; D77-S79 WeakPolarHBondContact OD2-CB 3.38Å; D77-S79 PolarHBondContact OD2-N 3.47Å; D77-S79 PolarHBondContact OD2-OG 3.3Å; D77-G80 PolarHBondContact O-N 3.49Å; D77-G80 PolarHBondContact OD1-N 3.4Å; D77-Q81 PolarHBondContact OD1-N 3.42Å; D77-Y82 PolarHBondContact N-O 2.75Å; D77-Y82 WeakPolarHBondContact OD1-CA 3.31Å; D77-Y82 PolarHBondContact OD1-N 3.13Å; D77-L224 HydrophobicContact CB-CD1 4.08Å; D77-L224 HydrophobicContact CB-CD2 4.19Å
78P92.9Very high93.7Very high126 Ų12652.8 Ų52.882%0.81829%0.292SS*.THydrogen-bonded Turntrans-56.2-27.3-179-26.936.2000114.6
79S92.8Very high93.9Very high57 Ų5746.9 Ų46.940%0.39927%0.269SS..THydrogen-bonded Turntrans-81.8-13176.1780000114.1D77 Q81D77-S79 PolarHBondContact O-N 3.37Å; D77-S79 VanDerWaalsContact O-N 3.07Å; D77-S79 PolarHBondContact OD1-OG 3.41Å; D77-S79 VanDerWaalsContact OD2-CB 3.23Å; D77-S79 WeakPolarHBondContact OD2-CB 3.38Å; D77-S79 PolarHBondContact OD2-N 3.47Å; D77-S79 PolarHBondContact OD2-OG 3.3Å; S79-Q81 PolarHBondContact O-N 3.43Å; S79-Q81 WeakPolarHBondContact OG-CB 3.48Å; S79-Q81 WeakPolarHBondContact OG-CG 3.32Å; S79-Q81 PolarHBondContact OG-N 2.04Å
80G94Very high94Very high35 Ų3550.8 Ų50.836%0.36129%0.285SS..SBendtrans71.75.5-175.300000114.8D77 S173D77-G80 PolarHBondContact O-N 3.49Å; D77-G80 PolarHBondContact OD1-N 3.4Å; G80-S173 WeakPolarHBondContact O-CB 3.41Å; G80-S173 PolarHBondContact O-OG 2.94Å; G80-S173 VanDerWaalsContact O-OG 3.06Å
81Q93.8Very high94Very high84 Ų8450.5 Ų50.539%0.39328%0.283SS..SBendtrans-87.1-20.8-175.7-64.4-174.5-5.200113.2D77 S79 H172 S173D77-Q81 PolarHBondContact OD1-N 3.42Å; S79-Q81 PolarHBondContact O-N 3.43Å; S79-Q81 WeakPolarHBondContact OG-CB 3.48Å; S79-Q81 WeakPolarHBondContact OG-CG 3.32Å; S79-Q81 PolarHBondContact OG-N 2.04Å; Q81-H172 PolarHBondContact O-ND1 2.82Å; Q81-S173 PolarHBondContact O-N 3.16Å; Q81-S173 PolarHBondContact O-OG 3.14Å
82Y96.4Very high94Very high3 Ų349.1 Ų49.11%0.01227%0.27CS..EExtended strand (participates in β ladder)trans-128.1150.7-175.8-57.9-78.7000111F76 D77 F138 V170 C171 H172 S219 P221 L224F76-Y82 WeakPolarHBondContact CA-O 3.07Å; D77-Y82 PolarHBondContact N-O 2.75Å; D77-Y82 WeakPolarHBondContact OD1-CA 3.31Å; D77-Y82 PolarHBondContact OD1-N 3.13Å; Y82-F138 AromaticContact CD1-CE2 3.86Å; Y82-F138 HydrophobicContact CD1-CE2 3.86Å; Y82-F138 AromaticContact CE1-CE2 3.68Å; Y82-F138 HydrophobicContact CE1-CE2 3.68Å; Y82-F138 HydrophobicContact CE1-CZ 4.09Å; Y82-V170 HydrophobicContact CD1-CG1 4.27Å; Y82-V170 HydrophobicContact CG-CG1 4.35Å; Y82-C171 CarbonylContact C-O 3.3Å; Y82-C171 VanDerWaalsContact CA-O 3.29Å; Y82-C171 WeakPolarHBondContact CA-O 3.3Å; Y82-H172 AromaticContact CE1-CE1 3.52Å; Y82-H172 AromaticContact CE1-ND1 3.83Å; Y82-H172 AromaticContact CE1-NE2 3.94Å; Y82-S219 PolarHBondContact OH-O 2.89Å; Y82-P221 HydrophobicContact CD1-CG 4.22Å; Y82-P221 HydrophobicContact CE1-CB 4.08Å; Y82-P221 HydrophobicContact CE1-CG 3.75Å; Y82-P221 HydrophobicContact CE2-CB 3.89Å; Y82-P221 HydrophobicContact CE2-CG 4.41Å; Y82-L224 HydrophobicContact CD2-CD2 3.62Å; Y82-L224 HydrophobicContact CE2-CD2 4.38Å; Y82-L224 HydrophobicContact CG-CD2 3.71Å
83R96.7Very high93.9Very high31 Ų3148 Ų4812%0.11726%0.258CS..EExtended strand (participates in β ladder)trans-113.3128.9173.2-177.1-174.5-63.5-69.8-1.5108.1G73 I75 F76 Y85 V170 C171 S173 Q175G73-R83 WeakPolarHBondContact O-CD 3.29Å; G73-R83 WeakPolarHBondContact O-CG 3.47Å; G73-R83 PolarHBondContact O-NH1 3.37Å; I75-R83 CarbonylContact O-C 3.59Å; F76-R83 VanDerWaalsContact CE1-NH2 3.28Å; R83-Y85 WeakPolarHBondContact CD-OH 3.17Å; R83-Y85 HydrophobicContact CG-CD2 4.49Å; R83-Y85 HydrophobicContact CG-CE2 3.79Å; R83-V170 WeakPolarHBondContact O-CA 3.49Å; R83-C171 PolarHBondContact N-O 3.49Å; R83-C171 PolarHBondContact O-N 3.45Å; R83-S173 PolarHBondContact NE-O 3.16Å; R83-S173 PolarHBondContact NH2-O 3.21Å; R83-Q175 VanDerWaalsContact CD-O 3.32Å; R83-Q175 WeakPolarHBondContact CD-O 3.05Å; R83-Q175 PolarHBondContact NE-O 3.46Å
84V97.9Very high93.6Very high8 Ų848.4 Ų48.45%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-116.2119.9-173.6-174.10000109.3G74 I75 K86 V170 V228G74-V84 WeakPolarHBondContact CA-O 3.44Å; I75-V84 PolarHBondContact N-O 3.42Å; I75-V84 PolarHBondContact O-N 3.2Å; V84-K86 HydrophobicContact CG1-CG 3.62Å; V84-V170 HydrophobicContact CG1-CG2 4.22Å; V84-V170 HydrophobicContact CG2-CG1 4.42Å; V84-V170 HydrophobicContact CG2-CG2 4.25Å; V84-V228 HydrophobicContact CG1-CG1 3.95Å; V84-V228 HydrophobicContact CG1-CG2 3.73Å; V84-V228 HydrophobicContact CG2-CG2 4.31Å
85Y97.1Very high93.2Very high2 Ų250.4 Ų50.41%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-99.290.5168.1-59.3-98.6000107.5L70 R83 H168 L169 A177L70-Y85 HydrophobicContact CD2-CD1 4.22Å; L70-Y85 HydrophobicContact CD2-CE1 4.28Å; R83-Y85 WeakPolarHBondContact CD-OH 3.17Å; R83-Y85 HydrophobicContact CG-CD2 4.49Å; R83-Y85 HydrophobicContact CG-CE2 3.79Å; Y85-H168 WeakPolarHBondContact O-CA 3.48Å; Y85-L169 HydrophobicContact CD2-CB 4.42Å; Y85-L169 HydrophobicContact CD2-CD2 4.3Å; Y85-L169 HydrophobicContact CD2-CG 4.4Å; Y85-L169 PolarHBondContact N-O 3.22Å; Y85-L169 PolarHBondContact O-N 3.47Å; Y85-A177 HydrophobicContact CD2-CB 4.19Å; Y85-A177 HydrophobicContact CE1-CB 4.15Å; Y85-A177 HydrophobicContact CE2-CB 3.62Å; Y85-A177 PolarHBondContact OH-N 2.86Å
86K94.1Very high92.6Very high109 Ų10950.4 Ų50.447%0.47427%0.27SS..EExtended strand (participates in β ladder)trans-74.4144.7175.3-63.9-170.3177.7-176.20109.7V84 L88V84-K86 HydrophobicContact CG1-CG 3.62Å; K86-L88 VanDerWaalsContact C-N 3.25Å; K86-L88 PolarHBondContact O-N 3.07Å
87N92.5Very high91.3Very high61 Ų6148.5 Ų48.533%0.32626%0.263SS..EExtended strand (participates in β ladder)trans53.546.7178.3-53.8-35000110.9I89 K90 H168N87-I89 VanDerWaalsContact C-N 3.29Å; N87-I89 PolarHBondContact O-N 3.21Å; N87-K90 HydrophobicContact CB-CD 4.49Å; N87-K90 HydrophobicContact CB-CG 4.09Å; N87-K90 VanDerWaalsContact CG-CE 3.42Å; N87-H168 PolarHBondContact N-ND1 3.08Å; N87-H168 VanDerWaalsContact N-ND1 3.13Å; N87-H168 PolarHBondContact OD1-CE1 3.29Å
88L93.9Very high89.7Confident6 Ų655.8 Ų55.83%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-58.9-47.4-179.4-178.770.6000109.9L66 L70 K86 V151 F167 L169L66-L88 HydrophobicContact CD1-CD1 3.53Å; L66-L88 HydrophobicContact CD1-CD2 4.15Å; L66-L88 HydrophobicContact CD1-CG 3.56Å; L70-L88 HydrophobicContact CD2-CD1 3.54Å; L70-L88 HydrophobicContact CG-CD1 3.87Å; K86-L88 VanDerWaalsContact C-N 3.25Å; K86-L88 PolarHBondContact O-N 3.07Å; L88-V151 HydrophobicContact CD2-CG1 4.44Å; L88-F167 WeakPolarHBondContact CB-O 3.45Å; L88-F167 PolarHBondContact N-O 3.33Å; L88-L169 HydrophobicContact CD2-CB 3.91Å; L88-L169 HydrophobicContact CD2-CD2 4.38Å
89I93.2Very high87.9Confident17 Ų1756.4 Ų56.49%0.08730%0.298CS..EExtended strand (participates in β ladder)trans-135.8131.2165.2-53.2-176.1000107.5L66 N87 V151 T155 F167L66-I89 HydrophobicContact CD1-CD1 4.22Å; L66-I89 HydrophobicContact CD1-CG1 3.91Å; L66-I89 HydrophobicContact CD2-CD1 4.09Å; N87-I89 VanDerWaalsContact C-N 3.29Å; N87-I89 PolarHBondContact O-N 3.21Å; I89-V151 HydrophobicContact CD1-CG1 3.7Å; I89-V151 HydrophobicContact CG1-CG1 4.18Å; I89-T155 HydrophobicContact CB-CG2 4.42Å; I89-T155 HydrophobicContact CD1-CG2 3.94Å; I89-T155 HydrophobicContact CG2-CG2 3.87Å; I89-F167 PolarHBondContact N-O 3.5Å; I89-F167 PolarHBondContact O-N 3.21Å
90K93.1Very high86Confident98 Ų9857.8 Ų57.843%0.42632%0.321SS..  trans-96.3143.2170.5-69.5-165.5171.3-163.60110N87 D166N87-K90 HydrophobicContact CB-CD 4.49Å; N87-K90 HydrophobicContact CB-CG 4.09Å; N87-K90 VanDerWaalsContact CG-CE 3.42Å; K90-D166 WeakPolarHBondContact CA-OD1 2.99Å
91S93.1Very high84.2Confident1 Ų158.4 Ų58.41%0.00732%0.323CS..  trans-64.4162.1171.2610000112.3F93 S94 T95 Q162 A163 D166S91-F93 VanDerWaalsContact C-N 3.27Å; S91-F93 PolarHBondContact O-N 2.85Å; S91-S94 PolarHBondContact O-N 3.46Å; S91-S94 WeakPolarHBondContact OG-CB 3.22Å; S91-S94 PolarHBondContact OG-N 3.46Å; S91-S94 VanDerWaalsContact OG-N 3.13Å; S91-S94 PolarHBondContact OG-OG 3.37Å; S91-T95 WeakPolarHBondContact O-CB 3.32Å; S91-T95 PolarHBondContact O-N 3.46Å; S91-T95 PolarHBondContact O-OG1 2.97Å; S91-Q162 CarbonylContact C-O 3.57Å; S91-Q162 VanDerWaalsContact CA-O 3.29Å; S91-Q162 WeakPolarHBondContact CA-O 3.32Å; S91-A163 WeakPolarHBondContact CB-O 3.36Å; S91-D166 VanDerWaalsContact CB-OD1 3.31Å; S91-D166 WeakPolarHBondContact CB-OD1 3.37Å; S91-D166 PolarHBondContact N-OD1 3.36Å; S91-D166 PolarHBondContact OG-OD1 3.49Å
92D91.4Very high82.3Confident43 Ų4360 Ų6023%0.2333%0.334CS..Hα-helixtrans-64.3-36.6173-66.2-19.9000110.8R62 S94 T95 N96 Q162R62-D92 IonicContact CZ-OD1 3.88Å; R62-D92 IonicContact NH2-OD1 3.85Å; R62-D92 PolarHBondContact NH2-OD1 3.37Å; R62-D92 IonicContact NH2-OD2 3.03Å; R62-D92 PolarHBondContact NH2-OD2 2.97Å; D92-S94 PolarHBondContact O-N 2.79Å; D92-T95 PolarHBondContact O-N 3.16Å; D92-N96 VanDerWaalsContact O-CB 3.27Å; D92-N96 WeakPolarHBondContact O-CB 3.48Å; D92-N96 VanDerWaalsContact O-CG 3.3Å; D92-N96 PolarHBondContact O-N 2.96Å; D92-N96 PolarHBondContact O-ND2 3.41Å; D92-N96 VanDerWaalsContact O-ND2 3.09Å; D92-Q162 PolarHBondContact N-O 3.18Å; D92-Q162 WeakPolarHBondContact OD2-CG 3.46Å; D92-Q162 PolarHBondContact OD2-NE2 3.07Å
93F87.3Confident80.4Confident57 Ų5762.6 Ų62.625%0.2536%0.356CS..Hα-helixtrans-55.4-52.2173-179.9-91.5000111.2S91 T95 Q97 H106 P132 A163S91-F93 VanDerWaalsContact C-N 3.27Å; S91-F93 PolarHBondContact O-N 2.85Å; F93-T95 PolarHBondContact O-N 3.35Å; F93-Q97 WeakPolarHBondContact O-CG 3.35Å; F93-H106 AromaticContact CE1-CE1 3.7Å; F93-H106 AromaticContact CE1-ND1 3.74Å; F93-H106 AromaticContact CZ-CE1 3.48Å; F93-H106 VanDerWaalsContact CZ-CE1 3.48Å; F93-H106 WeakPolarHBondContact CZ-CE1 3.4Å; F93-H106 AromaticContact CZ-ND1 3.67Å; F93-P132 HydrophobicContact CD1-CB 4.07Å; F93-P132 HydrophobicContact CD1-CG 3.53Å; F93-P132 HydrophobicContact CD2-CG 4.3Å; F93-P132 HydrophobicContact CE1-CB 4.02Å; F93-P132 HydrophobicContact CE1-CG 3.25Å; F93-P132 HydrophobicContact CE2-CG 4.07Å; F93-P132 HydrophobicContact CG-CG 4.05Å; F93-P132 HydrophobicContact CZ-CG 3.55Å; F93-A163 WeakPolarHBondContact CB-O 3.35Å; F93-A163 PolarHBondContact N-O 2.88Å
94S85.1Confident78.6Confident19 Ų1962.9 Ų62.913%0.13336%0.362CS..Hα-helixtrans-70.3-29-179.7-68.10000113.6S91 D92 D166S91-S94 PolarHBondContact O-N 3.46Å; S91-S94 WeakPolarHBondContact OG-CB 3.22Å; S91-S94 PolarHBondContact OG-N 3.46Å; S91-S94 VanDerWaalsContact OG-N 3.13Å; S91-S94 PolarHBondContact OG-OG 3.37Å; D92-S94 PolarHBondContact O-N 2.79Å; S94-D166 WeakPolarHBondContact CB-OD1 3.47Å; S94-D166 WeakPolarHBondContact CB-OD2 3.49Å; S94-D166 PolarHBondContact OG-OD1 2.89Å; S94-D166 PolarHBondContact OG-OD2 3.42Å
95T85.4Confident76.6Confident58 Ų5864.6 Ų64.636%0.35638%0.375SS..Hα-helixtrans-77.4-37.3179.5-57.90000112.3S91 D92 F93 Q97S91-T95 WeakPolarHBondContact O-CB 3.32Å; S91-T95 PolarHBondContact O-N 3.46Å; S91-T95 PolarHBondContact O-OG1 2.97Å; D92-T95 PolarHBondContact O-N 3.16Å; F93-T95 PolarHBondContact O-N 3.35Å; T95-Q97 VanDerWaalsContact C-N 3.26Å; T95-Q97 PolarHBondContact O-N 3.27Å
96N82.1Confident75.2Confident121 Ų12166.6 Ų66.665%0.64738%0.384SS*.SBendtrans-85.33.8-177.1-67.2-35.9000113.4D92 K98D92-N96 VanDerWaalsContact O-CB 3.27Å; D92-N96 WeakPolarHBondContact O-CB 3.48Å; D92-N96 VanDerWaalsContact O-CG 3.3Å; D92-N96 PolarHBondContact O-N 2.96Å; D92-N96 PolarHBondContact O-ND2 3.41Å; D92-N96 VanDerWaalsContact O-ND2 3.09Å; N96-K98 PolarHBondContact O-N 2.9Å
97Q70.2Confident74.8Confident70 Ų7063.3 Ų63.333%0.32737%0.37SS..  trans-62.4111.6176.2-61.3-173.9-8.100109.8F93 T95 H106F93-Q97 WeakPolarHBondContact O-CG 3.35Å; T95-Q97 VanDerWaalsContact C-N 3.26Å; T95-Q97 PolarHBondContact O-N 3.27Å; Q97-H106 PolarHBondContact NE2-CE1 2.64Å
98K60Low74.9Confident165 Ų16560.5 Ų60.572%0.71736%0.355SS*.  trans-78.6137.5167-67-177-178.5177.60108.4N96 G100 A101N96-K98 PolarHBondContact O-N 2.9Å; K98-G100 PolarHBondContact O-N 2.84Å; K98-G100 VanDerWaalsContact O-N 3.09Å; K98-A101 HydrophobicContact CB-CB 4.49Å; K98-A101 WeakPolarHBondContact O-CB 3.42Å; K98-A101 PolarHBondContact O-N 2.89Å; K98-A101 VanDerWaalsContact O-N 3.08Å
99P56.6Low75Confident140 Ų14060.3 Ų60.391%0.90935%0.354SS*.THydrogen-bonded Turntrans-54.1118.6167.4-20.430.8000109.3
100G52.8Low75.2Confident86 Ų8659.5 Ų59.589%0.88735%0.35SS*.THydrogen-bonded Turntrans8914.1-178.500000116.6K98K98-G100 PolarHBondContact O-N 2.84Å; K98-G100 VanDerWaalsContact O-N 3.09Å
101A56.1Low75.5Confident47 Ų4754.9 Ų54.939%0.38833%0.33SS..  trans-64.3157.8168.700000112.2K98 A103K98-A101 HydrophobicContact CB-CB 4.49Å; K98-A101 WeakPolarHBondContact O-CB 3.42Å; K98-A101 PolarHBondContact O-N 2.89Å; K98-A101 VanDerWaalsContact O-N 3.08Å; A101-A103 PolarHBondContact O-N 3.31Å
102D53Low75.7Confident119 Ų11954.8 Ų54.864%0.63633%0.33SS*.  trans-47.5120.4-173.9-172.418.4000112.1S104 H106D102-S104 VanDerWaalsContact CG-OG 3.3Å; D102-S104 PolarHBondContact O-N 3.05Å; D102-S104 VanDerWaalsContact O-N 3.08Å; D102-S104 PolarHBondContact OD2-OG 3.36Å; D102-H106 PolarHBondContact O-CD2 3.05Å
103A56.5Low76.1Confident56 Ų5652.9 Ų52.946%0.46332%0.319SS..G310 helixtrans-62.2-22.9-171.100000112.4A101 S105 H106 F107A101-A103 PolarHBondContact O-N 3.31Å; A103-S105 PolarHBondContact O-N 3.33Å; A103-H106 PolarHBondContact O-N 3.32Å; A103-F107 VanDerWaalsContact C-CE2 3.46Å; A103-F107 HydrophobicContact CB-CE2 3.81Å; A103-F107 HydrophobicContact CB-CZ 4.37Å; A103-F107 WeakPolarHBondContact O-CD2 3.45Å; A103-F107 WeakPolarHBondContact O-CE2 3.49Å
104S58.5Low76.5Confident37 Ų3750.2 Ų50.226%0.25931%0.308SS..G310 helixtrans-56.8-41.5-173690000114.1D102 H106 L256D102-S104 VanDerWaalsContact CG-OG 3.3Å; D102-S104 PolarHBondContact O-N 3.05Å; D102-S104 VanDerWaalsContact O-N 3.08Å; D102-S104 PolarHBondContact OD2-OG 3.36Å; S104-H106 PolarHBondContact O-N 3.16Å; S104-L256 WeakPolarHBondContact O-CD2 3.31Å
105S57.4Low76.9Confident45 Ų4549.6 Ų49.632%0.31530%0.303SS..G310 helixtrans-77.1-6.2178.754.80000114.5A103A103-S105 PolarHBondContact O-N 3.33Å
106H66.8Low77.2Confident43 Ų4347.1 Ų47.120%0.19929%0.288CS..G310 helixtrans-109.18.1-176.2-58.3-65.9000112.8F93 Q97 D102 A103 S104 A235 N236F93-H106 AromaticContact CE1-CE1 3.7Å; F93-H106 AromaticContact CE1-ND1 3.74Å; F93-H106 AromaticContact CZ-CE1 3.48Å; F93-H106 VanDerWaalsContact CZ-CE1 3.48Å; F93-H106 WeakPolarHBondContact CZ-CE1 3.4Å; F93-H106 AromaticContact CZ-ND1 3.67Å; Q97-H106 PolarHBondContact NE2-CE1 2.64Å; D102-H106 PolarHBondContact O-CD2 3.05Å; A103-H106 PolarHBondContact O-N 3.32Å; S104-H106 PolarHBondContact O-N 3.16Å; H106-A235 WeakPolarHBondContact O-CA 3.45Å; H106-A235 WeakPolarHBondContact O-CB 3.34Å; H106-N236 PolarHBondContact O-N 3.38Å
107F85.3Confident77.5Confident41 Ų4141.7 Ų41.718%0.1826%0.259CS..SBendtrans-77.1-38.3-175.4-87.8-86.2000113.8A103 N236 Y237 L256 V259A103-F107 VanDerWaalsContact C-CE2 3.46Å; A103-F107 HydrophobicContact CB-CE2 3.81Å; A103-F107 HydrophobicContact CB-CZ 4.37Å; A103-F107 WeakPolarHBondContact O-CD2 3.45Å; A103-F107 WeakPolarHBondContact O-CE2 3.49Å; F107-N236 HydrophobicContact CD1-CB 4.46Å; F107-Y237 HydrophobicContact CD1-CD2 4.48Å; F107-Y237 WeakPolarHBondContact O-CA 3.49Å; F107-Y237 VanDerWaalsContact O-CB 3.31Å; F107-Y237 WeakPolarHBondContact O-CB 3.32Å; F107-Y237 PolarHBondContact O-N 2.94Å; F107-L256 HydrophobicContact CB-CD1 3.83Å; F107-L256 HydrophobicContact CD2-CD1 3.61Å; F107-L256 HydrophobicContact CE2-CD1 4.39Å; F107-L256 HydrophobicContact CG-CD1 3.83Å; F107-V259 HydrophobicContact CD1-CG2 4.16Å
108L94.8Very high78.7Confident2 Ų239.2 Ų39.21%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-132123-176.5179.558.4000111.5W129 Y237 L239 H252 F255 I347L108-W129 HydrophobicContact CD2-CH2 3.81Å; L108-W129 HydrophobicContact CG-CH2 3.86Å; L108-W129 HydrophobicContact CG-CZ2 4.27Å; L108-Y237 WeakPolarHBondContact CA-O 3.36Å; L108-Y237 WeakPolarHBondContact CD1-O 3.29Å; L108-L239 HydrophobicContact CD1-CB 4.4Å; L108-H252 PolarHBondContact O-CD2 3.1Å; L108-H252 PolarHBondContact O-NE2 2.97Å; L108-H252 VanDerWaalsContact O-NE2 3.1Å; L108-F255 HydrophobicContact CB-CD1 4.12Å; L108-F255 HydrophobicContact CD2-CB 3.72Å; L108-F255 HydrophobicContact CD2-CD1 3.66Å; L108-F255 HydrophobicContact CD2-CG 3.8Å; L108-F255 HydrophobicContact CG-CD1 4.32Å; L108-I347 HydrophobicContact CD1-CG1 4.37Å; L108-I347 HydrophobicContact CD1-CG2 3.64Å; L108-I347 HydrophobicContact CD2-CD1 4.05Å
109A95.9Very high80.3Confident1 Ų131.4 Ų31.41%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-114.8152.9168.800000111.2T233 A235 Y237 I238 L239A109-T233 HydrophobicContact CB-CG2 3.91Å; A109-T233 VanDerWaalsContact CB-OG1 3.29Å; A109-T233 WeakPolarHBondContact CB-OG1 3.27Å; A109-A235 HydrophobicContact CB-CB 3.49Å; A109-A235 VanDerWaalsContact CB-CB 3.49Å; A109-Y237 PolarHBondContact N-O 3.47Å; A109-I238 WeakPolarHBondContact O-CA 3.21Å; A109-L239 PolarHBondContact O-N 2.83Å
110L98.1Very high82.1Confident0 Ų025.1 Ų25.10%017%0.172CC..EExtended strand (participates in β ladder)trans-94.7133168.3-173.760.7000109.1L125 W129 P132 L133 S134 L239 I241L110-L125 HydrophobicContact CD2-CD1 3.82Å; L110-L125 HydrophobicContact CD2-CD2 4.13Å; L110-L125 HydrophobicContact CD2-CG 4.11Å; L110-W129 HydrophobicContact CB-CD2 3.91Å; L110-W129 VanDerWaalsContact CB-CE2 3.45Å; L110-W129 HydrophobicContact CB-CG 4.17Å; L110-W129 HydrophobicContact CB-CZ2 3.85Å; L110-W129 HydrophobicContact CD2-CB 4.15Å; L110-W129 HydrophobicContact CD2-CD2 3.93Å; L110-W129 HydrophobicContact CD2-CE3 4.41Å; L110-W129 HydrophobicContact CD2-CG 3.77Å; L110-P132 PolarHBondContact N-O 2.99Å; L110-L133 HydrophobicContact CB-CD1 3.79Å; L110-L133 HydrophobicContact CD2-CD1 3.84Å; L110-L133 HydrophobicContact CG-CD1 3.67Å; L110-L133 CarbonylContact O-C 3.56Å; L110-L133 WeakPolarHBondContact O-CA 3.31Å; L110-L133 WeakPolarHBondContact O-CD1 3.44Å; L110-S134 PolarHBondContact O-N 2.91Å; L110-L239 HydrophobicContact CD1-CB 3.8Å; L110-L239 HydrophobicContact CD1-CD2 3.8Å; L110-L239 HydrophobicContact CD1-CG 3.61Å; L110-L239 WeakPolarHBondContact CD1-O 3.22Å; L110-I241 HydrophobicContact CD1-CD1 3.8Å; L110-I241 HydrophobicContact CD1-CG1 3.72Å; L110-I241 HydrophobicContact CD1-CG2 4.41Å; L110-I241 HydrophobicContact CD2-CD1 3.97Å; L110-I241 HydrophobicContact CD2-CG1 4.42Å; L110-I241 HydrophobicContact CG-CD1 4.41Å; L110-I241 HydrophobicContact CG-CG1 4.4Å
111A98.5Very high84.2Confident1 Ų122.6 Ų22.61%0.00814%0.138CC..EExtended strand (participates in β ladder)trans-117.8132.3172.500000108.9S134 A229 R230 I238 L239 V240 I241A111-S134 WeakPolarHBondContact CA-O 3.38Å; A111-A229 HydrophobicContact CB-CB 3.96Å; A111-R230 HydrophobicContact CB-CG 4.15Å; A111-I238 HydrophobicContact CB-CG2 3.73Å; A111-L239 PolarHBondContact N-O 2.68Å; A111-V240 HydrophobicContact CB-CG2 4.32Å; A111-V240 WeakPolarHBondContact O-CA 3.18Å; A111-I241 PolarHBondContact O-N 3.49Å; A111-I241 VanDerWaalsContact O-N 3.16Å
112T98.7Very high86.1Confident0 Ų020.4 Ų20.40%012%0.119CC..EExtended strand (participates in β ladder)trans-142.1166.9177.1-166.40000111L125 L133 S134 V135 A136 A229 I241 I243T112-L125 HydrophobicContact CG2-CD2 4.14Å; T112-L133 HydrophobicContact CG2-CD1 3.92Å; T112-S134 PolarHBondContact N-O 3.5Å; T112-V135 HydrophobicContact CG2-CB 4.36Å; T112-V135 HydrophobicContact CG2-CG1 4.22Å; T112-V135 HydrophobicContact CG2-CG2 3.86Å; T112-V135 WeakPolarHBondContact O-CA 3.35Å; T112-A136 PolarHBondContact O-N 3.39Å; T112-A229 VanDerWaalsContact O-CB 3.3Å; T112-A229 WeakPolarHBondContact O-CB 3.36Å; T112-I241 WeakPolarHBondContact CA-O 2.94Å; T112-I241 VanDerWaalsContact CB-O 3.29Å; T112-I241 WeakPolarHBondContact CB-O 3.36Å; T112-I241 PolarHBondContact OG1-O 2.88Å; T112-I243 HydrophobicContact CG2-CD1 3.5Å; T112-I243 WeakPolarHBondContact OG1-CA 3.46Å; T112-I243 PolarHBondContact OG1-N 2.63Å
113H98.1Very high88.2Confident3 Ų317.2 Ų17.21%0.01410%0.102CC..EExtended strand (participates in β ladder)trans-138.8150.2178.361.489.9000110.7A136 Y220 L225 R226 D242H113-A136 CarbonylContact C-O 3.58Å; H113-A136 WeakPolarHBondContact CA-O 3.14Å; H113-A136 HydrophobicContact CB-CB 4.34Å; H113-Y220 AromaticContact CE1-CE1 3.77Å; H113-Y220 AromaticContact ND1-CE1 3.45Å; H113-Y220 WeakPolarHBondContact ND1-CE1 3.44Å; H113-Y220 AromaticContact ND1-CZ 3.54Å; H113-Y220 PolarHBondContact ND1-OH 3.24Å; H113-L225 HydrophobicContact CB-CB 3.43Å; H113-L225 VanDerWaalsContact CB-CB 3.43Å; H113-L225 HydrophobicContact CB-CD1 4.22Å; H113-L225 HydrophobicContact CB-CG 4.39Å; H113-R226 VanDerWaalsContact CD2-CG 3.41Å; H113-R226 WeakPolarHBondContact CD2-CG 3.37Å; H113-R226 PolarHBondContact NE2-NE 2.76Å; H113-D242 IonicContact NE2-OD1 3.36Å
114T96.7Very high90Very high1 Ų116.3 Ų16.31%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-154.1160.9-176-167.30000111.8N118 L119 V135 A136 I137 F138 Y220T114-N118 VanDerWaalsContact OG1-CB 3.29Å; T114-N118 WeakPolarHBondContact OG1-CB 3.31Å; T114-L119 HydrophobicContact CG2-CB 4.3Å; T114-L119 HydrophobicContact CG2-CD1 3.87Å; T114-V135 HydrophobicContact CG2-CG1 4.06Å; T114-A136 PolarHBondContact N-O 2.97Å; T114-I137 HydrophobicContact CG2-CG1 3.93Å; T114-I137 CarbonylContact O-C 3.53Å; T114-I137 WeakPolarHBondContact O-CA 3.5Å; T114-F138 PolarHBondContact O-N 3.3Å; T114-Y220 VanDerWaalsContact C-OH 3.28Å; T114-Y220 VanDerWaalsContact CA-OH 3.22Å; T114-Y220 WeakPolarHBondContact CA-OH 3.5Å; T114-Y220 PolarHBondContact N-OH 3.26Å
115S93.8Very high91.9Very high6 Ų614.7 Ų14.74%0.0428%0.081CC..EExtended strand (participates in β ladder)trans-97.3163159.150.70000109N117 N118 L119S115-N117 WeakPolarHBondContact CB-OD1 3.33Å; S115-N117 PolarHBondContact O-N 2.72Å; S115-N117 PolarHBondContact OG-OD1 3.35Å; S115-N118 PolarHBondContact O-N 2.85Å; S115-N118 PolarHBondContact OG-ND2 3.13Å; S115-L119 PolarHBondContact O-N 3.22Å
116I90.9Very high93.8Very high5 Ų512.7 Ų12.73%0.0267%0.067CC..G310 helixtrans-57.8-36.4-177-67.3-63.3000113.2N118 L119 I137 D143 F146 A147 L150I116-N118 PolarHBondContact O-N 3.47Å; I116-L119 HydrophobicContact CD1-CD2 4.01Å; I116-L119 WeakPolarHBondContact O-CB 3.36Å; I116-L119 PolarHBondContact O-N 2.87Å; I116-L119 VanDerWaalsContact O-N 3.16Å; I116-I137 HydrophobicContact CD1-CG2 3.55Å; I116-I137 HydrophobicContact CG1-CG2 4.1Å; I116-D143 HydrophobicContact CG1-CB 4.48Å; I116-F146 HydrophobicContact CG2-CD1 3.76Å; I116-F146 HydrophobicContact CG2-CE1 3.83Å; I116-A147 HydrophobicContact CD1-CB 3.48Å; I116-A147 VanDerWaalsContact CD1-CB 3.48Å; I116-A147 HydrophobicContact CG1-CB 3.88Å; I116-L150 HydrophobicContact CG2-CD1 4.28Å
117N89.9Confident95.1Very high7 Ų715.2 Ų15.24%0.0378%0.079CC..G310 helixtrans-65.2-19.8178.467.5-59.3000113.7S115 H120 H203 R204 Y207 N209S115-N117 WeakPolarHBondContact CB-OD1 3.33Å; S115-N117 PolarHBondContact O-N 2.72Å; S115-N117 PolarHBondContact OG-OD1 3.35Å; N117-H120 PolarHBondContact O-CE1 2.94Å; N117-H120 PolarHBondContact O-ND1 2.98Å; N117-H203 VanDerWaalsContact CB-O 3.25Å; N117-H203 WeakPolarHBondContact CB-O 3.47Å; N117-R204 WeakPolarHBondContact CB-O 3.31Å; N117-R204 WeakPolarHBondContact O-CA 3.3Å; N117-Y207 PolarHBondContact ND2-O 2.78Å; N117-N209 PolarHBondContact ND2-OD1 3.2Å
118N93.4Very high95.7Very high19 Ų1916.3 Ų16.310%0.1028%0.081CC..G310 helixtrans-1052.3176.5-69.1-60.4000113.5T114 S115 I116 H120 H121 N209 I243T114-N118 VanDerWaalsContact OG1-CB 3.29Å; T114-N118 WeakPolarHBondContact OG1-CB 3.31Å; S115-N118 PolarHBondContact O-N 2.85Å; S115-N118 PolarHBondContact OG-ND2 3.13Å; I116-N118 PolarHBondContact O-N 3.47Å; N118-H120 PolarHBondContact O-N 3.33Å; N118-H121 PolarHBondContact O-N 2.94Å; N118-N209 PolarHBondContact ND2-OD1 2.82Å; N118-N209 PolarHBondContact OD1-OD1 3.42Å; N118-N209 VanDerWaalsContact OD1-OD1 3.09Å; N118-I243 HydrophobicContact CB-CG2 3.95Å
119L94.9Very high95.7Very high0 Ų016.6 Ų16.60%08%0.083CC..G310 helixtrans-69.1-19.3-176.7-17861.2000112.7T114 S115 I116 H121 L122 I137 L154 L200T114-L119 HydrophobicContact CG2-CB 4.3Å; T114-L119 HydrophobicContact CG2-CD1 3.87Å; S115-L119 PolarHBondContact O-N 3.22Å; I116-L119 HydrophobicContact CD1-CD2 4.01Å; I116-L119 WeakPolarHBondContact O-CB 3.36Å; I116-L119 PolarHBondContact O-N 2.87Å; I116-L119 VanDerWaalsContact O-N 3.16Å; L119-H121 PolarHBondContact O-N 3.2Å; L119-L122 HydrophobicContact CD1-CB 4.18Å; L119-L122 HydrophobicContact CD1-CD2 3.91Å; L119-L122 WeakPolarHBondContact O-CB 3.49Å; L119-L122 PolarHBondContact O-N 2.9Å; L119-L122 VanDerWaalsContact O-N 3.07Å; L119-I137 HydrophobicContact CD1-CD1 4.23Å; L119-I137 HydrophobicContact CD2-CD1 4.06Å; L119-L154 HydrophobicContact CD2-CD1 4.14Å; L119-L154 HydrophobicContact CG-CD1 4.47Å; L119-L200 HydrophobicContact CB-CD2 4.04Å; L119-L200 HydrophobicContact CD2-CD2 3.88Å; L119-L200 HydrophobicContact CG-CD1 4.24Å; L119-L200 HydrophobicContact CG-CD2 4.06Å
120H94.6Very high95.7Very high9 Ų922.5 Ų22.54%0.04211%0.11CC..G310 helixtrans-59-29.3174.164.1-84.4000112.9N117 N118 L122 N123 L200 E201N117-H120 PolarHBondContact O-CE1 2.94Å; N117-H120 PolarHBondContact O-ND1 2.98Å; N118-H120 PolarHBondContact O-N 3.33Å; H120-L122 PolarHBondContact O-N 2.86Å; H120-L122 VanDerWaalsContact O-N 3.16Å; H120-N123 PolarHBondContact O-N 3.46Å; H120-L200 HydrophobicContact CB-CB 3.99Å; H120-E201 HydrophobicContact CB-CG 4.11Å; H120-E201 WeakPolarHBondContact CB-OE1 3.16Å; H120-E201 VanDerWaalsContact CD2-CD 3.49Å; H120-E201 IonicContact CD2-OE1 3.74Å; H120-E201 PolarHBondContact CD2-OE1 2.9Å; H120-E201 IonicContact CD2-OE2 3.36Å; H120-E201 IonicContact CG-OE1 3.97Å; H120-E201 IonicContact CG-OE2 2.84Å; H120-E201 IonicContact NE2-OE2 2.67Å
121H95.6Very high95.5Very high33 Ų3323.6 Ų23.615%0.15312%0.116CC..G310 helixtrans-63.1-20.7176.1-67.7-42.6000114N118 L119 N123 S124 L125 I243N118-H121 PolarHBondContact O-N 2.94Å; L119-H121 PolarHBondContact O-N 3.2Å; H121-N123 PolarHBondContact O-N 2.91Å; H121-S124 PolarHBondContact O-N 3.32Å; H121-S124 PolarHBondContact O-OG 2.89Å; H121-L125 PolarHBondContact O-N 3.42Å; H121-I243 HydrophobicContact CB-CG1 4Å; H121-I243 HydrophobicContact CB-CG2 4.47Å; H121-I243 WeakPolarHBondContact CB-O 3.46Å
122L97.5Very high95.3Very high0 Ų024.1 Ų24.10%012%0.119CC..Hα-helixtrans-55.3-35.2-179.1-177.762.8000112.5L119 H120 S124 L125 V126 L133 V135 L154 I161 F167 F197 I243L119-L122 HydrophobicContact CD1-CB 4.18Å; L119-L122 HydrophobicContact CD1-CD2 3.91Å; L119-L122 WeakPolarHBondContact O-CB 3.49Å; L119-L122 PolarHBondContact O-N 2.9Å; L119-L122 VanDerWaalsContact O-N 3.07Å; H120-L122 PolarHBondContact O-N 2.86Å; H120-L122 VanDerWaalsContact O-N 3.16Å; L122-S124 PolarHBondContact O-N 3.34Å; L122-L125 PolarHBondContact O-N 3.28Å; L122-V126 HydrophobicContact CD1-CG2 3.77Å; L122-V126 HydrophobicContact CG-CG2 4.06Å; L122-V126 WeakPolarHBondContact O-CG2 3.3Å; L122-V126 PolarHBondContact O-N 3.38Å; L122-L133 HydrophobicContact CD1-CD2 3.55Å; L122-V135 HydrophobicContact CD1-CG2 3.98Å; L122-L154 HydrophobicContact CD2-CD1 4.4Å; L122-I161 HydrophobicContact CD2-CD1 4.14Å; L122-F167 HydrophobicContact CD2-CE1 3.82Å; L122-F167 HydrophobicContact CD2-CZ 3.71Å; L122-F197 HydrophobicContact CB-CE1 4.32Å; L122-F197 HydrophobicContact CB-CZ 4.45Å; L122-I243 HydrophobicContact CB-CD1 4.48Å; L122-I243 HydrophobicContact CD1-CD1 4.29Å
123N95.9Very high95.2Very high52 Ų5224.3 Ų24.328%0.27812%0.12SC..Hα-helixtrans-56.6-56.9-179.8-168.450.5000110.9H120 H121 L125 V126 E127 F197H120-N123 PolarHBondContact O-N 3.46Å; H121-N123 PolarHBondContact O-N 2.91Å; N123-L125 PolarHBondContact O-N 3.17Å; N123-V126 PolarHBondContact O-N 3.21Å; N123-E127 PolarHBondContact ND2-OE1 3.38Å; N123-E127 WeakPolarHBondContact O-CG 3.37Å; N123-E127 PolarHBondContact O-N 2.72Å; N123-F197 HydrophobicContact CB-CD1 3.86Å; N123-F197 HydrophobicContact CB-CD2 4.01Å; N123-F197 HydrophobicContact CB-CE1 3.55Å; N123-F197 HydrophobicContact CB-CE2 3.67Å; N123-F197 HydrophobicContact CB-CG 4.1Å; N123-F197 HydrophobicContact CB-CZ 3.44Å; N123-F197 VanDerWaalsContact CB-CZ 3.44Å; N123-F197 WeakPolarHBondContact OD1-CE2 3.35Å
124S95.1Very high95.2Very high37 Ų3724.3 Ų24.326%0.25912%0.12SC..Hα-helixtrans-65.2-27.6-17964.50000113.3H121 L122 R128 K391H121-S124 PolarHBondContact O-N 3.32Å; H121-S124 PolarHBondContact O-OG 2.89Å; L122-S124 PolarHBondContact O-N 3.34Å; S124-R128 WeakPolarHBondContact O-CB 3.19Å; S124-R128 PolarHBondContact O-N 2.92Å; S124-R128 VanDerWaalsContact O-N 3.12Å; S124-K391 PolarHBondContact OG-NZ 2.94Å
125L97.5Very high95.3Very high3 Ų324.2 Ų24.22%0.01612%0.12CC..Hα-helixtrans-73.3-44.2177.6-176.857.4000111.4L110 T112 H121 L122 N123 R128 W129 L133 I241 I243L110-L125 HydrophobicContact CD2-CD1 3.82Å; L110-L125 HydrophobicContact CD2-CD2 4.13Å; L110-L125 HydrophobicContact CD2-CG 4.11Å; T112-L125 HydrophobicContact CG2-CD2 4.14Å; H121-L125 PolarHBondContact O-N 3.42Å; L122-L125 PolarHBondContact O-N 3.28Å; N123-L125 PolarHBondContact O-N 3.17Å; L125-R128 PolarHBondContact O-N 3.46Å; L125-W129 WeakPolarHBondContact O-CB 3.28Å; L125-W129 PolarHBondContact O-N 2.99Å; L125-L133 HydrophobicContact CD2-CD1 4.39Å; L125-L133 HydrophobicContact CD2-CD2 4.17Å; L125-L133 HydrophobicContact CG-CD2 4.33Å; L125-I241 HydrophobicContact CD1-CD1 4.02Å; L125-I243 HydrophobicContact CD2-CD1 3.9Å
126V96.9Very high95.6Very high3 Ų324 Ų242%0.01812%0.118CC..Hα-helixtrans-64.7-43.1176.7172.80000110.6L122 N123 R128 W129 Q130 L133 Q160 I161 V165L122-V126 HydrophobicContact CD1-CG2 3.77Å; L122-V126 HydrophobicContact CG-CG2 4.06Å; L122-V126 WeakPolarHBondContact O-CG2 3.3Å; L122-V126 PolarHBondContact O-N 3.38Å; N123-V126 PolarHBondContact O-N 3.21Å; V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 3.48Å; V126-W129 PolarHBondContact O-N 3.11Å; V126-Q130 PolarHBondContact O-N 2.85Å; V126-L133 HydrophobicContact CG2-CD2 3.81Å; V126-Q160 HydrophobicContact CG1-CB 3.76Å; V126-I161 HydrophobicContact CG2-CG1 4.45Å; V126-V165 HydrophobicContact CG2-CG2 3.71Å
127E95.7Very high95.9Very high97 Ų9723.8 Ų23.845%0.45312%0.117SC..Hα-helixtrans-58.3-37.7174.3-74.2171.7-17900112.5N123 Q130N123-E127 PolarHBondContact ND2-OE1 3.38Å; N123-E127 WeakPolarHBondContact O-CG 3.37Å; N123-E127 PolarHBondContact O-N 2.72Å; E127-Q130 VanDerWaalsContact O-CG 3.3Å; E127-Q130 WeakPolarHBondContact O-CG 3.36Å; E127-Q130 PolarHBondContact O-NE2 3.05Å
128R96.5Very high96.2Very high63 Ų6323.5 Ų23.524%0.23812%0.116CC..Hα-helixtrans-77-40.3177.81755974.3-162.98.3112.9S124 L125 V126 A246 P247 M283S124-R128 WeakPolarHBondContact O-CB 3.19Å; S124-R128 PolarHBondContact O-N 2.92Å; S124-R128 VanDerWaalsContact O-N 3.12Å; L125-R128 PolarHBondContact O-N 3.46Å; V126-R128 VanDerWaalsContact C-N 3.27Å; V126-R128 PolarHBondContact O-N 3.48Å; R128-A246 HydrophobicContact CG-CB 4.44Å; R128-P247 VanDerWaalsContact CD-O 3.29Å; R128-P247 WeakPolarHBondContact CD-O 3.37Å; R128-P247 HydrophobicContact CG-CG 4.12Å; R128-P247 WeakPolarHBondContact CG-O 3.44Å; R128-M283 PolarHBondContact NH2-O 3Å
129W96.2Very high96.2Very high9 Ų922.7 Ų22.73%0.03411%0.112CC..Hα-helixtrans-86.8-42.2-169.5179.8-120.9000113.4L108 L110 L125 V126 N131 P132 P247 L251 H252L108-W129 HydrophobicContact CD2-CH2 3.81Å; L108-W129 HydrophobicContact CG-CH2 3.86Å; L108-W129 HydrophobicContact CG-CZ2 4.27Å; L110-W129 HydrophobicContact CB-CD2 3.91Å; L110-W129 VanDerWaalsContact CB-CE2 3.45Å; L110-W129 HydrophobicContact CB-CG 4.17Å; L110-W129 HydrophobicContact CB-CZ2 3.85Å; L110-W129 HydrophobicContact CD2-CB 4.15Å; L110-W129 HydrophobicContact CD2-CD2 3.93Å; L110-W129 HydrophobicContact CD2-CE3 4.41Å; L110-W129 HydrophobicContact CD2-CG 3.77Å; L125-W129 WeakPolarHBondContact O-CB 3.28Å; L125-W129 PolarHBondContact O-N 2.99Å; V126-W129 PolarHBondContact O-N 3.11Å; W129-N131 HydrophobicContact CD2-CB 4.24Å; W129-N131 HydrophobicContact CG-CB 4.41Å; W129-N131 HydrophobicContact CZ2-CB 4.04Å; W129-N131 VanDerWaalsContact NE1-C 3.35Å; W129-N131 PolarHBondContact NE1-O 3.48Å; W129-N131 PolarHBondContact O-N 3.3Å; W129-N131 PolarHBondContact O-ND2 3.27Å; W129-P132 PolarHBondContact NE1-O 3.48Å; W129-P247 HydrophobicContact CE3-CG 4.1Å; W129-L251 HydrophobicContact CZ3-CB 4.26Å; W129-L251 HydrophobicContact CZ3-CD2 4.39Å; W129-L251 HydrophobicContact CZ3-CG 4.42Å; W129-H252 HydrophobicContact CH2-CB 3.7Å; W129-H252 AromaticContact CH2-CD2 3.99Å; W129-H252 HydrophobicContact CZ2-CB 4.17Å; W129-H252 AromaticContact CZ2-CD2 3.83Å; W129-H252 HydrophobicContact CZ3-CB 3.98Å
130Q95.1Very high96Very high124 Ų12425.1 Ų25.158%0.57912%0.123SC*.  trans49.825.1176.8-54.9-175.917.800115.9V126 E127V126-Q130 PolarHBondContact O-N 2.85Å; E127-Q130 VanDerWaalsContact O-CG 3.3Å; E127-Q130 WeakPolarHBondContact O-CG 3.36Å; E127-Q130 PolarHBondContact O-NE2 3.05Å
131N94.9Very high95.6Very high24 Ų2426.3 Ų26.313%0.12814%0.137CC..SBendtrans-141.7176-177.1-77.1-78.4000109.6W129 L133 H252 Q253W129-N131 HydrophobicContact CD2-CB 4.24Å; W129-N131 HydrophobicContact CG-CB 4.41Å; W129-N131 HydrophobicContact CZ2-CB 4.04Å; W129-N131 VanDerWaalsContact NE1-C 3.35Å; W129-N131 PolarHBondContact NE1-O 3.48Å; W129-N131 PolarHBondContact O-N 3.3Å; W129-N131 PolarHBondContact O-ND2 3.27Å; N131-L133 PolarHBondContact O-N 3Å; N131-H252 HydrophobicContact CB-CB 4.24Å; N131-H252 VanDerWaalsContact ND2-CB 3.33Å; N131-H252 WeakPolarHBondContact ND2-CB 3.49Å; N131-H252 PolarHBondContact OD1-CE1 2.75Å; N131-H252 PolarHBondContact OD1-ND1 3.07Å; N131-Q253 PolarHBondContact ND2-NE2 2.87Å
132P93.6Very high95Very high12 Ų1231.7 Ų31.78%0.07816%0.163CC..  trans-55130.2-177.5-28.137000113.1F93 L110 W129F93-P132 HydrophobicContact CD1-CB 4.07Å; F93-P132 HydrophobicContact CD1-CG 3.53Å; F93-P132 HydrophobicContact CD2-CG 4.3Å; F93-P132 HydrophobicContact CE1-CB 4.02Å; F93-P132 HydrophobicContact CE1-CG 3.25Å; F93-P132 HydrophobicContact CE2-CG 4.07Å; F93-P132 HydrophobicContact CG-CG 4.05Å; F93-P132 HydrophobicContact CZ-CG 3.55Å; L110-P132 PolarHBondContact N-O 2.99Å; W129-P132 PolarHBondContact NE1-O 3.48Å
133L96.9Very high94.5Very high4 Ų432.2 Ų32.22%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-132.3123.3-175.6173.159.1000110.1L110 T112 L122 L125 V126 N131 V135 L164 V165 D166L110-L133 HydrophobicContact CB-CD1 3.79Å; L110-L133 HydrophobicContact CD2-CD1 3.84Å; L110-L133 HydrophobicContact CG-CD1 3.67Å; L110-L133 CarbonylContact O-C 3.56Å; L110-L133 WeakPolarHBondContact O-CA 3.31Å; L110-L133 WeakPolarHBondContact O-CD1 3.44Å; T112-L133 HydrophobicContact CG2-CD1 3.92Å; L122-L133 HydrophobicContact CD1-CD2 3.55Å; L125-L133 HydrophobicContact CD2-CD1 4.39Å; L125-L133 HydrophobicContact CD2-CD2 4.17Å; L125-L133 HydrophobicContact CG-CD2 4.33Å; V126-L133 HydrophobicContact CG2-CD2 3.81Å; N131-L133 PolarHBondContact O-N 3Å; L133-V135 HydrophobicContact CD1-CG2 4.32Å; L133-V135 HydrophobicContact CD2-CG2 4.13Å; L133-V135 HydrophobicContact CG-CG2 3.83Å; L133-L164 PolarHBondContact N-O 2.84Å; L133-V165 HydrophobicContact CB-CG2 4.32Å; L133-V165 HydrophobicContact CD2-CG2 4.19Å; L133-V165 CarbonylContact O-C 3.52Å; L133-V165 VanDerWaalsContact O-CA 3.31Å; L133-V165 WeakPolarHBondContact O-CA 3.46Å; L133-D166 PolarHBondContact O-N 2.82Å
134S98.1Very high94.3Very high2 Ų229.9 Ų29.91%0.01415%0.153CC..EExtended strand (participates in β ladder)trans-102.2128.6171.6178.10000110.8L110 A111 T112 H168 A229L110-S134 PolarHBondContact O-N 2.91Å; A111-S134 WeakPolarHBondContact CA-O 3.38Å; T112-S134 PolarHBondContact N-O 3.5Å; S134-H168 PolarHBondContact OG-CD2 3.26Å; S134-H168 VanDerWaalsContact OG-CD2 3.26Å; S134-H168 PolarHBondContact OG-NE2 3.25Å; S134-A229 VanDerWaalsContact CB-O 3.31Å; S134-A229 WeakPolarHBondContact CB-O 3.45Å; S134-A229 WeakPolarHBondContact OG-CA 3.31Å; S134-A229 PolarHBondContact OG-O 3.02Å
135V98.7Very high93.9Very high0 Ų033.2 Ų33.20%016%0.163CC..EExtended strand (participates in β ladder)trans-122.6115.9-175.4-173.80000110.6T112 T114 L122 L133 I137 V165 D166 F167 H168T112-V135 HydrophobicContact CG2-CB 4.36Å; T112-V135 HydrophobicContact CG2-CG1 4.22Å; T112-V135 HydrophobicContact CG2-CG2 3.86Å; T112-V135 WeakPolarHBondContact O-CA 3.35Å; T114-V135 HydrophobicContact CG2-CG1 4.06Å; L122-V135 HydrophobicContact CD1-CG2 3.98Å; L133-V135 HydrophobicContact CD1-CG2 4.32Å; L133-V135 HydrophobicContact CD2-CG2 4.13Å; L133-V135 HydrophobicContact CG-CG2 3.83Å; V135-I137 HydrophobicContact CG1-CG1 4Å; V135-V165 HydrophobicContact CB-CG1 4.39Å; V135-V165 HydrophobicContact CG2-CG1 3.61Å; V135-D166 PolarHBondContact N-O 2.75Å; V135-F167 HydrophobicContact CB-CD1 4.07Å; V135-F167 HydrophobicContact CB-CE1 4.27Å; V135-F167 HydrophobicContact CG1-CD1 4.41Å; V135-F167 HydrophobicContact CG1-CE1 4.45Å; V135-H168 PolarHBondContact O-CD2 2.92Å; V135-H168 PolarHBondContact O-N 3.46Å
136A98.7Very high93.3Very high0 Ų034 Ų340%017%0.166CC..EExtended strand (participates in β ladder)trans-94115.9169.700000111.2T112 H113 T114 H168 L225 V228 A229T112-A136 PolarHBondContact O-N 3.39Å; H113-A136 CarbonylContact C-O 3.58Å; H113-A136 WeakPolarHBondContact CA-O 3.14Å; H113-A136 HydrophobicContact CB-CB 4.34Å; T114-A136 PolarHBondContact N-O 2.97Å; A136-H168 HydrophobicContact CB-CB 4.49Å; A136-L225 HydrophobicContact CB-CB 4.03Å; A136-L225 HydrophobicContact CB-CD2 4.09Å; A136-L225 VanDerWaalsContact CB-O 3.24Å; A136-L225 WeakPolarHBondContact CB-O 3.39Å; A136-V228 HydrophobicContact CB-CB 4.17Å; A136-V228 HydrophobicContact CB-CG1 4.01Å; A136-A229 HydrophobicContact CB-CB 3.9Å
137I97.8Very high93Very high2 Ų233.9 Ų33.91%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-99.9124.7-179.2-59.3170.2000109.3T114 I116 L119 V135 V151 F167 H168 L169 V170T114-I137 HydrophobicContact CG2-CG1 3.93Å; T114-I137 CarbonylContact O-C 3.53Å; T114-I137 WeakPolarHBondContact O-CA 3.5Å; I116-I137 HydrophobicContact CD1-CG2 3.55Å; I116-I137 HydrophobicContact CG1-CG2 4.1Å; L119-I137 HydrophobicContact CD1-CD1 4.23Å; L119-I137 HydrophobicContact CD2-CD1 4.06Å; V135-I137 HydrophobicContact CG1-CG1 4Å; I137-V151 HydrophobicContact CD1-CG2 3.37Å; I137-F167 HydrophobicContact CD1-CD1 3.69Å; I137-F167 HydrophobicContact CD1-CE1 4.11Å; I137-H168 PolarHBondContact N-O 3.12Å; I137-L169 HydrophobicContact CB-CD1 4.42Å; I137-L169 HydrophobicContact CG2-CD1 4.32Å; I137-L169 CarbonylContact O-C 3.6Å; I137-L169 WeakPolarHBondContact O-CA 3.21Å; I137-V170 PolarHBondContact O-N 2.97Å
138F96.7Very high92.8Very high1 Ų129.2 Ų29.20%0.00414%0.144CC..EExtended strand (participates in β ladder)trans-93.5129167.5-175.9-111.8000110.9Y82 T114 V170 I212 V218 Y220 P221 L225Y82-F138 AromaticContact CD1-CE2 3.86Å; Y82-F138 HydrophobicContact CD1-CE2 3.86Å; Y82-F138 AromaticContact CE1-CE2 3.68Å; Y82-F138 HydrophobicContact CE1-CE2 3.68Å; Y82-F138 HydrophobicContact CE1-CZ 4.09Å; T114-F138 PolarHBondContact O-N 3.3Å; F138-V170 WeakPolarHBondContact CA-O 3.15Å; F138-V170 HydrophobicContact CD2-CB 4.27Å; F138-V170 HydrophobicContact CD2-CG1 4.12Å; F138-V170 WeakPolarHBondContact CD2-O 3.32Å; F138-I212 HydrophobicContact CD1-CD1 3.42Å; F138-I212 VanDerWaalsContact CD1-CD1 3.42Å; F138-I212 HydrophobicContact CE1-CD1 3.61Å; F138-I212 HydrophobicContact CE1-CG2 4.35Å; F138-V218 HydrophobicContact CE1-CG1 3.69Å; F138-V218 HydrophobicContact CZ-CG1 3.63Å; F138-Y220 HydrophobicContact CB-CD2 4.05Å; F138-Y220 HydrophobicContact CB-CE2 3.77Å; F138-Y220 AromaticContact CD1-CD2 3.7Å; F138-Y220 HydrophobicContact CD1-CD2 3.7Å; F138-Y220 HydrophobicContact CD1-CE2 4.25Å; F138-Y220 HydrophobicContact CG-CD2 4.15Å; F138-Y220 HydrophobicContact CG-CE2 4.38Å; F138-P221 HydrophobicContact CD2-CG 3.77Å; F138-P221 HydrophobicContact CE2-CG 3.89Å; F138-P221 HydrophobicContact CG-CG 4.3Å; F138-P221 HydrophobicContact CZ-CG 4.49Å; F138-L225 HydrophobicContact CB-CD1 3.73Å; F138-L225 HydrophobicContact CB-CD2 3.87Å; F138-L225 HydrophobicContact CB-CG 4.4Å
139A93.4Very high92.5Very high2 Ų226.4 Ų26.42%0.01713%0.134CC..  trans-133.6146.5177.200000111.2D143 V144 A147 L169 V170 C171A139-D143 HydrophobicContact CB-CB 4.21Å; A139-V144 HydrophobicContact CB-CB 4.48Å; A139-V144 HydrophobicContact CB-CG2 4.06Å; A139-A147 HydrophobicContact CB-CB 3.99Å; A139-L169 HydrophobicContact CB-CD1 3.88Å; A139-V170 PolarHBondContact N-O 3.21Å; A139-C171 WeakPolarHBondContact O-CA 3.14Å; A139-C171 WeakPolarHBondContact O-CB 3.41Å
140H90.4Very high92.2Very high51 Ų5126 Ų2624%0.23613%0.132CC..  trans-138.9155.9180-178.862000111.7Q142 D143 H172 Q175 I212H140-Q142 PolarHBondContact O-N 3.29Å; H140-D143 VanDerWaalsContact O-CB 3.31Å; H140-D143 WeakPolarHBondContact O-CB 3.36Å; H140-D143 PolarHBondContact O-N 2.95Å; H140-H172 AromaticContact ND1-CD2 3.47Å; H140-H172 PolarHBondContact ND1-CD2 3.48Å; H140-Q175 PolarHBondContact ND1-OE1 3.27Å; H140-I212 HydrophobicContact CB-CG2 3.8Å
141G87.6Confident92Very high34 Ų3420.2 Ų20.235%0.35111%0.105SC..THydrogen-bonded Turntrans51.7-126.5-177.800000112.7D143 V144 Q175G141-D143 PolarHBondContact O-N 3.48Å; G141-V144 PolarHBondContact O-N 3.3Å; G141-Q175 PolarHBondContact O-NE2 2.9Å
142Q82Confident91.9Very high146 Ų14620.2 Ų20.268%0.68210%0.104SC*.THydrogen-bonded Turntrans-68.7-20.6178.7-62.3-59.2-28.200113.4H140 V144 K145 F146H140-Q142 PolarHBondContact O-N 3.29Å; Q142-V144 PolarHBondContact O-N 3.01Å; Q142-K145 PolarHBondContact O-N 2.95Å; Q142-F146 PolarHBondContact O-N 3.06Å
143D87.2Confident91.8Very high10 Ų1019.7 Ų19.75%0.05310%0.101CC..Hα-helixtrans-69-17.8-179-61.7-26.2000112.5I116 A139 H140 G141 F146 A147 K206 Y207I116-D143 HydrophobicContact CG1-CB 4.48Å; A139-D143 HydrophobicContact CB-CB 4.21Å; H140-D143 VanDerWaalsContact O-CB 3.31Å; H140-D143 WeakPolarHBondContact O-CB 3.36Å; H140-D143 PolarHBondContact O-N 2.95Å; G141-D143 PolarHBondContact O-N 3.48Å; D143-F146 PolarHBondContact O-N 3.19Å; D143-A147 WeakPolarHBondContact O-CB 3.42Å; D143-A147 PolarHBondContact O-N 3.09Å; D143-K206 IonicContact OD1-NZ 3.97Å; D143-K206 PolarHBondContact OD1-NZ 2.91Å; D143-Y207 WeakPolarHBondContact OD2-CE2 3.48Å
144V90.6Very high91.6Very high4 Ų419.5 Ų19.52%0.02410%0.1CC..Hα-helixtrans-62.8-46178.8-178.40000110.7A139 G141 Q142 T148 L169 C171 A177A139-V144 HydrophobicContact CB-CB 4.48Å; A139-V144 HydrophobicContact CB-CG2 4.06Å; G141-V144 PolarHBondContact O-N 3.3Å; Q142-V144 PolarHBondContact O-N 3.01Å; V144-T148 WeakPolarHBondContact O-CG2 3.33Å; V144-T148 PolarHBondContact O-N 2.94Å; V144-L169 HydrophobicContact CG1-CD2 4.47Å; V144-C171 HydrophobicContact CG1-CB 4.34Å; V144-C171 HydrophobicContact CG2-CB 3.78Å; V144-A177 HydrophobicContact CG1-CB 3.68Å
145K86.8Confident91.2Very high106 Ų10619.6 Ų19.646%0.46110%0.1SC..Hα-helixtrans-66.8-45.1176-68.3-178179.3-179.90110.5Q142 A147 T148 A149Q142-K145 PolarHBondContact O-N 2.95Å; K145-A147 VanDerWaalsContact C-N 3.32Å; K145-A147 PolarHBondContact O-N 3.03Å; K145-T148 PolarHBondContact O-N 2.78Å; K145-T148 PolarHBondContact O-OG1 3.35Å; K145-A149 PolarHBondContact O-N 3.03Å; K145-A149 VanDerWaalsContact O-N 3.17Å
146F85.8Confident90.8Very high20 Ų2020.8 Ų20.89%0.08811%0.106CC..Hα-helixtrans-60.9-40.4-179.5-170.9-119.9000112.6I116 Q142 D143 T148 A149 L150 H186 H203I116-F146 HydrophobicContact CG2-CD1 3.76Å; I116-F146 HydrophobicContact CG2-CE1 3.83Å; Q142-F146 PolarHBondContact O-N 3.06Å; D143-F146 PolarHBondContact O-N 3.19Å; F146-T148 PolarHBondContact O-N 3.23Å; F146-A149 PolarHBondContact O-N 3.15Å; F146-L150 HydrophobicContact CD1-CD1 3.63Å; F146-L150 HydrophobicContact CD1-CG 4.49Å; F146-L150 HydrophobicContact CD2-CD1 4.29Å; F146-L150 HydrophobicContact CD2-CG 4.35Å; F146-L150 HydrophobicContact CE1-CD1 3.06Å; F146-L150 HydrophobicContact CE1-CG 4.06Å; F146-L150 HydrophobicContact CE2-CD1 3.82Å; F146-L150 HydrophobicContact CE2-CD2 4.22Å; F146-L150 HydrophobicContact CE2-CG 3.9Å; F146-L150 HydrophobicContact CG-CD1 4.18Å; F146-L150 HydrophobicContact CZ-CD1 3.15Å; F146-L150 HydrophobicContact CZ-CD2 4.01Å; F146-L150 HydrophobicContact CZ-CG 3.72Å; F146-L150 PolarHBondContact O-N 2.71Å; F146-H186 AromaticContact CD2-ND1 3.87Å; F146-H203 AromaticContact CD1-CD2 3.94Å; F146-H203 HydrophobicContact CE1-CB 4.29Å; F146-H203 AromaticContact CE1-CD2 3.22Å; F146-H203 WeakPolarHBondContact CE1-CD2 3.41Å; F146-H203 AromaticContact CE1-CE1 3.55Å; F146-H203 AromaticContact CE1-CG 3.44Å; F146-H203 VanDerWaalsContact CE1-CG 3.44Å; F146-H203 AromaticContact CE1-ND1 3.62Å; F146-H203 AromaticContact CE1-NE2 3.3Å; F146-H203 VanDerWaalsContact CE1-NE2 3.3Å; F146-H203 WeakPolarHBondContact CE1-NE2 3.21Å; F146-H203 AromaticContact CE2-CE1 3.84Å; F146-H203 AromaticContact CE2-NE2 3.82Å; F146-H203 AromaticContact CZ-CD2 3.62Å; F146-H203 AromaticContact CZ-CE1 3.06Å; F146-H203 WeakPolarHBondContact CZ-CE1 3.13Å; F146-H203 AromaticContact CZ-CG 3.77Å; F146-H203 AromaticContact CZ-ND1 3.42Å; F146-H203 WeakPolarHBondContact CZ-ND1 3.4Å; F146-H203 AromaticContact CZ-NE2 3.18Å; F146-H203 WeakPolarHBondContact CZ-NE2 3.45Å
147A91.1Very high90.5Very high0 Ų023.3 Ų23.30%012%0.117CC..Hα-helixtrans-56.4-49.2174.300000111.8I116 A139 D143 K145 A149 L150 V151 L169I116-A147 HydrophobicContact CD1-CB 3.48Å; I116-A147 VanDerWaalsContact CD1-CB 3.48Å; I116-A147 HydrophobicContact CG1-CB 3.88Å; A139-A147 HydrophobicContact CB-CB 3.99Å; D143-A147 WeakPolarHBondContact O-CB 3.42Å; D143-A147 PolarHBondContact O-N 3.09Å; K145-A147 VanDerWaalsContact C-N 3.32Å; K145-A147 PolarHBondContact O-N 3.03Å; A147-A149 VanDerWaalsContact C-N 3.32Å; A147-A149 PolarHBondContact O-N 2.89Å; A147-L150 PolarHBondContact O-N 3.42Å; A147-V151 VanDerWaalsContact O-CB 3.28Å; A147-V151 WeakPolarHBondContact O-CB 3.31Å; A147-V151 WeakPolarHBondContact O-CG2 3.43Å; A147-V151 PolarHBondContact O-N 3.34Å; A147-L169 HydrophobicContact CB-CD1 3.9Å
148T90.9Very high90.5Very high0 Ų023.3 Ų23.30%012%0.117CC..Hα-helixtrans-63.7-38.4-179.763.50000112.5L70 V144 K145 F146 Y152 L169 A177 S178L70-T148 HydrophobicContact CD1-CG2 4.21Å; L70-T148 HydrophobicContact CD2-CG2 3.84Å; V144-T148 WeakPolarHBondContact O-CG2 3.33Å; V144-T148 PolarHBondContact O-N 2.94Å; K145-T148 PolarHBondContact O-N 2.78Å; K145-T148 PolarHBondContact O-OG1 3.35Å; F146-T148 PolarHBondContact O-N 3.23Å; T148-Y152 WeakPolarHBondContact O-CB 3.36Å; T148-Y152 PolarHBondContact O-N 3.15Å; T148-Y152 VanDerWaalsContact O-N 3.13Å; T148-L169 HydrophobicContact CG2-CD2 3.82Å; T148-A177 HydrophobicContact CG2-CB 4.08Å; T148-S178 PolarHBondContact OG1-O 3.24Å; T148-S178 VanDerWaalsContact OG1-O 3.11Å
149A89.3Confident90.4Very high3 Ų327.8 Ų27.83%0.02515%0.147CC..Hα-helixtrans-66.8-48.5179.100000111.8K145 F146 A147 Y152 A153 P180 H186 F187K145-A149 PolarHBondContact O-N 3.03Å; K145-A149 VanDerWaalsContact O-N 3.17Å; F146-A149 PolarHBondContact O-N 3.15Å; A147-A149 VanDerWaalsContact C-N 3.32Å; A147-A149 PolarHBondContact O-N 2.89Å; A149-Y152 PolarHBondContact O-N 3.44Å; A149-A153 PolarHBondContact O-N 3.43Å; A149-P180 HydrophobicContact CB-CG 3.83Å; A149-H186 HydrophobicContact CB-CB 4.02Å; A149-F187 HydrophobicContact CB-CE2 4.31Å; A149-F187 HydrophobicContact CB-CZ 4.35Å; A149-F187 WeakPolarHBondContact O-CZ 3.06Å
150L89.8Confident90.5Very high2 Ų232.2 Ų32.21%0.0117%0.167CC..Hα-helixtrans-69.6-40.2-179.3-73.7173.2000112.9I116 F146 A147 Y152 A153 L154 R199 L200I116-L150 HydrophobicContact CG2-CD1 4.28Å; F146-L150 HydrophobicContact CD1-CD1 3.63Å; F146-L150 HydrophobicContact CD1-CG 4.49Å; F146-L150 HydrophobicContact CD2-CD1 4.29Å; F146-L150 HydrophobicContact CD2-CG 4.35Å; F146-L150 HydrophobicContact CE1-CD1 3.06Å; F146-L150 HydrophobicContact CE1-CG 4.06Å; F146-L150 HydrophobicContact CE2-CD1 3.82Å; F146-L150 HydrophobicContact CE2-CD2 4.22Å; F146-L150 HydrophobicContact CE2-CG 3.9Å; F146-L150 HydrophobicContact CG-CD1 4.18Å; F146-L150 HydrophobicContact CZ-CD1 3.15Å; F146-L150 HydrophobicContact CZ-CD2 4.01Å; F146-L150 HydrophobicContact CZ-CG 3.72Å; F146-L150 PolarHBondContact O-N 2.71Å; A147-L150 PolarHBondContact O-N 3.42Å; L150-Y152 VanDerWaalsContact C-N 3.27Å; L150-Y152 PolarHBondContact O-N 2.97Å; L150-A153 WeakPolarHBondContact O-CB 3.34Å; L150-A153 PolarHBondContact O-N 2.93Å; L150-A153 VanDerWaalsContact O-N 3.14Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.37Å; L150-L154 PolarHBondContact O-N 3.06Å; L150-R199 HydrophobicContact CD2-CG 4.14Å; L150-L200 HydrophobicContact CD1-CD2 3.43Å; L150-L200 VanDerWaalsContact CD1-CD2 3.43Å; L150-L200 HydrophobicContact CD1-CG 4.36Å; L150-L200 HydrophobicContact CD2-CD2 4.48Å; L150-L200 HydrophobicContact CG-CD2 4.37Å
151V92.3Very high90.8Very high2 Ų229.9 Ų29.91%0.01216%0.156CC..Hα-helixtrans-59.8-43174.7167.40000110L88 I89 I137 A147 L154 T155 F167L88-V151 HydrophobicContact CD2-CG1 4.44Å; I89-V151 HydrophobicContact CD1-CG1 3.7Å; I89-V151 HydrophobicContact CG1-CG1 4.18Å; I137-V151 HydrophobicContact CD1-CG2 3.37Å; A147-V151 VanDerWaalsContact O-CB 3.28Å; A147-V151 WeakPolarHBondContact O-CB 3.31Å; A147-V151 WeakPolarHBondContact O-CG2 3.43Å; A147-V151 PolarHBondContact O-N 3.34Å; V151-L154 PolarHBondContact O-N 3.04Å; V151-T155 WeakPolarHBondContact O-CG2 3.1Å; V151-T155 PolarHBondContact O-N 3.03Å; V151-T155 PolarHBondContact O-OG1 3.46Å; V151-F167 HydrophobicContact CG1-CB 3.74Å; V151-F167 HydrophobicContact CG1-CD1 4.15Å; V151-F167 HydrophobicContact CG1-CD2 3.72Å; V151-F167 HydrophobicContact CG1-CE2 4.31Å; V151-F167 HydrophobicContact CG1-CG 3.6Å; V151-F167 HydrophobicContact CG2-CD1 4.13Å; V151-F167 HydrophobicContact CG2-CE1 4.44Å; V151-F167 HydrophobicContact CG2-CG 4.41Å
152Y91.7Very high91.1Very high24 Ų2430.4 Ų30.49%0.09415%0.15CC..Hα-helixtrans-61.4-47.2172.3-178.9-107.4000111.9K63 L66 T148 A149 L150 L154 T155 I156 F179 F187K63-Y152 HydrophobicContact CB-CE2 3.88Å; K63-Y152 HydrophobicContact CG-CE2 4.29Å; L66-Y152 HydrophobicContact CD2-CD2 3.75Å; L66-Y152 HydrophobicContact CD2-CG 3.97Å; T148-Y152 WeakPolarHBondContact O-CB 3.36Å; T148-Y152 PolarHBondContact O-N 3.15Å; T148-Y152 VanDerWaalsContact O-N 3.13Å; A149-Y152 PolarHBondContact O-N 3.44Å; L150-Y152 VanDerWaalsContact C-N 3.27Å; L150-Y152 PolarHBondContact O-N 2.97Å; Y152-L154 PolarHBondContact O-N 3.44Å; Y152-T155 PolarHBondContact O-N 2.88Å; Y152-T155 VanDerWaalsContact O-N 3.09Å; Y152-T155 PolarHBondContact O-OG1 3.04Å; Y152-I156 HydrophobicContact CD1-CG1 4.3Å; Y152-I156 HydrophobicContact CD2-CG1 4.38Å; Y152-I156 HydrophobicContact CE1-CG1 3.91Å; Y152-I156 HydrophobicContact CE2-CD1 3.97Å; Y152-I156 HydrophobicContact CE2-CG1 3.98Å; Y152-I156 WeakPolarHBondContact O-CG1 3.45Å; Y152-I156 PolarHBondContact O-N 2.78Å; Y152-F179 AromaticContact CD1-CE2 3.97Å; Y152-F179 HydrophobicContact CD1-CE2 3.97Å; Y152-F179 AromaticContact CD1-CZ 3.75Å; Y152-F179 HydrophobicContact CD1-CZ 3.75Å; Y152-F179 HydrophobicContact CD2-CE2 4.33Å; Y152-F179 HydrophobicContact CE1-CZ 4.08Å; Y152-F179 AromaticContact CG-CE2 3.79Å; Y152-F179 HydrophobicContact CG-CE2 3.79Å; Y152-F179 HydrophobicContact CG-CZ 4.05Å; Y152-F187 AromaticContact CD1-CE1 3.6Å; Y152-F187 HydrophobicContact CD1-CE1 3.6Å; Y152-F187 AromaticContact CD1-CZ 3.55Å; Y152-F187 HydrophobicContact CD1-CZ 3.55Å; Y152-F187 HydrophobicContact CE1-CE1 4.14Å; Y152-F187 HydrophobicContact CE1-CZ 4.23Å
153A91.8Very high91.7Very high1 Ų125.2 Ų25.21%0.00813%0.131CC..Hα-helixtrans-56.7-46.9177.900000112.4A149 L150 T155 I156 F157 F187 L190 V196A149-A153 PolarHBondContact O-N 3.43Å; L150-A153 WeakPolarHBondContact O-CB 3.34Å; L150-A153 PolarHBondContact O-N 2.93Å; L150-A153 VanDerWaalsContact O-N 3.14Å; A153-T155 VanDerWaalsContact C-N 3.25Å; A153-T155 PolarHBondContact O-N 2.9Å; A153-I156 PolarHBondContact O-N 2.95Å; A153-F157 HydrophobicContact CB-CD2 4.19Å; A153-F157 HydrophobicContact CB-CE2 4.46Å; A153-F157 VanDerWaalsContact O-CD2 3.22Å; A153-F157 WeakPolarHBondContact O-CD2 3.46Å; A153-F157 PolarHBondContact O-N 2.9Å; A153-F187 HydrophobicContact CB-CD1 4.24Å; A153-F187 HydrophobicContact CB-CE1 3.78Å; A153-L190 HydrophobicContact CB-CD1 3.87Å; A153-V196 HydrophobicContact CB-CG1 4.12Å; A153-V196 HydrophobicContact CB-CG2 4.24Å
154L93.7Very high92.1Very high0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-54.4-43.4175.7-71168.8000111.1L119 L122 L150 V151 Y152 I156 C158 I161 F167 V196 F197 L200L119-L154 HydrophobicContact CD2-CD1 4.14Å; L119-L154 HydrophobicContact CG-CD1 4.47Å; L122-L154 HydrophobicContact CD2-CD1 4.4Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.37Å; L150-L154 PolarHBondContact O-N 3.06Å; V151-L154 PolarHBondContact O-N 3.04Å; Y152-L154 PolarHBondContact O-N 3.44Å; L154-I156 PolarHBondContact O-N 3.49Å; L154-C158 WeakPolarHBondContact O-CA 3.4Å; L154-C158 WeakPolarHBondContact O-CB 3.35Å; L154-C158 PolarHBondContact O-N 3.35Å; L154-I161 HydrophobicContact CB-CD1 4.21Å; L154-I161 HydrophobicContact CB-CG2 4.16Å; L154-I161 HydrophobicContact CD2-CD1 3.67Å; L154-I161 HydrophobicContact CG-CD1 4.38Å; L154-F167 HydrophobicContact CD1-CZ 4.11Å; L154-V196 HydrophobicContact CD2-CB 4.39Å; L154-V196 HydrophobicContact CD2-CG1 3.52Å; L154-V196 HydrophobicContact CG-CG1 3.84Å; L154-F197 HydrophobicContact CD2-CD2 4.44Å; L154-F197 HydrophobicContact CD2-CE1 4.3Å; L154-F197 HydrophobicContact CD2-CE2 3.91Å; L154-F197 HydrophobicContact CD2-CZ 3.82Å; L154-L200 HydrophobicContact CD1-CD1 4.31Å; L154-L200 HydrophobicContact CD2-CD1 4.03Å
155T90.1Very high92.4Very high3 Ų326 Ų262%0.01814%0.136CC..Hα-helixtrans-75.4-8.8-179.665.80000115.1R62 I89 V151 Y152 A153 F167R62-T155 PolarHBondContact NH1-O 3.26Å; I89-T155 HydrophobicContact CB-CG2 4.42Å; I89-T155 HydrophobicContact CD1-CG2 3.94Å; I89-T155 HydrophobicContact CG2-CG2 3.87Å; V151-T155 WeakPolarHBondContact O-CG2 3.1Å; V151-T155 PolarHBondContact O-N 3.03Å; V151-T155 PolarHBondContact O-OG1 3.46Å; Y152-T155 PolarHBondContact O-N 2.88Å; Y152-T155 VanDerWaalsContact O-N 3.09Å; Y152-T155 PolarHBondContact O-OG1 3.04Å; A153-T155 VanDerWaalsContact C-N 3.25Å; A153-T155 PolarHBondContact O-N 2.9Å; T155-F167 HydrophobicContact CG2-CD2 4.21Å; T155-F167 HydrophobicContact CG2-CE2 4Å
156I90Very high92.9Very high26 Ų2621.4 Ų21.413%0.13312%0.116CC..Hα-helixtrans-100.1-38.2176.2-64.9-60.7000111.3K59 Y152 A153 L154K59-I156 HydrophobicContact CB-CD1 4.39Å; K59-I156 HydrophobicContact CD-CG2 4.35Å; K59-I156 HydrophobicContact CG-CD1 4.12Å; Y152-I156 HydrophobicContact CD1-CG1 4.3Å; Y152-I156 HydrophobicContact CD2-CG1 4.38Å; Y152-I156 HydrophobicContact CE1-CG1 3.91Å; Y152-I156 HydrophobicContact CE2-CD1 3.97Å; Y152-I156 HydrophobicContact CE2-CG1 3.98Å; Y152-I156 WeakPolarHBondContact O-CG1 3.45Å; Y152-I156 PolarHBondContact O-N 2.78Å; A153-I156 PolarHBondContact O-N 2.95Å; L154-I156 PolarHBondContact O-N 3.49Å
157F92.6Very high93.5Very high52 Ų5220.4 Ų20.423%0.22811%0.111CC..Hα-helixtrans-104.5-17.4-170.3-66.4-71.4000113.8A153 P159 F187 L190 C193 V196A153-F157 HydrophobicContact CB-CD2 4.19Å; A153-F157 HydrophobicContact CB-CE2 4.46Å; A153-F157 VanDerWaalsContact O-CD2 3.22Å; A153-F157 WeakPolarHBondContact O-CD2 3.46Å; A153-F157 PolarHBondContact O-N 2.9Å; F157-P159 WeakPolarHBondContact O-CD 3.44Å; F157-F187 HydrophobicContact CE2-CD1 4.49Å; F157-L190 HydrophobicContact CD2-CB 4.44Å; F157-L190 WeakPolarHBondContact CE1-O 3.42Å; F157-L190 HydrophobicContact CE2-CB 3.92Å; F157-L190 HydrophobicContact CZ-CB 4.17Å; F157-L190 WeakPolarHBondContact CZ-O 3.35Å; F157-C193 WeakPolarHBondContact O-CB 3.49Å; F157-C193 PolarHBondContact O-N 2.83Å; F157-V196 HydrophobicContact CB-CG2 3.83Å; F157-V196 HydrophobicContact CD2-CG2 3.75Å; F157-V196 HydrophobicContact CG-CG2 4.06Å
158C95.9Very high93.8Very high3 Ų320.5 Ų20.52%0.0211%0.112CC..  trans-114.298.8-176.9-590000111.8L154 Q160 I161 Q162 C193L154-C158 WeakPolarHBondContact O-CA 3.4Å; L154-C158 WeakPolarHBondContact O-CB 3.35Å; L154-C158 PolarHBondContact O-N 3.35Å; C158-Q160 PolarHBondContact O-N 2.93Å; C158-I161 HydrophobicContact CB-CB 3.88Å; C158-I161 HydrophobicContact CB-CD1 3.66Å; C158-I161 HydrophobicContact CB-CG1 3.86Å; C158-I161 PolarHBondContact O-N 3.49Å; C158-I161 VanDerWaalsContact O-N 3.14Å; C158-Q162 PolarHBondContact O-N 3.21Å; C158-C193 HydrophobicContact CB-CB 3.91Å; C158-C193 WeakPolarHBondContact CB-SG 3.48Å; C158-C193 WeakPolarHBondContact SG-CA 3.29Å; C158-C193 WeakPolarHBondContact SG-CB 3.31Å; C158-C193 CovalentContact SG-SG 2.04Å; C158-C193 PolarHBondContact SG-SG 2.87Å
159P94.8Very high94.2Very high95 Ų9520.6 Ų20.662%0.61711%0.112SC*.Hα-helixtrans-57.5-41.4-175.6-28.135.7000114.5F157 I161 Q162 A163F157-P159 WeakPolarHBondContact O-CD 3.44Å; P159-I161 VanDerWaalsContact C-N 3.34Å; P159-I161 PolarHBondContact O-N 3.24Å; P159-Q162 WeakPolarHBondContact O-CB 3.4Å; P159-Q162 PolarHBondContact O-N 2.88Å; P159-A163 VanDerWaalsContact O-CB 3.31Å; P159-A163 WeakPolarHBondContact O-CB 3.35Å; P159-A163 PolarHBondContact O-N 2.9Å
160Q95.4Very high94.6Very high94 Ų9420.4 Ų20.444%0.43911%0.111SC..Hα-helixtrans-65.8-37.8179-68.6-171.7-11.400112.3V126 C158 A163 L164V126-Q160 HydrophobicContact CG1-CB 3.76Å; C158-Q160 PolarHBondContact O-N 2.93Å; Q160-A163 PolarHBondContact O-N 2.86Å; Q160-L164 WeakPolarHBondContact O-CB 3.43Å; Q160-L164 PolarHBondContact O-N 2.84Å
161I96.8Very high94.9Very high3 Ų320.3 Ų20.32%0.01511%0.11CC..Hα-helixtrans-68.3-46.8177.6-63.1179.7000110L122 V126 L154 C158 P159 A163 L164 V165 F167 F197L122-I161 HydrophobicContact CD2-CD1 4.14Å; V126-I161 HydrophobicContact CG2-CG1 4.45Å; L154-I161 HydrophobicContact CB-CD1 4.21Å; L154-I161 HydrophobicContact CB-CG2 4.16Å; L154-I161 HydrophobicContact CD2-CD1 3.67Å; L154-I161 HydrophobicContact CG-CD1 4.38Å; C158-I161 HydrophobicContact CB-CB 3.88Å; C158-I161 HydrophobicContact CB-CD1 3.66Å; C158-I161 HydrophobicContact CB-CG1 3.86Å; C158-I161 PolarHBondContact O-N 3.49Å; C158-I161 VanDerWaalsContact O-N 3.14Å; P159-I161 VanDerWaalsContact C-N 3.34Å; P159-I161 PolarHBondContact O-N 3.24Å; I161-A163 PolarHBondContact O-N 2.98Å; I161-L164 PolarHBondContact O-N 3Å; I161-V165 HydrophobicContact CB-CG2 4.3Å; I161-V165 HydrophobicContact CG1-CG2 4.46Å; I161-V165 HydrophobicContact CG2-CB 3.87Å; I161-V165 HydrophobicContact CG2-CG1 4.46Å; I161-V165 HydrophobicContact CG2-CG2 4Å; I161-V165 WeakPolarHBondContact O-CB 3.13Å; I161-V165 PolarHBondContact O-N 3.26Å; I161-F167 HydrophobicContact CG2-CE2 3.52Å; I161-F167 HydrophobicContact CG2-CZ 3.62Å; I161-F197 HydrophobicContact CD1-CE2 3.76Å; I161-F197 HydrophobicContact CD1-CZ 3.61Å
162Q95.1Very high94.9Very high45 Ų4522.3 Ų22.321%0.2112%0.12CC..Hα-helixtrans-52.7-42.9172.1156.4-179.5-18.200111.4R62 S91 D92 C158 P159R62-Q162 VanDerWaalsContact CZ-CD 3.49Å; S91-Q162 CarbonylContact C-O 3.57Å; S91-Q162 VanDerWaalsContact CA-O 3.29Å; S91-Q162 WeakPolarHBondContact CA-O 3.32Å; D92-Q162 PolarHBondContact N-O 3.18Å; D92-Q162 WeakPolarHBondContact OD2-CG 3.46Å; D92-Q162 PolarHBondContact OD2-NE2 3.07Å; C158-Q162 PolarHBondContact O-N 3.21Å; P159-Q162 WeakPolarHBondContact O-CB 3.4Å; P159-Q162 PolarHBondContact O-N 2.88Å
163A94.3Very high95Very high36 Ų3623 Ų2330%0.29813%0.127SC..Hα-helixtrans-72-37.4-175.300000113.2S91 F93 P159 Q160 I161S91-A163 WeakPolarHBondContact CB-O 3.36Å; F93-A163 WeakPolarHBondContact CB-O 3.35Å; F93-A163 PolarHBondContact N-O 2.88Å; P159-A163 VanDerWaalsContact O-CB 3.31Å; P159-A163 WeakPolarHBondContact O-CB 3.35Å; P159-A163 PolarHBondContact O-N 2.9Å; Q160-A163 PolarHBondContact O-N 2.86Å; I161-A163 PolarHBondContact O-N 2.98Å
164L95.4Very high95Very high31 Ų3126.6 Ų26.616%0.16217%0.165CC..Hα-helixtrans-124.3-13.7-161.8-62.9172.9000115.8L133 Q160 I161L133-L164 PolarHBondContact N-O 2.84Å; Q160-L164 WeakPolarHBondContact O-CB 3.43Å; Q160-L164 PolarHBondContact O-N 2.84Å; I161-L164 PolarHBondContact O-N 3Å
165V97.6Very high94.9Very high1 Ų128.3 Ų28.31%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-108.4120.6-168.5-172.90000112.7V126 L133 V135 I161 F167V126-V165 HydrophobicContact CG2-CG2 3.71Å; L133-V165 HydrophobicContact CB-CG2 4.32Å; L133-V165 HydrophobicContact CD2-CG2 4.19Å; L133-V165 CarbonylContact O-C 3.52Å; L133-V165 VanDerWaalsContact O-CA 3.31Å; L133-V165 WeakPolarHBondContact O-CA 3.46Å; V135-V165 HydrophobicContact CB-CG1 4.39Å; V135-V165 HydrophobicContact CG2-CG1 3.61Å; I161-V165 HydrophobicContact CB-CG2 4.3Å; I161-V165 HydrophobicContact CG1-CG2 4.46Å; I161-V165 HydrophobicContact CG2-CB 3.87Å; I161-V165 HydrophobicContact CG2-CG1 4.46Å; I161-V165 HydrophobicContact CG2-CG2 4Å; I161-V165 WeakPolarHBondContact O-CB 3.13Å; I161-V165 PolarHBondContact O-N 3.26Å; V165-F167 HydrophobicContact CB-CE2 4.04Å; V165-F167 HydrophobicContact CB-CZ 4.23Å; V165-F167 HydrophobicContact CG1-CD1 4.26Å; V165-F167 HydrophobicContact CG1-CD2 4.08Å; V165-F167 HydrophobicContact CG1-CE1 3.84Å; V165-F167 HydrophobicContact CG1-CE2 3.64Å; V165-F167 HydrophobicContact CG1-CG 4.39Å; V165-F167 HydrophobicContact CG1-CZ 3.52Å
166D97.1Very high94.9Very high8 Ų834.1 Ų34.14%0.04320%0.202CC..EExtended strand (participates in β ladder)trans-94.2126.7169.4-67.6-20.6000109.8K90 S91 S94 L133 V135K90-D166 WeakPolarHBondContact CA-OD1 2.99Å; S91-D166 VanDerWaalsContact CB-OD1 3.31Å; S91-D166 WeakPolarHBondContact CB-OD1 3.37Å; S91-D166 PolarHBondContact N-OD1 3.36Å; S91-D166 PolarHBondContact OG-OD1 3.49Å; S94-D166 WeakPolarHBondContact CB-OD1 3.47Å; S94-D166 WeakPolarHBondContact CB-OD2 3.49Å; S94-D166 PolarHBondContact OG-OD1 2.89Å; S94-D166 PolarHBondContact OG-OD2 3.42Å; L133-D166 PolarHBondContact O-N 2.82Å; V135-D166 PolarHBondContact N-O 2.75Å
167F98Very high95Very high0 Ų033.1 Ų33.10%020%0.197CC..EExtended strand (participates in β ladder)trans-105.6137.7-178.7-70.3-78000112.4L88 I89 L122 V135 I137 V151 L154 T155 I161 V165L88-F167 WeakPolarHBondContact CB-O 3.45Å; L88-F167 PolarHBondContact N-O 3.33Å; I89-F167 PolarHBondContact N-O 3.5Å; I89-F167 PolarHBondContact O-N 3.21Å; L122-F167 HydrophobicContact CD2-CE1 3.82Å; L122-F167 HydrophobicContact CD2-CZ 3.71Å; V135-F167 HydrophobicContact CB-CD1 4.07Å; V135-F167 HydrophobicContact CB-CE1 4.27Å; V135-F167 HydrophobicContact CG1-CD1 4.41Å; V135-F167 HydrophobicContact CG1-CE1 4.45Å; I137-F167 HydrophobicContact CD1-CD1 3.69Å; I137-F167 HydrophobicContact CD1-CE1 4.11Å; V151-F167 HydrophobicContact CG1-CB 3.74Å; V151-F167 HydrophobicContact CG1-CD1 4.15Å; V151-F167 HydrophobicContact CG1-CD2 3.72Å; V151-F167 HydrophobicContact CG1-CE2 4.31Å; V151-F167 HydrophobicContact CG1-CG 3.6Å; V151-F167 HydrophobicContact CG2-CD1 4.13Å; V151-F167 HydrophobicContact CG2-CE1 4.44Å; V151-F167 HydrophobicContact CG2-CG 4.41Å; L154-F167 HydrophobicContact CD1-CZ 4.11Å; T155-F167 HydrophobicContact CG2-CD2 4.21Å; T155-F167 HydrophobicContact CG2-CE2 4Å; I161-F167 HydrophobicContact CG2-CE2 3.52Å; I161-F167 HydrophobicContact CG2-CZ 3.62Å; V165-F167 HydrophobicContact CB-CE2 4.04Å; V165-F167 HydrophobicContact CB-CZ 4.23Å; V165-F167 HydrophobicContact CG1-CD1 4.26Å; V165-F167 HydrophobicContact CG1-CD2 4.08Å; V165-F167 HydrophobicContact CG1-CE1 3.84Å; V165-F167 HydrophobicContact CG1-CE2 3.64Å; V165-F167 HydrophobicContact CG1-CG 4.39Å; V165-F167 HydrophobicContact CG1-CZ 3.52Å
168H98.2Very high94.9Very high1 Ų133.1 Ų33.11%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-126.4145.2172.5-47-95.5000108.7Y85 N87 S134 V135 A136 I137 V228 G232Y85-H168 WeakPolarHBondContact O-CA 3.48Å; N87-H168 PolarHBondContact N-ND1 3.08Å; N87-H168 VanDerWaalsContact N-ND1 3.13Å; N87-H168 PolarHBondContact OD1-CE1 3.29Å; S134-H168 PolarHBondContact OG-CD2 3.26Å; S134-H168 VanDerWaalsContact OG-CD2 3.26Å; S134-H168 PolarHBondContact OG-NE2 3.25Å; V135-H168 PolarHBondContact O-CD2 2.92Å; V135-H168 PolarHBondContact O-N 3.46Å; A136-H168 HydrophobicContact CB-CB 4.49Å; I137-H168 PolarHBondContact N-O 3.12Å; H168-V228 HydrophobicContact CB-CG1 3.54Å; H168-G232 WeakPolarHBondContact CE1-CA 3.47Å
169L97.8Very high94.2Very high2 Ų233.7 Ų33.71%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-120.9132.9178.2177.869.6000110.3Y85 L88 I137 A139 V144 A147 T148 A177Y85-L169 HydrophobicContact CD2-CB 4.42Å; Y85-L169 HydrophobicContact CD2-CD2 4.3Å; Y85-L169 HydrophobicContact CD2-CG 4.4Å; Y85-L169 PolarHBondContact N-O 3.22Å; Y85-L169 PolarHBondContact O-N 3.47Å; L88-L169 HydrophobicContact CD2-CB 3.91Å; L88-L169 HydrophobicContact CD2-CD2 4.38Å; I137-L169 HydrophobicContact CB-CD1 4.42Å; I137-L169 HydrophobicContact CG2-CD1 4.32Å; I137-L169 CarbonylContact O-C 3.6Å; I137-L169 WeakPolarHBondContact O-CA 3.21Å; A139-L169 HydrophobicContact CB-CD1 3.88Å; V144-L169 HydrophobicContact CG1-CD2 4.47Å; A147-L169 HydrophobicContact CB-CD1 3.9Å; T148-L169 HydrophobicContact CG2-CD2 3.82Å; L169-A177 HydrophobicContact CD2-CB 3.55Å
170V97.8Very high93.1Very high0 Ų029.6 Ų29.60%018%0.179CC..EExtended strand (participates in β ladder)trans-122.8128.8173.9-175.80000108.3Y82 R83 V84 I137 F138 A139 L224 L225 V228Y82-V170 HydrophobicContact CD1-CG1 4.27Å; Y82-V170 HydrophobicContact CG-CG1 4.35Å; R83-V170 WeakPolarHBondContact O-CA 3.49Å; V84-V170 HydrophobicContact CG1-CG2 4.22Å; V84-V170 HydrophobicContact CG2-CG1 4.42Å; V84-V170 HydrophobicContact CG2-CG2 4.25Å; I137-V170 PolarHBondContact O-N 2.97Å; F138-V170 WeakPolarHBondContact CA-O 3.15Å; F138-V170 HydrophobicContact CD2-CB 4.27Å; F138-V170 HydrophobicContact CD2-CG1 4.12Å; F138-V170 WeakPolarHBondContact CD2-O 3.32Å; A139-V170 PolarHBondContact N-O 3.21Å; V170-L224 HydrophobicContact CG1-CD2 3.93Å; V170-L225 HydrophobicContact CB-CD2 3.7Å; V170-L225 HydrophobicContact CG1-CD2 4.31Å; V170-L225 HydrophobicContact CG2-CD2 3.62Å; V170-V228 HydrophobicContact CG2-CG1 4.29Å; V170-V228 HydrophobicContact CG2-CG2 4.19Å
171C95.8Very high91.5Very high0 Ų034.3 Ų34.30%020%0.201CC..EExtended strand (participates in β ladder)trans-135.8172.8172.864.20000109.9Y82 R83 A139 V144 Q175Y82-C171 CarbonylContact C-O 3.3Å; Y82-C171 VanDerWaalsContact CA-O 3.29Å; Y82-C171 WeakPolarHBondContact CA-O 3.3Å; R83-C171 PolarHBondContact N-O 3.49Å; R83-C171 PolarHBondContact O-N 3.45Å; A139-C171 WeakPolarHBondContact O-CA 3.14Å; A139-C171 WeakPolarHBondContact O-CB 3.41Å; V144-C171 HydrophobicContact CG1-CB 4.34Å; V144-C171 HydrophobicContact CG2-CB 3.78Å; C171-Q175 HydrophobicContact CB-CB 4.36Å
172H94.2Very high89.8Confident44 Ų4441.7 Ų41.720%0.20424%0.236CC..EExtended strand (participates in β ladder)trans-63.1150.9173.5-87.4-71.1000112Q81 Y82 H140 G174 Q175 V218Q81-H172 PolarHBondContact O-ND1 2.82Å; Y82-H172 AromaticContact CE1-CE1 3.52Å; Y82-H172 AromaticContact CE1-ND1 3.83Å; Y82-H172 AromaticContact CE1-NE2 3.94Å; H140-H172 AromaticContact ND1-CD2 3.47Å; H140-H172 PolarHBondContact ND1-CD2 3.48Å; H172-G174 VanDerWaalsContact C-N 3.27Å; H172-G174 PolarHBondContact O-N 3.26Å; H172-Q175 HydrophobicContact CB-CG 4.15Å; H172-Q175 WeakPolarHBondContact O-CB 3.22Å; H172-Q175 PolarHBondContact O-N 3.17Å; H172-V218 VanDerWaalsContact NE2-CG1 3.27Å; H172-V218 WeakPolarHBondContact NE2-CG1 3.5Å
173S93.2Very high88.2Confident37 Ų3741.2 Ų41.226%0.25924%0.235SC..THydrogen-bonded Turntrans-59.4-33.9-17654.60000113.8G80 Q81 R83 Q175G80-S173 WeakPolarHBondContact O-CB 3.41Å; G80-S173 PolarHBondContact O-OG 2.94Å; G80-S173 VanDerWaalsContact O-OG 3.06Å; Q81-S173 PolarHBondContact O-N 3.16Å; Q81-S173 PolarHBondContact O-OG 3.14Å; R83-S173 PolarHBondContact NE-O 3.16Å; R83-S173 PolarHBondContact NH2-O 3.21Å; S173-Q175 PolarHBondContact O-N 3.07Å
174G90.9Very high86.7Confident78 Ų7849.7 Ų49.780%0.80426%0.259SS*.THydrogen-bonded Turntrans-71.8-5.8174.300000114.7H172H172-G174 VanDerWaalsContact C-N 3.27Å; H172-G174 PolarHBondContact O-N 3.26Å
175Q91.8Very high85.4Confident36 Ų3655 Ų5517%0.16828%0.283CS..  trans-105.5147.5179.3-51.9-169.9-91.900110.6R83 H140 G141 C171 H172 S173R83-Q175 VanDerWaalsContact CD-O 3.32Å; R83-Q175 WeakPolarHBondContact CD-O 3.05Å; R83-Q175 PolarHBondContact NE-O 3.46Å; H140-Q175 PolarHBondContact ND1-OE1 3.27Å; G141-Q175 PolarHBondContact O-NE2 2.9Å; C171-Q175 HydrophobicContact CB-CB 4.36Å; H172-Q175 HydrophobicContact CB-CG 4.15Å; H172-Q175 WeakPolarHBondContact O-CB 3.22Å; H172-Q175 PolarHBondContact O-N 3.17Å; S173-Q175 PolarHBondContact O-N 3.07Å
176M91.2Very high84Confident125 Ų12557.9 Ų57.962%0.61630%0.296SS*.  trans-121.9132.5171.9-70.3-174.168.800109.3
177A92.3Very high82.8Confident5 Ų559.5 Ų59.54%0.04130%0.303CS..  trans-81.3134.1172.900000108.2L70 Y85 V144 T148 L169L70-A177 HydrophobicContact CD2-CB 3.51Å; Y85-A177 HydrophobicContact CD2-CB 4.19Å; Y85-A177 HydrophobicContact CE1-CB 4.15Å; Y85-A177 HydrophobicContact CE2-CB 3.62Å; Y85-A177 PolarHBondContact OH-N 2.86Å; V144-A177 HydrophobicContact CG1-CB 3.68Å; T148-A177 HydrophobicContact CG2-CB 4.08Å; L169-A177 HydrophobicContact CD2-CB 3.55Å
178S88.5Confident81.7Confident51 Ų5163.8 Ų63.836%0.35733%0.329SS..  trans-135.7149175.569.40000107.9T148T148-S178 PolarHBondContact OG1-O 3.24Å; T148-S178 VanDerWaalsContact OG1-O 3.11Å
179F82.5Confident80.7Confident15 Ų1566.2 Ų66.27%0.06636%0.355CS..  trans-68.1140.4167.8-160.7-101.9000107.4K63 L66 R67 L70 Y152 E181 D183 F187K63-F179 HydrophobicContact CD-CE1 4.47Å; K63-F179 HydrophobicContact CG-CE1 4.43Å; K63-F179 HydrophobicContact CG-CZ 4.39Å; L66-F179 HydrophobicContact CD2-CD2 3.49Å; L66-F179 VanDerWaalsContact CD2-CD2 3.49Å; L66-F179 HydrophobicContact CD2-CE2 3.43Å; L66-F179 VanDerWaalsContact CD2-CE2 3.43Å; L66-F179 HydrophobicContact CG-CD2 4.09Å; L66-F179 HydrophobicContact CG-CE2 4.45Å; R67-F179 HydrophobicContact CG-CB 4.14Å; R67-F179 HydrophobicContact CG-CG 4.35Å; L70-F179 HydrophobicContact CD1-CB 3.91Å; L70-F179 HydrophobicContact CD1-CD2 4.42Å; Y152-F179 AromaticContact CD1-CE2 3.97Å; Y152-F179 HydrophobicContact CD1-CE2 3.97Å; Y152-F179 AromaticContact CD1-CZ 3.75Å; Y152-F179 HydrophobicContact CD1-CZ 3.75Å; Y152-F179 HydrophobicContact CD2-CE2 4.33Å; Y152-F179 HydrophobicContact CE1-CZ 4.08Å; Y152-F179 AromaticContact CG-CE2 3.79Å; Y152-F179 HydrophobicContact CG-CE2 3.79Å; Y152-F179 HydrophobicContact CG-CZ 4.05Å; F179-E181 PolarHBondContact O-N 3.02Å; F179-D183 WeakPolarHBondContact CD1-OD1 3.39Å; F179-D183 WeakPolarHBondContact CE1-OD1 3.46Å; F179-F187 HydrophobicContact CZ-CZ 4.42Å
180P71.9Confident80.1Confident10 Ų1066.8 Ų66.87%0.06536%0.358CS..  trans-53.3138.6174.2-22.532000110.5A149A149-P180 HydrophobicContact CB-CG 3.83Å
181E61.2Low79.6Confident192 Ų19275 Ų7590%0.89740%0.396SS*.SBendtrans-84-32.7173.4-69-177.4172.200110.6F179 D183F179-E181 PolarHBondContact O-N 3.02Å; E181-D183 PolarHBondContact O-N 3.36Å
182Q62.1Low79.4Confident159 Ų15979 Ų7974%0.74342%0.417SS*.SBendtrans-98.277173.6-69.2176.3-900109.8R184Q182-R184 PolarHBondContact O-N 3.08Å; Q182-R184 VanDerWaalsContact O-N 3.07Å
183D61.2Low79.4Confident34 Ų3478.2 Ų78.218%0.18242%0.417CS..THydrogen-bonded Turntrans-65.9-2.5-175.8-68-27.3000115.4K63 R67 F179 E181 F187K63-D183 WeakPolarHBondContact CE-OD2 3.18Å; K63-D183 IonicContact NZ-OD2 3.84Å; K63-D183 PolarHBondContact NZ-OD2 2.91Å; R67-D183 IonicContact NH2-OD2 3.54Å; F179-D183 WeakPolarHBondContact CD1-OD1 3.39Å; F179-D183 WeakPolarHBondContact CE1-OD1 3.46Å; E181-D183 PolarHBondContact O-N 3.36Å; D183-F187 WeakPolarHBondContact O-CD2 3.4Å
184R61.8Low79.5Confident215 Ų21579.6 Ų79.681%0.81143%0.43SS*.THydrogen-bonded Turntrans-81.9-51.3-169.7-64.9-174.373.8150.80.4111.3Q182 H186 F187 T188Q182-R184 PolarHBondContact O-N 3.08Å; Q182-R184 VanDerWaalsContact O-N 3.07Å; R184-H186 PolarHBondContact O-N 3.41Å; R184-F187 CarbonylContact O-C 3.54Å; R184-F187 PolarHBondContact O-N 3.02Å; R184-T188 PolarHBondContact O-N 3.02Å; R184-T188 PolarHBondContact O-OG1 3.31Å
185E68Low79.6Confident143 Ų14377.1 Ų77.167%0.66840%0.402SS*.THydrogen-bonded Turntrans-61.4-41.4-171.8-64.9-175.617500113.8F187 T188E185-F187 PolarHBondContact O-N 3.47Å; E185-T188 PolarHBondContact O-N 3.19Å
186H68.4Low79.7Confident61 Ų6175.4 Ų75.428%0.28239%0.394SS..THydrogen-bonded Turntrans-68.6-20.1179.4-68.3-58.7000113.6F146 A149 R184 L190F146-H186 AromaticContact CD2-ND1 3.87Å; A149-H186 HydrophobicContact CB-CB 4.02Å; R184-H186 PolarHBondContact O-N 3.41Å; H186-L190 WeakPolarHBondContact O-CD1 3.34Å
187F72.6Confident79.8Confident42 Ų4270.4 Ų70.418%0.18437%0.369CS..THydrogen-bonded Turntrans-111.1-6.1-177.3-63-94.1000112.6A149 Y152 A153 F157 F179 D183 R184 E185 G189 L190A149-F187 HydrophobicContact CB-CE2 4.31Å; A149-F187 HydrophobicContact CB-CZ 4.35Å; A149-F187 WeakPolarHBondContact O-CZ 3.06Å; Y152-F187 AromaticContact CD1-CE1 3.6Å; Y152-F187 HydrophobicContact CD1-CE1 3.6Å; Y152-F187 AromaticContact CD1-CZ 3.55Å; Y152-F187 HydrophobicContact CD1-CZ 3.55Å; Y152-F187 HydrophobicContact CE1-CE1 4.14Å; Y152-F187 HydrophobicContact CE1-CZ 4.23Å; A153-F187 HydrophobicContact CB-CD1 4.24Å; A153-F187 HydrophobicContact CB-CE1 3.78Å; F157-F187 HydrophobicContact CE2-CD1 4.49Å; F179-F187 HydrophobicContact CZ-CZ 4.42Å; D183-F187 WeakPolarHBondContact O-CD2 3.4Å; R184-F187 CarbonylContact O-C 3.54Å; R184-F187 PolarHBondContact O-N 3.02Å; E185-F187 PolarHBondContact O-N 3.47Å; F187-G189 PolarHBondContact O-N 2.95Å; F187-L190 HydrophobicContact CD1-CD1 4.32Å; F187-L190 PolarHBondContact O-N 2.86Å; F187-L190 VanDerWaalsContact O-N 3.08Å
188T75.4Confident79.8Confident90 Ų9072.9 Ų72.955%0.55239%0.389SS*.THydrogen-bonded Turntrans-58.6121.5175.4-58.40000110R184 E185 L190 R199R184-T188 PolarHBondContact O-N 3.02Å; R184-T188 PolarHBondContact O-OG1 3.31Å; E185-T188 PolarHBondContact O-N 3.19Å; T188-L190 VanDerWaalsContact C-N 3.34Å; T188-R199 PolarHBondContact O-NH2 2.99Å; T188-R199 VanDerWaalsContact O-NH2 3.16Å
189G75.8Confident79.9Confident52 Ų5274.5 Ų74.554%0.53639%0.388SS..THydrogen-bonded Turntrans79.39.6179.600000115F187F187-G189 PolarHBondContact O-N 2.95Å
190L85.4Confident80.3Confident14 Ų1473.8 Ų73.87%0.07338%0.384CS..  trans-90.5101.8169.8-58.2-172.6000109.3A153 F157 H186 F187 T188 A195 V196 R199A153-L190 HydrophobicContact CB-CD1 3.87Å; F157-L190 HydrophobicContact CD2-CB 4.44Å; F157-L190 WeakPolarHBondContact CE1-O 3.42Å; F157-L190 HydrophobicContact CE2-CB 3.92Å; F157-L190 HydrophobicContact CZ-CB 4.17Å; F157-L190 WeakPolarHBondContact CZ-O 3.35Å; H186-L190 WeakPolarHBondContact O-CD1 3.34Å; F187-L190 HydrophobicContact CD1-CD1 4.32Å; F187-L190 PolarHBondContact O-N 2.86Å; F187-L190 VanDerWaalsContact O-N 3.08Å; T188-L190 VanDerWaalsContact C-N 3.34Å; L190-A195 HydrophobicContact CD2-CB 4.21Å; L190-V196 HydrophobicContact CB-CG2 4.45Å; L190-V196 HydrophobicContact CD1-CG2 4.18Å; L190-V196 HydrophobicContact CD2-CG2 4.28Å; L190-R199 HydrophobicContact CD2-CB 4.21Å
191E87.8Confident81.3Confident171 Ų17177.3 Ų77.380%0.79940%0.4SS*.  trans-105.3-31.2-178.8-61.9-176.117700112.1
192D91.6Very high82.5Confident84 Ų8473 Ų7345%0.44939%0.387SS..SBendtrans-146.8-178.7-176.965.911.1000112.3A194 A195 V196D192-A194 VanDerWaalsContact C-N 3.3Å; D192-A194 PolarHBondContact O-N 3.01Å; D192-A194 PolarHBondContact OD1-N 3.09Å; D192-A194 VanDerWaalsContact OD1-N 3.16Å; D192-A195 PolarHBondContact O-N 3.26Å; D192-A195 WeakPolarHBondContact OD1-CB 3.08Å; D192-A195 PolarHBondContact OD1-N 3.13Å; D192-V196 WeakPolarHBondContact O-CG2 3.45Å; D192-V196 PolarHBondContact O-N 3.44Å
193C94.3Very high83.6Confident29 Ų2967.2 Ų67.220%0.19636%0.36CS..Hα-helixtrans-62.9-36.9178.8-169.90000112.5F157 C158 A195 V196 F197F157-C193 WeakPolarHBondContact O-CB 3.49Å; F157-C193 PolarHBondContact O-N 2.83Å; C158-C193 HydrophobicContact CB-CB 3.91Å; C158-C193 WeakPolarHBondContact CB-SG 3.48Å; C158-C193 WeakPolarHBondContact SG-CA 3.29Å; C158-C193 WeakPolarHBondContact SG-CB 3.31Å; C158-C193 CovalentContact SG-SG 2.04Å; C158-C193 PolarHBondContact SG-SG 2.87Å; C193-A195 PolarHBondContact O-N 2.84Å; C193-V196 PolarHBondContact O-N 2.8Å; C193-F197 WeakPolarHBondContact O-CD2 3.26Å; C193-F197 PolarHBondContact O-N 2.98Å
194A94.8Very high84.7Confident66 Ų6671.8 Ų71.855%0.54538%0.375SS..Hα-helixtrans-64-41.4-179.100000111.2D192 V196 F197 A198D192-A194 VanDerWaalsContact C-N 3.3Å; D192-A194 PolarHBondContact O-N 3.01Å; D192-A194 PolarHBondContact OD1-N 3.09Å; D192-A194 VanDerWaalsContact OD1-N 3.16Å; A194-V196 VanDerWaalsContact C-N 3.31Å; A194-V196 PolarHBondContact O-N 3.48Å; A194-F197 PolarHBondContact O-N 2.76Å; A194-A198 WeakPolarHBondContact O-CB 3.49Å; A194-A198 PolarHBondContact O-N 3.01Å
195A93.1Very high85.6Confident25 Ų2568.3 Ų68.321%0.20737%0.372CS..Hα-helixtrans-62.2-37.4175.100000112.4L190 D192 C193 A198 R199L190-A195 HydrophobicContact CD2-CB 4.21Å; D192-A195 PolarHBondContact O-N 3.26Å; D192-A195 WeakPolarHBondContact OD1-CB 3.08Å; D192-A195 PolarHBondContact OD1-N 3.13Å; C193-A195 PolarHBondContact O-N 2.84Å; A195-A198 PolarHBondContact O-N 3.38Å; A195-R199 PolarHBondContact O-N 3Å
196V92.9Very high86Confident0 Ų066.1 Ų66.10%036%0.36CS..Hα-helixtrans-66.6-44.5176.8-176.80000110.5A153 L154 F157 L190 D192 C193 A194 R199 L200A153-V196 HydrophobicContact CB-CG1 4.12Å; A153-V196 HydrophobicContact CB-CG2 4.24Å; L154-V196 HydrophobicContact CD2-CB 4.39Å; L154-V196 HydrophobicContact CD2-CG1 3.52Å; L154-V196 HydrophobicContact CG-CG1 3.84Å; F157-V196 HydrophobicContact CB-CG2 3.83Å; F157-V196 HydrophobicContact CD2-CG2 3.75Å; F157-V196 HydrophobicContact CG-CG2 4.06Å; L190-V196 HydrophobicContact CB-CG2 4.45Å; L190-V196 HydrophobicContact CD1-CG2 4.18Å; L190-V196 HydrophobicContact CD2-CG2 4.28Å; D192-V196 WeakPolarHBondContact O-CG2 3.45Å; D192-V196 PolarHBondContact O-N 3.44Å; C193-V196 PolarHBondContact O-N 2.8Å; A194-V196 VanDerWaalsContact C-N 3.31Å; A194-V196 PolarHBondContact O-N 3.48Å; V196-R199 WeakPolarHBondContact O-CB 3.28Å; V196-R199 PolarHBondContact O-N 2.98Å; V196-L200 PolarHBondContact O-N 3.27Å
197F94.6Very high86.1Confident20 Ų2065.3 Ų65.39%0.08836%0.355CS..Hα-helixtrans-68.1-37.6175.8-83.7-70.2000112.9L122 N123 L154 I161 C193 A194 R199 L200 E201L122-F197 HydrophobicContact CB-CE1 4.32Å; L122-F197 HydrophobicContact CB-CZ 4.45Å; N123-F197 HydrophobicContact CB-CD1 3.86Å; N123-F197 HydrophobicContact CB-CD2 4.01Å; N123-F197 HydrophobicContact CB-CE1 3.55Å; N123-F197 HydrophobicContact CB-CE2 3.67Å; N123-F197 HydrophobicContact CB-CG 4.1Å; N123-F197 HydrophobicContact CB-CZ 3.44Å; N123-F197 VanDerWaalsContact CB-CZ 3.44Å; N123-F197 WeakPolarHBondContact OD1-CE2 3.35Å; L154-F197 HydrophobicContact CD2-CD2 4.44Å; L154-F197 HydrophobicContact CD2-CE1 4.3Å; L154-F197 HydrophobicContact CD2-CE2 3.91Å; L154-F197 HydrophobicContact CD2-CZ 3.82Å; I161-F197 HydrophobicContact CD1-CE2 3.76Å; I161-F197 HydrophobicContact CD1-CZ 3.61Å; C193-F197 WeakPolarHBondContact O-CD2 3.26Å; C193-F197 PolarHBondContact O-N 2.98Å; A194-F197 PolarHBondContact O-N 2.76Å; F197-R199 VanDerWaalsContact C-N 3.26Å; F197-R199 PolarHBondContact O-N 2.93Å; F197-L200 HydrophobicContact CD1-CD1 3.71Å; F197-L200 HydrophobicContact CE1-CD1 3.85Å; F197-L200 HydrophobicContact CG-CD1 4.45Å; F197-L200 WeakPolarHBondContact O-CB 3.36Å; F197-L200 PolarHBondContact O-N 2.87Å; F197-L200 VanDerWaalsContact O-N 3.08Å; F197-E201 WeakPolarHBondContact O-CG 3.41Å; F197-E201 PolarHBondContact O-N 3.35Å
198A92.4Very high85.9Confident57 Ų5768 Ų6847%0.47137%0.368SS..Hα-helixtrans-58.8-40.3171.600000111.3A194 A195 E201 T202A194-A198 WeakPolarHBondContact O-CB 3.49Å; A194-A198 PolarHBondContact O-N 3.01Å; A195-A198 PolarHBondContact O-N 3.38Å; A198-E201 PolarHBondContact O-N 3.48Å; A198-T202 WeakPolarHBondContact O-CG2 3.3Å; A198-T202 PolarHBondContact O-N 3.29Å
199R90.3Very high85.4Confident86 Ų8666.8 Ų66.833%0.32536%0.358SS..Hα-helixtrans-65.9-36.2174-175.663.466.6124.112.2112.9L150 T188 L190 A195 V196 F197 T202 H203L150-R199 HydrophobicContact CD2-CG 4.14Å; T188-R199 PolarHBondContact O-NH2 2.99Å; T188-R199 VanDerWaalsContact O-NH2 3.16Å; L190-R199 HydrophobicContact CD2-CB 4.21Å; A195-R199 PolarHBondContact O-N 3Å; V196-R199 WeakPolarHBondContact O-CB 3.28Å; V196-R199 PolarHBondContact O-N 2.98Å; F197-R199 VanDerWaalsContact C-N 3.26Å; F197-R199 PolarHBondContact O-N 2.93Å; R199-T202 PolarHBondContact O-N 2.75Å; R199-T202 PolarHBondContact O-OG1 2.8Å; R199-H203 PolarHBondContact O-ND1 3.28Å
200L91.6Very high84.7Confident0 Ų067.4 Ų67.40%035%0.345CS..Hα-helixtrans-65-40.6173.7-75.4168.2000111.5L119 H120 L150 L154 V196 F197 T202 H203L119-L200 HydrophobicContact CB-CD2 4.04Å; L119-L200 HydrophobicContact CD2-CD2 3.88Å; L119-L200 HydrophobicContact CG-CD1 4.24Å; L119-L200 HydrophobicContact CG-CD2 4.06Å; H120-L200 HydrophobicContact CB-CB 3.99Å; L150-L200 HydrophobicContact CD1-CD2 3.43Å; L150-L200 VanDerWaalsContact CD1-CD2 3.43Å; L150-L200 HydrophobicContact CD1-CG 4.36Å; L150-L200 HydrophobicContact CD2-CD2 4.48Å; L150-L200 HydrophobicContact CG-CD2 4.37Å; L154-L200 HydrophobicContact CD1-CD1 4.31Å; L154-L200 HydrophobicContact CD2-CD1 4.03Å; V196-L200 PolarHBondContact O-N 3.27Å; F197-L200 HydrophobicContact CD1-CD1 3.71Å; F197-L200 HydrophobicContact CE1-CD1 3.85Å; F197-L200 HydrophobicContact CG-CD1 4.45Å; F197-L200 WeakPolarHBondContact O-CB 3.36Å; F197-L200 PolarHBondContact O-N 2.87Å; F197-L200 VanDerWaalsContact O-N 3.08Å; L200-T202 VanDerWaalsContact C-N 3.31Å; L200-T202 PolarHBondContact O-N 2.99Å; L200-H203 WeakPolarHBondContact O-CB 3.33Å; L200-H203 PolarHBondContact O-N 2.88Å
201E91.4Very high83.9Confident84 Ų8467.4 Ų67.439%0.39335%0.347SS..Hα-helixtrans-62.3-35.6177-71.3-71.2176.900112.2H120 F197 A198 H203 R204H120-E201 HydrophobicContact CB-CG 4.11Å; H120-E201 WeakPolarHBondContact CB-OE1 3.16Å; H120-E201 VanDerWaalsContact CD2-CD 3.49Å; H120-E201 IonicContact CD2-OE1 3.74Å; H120-E201 PolarHBondContact CD2-OE1 2.9Å; H120-E201 IonicContact CD2-OE2 3.36Å; H120-E201 IonicContact CG-OE1 3.97Å; H120-E201 IonicContact CG-OE2 2.84Å; H120-E201 IonicContact NE2-OE2 2.67Å; F197-E201 WeakPolarHBondContact O-CG 3.41Å; F197-E201 PolarHBondContact O-N 3.35Å; A198-E201 PolarHBondContact O-N 3.48Å; E201-H203 PolarHBondContact O-N 2.82Å; E201-R204 WeakPolarHBondContact O-CB 3.24Å; E201-R204 PolarHBondContact O-N 2.99Å
202T88.1Confident83.1Confident102 Ų10259.6 Ų59.663%0.62631%0.31SS*.THydrogen-bonded Turntrans-63.7-13.3174.777.70000113.6A198 R199 L200A198-T202 WeakPolarHBondContact O-CG2 3.3Å; A198-T202 PolarHBondContact O-N 3.29Å; R199-T202 PolarHBondContact O-N 2.75Å; R199-T202 PolarHBondContact O-OG1 2.8Å; L200-T202 VanDerWaalsContact C-N 3.31Å; L200-T202 PolarHBondContact O-N 2.99Å
203H84.1Confident81.6Confident36 Ų3657.1 Ų57.117%0.16731%0.305CS..THydrogen-bonded Turntrans-102-1.2178-6875000113N117 F146 R199 L200 E201 D205 K206N117-H203 VanDerWaalsContact CB-O 3.25Å; N117-H203 WeakPolarHBondContact CB-O 3.47Å; F146-H203 AromaticContact CD1-CD2 3.94Å; F146-H203 HydrophobicContact CE1-CB 4.29Å; F146-H203 AromaticContact CE1-CD2 3.22Å; F146-H203 WeakPolarHBondContact CE1-CD2 3.41Å; F146-H203 AromaticContact CE1-CE1 3.55Å; F146-H203 AromaticContact CE1-CG 3.44Å; F146-H203 VanDerWaalsContact CE1-CG 3.44Å; F146-H203 AromaticContact CE1-ND1 3.62Å; F146-H203 AromaticContact CE1-NE2 3.3Å; F146-H203 VanDerWaalsContact CE1-NE2 3.3Å; F146-H203 WeakPolarHBondContact CE1-NE2 3.21Å; F146-H203 AromaticContact CE2-CE1 3.84Å; F146-H203 AromaticContact CE2-NE2 3.82Å; F146-H203 AromaticContact CZ-CD2 3.62Å; F146-H203 AromaticContact CZ-CE1 3.06Å; F146-H203 WeakPolarHBondContact CZ-CE1 3.13Å; F146-H203 AromaticContact CZ-CG 3.77Å; F146-H203 AromaticContact CZ-ND1 3.42Å; F146-H203 WeakPolarHBondContact CZ-ND1 3.4Å; F146-H203 AromaticContact CZ-NE2 3.18Å; F146-H203 WeakPolarHBondContact CZ-NE2 3.45Å; R199-H203 PolarHBondContact O-ND1 3.28Å; L200-H203 WeakPolarHBondContact O-CB 3.33Å; L200-H203 PolarHBondContact O-N 2.88Å; E201-H203 PolarHBondContact O-N 2.82Å; H203-D205 PolarHBondContact O-N 2.93Å; H203-K206 WeakPolarHBondContact O-CB 3.3Å; H203-K206 PolarHBondContact O-N 3.47Å
204R84.5Confident79.8Confident131 Ų13158.7 Ų58.749%0.49433%0.326SS..G310 helixtrans-56.1-47.1-177.1176.5179.4169.3-170.1-4.3113N117 E201 K206N117-R204 WeakPolarHBondContact CB-O 3.31Å; N117-R204 WeakPolarHBondContact O-CA 3.3Å; E201-R204 WeakPolarHBondContact O-CB 3.24Å; E201-R204 PolarHBondContact O-N 2.99Å; R204-K206 VanDerWaalsContact C-N 3.34Å
205D81.1Confident77.9Confident142 Ų14261.9 Ų61.976%0.75933%0.334SS*.G310 helixtrans-93.87.9-172.9-57.2-42.9000113.3H203 Y207H203-D205 PolarHBondContact O-N 2.93Å; D205-Y207 PolarHBondContact O-N 3.26Å
206K76.4Confident76.4Confident96 Ų9660.8 Ų60.842%0.41733%0.325SS..G310 helixtrans-62.6-33.4-179.5-172.1178.6179.4-176.70112.5D143 H203 R204D143-K206 IonicContact OD1-NZ 3.97Å; D143-K206 PolarHBondContact OD1-NZ 2.91Å; H203-K206 WeakPolarHBondContact O-CB 3.3Å; H203-K206 PolarHBondContact O-N 3.47Å; R204-K206 VanDerWaalsContact C-N 3.34Å
207Y70.6Confident75.4Confident45 Ų4566.6 Ų66.618%0.17636%0.356CS..SBendtrans-137.6141.3175-56.2-71.2000109.1N117 D143 D205N117-Y207 PolarHBondContact ND2-O 2.78Å; D143-Y207 WeakPolarHBondContact OD2-CE2 3.48Å; D205-Y207 PolarHBondContact O-N 3.26Å
208Q67Low74.8Confident99 Ų9966.3 Ų66.346%0.46336%0.356SS..  trans-63.5146.3164-169.5-179.39.500108.9Y210 A211 E398 F399 H400Q208-Y210 PolarHBondContact O-N 3.16Å; Q208-A211 HydrophobicContact CB-CB 4Å; Q208-A211 WeakPolarHBondContact O-CA 3.36Å; Q208-A211 WeakPolarHBondContact O-CB 3.39Å; Q208-A211 PolarHBondContact O-N 2.79Å; Q208-E398 PolarHBondContact NE2-O 3.43Å; Q208-F399 PolarHBondContact NE2-O 3.13Å; Q208-H400 HydrophobicContact CG-CB 4.4Å
209N65.4Low74.6Confident63 Ų6364.6 Ų64.634%0.33734%0.34SS..THydrogen-bonded Turntrans-52.2131.2179.1-78.5-23.7000112.1N117 N118 A211 H400N117-N209 PolarHBondContact ND2-OD1 3.2Å; N118-N209 PolarHBondContact ND2-OD1 2.82Å; N118-N209 PolarHBondContact OD1-OD1 3.42Å; N118-N209 VanDerWaalsContact OD1-OD1 3.09Å; N209-A211 PolarHBondContact O-N 2.79Å; N209-A211 VanDerWaalsContact O-N 3.16Å; N209-H400 PolarHBondContact O-CD2 3.28Å
210Y62.2Low74.7Confident66 Ų6661 Ų6126%0.25933%0.327SS..THydrogen-bonded Turntrans64.10.8-174.1-59.5-85.5000116Q208 I212 Y220 Q361Q208-Y210 PolarHBondContact O-N 3.16Å; Y210-I212 PolarHBondContact O-N 2.82Å; Y210-Y220 AromaticContact CD1-CD1 3.58Å; Y210-Y220 HydrophobicContact CD1-CD1 3.58Å; Y210-Y220 HydrophobicContact CD1-CE1 4.26Å; Y210-Y220 AromaticContact CD1-CG 3.99Å; Y210-Y220 HydrophobicContact CD1-CG 3.99Å; Y210-Y220 AromaticContact CE1-CD1 3.35Å; Y210-Y220 HydrophobicContact CE1-CD1 3.35Å; Y210-Y220 AromaticContact CE1-CE1 3.65Å; Y210-Y220 HydrophobicContact CE1-CE1 3.65Å; Y210-Y220 HydrophobicContact CE1-CG 4.2Å; Y210-Q361 PolarHBondContact O-NE2 3.29Å; Y210-Q361 PolarHBondContact O-OE1 3.29Å
211A67.4Low74.9Confident13 Ų1361 Ų6111%0.10733%0.327CS..  trans-102.163.8177.700000112.3Q208 N209 H400Q208-A211 HydrophobicContact CB-CB 4Å; Q208-A211 WeakPolarHBondContact O-CA 3.36Å; Q208-A211 WeakPolarHBondContact O-CB 3.39Å; Q208-A211 PolarHBondContact O-N 2.79Å; N209-A211 PolarHBondContact O-N 2.79Å; N209-A211 VanDerWaalsContact O-N 3.16Å; A211-H400 HydrophobicContact CB-CB 3.88Å
212I70.7Confident75.1Confident7 Ų757 Ų574%0.03631%0.309CS..BIsolated β-bridgetrans-79.6141.3-177.2-58.5176000110.7F138 H140 Y210 G216 N217 V218 Y220F138-I212 HydrophobicContact CD1-CD1 3.42Å; F138-I212 VanDerWaalsContact CD1-CD1 3.42Å; F138-I212 HydrophobicContact CE1-CD1 3.61Å; F138-I212 HydrophobicContact CE1-CG2 4.35Å; H140-I212 HydrophobicContact CB-CG2 3.8Å; Y210-I212 PolarHBondContact O-N 2.82Å; I212-G216 WeakPolarHBondContact O-CA 3.29Å; I212-N217 PolarHBondContact O-N 2.95Å; I212-V218 HydrophobicContact CB-CB 4.2Å; I212-V218 HydrophobicContact CB-CG1 4.37Å; I212-V218 HydrophobicContact CG2-CB 4.21Å; I212-V218 HydrophobicContact CG2-CG1 4.23Å; I212-V218 PolarHBondContact O-N 3.25Å; I212-Y220 HydrophobicContact CD1-CD2 3.76Å
213G60.8Low75.6Confident33 Ų3352.2 Ų52.234%0.3428%0.279SS..SBendtrans90.136.1174.700000115.1N215G213-N215 PolarHBondContact O-N 2.94Å
214G55.8Low76.3Confident61 Ų6150.9 Ų50.963%0.62927%0.273SS*.SBendtrans78.4-39.6171.800000114.8
215N56.4Low76.9Confident133 Ų13344.6 Ų44.671%0.71125%0.249SC*.SBendtrans-127.212.5179.5-67.4-12.8000113.6G213 N217G213-N215 PolarHBondContact O-N 2.94Å; N215-N217 VanDerWaalsContact C-N 3.32Å; N215-N217 PolarHBondContact O-N 2.95Å
216G60.7Low77.8Confident2 Ų238 Ų382%0.02121%0.214CC..SBendtrans6730.3-175.100000113.8I212 V218 R402I212-G216 WeakPolarHBondContact O-CA 3.29Å; G216-V218 VanDerWaalsContact C-N 3.25Å; G216-R402 PolarHBondContact O-NH1 3.44Å
217N71.8Confident78.8Confident122 Ų12234 Ų3465%0.65220%0.197SC*.  trans-76.7-15.5175.8-84.51000112.8I212 N215I212-N217 PolarHBondContact O-N 2.95Å; N215-N217 VanDerWaalsContact C-N 3.32Å; N215-N217 PolarHBondContact O-N 2.95Å
218V82.1Confident80.1Confident14 Ų1432.1 Ų32.19%0.08519%0.19CC..BIsolated β-bridgetrans-101.4113.9177.7173.90000109.4F138 H172 I212 G216 Y220F138-V218 HydrophobicContact CE1-CG1 3.69Å; F138-V218 HydrophobicContact CZ-CG1 3.63Å; H172-V218 VanDerWaalsContact NE2-CG1 3.27Å; H172-V218 WeakPolarHBondContact NE2-CG1 3.5Å; I212-V218 HydrophobicContact CB-CB 4.2Å; I212-V218 HydrophobicContact CB-CG1 4.37Å; I212-V218 HydrophobicContact CG2-CB 4.21Å; I212-V218 HydrophobicContact CG2-CG1 4.23Å; I212-V218 PolarHBondContact O-N 3.25Å; G216-V218 VanDerWaalsContact C-N 3.25Å; V218-Y220 PolarHBondContact O-N 2.91Å
219S87.1Confident81.6Confident21 Ų2127.4 Ų27.415%0.14717%0.168CC..  trans-69.5123.4172.5-67.60000110.6Y82 P221Y82-S219 PolarHBondContact OH-O 2.89Å; S219-P221 WeakPolarHBondContact O-CD 3.42Å
220Y93Very high83.1Confident10 Ų1025.1 Ų25.14%0.03915%0.154CC..  trans-67.7121.4171.2-174.9-109000110.5H113 T114 F138 Y210 I212 V218 N222 L225 Q361H113-Y220 AromaticContact CE1-CE1 3.77Å; H113-Y220 AromaticContact ND1-CE1 3.45Å; H113-Y220 WeakPolarHBondContact ND1-CE1 3.44Å; H113-Y220 AromaticContact ND1-CZ 3.54Å; H113-Y220 PolarHBondContact ND1-OH 3.24Å; T114-Y220 VanDerWaalsContact C-OH 3.28Å; T114-Y220 VanDerWaalsContact CA-OH 3.22Å; T114-Y220 WeakPolarHBondContact CA-OH 3.5Å; T114-Y220 PolarHBondContact N-OH 3.26Å; F138-Y220 HydrophobicContact CB-CD2 4.05Å; F138-Y220 HydrophobicContact CB-CE2 3.77Å; F138-Y220 AromaticContact CD1-CD2 3.7Å; F138-Y220 HydrophobicContact CD1-CD2 3.7Å; F138-Y220 HydrophobicContact CD1-CE2 4.25Å; F138-Y220 HydrophobicContact CG-CD2 4.15Å; F138-Y220 HydrophobicContact CG-CE2 4.38Å; Y210-Y220 AromaticContact CD1-CD1 3.58Å; Y210-Y220 HydrophobicContact CD1-CD1 3.58Å; Y210-Y220 HydrophobicContact CD1-CE1 4.26Å; Y210-Y220 AromaticContact CD1-CG 3.99Å; Y210-Y220 HydrophobicContact CD1-CG 3.99Å; Y210-Y220 AromaticContact CE1-CD1 3.35Å; Y210-Y220 HydrophobicContact CE1-CD1 3.35Å; Y210-Y220 AromaticContact CE1-CE1 3.65Å; Y210-Y220 HydrophobicContact CE1-CE1 3.65Å; Y210-Y220 HydrophobicContact CE1-CG 4.2Å; I212-Y220 HydrophobicContact CD1-CD2 3.76Å; V218-Y220 PolarHBondContact O-N 2.91Å; Y220-N222 VanDerWaalsContact C-N 3.29Å; Y220-N222 HydrophobicContact CD1-CB 3.85Å; Y220-N222 HydrophobicContact CE1-CB 3.93Å; Y220-N222 PolarHBondContact O-N 3.37Å; Y220-N222 PolarHBondContact O-OD1 2.88Å; Y220-L225 HydrophobicContact CD1-CD1 4.31Å; Y220-L225 HydrophobicContact CD2-CD1 4.04Å; Y220-L225 HydrophobicContact CE1-CD1 3.81Å; Y220-L225 HydrophobicContact CE2-CD1 3.45Å; Y220-L225 VanDerWaalsContact CE2-CD1 3.45Å; Y220-L225 HydrophobicContact CG-CD1 4.45Å; Y220-Q361 PolarHBondContact O-N 3.46Å; Y220-Q361 VanDerWaalsContact O-N 3.11Å
221P95.8Very high84.7Confident2 Ų224.1 Ų24.11%0.01317%0.165CC..  trans-88.561.4-173.537.3-36.9000111.4Y82 F138 S219 N223 L224 L225Y82-P221 HydrophobicContact CD1-CG 4.22Å; Y82-P221 HydrophobicContact CE1-CB 4.08Å; Y82-P221 HydrophobicContact CE1-CG 3.75Å; Y82-P221 HydrophobicContact CE2-CB 3.89Å; Y82-P221 HydrophobicContact CE2-CG 4.41Å; F138-P221 HydrophobicContact CD2-CG 3.77Å; F138-P221 HydrophobicContact CE2-CG 3.89Å; F138-P221 HydrophobicContact CG-CG 4.3Å; F138-P221 HydrophobicContact CZ-CG 4.49Å; S219-P221 WeakPolarHBondContact O-CD 3.42Å; P221-N223 VanDerWaalsContact C-N 3.3Å; P221-N223 PolarHBondContact O-N 2.9Å; P221-N223 VanDerWaalsContact O-N 3.16Å; P221-L224 HydrophobicContact CB-CB 4.08Å; P221-L224 HydrophobicContact CB-CD2 4.25Å; P221-L224 HydrophobicContact CG-CD2 4.42Å; P221-L224 WeakPolarHBondContact O-CB 3.29Å; P221-L224 PolarHBondContact O-N 3.28Å; P221-L224 VanDerWaalsContact O-N 3.12Å; P221-L225 HydrophobicContact CG-CD1 4.3Å; P221-L225 HydrophobicContact CG-CG 4.21Å; P221-L225 WeakPolarHBondContact O-CG 3.48Å; P221-L225 PolarHBondContact O-N 3.39Å
222N96.2Very high86Confident0 Ų024 Ų240%017%0.165CC..Hα-helixtrans-49.1-44.8-173.554.3-75.9000113.8Y220 L225 R226 R360 Q361 N365Y220-N222 VanDerWaalsContact C-N 3.29Å; Y220-N222 HydrophobicContact CD1-CB 3.85Å; Y220-N222 HydrophobicContact CE1-CB 3.93Å; Y220-N222 PolarHBondContact O-N 3.37Å; Y220-N222 PolarHBondContact O-OD1 2.88Å; N222-L225 PolarHBondContact O-N 3.17Å; N222-R226 PolarHBondContact ND2-NH1 3.28Å; N222-R226 VanDerWaalsContact O-CG 3.27Å; N222-R226 WeakPolarHBondContact O-CG 3.19Å; N222-R226 PolarHBondContact O-N 2.75Å; N222-R360 VanDerWaalsContact OD1-CA 3.31Å; N222-R360 WeakPolarHBondContact OD1-CA 3.02Å; N222-Q361 PolarHBondContact OD1-N 2.92Å; N222-Q361 PolarHBondContact OD1-O 2.91Å; N222-N365 VanDerWaalsContact ND2-CB 3.26Å; N222-N365 WeakPolarHBondContact ND2-CB 3.38Å
223N98.1Very high87Confident0 Ų024.4 Ų24.40%017%0.167CC..Hα-helixtrans-71.8-37.2-177.6-80.81.4000113P221 L225 R226 N227 D356 N365P221-N223 VanDerWaalsContact C-N 3.3Å; P221-N223 PolarHBondContact O-N 2.9Å; P221-N223 VanDerWaalsContact O-N 3.16Å; N223-L225 VanDerWaalsContact C-N 3.32Å; N223-L225 PolarHBondContact O-N 3.21Å; N223-R226 PolarHBondContact O-N 3.26Å; N223-R226 PolarHBondContact OD1-NH1 2.96Å; N223-N227 VanDerWaalsContact O-CG 3.27Å; N223-N227 PolarHBondContact O-N 3.16Å; N223-N227 PolarHBondContact O-ND2 3.2Å; N223-D356 WeakPolarHBondContact CB-O 3.4Å; N223-D356 PolarHBondContact ND2-O 2.77Å; N223-N365 PolarHBondContact ND2-O 3.25Å
224L98.4Very high88.3Confident8 Ų828.4 Ų28.44%0.04218%0.177CC..Hα-helixtrans-59.6-45.4169.4170.563.2000110.4D77 Y82 V170 P221 R226 N227 V228 E357D77-L224 HydrophobicContact CB-CD1 4.08Å; D77-L224 HydrophobicContact CB-CD2 4.19Å; Y82-L224 HydrophobicContact CD2-CD2 3.62Å; Y82-L224 HydrophobicContact CE2-CD2 4.38Å; Y82-L224 HydrophobicContact CG-CD2 3.71Å; V170-L224 HydrophobicContact CG1-CD2 3.93Å; P221-L224 HydrophobicContact CB-CB 4.08Å; P221-L224 HydrophobicContact CB-CD2 4.25Å; P221-L224 HydrophobicContact CG-CD2 4.42Å; P221-L224 WeakPolarHBondContact O-CB 3.29Å; P221-L224 PolarHBondContact O-N 3.28Å; P221-L224 VanDerWaalsContact O-N 3.12Å; L224-R226 PolarHBondContact O-N 3.06Å; L224-N227 PolarHBondContact O-N 3.27Å; L224-V228 HydrophobicContact CD1-CG2 3.95Å; L224-V228 HydrophobicContact CG-CG2 4.33Å; L224-V228 VanDerWaalsContact O-CG2 3.3Å; L224-V228 WeakPolarHBondContact O-CG2 3.33Å; L224-V228 PolarHBondContact O-N 2.67Å; L224-E357 HydrophobicContact CB-CG 4.27Å
225L98.6Very high90.1Very high0 Ų025.7 Ų25.70%015%0.149CC..Hα-helixtrans-64.7-40.6-179.8-60.3164.6000112H113 A136 F138 V170 Y220 P221 N222 N223 N227 V228 A229H113-L225 HydrophobicContact CB-CB 3.43Å; H113-L225 VanDerWaalsContact CB-CB 3.43Å; H113-L225 HydrophobicContact CB-CD1 4.22Å; H113-L225 HydrophobicContact CB-CG 4.39Å; A136-L225 HydrophobicContact CB-CB 4.03Å; A136-L225 HydrophobicContact CB-CD2 4.09Å; A136-L225 VanDerWaalsContact CB-O 3.24Å; A136-L225 WeakPolarHBondContact CB-O 3.39Å; F138-L225 HydrophobicContact CB-CD1 3.73Å; F138-L225 HydrophobicContact CB-CD2 3.87Å; F138-L225 HydrophobicContact CB-CG 4.4Å; V170-L225 HydrophobicContact CB-CD2 3.7Å; V170-L225 HydrophobicContact CG1-CD2 4.31Å; V170-L225 HydrophobicContact CG2-CD2 3.62Å; Y220-L225 HydrophobicContact CD1-CD1 4.31Å; Y220-L225 HydrophobicContact CD2-CD1 4.04Å; Y220-L225 HydrophobicContact CE1-CD1 3.81Å; Y220-L225 HydrophobicContact CE2-CD1 3.45Å; Y220-L225 VanDerWaalsContact CE2-CD1 3.45Å; Y220-L225 HydrophobicContact CG-CD1 4.45Å; P221-L225 HydrophobicContact CG-CD1 4.3Å; P221-L225 HydrophobicContact CG-CG 4.21Å; P221-L225 WeakPolarHBondContact O-CG 3.48Å; P221-L225 PolarHBondContact O-N 3.39Å; N222-L225 PolarHBondContact O-N 3.17Å; N223-L225 VanDerWaalsContact C-N 3.32Å; N223-L225 PolarHBondContact O-N 3.21Å; L225-N227 VanDerWaalsContact C-N 3.32Å; L225-N227 PolarHBondContact O-N 3.31Å; L225-V228 PolarHBondContact O-N 3.11Å; L225-A229 WeakPolarHBondContact O-CB 3.33Å; L225-A229 PolarHBondContact O-N 2.88Å
226R98.3Very high91.8Very high4 Ų422.3 Ų22.32%0.01513%0.131CC..Hα-helixtrans-57.2-46.8171.7-71.8169.8-176.8159-5.9110.8H113 N222 N223 L224 A229 R230 V240 D242 Y355 N365H113-R226 VanDerWaalsContact CD2-CG 3.41Å; H113-R226 WeakPolarHBondContact CD2-CG 3.37Å; H113-R226 PolarHBondContact NE2-NE 2.76Å; N222-R226 PolarHBondContact ND2-NH1 3.28Å; N222-R226 VanDerWaalsContact O-CG 3.27Å; N222-R226 WeakPolarHBondContact O-CG 3.19Å; N222-R226 PolarHBondContact O-N 2.75Å; N223-R226 PolarHBondContact O-N 3.26Å; N223-R226 PolarHBondContact OD1-NH1 2.96Å; L224-R226 PolarHBondContact O-N 3.06Å; R226-A229 PolarHBondContact O-N 3.41Å; R226-R230 VanDerWaalsContact O-CB 3.28Å; R226-R230 WeakPolarHBondContact O-CB 3.36Å; R226-R230 WeakPolarHBondContact O-CG 3.45Å; R226-R230 PolarHBondContact O-N 3.34Å; R226-V240 HydrophobicContact CB-CG1 4.22Å; R226-V240 HydrophobicContact CG-CG1 3.82Å; R226-D242 IonicContact NH2-OD1 3.02Å; R226-Y355 HydrophobicContact CB-CD2 3.73Å; R226-Y355 HydrophobicContact CB-CE2 3.95Å; R226-Y355 HydrophobicContact CB-CG 4.28Å; R226-Y355 HydrophobicContact CG-CE2 4.49Å; R226-N365 PolarHBondContact NH1-OD1 2.95Å; R226-N365 PolarHBondContact NH2-OD1 3.32Å
227N98.5Very high93.5Very high12 Ų1222.9 Ų22.96%0.06413%0.132CC..Hα-helixtrans-66-39178.4-68-19.9000112.5N223 L224 L225 G231 L354 Y355 E357N223-N227 VanDerWaalsContact O-CG 3.27Å; N223-N227 PolarHBondContact O-N 3.16Å; N223-N227 PolarHBondContact O-ND2 3.2Å; L224-N227 PolarHBondContact O-N 3.27Å; L225-N227 VanDerWaalsContact C-N 3.32Å; L225-N227 PolarHBondContact O-N 3.31Å; N227-G231 PolarHBondContact O-N 2.9Å; N227-L354 HydrophobicContact CB-CD2 4.35Å; N227-Y355 PolarHBondContact ND2-O 2.98Å; N227-Y355 PolarHBondContact OD1-N 3.4Å; N227-E357 VanDerWaalsContact ND2-CG 3.31Å; N227-E357 WeakPolarHBondContact ND2-CG 3.32Å; N227-E357 PolarHBondContact ND2-OE1 3.18Å
228V98.6Very high94.7Very high5 Ų517.4 Ų17.43%0.0310%0.103CC..Hα-helixtrans-64.3-45.8176.6169.60000111.3V84 A136 H168 V170 L224 L225 G232V84-V228 HydrophobicContact CG1-CG1 3.95Å; V84-V228 HydrophobicContact CG1-CG2 3.73Å; V84-V228 HydrophobicContact CG2-CG2 4.31Å; A136-V228 HydrophobicContact CB-CB 4.17Å; A136-V228 HydrophobicContact CB-CG1 4.01Å; H168-V228 HydrophobicContact CB-CG1 3.54Å; V170-V228 HydrophobicContact CG2-CG1 4.29Å; V170-V228 HydrophobicContact CG2-CG2 4.19Å; L224-V228 HydrophobicContact CD1-CG2 3.95Å; L224-V228 HydrophobicContact CG-CG2 4.33Å; L224-V228 VanDerWaalsContact O-CG2 3.3Å; L224-V228 WeakPolarHBondContact O-CG2 3.33Å; L224-V228 PolarHBondContact O-N 2.67Å; L225-V228 PolarHBondContact O-N 3.11Å; V228-G232 PolarHBondContact O-N 2.83Å; V228-G232 VanDerWaalsContact O-N 3.15Å
229A98.4Very high95.5Very high0 Ų016.8 Ų16.80%010%0.099CC..Hα-helixtrans-66.8-46.517700000111.6A111 T112 S134 A136 L225 R226 G231 G232A111-A229 HydrophobicContact CB-CB 3.96Å; T112-A229 VanDerWaalsContact O-CB 3.3Å; T112-A229 WeakPolarHBondContact O-CB 3.36Å; S134-A229 VanDerWaalsContact CB-O 3.31Å; S134-A229 WeakPolarHBondContact CB-O 3.45Å; S134-A229 WeakPolarHBondContact OG-CA 3.31Å; S134-A229 PolarHBondContact OG-O 3.02Å; A136-A229 HydrophobicContact CB-CB 3.9Å; L225-A229 WeakPolarHBondContact O-CB 3.33Å; L225-A229 PolarHBondContact O-N 2.88Å; R226-A229 PolarHBondContact O-N 3.41Å; A229-G231 VanDerWaalsContact C-N 3.31Å; A229-G231 PolarHBondContact O-N 3.16Å; A229-G232 PolarHBondContact O-N 3.19Å
230R97Very high96.1Very high14 Ų1416 Ų165%0.0539%0.093CC..Hα-helixtrans-57.7-43175.4-73.9173.772.7-165.5-9.2112.3A111 R226 G232 T233 I238 V240 V352 P353A111-R230 HydrophobicContact CB-CG 4.15Å; R226-R230 VanDerWaalsContact O-CB 3.28Å; R226-R230 WeakPolarHBondContact O-CB 3.36Å; R226-R230 WeakPolarHBondContact O-CG 3.45Å; R226-R230 PolarHBondContact O-N 3.34Å; R230-G232 PolarHBondContact O-N 3.07Å; R230-T233 WeakPolarHBondContact O-CG2 3.29Å; R230-I238 HydrophobicContact CB-CD1 4.31Å; R230-I238 HydrophobicContact CG-CG2 4.12Å; R230-V240 HydrophobicContact CG-CG2 3.59Å; R230-V352 PolarHBondContact NH2-O 3.31Å; R230-P353 PolarHBondContact NH1-O 2.99Å
231G95.8Very high96.3Very high46 Ų4615.5 Ų15.547%0.4749%0.091SC..THydrogen-bonded Turntrans-78.3-0.1178.400000114.3N227 A229N227-G231 PolarHBondContact O-N 2.9Å; A229-G231 VanDerWaalsContact C-N 3.31Å; A229-G231 PolarHBondContact O-N 3.16Å
232G92.9Very high96.3Very high10 Ų1016.2 Ų16.210%0.10310%0.095CC..THydrogen-bonded Turntrans-88-11.9176.300000114.3H168 V228 A229 R230H168-G232 WeakPolarHBondContact CE1-CA 3.47Å; V228-G232 PolarHBondContact O-N 2.83Å; V228-G232 VanDerWaalsContact O-N 3.15Å; A229-G232 PolarHBondContact O-N 3.19Å; R230-G232 PolarHBondContact O-N 3.07Å
233T91.6Very high96.4Very high15 Ų1516.7 Ų16.79%0.09210%0.097CC..  trans-117.2150-178.6179.20000111.3A109 R230 A235 I238A109-T233 HydrophobicContact CB-CG2 3.91Å; A109-T233 VanDerWaalsContact CB-OG1 3.29Å; A109-T233 WeakPolarHBondContact CB-OG1 3.27Å; R230-T233 WeakPolarHBondContact O-CG2 3.29Å; T233-A235 PolarHBondContact OG1-N 3.4Å; T233-I238 HydrophobicContact CG2-CD1 4Å; T233-I238 HydrophobicContact CG2-CG1 4.2Å
234E89.4Confident96.2Very high118 Ų11817.8 Ų17.855%0.55110%0.103SC*.  trans-95.76.3175-63.7-55150.700113.5R350E234-R350 PolarHBondContact O-NH1 3.35Å; E234-R350 IonicContact OE2-CZ 3.53Å; E234-R350 IonicContact OE2-NH1 3.54Å; E234-R350 PolarHBondContact OE2-NH1 2.99Å; E234-R350 IonicContact OE2-NH2 3.04Å; E234-R350 PolarHBondContact OE2-NH2 3.14Å
235A92.3Very high96.1Very high4 Ų417.5 Ų17.53%0.03310%0.102CC..  trans-64.2146.4-177.800000113.4H106 A109 T233H106-A235 WeakPolarHBondContact O-CA 3.45Å; H106-A235 WeakPolarHBondContact O-CB 3.34Å; A109-A235 HydrophobicContact CB-CB 3.49Å; A109-A235 VanDerWaalsContact CB-CB 3.49Å; T233-A235 PolarHBondContact OG1-N 3.4Å
236N92.6Very high96Very high62 Ų6218 Ų1833%0.33211%0.106SC..SBendtrans-70.7-37179.9-73.2-20.6000112.4H106 F107 H349 R350H106-N236 PolarHBondContact O-N 3.38Å; F107-N236 HydrophobicContact CD1-CB 4.46Å; N236-H349 CarbonylContact O-C 3.45Å; N236-H349 VanDerWaalsContact O-CA 3.3Å; N236-H349 WeakPolarHBondContact O-CA 3.29Å; N236-H349 PolarHBondContact O-CD2 2.59Å; N236-R350 PolarHBondContact O-N 2.87Å
237Y96.8Very high96Very high14 Ų1417.8 Ų17.86%0.05511%0.105CC..EExtended strand (participates in β ladder)trans-117.3143.8175.3-65.8-91.2000110.3F107 L108 A109 F255 V259 P264 F270 I347 G348 H349F107-Y237 HydrophobicContact CD1-CD2 4.48Å; F107-Y237 WeakPolarHBondContact O-CA 3.49Å; F107-Y237 VanDerWaalsContact O-CB 3.31Å; F107-Y237 WeakPolarHBondContact O-CB 3.32Å; F107-Y237 PolarHBondContact O-N 2.94Å; L108-Y237 WeakPolarHBondContact CA-O 3.36Å; L108-Y237 WeakPolarHBondContact CD1-O 3.29Å; A109-Y237 PolarHBondContact N-O 3.47Å; Y237-F255 AromaticContact CD1-CE1 3.98Å; Y237-F255 HydrophobicContact CD1-CE1 3.98Å; Y237-F255 AromaticContact CD1-CZ 3.79Å; Y237-F255 HydrophobicContact CD1-CZ 3.79Å; Y237-F255 AromaticContact CD2-CE1 3.88Å; Y237-F255 HydrophobicContact CD2-CE1 3.88Å; Y237-F255 HydrophobicContact CD2-CZ 4.44Å; Y237-F255 HydrophobicContact CE1-CZ 4.23Å; Y237-F255 AromaticContact CG-CE1 3.59Å; Y237-F255 HydrophobicContact CG-CE1 3.59Å; Y237-F255 AromaticContact CG-CZ 3.91Å; Y237-F255 HydrophobicContact CG-CZ 3.91Å; Y237-V259 HydrophobicContact CE2-CG1 4.25Å; Y237-P264 WeakPolarHBondContact OH-CD 3.34Å; Y237-F270 HydrophobicContact CE1-CE2 4.16Å; Y237-I347 HydrophobicContact CD1-CG2 4.2Å; Y237-I347 HydrophobicContact CG-CG2 4.38Å; Y237-G348 WeakPolarHBondContact CA-O 3.39Å; Y237-H349 HydrophobicContact CD1-CB 4.37Å; Y237-H349 HydrophobicContact CE1-CB 4.12Å
238I97.9Very high96Very high7 Ų717.4 Ų17.44%0.03610%0.103CC..EExtended strand (participates in β ladder)trans-133.8128.5-176.6-52.7169.7000108.9A109 A111 R230 T233 V240 G348 R350A109-I238 WeakPolarHBondContact O-CA 3.21Å; A111-I238 HydrophobicContact CB-CG2 3.73Å; R230-I238 HydrophobicContact CB-CD1 4.31Å; R230-I238 HydrophobicContact CG-CG2 4.12Å; T233-I238 HydrophobicContact CG2-CD1 4Å; T233-I238 HydrophobicContact CG2-CG1 4.2Å; I238-V240 HydrophobicContact CG2-CG2 4.09Å; I238-G348 PolarHBondContact N-O 2.95Å; I238-G348 PolarHBondContact O-N 3.41Å; I238-G348 VanDerWaalsContact O-N 3.17Å; I238-R350 HydrophobicContact CD1-CB 4.16Å
239L98.5Very high95.8Very high0 Ų017.9 Ų17.90%011%0.108CC..EExtended strand (participates in β ladder)trans-95.7127.5166177.253.6000108.6L108 A109 L110 A111 I241 P247 L251 L272 Y346 I347L108-L239 HydrophobicContact CD1-CB 4.4Å; A109-L239 PolarHBondContact O-N 2.83Å; L110-L239 HydrophobicContact CD1-CB 3.8Å; L110-L239 HydrophobicContact CD1-CD2 3.8Å; L110-L239 HydrophobicContact CD1-CG 3.61Å; L110-L239 WeakPolarHBondContact CD1-O 3.22Å; A111-L239 PolarHBondContact N-O 2.68Å; L239-I241 HydrophobicContact CD1-CG2 3.82Å; L239-I241 HydrophobicContact CD2-CG2 4.21Å; L239-I241 HydrophobicContact CG-CG2 3.82Å; L239-P247 HydrophobicContact CD2-CB 4.42Å; L239-L251 HydrophobicContact CD2-CD2 3.67Å; L239-L272 HydrophobicContact CD2-CD2 4.44Å; L239-Y346 WeakPolarHBondContact CD1-O 3.39Å; L239-I347 HydrophobicContact CB-CG1 3.99Å; L239-I347 HydrophobicContact CD1-CG1 4.1Å; L239-I347 HydrophobicContact CG-CG1 4.41Å
240V98.6Very high95.6Very high4 Ų422.8 Ų22.82%0.02413%0.134CC..EExtended strand (participates in β ladder)trans-112.8109.8177.9-173.30000110.2A111 R226 R230 I238 Y355 R366A111-V240 HydrophobicContact CB-CG2 4.32Å; A111-V240 WeakPolarHBondContact O-CA 3.18Å; R226-V240 HydrophobicContact CB-CG1 4.22Å; R226-V240 HydrophobicContact CG-CG1 3.82Å; R230-V240 HydrophobicContact CG-CG2 3.59Å; I238-V240 HydrophobicContact CG2-CG2 4.09Å; V240-Y355 HydrophobicContact CG1-CE2 4.42Å; V240-Y355 HydrophobicContact CG2-CE2 4.44Å; V240-R366 PolarHBondContact O-NH1 3.17Å; V240-R366 PolarHBondContact O-NH2 2.97Å
241I98Very high95.6Very high0 Ų022.2 Ų22.20%013%0.132CC..EExtended strand (participates in β ladder)trans-127.3157.6178.770.3-179.7000111.7L110 A111 T112 L125 L239 M245 F345 V388L110-I241 HydrophobicContact CD1-CD1 3.8Å; L110-I241 HydrophobicContact CD1-CG1 3.72Å; L110-I241 HydrophobicContact CD1-CG2 4.41Å; L110-I241 HydrophobicContact CD2-CD1 3.97Å; L110-I241 HydrophobicContact CD2-CG1 4.42Å; L110-I241 HydrophobicContact CG-CD1 4.41Å; L110-I241 HydrophobicContact CG-CG1 4.4Å; A111-I241 PolarHBondContact O-N 3.49Å; A111-I241 VanDerWaalsContact O-N 3.16Å; T112-I241 WeakPolarHBondContact CA-O 2.94Å; T112-I241 VanDerWaalsContact CB-O 3.29Å; T112-I241 WeakPolarHBondContact CB-O 3.36Å; T112-I241 PolarHBondContact OG1-O 2.88Å; L125-I241 HydrophobicContact CD1-CD1 4.02Å; L239-I241 HydrophobicContact CD1-CG2 3.82Å; L239-I241 HydrophobicContact CD2-CG2 4.21Å; L239-I241 HydrophobicContact CG-CG2 3.82Å; I241-M245 HydrophobicContact CB-CB 4.05Å; I241-M245 HydrophobicContact CB-CG 4.46Å; I241-M245 HydrophobicContact CD1-CB 4.05Å; I241-M245 HydrophobicContact CG1-CB 4.32Å; I241-F345 HydrophobicContact CG2-CD1 4.04Å; I241-F345 HydrophobicContact CG2-CE1 4.5Å; I241-V388 HydrophobicContact CG2-CG1 4.08Å
242D96.5Very high95.6Very high18 Ų1820.4 Ų20.410%0.09611%0.111CC..EExtended strand (participates in β ladder)trans-73.6149.9172.6-57.46.5000108.5H113 R226 D244 M245 R366H113-D242 IonicContact NE2-OD1 3.36Å; R226-D242 IonicContact NH2-OD1 3.02Å; D242-D244 WeakPolarHBondContact CB-OD1 3.31Å; D242-D244 PolarHBondContact O-N 2.89Å; D242-D244 VanDerWaalsContact O-N 3.13Å; D242-M245 HydrophobicContact CB-CG 3.92Å; D242-M245 VanDerWaalsContact O-CB 3.29Å; D242-M245 WeakPolarHBondContact O-CB 3.5Å; D242-M245 WeakPolarHBondContact O-CG 3.25Å; D242-M245 PolarHBondContact O-N 2.83Å; D242-R366 IonicContact OD1-CZ 3.59Å; D242-R366 IonicContact OD1-NE 3.27Å; D242-R366 IonicContact OD1-NH2 3.65Å; D242-R366 PolarHBondContact OD1-NH2 2.96Å
243I96.9Very high95.6Very high9 Ų924.3 Ų24.35%0.04613%0.127CC..THydrogen-bonded Turntrans-62.9-22.9-169.4-166.770.4000113.8T112 N118 H121 L122 L125 M245T112-I243 HydrophobicContact CG2-CD1 3.5Å; T112-I243 WeakPolarHBondContact OG1-CA 3.46Å; T112-I243 PolarHBondContact OG1-N 2.63Å; N118-I243 HydrophobicContact CB-CG2 3.95Å; H121-I243 HydrophobicContact CB-CG1 4Å; H121-I243 HydrophobicContact CB-CG2 4.47Å; H121-I243 WeakPolarHBondContact CB-O 3.46Å; L122-I243 HydrophobicContact CB-CD1 4.48Å; L122-I243 HydrophobicContact CD1-CD1 4.29Å; L125-I243 HydrophobicContact CD2-CD1 3.9Å; I243-M245 VanDerWaalsContact C-N 3.34Å
244D94.1Very high95.8Very high23 Ų2326.3 Ų26.312%0.12314%0.135CC..THydrogen-bonded Turntrans-90.45179.556.8-3.4000113.3D242 H390 K391 K394D242-D244 WeakPolarHBondContact CB-OD1 3.31Å; D242-D244 PolarHBondContact O-N 2.89Å; D242-D244 VanDerWaalsContact O-N 3.13Å; D244-H390 IonicContact OD1-CD2 3.13Å; D244-H390 IonicContact OD2-CD2 3.79Å; D244-H390 IonicContact OD2-NE2 3.04Å; D244-H390 PolarHBondContact OD2-NE2 3.4Å; D244-K391 PolarHBondContact O-N 2.69Å; D244-K394 IonicContact OD2-NZ 3.56Å
245M96.6Very high96.1Very high3 Ų320.7 Ų20.72%0.01511%0.109CC..EExtended strand (participates in β ladder)trans-96.6146.3175.4-57.3-74.7-69.200111.1I241 D242 I243 F302 F345 V388 V389 H390I241-M245 HydrophobicContact CB-CB 4.05Å; I241-M245 HydrophobicContact CB-CG 4.46Å; I241-M245 HydrophobicContact CD1-CB 4.05Å; I241-M245 HydrophobicContact CG1-CB 4.32Å; D242-M245 HydrophobicContact CB-CG 3.92Å; D242-M245 VanDerWaalsContact O-CB 3.29Å; D242-M245 WeakPolarHBondContact O-CB 3.5Å; D242-M245 WeakPolarHBondContact O-CG 3.25Å; D242-M245 PolarHBondContact O-N 2.83Å; I243-M245 VanDerWaalsContact C-N 3.34Å; M245-F302 HydrophobicContact SD-CE2 4.27Å; M245-F345 HydrophobicContact CE-CE1 3.94Å; M245-F345 HydrophobicContact CE-CE2 4.06Å; M245-F345 HydrophobicContact CE-CZ 3.68Å; M245-F345 HydrophobicContact CG-CE1 4.46Å; M245-F345 HydrophobicContact SD-CZ 4.38Å; M245-V388 HydrophobicContact CE-CB 3.88Å; M245-V388 HydrophobicContact CE-CG2 3.5Å; M245-V389 CarbonylContact C-O 3.59Å; M245-V389 WeakPolarHBondContact CA-O 3.26Å; M245-H390 HydrophobicContact CE-CB 4.32Å; M245-H390 VanDerWaalsContact SD-CA 3.51Å; M245-H390 HydrophobicContact SD-CB 3.38Å; M245-H390 WeakPolarHBondContact SD-CB 3.11Å
246A97.1Very high96.2Very high9 Ų922.1 Ų22.17%0.07412%0.116CC..EExtended strand (participates in β ladder)trans-119.4126.4172.800000110.7R128 M283 V388 V389R128-A246 HydrophobicContact CG-CB 4.44Å; A246-M283 HydrophobicContact CB-CG 4Å; A246-M283 HydrophobicContact CB-SD 4.21Å; A246-V388 CarbonylContact O-C 3.56Å; A246-V388 WeakPolarHBondContact O-CA 3.25Å; A246-V389 PolarHBondContact N-O 3.11Å; A246-V389 PolarHBondContact O-N 2.84Å
247P98.3Very high96.2Very high1 Ų121.5 Ų21.51%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-72.2160.8169.230.8-33.3000111.3R128 W129 L239 L251 F387 V388R128-P247 VanDerWaalsContact CD-O 3.29Å; R128-P247 WeakPolarHBondContact CD-O 3.37Å; R128-P247 HydrophobicContact CG-CG 4.12Å; R128-P247 WeakPolarHBondContact CG-O 3.44Å; W129-P247 HydrophobicContact CE3-CG 4.1Å; L239-P247 HydrophobicContact CD2-CB 4.42Å; P247-L251 HydrophobicContact CB-CD2 3.73Å; P247-F387 CarbonylContact C-O 3.54Å; P247-F387 WeakPolarHBondContact CA-O 3.16Å; P247-V388 HydrophobicContact CB-CG1 4.4Å
248S97.3Very high96.1Very high4 Ų420.9 Ų20.93%0.02812%0.117CC..PPolyproline II helixtrans-53.8148.4165.959.30000111L251 F387S248-L251 WeakPolarHBondContact O-CB 3.11Å; S248-F387 VanDerWaalsContact CB-CE1 3.43Å; S248-F387 PolarHBondContact N-O 2.54Å
249A96Very high95.9Very high15 Ų1521.1 Ų21.112%0.12412%0.119CC..THydrogen-bonded Turntrans-60.3149.717900000111.7L251 Q254 A285A249-L251 PolarHBondContact O-N 2.94Å; A249-Q254 PolarHBondContact O-NE2 3.4Å; A249-Q254 VanDerWaalsContact O-NE2 3.17Å; A249-A285 HydrophobicContact CB-CB 3.78Å; A249-A285 PolarHBondContact N-O 3.36Å
250D94.3Very high95.5Very high103 Ų10327.3 Ų27.355%0.55115%0.149SC*.THydrogen-bonded Turntrans56.419.1176.2-48-44.4000114.9H252 Q253 Q254D250-H252 PolarHBondContact O-N 3.42Å; D250-Q253 PolarHBondContact O-N 3.28Å; D250-Q253 PolarHBondContact O-OE1 3.3Å; D250-Q254 WeakPolarHBondContact O-CB 3.38Å; D250-Q254 WeakPolarHBondContact O-CG 3.38Å; D250-Q254 PolarHBondContact O-N 3.06Å
251L96.4Very high95.2Very high2 Ų233.7 Ų33.71%0.0117%0.173CC..Hα-helixtrans-56.3-37.2-178.8175.461.2000111.9W129 L239 P247 S248 A249 F255 L272 L330 I347 A386W129-L251 HydrophobicContact CZ3-CB 4.26Å; W129-L251 HydrophobicContact CZ3-CD2 4.39Å; W129-L251 HydrophobicContact CZ3-CG 4.42Å; L239-L251 HydrophobicContact CD2-CD2 3.67Å; P247-L251 HydrophobicContact CB-CD2 3.73Å; S248-L251 WeakPolarHBondContact O-CB 3.11Å; A249-L251 PolarHBondContact O-N 2.94Å; L251-F255 WeakPolarHBondContact O-CB 3.43Å; L251-F255 PolarHBondContact O-N 3.1Å; L251-L272 HydrophobicContact CD1-CD2 4.39Å; L251-L272 HydrophobicContact CD2-CD2 3.61Å; L251-L330 HydrophobicContact CD1-CD2 4.33Å; L251-I347 HydrophobicContact CD1-CD1 4.25Å; L251-I347 HydrophobicContact CD2-CD1 4.43Å; L251-I347 HydrophobicContact CG-CD1 4.48Å; L251-A386 HydrophobicContact CD1-CB 3.5Å
252H95.4Very high94.9Very high7 Ų737.1 Ų37.13%0.03219%0.186CC..Hα-helixtrans-59.3-55.1178.5-179-87.2000111.7L108 W129 N131 D250 F255 L256L108-H252 PolarHBondContact O-CD2 3.1Å; L108-H252 PolarHBondContact O-NE2 2.97Å; L108-H252 VanDerWaalsContact O-NE2 3.1Å; W129-H252 HydrophobicContact CH2-CB 3.7Å; W129-H252 AromaticContact CH2-CD2 3.99Å; W129-H252 HydrophobicContact CZ2-CB 4.17Å; W129-H252 AromaticContact CZ2-CD2 3.83Å; W129-H252 HydrophobicContact CZ3-CB 3.98Å; N131-H252 HydrophobicContact CB-CB 4.24Å; N131-H252 VanDerWaalsContact ND2-CB 3.33Å; N131-H252 WeakPolarHBondContact ND2-CB 3.49Å; N131-H252 PolarHBondContact OD1-CE1 2.75Å; N131-H252 PolarHBondContact OD1-ND1 3.07Å; D250-H252 PolarHBondContact O-N 3.42Å; H252-F255 PolarHBondContact O-N 2.88Å; H252-L256 WeakPolarHBondContact O-CB 3.34Å; H252-L256 PolarHBondContact O-N 2.94Å
253Q93.9Very high94.5Very high92 Ų9245.4 Ų45.443%0.4322%0.224SC..Hα-helixtrans-67.1-40.4-177.5-64.580.9-300111.3N131 D250 L256 A257N131-Q253 PolarHBondContact ND2-NE2 2.87Å; D250-Q253 PolarHBondContact O-N 3.28Å; D250-Q253 PolarHBondContact O-OE1 3.3Å; Q253-L256 PolarHBondContact O-N 3.39Å; Q253-A257 WeakPolarHBondContact O-CB 3.44Å; Q253-A257 PolarHBondContact O-N 2.85Å
254Q94.7Very high94.3Very high57 Ų5745.6 Ų45.627%0.26623%0.226SC..Hα-helixtrans-64.2-40.7176.3-75.1-176.26000112.3A249 D250 A257 L258 L330A249-Q254 PolarHBondContact O-NE2 3.4Å; A249-Q254 VanDerWaalsContact O-NE2 3.17Å; D250-Q254 WeakPolarHBondContact O-CB 3.38Å; D250-Q254 WeakPolarHBondContact O-CG 3.38Å; D250-Q254 PolarHBondContact O-N 3.06Å; Q254-A257 PolarHBondContact O-N 2.83Å; Q254-L258 PolarHBondContact O-N 3.18Å; Q254-L330 HydrophobicContact CB-CB 3.88Å; Q254-L330 HydrophobicContact CB-CD2 4.04Å
255F95.8Very high94.3Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-69.4-40.7176.5-173-96.4000112.1L108 Y237 L251 H252 A257 L258 V259 F270 L330 I347L108-F255 HydrophobicContact CB-CD1 4.12Å; L108-F255 HydrophobicContact CD2-CB 3.72Å; L108-F255 HydrophobicContact CD2-CD1 3.66Å; L108-F255 HydrophobicContact CD2-CG 3.8Å; L108-F255 HydrophobicContact CG-CD1 4.32Å; Y237-F255 AromaticContact CD1-CE1 3.98Å; Y237-F255 HydrophobicContact CD1-CE1 3.98Å; Y237-F255 AromaticContact CD1-CZ 3.79Å; Y237-F255 HydrophobicContact CD1-CZ 3.79Å; Y237-F255 AromaticContact CD2-CE1 3.88Å; Y237-F255 HydrophobicContact CD2-CE1 3.88Å; Y237-F255 HydrophobicContact CD2-CZ 4.44Å; Y237-F255 HydrophobicContact CE1-CZ 4.23Å; Y237-F255 AromaticContact CG-CE1 3.59Å; Y237-F255 HydrophobicContact CG-CE1 3.59Å; Y237-F255 AromaticContact CG-CZ 3.91Å; Y237-F255 HydrophobicContact CG-CZ 3.91Å; L251-F255 WeakPolarHBondContact O-CB 3.43Å; L251-F255 PolarHBondContact O-N 3.1Å; H252-F255 PolarHBondContact O-N 2.88Å; F255-A257 VanDerWaalsContact C-N 3.32Å; F255-A257 PolarHBondContact O-N 2.98Å; F255-L258 HydrophobicContact CD2-CD2 4.42Å; F255-L258 WeakPolarHBondContact O-CB 3.31Å; F255-L258 PolarHBondContact O-N 3.38Å; F255-L258 VanDerWaalsContact O-N 3.15Å; F255-V259 HydrophobicContact CD1-CG1 4.06Å; F255-V259 HydrophobicContact CE1-CG1 3.51Å; F255-V259 HydrophobicContact CE2-CG1 4.24Å; F255-V259 HydrophobicContact CZ-CG1 3.61Å; F255-V259 PolarHBondContact O-N 3.47Å; F255-F270 HydrophobicContact CE2-CB 4.19Å; F255-F270 HydrophobicContact CE2-CD1 4.23Å; F255-F270 AromaticContact CE2-CD2 3.49Å; F255-F270 HydrophobicContact CE2-CD2 3.49Å; F255-F270 VanDerWaalsContact CE2-CD2 3.49Å; F255-F270 HydrophobicContact CE2-CE1 4.41Å; F255-F270 AromaticContact CE2-CE2 3.76Å; F255-F270 HydrophobicContact CE2-CE2 3.76Å; F255-F270 AromaticContact CE2-CG 3.72Å; F255-F270 HydrophobicContact CE2-CG 3.72Å; F255-F270 HydrophobicContact CE2-CZ 4.19Å; F255-F270 AromaticContact CZ-CD2 3.68Å; F255-F270 HydrophobicContact CZ-CD2 3.68Å; F255-F270 AromaticContact CZ-CE2 3.69Å; F255-F270 HydrophobicContact CZ-CE2 3.69Å; F255-F270 HydrophobicContact CZ-CG 4.38Å; F255-F270 HydrophobicContact CZ-CZ 4.38Å; F255-L330 HydrophobicContact CB-CD2 4.14Å; F255-L330 HydrophobicContact CD2-CD2 4.32Å; F255-I347 HydrophobicContact CB-CD1 4.47Å; F255-I347 HydrophobicContact CD1-CG2 4.44Å; F255-I347 HydrophobicContact CD2-CD1 3.56Å; F255-I347 HydrophobicContact CD2-CG2 4.45Å; F255-I347 HydrophobicContact CE1-CG2 3.84Å; F255-I347 HydrophobicContact CE2-CB 4.19Å; F255-I347 HydrophobicContact CE2-CD1 3.89Å; F255-I347 HydrophobicContact CE2-CG2 3.85Å; F255-I347 HydrophobicContact CG-CD1 3.97Å; F255-I347 HydrophobicContact CZ-CB 4.31Å; F255-I347 HydrophobicContact CZ-CG2 3.5Å
256L93.7Very high94.1Very high34 Ų3450.2 Ų50.218%0.17826%0.259CS..Hα-helixtrans-56.5-47.7172.3178.662.6000110.9S104 F107 H252 Q253 L258 V259 M260S104-L256 WeakPolarHBondContact O-CD2 3.31Å; F107-L256 HydrophobicContact CB-CD1 3.83Å; F107-L256 HydrophobicContact CD2-CD1 3.61Å; F107-L256 HydrophobicContact CE2-CD1 4.39Å; F107-L256 HydrophobicContact CG-CD1 3.83Å; H252-L256 WeakPolarHBondContact O-CB 3.34Å; H252-L256 PolarHBondContact O-N 2.94Å; Q253-L256 PolarHBondContact O-N 3.39Å; L256-L258 VanDerWaalsContact C-N 3.29Å; L256-L258 PolarHBondContact O-N 2.89Å; L256-V259 HydrophobicContact CD1-CG2 4.42Å; L256-V259 WeakPolarHBondContact O-CG2 3.43Å; L256-V259 PolarHBondContact O-N 3.48Å; L256-M260 HydrophobicContact CD1-CG 4.04Å; L256-M260 HydrophobicContact CG-CG 4.35Å; L256-M260 WeakPolarHBondContact O-CB 3.23Å; L256-M260 WeakPolarHBondContact O-CG 3.44Å; L256-M260 PolarHBondContact O-N 3.29Å
257A93.4Very high94.1Very high49 Ų4952.8 Ų52.841%0.40527%0.272SS..Hα-helixtrans-61-36.517700000112.8Q253 Q254 F255 R261Q253-A257 WeakPolarHBondContact O-CB 3.44Å; Q253-A257 PolarHBondContact O-N 2.85Å; Q254-A257 PolarHBondContact O-N 2.83Å; F255-A257 VanDerWaalsContact C-N 3.32Å; F255-A257 PolarHBondContact O-N 2.98Å; A257-R261 WeakPolarHBondContact O-CB 3.13Å; A257-R261 WeakPolarHBondContact O-CG 3.47Å; A257-R261 PolarHBondContact O-N 3.12Å; A257-R261 VanDerWaalsContact O-N 3.09Å
258L94.4Very high94Very high1 Ų153.2 Ų53.21%0.00527%0.274CS..Hα-helixtrans-62.8-51.4174.4174.460.2000111.4Q254 F255 L256 M260 R261 R262 F270 L330 L383Q254-L258 PolarHBondContact O-N 3.18Å; F255-L258 HydrophobicContact CD2-CD2 4.42Å; F255-L258 WeakPolarHBondContact O-CB 3.31Å; F255-L258 PolarHBondContact O-N 3.38Å; F255-L258 VanDerWaalsContact O-N 3.15Å; L256-L258 VanDerWaalsContact C-N 3.29Å; L256-L258 PolarHBondContact O-N 2.89Å; L258-M260 VanDerWaalsContact C-N 3.3Å; L258-M260 PolarHBondContact O-N 2.99Å; L258-R261 PolarHBondContact O-N 3.16Å; L258-R262 HydrophobicContact CD1-CG 4.13Å; L258-R262 PolarHBondContact O-N 3.36Å; L258-F270 HydrophobicContact CD2-CD1 4.21Å; L258-F270 HydrophobicContact CD2-CE1 3.8Å; L258-F270 HydrophobicContact CD2-CZ 4.5Å; L258-L330 HydrophobicContact CD2-CD2 4.24Å; L258-L330 HydrophobicContact CD2-CG 4.31Å; L258-L383 HydrophobicContact CD2-CD2 3.68Å
259V93.1Very high94.1Very high13 Ų1353 Ų538%0.07927%0.273CS..Hα-helixtrans-72.5-22.9-176.9-56.20000113.4F107 Y237 F255 L256 R262 P264F107-V259 HydrophobicContact CD1-CG2 4.16Å; Y237-V259 HydrophobicContact CE2-CG1 4.25Å; F255-V259 HydrophobicContact CD1-CG1 4.06Å; F255-V259 HydrophobicContact CE1-CG1 3.51Å; F255-V259 HydrophobicContact CE2-CG1 4.24Å; F255-V259 HydrophobicContact CZ-CG1 3.61Å; F255-V259 PolarHBondContact O-N 3.47Å; L256-V259 HydrophobicContact CD1-CG2 4.42Å; L256-V259 WeakPolarHBondContact O-CG2 3.43Å; L256-V259 PolarHBondContact O-N 3.48Å; V259-R262 CarbonylContact C-O 3.53Å; V259-R262 VanDerWaalsContact C-O 3.3Å; V259-R262 VanDerWaalsContact CA-O 3.26Å; V259-R262 WeakPolarHBondContact CA-O 3.09Å; V259-R262 CarbonylContact O-C 3.46Å; V259-P264 HydrophobicContact CB-CG 4.22Å; V259-P264 HydrophobicContact CG1-CG 3.75Å
260M90.4Very high94.2Very high130 Ų13052.3 Ų52.364%0.6427%0.267SS*.Hα-helixtrans-75.9-31.6170.9-69.2-59.8-62.400112.3L256 L258L256-M260 HydrophobicContact CD1-CG 4.04Å; L256-M260 HydrophobicContact CG-CG 4.35Å; L256-M260 WeakPolarHBondContact O-CB 3.23Å; L256-M260 WeakPolarHBondContact O-CG 3.44Å; L256-M260 PolarHBondContact O-N 3.29Å; L258-M260 VanDerWaalsContact C-N 3.3Å; L258-M260 PolarHBondContact O-N 2.99Å
261R92.8Very high94.4Very high138 Ų13847.4 Ų47.452%0.52124%0.24SC..Hα-helixtrans-75.8-33.9174.7-85.1173.952.4-127.8-4.5113A257 L258 L330 D331A257-R261 WeakPolarHBondContact O-CB 3.13Å; A257-R261 WeakPolarHBondContact O-CG 3.47Å; A257-R261 PolarHBondContact O-N 3.12Å; A257-R261 VanDerWaalsContact O-N 3.09Å; L258-R261 PolarHBondContact O-N 3.16Å; R261-L330 PolarHBondContact NH1-O 3.28Å; R261-D331 IonicContact CZ-OD2 3.21Å; R261-D331 IonicContact NH1-OD2 2.72Å; R261-D331 IonicContact NH2-OD2 3.71Å; R261-D331 PolarHBondContact NH2-OD2 3.31Å
262R91.8Very high94.5Very high71 Ų7147.4 Ų47.427%0.26824%0.24SC..SBendtrans-139.7127.4179.180-176-156.1147.522.1108.7L258 V259 P264 E268 V332L258-R262 HydrophobicContact CD1-CG 4.13Å; L258-R262 PolarHBondContact O-N 3.36Å; V259-R262 CarbonylContact C-O 3.53Å; V259-R262 VanDerWaalsContact C-O 3.3Å; V259-R262 VanDerWaalsContact CA-O 3.26Å; V259-R262 WeakPolarHBondContact CA-O 3.09Å; V259-R262 CarbonylContact O-C 3.46Å; R262-P264 WeakPolarHBondContact O-CD 3.32Å; R262-E268 IonicContact CZ-OE1 2.89Å; R262-E268 IonicContact NH1-OE1 3.48Å; R262-E268 IonicContact NH2-OE1 3.02Å; R262-E268 PolarHBondContact NH2-OE1 2.98Å; R262-E268 IonicContact NH2-OE2 3.77Å; R262-E268 PolarHBondContact NH2-OE2 3.22Å; R262-V332 VanDerWaalsContact CZ-CG2 3.46Å
263E88.6Confident94.6Very high193 Ų19347 Ų4790%0.90224%0.239SC*.  trans-77.3108.1172.8-169.9175.2179.600109
264P92Very high94.8Very high12 Ų1242.7 Ų42.78%0.07822%0.218CC..  trans-77.6143.8-178-8.127.4000110.4Y237 V259 R262 F270Y237-P264 WeakPolarHBondContact OH-CD 3.34Å; V259-P264 HydrophobicContact CB-CG 4.22Å; V259-P264 HydrophobicContact CG1-CG 3.75Å; R262-P264 WeakPolarHBondContact O-CD 3.32Å; P264-F270 HydrophobicContact CB-CE2 3.95Å; P264-F270 HydrophobicContact CB-CZ 3.61Å; P264-F270 HydrophobicContact CG-CE2 4.01Å; P264-F270 HydrophobicContact CG-CZ 3.58Å
265A93.6Very high95Very high43 Ų4340 Ų4036%0.35521%0.206SC..  trans-61.2146.6171.100000110.7D267 E268A265-D267 WeakPolarHBondContact CB-OD1 3.26Å; A265-D267 PolarHBondContact O-N 3.03Å; A265-D267 VanDerWaalsContact O-N 3.14Å; A265-E268 WeakPolarHBondContact O-CB 3.27Å; A265-E268 PolarHBondContact O-N 2.75Å
266T93.2Very high95.1Very high80 Ų8040 Ų4049%0.49121%0.206SC..THydrogen-bonded Turntrans-64.3-19.2179.9540000113.2E268 Y378T266-E268 VanDerWaalsContact C-N 3.34Å; T266-Y378 WeakPolarHBondContact O-CE1 3.39Å
267D96.3Very high95.2Very high63 Ų6338.5 Ų38.534%0.33720%0.198SC..THydrogen-bonded Turntrans-91.311.1175.471.5-9.3000113.3A265 Y378 R379A265-D267 WeakPolarHBondContact CB-OD1 3.26Å; A265-D267 PolarHBondContact O-N 3.03Å; A265-D267 VanDerWaalsContact O-N 3.14Å; D267-Y378 VanDerWaalsContact C-CD1 3.49Å; D267-Y378 HydrophobicContact CB-CD1 4.38Å; D267-Y378 CarbonylContact O-C 3.35Å; D267-Y378 WeakPolarHBondContact O-CA 3.41Å; D267-Y378 WeakPolarHBondContact O-CB 3.46Å; D267-Y378 WeakPolarHBondContact O-CD1 3.39Å; D267-R379 PolarHBondContact O-N 3.02Å; D267-R379 IonicContact OD1-NE 2.8Å
268E97.8Very high95.1Very high11 Ų1142.6 Ų42.65%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-102.2127.2172.9-167.8170.3-179.800110.6R262 A265 T266 R379 S381R262-E268 IonicContact CZ-OE1 2.89Å; R262-E268 IonicContact NH1-OE1 3.48Å; R262-E268 IonicContact NH2-OE1 3.02Å; R262-E268 PolarHBondContact NH2-OE1 2.98Å; R262-E268 IonicContact NH2-OE2 3.77Å; R262-E268 PolarHBondContact NH2-OE2 3.22Å; A265-E268 WeakPolarHBondContact O-CB 3.27Å; A265-E268 PolarHBondContact O-N 2.75Å; T266-E268 VanDerWaalsContact C-N 3.34Å; E268-R379 IonicContact OE2-CZ 2.65Å; E268-R379 IonicContact OE2-NH2 2.95Å; E268-R379 PolarHBondContact OE2-NH2 2.9Å; E268-S381 VanDerWaalsContact OE1-CB 3.28Å; E268-S381 WeakPolarHBondContact OE1-CB 3.29Å; E268-S381 PolarHBondContact OE1-OG 3.13Å
269I98.3Very high94.6Very high0 Ų047.6 Ų47.60%023%0.226CC..EExtended strand (participates in β ladder)trans-110.2145.6168.159.4157.3000110.6V271 Y346 V352 L373 Y378 R379 F380 S381I269-V271 HydrophobicContact CD1-CG2 4.47Å; I269-Y346 HydrophobicContact CB-CD2 4Å; I269-Y346 HydrophobicContact CB-CG 4.33Å; I269-Y346 HydrophobicContact CD1-CD1 4.07Å; I269-Y346 HydrophobicContact CD1-CD2 4.12Å; I269-Y346 HydrophobicContact CD1-CG 3.79Å; I269-Y346 HydrophobicContact CG2-CD2 3.94Å; I269-Y346 HydrophobicContact CG2-CE2 4.25Å; I269-V352 HydrophobicContact CG2-CG2 3.93Å; I269-L373 HydrophobicContact CD1-CD1 3.81Å; I269-Y378 HydrophobicContact CG2-CD1 3.89Å; I269-Y378 HydrophobicContact CG2-CE1 4.43Å; I269-R379 WeakPolarHBondContact CG1-O 3.27Å; I269-R379 PolarHBondContact N-O 3.36Å; I269-F380 HydrophobicContact CD1-CD1 3.36Å; I269-F380 HydrophobicContact CD1-CE1 3.48Å; I269-F380 VanDerWaalsContact CD1-CE1 3.48Å; I269-F380 HydrophobicContact CD1-CG 4.18Å; I269-F380 HydrophobicContact CD1-CZ 4.35Å; I269-F380 HydrophobicContact CG1-CD1 3.97Å; I269-F380 HydrophobicContact CG1-CE1 4.39Å; I269-F380 HydrophobicContact CG1-CG 4.32Å; I269-S381 PolarHBondContact O-N 3.04Å
270F98.6Very high93.6Very high0 Ų050.4 Ų50.40%024%0.243CC..EExtended strand (participates in β ladder)trans-103.5108.2-177.9-61.6-89.6000109.5Y237 F255 L258 P264 L272 V332 Y346 I347 S381 L383Y237-F270 HydrophobicContact CE1-CE2 4.16Å; F255-F270 HydrophobicContact CE2-CB 4.19Å; F255-F270 HydrophobicContact CE2-CD1 4.23Å; F255-F270 AromaticContact CE2-CD2 3.49Å; F255-F270 HydrophobicContact CE2-CD2 3.49Å; F255-F270 VanDerWaalsContact CE2-CD2 3.49Å; F255-F270 HydrophobicContact CE2-CE1 4.41Å; F255-F270 AromaticContact CE2-CE2 3.76Å; F255-F270 HydrophobicContact CE2-CE2 3.76Å; F255-F270 AromaticContact CE2-CG 3.72Å; F255-F270 HydrophobicContact CE2-CG 3.72Å; F255-F270 HydrophobicContact CE2-CZ 4.19Å; F255-F270 AromaticContact CZ-CD2 3.68Å; F255-F270 HydrophobicContact CZ-CD2 3.68Å; F255-F270 AromaticContact CZ-CE2 3.69Å; F255-F270 HydrophobicContact CZ-CE2 3.69Å; F255-F270 HydrophobicContact CZ-CG 4.38Å; F255-F270 HydrophobicContact CZ-CZ 4.38Å; L258-F270 HydrophobicContact CD2-CD1 4.21Å; L258-F270 HydrophobicContact CD2-CE1 3.8Å; L258-F270 HydrophobicContact CD2-CZ 4.5Å; P264-F270 HydrophobicContact CB-CE2 3.95Å; P264-F270 HydrophobicContact CB-CZ 3.61Å; P264-F270 HydrophobicContact CG-CE2 4.01Å; P264-F270 HydrophobicContact CG-CZ 3.58Å; F270-L272 WeakPolarHBondContact O-CD1 3.49Å; F270-V332 HydrophobicContact CD1-CG2 4.14Å; F270-V332 HydrophobicContact CE1-CG2 3.99Å; F270-Y346 CarbonylContact O-C 3.54Å; F270-Y346 WeakPolarHBondContact O-CA 3.23Å; F270-Y346 WeakPolarHBondContact O-CB 3.35Å; F270-I347 HydrophobicContact CB-CB 4.23Å; F270-I347 PolarHBondContact N-O 2.86Å; F270-I347 PolarHBondContact O-N 2.99Å; F270-S381 CarbonylContact C-O 3.47Å; F270-S381 VanDerWaalsContact CA-O 3.26Å; F270-S381 WeakPolarHBondContact CA-O 3.41Å; F270-L383 HydrophobicContact CB-CD1 3.95Å; F270-L383 HydrophobicContact CB-CD2 4.22Å; F270-L383 HydrophobicContact CB-CG 3.99Å; F270-L383 HydrophobicContact CD1-CD2 3.65Å; F270-L383 HydrophobicContact CD1-CG 4.32Å; F270-L383 HydrophobicContact CE1-CD2 4.43Å; F270-L383 HydrophobicContact CG-CD2 4.36Å
271V98.6Very high93Very high0 Ų056 Ų560%026%0.257CS..EExtended strand (participates in β ladder)trans-81.5132.9-177.3176.40000110.3I269 W342 P344 F345 F380 S381 V382 L383I269-V271 HydrophobicContact CD1-CG2 4.47Å; V271-W342 HydrophobicContact CG1-CZ2 3.95Å; V271-W342 HydrophobicContact CG2-CH2 3.92Å; V271-W342 HydrophobicContact CG2-CZ2 4.18Å; V271-P344 HydrophobicContact CG1-CB 3.99Å; V271-P344 HydrophobicContact CG2-CB 4.3Å; V271-F345 WeakPolarHBondContact CA-O 3.31Å; V271-F380 HydrophobicContact CG2-CB 4.15Å; V271-F380 HydrophobicContact CG2-CD1 4.1Å; V271-S381 PolarHBondContact N-O 2.92Å; V271-V382 HydrophobicContact CB-CG2 4.12Å; V271-V382 HydrophobicContact CG1-CG2 4.3Å; V271-L383 PolarHBondContact O-N 3.05Å
272L98.5Very high92.8Very high1 Ų156 Ų561%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-107.7119.1172.5-73.878.2000107.9L239 L251 F270 A274 F345 I347 L383 A386 V388L239-L272 HydrophobicContact CD2-CD2 4.44Å; L251-L272 HydrophobicContact CD1-CD2 4.39Å; L251-L272 HydrophobicContact CD2-CD2 3.61Å; F270-L272 WeakPolarHBondContact O-CD1 3.49Å; L272-A274 PolarHBondContact O-N 3.04Å; L272-F345 PolarHBondContact N-O 3.24Å; L272-I347 HydrophobicContact CD1-CD1 3.94Å; L272-I347 HydrophobicContact CD1-CG1 3.83Å; L272-L383 HydrophobicContact CD1-CD1 3.94Å; L272-L383 HydrophobicContact CG-CD1 4.27Å; L272-A386 HydrophobicContact CD2-CB 4.02Å; L272-A386 HydrophobicContact CG-CB 4.01Å; L272-V388 HydrophobicContact CB-CG1 4.49Å; L272-V388 HydrophobicContact CD2-CG1 3.97Å
273P98.1Very high92.9Very high0 Ų053.5 Ų53.50%025%0.252CS..  trans-57.2136.7170.9-26.537.6000111F275 T314 Y316 W319 V382 A386 F387 V388P273-F275 HydrophobicContact CB-CE2 3.7Å; P273-F275 HydrophobicContact CB-CZ 4.2Å; P273-T314 HydrophobicContact CB-CG2 3.75Å; P273-T314 HydrophobicContact CG-CG2 3.7Å; P273-Y316 HydrophobicContact CB-CD1 4.48Å; P273-Y316 HydrophobicContact CB-CE1 3.94Å; P273-W319 HydrophobicContact CB-CD2 4.38Å; P273-W319 HydrophobicContact CG-CD2 3.88Å; P273-W319 HydrophobicContact CG-CG 3.8Å; P273-W319 HydrophobicContact CG-CZ2 4.39Å; P273-V382 HydrophobicContact CG-CG1 3.95Å; P273-A386 WeakPolarHBondContact CD-O 3.45Å; P273-F387 WeakPolarHBondContact O-CA 3.43Å; P273-F387 WeakPolarHBondContact O-CB 3.3Å; P273-V388 PolarHBondContact O-N 3.46Å; P273-V388 VanDerWaalsContact O-N 3.07Å
274A98.2Very high93.3Very high0 Ų044.5 Ų44.50%021%0.211CC..EExtended strand (participates in β ladder)trans-108.5134.1-175.500000110.1L272 F302 Y316 F345 V388L272-A274 PolarHBondContact O-N 3.04Å; A274-F302 HydrophobicContact CB-CB 3.72Å; A274-F302 HydrophobicContact CB-CG 4.28Å; A274-F302 WeakPolarHBondContact O-CB 3.42Å; A274-F302 PolarHBondContact O-N 2.74Å; A274-Y316 PolarHBondContact N-OH 3.47Å; A274-Y316 VanDerWaalsContact O-CE1 3.32Å; A274-Y316 WeakPolarHBondContact O-CE1 3.27Å; A274-Y316 PolarHBondContact O-OH 3.07Å; A274-F345 HydrophobicContact CB-CD2 3.45Å; A274-F345 VanDerWaalsContact CB-CD2 3.45Å; A274-F345 HydrophobicContact CB-CE2 3.73Å; A274-F345 HydrophobicContact CB-CG 4.38Å; A274-V388 WeakPolarHBondContact CA-O 3.3Å; A274-V388 HydrophobicContact CB-CG2 3.71Å
275F98.3Very high93.4Very high1 Ų144.8 Ų44.80%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-126.2164.5-179.1-63.3-93000110.6P273 L290 Y294 V299 R300 Y316 W319 F387 V388 V389 H390P273-F275 HydrophobicContact CB-CE2 3.7Å; P273-F275 HydrophobicContact CB-CZ 4.2Å; F275-L290 HydrophobicContact CB-CD1 4.36Å; F275-L290 HydrophobicContact CD2-CD1 4.27Å; F275-L290 HydrophobicContact CD2-CD2 3.71Å; F275-L290 HydrophobicContact CE1-CD2 4.41Å; F275-L290 HydrophobicContact CE2-CD2 3.49Å; F275-L290 VanDerWaalsContact CE2-CD2 3.49Å; F275-L290 HydrophobicContact CG-CD1 4.23Å; F275-L290 HydrophobicContact CG-CD2 4.28Å; F275-L290 HydrophobicContact CZ-CD2 3.86Å; F275-Y294 HydrophobicContact CD1-CD2 4.37Å; F275-Y294 HydrophobicContact CE1-CD2 4.04Å; F275-Y294 HydrophobicContact CE1-CE2 4.23Å; F275-V299 HydrophobicContact CB-CG1 3.69Å; F275-V299 HydrophobicContact CD1-CG1 3.65Å; F275-V299 HydrophobicContact CG-CG1 3.94Å; F275-R300 CarbonylContact C-O 3.57Å; F275-R300 VanDerWaalsContact CA-O 3.28Å; F275-R300 WeakPolarHBondContact CA-O 3.34Å; F275-R300 WeakPolarHBondContact CB-O 3.38Å; F275-Y316 HydrophobicContact CD1-CD1 4.28Å; F275-Y316 HydrophobicContact CD1-CE1 4.16Å; F275-Y316 HydrophobicContact CD2-CE1 4.48Å; F275-Y316 AromaticContact CE1-CD1 3.48Å; F275-Y316 HydrophobicContact CE1-CD1 3.48Å; F275-Y316 VanDerWaalsContact CE1-CD1 3.48Å; F275-Y316 AromaticContact CE1-CE1 3.74Å; F275-Y316 HydrophobicContact CE1-CE1 3.74Å; F275-Y316 HydrophobicContact CE2-CD1 4.35Å; F275-Y316 HydrophobicContact CE2-CE1 4.08Å; F275-Y316 AromaticContact CZ-CD1 3.53Å; F275-Y316 HydrophobicContact CZ-CD1 3.53Å; F275-Y316 AromaticContact CZ-CE1 3.69Å; F275-Y316 HydrophobicContact CZ-CE1 3.69Å; F275-W319 HydrophobicContact CE2-CE3 4.29Å; F275-W319 HydrophobicContact CE2-CH2 4.2Å; F275-W319 AromaticContact CE2-CZ3 3.83Å; F275-W319 HydrophobicContact CE2-CZ3 3.83Å; F275-W319 AromaticContact CZ-CE3 3.87Å; F275-W319 HydrophobicContact CZ-CE3 3.87Å; F275-W319 HydrophobicContact CZ-CH2 4.48Å; F275-W319 AromaticContact CZ-CZ3 3.67Å; F275-W319 HydrophobicContact CZ-CZ3 3.67Å; F275-F387 HydrophobicContact CD2-CB 4.22Å; F275-F387 HydrophobicContact CE2-CB 4.13Å; F275-V388 PolarHBondContact N-O 3.36Å; F275-V389 HydrophobicContact CB-CG1 4.5Å; F275-V389 HydrophobicContact CB-CG2 4.44Å; F275-V389 CarbonylContact O-C 3.21Å; F275-V389 WeakPolarHBondContact O-CA 3.39Å; F275-H390 PolarHBondContact O-N 3.3Å
276E97.3Very high93.5Very high0 Ų045.8 Ų45.80%022%0.216CC..EExtended strand (participates in β ladder)trans-124.9148.4165.255.7-173.4-124.900109.5V299 R300 F302 Y303 H390 F393 K394E276-V299 WeakPolarHBondContact O-CA 3.32Å; E276-R300 HydrophobicContact CG-CG 3.57Å; E276-R300 PolarHBondContact N-O 2.83Å; E276-R300 PolarHBondContact O-N 3.04Å; E276-R300 IonicContact OE1-CZ 3.51Å; E276-R300 IonicContact OE1-NE 3.19Å; E276-R300 PolarHBondContact OE1-NE 3.25Å; E276-R300 IonicContact OE1-NH2 3.81Å; E276-R300 PolarHBondContact OE1-NH2 3.05Å; E276-F302 HydrophobicContact CB-CD2 4.32Å; E276-Y303 PolarHBondContact OE2-N 2.83Å; E276-H390 HydrophobicContact CB-CB 4.12Å; E276-F393 HydrophobicContact CB-CD1 4.12Å; E276-F393 HydrophobicContact CG-CD1 3.77Å; E276-F393 HydrophobicContact CG-CE1 4.17Å; E276-F393 WeakPolarHBondContact O-CE1 3.34Å; E276-F393 WeakPolarHBondContact OE1-CA 3.34Å; E276-K394 PolarHBondContact OE1-N 3.13Å; E276-K394 PolarHBondContact OE2-N 3.31Å
277I96.1Very high93.6Very high3 Ų342.4 Ų42.42%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-122135.9-177.9-172.9172.1000110.5V280 M283 L293 E298 V299 V389 H390 G392 F393I277-V280 HydrophobicContact CG2-CG2 4.05Å; I277-M283 HydrophobicContact CB-CE 4.12Å; I277-M283 HydrophobicContact CD1-CE 3.72Å; I277-M283 HydrophobicContact CG1-CE 4.41Å; I277-M283 HydrophobicContact CG2-CE 3.1Å; I277-M283 HydrophobicContact CG2-SD 4.23Å; I277-L293 HydrophobicContact CD1-CD1 4.09Å; I277-E298 WeakPolarHBondContact CA-O 3.42Å; I277-V299 HydrophobicContact CB-CG2 3.97Å; I277-V299 HydrophobicContact CD1-CG2 4.06Å; I277-V299 HydrophobicContact CG1-CG2 3.81Å; I277-V389 HydrophobicContact CB-CG1 3.96Å; I277-V389 HydrophobicContact CG2-CG1 3.78Å; I277-H390 VanDerWaalsContact CG2-O 3.28Å; I277-H390 WeakPolarHBondContact CG2-O 3.45Å; I277-H390 PolarHBondContact N-O 2.78Å; I277-H390 VanDerWaalsContact N-O 3.12Å; I277-G392 CarbonylContact O-C 3.43Å; I277-G392 WeakPolarHBondContact O-CA 3.36Å; I277-G392 PolarHBondContact O-N 3.06Å; I277-F393 VanDerWaalsContact C-CD1 3.45Å; I277-F393 VanDerWaalsContact C-CE1 3.44Å
278R90.3Very high93.6Very high134 Ų13443 Ų4351%0.50620%0.203SC..SBendtrans-71.2-60.2-175.2-169.1-177.4-65.1-163.67.1111.2E298 F393R278-E298 PolarHBondContact N-O 3.25Å; R278-F393 HydrophobicContact CB-CD1 4.03Å; R278-F393 HydrophobicContact CB-CD2 4.15Å; R278-F393 HydrophobicContact CB-CE1 3.74Å; R278-F393 HydrophobicContact CB-CE2 3.88Å; R278-F393 HydrophobicContact CB-CG 4.24Å; R278-F393 HydrophobicContact CB-CZ 3.66Å; R278-F393 HydrophobicContact CG-CD2 4.19Å; R278-F393 HydrophobicContact CG-CE2 4.2Å; R278-F393 HydrophobicContact CG-CG 4.48Å; R278-F393 HydrophobicContact CG-CZ 4.48Å; R278-F393 VanDerWaalsContact NE-CE2 3.32Å
279H85.6Confident93.4Very high107 Ų10745.2 Ų45.250%0.49521%0.213SC..  trans-110.1119.4-177-53.4103.7000110.8R281 E298H279-R281 PolarHBondContact O-N 2.86Å; H279-R281 VanDerWaalsContact O-N 3.11Å; H279-E298 IonicContact CG-OE2 3.01Å; H279-E298 IonicContact ND1-OE1 2.69Å; H279-E298 IonicContact ND1-OE2 2.78Å; H279-E298 PolarHBondContact ND1-OE2 2.89Å
280V72.3Confident93.3Very high71 Ų7145.2 Ų45.243%0.4321%0.214SC..  trans-8974.3179.2-169.90000109.7I277 M283 K391I277-V280 HydrophobicContact CG2-CG2 4.05Å; V280-M283 HydrophobicContact CB-CE 4.41Å; V280-M283 HydrophobicContact CG1-CE 3.78Å; V280-M283 HydrophobicContact CG2-CE 4.09Å; V280-K391 HydrophobicContact CG1-CD 4.39Å; V280-K391 HydrophobicContact CG1-CG 4.4Å; V280-K391 HydrophobicContact CG2-CB 3.88Å; V280-K391 HydrophobicContact CG2-CD 4.49Å; V280-K391 HydrophobicContact CG2-CG 3.97Å
281R77.7Confident93.2Very high249 Ų24946.3 Ų46.394%0.9422%0.22SC*.SBendtrans-76.3-44.6163.8-69.9-171.3-177.3-174.82.3110.7H279H279-R281 PolarHBondContact O-N 2.86Å; H279-R281 VanDerWaalsContact O-N 3.11Å
282K87.7Confident93Very high138 Ų13851.7 Ų51.760%0.625%0.245SC*.SBendtrans-151.7134.4176.1-174.9-176.7175.8-164.50108.6E289K282-E289 IonicContact NZ-OE1 3.92Å
283M94.7Very high92.9Very high17 Ų1754 Ų548%0.08426%0.257CS..  trans-69.9129.8170.6-88.9-59.994.700110.4R128 A246 I277 V280 A285 V389 K391R128-M283 PolarHBondContact NH2-O 3Å; A246-M283 HydrophobicContact CB-CG 4Å; A246-M283 HydrophobicContact CB-SD 4.21Å; I277-M283 HydrophobicContact CB-CE 4.12Å; I277-M283 HydrophobicContact CD1-CE 3.72Å; I277-M283 HydrophobicContact CG1-CE 4.41Å; I277-M283 HydrophobicContact CG2-CE 3.1Å; I277-M283 HydrophobicContact CG2-SD 4.23Å; V280-M283 HydrophobicContact CB-CE 4.41Å; V280-M283 HydrophobicContact CG1-CE 3.78Å; V280-M283 HydrophobicContact CG2-CE 4.09Å; M283-A285 PolarHBondContact O-N 3.33Å; M283-V389 HydrophobicContact CE-CG1 4.32Å; M283-V389 HydrophobicContact SD-CB 3.86Å; M283-V389 HydrophobicContact SD-CG1 3.82Å; M283-K391 HydrophobicContact CE-CG 4.47Å
284P95.8Very high92.7Very high5 Ų557.5 Ų57.53%0.03227%0.271CS..  trans-60.1127.3174.525.4-32.1000109.2E289 L290 L293 F387 V389P284-E289 HydrophobicContact CB-CB 4.03Å; P284-L290 HydrophobicContact CB-CB 4.04Å; P284-L290 HydrophobicContact CB-CD1 4.29Å; P284-L290 HydrophobicContact CG-CB 4.31Å; P284-L290 HydrophobicContact CG-CD1 3.62Å; P284-L293 HydrophobicContact CB-CD1 4.06Å; P284-L293 HydrophobicContact CG-CD1 4.14Å; P284-F387 HydrophobicContact CB-CZ 4.45Å; P284-F387 HydrophobicContact CG-CE2 4.24Å; P284-V389 HydrophobicContact CG-CG2 4.08Å
285A95.4Very high92.6Very high18 Ų1864.3 Ų64.315%0.14930%0.303CS..  trans-87.3-34.4-179.900000111.2A249 M283 E289A249-A285 HydrophobicContact CB-CB 3.78Å; A249-A285 PolarHBondContact N-O 3.36Å; M283-A285 PolarHBondContact O-N 3.33Å; A285-E289 WeakPolarHBondContact CB-OE2 3.38Å; A285-E289 PolarHBondContact N-OE2 3Å
286T95.5Very high92.4Very high63 Ų6369.3 Ų69.339%0.38733%0.333SS..SBendtrans-122.8160.2-174.272.50000112S288 E289 L290 F387T286-S288 PolarHBondContact O-N 3.09Å; T286-E289 PolarHBondContact O-N 3.25Å; T286-E289 PolarHBondContact OG1-N 2.79Å; T286-L290 PolarHBondContact O-N 3.37Å; T286-F387 VanDerWaalsContact C-CE1 3.46Å
287K95.6Very high92.3Very high10 Ų1071.1 Ų71.14%0.04335%0.352CS..Hα-helixtrans-58.7-37.1175.5176.3172.9179.2-172.40111.6L290 V291 W319 R322 N384 F387K287-L290 PolarHBondContact O-N 2.83Å; K287-V291 HydrophobicContact CG-CG2 4.07Å; K287-V291 WeakPolarHBondContact O-CB 3.29Å; K287-V291 VanDerWaalsContact O-CG2 3.27Å; K287-V291 WeakPolarHBondContact O-CG2 3.48Å; K287-V291 PolarHBondContact O-N 3.04Å; K287-W319 HydrophobicContact CB-CH2 4.17Å; K287-W319 HydrophobicContact CD-CH2 3.72Å; K287-W319 HydrophobicContact CD-CZ2 3.75Å; K287-W319 HydrophobicContact CD-CZ3 4.11Å; K287-W319 WeakPolarHBondContact CE-O 3.31Å; K287-W319 HydrophobicContact CG-CH2 3.61Å; K287-W319 HydrophobicContact CG-CZ2 4.14Å; K287-W319 HydrophobicContact CG-CZ3 3.96Å; K287-W319 PolarHBondContact NZ-O 2.86Å; K287-R322 PolarHBondContact NZ-O 3.43Å; K287-N384 WeakPolarHBondContact CD-O 3.08Å; K287-N384 PolarHBondContact NZ-O 3.41Å; K287-F387 HydrophobicContact CB-CE1 4.49Å
288S94.4Very high92.2Very high74 Ų7473.9 Ų73.952%0.51737%0.365SS..Hα-helixtrans-61.2-47.7178-172.20000111.6T286 V291 Q292T286-S288 PolarHBondContact O-N 3.09Å; S288-V291 PolarHBondContact O-N 2.55Å; S288-Q292 WeakPolarHBondContact O-CG 3.36Å; S288-Q292 PolarHBondContact O-N 2.76Å; S288-Q292 VanDerWaalsContact O-N 3.1Å
289E95.2Very high92.6Very high58 Ų5867.6 Ų67.627%0.27134%0.341SS..Hα-helixtrans-62.5-43.5176.4-68.8-179.7162.300111.2K282 P284 A285 T286 V291 Q292 L293K282-E289 IonicContact NZ-OE1 3.92Å; P284-E289 HydrophobicContact CB-CB 4.03Å; A285-E289 WeakPolarHBondContact CB-OE2 3.38Å; A285-E289 PolarHBondContact N-OE2 3Å; T286-E289 PolarHBondContact O-N 3.25Å; T286-E289 PolarHBondContact OG1-N 2.79Å; E289-V291 PolarHBondContact O-N 3.17Å; E289-Q292 PolarHBondContact O-N 3.49Å; E289-L293 WeakPolarHBondContact O-CG 3.33Å; E289-L293 PolarHBondContact O-N 3.21Å; E289-L293 VanDerWaalsContact O-N 3.11Å
290L96.3Very high93.1Very high1 Ų164.2 Ų64.21%0.00532%0.324CS..Hα-helixtrans-60.5-45.4177.9-177.484.2000112F275 P284 T286 K287 Q292 L293 Y294 V299 W319 F387 V389F275-L290 HydrophobicContact CB-CD1 4.36Å; F275-L290 HydrophobicContact CD2-CD1 4.27Å; F275-L290 HydrophobicContact CD2-CD2 3.71Å; F275-L290 HydrophobicContact CE1-CD2 4.41Å; F275-L290 HydrophobicContact CE2-CD2 3.49Å; F275-L290 VanDerWaalsContact CE2-CD2 3.49Å; F275-L290 HydrophobicContact CG-CD1 4.23Å; F275-L290 HydrophobicContact CG-CD2 4.28Å; F275-L290 HydrophobicContact CZ-CD2 3.86Å; P284-L290 HydrophobicContact CB-CB 4.04Å; P284-L290 HydrophobicContact CB-CD1 4.29Å; P284-L290 HydrophobicContact CG-CB 4.31Å; P284-L290 HydrophobicContact CG-CD1 3.62Å; T286-L290 PolarHBondContact O-N 3.37Å; K287-L290 PolarHBondContact O-N 2.83Å; L290-Q292 VanDerWaalsContact C-N 3.35Å; L290-L293 PolarHBondContact O-N 3.11Å; L290-Y294 WeakPolarHBondContact O-CB 3.44Å; L290-Y294 PolarHBondContact O-N 2.65Å; L290-V299 HydrophobicContact CD1-CG1 3.81Å; L290-V299 HydrophobicContact CD1-CG2 4.33Å; L290-V299 HydrophobicContact CG-CG1 4.44Å; L290-W319 HydrophobicContact CD2-CH2 3.66Å; L290-W319 HydrophobicContact CD2-CZ3 3.62Å; L290-F387 HydrophobicContact CB-CE1 4.33Å; L290-F387 HydrophobicContact CB-CE2 4.39Å; L290-F387 HydrophobicContact CB-CZ 4.11Å; L290-F387 HydrophobicContact CD1-CD2 4.07Å; L290-F387 HydrophobicContact CD1-CE2 3.94Å; L290-F387 HydrophobicContact CD1-CZ 4.49Å; L290-F387 HydrophobicContact CD2-CB 4.25Å; L290-F387 HydrophobicContact CD2-CD1 3.91Å; L290-F387 HydrophobicContact CD2-CD2 3.89Å; L290-F387 HydrophobicContact CD2-CE1 4.24Å; L290-F387 HydrophobicContact CD2-CE2 4.21Å; L290-F387 HydrophobicContact CD2-CG 3.74Å; L290-F387 HydrophobicContact CD2-CZ 4.37Å; L290-F387 HydrophobicContact CG-CE2 4.42Å; L290-V389 HydrophobicContact CD1-CG2 3.83Å
291V95.4Very high94.3Very high23 Ų2361.5 Ų61.514%0.13931%0.308CS..Hα-helixtrans-65.8-37.6-180168.50000111.3K287 S288 E289 L293 Y294 Q295 V320K287-V291 HydrophobicContact CG-CG2 4.07Å; K287-V291 WeakPolarHBondContact O-CB 3.29Å; K287-V291 VanDerWaalsContact O-CG2 3.27Å; K287-V291 WeakPolarHBondContact O-CG2 3.48Å; K287-V291 PolarHBondContact O-N 3.04Å; S288-V291 PolarHBondContact O-N 2.55Å; E289-V291 PolarHBondContact O-N 3.17Å; V291-L293 VanDerWaalsContact C-N 3.34Å; V291-L293 PolarHBondContact O-N 3.1Å; V291-Y294 WeakPolarHBondContact O-CB 3.27Å; V291-Y294 PolarHBondContact O-N 3.11Å; V291-Q295 HydrophobicContact CG1-CG 4.5Å; V291-Q295 VanDerWaalsContact O-CG 3.29Å; V291-Q295 WeakPolarHBondContact O-CG 3.43Å; V291-Q295 PolarHBondContact O-N 3.37Å; V291-V320 HydrophobicContact CG1-CG1 4Å; V291-V320 HydrophobicContact CG2-CG1 4.09Å; V291-V320 HydrophobicContact CG2-CG2 4.49Å
292Q94.6Very high95.2Very high113 Ų11349.7 Ų49.753%0.52826%0.264SS..Hα-helixtrans-60-45.4172.8-72.1169.6-5.500111.4S288 E289 L290 Y294 Q295 V296S288-Q292 WeakPolarHBondContact O-CG 3.36Å; S288-Q292 PolarHBondContact O-N 2.76Å; S288-Q292 VanDerWaalsContact O-N 3.1Å; E289-Q292 PolarHBondContact O-N 3.49Å; L290-Q292 VanDerWaalsContact C-N 3.35Å; Q292-Y294 VanDerWaalsContact C-N 3.33Å; Q292-Y294 PolarHBondContact O-N 2.59Å; Q292-Q295 PolarHBondContact O-N 3.18Å; Q292-V296 PolarHBondContact O-N 3.31Å
293L95.9Very high95.5Very high49 Ų4944.4 Ų44.426%0.25724%0.24SC..Hα-helixtrans-67.1-33.9176.8-66.6173.9000112.7I277 P284 E289 L290 V291 V296 G297 E298 V299I277-L293 HydrophobicContact CD1-CD1 4.09Å; P284-L293 HydrophobicContact CB-CD1 4.06Å; P284-L293 HydrophobicContact CG-CD1 4.14Å; E289-L293 WeakPolarHBondContact O-CG 3.33Å; E289-L293 PolarHBondContact O-N 3.21Å; E289-L293 VanDerWaalsContact O-N 3.11Å; L290-L293 PolarHBondContact O-N 3.11Å; V291-L293 VanDerWaalsContact C-N 3.34Å; V291-L293 PolarHBondContact O-N 3.1Å; L293-V296 WeakPolarHBondContact O-CG2 3.35Å; L293-V296 PolarHBondContact O-N 3.25Å; L293-G297 PolarHBondContact O-N 3.34Å; L293-E298 HydrophobicContact CB-CB 4.28Å; L293-E298 HydrophobicContact CD2-CB 4.19Å; L293-E298 PolarHBondContact O-N 2.83Å; L293-V299 HydrophobicContact CB-CB 4.14Å; L293-V299 HydrophobicContact CB-CG2 3.6Å; L293-V299 HydrophobicContact CD1-CG2 4.14Å; L293-V299 PolarHBondContact O-N 2.63Å
294Y95.4Very high95.5Very high73 Ų7347.6 Ų47.629%0.28626%0.255SS..Hα-helixtrans-64-43.4174.9-175.6-87.8000111.4F275 L290 V291 Q292 V296 G297 V299 P301 V320F275-Y294 HydrophobicContact CD1-CD2 4.37Å; F275-Y294 HydrophobicContact CE1-CD2 4.04Å; F275-Y294 HydrophobicContact CE1-CE2 4.23Å; L290-Y294 WeakPolarHBondContact O-CB 3.44Å; L290-Y294 PolarHBondContact O-N 2.65Å; V291-Y294 WeakPolarHBondContact O-CB 3.27Å; V291-Y294 PolarHBondContact O-N 3.11Å; Q292-Y294 VanDerWaalsContact C-N 3.33Å; Q292-Y294 PolarHBondContact O-N 2.59Å; Y294-V296 VanDerWaalsContact C-N 3.26Å; Y294-V296 PolarHBondContact O-N 2.92Å; Y294-G297 PolarHBondContact O-N 2.95Å; Y294-G297 VanDerWaalsContact O-N 3.11Å; Y294-V299 HydrophobicContact CD2-CG1 4.49Å; Y294-P301 HydrophobicContact CE2-CG 4.34Å; Y294-V320 HydrophobicContact CD1-CG1 4.31Å; Y294-V320 HydrophobicContact CD1-CG2 4.4Å; Y294-V320 HydrophobicContact CE1-CG2 4.43Å
295Q94.6Very high95.3Very high144 Ų14451 Ų5167%0.67327%0.27SS*.Hα-helixtrans-63.2-30.1179.9-74.1170.4-14.200113.5V291 Q292V291-Q295 HydrophobicContact CG1-CG 4.5Å; V291-Q295 VanDerWaalsContact O-CG 3.29Å; V291-Q295 WeakPolarHBondContact O-CG 3.43Å; V291-Q295 PolarHBondContact O-N 3.37Å; Q292-Q295 PolarHBondContact O-N 3.18Å
296V94.8Very high95.1Very high106 Ų10651.7 Ų51.764%0.64227%0.271SS*.THydrogen-bonded Turntrans-95.44.9177.6-57.90000113.4Q292 L293 Y294 E298Q292-V296 PolarHBondContact O-N 3.31Å; L293-V296 WeakPolarHBondContact O-CG2 3.35Å; L293-V296 PolarHBondContact O-N 3.25Å; Y294-V296 VanDerWaalsContact C-N 3.26Å; Y294-V296 PolarHBondContact O-N 2.92Å; V296-E298 VanDerWaalsContact C-N 3.33Å; V296-E298 HydrophobicContact CG2-CB 4.28Å; V296-E298 HydrophobicContact CG2-CG 3.99Å; V296-E298 PolarHBondContact O-N 3.15Å
297G94Very high95Very high38 Ų3850.1 Ų50.139%0.39226%0.262SS..THydrogen-bonded Turntrans75.413.3176.200000115.6L293 Y294L293-G297 PolarHBondContact O-N 3.34Å; Y294-G297 PolarHBondContact O-N 2.95Å; Y294-G297 VanDerWaalsContact O-N 3.11Å
298E95.9Very high94.8Very high60 Ų6053.7 Ų53.728%0.2829%0.286SS..SBendtrans-78.3-25173.5-75.6-63.9150.500112.1I277 R278 H279 L293 V296I277-E298 WeakPolarHBondContact CA-O 3.42Å; R278-E298 PolarHBondContact N-O 3.25Å; H279-E298 IonicContact CG-OE2 3.01Å; H279-E298 IonicContact ND1-OE1 2.69Å; H279-E298 IonicContact ND1-OE2 2.78Å; H279-E298 PolarHBondContact ND1-OE2 2.89Å; L293-E298 HydrophobicContact CB-CB 4.28Å; L293-E298 HydrophobicContact CD2-CB 4.19Å; L293-E298 PolarHBondContact O-N 2.83Å; V296-E298 VanDerWaalsContact C-N 3.33Å; V296-E298 HydrophobicContact CG2-CB 4.28Å; V296-E298 HydrophobicContact CG2-CG 3.99Å; V296-E298 PolarHBondContact O-N 3.15Å
299V96.9Very high94.8Very high3 Ų358.3 Ų58.32%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-121.7139177.4170.50000109.7F275 E276 I277 L290 L293 Y294F275-V299 HydrophobicContact CB-CG1 3.69Å; F275-V299 HydrophobicContact CD1-CG1 3.65Å; F275-V299 HydrophobicContact CG-CG1 3.94Å; E276-V299 WeakPolarHBondContact O-CA 3.32Å; I277-V299 HydrophobicContact CB-CG2 3.97Å; I277-V299 HydrophobicContact CD1-CG2 4.06Å; I277-V299 HydrophobicContact CG1-CG2 3.81Å; L290-V299 HydrophobicContact CD1-CG1 3.81Å; L290-V299 HydrophobicContact CD1-CG2 4.33Å; L290-V299 HydrophobicContact CG-CG1 4.44Å; L293-V299 HydrophobicContact CB-CB 4.14Å; L293-V299 HydrophobicContact CB-CG2 3.6Å; L293-V299 HydrophobicContact CD1-CG2 4.14Å; L293-V299 PolarHBondContact O-N 2.63Å; Y294-V299 HydrophobicContact CD2-CG1 4.49Å
300R96.7Very high94.9Very high36 Ų3655.9 Ų55.914%0.13628%0.282CS..EExtended strand (participates in β ladder)trans-137.5164.6174.269.6-176.6-175.9174.63.8111.7F275 E276 E304 E305 F393 K394F275-R300 CarbonylContact C-O 3.57Å; F275-R300 VanDerWaalsContact CA-O 3.28Å; F275-R300 WeakPolarHBondContact CA-O 3.34Å; F275-R300 WeakPolarHBondContact CB-O 3.38Å; E276-R300 HydrophobicContact CG-CG 3.57Å; E276-R300 PolarHBondContact N-O 2.83Å; E276-R300 PolarHBondContact O-N 3.04Å; E276-R300 IonicContact OE1-CZ 3.51Å; E276-R300 IonicContact OE1-NE 3.19Å; E276-R300 PolarHBondContact OE1-NE 3.25Å; E276-R300 IonicContact OE1-NH2 3.81Å; E276-R300 PolarHBondContact OE1-NH2 3.05Å; R300-E304 VanDerWaalsContact CB-OE2 3.3Å; R300-E304 WeakPolarHBondContact CB-OE2 3.34Å; R300-E304 VanDerWaalsContact CD-OE2 3.26Å; R300-E304 WeakPolarHBondContact CD-OE2 3.49Å; R300-E304 HydrophobicContact CG-CB 4.31Å; R300-E305 IonicContact CZ-OE2 3.77Å; R300-E305 IonicContact NH1-OE2 3.73Å; R300-E305 PolarHBondContact NH1-OE2 2.83Å; R300-E305 IonicContact NH2-OE2 2.83Å; R300-E305 PolarHBondContact NH2-OE2 2.77Å; R300-F393 HydrophobicContact CB-CZ 4.48Å; R300-F393 HydrophobicContact CG-CD1 4.37Å; R300-F393 HydrophobicContact CG-CE1 3.86Å; R300-F393 HydrophobicContact CG-CE2 4.37Å; R300-F393 HydrophobicContact CG-CZ 3.86Å; R300-K394 PolarHBondContact NH2-O 2.81Å
301P97.4Very high94.8Very high13 Ų1356 Ų568%0.08428%0.283CS..EExtended strand (participates in β ladder)trans-54.6142.8173.1-24.236.8000111Y294 Y303 E304 Y316Y294-P301 HydrophobicContact CE2-CG 4.34Å; P301-Y303 PolarHBondContact O-N 3.42Å; P301-E304 HydrophobicContact CB-CB 4.42Å; P301-E304 WeakPolarHBondContact CD-OE1 3.15Å; P301-E304 VanDerWaalsContact O-CB 3.3Å; P301-E304 WeakPolarHBondContact O-CB 3.35Å; P301-E304 PolarHBondContact O-N 2.65Å; P301-E304 VanDerWaalsContact O-N 3.13Å; P301-Y316 HydrophobicContact CB-CD1 4.08Å; P301-Y316 HydrophobicContact CB-CD2 4.04Å; P301-Y316 HydrophobicContact CB-CE1 3.93Å; P301-Y316 HydrophobicContact CB-CE2 3.9Å; P301-Y316 HydrophobicContact CB-CG 4.15Å; P301-Y316 HydrophobicContact CG-CD1 4.02Å; P301-Y316 HydrophobicContact CG-CD2 4.16Å; P301-Y316 HydrophobicContact CG-CE1 4.38Å; P301-Y316 HydrophobicContact CG-CG 3.92Å
302F96.8Very high94.8Very high2 Ų257.8 Ų57.81%0.00930%0.3CS..THydrogen-bonded Turntrans-58.7137179.4-173.5-114.6000110.7M245 A274 E276 E304 Q311 F345 H390 K394M245-F302 HydrophobicContact SD-CE2 4.27Å; A274-F302 HydrophobicContact CB-CB 3.72Å; A274-F302 HydrophobicContact CB-CG 4.28Å; A274-F302 WeakPolarHBondContact O-CB 3.42Å; A274-F302 PolarHBondContact O-N 2.74Å; E276-F302 HydrophobicContact CB-CD2 4.32Å; F302-E304 PolarHBondContact O-N 2.77Å; F302-E304 VanDerWaalsContact O-N 3.14Å; F302-Q311 HydrophobicContact CB-CG 4.34Å; F302-Q311 WeakPolarHBondContact O-CG 3.35Å; F302-F345 HydrophobicContact CD1-CE2 4.02Å; F302-F345 HydrophobicContact CE1-CE2 4.06Å; F302-F345 HydrophobicContact CE1-CZ 4.24Å; F302-H390 HydrophobicContact CD2-CB 3.77Å; F302-H390 HydrophobicContact CE2-CB 3.57Å; F302-H390 AromaticContact CE2-CG 3.73Å; F302-K394 HydrophobicContact CE2-CG 4.15Å
303Y94.1Very high94.9Very high26 Ų2653.7 Ų53.710%0.10228%0.283CS..THydrogen-bonded Turntrans56.724.4-177.1-65.3-17.5000115E276 P301 E305 L306 C307 K394E276-Y303 PolarHBondContact OE2-N 2.83Å; P301-Y303 PolarHBondContact O-N 3.42Å; Y303-E305 PolarHBondContact O-N 3.25Å; Y303-E305 VanDerWaalsContact O-N 3.13Å; Y303-L306 HydrophobicContact CD1-CD1 3.84Å; Y303-L306 HydrophobicContact CE1-CD1 4.09Å; Y303-L306 PolarHBondContact O-N 3.42Å; Y303-L306 VanDerWaalsContact O-N 3.12Å; Y303-C307 CarbonylContact O-C 3.21Å; Y303-C307 PolarHBondContact O-N 3Å; Y303-K394 HydrophobicContact CD1-CB 3.86Å; Y303-K394 HydrophobicContact CD1-CG 4.06Å; Y303-K394 HydrophobicContact CE1-CB 3.96Å; Y303-K394 HydrophobicContact CE1-CG 3.81Å
304E93.9Very high94.8Very high85 Ų8551.4 Ų51.440%0.39727%0.271SS..THydrogen-bonded Turntrans-51.8-39.4177.9-179.6169.9-115.900112.3R300 P301 F302 P308R300-E304 VanDerWaalsContact CB-OE2 3.3Å; R300-E304 WeakPolarHBondContact CB-OE2 3.34Å; R300-E304 VanDerWaalsContact CD-OE2 3.26Å; R300-E304 WeakPolarHBondContact CD-OE2 3.49Å; R300-E304 HydrophobicContact CG-CB 4.31Å; P301-E304 HydrophobicContact CB-CB 4.42Å; P301-E304 WeakPolarHBondContact CD-OE1 3.15Å; P301-E304 VanDerWaalsContact O-CB 3.3Å; P301-E304 WeakPolarHBondContact O-CB 3.35Å; P301-E304 PolarHBondContact O-N 2.65Å; P301-E304 VanDerWaalsContact O-N 3.13Å; F302-E304 PolarHBondContact O-N 2.77Å; F302-E304 VanDerWaalsContact O-N 3.14Å; E304-P308 VanDerWaalsContact O-CD 3.3Å; E304-P308 WeakPolarHBondContact O-CD 3.28Å; E304-P308 WeakPolarHBondContact O-CG 3.4Å
305E92.9Very high94.9Very high75 Ų7551 Ų5135%0.3527%0.274SS..THydrogen-bonded Turntrans-84.4-29.5-179.6-169.6-178.8137.400113.9R300 Y303 Q396R300-E305 IonicContact CZ-OE2 3.77Å; R300-E305 IonicContact NH1-OE2 3.73Å; R300-E305 PolarHBondContact NH1-OE2 2.83Å; R300-E305 IonicContact NH2-OE2 2.83Å; R300-E305 PolarHBondContact NH2-OE2 2.77Å; Y303-E305 PolarHBondContact O-N 3.25Å; Y303-E305 VanDerWaalsContact O-N 3.13Å; E305-Q396 PolarHBondContact OE1-N 2.75Å
306L90.9Very high94.9Very high34 Ų3445 Ų4518%0.17825%0.245CC..THydrogen-bonded Turntrans-92.8-37.3-171.8-63176.2000112.9Y303 K394 Q396 F399Y303-L306 HydrophobicContact CD1-CD1 3.84Å; Y303-L306 HydrophobicContact CE1-CD1 4.09Å; Y303-L306 PolarHBondContact O-N 3.42Å; Y303-L306 VanDerWaalsContact O-N 3.12Å; L306-K394 HydrophobicContact CD1-CB 3.58Å; L306-K394 WeakPolarHBondContact CG-O 3.19Å; L306-Q396 HydrophobicContact CD2-CG 3.76Å; L306-F399 HydrophobicContact CD1-CE2 3.38Å; L306-F399 HydrophobicContact CD1-CZ 3.29Å; L306-F399 HydrophobicContact CD2-CE2 3.79Å; L306-F399 HydrophobicContact CG-CE2 4.24Å
307C92.8Very high94.9Very high30 Ų3043.3 Ų43.320%0.20324%0.238CC..  trans-155.277.9177.5-171.30000110.9Y303 R309 C310Y303-C307 CarbonylContact O-C 3.21Å; Y303-C307 PolarHBondContact O-N 3Å; C307-R309 PolarHBondContact O-N 2.88Å; C307-R309 VanDerWaalsContact O-N 3.1Å; C307-C310 HydrophobicContact CB-CB 3.65Å; C307-C310 WeakPolarHBondContact CB-SG 3.5Å; C307-C310 WeakPolarHBondContact O-CB 3.39Å; C307-C310 PolarHBondContact O-N 3.42Å; C307-C310 WeakPolarHBondContact SG-CB 3.31Å; C307-C310 PolarHBondContact SG-N 3.49Å; C307-C310 CovalentContact SG-SG 2.03Å; C307-C310 PolarHBondContact SG-SG 3.39Å
308P91.8Very high95Very high84 Ų8445.3 Ų45.355%0.54524%0.237SC..Hα-helixtrans-53.4-36.5177.2-12.311000112.6E304 C310 A312E304-P308 VanDerWaalsContact O-CD 3.3Å; E304-P308 WeakPolarHBondContact O-CD 3.28Å; E304-P308 WeakPolarHBondContact O-CG 3.4Å; P308-C310 VanDerWaalsContact C-N 3.31Å; P308-C310 PolarHBondContact O-N 2.81Å; P308-A312 WeakPolarHBondContact O-CB 3.46Å; P308-A312 PolarHBondContact O-N 3.43Å; P308-A312 VanDerWaalsContact O-N 3.14Å
309R95.3Very high95Very high171 Ų17142.5 Ų42.565%0.64522%0.224SC*.Hα-helixtrans-67.7-25.6178.4-66.8-175.462.8179.5-3.4114C307 Q311 P341C307-R309 PolarHBondContact O-N 2.88Å; C307-R309 VanDerWaalsContact O-N 3.1Å; R309-Q311 VanDerWaalsContact C-N 3.3Å; R309-Q311 PolarHBondContact O-N 2.88Å; R309-P341 HydrophobicContact CB-CG 4.35Å
310C95.6Very high94.9Very high8 Ų843.3 Ų43.35%0.05423%0.229CC..Hα-helixtrans-72.5-25-175.1-66.90000112.4C307 P308 P341 W342 E343C307-C310 HydrophobicContact CB-CB 3.65Å; C307-C310 WeakPolarHBondContact CB-SG 3.5Å; C307-C310 WeakPolarHBondContact O-CB 3.39Å; C307-C310 PolarHBondContact O-N 3.42Å; C307-C310 WeakPolarHBondContact SG-CB 3.31Å; C307-C310 PolarHBondContact SG-N 3.49Å; C307-C310 CovalentContact SG-SG 2.03Å; C307-C310 PolarHBondContact SG-SG 3.39Å; P308-C310 VanDerWaalsContact C-N 3.31Å; P308-C310 PolarHBondContact O-N 2.81Å; C310-P341 WeakPolarHBondContact CA-O 3.47Å; C310-W342 CarbonylContact O-C 3.58Å; C310-W342 WeakPolarHBondContact O-CA 3.28Å; C310-E343 HydrophobicContact CB-CB 4.25Å; C310-E343 PolarHBondContact O-N 2.99Å
311Q95.2Very high94.7Very high3 Ų346.8 Ų46.81%0.01425%0.251CS..Hα-helixtrans-112.2-19.1178.2-66.3-57.4-32.500113.5F302 R309 P313 T314 Y316 E343F302-Q311 HydrophobicContact CB-CG 4.34Å; F302-Q311 WeakPolarHBondContact O-CG 3.35Å; R309-Q311 VanDerWaalsContact C-N 3.3Å; R309-Q311 PolarHBondContact O-N 2.88Å; Q311-P313 VanDerWaalsContact C-N 3.31Å; Q311-P313 VanDerWaalsContact O-N 3.09Å; Q311-T314 VanDerWaalsContact O-CB 3.28Å; Q311-T314 WeakPolarHBondContact O-CB 3.43Å; Q311-T314 PolarHBondContact O-N 3.43Å; Q311-T314 PolarHBondContact O-OG1 2.9Å; Q311-Y316 HydrophobicContact CB-CE2 3.8Å; Q311-Y316 WeakPolarHBondContact O-CE2 3.35Å; Q311-Y316 PolarHBondContact OE1-OH 3.11Å; Q311-E343 PolarHBondContact NE2-O 3.31Å
312A94.9Very high94.2Very high61 Ų6151.2 Ų51.250%0.50427%0.266SS..G310 helixtrans-46.2-40.7-177.300000115.7P308 T314 N315P308-A312 WeakPolarHBondContact O-CB 3.46Å; P308-A312 PolarHBondContact O-N 3.43Å; P308-A312 VanDerWaalsContact O-N 3.14Å; A312-T314 PolarHBondContact O-N 3.4Å; A312-N315 PolarHBondContact O-N 3.1Å
313P96Very high93Very high26 Ų2659.7 Ų59.717%0.16931%0.305CS..G310 helixtrans-58.6-23-179.6-28.339.1000114.7Q311 N315 L336 V339 W342Q311-P313 VanDerWaalsContact C-N 3.31Å; Q311-P313 VanDerWaalsContact O-N 3.09Å; P313-N315 PolarHBondContact O-N 2.9Å; P313-N315 VanDerWaalsContact O-N 3.15Å; P313-L336 WeakPolarHBondContact O-CD1 3.37Å; P313-L336 WeakPolarHBondContact O-CD2 3.39Å; P313-V339 HydrophobicContact CG-CB 4.14Å; P313-W342 HydrophobicContact CB-CB 4.3Å; P313-W342 HydrophobicContact CB-CD2 3.95Å; P313-W342 HydrophobicContact CB-CG 3.81Å; P313-W342 HydrophobicContact CG-CB 3.94Å; P313-W342 HydrophobicContact CG-CG 3.9Å
314T95.8Very high91.5Very high1 Ų160.1 Ų60.11%0.00631%0.312CS..G310 helixtrans-60.6-21.4175.8-57.30000113.1P273 Q311 A312 Y316 Y334 W342P273-T314 HydrophobicContact CB-CG2 3.75Å; P273-T314 HydrophobicContact CG-CG2 3.7Å; Q311-T314 VanDerWaalsContact O-CB 3.28Å; Q311-T314 WeakPolarHBondContact O-CB 3.43Å; Q311-T314 PolarHBondContact O-N 3.43Å; Q311-T314 PolarHBondContact O-OG1 2.9Å; A312-T314 PolarHBondContact O-N 3.4Å; T314-Y316 HydrophobicContact CG2-CE2 4.08Å; T314-Y334 PolarHBondContact O-OH 2.86Å; T314-W342 PolarHBondContact OG1-NE1 3.49Å
315N95.8Very high89.7Confident65 Ų6565 Ų6535%0.34833%0.334SS..  trans56.266.9-177.1-164.3-10.9000113.2A312 P313 S317 Q318 W319 Y334A312-N315 PolarHBondContact O-N 3.1Å; P313-N315 PolarHBondContact O-N 2.9Å; P313-N315 VanDerWaalsContact O-N 3.15Å; N315-S317 VanDerWaalsContact C-N 3.26Å; N315-S317 PolarHBondContact O-N 2.89Å; N315-Q318 HydrophobicContact CB-CB 4.15Å; N315-Q318 WeakPolarHBondContact ND2-CB 3.42Å; N315-Q318 PolarHBondContact ND2-OE1 2.87Å; N315-Q318 PolarHBondContact O-N 3.5Å; N315-Q318 VanDerWaalsContact O-N 3.15Å; N315-Q318 WeakPolarHBondContact OD1-CB 3.26Å; N315-Q318 PolarHBondContact OD1-N 2.74Å; N315-Q318 VanDerWaalsContact OD1-N 3.12Å; N315-W319 PolarHBondContact O-N 2.89Å; N315-Y334 PolarHBondContact O-OH 3.49Å
316Y96.3Very high88Confident17 Ų1764.3 Ų64.37%0.06735%0.348CS..Hα-helixtrans-56.8-36.6-178.8-72.3-92.8000113.1P273 A274 F275 P301 Q311 T314 W319 V320P273-Y316 HydrophobicContact CB-CD1 4.48Å; P273-Y316 HydrophobicContact CB-CE1 3.94Å; A274-Y316 PolarHBondContact N-OH 3.47Å; A274-Y316 VanDerWaalsContact O-CE1 3.32Å; A274-Y316 WeakPolarHBondContact O-CE1 3.27Å; A274-Y316 PolarHBondContact O-OH 3.07Å; F275-Y316 HydrophobicContact CD1-CD1 4.28Å; F275-Y316 HydrophobicContact CD1-CE1 4.16Å; F275-Y316 HydrophobicContact CD2-CE1 4.48Å; F275-Y316 AromaticContact CE1-CD1 3.48Å; F275-Y316 HydrophobicContact CE1-CD1 3.48Å; F275-Y316 VanDerWaalsContact CE1-CD1 3.48Å; F275-Y316 AromaticContact CE1-CE1 3.74Å; F275-Y316 HydrophobicContact CE1-CE1 3.74Å; F275-Y316 HydrophobicContact CE2-CD1 4.35Å; F275-Y316 HydrophobicContact CE2-CE1 4.08Å; F275-Y316 AromaticContact CZ-CD1 3.53Å; F275-Y316 HydrophobicContact CZ-CD1 3.53Å; F275-Y316 AromaticContact CZ-CE1 3.69Å; F275-Y316 HydrophobicContact CZ-CE1 3.69Å; P301-Y316 HydrophobicContact CB-CD1 4.08Å; P301-Y316 HydrophobicContact CB-CD2 4.04Å; P301-Y316 HydrophobicContact CB-CE1 3.93Å; P301-Y316 HydrophobicContact CB-CE2 3.9Å; P301-Y316 HydrophobicContact CB-CG 4.15Å; P301-Y316 HydrophobicContact CG-CD1 4.02Å; P301-Y316 HydrophobicContact CG-CD2 4.16Å; P301-Y316 HydrophobicContact CG-CE1 4.38Å; P301-Y316 HydrophobicContact CG-CG 3.92Å; Q311-Y316 HydrophobicContact CB-CE2 3.8Å; Q311-Y316 WeakPolarHBondContact O-CE2 3.35Å; Q311-Y316 PolarHBondContact OE1-OH 3.11Å; T314-Y316 HydrophobicContact CG2-CE2 4.08Å; Y316-W319 PolarHBondContact O-N 3.26Å; Y316-V320 WeakPolarHBondContact O-CB 3.37Å; Y316-V320 VanDerWaalsContact O-CG2 3.29Å; Y316-V320 WeakPolarHBondContact O-CG2 3.45Å; Y316-V320 PolarHBondContact O-N 3.49Å
317S94.6Very high86.5Confident72 Ų7271.6 Ų71.650%0.50339%0.386SS..Hα-helixtrans-61.5-48.4176.6-179.90000111.5N315 W319 N321N315-S317 VanDerWaalsContact C-N 3.26Å; N315-S317 PolarHBondContact O-N 2.89Å; S317-W319 VanDerWaalsContact C-N 3.31Å; S317-W319 PolarHBondContact O-N 3.4Å; S317-N321 VanDerWaalsContact O-CB 3.27Å; S317-N321 WeakPolarHBondContact O-CB 3.35Å; S317-N321 VanDerWaalsContact O-CG 3.31Å; S317-N321 PolarHBondContact O-N 3.29Å; S317-N321 PolarHBondContact O-ND2 3.45Å; S317-N321 PolarHBondContact OG-ND2 2.89Å
318Q95.6Very high85.6Confident79 Ų7971.5 Ų71.537%0.36939%0.39SS..Hα-helixtrans-61.6-40.7175.5-176.3179.410.700111.6N315 R322 Y334N315-Q318 HydrophobicContact CB-CB 4.15Å; N315-Q318 WeakPolarHBondContact ND2-CB 3.42Å; N315-Q318 PolarHBondContact ND2-OE1 2.87Å; N315-Q318 PolarHBondContact O-N 3.5Å; N315-Q318 VanDerWaalsContact O-N 3.15Å; N315-Q318 WeakPolarHBondContact OD1-CB 3.26Å; N315-Q318 PolarHBondContact OD1-N 2.74Å; N315-Q318 VanDerWaalsContact OD1-N 3.12Å; Q318-R322 VanDerWaalsContact O-CB 3.26Å; Q318-R322 WeakPolarHBondContact O-CB 3.26Å; Q318-R322 PolarHBondContact O-N 3.47Å; Q318-R322 VanDerWaalsContact O-N 3.16Å; Q318-Y334 HydrophobicContact CB-CE1 4.43Å; Q318-Y334 HydrophobicContact CG-CD1 4.16Å; Q318-Y334 HydrophobicContact CG-CE1 3.86Å
319W96.3Very high85.5Confident1 Ų171.5 Ų71.50%0.00439%0.39CS..Hα-helixtrans-66.8-48.3-179.9-168.584.9000112.9P273 F275 K287 L290 N315 Y316 S317 R322 Y334 L383 N384 F387P273-W319 HydrophobicContact CB-CD2 4.38Å; P273-W319 HydrophobicContact CG-CD2 3.88Å; P273-W319 HydrophobicContact CG-CG 3.8Å; P273-W319 HydrophobicContact CG-CZ2 4.39Å; F275-W319 HydrophobicContact CE2-CE3 4.29Å; F275-W319 HydrophobicContact CE2-CH2 4.2Å; F275-W319 AromaticContact CE2-CZ3 3.83Å; F275-W319 HydrophobicContact CE2-CZ3 3.83Å; F275-W319 AromaticContact CZ-CE3 3.87Å; F275-W319 HydrophobicContact CZ-CE3 3.87Å; F275-W319 HydrophobicContact CZ-CH2 4.48Å; F275-W319 AromaticContact CZ-CZ3 3.67Å; F275-W319 HydrophobicContact CZ-CZ3 3.67Å; K287-W319 HydrophobicContact CB-CH2 4.17Å; K287-W319 HydrophobicContact CD-CH2 3.72Å; K287-W319 HydrophobicContact CD-CZ2 3.75Å; K287-W319 HydrophobicContact CD-CZ3 4.11Å; K287-W319 WeakPolarHBondContact CE-O 3.31Å; K287-W319 HydrophobicContact CG-CH2 3.61Å; K287-W319 HydrophobicContact CG-CZ2 4.14Å; K287-W319 HydrophobicContact CG-CZ3 3.96Å; K287-W319 PolarHBondContact NZ-O 2.86Å; L290-W319 HydrophobicContact CD2-CH2 3.66Å; L290-W319 HydrophobicContact CD2-CZ3 3.62Å; N315-W319 PolarHBondContact O-N 2.89Å; Y316-W319 PolarHBondContact O-N 3.26Å; S317-W319 VanDerWaalsContact C-N 3.31Å; S317-W319 PolarHBondContact O-N 3.4Å; W319-R322 PolarHBondContact O-N 2.79Å; W319-Y334 WeakPolarHBondContact CB-OH 3.42Å; W319-L383 PolarHBondContact NE1-O 3.13Å; W319-N384 PolarHBondContact NE1-O 3Å; W319-F387 HydrophobicContact CH2-CB 4.02Å; W319-F387 AromaticContact CH2-CD1 3.93Å; W319-F387 HydrophobicContact CH2-CD1 3.93Å; W319-F387 HydrophobicContact CH2-CG 4.28Å; W319-F387 HydrophobicContact CZ2-CB 4.21Å; W319-F387 HydrophobicContact CZ2-CD1 4.36Å
320V94.8Very high85.5Confident20 Ų2063.5 Ų63.512%0.12136%0.36CS..Hα-helixtrans-64.3-45.8-179.2166.80000111.1V291 Y294 Y316 R322V291-V320 HydrophobicContact CG1-CG1 4Å; V291-V320 HydrophobicContact CG2-CG1 4.09Å; V291-V320 HydrophobicContact CG2-CG2 4.49Å; Y294-V320 HydrophobicContact CD1-CG1 4.31Å; Y294-V320 HydrophobicContact CD1-CG2 4.4Å; Y294-V320 HydrophobicContact CE1-CG2 4.43Å; Y316-V320 WeakPolarHBondContact O-CB 3.37Å; Y316-V320 VanDerWaalsContact O-CG2 3.29Å; Y316-V320 WeakPolarHBondContact O-CG2 3.45Å; Y316-V320 PolarHBondContact O-N 3.49Å; V320-R322 VanDerWaalsContact C-N 3.27Å; V320-R322 PolarHBondContact O-N 3.44Å
321N91.6Very high85.4Confident110 Ų11065.3 Ų65.359%0.58837%0.369SS*.Hα-helixtrans-75.8-16-176.8-67.7-43.8000113.3S317 H323S317-N321 VanDerWaalsContact O-CB 3.27Å; S317-N321 WeakPolarHBondContact O-CB 3.35Å; S317-N321 VanDerWaalsContact O-CG 3.31Å; S317-N321 PolarHBondContact O-N 3.29Å; S317-N321 PolarHBondContact O-ND2 3.45Å; S317-N321 PolarHBondContact OG-ND2 2.89Å; N321-H323 PolarHBondContact O-N 3.12Å; N321-H323 VanDerWaalsContact O-N 3.1Å
322R87.8Confident85.4Confident106 Ų10666.6 Ų66.640%0.438%0.377SS..SBendtrans-73.2108.9175.7-171170.5-169.7155.3-11.7109.7K287 Q318 W319 V320 S324 A333K287-R322 PolarHBondContact NZ-O 3.43Å; Q318-R322 VanDerWaalsContact O-CB 3.26Å; Q318-R322 WeakPolarHBondContact O-CB 3.26Å; Q318-R322 PolarHBondContact O-N 3.47Å; Q318-R322 VanDerWaalsContact O-N 3.16Å; W319-R322 PolarHBondContact O-N 2.79Å; V320-R322 VanDerWaalsContact C-N 3.27Å; V320-R322 PolarHBondContact O-N 3.44Å; R322-S324 PolarHBondContact O-N 2.89Å; R322-A333 PolarHBondContact NH1-O 3.27Å; R322-A333 PolarHBondContact NH2-O 3.49Å
323H71.9Confident85.4Confident179 Ų17964.2 Ų64.283%0.82936%0.357SS*.  trans-55.1104.3169.4-66.2-68.3000109.7N321N321-H323 PolarHBondContact O-N 3.12Å; N321-H323 VanDerWaalsContact O-N 3.1Å
324S62.7Low85.5Confident36 Ų3664 Ų6425%0.25235%0.353SS..  trans-70.5119.8150.542.40000105.4R322 G326R322-S324 PolarHBondContact O-N 2.89Å; S324-G326 PolarHBondContact O-N 2.78Å
325Q54.6Low85.5Confident186 Ų18668.3 Ų68.387%0.86938%0.38SS*.  trans-63.284.3169.3-71.1-166.7-13.200108.4L327 G328Q325-L327 PolarHBondContact O-N 3.19Å; Q325-G328 WeakPolarHBondContact O-CA 3.19Å; Q325-G328 PolarHBondContact O-N 3.34Å
326G58.8Low85.4Confident62 Ų6266.9 Ų66.964%0.63937%0.372SS*.THydrogen-bonded Turntrans41.7-128.9179.100000114.5S324 G328S324-G326 PolarHBondContact O-N 2.78Å; G326-G328 PolarHBondContact O-N 2.73Å
327L58.8Low85.3Confident187 Ų18771 Ų7198%0.97940%0.403SS*.THydrogen-bonded Turntrans-6319174.7-71.3157.3000114.7Q325Q325-L327 PolarHBondContact O-N 3.19Å
328G74.6Confident85.4Confident28 Ų2868.8 Ų68.829%0.28938%0.384SS..PPolyproline II helixtrans-57.9153.9175.400000111.8Q325 G326Q325-G328 WeakPolarHBondContact O-CA 3.19Å; Q325-G328 PolarHBondContact O-N 3.34Å; G326-G328 PolarHBondContact O-N 2.73Å
329P89.5Confident85.4Confident83 Ų8368.8 Ų68.854%0.53939%0.389SS..PPolyproline II helixtrans-61.8149.2-176.127.4-35000111.2D331 N384P329-D331 PolarHBondContact O-N 3.43Å; P329-N384 PolarHBondContact O-ND2 3.32Å
330L94.1Very high85.3Confident3 Ų371.6 Ų71.62%0.01640%0.404CS..PPolyproline II helixtrans-59.3132.3168.4-174.373.4000109.3L251 Q254 F255 L258 R261 L383 S385 A386L251-L330 HydrophobicContact CD1-CD2 4.33Å; Q254-L330 HydrophobicContact CB-CB 3.88Å; Q254-L330 HydrophobicContact CB-CD2 4.04Å; F255-L330 HydrophobicContact CB-CD2 4.14Å; F255-L330 HydrophobicContact CD2-CD2 4.32Å; L258-L330 HydrophobicContact CD2-CD2 4.24Å; L258-L330 HydrophobicContact CD2-CG 4.31Å; R261-L330 PolarHBondContact NH1-O 3.28Å; L330-L383 HydrophobicContact CD1-CB 4.05Å; L330-L383 HydrophobicContact CD1-CD1 4.28Å; L330-L383 HydrophobicContact CD1-CD2 4.29Å; L330-L383 HydrophobicContact CD1-CG 4.45Å; L330-L383 HydrophobicContact CD2-CD1 4.17Å; L330-L383 HydrophobicContact CD2-CD2 4.34Å; L330-L383 HydrophobicContact CG-CD2 4.13Å; L330-S385 VanDerWaalsContact CD1-OG 3.31Å; L330-S385 WeakPolarHBondContact CD1-OG 3.44Å; L330-A386 HydrophobicContact CD1-CB 3.67Å
331D94.6Very high85.3Confident47 Ų4771.6 Ų71.625%0.25140%0.404SS..  trans-152.2168.6179.6-142.1-40000111.1R261 P329 A333 L383 N384R261-D331 IonicContact CZ-OD2 3.21Å; R261-D331 IonicContact NH1-OD2 2.72Å; R261-D331 IonicContact NH2-OD2 3.71Å; R261-D331 PolarHBondContact NH2-OD2 3.31Å; P329-D331 PolarHBondContact O-N 3.43Å; D331-A333 PolarHBondContact O-N 2.89Å; D331-L383 WeakPolarHBondContact O-CA 3.21Å; D331-N384 PolarHBondContact N-OD1 3.16Å; D331-N384 PolarHBondContact O-N 2.89Å; D331-N384 PolarHBondContact O-OD1 2.97Å; D331-N384 VanDerWaalsContact O-OD1 3.1Å
332V95.5Very high85.6Confident29 Ų2966.3 Ų66.318%0.17638%0.376CS..EExtended strand (participates in β ladder)trans-74.7120.4171.9173.30000109.1R262 F270R262-V332 VanDerWaalsContact CZ-CG2 3.46Å; F270-V332 HydrophobicContact CD1-CG2 4.14Å; F270-V332 HydrophobicContact CE1-CG2 3.99Å
333A95Very high85.9Confident11 Ų1162 Ų629%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-73.5-57.7172.800000110.3R322 D331 V382 N384R322-A333 PolarHBondContact NH1-O 3.27Å; R322-A333 PolarHBondContact NH2-O 3.49Å; D331-A333 PolarHBondContact O-N 2.89Å; A333-V382 WeakPolarHBondContact CB-O 3.34Å; A333-V382 PolarHBondContact N-O 3.43Å; A333-N384 HydrophobicContact CB-CB 4.01Å
334Y96.4Very high87.1Confident21 Ų2153.7 Ų53.78%0.08232%0.322CS..EExtended strand (participates in β ladder)trans-158.1159.2-176.149.4-90.4000110.4T314 N315 Q318 W319 L336 V382T314-Y334 PolarHBondContact O-OH 2.86Å; N315-Y334 PolarHBondContact O-OH 3.49Å; Q318-Y334 HydrophobicContact CB-CE1 4.43Å; Q318-Y334 HydrophobicContact CG-CD1 4.16Å; Q318-Y334 HydrophobicContact CG-CE1 3.86Å; W319-Y334 WeakPolarHBondContact CB-OH 3.42Å; Y334-L336 HydrophobicContact CD2-CD2 3.9Å; Y334-L336 HydrophobicContact CD2-CG 4.01Å; Y334-L336 HydrophobicContact CE2-CD1 4.16Å; Y334-L336 HydrophobicContact CE2-CD2 3.85Å; Y334-L336 HydrophobicContact CE2-CG 3.99Å; Y334-V382 HydrophobicContact CD2-CB 4.07Å; Y334-V382 HydrophobicContact CD2-CG2 3.93Å; Y334-V382 HydrophobicContact CE1-CB 4.38Å; Y334-V382 HydrophobicContact CE1-CG1 4.32Å; Y334-V382 HydrophobicContact CE2-CB 3.76Å; Y334-V382 HydrophobicContact CE2-CG1 4.16Å; Y334-V382 HydrophobicContact CE2-CG2 3.49Å; Y334-V382 VanDerWaalsContact CE2-CG2 3.49Å; Y334-V382 PolarHBondContact O-N 3.49Å
335T96.9Very high88.8Confident92 Ų9252 Ų5256%0.56431%0.311SS*.EExtended strand (participates in β ladder)trans-98.6147.2173.255.20000110.5F380T335-F380 CarbonylContact C-O 3.59Å; T335-F380 VanDerWaalsContact CA-O 3.24Å; T335-F380 WeakPolarHBondContact CA-O 3.32Å
336L94.2Very high90.9Very high35 Ų3543.7 Ų43.718%0.18327%0.271CS..EExtended strand (participates in β ladder)trans-116.8149.6178.7-68.4171.3000111.5P313 Y334 W342 F380 V382P313-L336 WeakPolarHBondContact O-CD1 3.37Å; P313-L336 WeakPolarHBondContact O-CD2 3.39Å; Y334-L336 HydrophobicContact CD2-CD2 3.9Å; Y334-L336 HydrophobicContact CD2-CG 4.01Å; Y334-L336 HydrophobicContact CE2-CD1 4.16Å; Y334-L336 HydrophobicContact CE2-CD2 3.85Å; Y334-L336 HydrophobicContact CE2-CG 3.99Å; L336-W342 HydrophobicContact CB-CH2 4.06Å; L336-W342 HydrophobicContact CB-CZ3 4.44Å; L336-W342 HydrophobicContact CD1-CH2 3.61Å; L336-W342 HydrophobicContact CD1-CZ2 3.65Å; L336-F380 HydrophobicContact CB-CB 4.44Å; L336-F380 PolarHBondContact N-O 3.33Å; L336-V382 HydrophobicContact CD1-CG2 3.4Å; L336-V382 HydrophobicContact CG-CG2 3.92Å
337S93.4Very high92.8Very high103 Ų10340.7 Ų40.772%0.7224%0.241SC*.  trans-84.5137.8160-64.60000108.8
338W96Very high94.6Very high27 Ų2731.9 Ų31.910%0.10220%0.195CC..  trans-67.1143.8176.2175.490.3000111D340 W342 A370 C371 H374 F380 C432W338-D340 HydrophobicContact CH2-CB 3.75Å; W338-D340 HydrophobicContact CZ2-CB 4.08Å; W338-W342 AromaticContact CD1-CE3 3.89Å; W338-A370 PolarHBondContact NE1-O 3.34Å; W338-C371 HydrophobicContact CH2-CB 4.45Å; W338-C371 HydrophobicContact CZ2-CB 3.78Å; W338-H374 HydrophobicContact CB-CB 3.71Å; W338-H374 HydrophobicContact CD2-CB 3.82Å; W338-H374 AromaticContact CD2-CD2 3.97Å; W338-H374 AromaticContact CD2-CG 3.85Å; W338-H374 HydrophobicContact CE3-CB 4.22Å; W338-H374 AromaticContact CE3-CD2 3.44Å; W338-H374 VanDerWaalsContact CE3-CD2 3.44Å; W338-H374 AromaticContact CE3-CG 3.79Å; W338-H374 AromaticContact CE3-NE2 3.96Å; W338-H374 HydrophobicContact CG-CB 3.57Å; W338-H374 AromaticContact CG-CG 3.78Å; W338-F380 HydrophobicContact CB-CD2 4.47Å; W338-F380 HydrophobicContact CB-CE2 3.93Å; W338-F380 HydrophobicContact CB-CZ 4.25Å; W338-F380 AromaticContact CD1-CZ 3.94Å; W338-F380 HydrophobicContact CG-CZ 4.42Å; W338-C432 HydrophobicContact CH2-CB 3.66Å; W338-C432 HydrophobicContact CZ2-CB 4.39Å; W338-C432 HydrophobicContact CZ3-CB 4.22Å
339V95.8Very high95.7Very high78 Ų7832 Ų3247%0.47319%0.188SC..  trans-141.9137.8177.5-179.50000109.3P313 W342P313-V339 HydrophobicContact CG-CB 4.14Å; V339-W342 WeakPolarHBondContact O-CB 3.28Å; V339-W342 PolarHBondContact O-N 3.28Å
340D94.5Very high95.9Very high61 Ų6132.9 Ų32.933%0.32618%0.18SC..THydrogen-bonded Turntrans-73136.7173.5-175.874.3000111.7W338W338-D340 HydrophobicContact CH2-CB 3.75Å; W338-D340 HydrophobicContact CZ2-CB 4.08Å
341P95.5Very high96Very high19 Ų1936.5 Ų36.512%0.12320%0.203CC..THydrogen-bonded Turncis-106.465.22.339.2-31.8000112.8R309 C310 I367R309-P341 HydrophobicContact CB-CG 4.35Å; C310-P341 WeakPolarHBondContact CA-O 3.47Å; P341-I367 HydrophobicContact CB-CD1 3.99Å; P341-I367 HydrophobicContact CB-CG1 4.37Å; P341-I367 HydrophobicContact CB-CG2 4.01Å
342W96.6Very high96.1Very high0 Ų034.4 Ų34.40%019%0.192CC..  trans-63.5136.3-175.5-167.728.1000113.6V271 C310 P313 T314 L336 W338 V339 P344 A370 F380V271-W342 HydrophobicContact CG1-CZ2 3.95Å; V271-W342 HydrophobicContact CG2-CH2 3.92Å; V271-W342 HydrophobicContact CG2-CZ2 4.18Å; C310-W342 CarbonylContact O-C 3.58Å; C310-W342 WeakPolarHBondContact O-CA 3.28Å; P313-W342 HydrophobicContact CB-CB 4.3Å; P313-W342 HydrophobicContact CB-CD2 3.95Å; P313-W342 HydrophobicContact CB-CG 3.81Å; P313-W342 HydrophobicContact CG-CB 3.94Å; P313-W342 HydrophobicContact CG-CG 3.9Å; T314-W342 PolarHBondContact OG1-NE1 3.49Å; L336-W342 HydrophobicContact CB-CH2 4.06Å; L336-W342 HydrophobicContact CB-CZ3 4.44Å; L336-W342 HydrophobicContact CD1-CH2 3.61Å; L336-W342 HydrophobicContact CD1-CZ2 3.65Å; W338-W342 AromaticContact CD1-CE3 3.89Å; V339-W342 WeakPolarHBondContact O-CB 3.28Å; V339-W342 PolarHBondContact O-N 3.28Å; W342-P344 VanDerWaalsContact C-CD 3.46Å; W342-P344 HydrophobicContact CD2-CB 4.19Å; W342-P344 HydrophobicContact CD2-CG 3.9Å; W342-P344 HydrophobicContact CE3-CG 4.2Å; W342-P344 HydrophobicContact CG-CG 4.35Å; W342-P344 HydrophobicContact CH2-CB 4.44Å; W342-P344 HydrophobicContact CZ2-CB 3.83Å; W342-P344 HydrophobicContact CZ2-CG 4.26Å; W342-P344 WeakPolarHBondContact O-CD 3.1Å; W342-A370 WeakPolarHBondContact O-CB 3.4Å; W342-F380 HydrophobicContact CE3-CD1 4.05Å; W342-F380 HydrophobicContact CE3-CE1 4.12Å; W342-F380 HydrophobicContact CH2-CB 3.76Å; W342-F380 AromaticContact CH2-CD1 3.59Å; W342-F380 HydrophobicContact CH2-CD1 3.59Å; W342-F380 HydrophobicContact CH2-CE1 4.43Å; W342-F380 AromaticContact CH2-CG 3.9Å; W342-F380 HydrophobicContact CH2-CG 3.9Å; W342-F380 HydrophobicContact CZ3-CB 3.81Å; W342-F380 AromaticContact CZ3-CD1 3.17Å; W342-F380 HydrophobicContact CZ3-CD1 3.17Å; W342-F380 HydrophobicContact CZ3-CD2 4.21Å; W342-F380 AromaticContact CZ3-CE1 3.68Å; W342-F380 HydrophobicContact CZ3-CE1 3.68Å; W342-F380 AromaticContact CZ3-CG 3.48Å; W342-F380 HydrophobicContact CZ3-CG 3.48Å; W342-F380 VanDerWaalsContact CZ3-CG 3.48Å; W342-F380 HydrophobicContact CZ3-CZ 4.4Å
343E95.2Very high96.2Very high16 Ų1634 Ų348%0.07519%0.19CC..  trans-125.562-177.6-160.2-179.2-174.500112.4C310 Q311 R366 I367C310-E343 HydrophobicContact CB-CB 4.25Å; C310-E343 PolarHBondContact O-N 2.99Å; Q311-E343 PolarHBondContact NE2-O 3.31Å; E343-R366 HydrophobicContact CG-CB 3.32Å; E343-R366 HydrophobicContact CG-CG 4.29Å; E343-R366 WeakPolarHBondContact OE1-CB 2.95Å; E343-I367 HydrophobicContact CB-CG1 4.09Å; E343-I367 HydrophobicContact CG-CG1 4.22Å
344P96.3Very high96.4Very high3 Ų338.4 Ų38.42%0.01921%0.211CC..  trans-71.3150.4-17529.2-33.6000113.1V271 W342 A370 F380V271-P344 HydrophobicContact CG1-CB 3.99Å; V271-P344 HydrophobicContact CG2-CB 4.3Å; W342-P344 VanDerWaalsContact C-CD 3.46Å; W342-P344 HydrophobicContact CD2-CB 4.19Å; W342-P344 HydrophobicContact CD2-CG 3.9Å; W342-P344 HydrophobicContact CE3-CG 4.2Å; W342-P344 HydrophobicContact CG-CG 4.35Å; W342-P344 HydrophobicContact CH2-CB 4.44Å; W342-P344 HydrophobicContact CZ2-CB 3.83Å; W342-P344 HydrophobicContact CZ2-CG 4.26Å; W342-P344 WeakPolarHBondContact O-CD 3.1Å; P344-A370 HydrophobicContact CG-CB 4.1Å; P344-F380 HydrophobicContact CG-CE1 4.38Å
345F98.3Very high96.4Very high1 Ų137.6 Ų37.60%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-90.8138.2156.8-69.3-100.5000108.5I241 M245 V271 L272 A274 F302 R366 V388I241-F345 HydrophobicContact CG2-CD1 4.04Å; I241-F345 HydrophobicContact CG2-CE1 4.5Å; M245-F345 HydrophobicContact CE-CE1 3.94Å; M245-F345 HydrophobicContact CE-CE2 4.06Å; M245-F345 HydrophobicContact CE-CZ 3.68Å; M245-F345 HydrophobicContact CG-CE1 4.46Å; M245-F345 HydrophobicContact SD-CZ 4.38Å; V271-F345 WeakPolarHBondContact CA-O 3.31Å; L272-F345 PolarHBondContact N-O 3.24Å; A274-F345 HydrophobicContact CB-CD2 3.45Å; A274-F345 VanDerWaalsContact CB-CD2 3.45Å; A274-F345 HydrophobicContact CB-CE2 3.73Å; A274-F345 HydrophobicContact CB-CG 4.38Å; F302-F345 HydrophobicContact CD1-CE2 4.02Å; F302-F345 HydrophobicContact CE1-CE2 4.06Å; F302-F345 HydrophobicContact CE1-CZ 4.24Å; F345-R366 VanDerWaalsContact CE1-NH2 3.3Å; F345-V388 HydrophobicContact CB-CG2 3.94Å; F345-V388 HydrophobicContact CD1-CG2 4.17Å; F345-V388 HydrophobicContact CD2-CG2 4.11Å; F345-V388 HydrophobicContact CG-CG2 3.82Å
346Y98.5Very high96.5Very high11 Ų1135.1 Ų35.14%0.04319%0.191CC..EExtended strand (participates in β ladder)trans-149.8154.4-175.864.5-93.1000112.7L239 I269 F270 V352 Q369 L373L239-Y346 WeakPolarHBondContact CD1-O 3.39Å; I269-Y346 HydrophobicContact CB-CD2 4Å; I269-Y346 HydrophobicContact CB-CG 4.33Å; I269-Y346 HydrophobicContact CD1-CD1 4.07Å; I269-Y346 HydrophobicContact CD1-CD2 4.12Å; I269-Y346 HydrophobicContact CD1-CG 3.79Å; I269-Y346 HydrophobicContact CG2-CD2 3.94Å; I269-Y346 HydrophobicContact CG2-CE2 4.25Å; F270-Y346 CarbonylContact O-C 3.54Å; F270-Y346 WeakPolarHBondContact O-CA 3.23Å; F270-Y346 WeakPolarHBondContact O-CB 3.35Å; Y346-V352 HydrophobicContact CE2-CG1 4.21Å; Y346-Q369 HydrophobicContact CE1-CG 4.32Å; Y346-Q369 WeakPolarHBondContact OH-CG 3.48Å; Y346-Q369 PolarHBondContact OH-NE2 2.95Å; Y346-L373 HydrophobicContact CD1-CD1 4.39Å; Y346-L373 HydrophobicContact CE1-CD1 3.7Å; Y346-L373 HydrophobicContact CE2-CD1 4.26Å
347I98.6Very high96.6Very high0 Ų035.8 Ų35.80%019%0.193CC..EExtended strand (participates in β ladder)trans-93.1127.4159.6-59.6162.6000107L108 Y237 L239 L251 F255 F270 L272 L383L108-I347 HydrophobicContact CD1-CG1 4.37Å; L108-I347 HydrophobicContact CD1-CG2 3.64Å; L108-I347 HydrophobicContact CD2-CD1 4.05Å; Y237-I347 HydrophobicContact CD1-CG2 4.2Å; Y237-I347 HydrophobicContact CG-CG2 4.38Å; L239-I347 HydrophobicContact CB-CG1 3.99Å; L239-I347 HydrophobicContact CD1-CG1 4.1Å; L239-I347 HydrophobicContact CG-CG1 4.41Å; L251-I347 HydrophobicContact CD1-CD1 4.25Å; L251-I347 HydrophobicContact CD2-CD1 4.43Å; L251-I347 HydrophobicContact CG-CD1 4.48Å; F255-I347 HydrophobicContact CB-CD1 4.47Å; F255-I347 HydrophobicContact CD1-CG2 4.44Å; F255-I347 HydrophobicContact CD2-CD1 3.56Å; F255-I347 HydrophobicContact CD2-CG2 4.45Å; F255-I347 HydrophobicContact CE1-CG2 3.84Å; F255-I347 HydrophobicContact CE2-CB 4.19Å; F255-I347 HydrophobicContact CE2-CD1 3.89Å; F255-I347 HydrophobicContact CE2-CG2 3.85Å; F255-I347 HydrophobicContact CG-CD1 3.97Å; F255-I347 HydrophobicContact CZ-CB 4.31Å; F255-I347 HydrophobicContact CZ-CG2 3.5Å; F270-I347 HydrophobicContact CB-CB 4.23Å; F270-I347 PolarHBondContact N-O 2.86Å; F270-I347 PolarHBondContact O-N 2.99Å; L272-I347 HydrophobicContact CD1-CD1 3.94Å; L272-I347 HydrophobicContact CD1-CG1 3.83Å; I347-L383 HydrophobicContact CD1-CD1 4.37Å
348G97.8Very high96.8Very high2 Ų235.5 Ų35.52%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-134.4155.4178.600000111.8Y237 I238Y237-G348 WeakPolarHBondContact CA-O 3.39Å; I238-G348 PolarHBondContact N-O 2.95Å; I238-G348 PolarHBondContact O-N 3.41Å; I238-G348 VanDerWaalsContact O-N 3.17Å
349H96.8Very high96.8Very high29 Ų2934.2 Ų34.213%0.13418%0.179CC..EExtended strand (participates in β ladder)trans-60.5151172.4-172.7-106.1000110.4N236 Y237 T351 V352N236-H349 CarbonylContact O-C 3.45Å; N236-H349 VanDerWaalsContact O-CA 3.3Å; N236-H349 WeakPolarHBondContact O-CA 3.29Å; N236-H349 PolarHBondContact O-CD2 2.59Å; Y237-H349 HydrophobicContact CD1-CB 4.37Å; Y237-H349 HydrophobicContact CE1-CB 4.12Å; H349-T351 VanDerWaalsContact CE1-CG2 3.49Å; H349-T351 WeakPolarHBondContact CE1-CG2 3.38Å; H349-T351 WeakPolarHBondContact ND1-CG2 3.44Å; H349-T351 PolarHBondContact ND1-N 2.87Å; H349-T351 PolarHBondContact ND1-OG1 3.2Å; H349-T351 PolarHBondContact O-N 3.3Å; H349-V352 WeakPolarHBondContact O-CB 3.42Å; H349-V352 VanDerWaalsContact O-CG2 3.31Å; H349-V352 WeakPolarHBondContact O-CG2 3.34Å; H349-V352 PolarHBondContact O-N 2.99Å
350R94.8Very high96.7Very high102 Ų10232.3 Ų32.339%0.38516%0.163SC..THydrogen-bonded Turntrans-59.3-20-176.469.3-179.3-63.4172.50.6113.8E234 N236 I238 V352E234-R350 PolarHBondContact O-NH1 3.35Å; E234-R350 IonicContact OE2-CZ 3.53Å; E234-R350 IonicContact OE2-NH1 3.54Å; E234-R350 PolarHBondContact OE2-NH1 2.99Å; E234-R350 IonicContact OE2-NH2 3.04Å; E234-R350 PolarHBondContact OE2-NH2 3.14Å; N236-R350 PolarHBondContact O-N 2.87Å; I238-R350 HydrophobicContact CD1-CB 4.16Å; R350-V352 VanDerWaalsContact C-N 3.29Å; R350-V352 PolarHBondContact O-N 2.9Å
351T95.6Very high96.5Very high79 Ų7929.5 Ų29.549%0.48515%0.148SC..THydrogen-bonded Turntrans-77.9-6.3176.159.10000114.4H349 Y378H349-T351 VanDerWaalsContact CE1-CG2 3.49Å; H349-T351 WeakPolarHBondContact CE1-CG2 3.38Å; H349-T351 WeakPolarHBondContact ND1-CG2 3.44Å; H349-T351 PolarHBondContact ND1-N 2.87Å; H349-T351 PolarHBondContact ND1-OG1 3.2Å; H349-T351 PolarHBondContact O-N 3.3Å; T351-Y378 PolarHBondContact O-OH 3.27Å
352V97.2Very high96.2Very high4 Ų430.1 Ų30.12%0.02415%0.148CC..SBendtrans-51.3133.2171.5158.20000109.6R230 I269 Y346 H349 R350 L354 L373 Y378R230-V352 PolarHBondContact NH2-O 3.31Å; I269-V352 HydrophobicContact CG2-CG2 3.93Å; Y346-V352 HydrophobicContact CE2-CG1 4.21Å; H349-V352 WeakPolarHBondContact O-CB 3.42Å; H349-V352 VanDerWaalsContact O-CG2 3.31Å; H349-V352 WeakPolarHBondContact O-CG2 3.34Å; H349-V352 PolarHBondContact O-N 2.99Å; R350-V352 VanDerWaalsContact C-N 3.29Å; R350-V352 PolarHBondContact O-N 2.9Å; V352-L354 PolarHBondContact O-N 3.3Å; V352-L373 HydrophobicContact CB-CD2 4.42Å; V352-L373 HydrophobicContact CG1-CD2 3.72Å; V352-L373 HydrophobicContact CG2-CD2 4.07Å; V352-Y378 WeakPolarHBondContact CA-OH 3.12Å; V352-Y378 HydrophobicContact CG2-CD1 4.31Å; V352-Y378 HydrophobicContact CG2-CE1 3.58Å
353P97.6Very high96Very high19 Ų1930.6 Ų30.612%0.12315%0.153CC..  trans-44.8141.3176.8-30.734.8000112.9R230 Q369 E372 A376 Y378R230-P353 PolarHBondContact NH1-O 2.99Å; P353-Q369 PolarHBondContact O-NE2 3.11Å; P353-E372 HydrophobicContact CB-CG 4.17Å; P353-E372 HydrophobicContact CG-CG 4.27Å; P353-A376 HydrophobicContact CG-CB 4.48Å; P353-Y378 HydrophobicContact CG-CE2 4.44Å
354L97.8Very high96Very high104 Ų10431.2 Ų31.255%0.54516%0.156SC..  trans-65.3150.4172.5-67-178.5000110N227 V352N227-L354 HydrophobicContact CB-CD2 4.35Å; V352-L354 PolarHBondContact O-N 3.3Å
355Y98.1Very high96Very high5 Ų531.7 Ų31.72%0.0216%0.158CC..  trans-64.8137.2175.1-68.9-96.8000109.8R226 N227 V240 E357 R366 Q369R226-Y355 HydrophobicContact CB-CD2 3.73Å; R226-Y355 HydrophobicContact CB-CE2 3.95Å; R226-Y355 HydrophobicContact CB-CG 4.28Å; R226-Y355 HydrophobicContact CG-CE2 4.49Å; N227-Y355 PolarHBondContact ND2-O 2.98Å; N227-Y355 PolarHBondContact OD1-N 3.4Å; V240-Y355 HydrophobicContact CG1-CE2 4.42Å; V240-Y355 HydrophobicContact CG2-CE2 4.44Å; Y355-E357 PolarHBondContact O-N 3.35Å; Y355-E357 VanDerWaalsContact O-N 3.15Å; Y355-R366 HydrophobicContact CE1-CG 4.48Å; Y355-Q369 VanDerWaalsContact CA-OE1 3.32Å; Y355-Q369 HydrophobicContact CD1-CB 3.75Å; Y355-Q369 HydrophobicContact CD1-CG 3.85Å; Y355-Q369 HydrophobicContact CE1-CB 3.65Å; Y355-Q369 HydrophobicContact CE1-CG 3.51Å
356D97.8Very high95.9Very high40 Ų4032 Ų3221%0.21416%0.159CC..  trans-67.2114175-174.5-47000110.3N223 N358 F359 F417N223-D356 WeakPolarHBondContact CB-O 3.4Å; N223-D356 PolarHBondContact ND2-O 2.77Å; D356-N358 PolarHBondContact O-N 3.37Å; D356-N358 WeakPolarHBondContact OD1-CB 3.41Å; D356-N358 PolarHBondContact OD1-N 2.89Å; D356-N358 PolarHBondContact OD1-ND2 3.23Å; D356-F359 HydrophobicContact CB-CD2 3.83Å; D356-F359 HydrophobicContact CB-CE2 4.06Å; D356-F359 PolarHBondContact O-N 3.22Å; D356-F417 HydrophobicContact CB-CD2 4.24Å; D356-F417 HydrophobicContact CB-CE2 3.74Å; D356-F417 WeakPolarHBondContact OD2-CD2 3.06Å; D356-F417 WeakPolarHBondContact OD2-CE2 3.04Å
357E97.4Very high95.8Very high48 Ų4832 Ų3222%0.22416%0.16CC..THydrogen-bonded Turntrans-74.7-5.8-172.3-57.7-175.4169.500113.6L224 N227 Y355 F359 R360L224-E357 HydrophobicContact CB-CG 4.27Å; N227-E357 VanDerWaalsContact ND2-CG 3.31Å; N227-E357 WeakPolarHBondContact ND2-CG 3.32Å; N227-E357 PolarHBondContact ND2-OE1 3.18Å; Y355-E357 PolarHBondContact O-N 3.35Å; Y355-E357 VanDerWaalsContact O-N 3.15Å; E357-F359 VanDerWaalsContact C-N 3.3Å; E357-R360 PolarHBondContact O-NE 3.01Å
358N95.9Very high95.8Very high97 Ų9732 Ų3252%0.51916%0.16SC..THydrogen-bonded Turntrans-73-26.5171.6-58.2-60.9000111.5D356 R360 L413D356-N358 PolarHBondContact O-N 3.37Å; D356-N358 WeakPolarHBondContact OD1-CB 3.41Å; D356-N358 PolarHBondContact OD1-N 2.89Å; D356-N358 PolarHBondContact OD1-ND2 3.23Å; N358-R360 PolarHBondContact O-N 3.01Å; N358-L413 HydrophobicContact CB-CD1 4.26Å; N358-L413 HydrophobicContact CB-CD2 3.72Å; N358-L413 WeakPolarHBondContact O-CD2 3.34Å
359F96.6Very high95.8Very high0 Ų031.9 Ų31.90%016%0.159CC..  trans-77.9113.1172.6-65.5-91.1000110.2D356 E357 F364 N365 N410 L413 F414 F417D356-F359 HydrophobicContact CB-CD2 3.83Å; D356-F359 HydrophobicContact CB-CE2 4.06Å; D356-F359 PolarHBondContact O-N 3.22Å; E357-F359 VanDerWaalsContact C-N 3.3Å; F359-F364 HydrophobicContact CD1-CB 4.06Å; F359-F364 HydrophobicContact CE1-CB 3.88Å; F359-N365 HydrophobicContact CB-CB 3.97Å; F359-N410 HydrophobicContact CD1-CB 4.14Å; F359-L413 HydrophobicContact CD1-CD2 3.82Å; F359-L413 HydrophobicContact CD1-CG 4.4Å; F359-L413 HydrophobicContact CD2-CD2 4.01Å; F359-L413 HydrophobicContact CE1-CB 4.21Å; F359-L413 HydrophobicContact CE1-CD2 3.9Å; F359-L413 HydrophobicContact CE1-CG 3.96Å; F359-L413 HydrophobicContact CE2-CD2 4.09Å; F359-L413 HydrophobicContact CE2-CG 4.2Å; F359-L413 HydrophobicContact CG-CD2 3.88Å; F359-L413 HydrophobicContact CZ-CB 4.47Å; F359-L413 HydrophobicContact CZ-CD2 4.04Å; F359-L413 HydrophobicContact CZ-CG 3.85Å; F359-F414 HydrophobicContact CE1-CB 4.02Å; F359-F414 HydrophobicContact CZ-CB 4.19Å; F359-F414 HydrophobicContact CZ-CD2 4.2Å; F359-F417 HydrophobicContact CE2-CB 4.14Å; F359-F417 AromaticContact CE2-CD2 3.89Å; F359-F417 HydrophobicContact CE2-CD2 3.89Å; F359-F417 HydrophobicContact CE2-CE2 4.41Å; F359-F417 AromaticContact CE2-CG 3.93Å; F359-F417 HydrophobicContact CE2-CG 3.93Å; F359-F417 HydrophobicContact CZ-CB 3.91Å; F359-F417 HydrophobicContact CZ-CD1 4.48Å; F359-F417 HydrophobicContact CZ-CD2 4.47Å; F359-F417 HydrophobicContact CZ-CG 4.06Å
360R93.9Very high95.8Very high39 Ų3930.6 Ų30.615%0.14715%0.153CC..  trans-128.7152.9-178.3-56.9175.8-170.6177.6-0.8109.6N222 E357 N358 R409 N410N222-R360 VanDerWaalsContact OD1-CA 3.31Å; N222-R360 WeakPolarHBondContact OD1-CA 3.02Å; E357-R360 PolarHBondContact O-NE 3.01Å; N358-R360 PolarHBondContact O-N 3.01Å; R360-R409 PolarHBondContact O-NH2 3.47Å; R360-N410 PolarHBondContact O-ND2 3.49Å
361Q90.8Very high96Very high1 Ų125.8 Ų25.81%0.00514%0.135CC..SBendtrans57.9-148.8-177.7-55.2-84.968.100112.6Y210 Y220 N222 N365 E406Y210-Q361 PolarHBondContact O-NE2 3.29Å; Y210-Q361 PolarHBondContact O-OE1 3.29Å; Y220-Q361 PolarHBondContact O-N 3.46Å; Y220-Q361 VanDerWaalsContact O-N 3.11Å; N222-Q361 PolarHBondContact OD1-N 2.92Å; N222-Q361 PolarHBondContact OD1-O 2.91Å; Q361-N365 PolarHBondContact O-ND2 3.4Å; Q361-E406 HydrophobicContact CB-CB 4.28Å; Q361-E406 HydrophobicContact CB-CG 4.08Å; Q361-E406 WeakPolarHBondContact CB-OE2 3.49Å; Q361-E406 HydrophobicContact CG-CG 4.4Å; Q361-E406 WeakPolarHBondContact CG-OE1 3.19Å; Q361-E406 PolarHBondContact NE2-OE1 3.47Å
362Y89.4Confident96.1Very high33 Ų3322.1 Ų22.113%0.12911%0.112CC..SBendtrans-75.6138.6-170-171.4-85000113.6F399 K403 N407 N410Y362-F399 HydrophobicContact CD2-CD1 4.07Å; Y362-F399 AromaticContact CD2-CE1 3.9Å; Y362-F399 HydrophobicContact CD2-CE1 3.9Å; Y362-F399 AromaticContact CE2-CD1 3.95Å; Y362-F399 HydrophobicContact CE2-CD1 3.95Å; Y362-F399 AromaticContact CE2-CE1 3.45Å; Y362-F399 HydrophobicContact CE2-CE1 3.45Å; Y362-F399 VanDerWaalsContact CE2-CE1 3.45Å; Y362-F399 HydrophobicContact CE2-CZ 4.02Å; Y362-K403 HydrophobicContact CD1-CD 4.32Å; Y362-K403 HydrophobicContact CD1-CG 3.66Å; Y362-K403 HydrophobicContact CD2-CG 3.8Å; Y362-K403 HydrophobicContact CE1-CD 4.29Å; Y362-K403 HydrophobicContact CE1-CG 4.09Å; Y362-K403 HydrophobicContact CE2-CG 4.19Å; Y362-K403 HydrophobicContact CG-CG 3.5Å; Y362-N407 HydrophobicContact CD1-CB 3.94Å; Y362-N407 HydrophobicContact CE1-CB 4.33Å; Y362-N410 PolarHBondContact O-ND2 2.83Å
363G92.3Very high96.2Very high10 Ų1022 Ų2210%0.10311%0.111CC..SBendtrans90144.9167.200000114.9N365 N407 N410G363-N365 PolarHBondContact O-N 3.48Å; G363-N407 WeakPolarHBondContact CA-OD1 3.49Å; G363-N410 WeakPolarHBondContact O-CB 3.46Å; G363-N410 PolarHBondContact O-ND2 2.89Å
364F95.7Very high96.2Very high28 Ų2822.6 Ų22.612%0.12311%0.113CC..SBendtrans55.6-0.3175.6-62.5-93.1000117.6F359 I367 S368 N407 N410 R411 F414F359-F364 HydrophobicContact CD1-CB 4.06Å; F359-F364 HydrophobicContact CE1-CB 3.88Å; F364-I367 HydrophobicContact CD1-CD1 4.33Å; F364-I367 HydrophobicContact CD1-CG2 4.36Å; F364-S368 VanDerWaalsContact O-CB 3.23Å; F364-S368 WeakPolarHBondContact O-CB 3.24Å; F364-S368 PolarHBondContact O-N 3.46Å; F364-S368 PolarHBondContact O-OG 2.85Å; F364-N407 WeakPolarHBondContact CE2-OD1 3.47Å; F364-N410 HydrophobicContact CB-CB 4.14Å; F364-N410 HydrophobicContact CD2-CB 4.28Å; F364-R411 HydrophobicContact CD2-CB 4.01Å; F364-R411 HydrophobicContact CE1-CG 4.28Å; F364-R411 HydrophobicContact CE2-CB 3.47Å; F364-R411 VanDerWaalsContact CE2-CB 3.47Å; F364-R411 HydrophobicContact CE2-CG 3.85Å; F364-R411 HydrophobicContact CZ-CB 3.79Å; F364-R411 HydrophobicContact CZ-CG 3.61Å; F364-F414 HydrophobicContact CB-CB 4.31Å; F364-F414 HydrophobicContact CD1-CB 3.81Å; F364-F414 AromaticContact CD1-CD1 3.55Å; F364-F414 HydrophobicContact CD1-CD1 3.55Å; F364-F414 HydrophobicContact CD1-CD2 4.44Å; F364-F414 HydrophobicContact CD1-CE1 4.21Å; F364-F414 AromaticContact CD1-CG 3.69Å; F364-F414 HydrophobicContact CD1-CG 3.69Å; F364-F414 HydrophobicContact CE1-CB 4.5Å; F364-F414 AromaticContact CE1-CD1 3.78Å; F364-F414 HydrophobicContact CE1-CD1 3.78Å; F364-F414 HydrophobicContact CE1-CE1 4.36Å; F364-F414 HydrophobicContact CE1-CG 4.34Å; F364-F414 HydrophobicContact CG-CB 4.2Å; F364-F414 HydrophobicContact CG-CG 4.46Å
365N94.8Very high96.2Very high14 Ų1417.8 Ų17.88%0.0759%0.088CC..Hα-helixtrans-72.4-40.6-174.562.861.2000114.5N222 N223 R226 F359 Q361 G363 S368N222-N365 VanDerWaalsContact ND2-CB 3.26Å; N222-N365 WeakPolarHBondContact ND2-CB 3.38Å; N223-N365 PolarHBondContact ND2-O 3.25Å; R226-N365 PolarHBondContact NH1-OD1 2.95Å; R226-N365 PolarHBondContact NH2-OD1 3.32Å; F359-N365 HydrophobicContact CB-CB 3.97Å; Q361-N365 PolarHBondContact O-ND2 3.4Å; G363-N365 PolarHBondContact O-N 3.48Å; N365-S368 PolarHBondContact O-OG 3.47Å; N365-S368 VanDerWaalsContact O-OG 3.04Å
366R95.6Very high96.2Very high8 Ų819 Ų193%0.0310%0.099CC..Hα-helixtrans-89.8-28.6172.2-79.3178.6178.9-91.1-3.4111.6V240 D242 E343 F345 Y355 S368 Q369 A370V240-R366 PolarHBondContact O-NH1 3.17Å; V240-R366 PolarHBondContact O-NH2 2.97Å; D242-R366 IonicContact OD1-CZ 3.59Å; D242-R366 IonicContact OD1-NE 3.27Å; D242-R366 IonicContact OD1-NH2 3.65Å; D242-R366 PolarHBondContact OD1-NH2 2.96Å; E343-R366 HydrophobicContact CG-CB 3.32Å; E343-R366 HydrophobicContact CG-CG 4.29Å; E343-R366 WeakPolarHBondContact OE1-CB 2.95Å; F345-R366 VanDerWaalsContact CE1-NH2 3.3Å; Y355-R366 HydrophobicContact CE1-CG 4.48Å; R366-S368 VanDerWaalsContact C-N 3.31Å; R366-S368 PolarHBondContact O-N 3.2Å; R366-Q369 WeakPolarHBondContact O-CB 3.45Å; R366-Q369 PolarHBondContact O-N 2.93Å; R366-A370 PolarHBondContact O-N 3.01Å
367I97.3Very high96.2Very high9 Ų918.2 Ų18.25%0.04610%0.1CC..Hα-helixtrans-59.9-43.6173.1-62.4163000110.2P341 E343 F364 Q369 A370 C371 F414P341-I367 HydrophobicContact CB-CD1 3.99Å; P341-I367 HydrophobicContact CB-CG1 4.37Å; P341-I367 HydrophobicContact CB-CG2 4.01Å; E343-I367 HydrophobicContact CB-CG1 4.09Å; E343-I367 HydrophobicContact CG-CG1 4.22Å; F364-I367 HydrophobicContact CD1-CD1 4.33Å; F364-I367 HydrophobicContact CD1-CG2 4.36Å; I367-Q369 VanDerWaalsContact C-N 3.33Å; I367-Q369 PolarHBondContact O-N 3.04Å; I367-A370 PolarHBondContact O-N 2.84Å; I367-C371 WeakPolarHBondContact O-CB 3.32Å; I367-C371 PolarHBondContact O-N 2.71Å; I367-F414 HydrophobicContact CG2-CE1 4.43Å; I367-F414 HydrophobicContact CG2-CZ 4.11Å
368S98Very high96.2Very high0 Ų016.9 Ų16.90%09%0.093CC..Hα-helixtrans-62.2-40175.463.50000112.4F364 N365 R366 C371 E372 F417F364-S368 VanDerWaalsContact O-CB 3.23Å; F364-S368 WeakPolarHBondContact O-CB 3.24Å; F364-S368 PolarHBondContact O-N 3.46Å; F364-S368 PolarHBondContact O-OG 2.85Å; N365-S368 PolarHBondContact O-OG 3.47Å; N365-S368 VanDerWaalsContact O-OG 3.04Å; R366-S368 VanDerWaalsContact C-N 3.31Å; R366-S368 PolarHBondContact O-N 3.2Å; S368-C371 WeakPolarHBondContact O-CB 3.45Å; S368-C371 PolarHBondContact O-N 3.23Å; S368-E372 PolarHBondContact O-N 2.75Å; S368-F417 WeakPolarHBondContact O-CE1 3.33Å
369Q97.9Very high96.3Very high1 Ų117.2 Ų17.21%0.0059%0.087CC..Hα-helixtrans-60.8-47.4174.4-175.867.51800112.2Y346 P353 Y355 R366 I367 C371 E372 L373Y346-Q369 HydrophobicContact CE1-CG 4.32Å; Y346-Q369 WeakPolarHBondContact OH-CG 3.48Å; Y346-Q369 PolarHBondContact OH-NE2 2.95Å; P353-Q369 PolarHBondContact O-NE2 3.11Å; Y355-Q369 VanDerWaalsContact CA-OE1 3.32Å; Y355-Q369 HydrophobicContact CD1-CB 3.75Å; Y355-Q369 HydrophobicContact CD1-CG 3.85Å; Y355-Q369 HydrophobicContact CE1-CB 3.65Å; Y355-Q369 HydrophobicContact CE1-CG 3.51Å; R366-Q369 WeakPolarHBondContact O-CB 3.45Å; R366-Q369 PolarHBondContact O-N 2.93Å; I367-Q369 VanDerWaalsContact C-N 3.33Å; I367-Q369 PolarHBondContact O-N 3.04Å; Q369-C371 VanDerWaalsContact C-N 3.33Å; Q369-C371 PolarHBondContact O-N 3.06Å; Q369-E372 PolarHBondContact O-N 2.83Å; Q369-L373 HydrophobicContact CG-CD1 4.24Å; Q369-L373 WeakPolarHBondContact O-CB 3.23Å; Q369-L373 VanDerWaalsContact O-CG 3.31Å; Q369-L373 WeakPolarHBondContact O-CG 3.14Å; Q369-L373 PolarHBondContact O-N 2.89Å
370A97.8Very high96.4Very high2 Ų217.4 Ų17.42%0.0179%0.088CC..Hα-helixtrans-64.6-39.9179.600000112W338 W342 P344 R366 I367 L373 H374W338-A370 PolarHBondContact NE1-O 3.34Å; W342-A370 WeakPolarHBondContact O-CB 3.4Å; P344-A370 HydrophobicContact CG-CB 4.1Å; R366-A370 PolarHBondContact O-N 3.01Å; I367-A370 PolarHBondContact O-N 2.84Å; A370-L373 PolarHBondContact O-N 2.97Å; A370-H374 PolarHBondContact O-N 3.45Å
371C98.1Very high96.6Very high0 Ų015.6 Ų15.60%08%0.081CC..Hα-helixtrans-58.6-49.8171.9160.40000111.6W338 I367 S368 Q369 L373 H374 V375 F414 L421 C432W338-C371 HydrophobicContact CH2-CB 4.45Å; W338-C371 HydrophobicContact CZ2-CB 3.78Å; I367-C371 WeakPolarHBondContact O-CB 3.32Å; I367-C371 PolarHBondContact O-N 2.71Å; S368-C371 WeakPolarHBondContact O-CB 3.45Å; S368-C371 PolarHBondContact O-N 3.23Å; Q369-C371 VanDerWaalsContact C-N 3.33Å; Q369-C371 PolarHBondContact O-N 3.06Å; C371-L373 PolarHBondContact O-N 2.85Å; C371-H374 WeakPolarHBondContact O-CB 3.17Å; C371-H374 PolarHBondContact O-N 3.39Å; C371-V375 WeakPolarHBondContact O-CG2 3.42Å; C371-V375 PolarHBondContact O-N 3.16Å; C371-F414 HydrophobicContact CB-CE2 4.02Å; C371-F414 HydrophobicContact CB-CZ 4.1Å; C371-L421 WeakPolarHBondContact SG-CD1 3.48Å; C371-C432 WeakPolarHBondContact CA-SG 3.4Å; C371-C432 HydrophobicContact CB-CB 4.06Å; C371-C432 WeakPolarHBondContact CB-SG 3.3Å; C371-C432 PolarHBondContact O-SG 3.17Å; C371-C432 WeakPolarHBondContact SG-CB 3.34Å; C371-C432 CovalentContact SG-SG 2.01Å; C371-C432 PolarHBondContact SG-SG 3.16Å
372E98.5Very high96.9Very high3 Ų315.5 Ų15.51%0.0148%0.08CC..Hα-helixtrans-62.8-42.9178.3176.8163.4-168.900112.3P353 S368 Q369 H374 V375 A376 F417 L421 K424 Y425P353-E372 HydrophobicContact CB-CG 4.17Å; P353-E372 HydrophobicContact CG-CG 4.27Å; S368-E372 PolarHBondContact O-N 2.75Å; Q369-E372 PolarHBondContact O-N 2.83Å; E372-H374 VanDerWaalsContact C-N 3.29Å; E372-H374 PolarHBondContact O-N 3.3Å; E372-V375 PolarHBondContact O-N 3.02Å; E372-A376 WeakPolarHBondContact O-CB 3.39Å; E372-A376 PolarHBondContact O-N 3.27Å; E372-F417 HydrophobicContact CB-CE1 4.33Å; E372-F417 HydrophobicContact CB-CZ 3.95Å; E372-L421 HydrophobicContact CB-CD1 4.32Å; E372-L421 HydrophobicContact CB-CD2 3.96Å; E372-L421 HydrophobicContact CG-CD2 3.8Å; E372-K424 VanDerWaalsContact OE1-CE 3.32Å; E372-K424 WeakPolarHBondContact OE1-CE 3.48Å; E372-K424 IonicContact OE1-NZ 3.5Å; E372-K424 PolarHBondContact OE1-NZ 3.04Å; E372-K424 IonicContact OE2-NZ 3.14Å; E372-Y425 HydrophobicContact CG-CE2 3.92Å; E372-Y425 WeakPolarHBondContact OE1-CE2 3.44Å; E372-Y425 PolarHBondContact OE1-OH 3.08Å
373L98.3Very high97.3Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-55.6-45.7174.4-75.8169.9000111.6I269 Y346 V352 Q369 A370 C371 A376 G377 Y378 F380I269-L373 HydrophobicContact CD1-CD1 3.81Å; Y346-L373 HydrophobicContact CD1-CD1 4.39Å; Y346-L373 HydrophobicContact CE1-CD1 3.7Å; Y346-L373 HydrophobicContact CE2-CD1 4.26Å; V352-L373 HydrophobicContact CB-CD2 4.42Å; V352-L373 HydrophobicContact CG1-CD2 3.72Å; V352-L373 HydrophobicContact CG2-CD2 4.07Å; Q369-L373 HydrophobicContact CG-CD1 4.24Å; Q369-L373 WeakPolarHBondContact O-CB 3.23Å; Q369-L373 VanDerWaalsContact O-CG 3.31Å; Q369-L373 WeakPolarHBondContact O-CG 3.14Å; Q369-L373 PolarHBondContact O-N 2.89Å; A370-L373 PolarHBondContact O-N 2.97Å; C371-L373 PolarHBondContact O-N 2.85Å; L373-A376 PolarHBondContact O-N 3.02Å; L373-G377 PolarHBondContact O-N 3.26Å; L373-Y378 HydrophobicContact CB-CD2 4.46Å; L373-Y378 HydrophobicContact CB-CG 4.44Å; L373-Y378 HydrophobicContact CD2-CD1 3.92Å; L373-Y378 HydrophobicContact CD2-CD2 3.69Å; L373-Y378 HydrophobicContact CD2-CE1 4.18Å; L373-Y378 HydrophobicContact CD2-CE2 3.99Å; L373-Y378 HydrophobicContact CD2-CG 3.66Å; L373-Y378 WeakPolarHBondContact O-CB 3.28Å; L373-Y378 WeakPolarHBondContact O-CD2 3.43Å; L373-Y378 PolarHBondContact O-N 3.14Å; L373-F380 HydrophobicContact CB-CZ 3.96Å
374H98.1Very high97.4Very high32 Ų3214.7 Ų14.715%0.1488%0.076CC..Hα-helixtrans-59.1-51.2176.3174.763.6000111.6W338 A370 C371 E372 A376 G377 F380 R430W338-H374 HydrophobicContact CB-CB 3.71Å; W338-H374 HydrophobicContact CD2-CB 3.82Å; W338-H374 AromaticContact CD2-CD2 3.97Å; W338-H374 AromaticContact CD2-CG 3.85Å; W338-H374 HydrophobicContact CE3-CB 4.22Å; W338-H374 AromaticContact CE3-CD2 3.44Å; W338-H374 VanDerWaalsContact CE3-CD2 3.44Å; W338-H374 AromaticContact CE3-CG 3.79Å; W338-H374 AromaticContact CE3-NE2 3.96Å; W338-H374 HydrophobicContact CG-CB 3.57Å; W338-H374 AromaticContact CG-CG 3.78Å; A370-H374 PolarHBondContact O-N 3.45Å; C371-H374 WeakPolarHBondContact O-CB 3.17Å; C371-H374 PolarHBondContact O-N 3.39Å; E372-H374 VanDerWaalsContact C-N 3.29Å; E372-H374 PolarHBondContact O-N 3.3Å; H374-A376 VanDerWaalsContact C-N 3.29Å; H374-A376 PolarHBondContact O-N 2.9Å; H374-G377 PolarHBondContact O-N 3.15Å; H374-G377 VanDerWaalsContact O-N 3.11Å; H374-F380 HydrophobicContact CB-CE2 4.2Å; H374-F380 HydrophobicContact CB-CZ 4.35Å; H374-R430 WeakPolarHBondContact O-CD 3.37Å; H374-R430 PolarHBondContact O-NH1 2.71Å
375V98.3Very high97.4Very high4 Ų414 Ų142%0.0248%0.075CC..Hα-helixtrans-63.3-36179.8176.40000111.6C371 E372 G377 L421 Y425 S428 C432C371-V375 WeakPolarHBondContact O-CG2 3.42Å; C371-V375 PolarHBondContact O-N 3.16Å; E372-V375 PolarHBondContact O-N 3.02Å; V375-G377 PolarHBondContact O-N 2.83Å; V375-L421 HydrophobicContact CB-CD1 4.37Å; V375-L421 HydrophobicContact CG1-CB 4.33Å; V375-L421 HydrophobicContact CG2-CD1 4.06Å; V375-Y425 HydrophobicContact CG1-CD2 3.79Å; V375-Y425 HydrophobicContact CG1-CG 4.01Å; V375-S428 WeakPolarHBondContact O-CB 3.47Å; V375-S428 PolarHBondContact O-OG 3.42Å; V375-C432 VanDerWaalsContact CG2-SG 3.54Å
376A97.8Very high97.5Very high31 Ų3113.4 Ų13.426%0.2567%0.071SC..THydrogen-bonded Turntrans-740.2177.400000114P353 E372 L373 H374 Y378 Y425P353-A376 HydrophobicContact CG-CB 4.48Å; E372-A376 WeakPolarHBondContact O-CB 3.39Å; E372-A376 PolarHBondContact O-N 3.27Å; L373-A376 PolarHBondContact O-N 3.02Å; H374-A376 VanDerWaalsContact C-N 3.29Å; H374-A376 PolarHBondContact O-N 2.9Å; A376-Y378 HydrophobicContact CB-CD2 3.84Å; A376-Y378 HydrophobicContact CB-CE2 3.88Å; A376-Y425 HydrophobicContact CB-CD1 4.26Å; A376-Y425 HydrophobicContact CB-CE1 3.65Å; A376-Y425 HydrophobicContact CB-CE2 4.44Å
377G97.3Very high97.7Very high22 Ų2213 Ų1323%0.2277%0.07CC..THydrogen-bonded Turntrans97.6-0.5173.100000115.2L373 H374 V375 R430L373-G377 PolarHBondContact O-N 3.26Å; H374-G377 PolarHBondContact O-N 3.15Å; H374-G377 VanDerWaalsContact O-N 3.11Å; V375-G377 PolarHBondContact O-N 2.83Å; G377-R430 VanDerWaalsContact CA-NH1 3.34Å; G377-R430 PolarHBondContact O-NH1 2.73Å; G377-R430 PolarHBondContact O-NH2 3.42Å
378Y98.1Very high97.7Very high21 Ų2112.6 Ų12.68%0.0827%0.068CC..  trans-64.1148.4-174.7-73-103.4000113T266 D267 I269 T351 V352 P353 L373 A376 R430T266-Y378 WeakPolarHBondContact O-CE1 3.39Å; D267-Y378 VanDerWaalsContact C-CD1 3.49Å; D267-Y378 HydrophobicContact CB-CD1 4.38Å; D267-Y378 CarbonylContact O-C 3.35Å; D267-Y378 WeakPolarHBondContact O-CA 3.41Å; D267-Y378 WeakPolarHBondContact O-CB 3.46Å; D267-Y378 WeakPolarHBondContact O-CD1 3.39Å; I269-Y378 HydrophobicContact CG2-CD1 3.89Å; I269-Y378 HydrophobicContact CG2-CE1 4.43Å; T351-Y378 PolarHBondContact O-OH 3.27Å; V352-Y378 WeakPolarHBondContact CA-OH 3.12Å; V352-Y378 HydrophobicContact CG2-CD1 4.31Å; V352-Y378 HydrophobicContact CG2-CE1 3.58Å; P353-Y378 HydrophobicContact CG-CE2 4.44Å; L373-Y378 HydrophobicContact CB-CD2 4.46Å; L373-Y378 HydrophobicContact CB-CG 4.44Å; L373-Y378 HydrophobicContact CD2-CD1 3.92Å; L373-Y378 HydrophobicContact CD2-CD2 3.69Å; L373-Y378 HydrophobicContact CD2-CE1 4.18Å; L373-Y378 HydrophobicContact CD2-CE2 3.99Å; L373-Y378 HydrophobicContact CD2-CG 3.66Å; L373-Y378 WeakPolarHBondContact O-CB 3.28Å; L373-Y378 WeakPolarHBondContact O-CD2 3.43Å; L373-Y378 PolarHBondContact O-N 3.14Å; A376-Y378 HydrophobicContact CB-CD2 3.84Å; A376-Y378 HydrophobicContact CB-CE2 3.88Å; Y378-R430 PolarHBondContact O-NH1 2.69Å
379R97.6Very high97.7Very high104 Ų10412.6 Ų12.639%0.3927%0.068SC..EExtended strand (participates in β ladder)trans-101.7138.6174.1-59.5-177.3-62.1134.511.6109.6D267 E268 I269D267-R379 PolarHBondContact O-N 3.02Å; D267-R379 IonicContact OD1-NE 2.8Å; E268-R379 IonicContact OE2-CZ 2.65Å; E268-R379 IonicContact OE2-NH2 2.95Å; E268-R379 PolarHBondContact OE2-NH2 2.9Å; I269-R379 WeakPolarHBondContact CG1-O 3.27Å; I269-R379 PolarHBondContact N-O 3.36Å
380F98.3Very high97.7Very high4 Ų412.9 Ų12.92%0.0187%0.069CC..EExtended strand (participates in β ladder)trans-105.9108.3-177.2-62.3-103.6000109.9I269 V271 T335 L336 W338 W342 P344 L373 H374I269-F380 HydrophobicContact CD1-CD1 3.36Å; I269-F380 HydrophobicContact CD1-CE1 3.48Å; I269-F380 VanDerWaalsContact CD1-CE1 3.48Å; I269-F380 HydrophobicContact CD1-CG 4.18Å; I269-F380 HydrophobicContact CD1-CZ 4.35Å; I269-F380 HydrophobicContact CG1-CD1 3.97Å; I269-F380 HydrophobicContact CG1-CE1 4.39Å; I269-F380 HydrophobicContact CG1-CG 4.32Å; V271-F380 HydrophobicContact CG2-CB 4.15Å; V271-F380 HydrophobicContact CG2-CD1 4.1Å; T335-F380 CarbonylContact C-O 3.59Å; T335-F380 VanDerWaalsContact CA-O 3.24Å; T335-F380 WeakPolarHBondContact CA-O 3.32Å; L336-F380 HydrophobicContact CB-CB 4.44Å; L336-F380 PolarHBondContact N-O 3.33Å; W338-F380 HydrophobicContact CB-CD2 4.47Å; W338-F380 HydrophobicContact CB-CE2 3.93Å; W338-F380 HydrophobicContact CB-CZ 4.25Å; W338-F380 AromaticContact CD1-CZ 3.94Å; W338-F380 HydrophobicContact CG-CZ 4.42Å; W342-F380 HydrophobicContact CE3-CD1 4.05Å; W342-F380 HydrophobicContact CE3-CE1 4.12Å; W342-F380 HydrophobicContact CH2-CB 3.76Å; W342-F380 AromaticContact CH2-CD1 3.59Å; W342-F380 HydrophobicContact CH2-CD1 3.59Å; W342-F380 HydrophobicContact CH2-CE1 4.43Å; W342-F380 AromaticContact CH2-CG 3.9Å; W342-F380 HydrophobicContact CH2-CG 3.9Å; W342-F380 HydrophobicContact CZ3-CB 3.81Å; W342-F380 AromaticContact CZ3-CD1 3.17Å; W342-F380 HydrophobicContact CZ3-CD1 3.17Å; W342-F380 HydrophobicContact CZ3-CD2 4.21Å; W342-F380 AromaticContact CZ3-CE1 3.68Å; W342-F380 HydrophobicContact CZ3-CE1 3.68Å; W342-F380 AromaticContact CZ3-CG 3.48Å; W342-F380 HydrophobicContact CZ3-CG 3.48Å; W342-F380 VanDerWaalsContact CZ3-CG 3.48Å; W342-F380 HydrophobicContact CZ3-CZ 4.4Å; P344-F380 HydrophobicContact CG-CE1 4.38Å; L373-F380 HydrophobicContact CB-CZ 3.96Å; H374-F380 HydrophobicContact CB-CE2 4.2Å; H374-F380 HydrophobicContact CB-CZ 4.35Å
381S98.1Very high97.4Very high0 Ų015.5 Ų15.50%08%0.08CC..EExtended strand (participates in β ladder)trans-110.7111.6-177.3-70.10000110.6E268 I269 F270 V271E268-S381 VanDerWaalsContact OE1-CB 3.28Å; E268-S381 WeakPolarHBondContact OE1-CB 3.29Å; E268-S381 PolarHBondContact OE1-OG 3.13Å; I269-S381 PolarHBondContact O-N 3.04Å; F270-S381 CarbonylContact C-O 3.47Å; F270-S381 VanDerWaalsContact CA-O 3.26Å; F270-S381 WeakPolarHBondContact CA-O 3.41Å; V271-S381 PolarHBondContact N-O 2.92Å
382V98.1Very high97.2Very high0 Ų016.6 Ų16.60%09%0.091CC..EExtended strand (participates in β ladder)trans-77.4128.2179.8-176.10000110V271 P273 A333 Y334 L336V271-V382 HydrophobicContact CB-CG2 4.12Å; V271-V382 HydrophobicContact CG1-CG2 4.3Å; P273-V382 HydrophobicContact CG-CG1 3.95Å; A333-V382 WeakPolarHBondContact CB-O 3.34Å; A333-V382 PolarHBondContact N-O 3.43Å; Y334-V382 HydrophobicContact CD2-CB 4.07Å; Y334-V382 HydrophobicContact CD2-CG2 3.93Å; Y334-V382 HydrophobicContact CE1-CB 4.38Å; Y334-V382 HydrophobicContact CE1-CG1 4.32Å; Y334-V382 HydrophobicContact CE2-CB 3.76Å; Y334-V382 HydrophobicContact CE2-CG1 4.16Å; Y334-V382 HydrophobicContact CE2-CG2 3.49Å; Y334-V382 VanDerWaalsContact CE2-CG2 3.49Å; Y334-V382 PolarHBondContact O-N 3.49Å; L336-V382 HydrophobicContact CD1-CG2 3.4Å; L336-V382 HydrophobicContact CG-CG2 3.92Å
383L97.4Very high96.9Very high0 Ų017.8 Ų17.80%010%0.096CC..EExtended strand (participates in β ladder)trans-76.1144176.9-68.6175.4000111.7L258 F270 V271 L272 W319 L330 D331 I347 A386L258-L383 HydrophobicContact CD2-CD2 3.68Å; F270-L383 HydrophobicContact CB-CD1 3.95Å; F270-L383 HydrophobicContact CB-CD2 4.22Å; F270-L383 HydrophobicContact CB-CG 3.99Å; F270-L383 HydrophobicContact CD1-CD2 3.65Å; F270-L383 HydrophobicContact CD1-CG 4.32Å; F270-L383 HydrophobicContact CE1-CD2 4.43Å; F270-L383 HydrophobicContact CG-CD2 4.36Å; V271-L383 PolarHBondContact O-N 3.05Å; L272-L383 HydrophobicContact CD1-CD1 3.94Å; L272-L383 HydrophobicContact CG-CD1 4.27Å; W319-L383 PolarHBondContact NE1-O 3.13Å; L330-L383 HydrophobicContact CD1-CB 4.05Å; L330-L383 HydrophobicContact CD1-CD1 4.28Å; L330-L383 HydrophobicContact CD1-CD2 4.29Å; L330-L383 HydrophobicContact CD1-CG 4.45Å; L330-L383 HydrophobicContact CD2-CD1 4.17Å; L330-L383 HydrophobicContact CD2-CD2 4.34Å; L330-L383 HydrophobicContact CG-CD2 4.13Å; D331-L383 WeakPolarHBondContact O-CA 3.21Å; I347-L383 HydrophobicContact CD1-CD1 4.37Å; L383-A386 HydrophobicContact CB-CB 3.92Å; L383-A386 HydrophobicContact CD1-CB 3.69Å; L383-A386 HydrophobicContact CG-CB 4.47Å
384N95.3Very high96.5Very high25 Ų2519.5 Ų19.513%0.13410%0.104CC..SBendtrans-72.6-32.6-172.965.1-18000115.4K287 W319 P329 D331 A333K287-N384 WeakPolarHBondContact CD-O 3.08Å; K287-N384 PolarHBondContact NZ-O 3.41Å; W319-N384 PolarHBondContact NE1-O 3Å; P329-N384 PolarHBondContact O-ND2 3.32Å; D331-N384 PolarHBondContact N-OD1 3.16Å; D331-N384 PolarHBondContact O-N 2.89Å; D331-N384 PolarHBondContact O-OD1 2.97Å; D331-N384 VanDerWaalsContact O-OD1 3.1Å; A333-N384 HydrophobicContact CB-CB 4.01Å
385S95.3Very high96Very high15 Ų1519.7 Ų19.711%0.10511%0.107CC..SBendtrans-131-14.6-173.559.20000114.8L330 F387L330-S385 VanDerWaalsContact CD1-OG 3.31Å; L330-S385 WeakPolarHBondContact CD1-OG 3.44Å; S385-F387 WeakPolarHBondContact O-CD1 3.42Å
386A97.1Very high95.2Very high0 Ų026.2 Ų26.20%014%0.137CC..  trans-79.6142.1176.100000112L251 L272 P273 L330 L383L251-A386 HydrophobicContact CD1-CB 3.5Å; L272-A386 HydrophobicContact CD2-CB 4.02Å; L272-A386 HydrophobicContact CG-CB 4.01Å; P273-A386 WeakPolarHBondContact CD-O 3.45Å; L330-A386 HydrophobicContact CD1-CB 3.67Å; L383-A386 HydrophobicContact CB-CB 3.92Å; L383-A386 HydrophobicContact CD1-CB 3.69Å; L383-A386 HydrophobicContact CG-CB 4.47Å
387F98.3Very high94.2Very high0 Ų028.4 Ų28.40%016%0.163CC..  trans-154.7169.7178.459.5-90000110.5P247 S248 P273 F275 P284 T286 K287 L290 W319 S385 V389P247-F387 CarbonylContact C-O 3.54Å; P247-F387 WeakPolarHBondContact CA-O 3.16Å; S248-F387 VanDerWaalsContact CB-CE1 3.43Å; S248-F387 PolarHBondContact N-O 2.54Å; P273-F387 WeakPolarHBondContact O-CA 3.43Å; P273-F387 WeakPolarHBondContact O-CB 3.3Å; F275-F387 HydrophobicContact CD2-CB 4.22Å; F275-F387 HydrophobicContact CE2-CB 4.13Å; P284-F387 HydrophobicContact CB-CZ 4.45Å; P284-F387 HydrophobicContact CG-CE2 4.24Å; T286-F387 VanDerWaalsContact C-CE1 3.46Å; K287-F387 HydrophobicContact CB-CE1 4.49Å; L290-F387 HydrophobicContact CB-CE1 4.33Å; L290-F387 HydrophobicContact CB-CE2 4.39Å; L290-F387 HydrophobicContact CB-CZ 4.11Å; L290-F387 HydrophobicContact CD1-CD2 4.07Å; L290-F387 HydrophobicContact CD1-CE2 3.94Å; L290-F387 HydrophobicContact CD1-CZ 4.49Å; L290-F387 HydrophobicContact CD2-CB 4.25Å; L290-F387 HydrophobicContact CD2-CD1 3.91Å; L290-F387 HydrophobicContact CD2-CD2 3.89Å; L290-F387 HydrophobicContact CD2-CE1 4.24Å; L290-F387 HydrophobicContact CD2-CE2 4.21Å; L290-F387 HydrophobicContact CD2-CG 3.74Å; L290-F387 HydrophobicContact CD2-CZ 4.37Å; L290-F387 HydrophobicContact CG-CE2 4.42Å; W319-F387 HydrophobicContact CH2-CB 4.02Å; W319-F387 AromaticContact CH2-CD1 3.93Å; W319-F387 HydrophobicContact CH2-CD1 3.93Å; W319-F387 HydrophobicContact CH2-CG 4.28Å; W319-F387 HydrophobicContact CZ2-CB 4.21Å; W319-F387 HydrophobicContact CZ2-CD1 4.36Å; S385-F387 WeakPolarHBondContact O-CD1 3.42Å; F387-V389 HydrophobicContact CD2-CG2 3.46Å; F387-V389 VanDerWaalsContact CD2-CG2 3.46Å; F387-V389 HydrophobicContact CE2-CG2 3.48Å; F387-V389 VanDerWaalsContact CE2-CG2 3.48Å
388V98.6Very high93.4Very high0 Ų033.7 Ų33.70%018%0.182CC..EExtended strand (participates in β ladder)trans-127.3146.8168.7-64.80000110I241 M245 A246 P247 L272 P273 A274 F275 F345I241-V388 HydrophobicContact CG2-CG1 4.08Å; M245-V388 HydrophobicContact CE-CB 3.88Å; M245-V388 HydrophobicContact CE-CG2 3.5Å; A246-V388 CarbonylContact O-C 3.56Å; A246-V388 WeakPolarHBondContact O-CA 3.25Å; P247-V388 HydrophobicContact CB-CG1 4.4Å; L272-V388 HydrophobicContact CB-CG1 4.49Å; L272-V388 HydrophobicContact CD2-CG1 3.97Å; P273-V388 PolarHBondContact O-N 3.46Å; P273-V388 VanDerWaalsContact O-N 3.07Å; A274-V388 WeakPolarHBondContact CA-O 3.3Å; A274-V388 HydrophobicContact CB-CG2 3.71Å; F275-V388 PolarHBondContact N-O 3.36Å; F345-V388 HydrophobicContact CB-CG2 3.94Å; F345-V388 HydrophobicContact CD1-CG2 4.17Å; F345-V388 HydrophobicContact CD2-CG2 4.11Å; F345-V388 HydrophobicContact CG-CG2 3.82Å
389V98.3Very high92.5Very high1 Ų134.9 Ų34.91%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-129.5126.7-178.5-168.70000110.8M245 A246 F275 I277 M283 P284 L290 F387M245-V389 CarbonylContact C-O 3.59Å; M245-V389 WeakPolarHBondContact CA-O 3.26Å; A246-V389 PolarHBondContact N-O 3.11Å; A246-V389 PolarHBondContact O-N 2.84Å; F275-V389 HydrophobicContact CB-CG1 4.5Å; F275-V389 HydrophobicContact CB-CG2 4.44Å; F275-V389 CarbonylContact O-C 3.21Å; F275-V389 WeakPolarHBondContact O-CA 3.39Å; I277-V389 HydrophobicContact CB-CG1 3.96Å; I277-V389 HydrophobicContact CG2-CG1 3.78Å; M283-V389 HydrophobicContact CE-CG1 4.32Å; M283-V389 HydrophobicContact SD-CB 3.86Å; M283-V389 HydrophobicContact SD-CG1 3.82Å; P284-V389 HydrophobicContact CG-CG2 4.08Å; L290-V389 HydrophobicContact CD1-CG2 3.83Å; F387-V389 HydrophobicContact CD2-CG2 3.46Å; F387-V389 VanDerWaalsContact CD2-CG2 3.46Å; F387-V389 HydrophobicContact CE2-CG2 3.48Å; F387-V389 VanDerWaalsContact CE2-CG2 3.48Å
390H96.9Very high91.6Very high6 Ų630.3 Ų30.33%0.02817%0.171CC..EExtended strand (participates in β ladder)trans-81.2137.4169.5-178.1-97.2000111.2D244 M245 F275 E276 I277 F302 G392 K394D244-H390 IonicContact OD1-CD2 3.13Å; D244-H390 IonicContact OD2-CD2 3.79Å; D244-H390 IonicContact OD2-NE2 3.04Å; D244-H390 PolarHBondContact OD2-NE2 3.4Å; M245-H390 HydrophobicContact CE-CB 4.32Å; M245-H390 VanDerWaalsContact SD-CA 3.51Å; M245-H390 HydrophobicContact SD-CB 3.38Å; M245-H390 WeakPolarHBondContact SD-CB 3.11Å; F275-H390 PolarHBondContact O-N 3.3Å; E276-H390 HydrophobicContact CB-CB 4.12Å; I277-H390 VanDerWaalsContact CG2-O 3.28Å; I277-H390 WeakPolarHBondContact CG2-O 3.45Å; I277-H390 PolarHBondContact N-O 2.78Å; I277-H390 VanDerWaalsContact N-O 3.12Å; F302-H390 HydrophobicContact CD2-CB 3.77Å; F302-H390 HydrophobicContact CE2-CB 3.57Å; F302-H390 AromaticContact CE2-CG 3.73Å; H390-G392 PolarHBondContact CE1-O 3.36Å; H390-G392 PolarHBondContact ND1-O 3.01Å; H390-K394 WeakPolarHBondContact CE1-CE 3.45Å; H390-K394 PolarHBondContact CE1-NZ 3.49Å; H390-K394 WeakPolarHBondContact NE2-CE 3.4Å; H390-K394 PolarHBondContact NE2-NZ 3.21Å
391K92.4Very high90.9Very high58 Ų5835.8 Ų35.825%0.25221%0.209SC..EExtended strand (participates in β ladder)trans-79.4116.7174.4-68.7-176.4-170.4175.60111.7S124 D244 V280 M283S124-K391 PolarHBondContact OG-NZ 2.94Å; D244-K391 PolarHBondContact O-N 2.69Å; V280-K391 HydrophobicContact CG1-CD 4.39Å; V280-K391 HydrophobicContact CG1-CG 4.4Å; V280-K391 HydrophobicContact CG2-CB 3.88Å; V280-K391 HydrophobicContact CG2-CD 4.49Å; V280-K391 HydrophobicContact CG2-CG 3.97Å; M283-K391 HydrophobicContact CE-CG 4.47Å
392G92.5Very high90.2Very high22 Ų2239 Ų3923%0.22722%0.221CC..SBendtrans89.7150.1-176.900000111.4I277 H390I277-G392 CarbonylContact O-C 3.43Å; I277-G392 WeakPolarHBondContact O-CA 3.36Å; I277-G392 PolarHBondContact O-N 3.06Å; H390-G392 PolarHBondContact CE1-O 3.36Å; H390-G392 PolarHBondContact ND1-O 3.01Å
393F93.3Very high89.7Confident28 Ų2840.8 Ų40.812%0.12323%0.229CC..  trans-75141.7172.6-76.80.1000110.3E276 I277 R278 R300 V395E276-F393 HydrophobicContact CB-CD1 4.12Å; E276-F393 HydrophobicContact CG-CD1 3.77Å; E276-F393 HydrophobicContact CG-CE1 4.17Å; E276-F393 WeakPolarHBondContact O-CE1 3.34Å; E276-F393 WeakPolarHBondContact OE1-CA 3.34Å; I277-F393 VanDerWaalsContact C-CD1 3.45Å; I277-F393 VanDerWaalsContact C-CE1 3.44Å; R278-F393 HydrophobicContact CB-CD1 4.03Å; R278-F393 HydrophobicContact CB-CD2 4.15Å; R278-F393 HydrophobicContact CB-CE1 3.74Å; R278-F393 HydrophobicContact CB-CE2 3.88Å; R278-F393 HydrophobicContact CB-CG 4.24Å; R278-F393 HydrophobicContact CB-CZ 3.66Å; R278-F393 HydrophobicContact CG-CD2 4.19Å; R278-F393 HydrophobicContact CG-CE2 4.2Å; R278-F393 HydrophobicContact CG-CG 4.48Å; R278-F393 HydrophobicContact CG-CZ 4.48Å; R278-F393 VanDerWaalsContact NE-CE2 3.32Å; R300-F393 HydrophobicContact CB-CZ 4.48Å; R300-F393 HydrophobicContact CG-CD1 4.37Å; R300-F393 HydrophobicContact CG-CE1 3.86Å; R300-F393 HydrophobicContact CG-CE2 4.37Å; R300-F393 HydrophobicContact CG-CZ 3.86Å; F393-V395 HydrophobicContact CB-CG1 4Å
394K89.8Confident89.3Confident37 Ų3745.8 Ų45.816%0.16126%0.256CS..  trans-91.7105.8172.7-64.3-68.2-151.4-156.40107.2D244 E276 R300 F302 Y303 L306 H390D244-K394 IonicContact OD2-NZ 3.56Å; E276-K394 PolarHBondContact OE1-N 3.13Å; E276-K394 PolarHBondContact OE2-N 3.31Å; R300-K394 PolarHBondContact NH2-O 2.81Å; F302-K394 HydrophobicContact CE2-CG 4.15Å; Y303-K394 HydrophobicContact CD1-CB 3.86Å; Y303-K394 HydrophobicContact CD1-CG 4.06Å; Y303-K394 HydrophobicContact CE1-CB 3.96Å; Y303-K394 HydrophobicContact CE1-CG 3.81Å; L306-K394 HydrophobicContact CD1-CB 3.58Å; L306-K394 WeakPolarHBondContact CG-O 3.19Å; H390-K394 WeakPolarHBondContact CE1-CE 3.45Å; H390-K394 PolarHBondContact CE1-NZ 3.49Å; H390-K394 WeakPolarHBondContact NE2-CE 3.4Å; H390-K394 PolarHBondContact NE2-NZ 3.21Å
395V88Confident89Confident35 Ų3549 Ų4921%0.21227%0.27CS..  trans-113.4162-174.5-58.30000111.7F393 E398 F399F393-V395 HydrophobicContact CB-CG1 4Å; V395-E398 HydrophobicContact CG2-CB 4.38Å; V395-E398 HydrophobicContact CG2-CG 3.62Å; V395-E398 WeakPolarHBondContact CG2-OE1 3.45Å; V395-F399 WeakPolarHBondContact O-CE2 3.4Å
396Q81.5Confident88.8Confident142 Ų14248.5 Ų48.566%0.66427%0.266SS*.THydrogen-bonded Turntrans-64.9143.9174.8-63.3-175.49.100110.9E305 L306 E398E305-Q396 PolarHBondContact OE1-N 2.75Å; L306-Q396 HydrophobicContact CD2-CG 3.76Å; Q396-E398 PolarHBondContact O-N 3.21Å
397G76.2Confident88.6Confident77 Ų7750.8 Ų50.879%0.79428%0.278SS*.THydrogen-bonded Turntrans89.1-13.8176.400000116.3F399G397-F399 VanDerWaalsContact C-N 3.31Å
398E80.8Confident88.4Confident132 Ų13258.7 Ų58.762%0.61731%0.308SS*.  trans-85.1-4.6176.2-71.2-174.8171.700113.9Q208 V395 Q396Q208-E398 PolarHBondContact NE2-O 3.43Å; V395-E398 HydrophobicContact CG2-CB 4.38Å; V395-E398 HydrophobicContact CG2-CG 3.62Å; V395-E398 WeakPolarHBondContact CG2-OE1 3.45Å; Q396-E398 PolarHBondContact O-N 3.21Å
399F79.6Confident88.2Confident46 Ų4663.8 Ų63.820%0.20233%0.327CS..SBendtrans-80.1156.3177.8-67.3-85.4000112.1Q208 L306 Y362 V395 G397 K403Q208-F399 PolarHBondContact NE2-O 3.13Å; L306-F399 HydrophobicContact CD1-CE2 3.38Å; L306-F399 HydrophobicContact CD1-CZ 3.29Å; L306-F399 HydrophobicContact CD2-CE2 3.79Å; L306-F399 HydrophobicContact CG-CE2 4.24Å; Y362-F399 HydrophobicContact CD2-CD1 4.07Å; Y362-F399 AromaticContact CD2-CE1 3.9Å; Y362-F399 HydrophobicContact CD2-CE1 3.9Å; Y362-F399 AromaticContact CE2-CD1 3.95Å; Y362-F399 HydrophobicContact CE2-CD1 3.95Å; Y362-F399 AromaticContact CE2-CE1 3.45Å; Y362-F399 HydrophobicContact CE2-CE1 3.45Å; Y362-F399 VanDerWaalsContact CE2-CE1 3.45Å; Y362-F399 HydrophobicContact CE2-CZ 4.02Å; V395-F399 WeakPolarHBondContact O-CE2 3.4Å; G397-F399 VanDerWaalsContact C-N 3.31Å; F399-K403 HydrophobicContact CB-CB 3.9Å; F399-K403 HydrophobicContact CB-CD 3.72Å; F399-K403 HydrophobicContact CB-CG 3.84Å; F399-K403 HydrophobicContact CD1-CD 4.18Å; F399-K403 HydrophobicContact CD1-CG 3.93Å; F399-K403 HydrophobicContact CD2-CD 4.26Å; F399-K403 HydrophobicContact CG-CD 3.77Å; F399-K403 HydrophobicContact CG-CG 3.95Å
400H78.6Confident88.2Confident9 Ų963.7 Ų63.74%0.04233%0.327CS..  trans-66.7153.8172.76890.4000111.3Q208 N209 A211 R402 K403 E406Q208-H400 HydrophobicContact CG-CB 4.4Å; N209-H400 PolarHBondContact O-CD2 3.28Å; A211-H400 HydrophobicContact CB-CB 3.88Å; H400-R402 PolarHBondContact ND1-N 2.67Å; H400-R402 PolarHBondContact O-N 3.27Å; H400-K403 PolarHBondContact CE1-N 3.16Å; H400-K403 VanDerWaalsContact CE1-N 3.33Å; H400-K403 VanDerWaalsContact O-CB 3.25Å; H400-K403 WeakPolarHBondContact O-CB 3.44Å; H400-K403 PolarHBondContact O-N 3.39Å; H400-K403 VanDerWaalsContact O-N 3.08Å; H400-E406 IonicContact CE1-OE1 2.73Å; H400-E406 PolarHBondContact CE1-OE1 2.93Å; H400-E406 IonicContact CE1-OE2 2.71Å; H400-E406 PolarHBondContact CE1-OE2 3.07Å; H400-E406 IonicContact NE2-OE2 3.03Å; H400-E406 PolarHBondContact NE2-OE2 3Å
401S82.6Confident88.1Confident118 Ų11870.3 Ų70.383%0.82535%0.352SS*.THydrogen-bonded Turntrans-57.2-24.9-169.757.20000115.5
402R84.3Confident88.3Confident69 Ų6972.1 Ų72.126%0.2636%0.364SS..THydrogen-bonded Turntrans-91.8-3.6-176.9-58.6-172.666.7-174.24.5114.8G216 H400 D404 E405 E406G216-R402 PolarHBondContact O-NH1 3.44Å; H400-R402 PolarHBondContact ND1-N 2.67Å; H400-R402 PolarHBondContact O-N 3.27Å; R402-D404 VanDerWaalsContact C-N 3.26Å; R402-D404 PolarHBondContact O-N 3.09Å; R402-D404 VanDerWaalsContact O-N 3.15Å; R402-E405 IonicContact CZ-OE2 3.55Å; R402-E405 IonicContact NE-OE2 3.99Å; R402-E405 PolarHBondContact NE-OE2 3.23Å; R402-E405 VanDerWaalsContact NE-OE2 3.13Å; R402-E405 IonicContact NH2-OE1 3.7Å; R402-E405 IonicContact NH2-OE2 2.67Å; R402-E405 PolarHBondContact NH2-OE2 3.19Å; R402-E405 WeakPolarHBondContact O-CB 3Å; R402-E405 PolarHBondContact O-N 3.31Å; R402-E406 WeakPolarHBondContact O-CG 3.33Å; R402-E406 PolarHBondContact O-N 3.43Å
403K87.4Confident88.6Confident36 Ų3673.5 Ų73.516%0.15737%0.365CS..Hα-helixtrans-54.6-38.1-172169.2-109.6168.7-157.50113.1Y362 F399 H400 N407Y362-K403 HydrophobicContact CD1-CD 4.32Å; Y362-K403 HydrophobicContact CD1-CG 3.66Å; Y362-K403 HydrophobicContact CD2-CG 3.8Å; Y362-K403 HydrophobicContact CE1-CD 4.29Å; Y362-K403 HydrophobicContact CE1-CG 4.09Å; Y362-K403 HydrophobicContact CE2-CG 4.19Å; Y362-K403 HydrophobicContact CG-CG 3.5Å; F399-K403 HydrophobicContact CB-CB 3.9Å; F399-K403 HydrophobicContact CB-CD 3.72Å; F399-K403 HydrophobicContact CB-CG 3.84Å; F399-K403 HydrophobicContact CD1-CD 4.18Å; F399-K403 HydrophobicContact CD1-CG 3.93Å; F399-K403 HydrophobicContact CD2-CD 4.26Å; F399-K403 HydrophobicContact CG-CD 3.77Å; F399-K403 HydrophobicContact CG-CG 3.95Å; H400-K403 PolarHBondContact CE1-N 3.16Å; H400-K403 VanDerWaalsContact CE1-N 3.33Å; H400-K403 VanDerWaalsContact O-CB 3.25Å; H400-K403 WeakPolarHBondContact O-CB 3.44Å; H400-K403 PolarHBondContact O-N 3.39Å; H400-K403 VanDerWaalsContact O-N 3.08Å; K403-N407 WeakPolarHBondContact O-CB 3.34Å; K403-N407 PolarHBondContact O-N 3.36Å
404D88.3Confident88.8Confident106 Ų10672.6 Ų72.657%0.56736%0.362SS*.Hα-helixtrans-75.6-33.7179.3-66.1-30.1000113.3R402 N407 R408R402-D404 VanDerWaalsContact C-N 3.26Å; R402-D404 PolarHBondContact O-N 3.09Å; R402-D404 VanDerWaalsContact O-N 3.15Å; D404-N407 PolarHBondContact O-N 3.42Å; D404-R408 WeakPolarHBondContact O-CB 3.42Å; D404-R408 PolarHBondContact O-N 3.24Å
405E89.7Confident89.1Confident91 Ų9177.8 Ų77.843%0.42538%0.38SS..Hα-helixtrans-61.9-46.2172.2-173.8-166.5-175.700110.4R402 R408 R409R402-E405 IonicContact CZ-OE2 3.55Å; R402-E405 IonicContact NE-OE2 3.99Å; R402-E405 PolarHBondContact NE-OE2 3.23Å; R402-E405 VanDerWaalsContact NE-OE2 3.13Å; R402-E405 IonicContact NH2-OE1 3.7Å; R402-E405 IonicContact NH2-OE2 2.67Å; R402-E405 PolarHBondContact NH2-OE2 3.19Å; R402-E405 WeakPolarHBondContact O-CB 3Å; R402-E405 PolarHBondContact O-N 3.31Å; E405-R408 PolarHBondContact O-N 3.4Å; E405-R409 PolarHBondContact O-N 3.45Å
406E91Very high89.5Confident5 Ų580.1 Ų80.12%0.02340%0.398CS..Hα-helixtrans-64.3-44.9177.9-67.5171170.700111.9Q361 H400 R402 R408 R409 N410Q361-E406 HydrophobicContact CB-CB 4.28Å; Q361-E406 HydrophobicContact CB-CG 4.08Å; Q361-E406 WeakPolarHBondContact CB-OE2 3.49Å; Q361-E406 HydrophobicContact CG-CG 4.4Å; Q361-E406 WeakPolarHBondContact CG-OE1 3.19Å; Q361-E406 PolarHBondContact NE2-OE1 3.47Å; H400-E406 IonicContact CE1-OE1 2.73Å; H400-E406 PolarHBondContact CE1-OE1 2.93Å; H400-E406 IonicContact CE1-OE2 2.71Å; H400-E406 PolarHBondContact CE1-OE2 3.07Å; H400-E406 IonicContact NE2-OE2 3.03Å; H400-E406 PolarHBondContact NE2-OE2 3Å; R402-E406 WeakPolarHBondContact O-CG 3.33Å; R402-E406 PolarHBondContact O-N 3.43Å; E406-R408 VanDerWaalsContact C-N 3.29Å; E406-R408 PolarHBondContact O-N 3.03Å; E406-R409 WeakPolarHBondContact O-CB 2.93Å; E406-R409 PolarHBondContact O-N 2.01Å; E406-N410 WeakPolarHBondContact O-CB 3.41Å; E406-N410 PolarHBondContact O-N 2.85Å
407N92.3Very high90.3Very high49 Ų4974.3 Ų74.326%0.26237%0.371SS..Hα-helixtrans-59.3-42.3176-167.539.9000111.3Y362 G363 F364 K403 D404 N410 R411Y362-N407 HydrophobicContact CD1-CB 3.94Å; Y362-N407 HydrophobicContact CE1-CB 4.33Å; G363-N407 WeakPolarHBondContact CA-OD1 3.49Å; F364-N407 WeakPolarHBondContact CE2-OD1 3.47Å; K403-N407 WeakPolarHBondContact O-CB 3.34Å; K403-N407 PolarHBondContact O-N 3.36Å; D404-N407 PolarHBondContact O-N 3.42Å; N407-N410 PolarHBondContact O-N 3.33Å; N407-R411 WeakPolarHBondContact O-CB 3.12Å; N407-R411 PolarHBondContact O-N 3.15Å
408R94.4Very high91.3Very high166 Ų16673.2 Ų73.263%0.62634%0.344SS*.Hα-helixtrans-63.4-44.5176.3-176.9179.665.8-164.8-1.2111.5D404 E405 E406 R411 L412D404-R408 WeakPolarHBondContact O-CB 3.42Å; D404-R408 PolarHBondContact O-N 3.24Å; E405-R408 PolarHBondContact O-N 3.4Å; E406-R408 VanDerWaalsContact C-N 3.29Å; E406-R408 PolarHBondContact O-N 3.03Å; R408-R411 WeakPolarHBondContact O-CB 3.42Å; R408-R411 PolarHBondContact O-N 3.29Å; R408-L412 PolarHBondContact O-N 3.43Å; R408-L412 VanDerWaalsContact O-N 3.16Å
409R95.3Very high92.1Very high106 Ų10671.9 Ų71.940%0.434%0.337SS..Hα-helixtrans-59.4-49.4175.6-177-17469-173.6-3.7110.9R360 E405 E406 R411 L412 L413R360-R409 PolarHBondContact O-NH2 3.47Å; E405-R409 PolarHBondContact O-N 3.45Å; E406-R409 WeakPolarHBondContact O-CB 2.93Å; E406-R409 PolarHBondContact O-N 2.01Å; R409-R411 VanDerWaalsContact C-N 3.29Å; R409-R411 PolarHBondContact O-N 2.92Å; R409-L412 PolarHBondContact O-N 3.36Å; R409-L412 VanDerWaalsContact O-N 3.15Å; R409-L413 PolarHBondContact O-N 2.97Å
410N96.8Very high92.9Very high0 Ų071.5 Ų71.50%035%0.347CS..Hα-helixtrans-67.3-31-178.6-72.2-2.9000111.9F359 R360 Y362 G363 F364 E406 N407 L413 F414F359-N410 HydrophobicContact CD1-CB 4.14Å; R360-N410 PolarHBondContact O-ND2 3.49Å; Y362-N410 PolarHBondContact O-ND2 2.83Å; G363-N410 WeakPolarHBondContact O-CB 3.46Å; G363-N410 PolarHBondContact O-ND2 2.89Å; F364-N410 HydrophobicContact CB-CB 4.14Å; F364-N410 HydrophobicContact CD2-CB 4.28Å; E406-N410 WeakPolarHBondContact O-CB 3.41Å; E406-N410 PolarHBondContact O-N 2.85Å; N407-N410 PolarHBondContact O-N 3.33Å; N410-L413 PolarHBondContact O-N 3.4Å; N410-F414 WeakPolarHBondContact O-CB 3.34Å; N410-F414 PolarHBondContact O-N 3.43Å
411R96.1Very high93.8Very high145 Ų14571.3 Ų71.355%0.54735%0.346SS..Hα-helixtrans-63.1-40.4171.1-171.2174.8-175.2-1761112.8F364 N407 R408 R409 F414 R415F364-R411 HydrophobicContact CD2-CB 4.01Å; F364-R411 HydrophobicContact CE1-CG 4.28Å; F364-R411 HydrophobicContact CE2-CB 3.47Å; F364-R411 VanDerWaalsContact CE2-CB 3.47Å; F364-R411 HydrophobicContact CE2-CG 3.85Å; F364-R411 HydrophobicContact CZ-CB 3.79Å; F364-R411 HydrophobicContact CZ-CG 3.61Å; N407-R411 WeakPolarHBondContact O-CB 3.12Å; N407-R411 PolarHBondContact O-N 3.15Å; R408-R411 WeakPolarHBondContact O-CB 3.42Å; R408-R411 PolarHBondContact O-N 3.29Å; R409-R411 VanDerWaalsContact C-N 3.29Å; R409-R411 PolarHBondContact O-N 2.92Å; R411-F414 PolarHBondContact O-N 2.85Å; R411-R415 PolarHBondContact O-N 3.12Å
412L96.9Very high94.5Very high96 Ų9669.6 Ų69.650%0.50332%0.324SS..Hα-helixtrans-68.2-45.8175.8-68.4174.2000110.8R408 R409 F414 R415 S416R408-L412 PolarHBondContact O-N 3.43Å; R408-L412 VanDerWaalsContact O-N 3.16Å; R409-L412 PolarHBondContact O-N 3.36Å; R409-L412 VanDerWaalsContact O-N 3.15Å; L412-F414 PolarHBondContact O-N 3.15Å; L412-R415 WeakPolarHBondContact O-CB 3.38Å; L412-R415 PolarHBondContact O-N 3.15Å; L412-R415 VanDerWaalsContact O-N 3.09Å; L412-S416 PolarHBondContact O-N 3.03Å
413L97.4Very high95Very high50 Ų5072 Ų7226%0.26235%0.346SS..Hα-helixtrans-56.7-40.4174.1179.563.4000111.6N358 F359 R409 N410 R415 S416 F417N358-L413 HydrophobicContact CB-CD1 4.26Å; N358-L413 HydrophobicContact CB-CD2 3.72Å; N358-L413 WeakPolarHBondContact O-CD2 3.34Å; F359-L413 HydrophobicContact CD1-CD2 3.82Å; F359-L413 HydrophobicContact CD1-CG 4.4Å; F359-L413 HydrophobicContact CD2-CD2 4.01Å; F359-L413 HydrophobicContact CE1-CB 4.21Å; F359-L413 HydrophobicContact CE1-CD2 3.9Å; F359-L413 HydrophobicContact CE1-CG 3.96Å; F359-L413 HydrophobicContact CE2-CD2 4.09Å; F359-L413 HydrophobicContact CE2-CG 4.2Å; F359-L413 HydrophobicContact CG-CD2 3.88Å; F359-L413 HydrophobicContact CZ-CB 4.47Å; F359-L413 HydrophobicContact CZ-CD2 4.04Å; F359-L413 HydrophobicContact CZ-CG 3.85Å; R409-L413 PolarHBondContact O-N 2.97Å; N410-L413 PolarHBondContact O-N 3.4Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 3.36Å; L413-S416 PolarHBondContact O-N 2.87Å; L413-S416 VanDerWaalsContact O-N 3.15Å; L413-F417 WeakPolarHBondContact O-CB 3.37Å; L413-F417 PolarHBondContact O-N 3.06Å
414F97.8Very high95.5Very high10 Ų1076 Ų764%0.04436%0.364CS..Hα-helixtrans-59.4-35.4177.5-173.6-124.7000112.8F359 F364 I367 C371 N410 R411 L412 F417 K418F359-F414 HydrophobicContact CE1-CB 4.02Å; F359-F414 HydrophobicContact CZ-CB 4.19Å; F359-F414 HydrophobicContact CZ-CD2 4.2Å; F364-F414 HydrophobicContact CB-CB 4.31Å; F364-F414 HydrophobicContact CD1-CB 3.81Å; F364-F414 AromaticContact CD1-CD1 3.55Å; F364-F414 HydrophobicContact CD1-CD1 3.55Å; F364-F414 HydrophobicContact CD1-CD2 4.44Å; F364-F414 HydrophobicContact CD1-CE1 4.21Å; F364-F414 AromaticContact CD1-CG 3.69Å; F364-F414 HydrophobicContact CD1-CG 3.69Å; F364-F414 HydrophobicContact CE1-CB 4.5Å; F364-F414 AromaticContact CE1-CD1 3.78Å; F364-F414 HydrophobicContact CE1-CD1 3.78Å; F364-F414 HydrophobicContact CE1-CE1 4.36Å; F364-F414 HydrophobicContact CE1-CG 4.34Å; F364-F414 HydrophobicContact CG-CB 4.2Å; F364-F414 HydrophobicContact CG-CG 4.46Å; I367-F414 HydrophobicContact CG2-CE1 4.43Å; I367-F414 HydrophobicContact CG2-CZ 4.11Å; C371-F414 HydrophobicContact CB-CE2 4.02Å; C371-F414 HydrophobicContact CB-CZ 4.1Å; N410-F414 WeakPolarHBondContact O-CB 3.34Å; N410-F414 PolarHBondContact O-N 3.43Å; R411-F414 PolarHBondContact O-N 2.85Å; L412-F414 PolarHBondContact O-N 3.15Å; F414-F417 AromaticContact CD2-CD1 3.99Å; F414-F417 HydrophobicContact CD2-CD1 3.99Å; F414-F417 HydrophobicContact CE2-CD1 4.07Å; F414-F417 WeakPolarHBondContact O-CB 3.42Å; F414-F417 PolarHBondContact O-N 2.96Å; F414-K418 HydrophobicContact CD2-CG 4.43Å; F414-K418 HydrophobicContact CE1-CD 4.01Å; F414-K418 HydrophobicContact CE1-CG 4.37Å; F414-K418 HydrophobicContact CE2-CD 4.48Å; F414-K418 HydrophobicContact CE2-CG 4.07Å; F414-K418 HydrophobicContact CZ-CD 3.96Å; F414-K418 HydrophobicContact CZ-CG 4.05Å; F414-K418 WeakPolarHBondContact O-CG 3.47Å; F414-K418 PolarHBondContact O-N 3.02Å
415R96.5Very high96Very high146 Ų14673.2 Ų73.255%0.55135%0.346SS*.Hα-helixtrans-62.4-47.5175.1-64.6174.6177.1173-3.2111.5R411 L412 L413 F417 K418 E419R411-R415 PolarHBondContact O-N 3.12Å; L412-R415 WeakPolarHBondContact O-CB 3.38Å; L412-R415 PolarHBondContact O-N 3.15Å; L412-R415 VanDerWaalsContact O-N 3.09Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 3.36Å; R415-F417 VanDerWaalsContact C-N 3.34Å; R415-K418 PolarHBondContact O-N 3.14Å; R415-E419 PolarHBondContact O-N 3.39Å
416S96.9Very high96.3Very high84 Ų8473.6 Ų73.659%0.58736%0.356SS*.Hα-helixtrans-65.6-38.2176.9-590000112.1L412 L413 K418 E419 G420L412-S416 PolarHBondContact O-N 3.03Å; L413-S416 PolarHBondContact O-N 2.87Å; L413-S416 VanDerWaalsContact O-N 3.15Å; S416-K418 VanDerWaalsContact C-N 3.35Å; S416-K418 PolarHBondContact O-N 3.45Å; S416-E419 PolarHBondContact O-N 2.92Å; S416-G420 PolarHBondContact O-N 3.19Å
417F97.9Very high96.6Very high20 Ų2078.9 Ų78.99%0.08839%0.393CS..Hα-helixtrans-57.9-45.6175.7177.9-101.9000111.8D356 F359 S368 E372 L413 F414 R415 E419 G420 L421D356-F417 HydrophobicContact CB-CD2 4.24Å; D356-F417 HydrophobicContact CB-CE2 3.74Å; D356-F417 WeakPolarHBondContact OD2-CD2 3.06Å; D356-F417 WeakPolarHBondContact OD2-CE2 3.04Å; F359-F417 HydrophobicContact CE2-CB 4.14Å; F359-F417 AromaticContact CE2-CD2 3.89Å; F359-F417 HydrophobicContact CE2-CD2 3.89Å; F359-F417 HydrophobicContact CE2-CE2 4.41Å; F359-F417 AromaticContact CE2-CG 3.93Å; F359-F417 HydrophobicContact CE2-CG 3.93Å; F359-F417 HydrophobicContact CZ-CB 3.91Å; F359-F417 HydrophobicContact CZ-CD1 4.48Å; F359-F417 HydrophobicContact CZ-CD2 4.47Å; F359-F417 HydrophobicContact CZ-CG 4.06Å; S368-F417 WeakPolarHBondContact O-CE1 3.33Å; E372-F417 HydrophobicContact CB-CE1 4.33Å; E372-F417 HydrophobicContact CB-CZ 3.95Å; L413-F417 WeakPolarHBondContact O-CB 3.37Å; L413-F417 PolarHBondContact O-N 3.06Å; F414-F417 AromaticContact CD2-CD1 3.99Å; F414-F417 HydrophobicContact CD2-CD1 3.99Å; F414-F417 HydrophobicContact CE2-CD1 4.07Å; F414-F417 WeakPolarHBondContact O-CB 3.42Å; F414-F417 PolarHBondContact O-N 2.96Å; R415-F417 VanDerWaalsContact C-N 3.34Å; F417-E419 VanDerWaalsContact C-N 3.31Å; F417-E419 PolarHBondContact O-N 3.29Å; F417-G420 CarbonylContact O-C 3.59Å; F417-G420 WeakPolarHBondContact O-CA 3.45Å; F417-G420 PolarHBondContact O-N 2.95Å; F417-G420 VanDerWaalsContact O-N 3.07Å; F417-L421 HydrophobicContact CD1-CD1 4.08Å; F417-L421 HydrophobicContact CD1-CG 4.26Å; F417-L421 HydrophobicContact CE1-CD1 3.6Å; F417-L421 HydrophobicContact CE1-CD2 4.16Å; F417-L421 HydrophobicContact CE1-CG 3.93Å; F417-L421 HydrophobicContact CE2-CD2 4.38Å; F417-L421 HydrophobicContact CZ-CD1 4.2Å; F417-L421 HydrophobicContact CZ-CD2 3.9Å; F417-L421 HydrophobicContact CZ-CG 4.16Å; F417-L421 PolarHBondContact O-N 3.38Å
418K97.1Very high96.8Very high54 Ų5477.3 Ų77.324%0.23539%0.386CS..Hα-helixtrans-60.3-37.9177.4-70-160.3-63159.80113.4F414 R415 S416 L421 C432F414-K418 HydrophobicContact CD2-CG 4.43Å; F414-K418 HydrophobicContact CE1-CD 4.01Å; F414-K418 HydrophobicContact CE1-CG 4.37Å; F414-K418 HydrophobicContact CE2-CD 4.48Å; F414-K418 HydrophobicContact CE2-CG 4.07Å; F414-K418 HydrophobicContact CZ-CD 3.96Å; F414-K418 HydrophobicContact CZ-CG 4.05Å; F414-K418 WeakPolarHBondContact O-CG 3.47Å; F414-K418 PolarHBondContact O-N 3.02Å; R415-K418 PolarHBondContact O-N 3.14Å; S416-K418 VanDerWaalsContact C-N 3.35Å; S416-K418 PolarHBondContact O-N 3.45Å; K418-L421 PolarHBondContact O-N 2.98Å; K418-C432 HydrophobicContact CD-CB 3.43Å; K418-C432 VanDerWaalsContact CD-CB 3.43Å; K418-C432 VanDerWaalsContact CD-O 3.27Å; K418-C432 WeakPolarHBondContact CD-O 3.39Å; K418-C432 HydrophobicContact CG-CB 3.93Å; K418-C432 PolarHBondContact NZ-O 3.49Å
419E96.3Very high96.8Very high103 Ų10375 Ų7548%0.48139%0.393SS..Hα-helixtrans-67.1-41.8173.2-63.3-53.7129.800111.3R415 S416 F417 L421 K422R415-E419 PolarHBondContact O-N 3.39Å; S416-E419 PolarHBondContact O-N 2.92Å; F417-E419 VanDerWaalsContact C-N 3.31Å; F417-E419 PolarHBondContact O-N 3.29Å; E419-L421 VanDerWaalsContact C-N 3.26Å; E419-L421 PolarHBondContact O-N 2.03Å; E419-K422 WeakPolarHBondContact O-CB 3.35Å; E419-K422 PolarHBondContact O-N 3.5Å; E419-K422 VanDerWaalsContact O-N 3.09Å; E419-K422 IonicContact OE1-NZ 3.94Å; E419-K422 PolarHBondContact OE1-NZ 3.18Å; E419-K422 WeakPolarHBondContact OE2-CE 3.4Å; E419-K422 IonicContact OE2-NZ 2.68Å; E419-K422 PolarHBondContact OE2-NZ 3.1Å
420G97.1Very high96.9Very high39 Ų3973.9 Ų73.940%0.40239%0.389SS..Hα-helixtrans-58.3-35.9174.200000113.5S416 F417 K422 T423 K424S416-G420 PolarHBondContact O-N 3.19Å; F417-G420 CarbonylContact O-C 3.59Å; F417-G420 WeakPolarHBondContact O-CA 3.45Å; F417-G420 PolarHBondContact O-N 2.95Å; F417-G420 VanDerWaalsContact O-N 3.07Å; G420-K422 VanDerWaalsContact C-N 3.3Å; G420-K422 PolarHBondContact O-N 2.93Å; G420-T423 PolarHBondContact O-N 2.82Å; G420-K424 WeakPolarHBondContact O-CB 3.18Å; G420-K424 PolarHBondContact O-N 3.15Å
421L97.9Very high96.8Very high5 Ų579.1 Ų79.13%0.02641%0.409CS..Hα-helixtrans-63.4-32.5175.8-70.1-177.6000113.1C371 E372 V375 F417 K418 E419 T423 K424 Y425C371-L421 WeakPolarHBondContact SG-CD1 3.48Å; E372-L421 HydrophobicContact CB-CD1 4.32Å; E372-L421 HydrophobicContact CB-CD2 3.96Å; E372-L421 HydrophobicContact CG-CD2 3.8Å; V375-L421 HydrophobicContact CB-CD1 4.37Å; V375-L421 HydrophobicContact CG1-CB 4.33Å; V375-L421 HydrophobicContact CG2-CD1 4.06Å; F417-L421 HydrophobicContact CD1-CD1 4.08Å; F417-L421 HydrophobicContact CD1-CG 4.26Å; F417-L421 HydrophobicContact CE1-CD1 3.6Å; F417-L421 HydrophobicContact CE1-CD2 4.16Å; F417-L421 HydrophobicContact CE1-CG 3.93Å; F417-L421 HydrophobicContact CE2-CD2 4.38Å; F417-L421 HydrophobicContact CZ-CD1 4.2Å; F417-L421 HydrophobicContact CZ-CD2 3.9Å; F417-L421 HydrophobicContact CZ-CG 4.16Å; F417-L421 PolarHBondContact O-N 3.38Å; K418-L421 PolarHBondContact O-N 2.98Å; E419-L421 VanDerWaalsContact C-N 3.26Å; E419-L421 PolarHBondContact O-N 2.03Å; L421-T423 VanDerWaalsContact C-N 3.28Å; L421-T423 PolarHBondContact O-N 3.33Å; L421-K424 PolarHBondContact O-N 3.04Å; L421-Y425 HydrophobicContact CD2-CD2 3.99Å; L421-Y425 HydrophobicContact CD2-CE2 3.72Å; L421-Y425 PolarHBondContact O-N 3.05Å
422K96.6Very high96.4Very high82 Ų8274.1 Ų74.136%0.35740%0.395SS..Hα-helixtrans-63.9-37.8175.9-60.4176.5-169.9165.70111.2E419 G420 Y425 P426E419-K422 WeakPolarHBondContact O-CB 3.35Å; E419-K422 PolarHBondContact O-N 3.5Å; E419-K422 VanDerWaalsContact O-N 3.09Å; E419-K422 IonicContact OE1-NZ 3.94Å; E419-K422 PolarHBondContact OE1-NZ 3.18Å; E419-K422 WeakPolarHBondContact OE2-CE 3.4Å; E419-K422 IonicContact OE2-NZ 2.68Å; E419-K422 PolarHBondContact OE2-NZ 3.1Å; G420-K422 VanDerWaalsContact C-N 3.3Å; G420-K422 PolarHBondContact O-N 2.93Å; K422-Y425 CarbonylContact O-C 3.54Å; K422-P426 WeakPolarHBondContact O-CA 3.27Å
423T96.1Very high96.3Very high119 Ų11973.1 Ų73.173%0.7339%0.39SS*.Hα-helixtrans-75.4-39.4176-53.30000111.9G420 L421 P426G420-T423 PolarHBondContact O-N 2.82Å; L421-T423 VanDerWaalsContact C-N 3.28Å; L421-T423 PolarHBondContact O-N 3.33Å; T423-P426 WeakPolarHBondContact O-CD 3.4Å
424K97.4Very high96.3Very high121 Ų12174.3 Ų74.353%0.52640%0.397SS..Hα-helixtrans-68.8-34.3179.8-171.4174.1179.4-178.30112.5E372 G420 L421E372-K424 VanDerWaalsContact OE1-CE 3.32Å; E372-K424 WeakPolarHBondContact OE1-CE 3.48Å; E372-K424 IonicContact OE1-NZ 3.5Å; E372-K424 PolarHBondContact OE1-NZ 3.04Å; E372-K424 IonicContact OE2-NZ 3.14Å; G420-K424 WeakPolarHBondContact O-CB 3.18Å; G420-K424 PolarHBondContact O-N 3.15Å; L421-K424 PolarHBondContact O-N 3.04Å
425Y97.7Very high96.2Very high46 Ų4677.8 Ų77.818%0.1842%0.416CS..SBendtrans-126.665.7-178.2-56.7-79.6000111.4E372 V375 A376 L421 K422 S427 S428E372-Y425 HydrophobicContact CG-CE2 3.92Å; E372-Y425 WeakPolarHBondContact OE1-CE2 3.44Å; E372-Y425 PolarHBondContact OE1-OH 3.08Å; V375-Y425 HydrophobicContact CG1-CD2 3.79Å; V375-Y425 HydrophobicContact CG1-CG 4.01Å; A376-Y425 HydrophobicContact CB-CD1 4.26Å; A376-Y425 HydrophobicContact CB-CE1 3.65Å; A376-Y425 HydrophobicContact CB-CE2 4.44Å; L421-Y425 HydrophobicContact CD2-CD2 3.99Å; L421-Y425 HydrophobicContact CD2-CE2 3.72Å; L421-Y425 PolarHBondContact O-N 3.05Å; K422-Y425 CarbonylContact O-C 3.54Å; Y425-S427 VanDerWaalsContact C-N 3.28Å; Y425-S427 PolarHBondContact O-N 3.13Å; Y425-S428 WeakPolarHBondContact O-CB 3.49Å; Y425-S428 PolarHBondContact O-N 3.12Å; Y425-S428 VanDerWaalsContact O-N 3.13Å
426P96.7Very high96.2Very high99 Ų9973.8 Ų73.864%0.64341%0.408SS*.THydrogen-bonded Turntrans-66.6-28.9-170.727.4-34.8000113.3K422 T423K422-P426 WeakPolarHBondContact O-CA 3.27Å; T423-P426 WeakPolarHBondContact O-CD 3.4Å
427S97Very high96.1Very high116 Ų11673.2 Ų73.281%0.81140%0.397SS*.THydrogen-bonded Turntrans-85.4-9.4178.655.20000113.9Y425Y425-S427 VanDerWaalsContact C-N 3.28Å; Y425-S427 PolarHBondContact O-N 3.13Å
428S97Very high96Very high16 Ų1676.7 Ų76.711%0.11242%0.418CS..  trans-70.5134.6-179.6-179.50000110.2V375 Y425 R430 R431V375-S428 WeakPolarHBondContact O-CB 3.47Å; V375-S428 PolarHBondContact O-OG 3.42Å; Y425-S428 WeakPolarHBondContact O-CB 3.49Å; Y425-S428 PolarHBondContact O-N 3.12Å; Y425-S428 VanDerWaalsContact O-N 3.13Å; S428-R430 VanDerWaalsContact C-N 3.31Å; S428-R430 PolarHBondContact OG-N 3.26Å; S428-R430 VanDerWaalsContact OG-N 3.16Å; S428-R431 PolarHBondContact O-NH1 3.09Å; S428-R431 PolarHBondContact O-NH2 3.03Å
429P95.4Very high95.9Very high118 Ų11878.4 Ų78.477%0.76643%0.431SS*.  trans-83.3-10170.233.3-34000112.5
430R96.6Very high95.9Very high83 Ų8376.5 Ų76.531%0.31343%0.427SS..  trans-89.3144.1-173.5-67.4177.2-175.1-176.810111.3H374 G377 Y378 S428H374-R430 WeakPolarHBondContact O-CD 3.37Å; H374-R430 PolarHBondContact O-NH1 2.71Å; G377-R430 VanDerWaalsContact CA-NH1 3.34Å; G377-R430 PolarHBondContact O-NH1 2.73Å; G377-R430 PolarHBondContact O-NH2 3.42Å; Y378-R430 PolarHBondContact O-NH1 2.69Å; S428-R430 VanDerWaalsContact C-N 3.31Å; S428-R430 PolarHBondContact OG-N 3.26Å; S428-R430 VanDerWaalsContact OG-N 3.16Å
431R93.4Very high95.8Very high110 Ų11079.6 Ų79.642%0.41543%0.429SS..  trans-137.8151.2-176.3-64.2-68177.8-88.1-2.1111.1S428S428-R431 PolarHBondContact O-NH1 3.09Å; S428-R431 PolarHBondContact O-NH2 3.03Å
432C87.9Confident95.6Very high40 Ų4086.4 Ų86.427%0.2747%0.466SS..  trans-101.10158.9-46.10000108.9W338 C371 V375 K418W338-C432 HydrophobicContact CH2-CB 3.66Å; W338-C432 HydrophobicContact CZ2-CB 4.39Å; W338-C432 HydrophobicContact CZ3-CB 4.22Å; C371-C432 WeakPolarHBondContact CA-SG 3.4Å; C371-C432 HydrophobicContact CB-CB 4.06Å; C371-C432 WeakPolarHBondContact CB-SG 3.3Å; C371-C432 PolarHBondContact O-SG 3.17Å; C371-C432 WeakPolarHBondContact SG-CB 3.34Å; C371-C432 CovalentContact SG-SG 2.01Å; C371-C432 PolarHBondContact SG-SG 3.16Å; V375-C432 VanDerWaalsContact CG2-SG 3.54Å; K418-C432 HydrophobicContact CD-CB 3.43Å; K418-C432 VanDerWaalsContact CD-CB 3.43Å; K418-C432 VanDerWaalsContact CD-O 3.27Å; K418-C432 WeakPolarHBondContact CD-O 3.39Å; K418-C432 HydrophobicContact CG-CB 3.93Å; K418-C432 PolarHBondContact NZ-O 3.49Å

Retrieved 432 of 432 residues in 1428.2 ms (Link to these results)

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