A0A087XHN3_POEFO Loading...

Glucoside xylosyltransferase 1

Glycosyltransferase which elongates the O-linked glucose attached to EGF-like repeats in the extracellular domain of Notch proteins by catalyzing the addition of xylose.

AlphaFold DB , UniProt , Accession A0A087XHN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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
1M53.2Low70.8Confident211 Ų211133.5 Ų133.5100%1.03965%0.654SS**  0-32.70-67.5-170.7-132.500114.3L5M1-L5 PolarHBondContact O-N 3.38Å
2R57.9Low72.1Confident219 Ų219126.5 Ų126.583%0.82663%0.625SS**Hα-helixtrans-66.9-34.2-178.7-74.9179.3173.1173.4-3.3115.8L5 H6R2-L5 PolarHBondContact O-N 3.49Å; R2-H6 PolarHBondContact O-N 3.09Å
3C58.6Low73.3Confident107 Ų107121.6 Ų121.672%0.72361%0.606SS**Hα-helixtrans-69.8-33.1178.4-63.40000113.6L5 A7C3-L5 VanDerWaalsContact C-N 3.33Å; C3-A7 PolarHBondContact O-N 3.31Å
4Y64.6Low74.2Confident192 Ų192122.7 Ų122.775%0.75361%0.606SS**Hα-helixtrans-71.7-29.5177-67.3-74.1000112.3Y8Y4-Y8 VanDerWaalsContact O-CB 3.3Å; Y4-Y8 WeakPolarHBondContact O-CB 3.46Å; Y4-Y8 PolarHBondContact O-N 2.95Å
5L71.7Confident75.1Confident112 Ų112120 Ų12059%0.58660%0.599SS**Hα-helixtrans-69.5-40.1176.7-157.977.2000111.8M1 R2 C3 Y8 L9M1-L5 PolarHBondContact O-N 3.38Å; R2-L5 PolarHBondContact O-N 3.49Å; C3-L5 VanDerWaalsContact C-N 3.33Å; L5-Y8 PolarHBondContact O-N 2.72Å; L5-L9 WeakPolarHBondContact O-CB 3.18Å; L5-L9 PolarHBondContact O-N 2.87Å
6H68.6Low76Confident133 Ų133120.2 Ų120.262%0.61660%0.595SS**Hα-helixtrans-68.2-40.8175.6-85.4-68.9000112.7R2 Y8 L9 L10R2-H6 PolarHBondContact O-N 3.09Å; H6-Y8 VanDerWaalsContact C-N 3.35Å; H6-L9 PolarHBondContact O-N 3.02Å; H6-L10 PolarHBondContact O-N 3.32Å
7A74.9Confident76.4Confident52 Ų52120.6 Ų120.643%0.4359%0.593SS.*Hα-helixtrans-64-41.3174.800000111.5C3 L10 C11C3-A7 PolarHBondContact O-N 3.31Å; A7-L10 PolarHBondContact O-N 3.19Å; A7-C11 WeakPolarHBondContact O-CB 3.28Å; A7-C11 PolarHBondContact O-N 3.08Å; A7-C11 PolarHBondContact O-SG 2.88Å
8Y82.7Confident76.8Confident164 Ų164117.8 Ų117.864%0.64359%0.588SS**Hα-helixtrans-62.3-44.6175.2-178.5-99.3000112.1Y4 L5 H6 C11 T12Y4-Y8 VanDerWaalsContact O-CB 3.3Å; Y4-Y8 WeakPolarHBondContact O-CB 3.46Å; Y4-Y8 PolarHBondContact O-N 2.95Å; L5-Y8 PolarHBondContact O-N 2.72Å; H6-Y8 VanDerWaalsContact C-N 3.35Å; Y8-C11 PolarHBondContact O-N 2.82Å; Y8-T12 HydrophobicContact CD1-CG2 4.26Å; Y8-T12 HydrophobicContact CE1-CG2 3.85Å; Y8-T12 HydrophobicContact CE2-CG2 4.27Å; Y8-T12 WeakPolarHBondContact O-CG2 3.21Å; Y8-T12 PolarHBondContact O-N 2.87Å; Y8-T12 PolarHBondContact O-OG1 2.78Å
9L82.3Confident77.2Confident95 Ų95118 Ų11850%0.49759%0.59SS.*Hα-helixtrans-63.5-40.3177.2-112145.4000112.9L5 H6 T12 V13L5-L9 WeakPolarHBondContact O-CB 3.18Å; L5-L9 PolarHBondContact O-N 2.87Å; H6-L9 PolarHBondContact O-N 3.02Å; L9-T12 WeakPolarHBondContact CA-OG1 3.37Å; L9-T12 PolarHBondContact O-N 2.88Å; L9-T12 PolarHBondContact O-OG1 2.71Å; L9-V13 WeakPolarHBondContact O-CB 3.48Å; L9-V13 WeakPolarHBondContact O-CG2 3.32Å; L9-V13 PolarHBondContact O-N 3.19Å
10L81.8Confident77.3Confident103 Ų103116.3 Ų116.354%0.53958%0.583SS.*Hα-helixtrans-64-45.4174.2-92.7151.6000111H6 A7 T12 V13 F14H6-L10 PolarHBondContact O-N 3.32Å; A7-L10 PolarHBondContact O-N 3.19Å; L10-T12 PolarHBondContact O-N 2.93Å; L10-V13 PolarHBondContact O-N 3.47Å; L10-F14 HydrophobicContact CD2-CD2 4.4Å; L10-F14 HydrophobicContact CD2-CE2 3.92Å; L10-F14 VanDerWaalsContact O-CD2 3.24Å; L10-F14 WeakPolarHBondContact O-CD2 3.27Å; L10-F14 PolarHBondContact O-N 3.23Å
11C82.6Confident77.6Confident80 Ų80118 Ų11854%0.54158%0.583SS.*Hα-helixtrans-62.1-41.2177.6-72.80000112.4A7 Y8 F14 T15A7-C11 WeakPolarHBondContact O-CB 3.28Å; A7-C11 PolarHBondContact O-N 3.08Å; A7-C11 PolarHBondContact O-SG 2.88Å; Y8-C11 PolarHBondContact O-N 2.82Å; C11-F14 PolarHBondContact O-N 3.12Å; C11-T15 WeakPolarHBondContact O-CG2 3.49Å; C11-T15 PolarHBondContact O-N 3.35Å; C11-T15 PolarHBondContact O-OG1 2.99Å
12T86.2Confident79.1Confident50 Ų50111.7 Ų111.731%0.30756%0.557SS.*Hα-helixtrans-68.8-34.5177.951.80000112.7Y8 L9 L10 T15 F16Y8-T12 HydrophobicContact CD1-CG2 4.26Å; Y8-T12 HydrophobicContact CE1-CG2 3.85Å; Y8-T12 HydrophobicContact CE2-CG2 4.27Å; Y8-T12 WeakPolarHBondContact O-CG2 3.21Å; Y8-T12 PolarHBondContact O-N 2.87Å; Y8-T12 PolarHBondContact O-OG1 2.78Å; L9-T12 WeakPolarHBondContact CA-OG1 3.37Å; L9-T12 PolarHBondContact O-N 2.88Å; L9-T12 PolarHBondContact O-OG1 2.71Å; L10-T12 PolarHBondContact O-N 2.93Å; T12-T15 WeakPolarHBondContact CA-OG1 3.4Å; T12-T15 PolarHBondContact O-OG1 2.67Å; T12-F16 VanDerWaalsContact O-CB 3.31Å; T12-F16 WeakPolarHBondContact O-CB 3.41Å; T12-F16 PolarHBondContact O-N 2.88Å
13V87.7Confident80Confident63 Ų63109.5 Ų109.538%0.38255%0.549SS..Hα-helixtrans-67.3-44.3174.21710000110.9L9 L10 F16 F17L9-V13 WeakPolarHBondContact O-CB 3.48Å; L9-V13 WeakPolarHBondContact O-CG2 3.32Å; L9-V13 PolarHBondContact O-N 3.19Å; L10-V13 PolarHBondContact O-N 3.47Å; V13-F16 PolarHBondContact O-N 3.43Å; V13-F17 HydrophobicContact CG1-CD2 3.59Å; V13-F17 HydrophobicContact CG1-CE2 3.42Å; V13-F17 VanDerWaalsContact CG1-CE2 3.42Å; V13-F17 WeakPolarHBondContact O-CD2 3.22Å; V13-F17 PolarHBondContact O-N 3.25Å
14F85.8Confident80.7Confident137 Ų137107.9 Ų107.960%0.60154%0.539SS*.Hα-helixtrans-65.2-39.3177.4-87.3-69.9000113L10 C11 S18L10-F14 HydrophobicContact CD2-CD2 4.4Å; L10-F14 HydrophobicContact CD2-CE2 3.92Å; L10-F14 VanDerWaalsContact O-CD2 3.24Å; L10-F14 WeakPolarHBondContact O-CD2 3.27Å; L10-F14 PolarHBondContact O-N 3.23Å; C11-F14 PolarHBondContact O-N 3.12Å; F14-S18 WeakPolarHBondContact O-CB 3.27Å; F14-S18 PolarHBondContact O-N 2.96Å; F14-S18 PolarHBondContact O-OG 2.94Å
15T87.9Confident81.2Confident82 Ų82102.9 Ų102.950%0.50352%0.523SS..Hα-helixtrans-67.5-39175.4540000111.5C11 T12 S18 L19C11-T15 WeakPolarHBondContact O-CG2 3.49Å; C11-T15 PolarHBondContact O-N 3.35Å; C11-T15 PolarHBondContact O-OG1 2.99Å; T12-T15 WeakPolarHBondContact CA-OG1 3.4Å; T12-T15 PolarHBondContact O-OG1 2.67Å; T15-S18 PolarHBondContact O-N 3.31Å; T15-L19 WeakPolarHBondContact O-CB 3.47Å; T15-L19 VanDerWaalsContact O-CG 3.31Å; T15-L19 WeakPolarHBondContact O-CG 3.48Å; T15-L19 PolarHBondContact O-N 3.17Å
16F89.1Confident80.9Confident123 Ų123102.1 Ų102.154%0.53952%0.519SS..Hα-helixtrans-62.2-45.8175.7-176.2-104.7000112.4T12 V13 S18 L19 L20T12-F16 VanDerWaalsContact O-CB 3.31Å; T12-F16 WeakPolarHBondContact O-CB 3.41Å; T12-F16 PolarHBondContact O-N 2.88Å; V13-F16 PolarHBondContact O-N 3.43Å; F16-S18 PolarHBondContact O-N 3.21Å; F16-L19 PolarHBondContact O-N 2.97Å; F16-L20 HydrophobicContact CD1-CD1 3.79Å; F16-L20 HydrophobicContact CD1-CG 4.49Å; F16-L20 HydrophobicContact CE1-CD1 3.35Å; F16-L20 HydrophobicContact CE1-CG 4.16Å; F16-L20 HydrophobicContact CZ-CD1 3.84Å; F16-L20 HydrophobicContact CZ-CG 4.26Å; F16-L20 WeakPolarHBondContact O-CG 3.22Å; F16-L20 PolarHBondContact O-N 2.86Å
17F82.9Confident80.7Confident128 Ų12897.7 Ų97.756%0.56151%0.506SS*.Hα-helixtrans-67.4-34.5176.5-77.2-62.8000113.1V13 L20 Y21V13-F17 HydrophobicContact CG1-CD2 3.59Å; V13-F17 HydrophobicContact CG1-CE2 3.42Å; V13-F17 VanDerWaalsContact CG1-CE2 3.42Å; V13-F17 WeakPolarHBondContact O-CD2 3.22Å; V13-F17 PolarHBondContact O-N 3.25Å; F17-L20 HydrophobicContact CD1-CD1 4.27Å; F17-L20 PolarHBondContact O-N 2.9Å; F17-Y21 WeakPolarHBondContact O-CB 3.21Å; F17-Y21 PolarHBondContact O-N 3.07Å
18S83.3Confident79.6Confident70 Ų7097.6 Ų97.649%0.4950%0.501SS..Hα-helixtrans-66.3-39.8174.9-57.40000111.5F14 T15 F16 Y21 V22F14-S18 WeakPolarHBondContact O-CB 3.27Å; F14-S18 PolarHBondContact O-N 2.96Å; F14-S18 PolarHBondContact O-OG 2.94Å; T15-S18 PolarHBondContact O-N 3.31Å; F16-S18 PolarHBondContact O-N 3.21Å; S18-Y21 PolarHBondContact O-N 3.13Å; S18-V22 WeakPolarHBondContact O-CG2 3.38Å; S18-V22 PolarHBondContact O-N 2.89Å
19L84.6Confident78.3Confident121 Ų12193.6 Ų93.663%0.63449%0.494SS*.Hα-helixtrans-67.3-41.2175.2-73.2169000112.1T15 F16 Y21 V22 Y23T15-L19 WeakPolarHBondContact O-CB 3.47Å; T15-L19 VanDerWaalsContact O-CG 3.31Å; T15-L19 WeakPolarHBondContact O-CG 3.48Å; T15-L19 PolarHBondContact O-N 3.17Å; F16-L19 PolarHBondContact O-N 2.97Å; L19-Y21 VanDerWaalsContact C-N 3.32Å; L19-Y21 PolarHBondContact O-N 3.11Å; L19-V22 PolarHBondContact O-N 2.9Å; L19-Y23 WeakPolarHBondContact O-CB 3.25Å; L19-Y23 PolarHBondContact O-N 3.24Å
20L79.9Confident76.7Confident84 Ų8494.5 Ų94.544%0.4450%0.499SS..Hα-helixtrans-61.7-40.1173.5-78.2173.4000112.2F16 F17 Y23 S24F16-L20 HydrophobicContact CD1-CD1 3.79Å; F16-L20 HydrophobicContact CD1-CG 4.49Å; F16-L20 HydrophobicContact CE1-CD1 3.35Å; F16-L20 HydrophobicContact CE1-CG 4.16Å; F16-L20 HydrophobicContact CZ-CD1 3.84Å; F16-L20 HydrophobicContact CZ-CG 4.26Å; F16-L20 WeakPolarHBondContact O-CG 3.22Å; F16-L20 PolarHBondContact O-N 2.86Å; F17-L20 HydrophobicContact CD1-CD1 4.27Å; F17-L20 PolarHBondContact O-N 2.9Å; L20-Y23 PolarHBondContact O-N 3.21Å; L20-S24 WeakPolarHBondContact O-CB 3.24Å; L20-S24 PolarHBondContact O-N 2.77Å
21Y84.2Confident75.3Confident151 Ų15197 Ų9759%0.59251%0.508SS*.Hα-helixtrans-64.7-45.8176.6-179.6-98.8000111.8F17 S18 L19 Y23 S24 Q25F17-Y21 WeakPolarHBondContact O-CB 3.21Å; F17-Y21 PolarHBondContact O-N 3.07Å; S18-Y21 PolarHBondContact O-N 3.13Å; L19-Y21 VanDerWaalsContact C-N 3.32Å; L19-Y21 PolarHBondContact O-N 3.11Å; Y21-Y23 VanDerWaalsContact C-N 3.34Å; Y21-Y23 PolarHBondContact O-N 3.46Å; Y21-S24 PolarHBondContact O-N 3.41Å; Y21-Q25 HydrophobicContact CE1-CG 4.13Å; Y21-Q25 WeakPolarHBondContact O-CG 3.25Å; Y21-Q25 PolarHBondContact O-N 3.08Å; Y21-Q25 PolarHBondContact OH-NE2 2.64Å
22V83.4Confident73.6Confident80 Ų8099.7 Ų99.749%0.48552%0.517SS..Hα-helixtrans-64.6-39.6176.7172.60000111.2S18 L19 Q25 L26S18-V22 WeakPolarHBondContact O-CG2 3.38Å; S18-V22 PolarHBondContact O-N 2.89Å; L19-V22 PolarHBondContact O-N 2.9Å; V22-Q25 PolarHBondContact O-N 3.09Å; V22-L26 HydrophobicContact CG1-CD1 3.93Å; V22-L26 PolarHBondContact O-N 2.86Å
23Y77.8Confident71.2Confident172 Ų172107.2 Ų107.268%0.67554%0.54SS*.Hα-helixtrans-64.4-40.7175.3-169.7-95.4000111.9L19 L20 Y21 Q25 L26 A27L19-Y23 WeakPolarHBondContact O-CB 3.25Å; L19-Y23 PolarHBondContact O-N 3.24Å; L20-Y23 PolarHBondContact O-N 3.21Å; Y21-Y23 VanDerWaalsContact C-N 3.34Å; Y21-Y23 PolarHBondContact O-N 3.46Å; Y23-Q25 VanDerWaalsContact C-N 3.31Å; Y23-Q25 PolarHBondContact O-N 3.24Å; Y23-L26 PolarHBondContact O-N 3.36Å; Y23-A27 WeakPolarHBondContact O-CB 3.42Å; Y23-A27 PolarHBondContact O-N 3.47Å
24S73.7Confident68.9Low73 Ų73111.6 Ų111.651%0.5156%0.561SS.*Hα-helixtrans-62.2-36.3174.6179.30000112.7L20 Y21 S28L20-S24 WeakPolarHBondContact O-CB 3.24Å; L20-S24 PolarHBondContact O-N 2.77Å; Y21-S24 PolarHBondContact O-N 3.41Å; S24-S28 PolarHBondContact O-N 3.33Å; S24-S28 PolarHBondContact O-OG 3Å
25Q73.2Confident66.7Low87 Ų87113.7 Ų113.741%0.40757%0.573SS.*Hα-helixtrans-75.3-30.3175.8-67.6-68-3.500112.7Y21 V22 Y23 S28 T29Y21-Q25 HydrophobicContact CE1-CG 4.13Å; Y21-Q25 WeakPolarHBondContact O-CG 3.25Å; Y21-Q25 PolarHBondContact O-N 3.08Å; Y21-Q25 PolarHBondContact OH-NE2 2.64Å; V22-Q25 PolarHBondContact O-N 3.09Å; Y23-Q25 VanDerWaalsContact C-N 3.31Å; Y23-Q25 PolarHBondContact O-N 3.24Å; Q25-S28 WeakPolarHBondContact CA-OG 3.38Å; Q25-S28 PolarHBondContact O-OG 3.25Å; Q25-T29 WeakPolarHBondContact O-CG2 3.25Å; Q25-T29 PolarHBondContact O-N 3.23Å; Q25-T29 PolarHBondContact O-OG1 3.36Å
26L67.3Low64.2Low96 Ų96121.1 Ų121.150%0.50359%0.592SS.*Hα-helixtrans-73.4-37.2173.3-83.3160.7000112V22 Y23 T29 L30V22-L26 HydrophobicContact CG1-CD1 3.93Å; V22-L26 PolarHBondContact O-N 2.86Å; Y23-L26 PolarHBondContact O-N 3.36Å; L26-T29 WeakPolarHBondContact CA-OG1 3.42Å; L26-T29 PolarHBondContact O-N 2.95Å; L26-T29 PolarHBondContact O-OG1 2.91Å; L26-T29 VanDerWaalsContact O-OG1 3.08Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 3.11Å; L26-L30 VanDerWaalsContact O-N 3.13Å
27A63.4Low61.4Low41 Ų41121.2 Ų121.234%0.33961%0.607SS.*Hα-helixtrans-63.4-44.7174.300000111.5Y23 T29 L30 E31Y23-A27 WeakPolarHBondContact O-CB 3.42Å; Y23-A27 PolarHBondContact O-N 3.47Å; A27-T29 VanDerWaalsContact C-N 3.33Å; A27-T29 PolarHBondContact O-N 3.48Å; A27-L30 PolarHBondContact O-N 2.97Å; A27-E31 PolarHBondContact O-N 3.45Å
28S52.7Low58.8Low49 Ų49118.9 Ų118.934%0.34362%0.62SS.*Hα-helixtrans-65.9-32.9177.759.90000113.4S24 Q25 D32S24-S28 PolarHBondContact O-N 3.33Å; S24-S28 PolarHBondContact O-OG 3Å; Q25-S28 WeakPolarHBondContact CA-OG 3.38Å; Q25-S28 PolarHBondContact O-OG 3.25Å; S28-D32 PolarHBondContact O-N 3.03Å
29T55.3Low56.2Low80 Ų80119.8 Ų119.849%0.49164%0.64SS.*Hα-helixtrans-79.4-17.8177.645.20000113.9Q25 L26 A27Q25-T29 WeakPolarHBondContact O-CG2 3.25Å; Q25-T29 PolarHBondContact O-N 3.23Å; Q25-T29 PolarHBondContact O-OG1 3.36Å; L26-T29 WeakPolarHBondContact CA-OG1 3.42Å; L26-T29 PolarHBondContact O-N 2.95Å; L26-T29 PolarHBondContact O-OG1 2.91Å; L26-T29 VanDerWaalsContact O-OG1 3.08Å; A27-T29 VanDerWaalsContact C-N 3.33Å; A27-T29 PolarHBondContact O-N 3.48Å
30L47.4Very low53.5Low115 Ų115117.8 Ų117.860%0.60265%0.649SS**Hα-helixtrans-82.4-34.8172.1-77.3167.2000112L26 A27 D32 R33L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 3.11Å; L26-L30 VanDerWaalsContact O-N 3.13Å; A27-L30 PolarHBondContact O-N 2.97Å; L30-D32 VanDerWaalsContact C-N 3.32Å; L30-D32 PolarHBondContact O-N 3.2Å; L30-R33 PolarHBondContact O-N 3.37Å
31E53.3Low51.1Low154 Ų154125.4 Ų125.472%0.7267%0.672SS**Hα-helixtrans-64.6-34.9172.9-73.7177.2160.800112A27 R33A27-E31 PolarHBondContact O-N 3.45Å; E31-R33 PolarHBondContact O-N 3.08Å
32D45.8Very low48.5Very low138 Ų138126.4 Ų126.474%0.73869%0.685SS**THydrogen-bonded Turntrans-69.5-10.4177.8-115.1-2.8000114.3S28 L30S28-D32 PolarHBondContact O-N 3.03Å; L30-D32 VanDerWaalsContact C-N 3.32Å; L30-D32 PolarHBondContact O-N 3.2Å
33R37.3Very low45.9Very low208 Ų208127.9 Ų127.979%0.78570%0.699SS**THydrogen-bonded Turntrans-97.1-12.1-173.5-130.9178.4178.8-175.6-0.8114.4L30 E31L30-R33 PolarHBondContact O-N 3.37Å; E31-R33 PolarHBondContact O-N 3.08Å
34D37.6Very low43.5Very low154 Ų154123.2 Ų123.282%0.82470%0.703SS**SBendtrans-93.3-4.8-178.6-94.1-16.1000114.6
35E40.4Very low41.3Very low181 Ų181131.9 Ų131.985%0.84673%0.725SS**SBendtrans-100.716.3178.6-75.5-162.714800115.6
36R35.1Very low39.1Very low239 Ų239132.4 Ų132.490%0.90274%0.738SS**  trans-115.176172.8-92.5-177.3173.1174.51113
37S30.4Very low37.4Very low124 Ų124133.3 Ų133.387%0.86775%0.753SS**  trans-158.8101161.6162.40000111.1
38G29.2Very low35.9Very low80 Ų80139.6 Ų139.683%0.82577%0.774SS**  trans167.764.9171.400000114.5
39G28.3Very low34.8Very low88 Ų88145.1 Ų145.191%0.90780%0.8SS**  trans-82.6141.817300000112.9
40G27.6Very low33.5Very low80 Ų80146 Ų14683%0.82582%0.815SS**  trans-164.8100.1168.400000111.9
41R28.8Very low32.6Very low244 Ų244144.5 Ų144.592%0.92183%0.828SS**  trans-69150.7172.2-73.8172.5167.4171.6-4.2111
42I30Very low31.5Very low172 Ų172146.2 Ų146.288%0.88284%0.836SS**  -157.4139.4127.1-91.1146.1000109.4
43S29.7Very low30.6Very low110 Ų110143 Ų14377%0.76983%0.829SS**  trans-85.1140.8-175.5540000114.2
44G26.6Very low30.3Very low74 Ų74141.6 Ų141.676%0.76384%0.835SS**  73.5116.4119.700000120
45R28.2Very low29.8Very low255 Ų255139.5 Ų139.596%0.96283%0.833SS**  trans-156.2133.9130.8-123.3172177171.3-2112
46S27.6Very low29.5Very low99 Ų99139.9 Ų139.969%0.69284%0.835SS**  trans-84.8148.8177.2158.50000110.8
47S30Very low29.4Very low115 Ų115137.5 Ų137.580%0.80483%0.831SS**  trans-161.8121.8136.553.20000110.7
48H31.8Very low29.6Very low172 Ų172139.9 Ų139.980%0.79683%0.833SS**  trans-58.6147.7162.2-68.4-93.8000111.3
49D29.9Very low29.7Very low165 Ų165141.4 Ų141.488%0.88283%0.831SS**  -164.5143.1110.9-124.6-19000113.1
50A29.3Very low30Very low98 Ų98142 Ų14281%0.8182%0.821SS**  trans-101.5139.4174.600000109.1
51G27.2Very low30.4Very low84 Ų84142.5 Ų142.587%0.86682%0.818SS**  trans-163.2105.8176.400000111.7
52H30.4Very low30.7Very low190 Ų190137 Ų13788%0.8881%0.811SS**  trans-83.4148.8-170.4-148.2-93000112.2
53A27.9Very low31.1Very low72 Ų72138.2 Ų138.260%0.59581%0.81SS**  trans54.8117.3151.300000120.6
54L30.3Very low31.5Very low177 Ų177141 Ų14193%0.92781%0.811SS**  170.7114.8111.1-111.3106.4000108.5
55S27.8Very low32.1Very low111 Ų111143.4 Ų143.478%0.77681%0.813SS**  trans-177.377.8140.4-171.60000109.7K57S55-K57 PolarHBondContact O-N 2.65Å
56E33.6Very low33.4Very low189 Ų189140.9 Ų140.988%0.88381%0.809SS**  trans-65.2108.5148.5-86.1-171.4149.700108.1
57K32.7Very low35Very low189 Ų189141.3 Ų141.382%0.82280%0.804SS**  157.7140.5128.5-91170.8176.1174.10110.7S55S55-K57 PolarHBondContact O-N 2.65Å
58L35.2Very low37.2Very low173 Ų173140.4 Ų140.491%0.90679%0.79SS**  trans8871.7160.2-139.377.6000116.4
59S31.6Very low40.1Very low113 Ų113135.8 Ų135.879%0.7977%0.765SS**  trans-120.395.4140.866.20000108.4A61S59-A61 PolarHBondContact O-N 3.47Å; S59-A61 VanDerWaalsContact O-N 3.08Å
60S34Very low43.3Very low99 Ų99128 Ų12869%0.69272%0.724SS**  trans-42.7115.7152.8174.60000107.5T62S60-T62 PolarHBondContact O-N 2.79Å
61A37.1Very low46.6Very low91 Ų91125.1 Ų125.175%0.75269%0.694SS**  trans-68.685.1174.100000107.6S59 K63S59-A61 PolarHBondContact O-N 3.47Å; S59-A61 VanDerWaalsContact O-N 3.08Å; A61-K63 PolarHBondContact O-N 3.25Å
62T34.7Very low50Low128 Ų128121.2 Ų121.279%0.78565%0.653SS**  trans-52.399.2145.215.70000105.3S60 E64S60-T62 PolarHBondContact O-N 2.79Å; T62-E64 VanDerWaalsContact C-N 3.3Å; T62-E64 PolarHBondContact O-N 3.01Å
63K37.2Very low53.3Low199 Ų199112.1 Ų112.187%0.86561%0.611SS**  trans-53.6105.1163.5-90.1178.6173.7174.40105.1A61A61-K63 PolarHBondContact O-N 3.25Å
64E37.6Very low56.7Low169 Ų169108.8 Ų108.879%0.7958%0.583SS**  trans-48.4139.2160.9-76.7-164.7154.400107.3T62 K66T62-E64 VanDerWaalsContact C-N 3.3Å; T62-E64 PolarHBondContact O-N 3.01Å; E64-K66 PolarHBondContact O-N 3.26Å
65P40.7Very low59.9Low123 Ų123100.9 Ų100.980%0.79954%0.542SS*.  trans-55.1117175.223.2-29.9000106.5N67P65-N67 PolarHBondContact O-N 3.39Å
66K55.6Low63.3Low202 Ų20295.6 Ų95.688%0.87851%0.505SS*.  trans-48.3113.4173.1-98.2-175.1171.6-173.60106.1E64 D68E64-K66 PolarHBondContact O-N 3.26Å; K66-D68 PolarHBondContact O-N 3.46Å
67N60.5Low66.3Low109 Ų10987.2 Ų87.258%0.58347%0.467SS*.  trans-56.5107.8178.4-172.810.3000106.9P65 R69P65-N67 PolarHBondContact O-N 3.39Å; N67-R69 PolarHBondContact O-N 2.82Å; N67-R69 WeakPolarHBondContact OD1-CB 3.28Å
68D77.3Confident69.2Low96 Ų9680 Ų8051%0.51345%0.446SS..  trans-76.325.1-173-161.617.5000111.9K66 K97K66-D68 PolarHBondContact O-N 3.46Å; D68-K97 IonicContact OD1-NZ 3.44Å; D68-K97 PolarHBondContact OD1-NZ 3.38Å; D68-K97 WeakPolarHBondContact OD2-CD 3.45Å; D68-K97 WeakPolarHBondContact OD2-CE 3.26Å; D68-K97 IonicContact OD2-NZ 3.23Å; D68-K97 PolarHBondContact OD2-NZ 2.82Å
69R92.7Very high72.1Confident74 Ų7477 Ų7728%0.27945%0.446SS..PPolyproline II helixtrans-94.1131.9-174.9-173.8-176.6-60.9-168.8-7.9109.8N67 P98 H100 T129N67-R69 PolarHBondContact O-N 2.82Å; N67-R69 WeakPolarHBondContact OD1-CB 3.28Å; R69-P98 WeakPolarHBondContact CA-O 3.33Å; R69-P98 HydrophobicContact CG-CB 4.36Å; R69-P98 VanDerWaalsContact CG-O 3.25Å; R69-P98 WeakPolarHBondContact CG-O 3.4Å; R69-H100 HydrophobicContact CG-CB 4.44Å; R69-T129 PolarHBondContact NH1-OG1 2.77Å
70S96.6Very high75.2Confident1 Ų175.4 Ų75.41%0.00742%0.423CS..EExtended strand (participates in β ladder)trans-77.2136.5170.6-57.70000110.2P98 V99 H100S70-P98 PolarHBondContact N-O 2.66Å; S70-V99 CarbonylContact O-C 3.6Å; S70-V99 WeakPolarHBondContact O-CA 3.37Å; S70-H100 PolarHBondContact O-N 2.76Å
71H98.5Very high78.2Confident38 Ų3873.1 Ų73.118%0.17640%0.403CS..EExtended strand (participates in β ladder)trans-103.9116.2171.5-70-106.2000109.3H102 V166 L169 L170 W186H71-H102 AromaticContact CG-NE2 3.88Å; H71-H102 AromaticContact ND1-CD2 3.93Å; H71-H102 AromaticContact ND1-CE1 4Å; H71-H102 AromaticContact ND1-NE2 2.99Å; H71-H102 PolarHBondContact ND1-NE2 2.98Å; H71-V166 HydrophobicContact CB-CG1 4.27Å; H71-L169 HydrophobicContact CB-CD1 3.86Å; H71-L170 PolarHBondContact O-N 3.45Å; H71-W186 HydrophobicContact CB-CH2 3.8Å; H71-W186 HydrophobicContact CB-CZ3 4.14Å; H71-W186 VanDerWaalsContact N-CZ3 3.3Å; H71-W186 VanDerWaalsContact O-CZ3 3.24Å; H71-W186 WeakPolarHBondContact O-CZ3 3.43Å
72L98.8Very high81.1Confident2 Ų273.8 Ų73.81%0.0139%0.39CS..EExtended strand (participates in β ladder)trans-111.9127-179.7-17974.5000109.2M87 L88 A91 V99 H100 F101 H102 L170 V172 F178L72-M87 HydrophobicContact CD2-SD 4.12Å; L72-L88 HydrophobicContact CD2-CD2 4.29Å; L72-A91 HydrophobicContact CD2-CB 3.85Å; L72-V99 HydrophobicContact CB-CG1 3.85Å; L72-H100 PolarHBondContact N-O 3.02Å; L72-F101 HydrophobicContact CB-CD1 4.1Å; L72-F101 HydrophobicContact CB-CE1 4.48Å; L72-F101 HydrophobicContact CD2-CD1 3.92Å; L72-F101 HydrophobicContact CD2-CE1 3.72Å; L72-F101 HydrophobicContact CG-CD1 4.49Å; L72-F101 CarbonylContact O-C 3.55Å; L72-F101 WeakPolarHBondContact O-CA 3.26Å; L72-H102 PolarHBondContact O-N 2.88Å; L72-L170 CarbonylContact C-O 3.6Å; L72-L170 VanDerWaalsContact CA-O 3.31Å; L72-L170 WeakPolarHBondContact CA-O 3.42Å; L72-L170 HydrophobicContact CD1-CB 4.17Å; L72-L170 HydrophobicContact CD1-CD2 3.68Å; L72-L170 HydrophobicContact CD1-CG 3.77Å; L72-V172 HydrophobicContact CD1-CB 4.48Å; L72-V172 HydrophobicContact CD1-CG1 4Å; L72-V172 HydrophobicContact CD1-CG2 3.69Å; L72-V172 HydrophobicContact CG-CG2 4.24Å; L72-F178 HydrophobicContact CD1-CE2 4.37Å; L72-F178 HydrophobicContact CD1-CZ 3.9Å; L72-F178 HydrophobicContact CD2-CE2 4.28Å
73A98.9Very high84.2Confident0 Ų068 Ų680%036%0.355CS..EExtended strand (participates in β ladder)trans-113.8144.6175.400000111.9H102 L159 L169 L170 Y171 V172A73-H102 VanDerWaalsContact CA-O 3.28Å; A73-H102 WeakPolarHBondContact CA-O 3.27Å; A73-H102 HydrophobicContact CB-CB 4.06Å; A73-L159 HydrophobicContact CB-CD1 4.13Å; A73-L169 HydrophobicContact CB-CD1 3.7Å; A73-L169 HydrophobicContact CB-CD2 3.67Å; A73-L169 HydrophobicContact CB-CG 3.85Å; A73-L170 PolarHBondContact N-O 2.91Å; A73-Y171 HydrophobicContact CB-CD2 4.48Å; A73-Y171 WeakPolarHBondContact O-CA 3.36Å; A73-V172 PolarHBondContact O-N 2.97Å
74V98.8Very high87.1Confident1 Ų158.6 Ų58.61%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-142.3149.8174.561.40000109.7T84 M87 L88 H102 I103 F104 T174V74-T84 HydrophobicContact CG1-CG2 3.86Å; V74-T84 HydrophobicContact CG2-CG2 3.94Å; V74-M87 HydrophobicContact CB-CE 3.54Å; V74-M87 HydrophobicContact CG1-CE 3.8Å; V74-M87 HydrophobicContact CG2-CE 3.53Å; V74-L88 HydrophobicContact CG1-CD2 4.46Å; V74-H102 PolarHBondContact N-O 2.91Å; V74-H102 VanDerWaalsContact N-O 3.08Å; V74-I103 HydrophobicContact CG1-CB 4.46Å; V74-I103 HydrophobicContact CG1-CG1 4.17Å; V74-I103 HydrophobicContact CG1-CG2 4.33Å; V74-F104 PolarHBondContact O-N 3.09Å; V74-T174 HydrophobicContact CG2-CG2 3.74Å
75V98.6Very high90Very high11 Ų1151.9 Ų51.97%0.06728%0.283CS..EExtended strand (participates in β ladder)trans-119.1124.3174.91800000109.6F104 I135 C152 Q155 Y171 T174V75-F104 CarbonylContact C-O 3.54Å; V75-F104 VanDerWaalsContact CA-O 3.26Å; V75-F104 WeakPolarHBondContact CA-O 3.17Å; V75-F104 HydrophobicContact CB-CB 4.47Å; V75-F104 HydrophobicContact CG1-CB 4.47Å; V75-F104 HydrophobicContact CG2-CB 3.94Å; V75-I135 HydrophobicContact CG1-CD1 3.87Å; V75-C152 HydrophobicContact CG1-CB 3.7Å; V75-C152 WeakPolarHBondContact CG1-O 3.27Å; V75-Q155 HydrophobicContact CB-CB 4.4Å; V75-Q155 HydrophobicContact CG1-CB 3.87Å; V75-Q155 HydrophobicContact CG1-CG 4.22Å; V75-Q155 HydrophobicContact CG2-CB 3.69Å; V75-Q155 HydrophobicContact CG2-CG 3.68Å; V75-Y171 HydrophobicContact CB-CE2 4.49Å; V75-Y171 HydrophobicContact CG2-CE2 3.86Å; V75-T174 WeakPolarHBondContact O-CG2 3.28Å
76A98.1Very high92.8Very high0 Ų046.3 Ų46.30%025%0.247CC..EExtended strand (participates in β ladder)trans-125.7121.7-177.500000111.5R80 T84 F104 A105 E106 L109 F113 T174A76-R80 HydrophobicContact CB-CB 4.28Å; A76-T84 HydrophobicContact CB-CG2 4.5Å; A76-F104 PolarHBondContact N-O 3.33Å; A76-A105 HydrophobicContact CB-CB 4.43Å; A76-A105 VanDerWaalsContact O-CA 3.25Å; A76-A105 WeakPolarHBondContact O-CA 3.46Å; A76-E106 PolarHBondContact O-N 3.38Å; A76-L109 HydrophobicContact CB-CD1 4.3Å; A76-F113 HydrophobicContact CB-CE2 4.04Å; A76-F113 HydrophobicContact CB-CZ 3.85Å; A76-T174 HydrophobicContact CB-CG2 4.26Å
77C96.6Very high94.8Very high13 Ų1336.7 Ų36.79%0.08821%0.205CC..  trans-134147.9174.5-72.30000110.9R80 E106 P151 C152C77-R80 WeakPolarHBondContact O-CG 3.39Å; C77-E106 WeakPolarHBondContact CA-OE2 3.32Å; C77-E106 HydrophobicContact CB-CG 4.21Å; C77-E106 WeakPolarHBondContact CB-OE2 3.11Å; C77-E106 VanDerWaalsContact SG-CG 3.59Å; C77-P151 HydrophobicContact CB-CB 3.94Å; C77-C152 HydrophobicContact CB-CB 3.89Å; C77-C152 WeakPolarHBondContact CB-SG 3.48Å; C77-C152 WeakPolarHBondContact SG-CB 3.38Å; C77-C152 CovalentContact SG-SG 2.02Å; C77-C152 PolarHBondContact SG-SG 3.44Å
78G95.1Very high96.7Very high37 Ų3731.6 Ų31.638%0.38118%0.178SC..SBendtrans62.3-147.3-172.100000113.3R80 E106G78-R80 PolarHBondContact O-N 3.21Å; G78-E106 PolarHBondContact N-OE2 2.68Å
79A94.8Very high97.7Very high110 Ų11028.1 Ų28.191%0.90916%0.158SC*.SBendtrans-75.963.3-175.500000113.1
80R96.6Very high98Very high80 Ų8024.6 Ų24.630%0.30215%0.145SC..  trans-121.35.8-176-65.6-66.7-176.1160.34.3114.5A76 C77 G78 E83 T84 T174A76-R80 HydrophobicContact CB-CB 4.28Å; C77-R80 WeakPolarHBondContact O-CG 3.39Å; G78-R80 PolarHBondContact O-N 3.21Å; R80-E83 VanDerWaalsContact CD-OE1 3.32Å; R80-E83 WeakPolarHBondContact CD-OE1 3.35Å; R80-E83 IonicContact CZ-OE1 3.88Å; R80-E83 IonicContact NE-OE1 3.94Å; R80-E83 IonicContact NH1-OE1 2.84Å; R80-E83 PolarHBondContact NH1-OE1 3.08Å; R80-E83 IonicContact NH1-OE2 3.1Å; R80-E83 PolarHBondContact NH1-OE2 3.25Å; R80-T84 VanDerWaalsContact O-CB 3.25Å; R80-T84 WeakPolarHBondContact O-CB 3.25Å; R80-T84 PolarHBondContact O-N 3.12Å; R80-T84 PolarHBondContact O-OG1 3.12Å; R80-T174 HydrophobicContact CB-CG2 4.5Å
81L98.1Very high98Very high51 Ų5124.6 Ų24.627%0.26715%0.145SC..Hα-helixtrans-55.8-57.4-179.2-179.261.5000112.4E83 T84 L85 L109 F113L81-E83 PolarHBondContact O-N 2.61Å; L81-T84 PolarHBondContact O-N 2.7Å; L81-L85 HydrophobicContact CD1-CD1 3.98Å; L81-L85 HydrophobicContact CD1-CG 4.32Å; L81-L85 HydrophobicContact CG-CD1 3.97Å; L81-L85 WeakPolarHBondContact O-CB 3.14Å; L81-L85 VanDerWaalsContact O-CG 3.31Å; L81-L85 WeakPolarHBondContact O-CG 3.29Å; L81-L85 PolarHBondContact O-N 3.35Å; L81-L109 HydrophobicContact CB-CD2 4.24Å; L81-F113 HydrophobicContact CD1-CB 4.42Å; L81-F113 HydrophobicContact CD1-CD1 3.53Å; L81-F113 HydrophobicContact CD1-CD2 3.93Å; L81-F113 HydrophobicContact CD1-CE1 3.59Å; L81-F113 HydrophobicContact CD1-CE2 3.99Å; L81-F113 HydrophobicContact CD1-CG 3.69Å; L81-F113 HydrophobicContact CD1-CZ 3.82Å
82E98.4Very high97.9Very high105 Ų10523.3 Ų23.349%0.49114%0.139SC..Hα-helixtrans-65.9-41.4-175.2-171.7-175.7-133.900112.5T84 L85 T86 K342E82-T84 VanDerWaalsContact C-N 3.35Å; E82-L85 PolarHBondContact O-N 2.57Å; E82-T86 WeakPolarHBondContact O-CB 3.38Å; E82-T86 PolarHBondContact O-N 2.94Å; E82-T86 PolarHBondContact O-OG1 3.06Å; E82-K342 WeakPolarHBondContact OE1-CE 3.31Å; E82-K342 IonicContact OE1-NZ 3.94Å; E82-K342 PolarHBondContact OE1-NZ 3.31Å; E82-K342 IonicContact OE2-NZ 3.09Å; E82-K342 PolarHBondContact OE2-NZ 3.05Å
83E98.4Very high97.8Very high8 Ų823.8 Ų23.84%0.03714%0.142CC..Hα-helixtrans-61.9-45.8177.2-168.3-172.764.900110.7R80 L81 L85 T86 M87 T174 H327 Y338R80-E83 VanDerWaalsContact CD-OE1 3.32Å; R80-E83 WeakPolarHBondContact CD-OE1 3.35Å; R80-E83 IonicContact CZ-OE1 3.88Å; R80-E83 IonicContact NE-OE1 3.94Å; R80-E83 IonicContact NH1-OE1 2.84Å; R80-E83 PolarHBondContact NH1-OE1 3.08Å; R80-E83 IonicContact NH1-OE2 3.1Å; R80-E83 PolarHBondContact NH1-OE2 3.25Å; L81-E83 PolarHBondContact O-N 2.61Å; E83-L85 PolarHBondContact O-N 3.34Å; E83-T86 WeakPolarHBondContact O-CB 3.24Å; E83-T86 PolarHBondContact O-N 3.2Å; E83-M87 PolarHBondContact O-N 3.29Å; E83-T174 WeakPolarHBondContact CG-O 3.49Å; E83-T174 VanDerWaalsContact OE1-CB 3.29Å; E83-T174 WeakPolarHBondContact OE1-CB 3.31Å; E83-T174 PolarHBondContact OE1-OG1 3.49Å; E83-H327 IonicContact OE2-CD2 2.73Å; E83-H327 PolarHBondContact OE2-CD2 3.12Å; E83-H327 IonicContact OE2-CE1 2.65Å; E83-H327 IonicContact OE2-NE2 3.14Å; E83-H327 PolarHBondContact OE2-NE2 2.88Å; E83-Y338 WeakPolarHBondContact CA-OH 3.47Å; E83-Y338 HydrophobicContact CG-CE2 4.07Å
84T98.7Very high97.5Very high0 Ų023.9 Ų23.90%014%0.142CC..Hα-helixtrans-64.5-41.7177.4-54.50000111.6V74 A76 R80 L81 E82 T86 M87 L88 F113 T174V74-T84 HydrophobicContact CG1-CG2 3.86Å; V74-T84 HydrophobicContact CG2-CG2 3.94Å; A76-T84 HydrophobicContact CB-CG2 4.5Å; R80-T84 VanDerWaalsContact O-CB 3.25Å; R80-T84 WeakPolarHBondContact O-CB 3.25Å; R80-T84 PolarHBondContact O-N 3.12Å; R80-T84 PolarHBondContact O-OG1 3.12Å; L81-T84 PolarHBondContact O-N 2.7Å; E82-T84 VanDerWaalsContact C-N 3.35Å; T84-T86 VanDerWaalsContact C-N 3.28Å; T84-T86 PolarHBondContact O-N 3.12Å; T84-M87 HydrophobicContact CG2-CE 4.22Å; T84-M87 WeakPolarHBondContact O-CB 3.14Å; T84-M87 PolarHBondContact O-N 3.36Å; T84-L88 HydrophobicContact CG2-CD1 4.33Å; T84-L88 HydrophobicContact CG2-CG 4.42Å; T84-L88 VanDerWaalsContact O-CG 3.32Å; T84-L88 WeakPolarHBondContact O-CG 3.18Å; T84-L88 PolarHBondContact O-N 2.85Å; T84-F113 HydrophobicContact CG2-CE1 3.52Å; T84-F113 HydrophobicContact CG2-CZ 3.63Å; T84-T174 VanDerWaalsContact OG1-CG2 3.24Å; T84-T174 WeakPolarHBondContact OG1-CG2 3.35Å
85L98.8Very high97.2Very high28 Ų2824.5 Ų24.515%0.14715%0.147CC..Hα-helixtrans-62.3-36.9175.3-74168.8000111.9L81 E82 E83 L88 K89 F113 A116 L117L81-L85 HydrophobicContact CD1-CD1 3.98Å; L81-L85 HydrophobicContact CD1-CG 4.32Å; L81-L85 HydrophobicContact CG-CD1 3.97Å; L81-L85 WeakPolarHBondContact O-CB 3.14Å; L81-L85 VanDerWaalsContact O-CG 3.31Å; L81-L85 WeakPolarHBondContact O-CG 3.29Å; L81-L85 PolarHBondContact O-N 3.35Å; E82-L85 PolarHBondContact O-N 2.57Å; E83-L85 PolarHBondContact O-N 3.34Å; L85-L88 PolarHBondContact O-N 3.31Å; L85-K89 VanDerWaalsContact O-CB 3.23Å; L85-K89 WeakPolarHBondContact O-CB 3.34Å; L85-K89 PolarHBondContact O-N 3.23Å; L85-F113 HydrophobicContact CD2-CD1 3.97Å; L85-F113 HydrophobicContact CD2-CE1 4.4Å; L85-F113 HydrophobicContact CG-CD1 4.19Å; L85-F113 HydrophobicContact CG-CE1 4.21Å; L85-A116 HydrophobicContact CD1-CB 3.5Å; L85-A116 VanDerWaalsContact CD1-CB 3.5Å; L85-A116 HydrophobicContact CD2-CB 3.71Å; L85-A116 HydrophobicContact CG-CB 4.28Å; L85-L117 HydrophobicContact CD2-CD2 4.05Å; L85-L117 HydrophobicContact CD2-CG 4.16Å
86T98.8Very high96.8Very high7 Ų729.5 Ų29.54%0.04316%0.164CC..Hα-helixtrans-67.2-41.1175.4-55.30000111.3E82 E83 T84 K89 S90 I177 Y338 I341 K342E82-T86 WeakPolarHBondContact O-CB 3.38Å; E82-T86 PolarHBondContact O-N 2.94Å; E82-T86 PolarHBondContact O-OG1 3.06Å; E83-T86 WeakPolarHBondContact O-CB 3.24Å; E83-T86 PolarHBondContact O-N 3.2Å; T84-T86 VanDerWaalsContact C-N 3.28Å; T84-T86 PolarHBondContact O-N 3.12Å; T86-K89 WeakPolarHBondContact O-CB 3.36Å; T86-K89 PolarHBondContact O-N 2.7Å; T86-S90 PolarHBondContact O-N 3.25Å; T86-I177 HydrophobicContact CG2-CD1 3.93Å; T86-Y338 HydrophobicContact CG2-CD2 3.9Å; T86-Y338 HydrophobicContact CG2-CE2 3.66Å; T86-I341 HydrophobicContact CG2-CB 4.39Å; T86-I341 HydrophobicContact CG2-CG2 3.94Å; T86-K342 HydrophobicContact CG2-CB 3.88Å
87M98.7Very high96.5Very high0 Ų033.1 Ų33.10%018%0.18CC..Hα-helixtrans-59.8-51.5171.9177.7-77.1-69.400111.2L72 V74 E83 T84 K89 S90 A91 V172 T174 I176 F178L72-M87 HydrophobicContact CD2-SD 4.12Å; V74-M87 HydrophobicContact CB-CE 3.54Å; V74-M87 HydrophobicContact CG1-CE 3.8Å; V74-M87 HydrophobicContact CG2-CE 3.53Å; E83-M87 PolarHBondContact O-N 3.29Å; T84-M87 HydrophobicContact CG2-CE 4.22Å; T84-M87 WeakPolarHBondContact O-CB 3.14Å; T84-M87 PolarHBondContact O-N 3.36Å; M87-K89 VanDerWaalsContact C-N 3.27Å; M87-K89 PolarHBondContact O-N 2.68Å; M87-S90 WeakPolarHBondContact O-CB 3.46Å; M87-S90 PolarHBondContact O-N 3.18Å; M87-S90 VanDerWaalsContact O-N 3.1Å; M87-S90 PolarHBondContact O-OG 3.04Å; M87-A91 PolarHBondContact O-N 3.5Å; M87-V172 HydrophobicContact CE-CG2 3.9Å; M87-V172 HydrophobicContact CG-CG2 4.42Å; M87-V172 HydrophobicContact SD-CG2 3.74Å; M87-T174 WeakPolarHBondContact CB-O 3.13Å; M87-I176 WeakPolarHBondContact CA-O 3.28Å; M87-I176 WeakPolarHBondContact CB-O 3.36Å; M87-I176 HydrophobicContact CG-CB 4.1Å; M87-I176 WeakPolarHBondContact CG-O 3.49Å; M87-F178 HydrophobicContact SD-CE2 4.15Å
88L98.8Very high96.5Very high1 Ų135.4 Ų35.41%0.00520%0.195CC..Hα-helixtrans-60.6-37.7179.1-67.3176.8000111.7L72 V74 T84 L85 A91 V92 F101 I103 L117 W120L72-L88 HydrophobicContact CD2-CD2 4.29Å; V74-L88 HydrophobicContact CG1-CD2 4.46Å; T84-L88 HydrophobicContact CG2-CD1 4.33Å; T84-L88 HydrophobicContact CG2-CG 4.42Å; T84-L88 VanDerWaalsContact O-CG 3.32Å; T84-L88 WeakPolarHBondContact O-CG 3.18Å; T84-L88 PolarHBondContact O-N 2.85Å; L85-L88 PolarHBondContact O-N 3.31Å; L88-A91 WeakPolarHBondContact O-CB 3.49Å; L88-A91 PolarHBondContact O-N 3.5Å; L88-V92 PolarHBondContact O-N 3.19Å; L88-F101 HydrophobicContact CB-CE2 4.17Å; L88-F101 HydrophobicContact CB-CZ 4.22Å; L88-F101 HydrophobicContact CD1-CD2 4.41Å; L88-F101 HydrophobicContact CD2-CB 4.36Å; L88-F101 HydrophobicContact CD2-CD1 3.77Å; L88-F101 HydrophobicContact CD2-CD2 3.95Å; L88-F101 HydrophobicContact CD2-CE1 3.87Å; L88-F101 HydrophobicContact CD2-CE2 4.04Å; L88-F101 HydrophobicContact CD2-CG 3.79Å; L88-F101 HydrophobicContact CD2-CZ 3.96Å; L88-I103 HydrophobicContact CD1-CD1 3.76Å; L88-I103 HydrophobicContact CD1-CG1 4.36Å; L88-L117 HydrophobicContact CD1-CD1 4.44Å; L88-L117 HydrophobicContact CD1-CD2 4.22Å; L88-W120 HydrophobicContact CB-CH2 4.02Å
89K98.7Very high96.6Very high24 Ų2433.7 Ų33.710%0.10418%0.177CC..Hα-helixtrans-60.7-48.9173.8179.5179.9-174.2-170.20111L85 T86 M87 A91 V92 L93 W120 I341 K342 Y344 F346L85-K89 VanDerWaalsContact O-CB 3.23Å; L85-K89 WeakPolarHBondContact O-CB 3.34Å; L85-K89 PolarHBondContact O-N 3.23Å; T86-K89 WeakPolarHBondContact O-CB 3.36Å; T86-K89 PolarHBondContact O-N 2.7Å; M87-K89 VanDerWaalsContact C-N 3.27Å; M87-K89 PolarHBondContact O-N 2.68Å; K89-A91 PolarHBondContact O-N 2.75Å; K89-V92 VanDerWaalsContact O-CG2 3.24Å; K89-V92 WeakPolarHBondContact O-CG2 3.34Å; K89-V92 PolarHBondContact O-N 2.77Å; K89-V92 VanDerWaalsContact O-N 3.12Å; K89-L93 HydrophobicContact CG-CD1 4.11Å; K89-L93 HydrophobicContact CG-CG 4.21Å; K89-L93 VanDerWaalsContact O-CG 3.28Å; K89-L93 WeakPolarHBondContact O-CG 3.44Å; K89-L93 PolarHBondContact O-N 3.34Å; K89-W120 HydrophobicContact CB-CH2 4.07Å; K89-W120 HydrophobicContact CB-CZ2 4.07Å; K89-I341 WeakPolarHBondContact CD-O 3.47Å; K89-I341 VanDerWaalsContact CE-O 3.22Å; K89-I341 WeakPolarHBondContact CE-O 3.48Å; K89-I341 PolarHBondContact NZ-O 2.81Å; K89-K342 PolarHBondContact NZ-O 3.22Å; K89-Y344 WeakPolarHBondContact CE-O 3.43Å; K89-Y344 PolarHBondContact NZ-O 3.23Å; K89-F346 HydrophobicContact CB-CZ 4.46Å; K89-F346 HydrophobicContact CD-CZ 4.41Å; K89-F346 HydrophobicContact CG-CE1 4.15Å; K89-F346 HydrophobicContact CG-CE2 4.37Å; K89-F346 HydrophobicContact CG-CZ 3.7Å
90S98.4Very high96.7Very high0 Ų029.5 Ų29.50%014%0.138CC..Hα-helixtrans-58.3-35.1176.478.50000112.7T86 M87 F178T86-S90 PolarHBondContact O-N 3.25Å; M87-S90 WeakPolarHBondContact O-CB 3.46Å; M87-S90 PolarHBondContact O-N 3.18Å; M87-S90 VanDerWaalsContact O-N 3.1Å; M87-S90 PolarHBondContact O-OG 3.04Å; S90-F178 PolarHBondContact OG-N 3.39Å
91A97.9Very high96.8Very high1 Ų125.7 Ų25.71%0.00812%0.124CC..Hα-helixtrans-64.8-39.517700000112.2L72 M87 L88 K89 S95 F101 F178 V182L72-A91 HydrophobicContact CD2-CB 3.85Å; M87-A91 PolarHBondContact O-N 3.5Å; L88-A91 WeakPolarHBondContact O-CB 3.49Å; L88-A91 PolarHBondContact O-N 3.5Å; K89-A91 PolarHBondContact O-N 2.75Å; A91-S95 WeakPolarHBondContact O-CB 3.31Å; A91-S95 PolarHBondContact O-OG 3.41Å; A91-F101 HydrophobicContact CB-CE1 4.28Å; A91-F101 HydrophobicContact CB-CZ 4.43Å; A91-F178 HydrophobicContact CB-CD2 3.76Å; A91-F178 HydrophobicContact CB-CE2 3.9Å; A91-V182 HydrophobicContact CB-CG2 3.79Å
92V96.9Very high96.9Very high10 Ų1023.5 Ų23.56%0.06111%0.113CC..Hα-helixtrans-86.8-25.1-179.1-70.30000114.2L88 K89 F94 S95 F101 W120 V124 F128 F346L88-V92 PolarHBondContact O-N 3.19Å; K89-V92 VanDerWaalsContact O-CG2 3.24Å; K89-V92 WeakPolarHBondContact O-CG2 3.34Å; K89-V92 PolarHBondContact O-N 2.77Å; K89-V92 VanDerWaalsContact O-N 3.12Å; V92-F94 PolarHBondContact O-N 3.34Å; V92-S95 PolarHBondContact O-N 2.95Å; V92-F101 HydrophobicContact CG1-CE2 4.17Å; V92-F101 HydrophobicContact CG1-CZ 3.61Å; V92-W120 HydrophobicContact CG2-CE3 4.43Å; V92-W120 HydrophobicContact CG2-CH2 4.37Å; V92-W120 HydrophobicContact CG2-CZ3 3.76Å; V92-V124 HydrophobicContact CB-CG1 4.44Å; V92-V124 HydrophobicContact CG2-CG1 4.01Å; V92-F128 HydrophobicContact CG1-CB 4.02Å; V92-F128 HydrophobicContact CG1-CD1 3.96Å; V92-F128 HydrophobicContact CG1-CG 4.19Å; V92-F346 HydrophobicContact CG2-CE1 4.14Å; V92-F346 HydrophobicContact CG2-CZ 4.05Å
93L95.6Very high96.9Very high12 Ų1218.5 Ų18.56%0.0639%0.089CC..Hα-helixtrans-56.2-38-177-81.1173.8000112.6K89 I341 Y344 F346 M350 L388K89-L93 HydrophobicContact CG-CD1 4.11Å; K89-L93 HydrophobicContact CG-CG 4.21Å; K89-L93 VanDerWaalsContact O-CG 3.28Å; K89-L93 WeakPolarHBondContact O-CG 3.44Å; K89-L93 PolarHBondContact O-N 3.34Å; L93-I341 HydrophobicContact CD1-CD1 3.98Å; L93-I341 HydrophobicContact CD1-CG2 4.17Å; L93-Y344 HydrophobicContact CD1-CD1 4.22Å; L93-Y344 HydrophobicContact CD2-CD1 3.67Å; L93-Y344 HydrophobicContact CD2-CE1 3.4Å; L93-Y344 VanDerWaalsContact CD2-CE1 3.4Å; L93-F346 HydrophobicContact CD2-CD1 3.79Å; L93-F346 HydrophobicContact CD2-CE1 3.62Å; L93-F346 HydrophobicContact CG-CE1 4.21Å; L93-M350 HydrophobicContact CD2-CE 4.19Å; L93-L388 VanDerWaalsContact O-CD1 3.25Å; L93-L388 WeakPolarHBondContact O-CD1 3.3Å
94F92.2Very high96.9Very high2 Ų218.2 Ų18.21%0.0099%0.088CC..SBendtrans-112.6-4-174.2-46-64.6000114V92 F178 P181 I341 M350 L354 L381 V385 L388V92-F94 PolarHBondContact O-N 3.34Å; F94-F178 WeakPolarHBondContact CE2-O 3.5Å; F94-P181 HydrophobicContact CB-CG 4.34Å; F94-P181 VanDerWaalsContact O-CB 3.24Å; F94-P181 WeakPolarHBondContact O-CB 3.14Å; F94-P181 VanDerWaalsContact O-CG 3.25Å; F94-P181 WeakPolarHBondContact O-CG 3.25Å; F94-I341 HydrophobicContact CE2-CD1 4.35Å; F94-I341 HydrophobicContact CZ-CD1 4.26Å; F94-M350 HydrophobicContact CE1-SD 4.19Å; F94-L354 HydrophobicContact CE1-CD2 4.41Å; F94-L354 HydrophobicContact CZ-CD2 4.09Å; F94-L381 HydrophobicContact CE1-CD1 3.88Å; F94-L381 HydrophobicContact CE2-CD1 3.88Å; F94-L381 HydrophobicContact CZ-CD1 3.37Å; F94-V385 HydrophobicContact CE1-CG2 4.17Å; F94-L388 HydrophobicContact CD1-CD1 3.89Å
95S92.4Very high96.9Very high14 Ų1418.2 Ų18.210%0.0989%0.088CC..  trans-72.8131.9-177.3-75.80000111.6A91 V92A91-S95 WeakPolarHBondContact O-CB 3.31Å; A91-S95 PolarHBondContact O-OG 3.41Å; V92-S95 PolarHBondContact O-N 2.95Å
96R90.8Very high96.9Very high117 Ų11719 Ų1944%0.4429%0.09SC..SBendtrans-97-17.7174.3-52.2-179.2-165.589.6-1.5112.6E183R96-E183 WeakPolarHBondContact CB-OE1 3.31Å; R96-E183 VanDerWaalsContact CG-OE1 3.28Å; R96-E183 WeakPolarHBondContact CG-OE1 3.47Å; R96-E183 PolarHBondContact N-OE1 3.46Å; R96-E183 VanDerWaalsContact N-OE1 3.08Å; R96-E183 PolarHBondContact N-OE2 2.98Å; R96-E183 IonicContact NH1-OE1 3.37Å; R96-E183 PolarHBondContact NH1-OE1 2.79Å; R96-E183 VanDerWaalsContact NH1-OE1 3.09Å
97K92.6Very high96.8Very high75 Ų7524.1 Ų24.133%0.32612%0.118SC..SBendtrans-111151.6177.1-62.5-172.2-177.6-173.60110.4D68 E183D68-K97 IonicContact OD1-NZ 3.44Å; D68-K97 PolarHBondContact OD1-NZ 3.38Å; D68-K97 WeakPolarHBondContact OD2-CD 3.45Å; D68-K97 WeakPolarHBondContact OD2-CE 3.26Å; D68-K97 IonicContact OD2-NZ 3.23Å; D68-K97 PolarHBondContact OD2-NZ 2.82Å; K97-E183 HydrophobicContact CD-CB 4.3Å
98P94.7Very high96.8Very high62 Ų6229.9 Ų29.940%0.40315%0.149SC..  trans-58.8144.8176.5-24.634.4000112.6R69 S70 T127R69-P98 WeakPolarHBondContact CA-O 3.33Å; R69-P98 HydrophobicContact CG-CB 4.36Å; R69-P98 VanDerWaalsContact CG-O 3.25Å; R69-P98 WeakPolarHBondContact CG-O 3.4Å; S70-P98 PolarHBondContact N-O 2.66Å; P98-T127 WeakPolarHBondContact CA-O 3.43Å
99V97.5Very high96.7Very high0 Ų030.6 Ų30.60%015%0.153CC..EExtended strand (participates in β ladder)trans-117.9138.1174.9-171.60000110S70 L72 F101 T127 F128 T129S70-V99 CarbonylContact O-C 3.6Å; S70-V99 WeakPolarHBondContact O-CA 3.37Å; L72-V99 HydrophobicContact CB-CG1 3.85Å; V99-F101 HydrophobicContact CB-CE1 4.06Å; V99-F101 HydrophobicContact CG1-CD1 3.78Å; V99-F101 HydrophobicContact CG1-CE1 3.56Å; V99-T127 PolarHBondContact N-O 2.87Å; V99-T127 VanDerWaalsContact N-O 3.11Å; V99-F128 CarbonylContact O-C 3.5Å; V99-F128 WeakPolarHBondContact O-CA 3.35Å; V99-F128 WeakPolarHBondContact O-CB 3.47Å; V99-T129 PolarHBondContact O-N 2.85Å
100H98.4Very high96.7Very high22 Ų2231 Ų3110%0.10216%0.155CC..EExtended strand (participates in β ladder)trans-100.8125.2165.5-168.181.3000110.1R69 S70 L72 H102 T129 T131R69-H100 HydrophobicContact CG-CB 4.44Å; S70-H100 PolarHBondContact O-N 2.76Å; L72-H100 PolarHBondContact N-O 3.02Å; H100-H102 AromaticContact CD2-CD2 3.69Å; H100-H102 AromaticContact CD2-CE1 3.44Å; H100-H102 PolarHBondContact CD2-CE1 2.98Å; H100-H102 VanDerWaalsContact CD2-CE1 3.44Å; H100-H102 AromaticContact CD2-CG 3.99Å; H100-H102 AromaticContact CD2-ND1 3.86Å; H100-H102 AromaticContact CD2-NE2 3.34Å; H100-H102 PolarHBondContact CD2-NE2 2.97Å; H100-H102 VanDerWaalsContact CD2-NE2 3.34Å; H100-H102 AromaticContact NE2-CE1 3.78Å; H100-T129 CarbonylContact C-O 3.55Å; H100-T129 WeakPolarHBondContact CA-O 3.44Å; H100-T129 PolarHBondContact ND1-OG1 2.99Å; H100-T131 PolarHBondContact CE1-OG1 3.35Å; H100-T131 VanDerWaalsContact CE1-OG1 3.26Å; H100-T131 PolarHBondContact NE2-OG1 3.35Å
101F98.9Very high96.7Very high1 Ų136.3 Ų36.30%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-92.3123.9175.3-56.3-36.9000111.4L72 L88 A91 V92 V99 I103 F128 T129 F130 T131L72-F101 HydrophobicContact CB-CD1 4.1Å; L72-F101 HydrophobicContact CB-CE1 4.48Å; L72-F101 HydrophobicContact CD2-CD1 3.92Å; L72-F101 HydrophobicContact CD2-CE1 3.72Å; L72-F101 HydrophobicContact CG-CD1 4.49Å; L72-F101 CarbonylContact O-C 3.55Å; L72-F101 WeakPolarHBondContact O-CA 3.26Å; L88-F101 HydrophobicContact CB-CE2 4.17Å; L88-F101 HydrophobicContact CB-CZ 4.22Å; L88-F101 HydrophobicContact CD1-CD2 4.41Å; L88-F101 HydrophobicContact CD2-CB 4.36Å; L88-F101 HydrophobicContact CD2-CD1 3.77Å; L88-F101 HydrophobicContact CD2-CD2 3.95Å; L88-F101 HydrophobicContact CD2-CE1 3.87Å; L88-F101 HydrophobicContact CD2-CE2 4.04Å; L88-F101 HydrophobicContact CD2-CG 3.79Å; L88-F101 HydrophobicContact CD2-CZ 3.96Å; A91-F101 HydrophobicContact CB-CE1 4.28Å; A91-F101 HydrophobicContact CB-CZ 4.43Å; V92-F101 HydrophobicContact CG1-CE2 4.17Å; V92-F101 HydrophobicContact CG1-CZ 3.61Å; V99-F101 HydrophobicContact CB-CE1 4.06Å; V99-F101 HydrophobicContact CG1-CD1 3.78Å; V99-F101 HydrophobicContact CG1-CE1 3.56Å; F101-I103 HydrophobicContact CB-CD1 4.36Å; F101-I103 HydrophobicContact CB-CG1 4.13Å; F101-F128 HydrophobicContact CD2-CB 4.41Å; F101-F128 AromaticContact CD2-CD2 3.52Å; F101-F128 HydrophobicContact CD2-CD2 3.52Å; F101-F128 HydrophobicContact CD2-CE2 4.12Å; F101-F128 HydrophobicContact CD2-CG 4.2Å; F101-F128 HydrophobicContact CE2-CB 3.96Å; F101-F128 AromaticContact CE2-CD2 3.44Å; F101-F128 HydrophobicContact CE2-CD2 3.44Å; F101-F128 VanDerWaalsContact CE2-CD2 3.44Å; F101-F128 HydrophobicContact CE2-CE2 4.04Å; F101-F128 AromaticContact CE2-CG 3.72Å; F101-F128 HydrophobicContact CE2-CG 3.72Å; F101-F128 HydrophobicContact CZ-CB 4.26Å; F101-F128 HydrophobicContact CZ-CD2 4.5Å; F101-F128 HydrophobicContact CZ-CG 4.41Å; F101-T129 PolarHBondContact N-O 2.85Å; F101-F130 HydrophobicContact CB-CB 3.81Å; F101-F130 HydrophobicContact CD2-CB 4.25Å; F101-F130 CarbonylContact O-C 3.51Å; F101-F130 VanDerWaalsContact O-CA 3.29Å; F101-F130 WeakPolarHBondContact O-CA 3.47Å; F101-T131 PolarHBondContact O-N 2.87Å
102H98.9Very high96.8Very high5 Ų537.3 Ų37.32%0.02319%0.194CC..EExtended strand (participates in β ladder)trans-102.399167-62.6-87000108.6H71 L72 A73 V74 H100 F104 Y133 L163H71-H102 AromaticContact CG-NE2 3.88Å; H71-H102 AromaticContact ND1-CD2 3.93Å; H71-H102 AromaticContact ND1-CE1 4Å; H71-H102 AromaticContact ND1-NE2 2.99Å; H71-H102 PolarHBondContact ND1-NE2 2.98Å; L72-H102 PolarHBondContact O-N 2.88Å; A73-H102 VanDerWaalsContact CA-O 3.28Å; A73-H102 WeakPolarHBondContact CA-O 3.27Å; A73-H102 HydrophobicContact CB-CB 4.06Å; V74-H102 PolarHBondContact N-O 2.91Å; V74-H102 VanDerWaalsContact N-O 3.08Å; H100-H102 AromaticContact CD2-CD2 3.69Å; H100-H102 AromaticContact CD2-CE1 3.44Å; H100-H102 PolarHBondContact CD2-CE1 2.98Å; H100-H102 VanDerWaalsContact CD2-CE1 3.44Å; H100-H102 AromaticContact CD2-CG 3.99Å; H100-H102 AromaticContact CD2-ND1 3.86Å; H100-H102 AromaticContact CD2-NE2 3.34Å; H100-H102 PolarHBondContact CD2-NE2 2.97Å; H100-H102 VanDerWaalsContact CD2-NE2 3.34Å; H100-H102 AromaticContact NE2-CE1 3.78Å; H102-F104 HydrophobicContact CB-CE2 4.28Å; H102-Y133 HydrophobicContact CB-CE2 3.97Å; H102-Y133 AromaticContact ND1-CE2 3.55Å; H102-Y133 AromaticContact ND1-CZ 3.73Å; H102-Y133 PolarHBondContact ND1-OH 3.04Å; H102-L163 HydrophobicContact CB-CD1 4.26Å
103I98.9Very high96.9Very high0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-100109.1-175.1-55.9170.8000108.2V74 L88 F101 A105 F113 L117 F130 T131 I132 Y133V74-I103 HydrophobicContact CG1-CB 4.46Å; V74-I103 HydrophobicContact CG1-CG1 4.17Å; V74-I103 HydrophobicContact CG1-CG2 4.33Å; L88-I103 HydrophobicContact CD1-CD1 3.76Å; L88-I103 HydrophobicContact CD1-CG1 4.36Å; F101-I103 HydrophobicContact CB-CD1 4.36Å; F101-I103 HydrophobicContact CB-CG1 4.13Å; I103-A105 HydrophobicContact CG2-CB 4.39Å; I103-F113 HydrophobicContact CG2-CD2 3.98Å; I103-F113 HydrophobicContact CG2-CE2 3.96Å; I103-F113 HydrophobicContact CG2-CG 4.28Å; I103-F113 HydrophobicContact CG2-CZ 4.24Å; I103-L117 HydrophobicContact CD1-CD1 3.7Å; I103-F130 HydrophobicContact CD1-CB 4.45Å; I103-T131 PolarHBondContact N-O 3.29Å; I103-I132 HydrophobicContact CB-CG1 4.4Å; I103-I132 HydrophobicContact CD1-CG1 4.49Å; I103-I132 CarbonylContact O-C 3.37Å; I103-I132 VanDerWaalsContact O-CA 3.32Å; I103-I132 WeakPolarHBondContact O-CA 3.17Å; I103-Y133 PolarHBondContact O-N 3.14Å
104F98.8Very high97Very high1 Ų141 Ų410%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-93.4118.6172-75.6-99.1000108.7V74 V75 A76 H102 Y133 I135 Q155 L159 I162 L163V74-F104 PolarHBondContact O-N 3.09Å; V75-F104 CarbonylContact C-O 3.54Å; V75-F104 VanDerWaalsContact CA-O 3.26Å; V75-F104 WeakPolarHBondContact CA-O 3.17Å; V75-F104 HydrophobicContact CB-CB 4.47Å; V75-F104 HydrophobicContact CG1-CB 4.47Å; V75-F104 HydrophobicContact CG2-CB 3.94Å; A76-F104 PolarHBondContact N-O 3.33Å; H102-F104 HydrophobicContact CB-CE2 4.28Å; F104-Y133 WeakPolarHBondContact CA-O 3.26Å; F104-Y133 HydrophobicContact CD1-CG 4.35Å; F104-Y133 HydrophobicContact CD2-CD2 4.2Å; F104-Y133 HydrophobicContact CE1-CD1 4.44Å; F104-Y133 HydrophobicContact CE1-CD2 4.46Å; F104-Y133 AromaticContact CE1-CG 3.93Å; F104-Y133 HydrophobicContact CE1-CG 3.93Å; F104-Y133 AromaticContact CE2-CD2 3.83Å; F104-Y133 HydrophobicContact CE2-CD2 3.83Å; F104-Y133 HydrophobicContact CE2-CE2 4.38Å; F104-Y133 HydrophobicContact CE2-CG 4.13Å; F104-Y133 HydrophobicContact CZ-CD1 4.25Å; F104-Y133 AromaticContact CZ-CD2 3.98Å; F104-Y133 HydrophobicContact CZ-CD2 3.98Å; F104-Y133 AromaticContact CZ-CG 3.81Å; F104-Y133 HydrophobicContact CZ-CG 3.81Å; F104-I135 HydrophobicContact CB-CD1 4.17Å; F104-Q155 HydrophobicContact CB-CG 4.17Å; F104-Q155 HydrophobicContact CD1-CG 4.07Å; F104-Q155 HydrophobicContact CG-CG 4.2Å; F104-L159 HydrophobicContact CD1-CD2 4.44Å; F104-L159 HydrophobicContact CD2-CD2 3.64Å; F104-L159 HydrophobicContact CE1-CD2 4.15Å; F104-L159 HydrophobicContact CE2-CD2 3.3Å; F104-L159 HydrophobicContact CG-CD2 4.2Å; F104-L159 HydrophobicContact CZ-CD2 3.59Å; F104-I162 HydrophobicContact CE1-CD1 4.1Å; F104-I162 HydrophobicContact CE1-CG2 4.03Å; F104-I162 HydrophobicContact CZ-CG2 3.99Å; F104-L163 HydrophobicContact CE2-CD1 4.17Å; F104-L163 HydrophobicContact CE2-CD2 4.41Å; F104-L163 HydrophobicContact CE2-CG 4.43Å; F104-L163 HydrophobicContact CZ-CD1 4.43Å; F104-L163 HydrophobicContact CZ-CD2 4.1Å; F104-L163 HydrophobicContact CZ-CG 4.2Å
105A98.5Very high97.3Very high0 Ų045.2 Ų45.20%023%0.228CC..EExtended strand (participates in β ladder)trans-145.1158.1-175.700000113.2A76 I103 L109 H110 F113 Y133 I135A76-A105 HydrophobicContact CB-CB 4.43Å; A76-A105 VanDerWaalsContact O-CA 3.25Å; A76-A105 WeakPolarHBondContact O-CA 3.46Å; I103-A105 HydrophobicContact CG2-CB 4.39Å; A105-L109 HydrophobicContact CB-CB 4.1Å; A105-L109 HydrophobicContact CB-CD1 4.32Å; A105-H110 PolarHBondContact O-NE2 3.21Å; A105-F113 HydrophobicContact CB-CD2 4.2Å; A105-F113 HydrophobicContact CB-CE2 3.84Å; A105-Y133 PolarHBondContact N-O 3.45Å; A105-I135 PolarHBondContact O-N 3.42Å
106E97.6Very high97.6Very high44 Ų4445.6 Ų45.621%0.20623%0.233CC..  trans-60.5145165.8-71.7177.6133.300110.1A76 C77 G78 D108 L109 H110 I135 K146A76-E106 PolarHBondContact O-N 3.38Å; C77-E106 WeakPolarHBondContact CA-OE2 3.32Å; C77-E106 HydrophobicContact CB-CG 4.21Å; C77-E106 WeakPolarHBondContact CB-OE2 3.11Å; C77-E106 VanDerWaalsContact SG-CG 3.59Å; G78-E106 PolarHBondContact N-OE2 2.68Å; E106-D108 WeakPolarHBondContact CB-OD1 3.27Å; E106-D108 PolarHBondContact O-N 2.82Å; E106-D108 VanDerWaalsContact O-N 3.14Å; E106-L109 WeakPolarHBondContact O-CB 3.43Å; E106-L109 PolarHBondContact O-N 3.04Å; E106-H110 PolarHBondContact O-CD2 3.24Å; E106-I135 HydrophobicContact CG-CG1 4.23Å; E106-K146 VanDerWaalsContact OE1-CE 3.29Å; E106-K146 WeakPolarHBondContact OE1-CE 3.46Å; E106-K146 IonicContact OE1-NZ 3.85Å; E106-K146 PolarHBondContact OE1-NZ 3.46Å
107D97.8Very high97.9Very high115 Ų11540 Ų4062%0.61521%0.212SC*.G310 helixtrans-58.2-32.2-169-63.2-23000112.9L109 H110D107-L109 PolarHBondContact O-N 2.89Å; D107-H110 WeakPolarHBondContact O-CB 3.29Å; D107-H110 PolarHBondContact O-N 3.4Å; D107-H110 IonicContact OD1-CE1 3.6Å; D107-H110 IonicContact OD1-NE2 3.88Å
108D97.7Very high98.2Very high122 Ų12241 Ų4165%0.65222%0.217SC*.G310 helixtrans-66.5-19.4177.266.5-36.2000113.8E106E106-D108 WeakPolarHBondContact CB-OD1 3.27Å; E106-D108 PolarHBondContact O-N 2.82Å; E106-D108 VanDerWaalsContact O-N 3.14Å
109L98.3Very high98.3Very high16 Ų1645.5 Ų45.58%0.08424%0.235CC..G310 helixtrans-88.6-14.6176.8-60.7177.2000113.3A76 L81 A105 E106 D107 D111 G112 F113A76-L109 HydrophobicContact CB-CD1 4.3Å; L81-L109 HydrophobicContact CB-CD2 4.24Å; A105-L109 HydrophobicContact CB-CB 4.1Å; A105-L109 HydrophobicContact CB-CD1 4.32Å; E106-L109 WeakPolarHBondContact O-CB 3.43Å; E106-L109 PolarHBondContact O-N 3.04Å; D107-L109 PolarHBondContact O-N 2.89Å; L109-D111 PolarHBondContact O-N 2.98Å; L109-G112 PolarHBondContact O-N 2.97Å; L109-F113 HydrophobicContact CB-CD2 4.05Å; L109-F113 HydrophobicContact CB-CE2 3.89Å; L109-F113 HydrophobicContact CD1-CE2 4.41Å; L109-F113 VanDerWaalsContact O-CD2 3.24Å; L109-F113 WeakPolarHBondContact O-CD2 3.38Å; L109-F113 PolarHBondContact O-N 3.43Å
110H98.7Very high98.3Very high33 Ų3347 Ų4715%0.15324%0.241CC..Hα-helixtrans-62.6-48-169.3-74.2-156.6000112.4A105 E106 D107 G112 F113 R114 I132A105-H110 PolarHBondContact O-NE2 3.21Å; E106-H110 PolarHBondContact O-CD2 3.24Å; D107-H110 WeakPolarHBondContact O-CB 3.29Å; D107-H110 PolarHBondContact O-N 3.4Å; D107-H110 IonicContact OD1-CE1 3.6Å; D107-H110 IonicContact OD1-NE2 3.88Å; H110-G112 VanDerWaalsContact C-N 3.32Å; H110-G112 PolarHBondContact O-N 3.42Å; H110-F113 PolarHBondContact O-N 2.95Å; H110-R114 WeakPolarHBondContact O-CB 3.3Å; H110-R114 PolarHBondContact O-N 3.49Å; H110-I132 HydrophobicContact CB-CG2 4.18Å; H110-I132 WeakPolarHBondContact O-CD1 3.28Å
111D98.5Very high98.3Very high110 Ų11048.9 Ų48.959%0.58826%0.255SS*.Hα-helixtrans-66.1-37.1178.9-72.9-19.4000111.5L109 F113 R114 N115L109-D111 PolarHBondContact O-N 2.98Å; D111-F113 PolarHBondContact O-N 2.85Å; D111-R114 PolarHBondContact O-N 2.9Å; D111-N115 VanDerWaalsContact O-CB 3.27Å; D111-N115 WeakPolarHBondContact O-CB 3.23Å; D111-N115 PolarHBondContact O-N 2.99Å; D111-N115 PolarHBondContact O-ND2 3.44Å; D111-N115 VanDerWaalsContact O-ND2 3.14Å
112G98.5Very high98.1Very high23 Ų2353.6 Ų53.624%0.23728%0.283CS..Hα-helixtrans-59.2-47.1175.100000112.1L109 H110 A116L109-G112 PolarHBondContact O-N 2.97Å; H110-G112 VanDerWaalsContact C-N 3.32Å; H110-G112 PolarHBondContact O-N 3.42Å; G112-A116 VanDerWaalsContact O-CB 3.3Å; G112-A116 WeakPolarHBondContact O-CB 3.32Å; G112-A116 PolarHBondContact O-N 2.79Å; G112-A116 VanDerWaalsContact O-N 3.13Å
113F98.8Very high97.9Very high0 Ų057 Ų570%031%0.312CS..Hα-helixtrans-64.2-47.5175.7-79.8-60.6000112.2A76 L81 T84 L85 I103 A105 L109 H110 D111 A116 L117 I132A76-F113 HydrophobicContact CB-CE2 4.04Å; A76-F113 HydrophobicContact CB-CZ 3.85Å; L81-F113 HydrophobicContact CD1-CB 4.42Å; L81-F113 HydrophobicContact CD1-CD1 3.53Å; L81-F113 HydrophobicContact CD1-CD2 3.93Å; L81-F113 HydrophobicContact CD1-CE1 3.59Å; L81-F113 HydrophobicContact CD1-CE2 3.99Å; L81-F113 HydrophobicContact CD1-CG 3.69Å; L81-F113 HydrophobicContact CD1-CZ 3.82Å; T84-F113 HydrophobicContact CG2-CE1 3.52Å; T84-F113 HydrophobicContact CG2-CZ 3.63Å; L85-F113 HydrophobicContact CD2-CD1 3.97Å; L85-F113 HydrophobicContact CD2-CE1 4.4Å; L85-F113 HydrophobicContact CG-CD1 4.19Å; L85-F113 HydrophobicContact CG-CE1 4.21Å; I103-F113 HydrophobicContact CG2-CD2 3.98Å; I103-F113 HydrophobicContact CG2-CE2 3.96Å; I103-F113 HydrophobicContact CG2-CG 4.28Å; I103-F113 HydrophobicContact CG2-CZ 4.24Å; A105-F113 HydrophobicContact CB-CD2 4.2Å; A105-F113 HydrophobicContact CB-CE2 3.84Å; L109-F113 HydrophobicContact CB-CD2 4.05Å; L109-F113 HydrophobicContact CB-CE2 3.89Å; L109-F113 HydrophobicContact CD1-CE2 4.41Å; L109-F113 VanDerWaalsContact O-CD2 3.24Å; L109-F113 WeakPolarHBondContact O-CD2 3.38Å; L109-F113 PolarHBondContact O-N 3.43Å; H110-F113 PolarHBondContact O-N 2.95Å; D111-F113 PolarHBondContact O-N 2.85Å; F113-A116 PolarHBondContact O-N 3.13Å; F113-L117 WeakPolarHBondContact O-CB 3.24Å; F113-L117 VanDerWaalsContact O-CG 3.28Å; F113-L117 WeakPolarHBondContact O-CG 3.46Å; F113-L117 PolarHBondContact O-N 2.9Å; F113-I132 HydrophobicContact CB-CD1 3.71Å
114R98.6Very high97.8Very high99 Ų9958 Ų5837%0.37432%0.318SS..Hα-helixtrans-57.7-53.6-179.3-175.1-178.6-54.1-71.6-3.7111.2H110 D111 A116 L117 E118 I132H110-R114 WeakPolarHBondContact O-CB 3.3Å; H110-R114 PolarHBondContact O-N 3.49Å; D111-R114 PolarHBondContact O-N 2.9Å; R114-A116 PolarHBondContact O-N 2.8Å; R114-L117 PolarHBondContact O-N 3.22Å; R114-E118 HydrophobicContact CG-CG 4.41Å; R114-E118 WeakPolarHBondContact CG-OE1 3.5Å; R114-E118 VanDerWaalsContact O-CB 3.31Å; R114-E118 WeakPolarHBondContact O-CB 3.15Å; R114-E118 VanDerWaalsContact O-CG 3.28Å; R114-E118 WeakPolarHBondContact O-CG 3.37Å; R114-E118 PolarHBondContact O-N 3.14Å; R114-I132 HydrophobicContact CB-CD1 4.27Å
115N98.4Very high97.6Very high90 Ų9063 Ų6348%0.48134%0.337SS..Hα-helixtrans-59.5-47.3-178.6-68.1-23.9000111.1D111 M119D111-N115 VanDerWaalsContact O-CB 3.27Å; D111-N115 WeakPolarHBondContact O-CB 3.23Å; D111-N115 PolarHBondContact O-N 2.99Å; D111-N115 PolarHBondContact O-ND2 3.44Å; D111-N115 VanDerWaalsContact O-ND2 3.14Å; N115-M119 WeakPolarHBondContact O-CB 3.04Å; N115-M119 WeakPolarHBondContact O-CG 3.37Å; N115-M119 PolarHBondContact O-N 3.34Å
116A98.4Very high97.4Very high23 Ų2368.2 Ų68.219%0.1937%0.369CS..Hα-helixtrans-64.2-45.1-17900000113L85 G112 F113 R114 M119 W120L85-A116 HydrophobicContact CD1-CB 3.5Å; L85-A116 VanDerWaalsContact CD1-CB 3.5Å; L85-A116 HydrophobicContact CD2-CB 3.71Å; L85-A116 HydrophobicContact CG-CB 4.28Å; G112-A116 VanDerWaalsContact O-CB 3.3Å; G112-A116 WeakPolarHBondContact O-CB 3.32Å; G112-A116 PolarHBondContact O-N 2.79Å; G112-A116 VanDerWaalsContact O-N 3.13Å; F113-A116 PolarHBondContact O-N 3.13Å; R114-A116 PolarHBondContact O-N 2.8Å; A116-M119 PolarHBondContact O-N 3.37Å; A116-W120 PolarHBondContact O-N 2.87Å
117L98.4Very high97.2Very high0 Ų068.2 Ų68.20%037%0.372CS..Hα-helixtrans-69.9-35.7-179.3-68.3173.9000112.3L85 L88 I103 F113 R114 M119 W120 R125 F128 F130L85-L117 HydrophobicContact CD2-CD2 4.05Å; L85-L117 HydrophobicContact CD2-CG 4.16Å; L88-L117 HydrophobicContact CD1-CD1 4.44Å; L88-L117 HydrophobicContact CD1-CD2 4.22Å; I103-L117 HydrophobicContact CD1-CD1 3.7Å; F113-L117 WeakPolarHBondContact O-CB 3.24Å; F113-L117 VanDerWaalsContact O-CG 3.28Å; F113-L117 WeakPolarHBondContact O-CG 3.46Å; F113-L117 PolarHBondContact O-N 2.9Å; R114-L117 PolarHBondContact O-N 3.22Å; L117-M119 VanDerWaalsContact C-N 3.31Å; L117-W120 HydrophobicContact CD2-CD2 4.3Å; L117-W120 HydrophobicContact CD2-CE3 4.1Å; L117-W120 HydrophobicContact CD2-CH2 3.6Å; L117-W120 HydrophobicContact CD2-CZ2 3.83Å; L117-W120 HydrophobicContact CD2-CZ3 3.74Å; L117-W120 PolarHBondContact O-N 2.88Å; L117-R125 WeakPolarHBondContact O-CD 3.22Å; L117-F128 HydrophobicContact CB-CE2 4.34Å; L117-F128 HydrophobicContact CB-CZ 4.41Å; L117-F128 HydrophobicContact CD2-CE2 4.12Å; L117-F128 HydrophobicContact CD2-CZ 4.24Å; L117-F130 HydrophobicContact CB-CD1 4.34Å; L117-F130 HydrophobicContact CB-CE1 3.95Å; L117-F130 HydrophobicContact CB-CZ 4.17Å; L117-F130 HydrophobicContact CD1-CB 4.3Å; L117-F130 HydrophobicContact CD1-CD1 3.99Å; L117-F130 HydrophobicContact CD1-CD2 3.84Å; L117-F130 HydrophobicContact CD1-CE1 4.24Å; L117-F130 HydrophobicContact CD1-CE2 4.11Å; L117-F130 HydrophobicContact CD1-CG 3.78Å; L117-F130 HydrophobicContact CD1-CZ 4.3Å
118E97.6Very high97.2Very high94 Ų9463.2 Ų63.244%0.43935%0.345SS..Hα-helixtrans-72.7-25.7176.6-71.5174.6-175.300112.6R114 W120 R125 F130R114-E118 HydrophobicContact CG-CG 4.41Å; R114-E118 WeakPolarHBondContact CG-OE1 3.5Å; R114-E118 VanDerWaalsContact O-CB 3.31Å; R114-E118 WeakPolarHBondContact O-CB 3.15Å; R114-E118 VanDerWaalsContact O-CG 3.28Å; R114-E118 WeakPolarHBondContact O-CG 3.37Å; R114-E118 PolarHBondContact O-N 3.14Å; E118-W120 VanDerWaalsContact C-N 3.33Å; E118-R125 WeakPolarHBondContact O-CD 3.31Å; E118-R125 PolarHBondContact O-NE 2.87Å; E118-F130 HydrophobicContact CG-CZ 4.29Å
119M97.3Very high97.2Very high157 Ų15760 Ų6077%0.77333%0.329SS*.THydrogen-bonded Turntrans-77.1-12.6174.1-75.4172.166.900114N115 A116 L117N115-M119 WeakPolarHBondContact O-CB 3.04Å; N115-M119 WeakPolarHBondContact O-CG 3.37Å; N115-M119 PolarHBondContact O-N 3.34Å; A116-M119 PolarHBondContact O-N 3.37Å; L117-M119 VanDerWaalsContact C-N 3.31Å
120W98Very high97.2Very high33 Ų3361.5 Ų61.513%0.12534%0.335CS..SBendtrans-63.1151174.8-72.31.6000111.5L88 K89 V92 A116 L117 E118 V124 R125 F128 F346L88-W120 HydrophobicContact CB-CH2 4.02Å; K89-W120 HydrophobicContact CB-CH2 4.07Å; K89-W120 HydrophobicContact CB-CZ2 4.07Å; V92-W120 HydrophobicContact CG2-CE3 4.43Å; V92-W120 HydrophobicContact CG2-CH2 4.37Å; V92-W120 HydrophobicContact CG2-CZ3 3.76Å; A116-W120 PolarHBondContact O-N 2.87Å; L117-W120 HydrophobicContact CD2-CD2 4.3Å; L117-W120 HydrophobicContact CD2-CE3 4.1Å; L117-W120 HydrophobicContact CD2-CH2 3.6Å; L117-W120 HydrophobicContact CD2-CZ2 3.83Å; L117-W120 HydrophobicContact CD2-CZ3 3.74Å; L117-W120 PolarHBondContact O-N 2.88Å; E118-W120 VanDerWaalsContact C-N 3.33Å; W120-V124 HydrophobicContact CE3-CG1 3.98Å; W120-R125 HydrophobicContact CB-CG 4.2Å; W120-R125 WeakPolarHBondContact O-CD 3.5Å; W120-R125 PolarHBondContact O-NE 3.1Å; W120-F128 HydrophobicContact CE3-CD1 4.47Å; W120-F128 AromaticContact CE3-CE1 3.52Å; W120-F128 HydrophobicContact CE3-CE1 3.52Å; W120-F128 AromaticContact CE3-CZ 3.59Å; W120-F128 HydrophobicContact CE3-CZ 3.59Å; W120-F128 AromaticContact CZ3-CE1 3.92Å; W120-F128 HydrophobicContact CZ3-CE1 3.92Å; W120-F128 AromaticContact CZ3-CZ 3.95Å; W120-F128 HydrophobicContact CZ3-CZ 3.95Å; W120-F346 HydrophobicContact CB-CE2 4.37Å; W120-F346 AromaticContact CD2-CE2 3.67Å; W120-F346 HydrophobicContact CD2-CE2 3.67Å; W120-F346 HydrophobicContact CD2-CZ 4.04Å; W120-F346 AromaticContact CE2-CE2 3.9Å; W120-F346 HydrophobicContact CE3-CE2 4.11Å; W120-F346 HydrophobicContact CE3-CZ 4.03Å; W120-F346 AromaticContact CG-CE2 3.77Å; W120-F346 HydrophobicContact CG-CE2 3.77Å; W120-F346 HydrophobicContact CZ3-CZ 4.32Å
121P97.4Very high97.2Very high61 Ų6162.4 Ų62.440%0.39634%0.343SS..  trans-54.9145.5-178-26.635.4000112.4A123 V124 R125 F346P121-A123 PolarHBondContact O-N 2.83Å; P121-V124 HydrophobicContact CB-CG2 4.29Å; P121-V124 HydrophobicContact CG-CG2 4.44Å; P121-V124 WeakPolarHBondContact O-CB 3.46Å; P121-V124 PolarHBondContact O-N 3.26Å; P121-R125 PolarHBondContact O-N 2.88Å; P121-F346 HydrophobicContact CG-CB 3.87Å; P121-F346 HydrophobicContact CG-CD2 4.3Å; P121-F346 HydrophobicContact CG-CG 4.45Å
122V95.7Very high97.2Very high99 Ų9958.2 Ų58.260%0.632%0.321SS*.Hα-helixtrans-52.2-43-178.2176.60000111.5V124 R125 T126V122-V124 VanDerWaalsContact C-N 3.28Å; V122-V124 PolarHBondContact O-N 3.46Å; V122-R125 PolarHBondContact O-N 3.05Å; V122-R125 VanDerWaalsContact O-N 3.13Å; V122-T126 PolarHBondContact O-N 2.68Å
123A94.1Very high97.2Very high76 Ų7659.2 Ų59.263%0.62832%0.317SS*.Hα-helixtrans-55.4-43.1177.900000112.1P121 T126P121-A123 PolarHBondContact O-N 2.83Å; A123-T126 PolarHBondContact O-OG1 2.97Å
124V95.7Very high97.2Very high21 Ų2162.5 Ų62.513%0.12734%0.339CS..Hα-helixtrans-72.1-40.5177.2-173.90000110.9V92 W120 P121 V122 T126 T127 F128 F346V92-V124 HydrophobicContact CB-CG1 4.44Å; V92-V124 HydrophobicContact CG2-CG1 4.01Å; W120-V124 HydrophobicContact CE3-CG1 3.98Å; P121-V124 HydrophobicContact CB-CG2 4.29Å; P121-V124 HydrophobicContact CG-CG2 4.44Å; P121-V124 WeakPolarHBondContact O-CB 3.46Å; P121-V124 PolarHBondContact O-N 3.26Å; V122-V124 VanDerWaalsContact C-N 3.28Å; V122-V124 PolarHBondContact O-N 3.46Å; V124-T126 PolarHBondContact O-N 3.32Å; V124-T126 VanDerWaalsContact O-N 3.07Å; V124-T127 PolarHBondContact O-N 3.39Å; V124-T127 PolarHBondContact O-OG1 3.47Å; V124-F128 HydrophobicContact CG1-CD1 4.44Å; V124-F128 HydrophobicContact CG1-CE1 4.12Å; V124-F128 VanDerWaalsContact O-CD1 3.27Å; V124-F128 WeakPolarHBondContact O-CD1 3.23Å; V124-F346 HydrophobicContact CG1-CD1 4.41Å; V124-F346 HydrophobicContact CG1-CE1 3.9Å; V124-F346 HydrophobicContact CG1-CE2 4.36Å; V124-F346 HydrophobicContact CG1-CZ 3.86Å; V124-F346 HydrophobicContact CG2-CB 4.12Å; V124-F346 HydrophobicContact CG2-CD1 3.66Å; V124-F346 HydrophobicContact CG2-CD2 4.24Å; V124-F346 HydrophobicContact CG2-CE1 4.01Å; V124-F346 HydrophobicContact CG2-CG 3.77Å; V124-F346 HydrophobicContact CG2-CZ 4.42Å
125R95.6Very high97.2Very high107 Ų10759.4 Ų59.440%0.40433%0.329SS..Hα-helixtrans-62.4-17.7179.2-70.7-169-70.3125.4-10.4114.2L117 E118 W120 P121 V122 T127 F128L117-R125 WeakPolarHBondContact O-CD 3.22Å; E118-R125 WeakPolarHBondContact O-CD 3.31Å; E118-R125 PolarHBondContact O-NE 2.87Å; W120-R125 HydrophobicContact CB-CG 4.2Å; W120-R125 WeakPolarHBondContact O-CD 3.5Å; W120-R125 PolarHBondContact O-NE 3.1Å; P121-R125 PolarHBondContact O-N 2.88Å; V122-R125 PolarHBondContact O-N 3.05Å; V122-R125 VanDerWaalsContact O-N 3.13Å; R125-T127 VanDerWaalsContact C-N 3.34Å; R125-F128 HydrophobicContact CB-CE1 4.47Å; R125-F128 HydrophobicContact CG-CE1 4.18Å; R125-F128 HydrophobicContact CG-CZ 4.22Å; R125-F128 VanDerWaalsContact O-O 3.07Å
126T93.7Very high97.1Very high110 Ų11056.9 Ų56.968%0.67532%0.321SS*.THydrogen-bonded Turntrans-79-16.1172.165.70000113.9V122 A123 V124V122-T126 PolarHBondContact O-N 2.68Å; A123-T126 PolarHBondContact O-OG1 2.97Å; V124-T126 PolarHBondContact O-N 3.32Å; V124-T126 VanDerWaalsContact O-N 3.07Å
127T93.9Very high96.9Very high43 Ų4357.4 Ų57.426%0.26432%0.319SS..SBendtrans-90.5-6.5-178.2750000113.1P98 V99 V124 R125P98-T127 WeakPolarHBondContact CA-O 3.43Å; V99-T127 PolarHBondContact N-O 2.87Å; V99-T127 VanDerWaalsContact N-O 3.11Å; V124-T127 PolarHBondContact O-N 3.39Å; V124-T127 PolarHBondContact O-OG1 3.47Å; R125-T127 VanDerWaalsContact C-N 3.34Å
128F97.5Very high96.6Very high11 Ų1160 Ų605%0.04834%0.336CS..EExtended strand (participates in β ladder)trans-146164.3176.874-81.5000113V92 V99 F101 L117 W120 V124 R125 F130V92-F128 HydrophobicContact CG1-CB 4.02Å; V92-F128 HydrophobicContact CG1-CD1 3.96Å; V92-F128 HydrophobicContact CG1-CG 4.19Å; V99-F128 CarbonylContact O-C 3.5Å; V99-F128 WeakPolarHBondContact O-CA 3.35Å; V99-F128 WeakPolarHBondContact O-CB 3.47Å; F101-F128 HydrophobicContact CD2-CB 4.41Å; F101-F128 AromaticContact CD2-CD2 3.52Å; F101-F128 HydrophobicContact CD2-CD2 3.52Å; F101-F128 HydrophobicContact CD2-CE2 4.12Å; F101-F128 HydrophobicContact CD2-CG 4.2Å; F101-F128 HydrophobicContact CE2-CB 3.96Å; F101-F128 AromaticContact CE2-CD2 3.44Å; F101-F128 HydrophobicContact CE2-CD2 3.44Å; F101-F128 VanDerWaalsContact CE2-CD2 3.44Å; F101-F128 HydrophobicContact CE2-CE2 4.04Å; F101-F128 AromaticContact CE2-CG 3.72Å; F101-F128 HydrophobicContact CE2-CG 3.72Å; F101-F128 HydrophobicContact CZ-CB 4.26Å; F101-F128 HydrophobicContact CZ-CD2 4.5Å; F101-F128 HydrophobicContact CZ-CG 4.41Å; L117-F128 HydrophobicContact CB-CE2 4.34Å; L117-F128 HydrophobicContact CB-CZ 4.41Å; L117-F128 HydrophobicContact CD2-CE2 4.12Å; L117-F128 HydrophobicContact CD2-CZ 4.24Å; W120-F128 HydrophobicContact CE3-CD1 4.47Å; W120-F128 AromaticContact CE3-CE1 3.52Å; W120-F128 HydrophobicContact CE3-CE1 3.52Å; W120-F128 AromaticContact CE3-CZ 3.59Å; W120-F128 HydrophobicContact CE3-CZ 3.59Å; W120-F128 AromaticContact CZ3-CE1 3.92Å; W120-F128 HydrophobicContact CZ3-CE1 3.92Å; W120-F128 AromaticContact CZ3-CZ 3.95Å; W120-F128 HydrophobicContact CZ3-CZ 3.95Å; V124-F128 HydrophobicContact CG1-CD1 4.44Å; V124-F128 HydrophobicContact CG1-CE1 4.12Å; V124-F128 VanDerWaalsContact O-CD1 3.27Å; V124-F128 WeakPolarHBondContact O-CD1 3.23Å; R125-F128 HydrophobicContact CB-CE1 4.47Å; R125-F128 HydrophobicContact CG-CE1 4.18Å; R125-F128 HydrophobicContact CG-CZ 4.22Å; R125-F128 VanDerWaalsContact O-O 3.07Å; F128-F130 HydrophobicContact CD2-CD1 4.32Å; F128-F130 AromaticContact CE2-CD1 3.8Å; F128-F130 HydrophobicContact CE2-CD1 3.8Å; F128-F130 HydrophobicContact CE2-CE1 4.45Å
129T98.1Very high96.1Very high53 Ų5364.9 Ų64.933%0.32536%0.359SS..EExtended strand (participates in β ladder)trans-133.5160.6165.948.50000107.7R69 V99 H100 F101R69-T129 PolarHBondContact NH1-OG1 2.77Å; V99-T129 PolarHBondContact O-N 2.85Å; H100-T129 CarbonylContact C-O 3.55Å; H100-T129 WeakPolarHBondContact CA-O 3.44Å; H100-T129 PolarHBondContact ND1-OG1 2.99Å; F101-T129 PolarHBondContact N-O 2.85Å
130F98.7Very high95.7Very high49 Ų4964.6 Ų64.622%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-144.415318068.9-84.1000112.2F101 I103 L117 E118 F128 I132F101-F130 HydrophobicContact CB-CB 3.81Å; F101-F130 HydrophobicContact CD2-CB 4.25Å; F101-F130 CarbonylContact O-C 3.51Å; F101-F130 VanDerWaalsContact O-CA 3.29Å; F101-F130 WeakPolarHBondContact O-CA 3.47Å; I103-F130 HydrophobicContact CD1-CB 4.45Å; L117-F130 HydrophobicContact CB-CD1 4.34Å; L117-F130 HydrophobicContact CB-CE1 3.95Å; L117-F130 HydrophobicContact CB-CZ 4.17Å; L117-F130 HydrophobicContact CD1-CB 4.3Å; L117-F130 HydrophobicContact CD1-CD1 3.99Å; L117-F130 HydrophobicContact CD1-CD2 3.84Å; L117-F130 HydrophobicContact CD1-CE1 4.24Å; L117-F130 HydrophobicContact CD1-CE2 4.11Å; L117-F130 HydrophobicContact CD1-CG 3.78Å; L117-F130 HydrophobicContact CD1-CZ 4.3Å; E118-F130 HydrophobicContact CG-CZ 4.29Å; F128-F130 HydrophobicContact CD2-CD1 4.32Å; F128-F130 AromaticContact CE2-CD1 3.8Å; F128-F130 HydrophobicContact CE2-CD1 3.8Å; F128-F130 HydrophobicContact CE2-CE1 4.45Å; F130-I132 HydrophobicContact CD2-CD1 4.26Å; F130-I132 HydrophobicContact CD2-CG1 3.91Å; F130-I132 HydrophobicContact CE2-CD1 3.96Å; F130-I132 HydrophobicContact CE2-CG1 4.08Å
131T98.8Very high95.3Very high51 Ų5165.2 Ų65.231%0.31336%0.361SS..EExtended strand (participates in β ladder)trans-131.1131.8167.9-48.80000108.1H100 F101 I103 Y133H100-T131 PolarHBondContact CE1-OG1 3.35Å; H100-T131 VanDerWaalsContact CE1-OG1 3.26Å; H100-T131 PolarHBondContact NE2-OG1 3.35Å; F101-T131 PolarHBondContact O-N 2.87Å; I103-T131 PolarHBondContact N-O 3.29Å; T131-Y133 HydrophobicContact CG2-CD2 4.24Å; T131-Y133 HydrophobicContact CG2-CE1 3.94Å; T131-Y133 HydrophobicContact CG2-CE2 3.57Å; T131-Y133 WeakPolarHBondContact CG2-OH 3.35Å; T131-Y133 WeakPolarHBondContact O-CE2 3.47Å
132I98.8Very high95.1Very high23 Ų2363.9 Ų63.912%0.11836%0.355CS..EExtended strand (participates in β ladder)trans-100.7130.7175.7-52.4174.6000108I103 H110 F113 R114 F130I103-I132 HydrophobicContact CB-CG1 4.4Å; I103-I132 HydrophobicContact CD1-CG1 4.49Å; I103-I132 CarbonylContact O-C 3.37Å; I103-I132 VanDerWaalsContact O-CA 3.32Å; I103-I132 WeakPolarHBondContact O-CA 3.17Å; H110-I132 HydrophobicContact CB-CG2 4.18Å; H110-I132 WeakPolarHBondContact O-CD1 3.28Å; F113-I132 HydrophobicContact CB-CD1 3.71Å; R114-I132 HydrophobicContact CB-CD1 4.27Å; F130-I132 HydrophobicContact CD2-CD1 4.26Å; F130-I132 HydrophobicContact CD2-CG1 3.91Å; F130-I132 HydrophobicContact CE2-CD1 3.96Å; F130-I132 HydrophobicContact CE2-CG1 4.08Å
133Y98.6Very high94.9Very high43 Ų4365 Ų6517%0.16936%0.357CS..EExtended strand (participates in β ladder)trans-119.1142.8-179.4-57.8-94.8000109.1H102 I103 F104 A105 T131 L163H102-Y133 HydrophobicContact CB-CE2 3.97Å; H102-Y133 AromaticContact ND1-CE2 3.55Å; H102-Y133 AromaticContact ND1-CZ 3.73Å; H102-Y133 PolarHBondContact ND1-OH 3.04Å; I103-Y133 PolarHBondContact O-N 3.14Å; F104-Y133 WeakPolarHBondContact CA-O 3.26Å; F104-Y133 HydrophobicContact CD1-CG 4.35Å; F104-Y133 HydrophobicContact CD2-CD2 4.2Å; F104-Y133 HydrophobicContact CE1-CD1 4.44Å; F104-Y133 HydrophobicContact CE1-CD2 4.46Å; F104-Y133 AromaticContact CE1-CG 3.93Å; F104-Y133 HydrophobicContact CE1-CG 3.93Å; F104-Y133 AromaticContact CE2-CD2 3.83Å; F104-Y133 HydrophobicContact CE2-CD2 3.83Å; F104-Y133 HydrophobicContact CE2-CE2 4.38Å; F104-Y133 HydrophobicContact CE2-CG 4.13Å; F104-Y133 HydrophobicContact CZ-CD1 4.25Å; F104-Y133 AromaticContact CZ-CD2 3.98Å; F104-Y133 HydrophobicContact CZ-CD2 3.98Å; F104-Y133 AromaticContact CZ-CG 3.81Å; F104-Y133 HydrophobicContact CZ-CG 3.81Å; A105-Y133 PolarHBondContact N-O 3.45Å; T131-Y133 HydrophobicContact CG2-CD2 4.24Å; T131-Y133 HydrophobicContact CG2-CE1 3.94Å; T131-Y133 HydrophobicContact CG2-CE2 3.57Å; T131-Y133 WeakPolarHBondContact CG2-OH 3.35Å; T131-Y133 WeakPolarHBondContact O-CE2 3.47Å; Y133-L163 HydrophobicContact CE1-CD2 4.04Å; Y133-L163 HydrophobicContact CE2-CD2 4.33Å
134P98.1Very high94.9Very high69 Ų6964.2 Ų64.245%0.44834%0.34SS..EExtended strand (participates in β ladder)trans-64.4156.6165.630.1-34.8000110.3A136P134-A136 PolarHBondContact O-N 3.5Å
135I97.8Very high94.9Very high34 Ų3463.2 Ų63.217%0.17433%0.334CS..  trans-62128.8167.6-58.2-56000109V75 F104 A105 E106 F137 C152V75-I135 HydrophobicContact CG1-CD1 3.87Å; F104-I135 HydrophobicContact CB-CD1 4.17Å; A105-I135 PolarHBondContact O-N 3.42Å; E106-I135 HydrophobicContact CG-CG1 4.23Å; I135-F137 HydrophobicContact CG2-CD2 3.79Å; I135-F137 HydrophobicContact CG2-CE2 3.34Å; I135-F137 HydrophobicContact CG2-CZ 4.14Å; I135-C152 HydrophobicContact CD1-CB 4.02Å; I135-C152 HydrophobicContact CG1-CB 4.42Å; I135-C152 HydrophobicContact CG2-CB 4.32Å
136A96.2Very high94.9Very high37 Ų3761.5 Ų61.531%0.30633%0.33SS..  trans-136.1110-172.800000110.8P134 Q155 I162P134-A136 PolarHBondContact O-N 3.5Å; A136-Q155 PolarHBondContact O-NE2 3Å; A136-Q155 PolarHBondContact O-OE1 3.37Å; A136-Q155 VanDerWaalsContact O-OE1 3.07Å; A136-I162 HydrophobicContact CB-CD1 3.96Å
137F95.6Very high95Very high35 Ų3563.8 Ų63.815%0.15433%0.33CS..  trans-115161.3172.5-67.5-65.1000110.3I135 E139 A142 W145 K146 S154 Q155 F158I135-F137 HydrophobicContact CG2-CD2 3.79Å; I135-F137 HydrophobicContact CG2-CE2 3.34Å; I135-F137 HydrophobicContact CG2-CZ 4.14Å; F137-E139 PolarHBondContact O-N 3.2Å; F137-A142 HydrophobicContact CB-CB 4.13Å; F137-W145 HydrophobicContact CB-CB 4.32Å; F137-W145 HydrophobicContact CD1-CB 3.51Å; F137-W145 HydrophobicContact CD1-CG 4.25Å; F137-W145 HydrophobicContact CD2-CB 4.42Å; F137-W145 HydrophobicContact CE1-CB 3.85Å; F137-W145 HydrophobicContact CG-CB 3.83Å; F137-W145 HydrophobicContact CZ-CB 4.44Å; F137-K146 HydrophobicContact CD2-CB 4.01Å; F137-K146 HydrophobicContact CE2-CB 3.65Å; F137-K146 HydrophobicContact CE2-CG 4.1Å; F137-S154 WeakPolarHBondContact CE1-OG 3.23Å; F137-S154 WeakPolarHBondContact CZ-OG 3.36Å; F137-Q155 HydrophobicContact CE1-CB 4.15Å; F137-Q155 HydrophobicContact CZ-CB 3.97Å; F137-F158 AromaticContact CD1-CD2 3.61Å; F137-F158 HydrophobicContact CD1-CD2 3.61Å; F137-F158 AromaticContact CD1-CE2 3.61Å; F137-F158 HydrophobicContact CD1-CE2 3.61Å; F137-F158 HydrophobicContact CD1-CG 4.44Å; F137-F158 HydrophobicContact CD1-CZ 4.45Å; F137-F158 AromaticContact CE1-CD2 3.77Å; F137-F158 HydrophobicContact CE1-CD2 3.77Å; F137-F158 AromaticContact CE1-CE2 3.88Å; F137-F158 HydrophobicContact CE1-CE2 3.88Å
138P90.8Very high95Very high55 Ų5563.4 Ų63.436%0.35733%0.326SS..  trans-52.9139.3166.1-22.933.6000110.4E140 A142 F158P138-E140 CarbonylContact C-O 3.56Å; P138-E140 PolarHBondContact O-N 2.72Å; P138-E140 VanDerWaalsContact O-O 3.06Å; P138-A142 WeakPolarHBondContact O-CA 3.39Å; P138-A142 WeakPolarHBondContact O-CB 3.25Å; P138-A142 PolarHBondContact O-N 2.75Å; P138-F158 VanDerWaalsContact CD-CE1 3.44Å; P138-F158 HydrophobicContact CG-CD1 4.01Å; P138-F158 HydrophobicContact CG-CE1 3.44Å; P138-F158 VanDerWaalsContact CG-CE1 3.44Å; P138-F158 HydrophobicContact CG-CZ 4.07Å
139E88.3Confident94.7Very high196 Ų19667.4 Ų67.492%0.91634%0.344SS*.SBendtrans-55.9-42.8-179.3-68.5-178.2-179.700111.1F137 N141F137-E139 PolarHBondContact O-N 3.2Å; E139-N141 PolarHBondContact O-N 2.86Å
140E87.4Confident94.4Very high150 Ų15070.6 Ų70.670%0.70135%0.353SS*.THydrogen-bonded Turntrans-68.3126.7170.4-151.1-173.6172.700109.9P138 A142P138-E140 CarbonylContact C-O 3.56Å; P138-E140 PolarHBondContact O-N 2.72Å; P138-E140 VanDerWaalsContact O-O 3.06Å; E140-A142 PolarHBondContact O-N 3.46Å
141N89.8Confident94.1Very high46 Ų4672.3 Ų72.325%0.24637%0.369CS..THydrogen-bonded Turntrans63.617179.7-56.491000115.6E139 I143 E144 W145 M259E139-N141 PolarHBondContact O-N 2.86Å; N141-I143 PolarHBondContact O-N 2.93Å; N141-I143 VanDerWaalsContact O-N 3.1Å; N141-E144 HydrophobicContact CB-CB 4.18Å; N141-E144 PolarHBondContact ND2-OE2 2.88Å; N141-E144 WeakPolarHBondContact O-CB 3.45Å; N141-E144 PolarHBondContact O-N 3.4Å; N141-W145 VanDerWaalsContact O-CD1 3.29Å; N141-W145 PolarHBondContact O-N 2.96Å; N141-M259 HydrophobicContact CB-CE 4.04Å; N141-M259 HydrophobicContact CB-SD 4.24Å; N141-M259 VanDerWaalsContact OD1-CE 3.22Å; N141-M259 WeakPolarHBondContact OD1-CE 3.39Å
142A93.1Very high93.9Very high33 Ų3369.9 Ų69.927%0.27335%0.354SS..Hα-helixtrans-48.4-42.8178.400000113.5F137 P138 E140 K146F137-A142 HydrophobicContact CB-CB 4.13Å; P138-A142 WeakPolarHBondContact O-CA 3.39Å; P138-A142 WeakPolarHBondContact O-CB 3.25Å; P138-A142 PolarHBondContact O-N 2.75Å; E140-A142 PolarHBondContact O-N 3.46Å; A142-K146 VanDerWaalsContact O-CB 3.3Å; A142-K146 WeakPolarHBondContact O-CB 3.34Å; A142-K146 PolarHBondContact O-N 3.29Å
143I93.1Very high93.8Very high123 Ų12369.2 Ų69.263%0.63135%0.352SS*.Hα-helixtrans-66.8-41.3179-62.1172.6000111.6N141 K146 K147N141-I143 PolarHBondContact O-N 2.93Å; N141-I143 VanDerWaalsContact O-N 3.1Å; I143-K146 PolarHBondContact O-N 2.93Å; I143-K147 HydrophobicContact CG2-CD 4.16Å; I143-K147 WeakPolarHBondContact O-CB 3.38Å; I143-K147 PolarHBondContact O-N 3.49Å; I143-K147 VanDerWaalsContact O-N 3.1Å
144E93.9Very high93.7Very high59 Ų5967.2 Ų67.228%0.27634%0.344SS..Hα-helixtrans-65.2-46.4179-173.4174.3-162.700109.9N141 K147 L148 L262N141-E144 HydrophobicContact CB-CB 4.18Å; N141-E144 PolarHBondContact ND2-OE2 2.88Å; N141-E144 WeakPolarHBondContact O-CB 3.45Å; N141-E144 PolarHBondContact O-N 3.4Å; E144-K147 CarbonylContact O-C 3.49Å; E144-K147 PolarHBondContact O-N 3.19Å; E144-L148 PolarHBondContact O-N 3.47Å; E144-L262 HydrophobicContact CG-CD2 4.24Å
145W96.1Very high93.7Very high0 Ų063.9 Ų63.90%032%0.323CS..Hα-helixtrans-59.6-50.3173.9-72.3117.1000111.8F137 N141 K147 L148 S154 L157 F158 L258 M259 L262 L276F137-W145 HydrophobicContact CB-CB 4.32Å; F137-W145 HydrophobicContact CD1-CB 3.51Å; F137-W145 HydrophobicContact CD1-CG 4.25Å; F137-W145 HydrophobicContact CD2-CB 4.42Å; F137-W145 HydrophobicContact CE1-CB 3.85Å; F137-W145 HydrophobicContact CG-CB 3.83Å; F137-W145 HydrophobicContact CZ-CB 4.44Å; N141-W145 VanDerWaalsContact O-CD1 3.29Å; N141-W145 PolarHBondContact O-N 2.96Å; W145-K147 PolarHBondContact O-N 3.4Å; W145-K147 VanDerWaalsContact O-N 3.12Å; W145-L148 HydrophobicContact CE3-CD2 3.84Å; W145-L148 HydrophobicContact CZ3-CD2 3.72Å; W145-L148 WeakPolarHBondContact O-CB 3.37Å; W145-L148 PolarHBondContact O-N 3.32Å; W145-S154 VanDerWaalsContact C-OG 3.29Å; W145-S154 PolarHBondContact O-OG 3.42Å; W145-L157 HydrophobicContact CZ3-CD1 3.87Å; W145-F158 HydrophobicContact CB-CE2 4.44Å; W145-F158 AromaticContact CD2-CE2 3.8Å; W145-F158 HydrophobicContact CD2-CE2 3.8Å; W145-F158 AromaticContact CD2-CZ 3.61Å; W145-F158 HydrophobicContact CD2-CZ 3.61Å; W145-F158 AromaticContact CE2-CZ 3.61Å; W145-F158 AromaticContact CE3-CE2 3.87Å; W145-F158 HydrophobicContact CE3-CE2 3.87Å; W145-F158 AromaticContact CE3-CZ 3.98Å; W145-F158 HydrophobicContact CE3-CZ 3.98Å; W145-F158 HydrophobicContact CG-CE2 4.06Å; W145-F158 AromaticContact CG-CZ 3.97Å; W145-F158 HydrophobicContact CG-CZ 3.97Å; W145-F158 HydrophobicContact CH2-CZ 4.32Å; W145-F158 AromaticContact CZ2-CZ 3.97Å; W145-F158 HydrophobicContact CZ2-CZ 3.97Å; W145-F158 HydrophobicContact CZ3-CE2 4.41Å; W145-F158 HydrophobicContact CZ3-CZ 4.33Å; W145-F158 AromaticContact NE1-CZ 3.92Å; W145-L258 HydrophobicContact CH2-CB 3.97Å; W145-L258 HydrophobicContact CZ2-CB 4.14Å; W145-M259 HydrophobicContact CZ2-CG 4.11Å; W145-M259 HydrophobicContact CZ2-SD 3.33Å; W145-M259 WeakPolarHBondContact CZ2-SD 3.35Å; W145-M259 PolarHBondContact NE1-SD 3.04Å; W145-L262 HydrophobicContact CD2-CD2 4.07Å; W145-L262 HydrophobicContact CE3-CD2 4.13Å; W145-L262 HydrophobicContact CH2-CB 3.83Å; W145-L262 HydrophobicContact CH2-CD2 3.63Å; W145-L262 HydrophobicContact CH2-CG 4.27Å; W145-L262 HydrophobicContact CZ2-CB 4.18Å; W145-L262 HydrophobicContact CZ2-CD2 3.56Å; W145-L262 HydrophobicContact CZ3-CD2 3.92Å; W145-L276 HydrophobicContact CH2-CD1 3.92Å; W145-L276 HydrophobicContact CZ3-CD1 3.69Å
146K94.9Very high93.7Very high72 Ų7262.8 Ų62.831%0.31332%0.317SS..Hα-helixtrans-57.2-31.1-179.8-173.3170.5-179.4175.10112.8E106 F137 A142 I143 P151 C152E106-K146 VanDerWaalsContact OE1-CE 3.29Å; E106-K146 WeakPolarHBondContact OE1-CE 3.46Å; E106-K146 IonicContact OE1-NZ 3.85Å; E106-K146 PolarHBondContact OE1-NZ 3.46Å; F137-K146 HydrophobicContact CD2-CB 4.01Å; F137-K146 HydrophobicContact CE2-CB 3.65Å; F137-K146 HydrophobicContact CE2-CG 4.1Å; A142-K146 VanDerWaalsContact O-CB 3.3Å; A142-K146 WeakPolarHBondContact O-CB 3.34Å; A142-K146 PolarHBondContact O-N 3.29Å; I143-K146 PolarHBondContact O-N 2.93Å; K146-P151 WeakPolarHBondContact O-CA 3.49Å; K146-C152 PolarHBondContact O-N 3.1Å
147K94.6Very high93.8Very high158 Ų15861.1 Ų61.169%0.68730%0.302SS*.THydrogen-bonded Turntrans-1069.2-176.6-64.6-179.4-179.7176.80114.3I143 E144 W145 F149I143-K147 HydrophobicContact CG2-CD 4.16Å; I143-K147 WeakPolarHBondContact O-CB 3.38Å; I143-K147 PolarHBondContact O-N 3.49Å; I143-K147 VanDerWaalsContact O-N 3.1Å; E144-K147 CarbonylContact O-C 3.49Å; E144-K147 PolarHBondContact O-N 3.19Å; W145-K147 PolarHBondContact O-N 3.4Å; W145-K147 VanDerWaalsContact O-N 3.12Å; K147-F149 VanDerWaalsContact C-N 3.27Å; K147-F149 PolarHBondContact O-N 3.45Å
148L94.6Very high93.9Very high34 Ų3459.9 Ų59.918%0.17830%0.297CS..SBendtrans-57.9-35.5-171.1-17759.9000113.8E144 W145 L262 I269 D273 L276E144-L148 PolarHBondContact O-N 3.47Å; W145-L148 HydrophobicContact CE3-CD2 3.84Å; W145-L148 HydrophobicContact CZ3-CD2 3.72Å; W145-L148 WeakPolarHBondContact O-CB 3.37Å; W145-L148 PolarHBondContact O-N 3.32Å; L148-L262 HydrophobicContact CD1-CD1 3.54Å; L148-L262 HydrophobicContact CD2-CD1 4.4Å; L148-I269 HydrophobicContact CD1-CD1 4Å; L148-D273 HydrophobicContact CD2-CB 4.34Å; L148-L276 HydrophobicContact CD2-CD1 3.98Å
149F91.7Very high94.3Very high95 Ų9557.3 Ų57.342%0.41728%0.28SS..SBendtrans-142.5-89175.6175.6-121.7000111.7K147K147-F149 VanDerWaalsContact C-N 3.27Å; K147-F149 PolarHBondContact O-N 3.45Å
150K92.5Very high94.8Very high120 Ų12048 Ų4852%0.52224%0.236SC..SBendtrans-93.1151.7163.4-63.5-58.2-178.5-1750108.9C152 A153K150-C152 PolarHBondContact O-N 2.84Å; K150-C152 VanDerWaalsContact O-N 3.08Å; K150-A153 HydrophobicContact CB-CB 4.1Å; K150-A153 WeakPolarHBondContact O-CB 3.38Å; K150-A153 PolarHBondContact O-N 3.35Å
151P92.4Very high95.3Very high85 Ų8544 Ų4455%0.55222%0.22SC*.THydrogen-bonded Turntrans-46.8122.2177-29.636.3000110.9C77 K146 A153C77-P151 HydrophobicContact CB-CB 3.94Å; K146-P151 WeakPolarHBondContact O-CA 3.49Å; P151-A153 PolarHBondContact O-N 3.29Å; P151-A153 VanDerWaalsContact O-N 3.09Å
152C94.2Very high95.6Very high0 Ų044.4 Ų44.40%022%0.222CC..THydrogen-bonded Turntrans64.90.8177.8-40.40000117.1V75 C77 I135 K146 K150 S154 Q155V75-C152 HydrophobicContact CG1-CB 3.7Å; V75-C152 WeakPolarHBondContact CG1-O 3.27Å; C77-C152 HydrophobicContact CB-CB 3.89Å; C77-C152 WeakPolarHBondContact CB-SG 3.48Å; C77-C152 WeakPolarHBondContact SG-CB 3.38Å; C77-C152 CovalentContact SG-SG 2.02Å; C77-C152 PolarHBondContact SG-SG 3.44Å; I135-C152 HydrophobicContact CD1-CB 4.02Å; I135-C152 HydrophobicContact CG1-CB 4.42Å; I135-C152 HydrophobicContact CG2-CB 4.32Å; K146-C152 PolarHBondContact O-N 3.1Å; K150-C152 PolarHBondContact O-N 2.84Å; K150-C152 VanDerWaalsContact O-N 3.08Å; C152-S154 PolarHBondContact O-N 3.5Å; C152-S154 VanDerWaalsContact O-N 3.1Å; C152-Q155 WeakPolarHBondContact O-CB 3.41Å; C152-Q155 PolarHBondContact O-N 2.94Å
153A95.6Very high95.9Very high9 Ų942.9 Ų42.97%0.07421%0.209CC..G310 helixtrans-54.3-37-177.700000113K150 P151 Q155 R156 D273K150-A153 HydrophobicContact CB-CB 4.1Å; K150-A153 WeakPolarHBondContact O-CB 3.38Å; K150-A153 PolarHBondContact O-N 3.35Å; P151-A153 PolarHBondContact O-N 3.29Å; P151-A153 VanDerWaalsContact O-N 3.09Å; A153-Q155 PolarHBondContact O-N 2.77Å; A153-Q155 VanDerWaalsContact O-N 3.15Å; A153-R156 PolarHBondContact O-N 2.98Å; A153-R156 PolarHBondContact O-NE 3.15Å; A153-D273 VanDerWaalsContact C-OD2 3.28Å; A153-D273 VanDerWaalsContact O-OD2 3.08Å
154S97.5Very high96.1Very high1 Ų144.3 Ų44.31%0.00721%0.21CC..G310 helixtrans-65.7-11.9177.464.60000114.6F137 W145 C152 R156 L157 F158F137-S154 WeakPolarHBondContact CE1-OG 3.23Å; F137-S154 WeakPolarHBondContact CZ-OG 3.36Å; W145-S154 VanDerWaalsContact C-OG 3.29Å; W145-S154 PolarHBondContact O-OG 3.42Å; C152-S154 PolarHBondContact O-N 3.5Å; C152-S154 VanDerWaalsContact O-N 3.1Å; S154-R156 PolarHBondContact O-N 2.9Å; S154-R156 VanDerWaalsContact O-N 3.09Å; S154-L157 VanDerWaalsContact O-CB 3.3Å; S154-L157 WeakPolarHBondContact O-CB 3.11Å; S154-L157 WeakPolarHBondContact O-CG 3.43Å; S154-L157 PolarHBondContact O-N 3.17Å; S154-F158 WeakPolarHBondContact O-CD2 3.36Å
155Q98.1Very high96.2Very high0 Ų048 Ų480%023%0.228CC..G310 helixtrans-53.5-30.9174.1-178.365.962.700111.2V75 F104 A136 F137 C152 A153 L157 F158 L159V75-Q155 HydrophobicContact CB-CB 4.4Å; V75-Q155 HydrophobicContact CG1-CB 3.87Å; V75-Q155 HydrophobicContact CG1-CG 4.22Å; V75-Q155 HydrophobicContact CG2-CB 3.69Å; V75-Q155 HydrophobicContact CG2-CG 3.68Å; F104-Q155 HydrophobicContact CB-CG 4.17Å; F104-Q155 HydrophobicContact CD1-CG 4.07Å; F104-Q155 HydrophobicContact CG-CG 4.2Å; A136-Q155 PolarHBondContact O-NE2 3Å; A136-Q155 PolarHBondContact O-OE1 3.37Å; A136-Q155 VanDerWaalsContact O-OE1 3.07Å; F137-Q155 HydrophobicContact CE1-CB 4.15Å; F137-Q155 HydrophobicContact CZ-CB 3.97Å; C152-Q155 WeakPolarHBondContact O-CB 3.41Å; C152-Q155 PolarHBondContact O-N 2.94Å; A153-Q155 PolarHBondContact O-N 2.77Å; A153-Q155 VanDerWaalsContact O-N 3.15Å; Q155-L157 PolarHBondContact O-N 3.44Å; Q155-F158 PolarHBondContact O-N 3.13Å; Q155-L159 PolarHBondContact O-N 3.29Å
156R97.9Very high96.2Very high11 Ų1148.3 Ų48.34%0.04223%0.229CC..G310 helixtrans-54.7-34.7175.983.4-178.782.6-156-6.8113.1A153 S154 F158 L159 Y171 D173 S228 D273A153-R156 PolarHBondContact O-N 2.98Å; A153-R156 PolarHBondContact O-NE 3.15Å; S154-R156 PolarHBondContact O-N 2.9Å; S154-R156 VanDerWaalsContact O-N 3.09Å; R156-F158 PolarHBondContact O-N 3.12Å; R156-L159 HydrophobicContact CB-CD1 4.36Å; R156-L159 PolarHBondContact O-N 2.85Å; R156-Y171 HydrophobicContact CB-CD1 4.28Å; R156-Y171 HydrophobicContact CB-CD2 3.78Å; R156-Y171 HydrophobicContact CB-CE1 4.16Å; R156-Y171 HydrophobicContact CB-CE2 3.53Å; R156-Y171 HydrophobicContact CB-CG 4.13Å; R156-Y171 VanDerWaalsContact CZ-CE1 3.46Å; R156-Y171 VanDerWaalsContact CZ-OH 3.3Å; R156-Y171 PolarHBondContact NH2-OH 3.08Å; R156-D173 IonicContact CZ-OD1 3.5Å; R156-D173 VanDerWaalsContact CZ-OD1 3.23Å; R156-D173 IonicContact NH1-OD1 3.47Å; R156-D173 PolarHBondContact NH1-OD1 3.11Å; R156-D173 IonicContact NH1-OD2 3.31Å; R156-D173 IonicContact NH2-OD1 3.61Å; R156-D173 PolarHBondContact NH2-OD1 3.49Å; R156-D173 IonicContact NH2-OD2 3.26Å; R156-S228 PolarHBondContact NH1-O 3.29Å; R156-S228 PolarHBondContact NH1-OG 3.14Å; R156-S228 VanDerWaalsContact NH1-OG 3.16Å; R156-D273 IonicContact CZ-OD2 3.82Å; R156-D273 IonicContact NE-OD2 3.42Å; R156-D273 PolarHBondContact NE-OD2 3.49Å; R156-D273 IonicContact NH2-OD2 3.3Å; R156-D273 PolarHBondContact NH2-OD2 3.35Å
157L98.4Very high96.4Very high1 Ų149.9 Ų49.91%0.00524%0.241CC..G310 helixtrans-66.9-25.3178.5-56.5176.9000112.1W145 S154 Q155 W254 L258 D273 L276 L277W145-L157 HydrophobicContact CZ3-CD1 3.87Å; S154-L157 VanDerWaalsContact O-CB 3.3Å; S154-L157 WeakPolarHBondContact O-CB 3.11Å; S154-L157 WeakPolarHBondContact O-CG 3.43Å; S154-L157 PolarHBondContact O-N 3.17Å; Q155-L157 PolarHBondContact O-N 3.44Å; L157-W254 PolarHBondContact O-NE1 3.15Å; L157-L258 HydrophobicContact CB-CD1 4.14Å; L157-L258 HydrophobicContact CB-CD2 4.37Å; L157-L258 HydrophobicContact CD1-CD2 4.34Å; L157-D273 HydrophobicContact CD1-CB 3.72Å; L157-D273 HydrophobicContact CD2-CB 4.37Å; L157-D273 HydrophobicContact CG-CB 4Å; L157-L276 HydrophobicContact CD1-CD1 3.92Å; L157-L277 HydrophobicContact CD2-CD1 4.2Å; L157-L277 HydrophobicContact CD2-CD2 3.71Å; L157-L277 HydrophobicContact CD2-CG 3.71Å
158F98.1Very high96.6Very high10 Ų1043.3 Ų43.34%0.04422%0.215CC..G310 helixtrans-99.3-8.6-174.9-61.7-81.8000113.3F137 P138 W145 S154 Q155 R156 P160 L161 I162 L258F137-F158 AromaticContact CD1-CD2 3.61Å; F137-F158 HydrophobicContact CD1-CD2 3.61Å; F137-F158 AromaticContact CD1-CE2 3.61Å; F137-F158 HydrophobicContact CD1-CE2 3.61Å; F137-F158 HydrophobicContact CD1-CG 4.44Å; F137-F158 HydrophobicContact CD1-CZ 4.45Å; F137-F158 AromaticContact CE1-CD2 3.77Å; F137-F158 HydrophobicContact CE1-CD2 3.77Å; F137-F158 AromaticContact CE1-CE2 3.88Å; F137-F158 HydrophobicContact CE1-CE2 3.88Å; P138-F158 VanDerWaalsContact CD-CE1 3.44Å; P138-F158 HydrophobicContact CG-CD1 4.01Å; P138-F158 HydrophobicContact CG-CE1 3.44Å; P138-F158 VanDerWaalsContact CG-CE1 3.44Å; P138-F158 HydrophobicContact CG-CZ 4.07Å; W145-F158 HydrophobicContact CB-CE2 4.44Å; W145-F158 AromaticContact CD2-CE2 3.8Å; W145-F158 HydrophobicContact CD2-CE2 3.8Å; W145-F158 AromaticContact CD2-CZ 3.61Å; W145-F158 HydrophobicContact CD2-CZ 3.61Å; W145-F158 AromaticContact CE2-CZ 3.61Å; W145-F158 AromaticContact CE3-CE2 3.87Å; W145-F158 HydrophobicContact CE3-CE2 3.87Å; W145-F158 AromaticContact CE3-CZ 3.98Å; W145-F158 HydrophobicContact CE3-CZ 3.98Å; W145-F158 HydrophobicContact CG-CE2 4.06Å; W145-F158 AromaticContact CG-CZ 3.97Å; W145-F158 HydrophobicContact CG-CZ 3.97Å; W145-F158 HydrophobicContact CH2-CZ 4.32Å; W145-F158 AromaticContact CZ2-CZ 3.97Å; W145-F158 HydrophobicContact CZ2-CZ 3.97Å; W145-F158 HydrophobicContact CZ3-CE2 4.41Å; W145-F158 HydrophobicContact CZ3-CZ 4.33Å; W145-F158 AromaticContact NE1-CZ 3.92Å; S154-F158 WeakPolarHBondContact O-CD2 3.36Å; Q155-F158 PolarHBondContact O-N 3.13Å; R156-F158 PolarHBondContact O-N 3.12Å; F158-P160 VanDerWaalsContact C-CD 3.44Å; F158-P160 VanDerWaalsContact C-N 3.32Å; F158-L161 HydrophobicContact CD1-CD1 4.1Å; F158-L161 WeakPolarHBondContact O-CB 3.34Å; F158-L161 PolarHBondContact O-N 2.97Å; F158-I162 HydrophobicContact CB-CD1 4.02Å; F158-I162 WeakPolarHBondContact O-CG1 3.45Å; F158-I162 PolarHBondContact O-N 3.47Å; F158-I162 VanDerWaalsContact O-N 3.14Å; F158-L258 HydrophobicContact CD1-CD1 4.28Å; F158-L258 HydrophobicContact CE1-CD1 3.8Å; F158-L258 HydrophobicContact CZ-CD1 4.06Å
159L98.5Very high96.8Very high0 Ų041.7 Ų41.70%021%0.207CC..Hα-helixtrans-53-41.4178.2-59.2175.2000113.2A73 F104 Q155 R156 L161 I162 L163 L169 Y171 M235A73-L159 HydrophobicContact CB-CD1 4.13Å; F104-L159 HydrophobicContact CD1-CD2 4.44Å; F104-L159 HydrophobicContact CD2-CD2 3.64Å; F104-L159 HydrophobicContact CE1-CD2 4.15Å; F104-L159 HydrophobicContact CE2-CD2 3.3Å; F104-L159 HydrophobicContact CG-CD2 4.2Å; F104-L159 HydrophobicContact CZ-CD2 3.59Å; Q155-L159 PolarHBondContact O-N 3.29Å; R156-L159 HydrophobicContact CB-CD1 4.36Å; R156-L159 PolarHBondContact O-N 2.85Å; L159-L161 PolarHBondContact O-N 3.36Å; L159-I162 PolarHBondContact O-N 3.35Å; L159-L163 PolarHBondContact O-N 3.47Å; L159-L169 HydrophobicContact CB-CD2 4.09Å; L159-L169 HydrophobicContact CD1-CD2 3.87Å; L159-Y171 HydrophobicContact CD1-CD2 3.6Å; L159-Y171 HydrophobicContact CD1-CE2 4.36Å; L159-Y171 HydrophobicContact CD1-CG 4.38Å; L159-M235 VanDerWaalsContact C-CE 3.42Å; L159-M235 HydrophobicContact CB-CE 3.95Å
160P98.1Very high97.1Very high0 Ų037.2 Ų37.20%019%0.187CC..Hα-helixtrans-60.7-28.4176.5-24.835.9000114.3F158 M233 M235 I238 R239F158-P160 VanDerWaalsContact C-CD 3.44Å; F158-P160 VanDerWaalsContact C-N 3.32Å; P160-M233 HydrophobicContact CG-CE 3.75Å; P160-M235 VanDerWaalsContact CA-CE 3.4Å; P160-M235 HydrophobicContact CB-CE 4.1Å; P160-M235 HydrophobicContact CB-SD 4.43Å; P160-M235 HydrophobicContact CG-CE 3.89Å; P160-M235 HydrophobicContact CG-SD 3.99Å; P160-M235 VanDerWaalsContact N-CE 3.34Å; P160-I238 HydrophobicContact CB-CG2 3.81Å; P160-I238 HydrophobicContact CG-CD1 4.5Å; P160-I238 HydrophobicContact CG-CG2 3.81Å; P160-R239 HydrophobicContact CB-CG 4.39Å; P160-R239 WeakPolarHBondContact O-CD 3.46Å; P160-R239 WeakPolarHBondContact O-CG 3.29Å; P160-R239 PolarHBondContact O-NH1 2.96Å
161L97.3Very high97.4Very high66 Ų6631.6 Ų31.635%0.34616%0.163SC..Hα-helixtrans-86.2-27.2-177.9-52.5-178.4000112.2F158 L159 K164F158-L161 HydrophobicContact CD1-CD1 4.1Å; F158-L161 WeakPolarHBondContact O-CB 3.34Å; F158-L161 PolarHBondContact O-N 2.97Å; L159-L161 PolarHBondContact O-N 3.36Å; L161-K164 WeakPolarHBondContact O-CE 3.46Å; L161-K164 WeakPolarHBondContact O-CG 3.41Å
162I97.8Very high97.7Very high56 Ų5627.6 Ų27.629%0.28714%0.136SC..Hα-helixtrans-89.9-50.6-177.8-62.5162000110.8F104 A136 F158 L159 K164F104-I162 HydrophobicContact CE1-CD1 4.1Å; F104-I162 HydrophobicContact CE1-CG2 4.03Å; F104-I162 HydrophobicContact CZ-CG2 3.99Å; A136-I162 HydrophobicContact CB-CD1 3.96Å; F158-I162 HydrophobicContact CB-CD1 4.02Å; F158-I162 WeakPolarHBondContact O-CG1 3.45Å; F158-I162 PolarHBondContact O-N 3.47Å; F158-I162 VanDerWaalsContact O-N 3.14Å; L159-I162 PolarHBondContact O-N 3.35Å; I162-K164 VanDerWaalsContact C-N 3.28Å; I162-K164 PolarHBondContact O-N 3.14Å
163L98.1Very high97.9Very high1 Ų129 Ų291%0.00514%0.144CC..  trans-87.262.1-176.6-59.5178.3000111.1H102 F104 Y133 L159 Q165 V166 L169 R239H102-L163 HydrophobicContact CB-CD1 4.26Å; F104-L163 HydrophobicContact CE2-CD1 4.17Å; F104-L163 HydrophobicContact CE2-CD2 4.41Å; F104-L163 HydrophobicContact CE2-CG 4.43Å; F104-L163 HydrophobicContact CZ-CD1 4.43Å; F104-L163 HydrophobicContact CZ-CD2 4.1Å; F104-L163 HydrophobicContact CZ-CG 4.2Å; Y133-L163 HydrophobicContact CE1-CD2 4.04Å; Y133-L163 HydrophobicContact CE2-CD2 4.33Å; L159-L163 PolarHBondContact O-N 3.47Å; L163-Q165 PolarHBondContact O-N 3.25Å; L163-V166 HydrophobicContact CB-CB 4.01Å; L163-V166 HydrophobicContact CB-CG2 3.93Å; L163-V166 PolarHBondContact O-N 3.49Å; L163-V166 VanDerWaalsContact O-N 3.14Å; L163-L169 HydrophobicContact CD1-CD1 4.4Å; L163-L169 HydrophobicContact CD1-CD2 3.97Å; L163-R239 PolarHBondContact O-NH1 3Å; L163-R239 VanDerWaalsContact O-NH1 3.1Å
164K96.9Very high98.1Very high153 Ų15329.2 Ų29.267%0.66515%0.145SC*.THydrogen-bonded Turntrans-62.8-27.6-173.6-64.1-175.5-179.5179.10113.9L161 I162 R239L161-K164 WeakPolarHBondContact O-CE 3.46Å; L161-K164 WeakPolarHBondContact O-CG 3.41Å; I162-K164 VanDerWaalsContact C-N 3.28Å; I162-K164 PolarHBondContact O-N 3.14Å; K164-R239 PolarHBondContact O-NH2 3.17Å
165Q96.4Very high98.1Very high136 Ų13630 Ų3064%0.63615%0.148SC*.THydrogen-bonded Turntrans-89-2.9-179.673-77.715.500113.9L163L163-Q165 PolarHBondContact O-N 3.25Å
166V97.8Very high98.1Very high6 Ų630 Ų304%0.03615%0.148CC..  trans-100.5122.3179.4178.80000108.3H71 L163 S168 L169 M235 R239H71-V166 HydrophobicContact CB-CG1 4.27Å; L163-V166 HydrophobicContact CB-CB 4.01Å; L163-V166 HydrophobicContact CB-CG2 3.93Å; L163-V166 PolarHBondContact O-N 3.49Å; L163-V166 VanDerWaalsContact O-N 3.14Å; V166-S168 WeakPolarHBondContact CG1-O 3.32Å; V166-L169 HydrophobicContact CG1-CD1 4.42Å; V166-M235 VanDerWaalsContact O-CB 3.23Å; V166-M235 WeakPolarHBondContact O-CB 3.46Å; V166-R239 PolarHBondContact O-NH1 3.04Å; V166-R239 PolarHBondContact O-NH2 2.76Å
167D97.8Very high98.2Very high106 Ų10629.5 Ų29.557%0.56715%0.147SC*.SBendtrans-83.4-32.3-177-74.5-39.7000113.4M235 T236D167-M235 PolarHBondContact O-N 2.77Å; D167-T236 PolarHBondContact O-N 2.92Å; D167-T236 PolarHBondContact OD1-OG1 3.02Å
168S98.4Very high98.2Very high20 Ų2029.6 Ų29.614%0.1415%0.147CC..EExtended strand (participates in β ladder)trans-144.5151.5178-62.90000110.1V166 W186 M233V166-S168 WeakPolarHBondContact CG1-O 3.32Å; S168-W186 VanDerWaalsContact O-CH2 3.29Å; S168-W186 WeakPolarHBondContact O-CH2 3.37Å; S168-M233 CarbonylContact C-O 3.36Å; S168-M233 WeakPolarHBondContact CA-O 3.24Å; S168-M233 WeakPolarHBondContact CB-O 3.33Å
169L98.7Very high98.2Very high0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans-149.3135.5-173.4-170.166000109.4H71 A73 L159 L163 V166 L232 M233 M235H71-L169 HydrophobicContact CB-CD1 3.86Å; A73-L169 HydrophobicContact CB-CD1 3.7Å; A73-L169 HydrophobicContact CB-CD2 3.67Å; A73-L169 HydrophobicContact CB-CG 3.85Å; L159-L169 HydrophobicContact CB-CD2 4.09Å; L159-L169 HydrophobicContact CD1-CD2 3.87Å; L163-L169 HydrophobicContact CD1-CD1 4.4Å; L163-L169 HydrophobicContact CD1-CD2 3.97Å; V166-L169 HydrophobicContact CG1-CD1 4.42Å; L169-L232 CarbonylContact O-C 3.6Å; L169-M233 HydrophobicContact CB-CB 4.43Å; L169-M233 PolarHBondContact N-O 3.1Å; L169-M233 WeakPolarHBondContact O-CB 3.26Å; L169-M233 PolarHBondContact O-N 3.27Å; L169-M235 HydrophobicContact CB-CE 4.21Å; L169-M235 HydrophobicContact CB-CG 3.75Å; L169-M235 HydrophobicContact CB-SD 3.85Å; L169-M235 HydrophobicContact CD2-CE 3.7Å; L169-M235 HydrophobicContact CD2-SD 4.21Å
170L98.9Very high98.1Very high0 Ų031 Ų310%015%0.152CC..EExtended strand (participates in β ladder)trans-98.3109.9163174.663.3000107H71 L72 A73 V172 F178 V182 I185 W186 V230 L232H71-L170 PolarHBondContact O-N 3.45Å; L72-L170 CarbonylContact C-O 3.6Å; L72-L170 VanDerWaalsContact CA-O 3.31Å; L72-L170 WeakPolarHBondContact CA-O 3.42Å; L72-L170 HydrophobicContact CD1-CB 4.17Å; L72-L170 HydrophobicContact CD1-CD2 3.68Å; L72-L170 HydrophobicContact CD1-CG 3.77Å; A73-L170 PolarHBondContact N-O 2.91Å; L170-V172 HydrophobicContact CD1-CG1 4.39Å; L170-V172 HydrophobicContact CG-CG1 4.16Å; L170-F178 HydrophobicContact CD2-CE1 4.14Å; L170-F178 HydrophobicContact CD2-CZ 4.13Å; L170-V182 HydrophobicContact CD2-CG1 3.95Å; L170-I185 HydrophobicContact CD1-CD1 3.95Å; L170-I185 HydrophobicContact CD1-CG1 4.32Å; L170-I185 HydrophobicContact CD2-CG2 3.53Å; L170-W186 HydrophobicContact CB-CE3 4.21Å; L170-W186 HydrophobicContact CB-CZ3 4.35Å; L170-V230 HydrophobicContact CD1-CG1 4.04Å; L170-L232 HydrophobicContact CB-CD1 4.04Å; L170-L232 HydrophobicContact CD1-CB 4.31Å; L170-L232 HydrophobicContact CD1-CD1 4.24Å
171Y98.9Very high98Very high3 Ų331.1 Ų31.11%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-87.7138.5169.1170.8-83.9000109.7A73 V75 R156 L159 D173 M231A73-Y171 HydrophobicContact CB-CD2 4.48Å; A73-Y171 WeakPolarHBondContact O-CA 3.36Å; V75-Y171 HydrophobicContact CB-CE2 4.49Å; V75-Y171 HydrophobicContact CG2-CE2 3.86Å; R156-Y171 HydrophobicContact CB-CD1 4.28Å; R156-Y171 HydrophobicContact CB-CD2 3.78Å; R156-Y171 HydrophobicContact CB-CE1 4.16Å; R156-Y171 HydrophobicContact CB-CE2 3.53Å; R156-Y171 HydrophobicContact CB-CG 4.13Å; R156-Y171 VanDerWaalsContact CZ-CE1 3.46Å; R156-Y171 VanDerWaalsContact CZ-OH 3.3Å; R156-Y171 PolarHBondContact NH2-OH 3.08Å; L159-Y171 HydrophobicContact CD1-CD2 3.6Å; L159-Y171 HydrophobicContact CD1-CE2 4.36Å; L159-Y171 HydrophobicContact CD1-CG 4.38Å; Y171-D173 WeakPolarHBondContact CE1-OD1 3.48Å; Y171-D173 PolarHBondContact OH-OD1 2.9Å; Y171-M231 HydrophobicContact CD1-CB 4.45Å; Y171-M231 PolarHBondContact N-O 2.96Å; Y171-M231 PolarHBondContact O-N 3.16Å
172V98.9Very high98Very high0 Ų028 Ų280%014%0.137CC..EExtended strand (participates in β ladder)trans-136.5148.6172.6-66.40000112.3L72 A73 M87 L170 I176 F178 G229 V230L72-V172 HydrophobicContact CD1-CB 4.48Å; L72-V172 HydrophobicContact CD1-CG1 4Å; L72-V172 HydrophobicContact CD1-CG2 3.69Å; L72-V172 HydrophobicContact CG-CG2 4.24Å; A73-V172 PolarHBondContact O-N 2.97Å; M87-V172 HydrophobicContact CE-CG2 3.9Å; M87-V172 HydrophobicContact CG-CG2 4.42Å; M87-V172 HydrophobicContact SD-CG2 3.74Å; L170-V172 HydrophobicContact CD1-CG1 4.39Å; L170-V172 HydrophobicContact CG-CG1 4.16Å; V172-I176 HydrophobicContact CB-CB 4.13Å; V172-I176 HydrophobicContact CB-CG1 3.91Å; V172-I176 HydrophobicContact CB-CG2 4.27Å; V172-I176 HydrophobicContact CG1-CG1 4.43Å; V172-I176 HydrophobicContact CG1-CG2 4.23Å; V172-F178 HydrophobicContact CG1-CZ 3.87Å; V172-G229 CarbonylContact C-O 3.54Å; V172-G229 VanDerWaalsContact CA-O 3.27Å; V172-G229 WeakPolarHBondContact CA-O 3.28Å; V172-V230 HydrophobicContact CG1-CG1 4.41Å
173D98.6Very high97.9Very high29 Ų2926.4 Ų26.416%0.15513%0.128CC..  trans-70.4161.8168.3-74.7-16.6000111.3R156 Y171 D175 I176 G229 H320R156-D173 IonicContact CZ-OD1 3.5Å; R156-D173 VanDerWaalsContact CZ-OD1 3.23Å; R156-D173 IonicContact NH1-OD1 3.47Å; R156-D173 PolarHBondContact NH1-OD1 3.11Å; R156-D173 IonicContact NH1-OD2 3.31Å; R156-D173 IonicContact NH2-OD1 3.61Å; R156-D173 PolarHBondContact NH2-OD1 3.49Å; R156-D173 IonicContact NH2-OD2 3.26Å; Y171-D173 WeakPolarHBondContact CE1-OD1 3.48Å; Y171-D173 PolarHBondContact OH-OD1 2.9Å; D173-D175 WeakPolarHBondContact CB-OD1 3.25Å; D173-D175 PolarHBondContact O-N 3.35Å; D173-I176 HydrophobicContact CB-CG1 4.31Å; D173-I176 WeakPolarHBondContact O-CB 3.48Å; D173-I176 WeakPolarHBondContact O-CG1 3.04Å; D173-I176 PolarHBondContact O-N 3.02Å; D173-G229 PolarHBondContact N-O 3.06Å; D173-G229 WeakPolarHBondContact OD2-CA 3.4Å; D173-H320 IonicContact OD2-NE2 2.69Å
174T98.5Very high97.9Very high15 Ų1528.4 Ų28.49%0.09214%0.139CC..THydrogen-bonded Turntrans-67.8-24.2-175.657.30000113.2V74 V75 A76 R80 E83 T84 M87 I176V74-T174 HydrophobicContact CG2-CG2 3.74Å; V75-T174 WeakPolarHBondContact O-CG2 3.28Å; A76-T174 HydrophobicContact CB-CG2 4.26Å; R80-T174 HydrophobicContact CB-CG2 4.5Å; E83-T174 WeakPolarHBondContact CG-O 3.49Å; E83-T174 VanDerWaalsContact OE1-CB 3.29Å; E83-T174 WeakPolarHBondContact OE1-CB 3.31Å; E83-T174 PolarHBondContact OE1-OG1 3.49Å; T84-T174 VanDerWaalsContact OG1-CG2 3.24Å; T84-T174 WeakPolarHBondContact OG1-CG2 3.35Å; M87-T174 WeakPolarHBondContact CB-O 3.13Å; T174-I176 VanDerWaalsContact C-N 3.31Å; T174-I176 PolarHBondContact O-N 3.35Å
175D98.4Very high97.9Very high16 Ų1621.1 Ų21.19%0.08611%0.107CC..THydrogen-bonded Turntrans-95.228.1179.957.7-1.8000112.8D173 H320 G321 N322 Y326D173-D175 WeakPolarHBondContact CB-OD1 3.25Å; D173-D175 PolarHBondContact O-N 3.35Å; D175-H320 IonicContact OD1-CD2 3.35Å; D175-H320 PolarHBondContact OD1-CD2 3.48Å; D175-H320 IonicContact OD1-NE2 2.8Å; D175-H320 PolarHBondContact OD1-NE2 3.39Å; D175-G321 PolarHBondContact O-N 2.81Å; D175-N322 WeakPolarHBondContact OD2-CA 3.41Å; D175-N322 PolarHBondContact OD2-N 3.22Å; D175-Y326 HydrophobicContact CB-CD2 4.12Å; D175-Y326 HydrophobicContact CB-CE2 3.99Å; D175-Y326 WeakPolarHBondContact O-CE2 2.91Å; D175-Y326 PolarHBondContact O-OH 3.09Å
176I98.8Very high98Very high0 Ų016.6 Ų16.60%08%0.084CC..EExtended strand (participates in β ladder)trans-90.1138.4170.7-66.5-57000110.9M87 V172 D173 T174 F178 V230 I318 H320M87-I176 WeakPolarHBondContact CA-O 3.28Å; M87-I176 WeakPolarHBondContact CB-O 3.36Å; M87-I176 HydrophobicContact CG-CB 4.1Å; M87-I176 WeakPolarHBondContact CG-O 3.49Å; V172-I176 HydrophobicContact CB-CB 4.13Å; V172-I176 HydrophobicContact CB-CG1 3.91Å; V172-I176 HydrophobicContact CB-CG2 4.27Å; V172-I176 HydrophobicContact CG1-CG1 4.43Å; V172-I176 HydrophobicContact CG1-CG2 4.23Å; D173-I176 HydrophobicContact CB-CG1 4.31Å; D173-I176 WeakPolarHBondContact O-CB 3.48Å; D173-I176 WeakPolarHBondContact O-CG1 3.04Å; D173-I176 PolarHBondContact O-N 3.02Å; T174-I176 VanDerWaalsContact C-N 3.31Å; T174-I176 PolarHBondContact O-N 3.35Å; I176-F178 HydrophobicContact CG2-CD2 4.34Å; I176-F178 HydrophobicContact CG2-CE2 4.04Å; I176-F178 HydrophobicContact CG2-CZ 4.26Å; I176-V230 HydrophobicContact CD1-CG2 3.61Å; I176-V230 HydrophobicContact CG1-CG2 4.17Å; I176-I318 HydrophobicContact CD1-CG2 4.3Å; I176-I318 HydrophobicContact CG2-CG2 3.42Å; I176-I318 VanDerWaalsContact CG2-CG2 3.42Å; I176-H320 HydrophobicContact CD1-CB 3.46Å; I176-H320 VanDerWaalsContact CD1-CB 3.46Å; I176-H320 VanDerWaalsContact CD1-CG 3.47Å
177I98.8Very high98Very high2 Ų217.8 Ų17.81%0.0110%0.098CC..EExtended strand (participates in β ladder)trans-126.3120.8170.1-62.3-65.4000109.1T86 L179 L319 Y326 V337 Y338 I341T86-I177 HydrophobicContact CG2-CD1 3.93Å; I177-L179 HydrophobicContact CG2-CD2 3.89Å; I177-L319 HydrophobicContact CB-CB 4.36Å; I177-L319 PolarHBondContact N-O 3.39Å; I177-L319 PolarHBondContact O-N 3.01Å; I177-Y326 HydrophobicContact CG1-CE2 4.08Å; I177-Y326 WeakPolarHBondContact CG1-OH 3.48Å; I177-V337 HydrophobicContact CG2-CG1 4.22Å; I177-Y338 HydrophobicContact CD1-CD2 4.15Å; I177-I341 HydrophobicContact CD1-CG2 4.46Å; I177-I341 HydrophobicContact CG2-CG1 3.98Å
178F98.8Very high98Very high2 Ų213.3 Ų13.31%0.0097%0.074CC..EExtended strand (participates in β ladder)trans-78.9123.9173.5-65.8-87.4000109.8L72 M87 S90 A91 F94 L170 V172 I176 V182 I185 I318L72-F178 HydrophobicContact CD1-CE2 4.37Å; L72-F178 HydrophobicContact CD1-CZ 3.9Å; L72-F178 HydrophobicContact CD2-CE2 4.28Å; M87-F178 HydrophobicContact SD-CE2 4.15Å; S90-F178 PolarHBondContact OG-N 3.39Å; A91-F178 HydrophobicContact CB-CD2 3.76Å; A91-F178 HydrophobicContact CB-CE2 3.9Å; F94-F178 WeakPolarHBondContact CE2-O 3.5Å; L170-F178 HydrophobicContact CD2-CE1 4.14Å; L170-F178 HydrophobicContact CD2-CZ 4.13Å; V172-F178 HydrophobicContact CG1-CZ 3.87Å; I176-F178 HydrophobicContact CG2-CD2 4.34Å; I176-F178 HydrophobicContact CG2-CE2 4.04Å; I176-F178 HydrophobicContact CG2-CZ 4.26Å; F178-V182 HydrophobicContact CD1-CG2 3.95Å; F178-V182 HydrophobicContact CD2-CG2 4.36Å; F178-V182 HydrophobicContact CE1-CG2 3.99Å; F178-V182 HydrophobicContact CE2-CG2 4.39Å; F178-V182 HydrophobicContact CG-CG2 4.14Å; F178-V182 HydrophobicContact CZ-CG2 4.2Å; F178-I185 HydrophobicContact CE1-CG2 4.49Å; F178-I318 HydrophobicContact CD1-CD1 3.94Å; F178-I318 HydrophobicContact CD1-CG1 3.94Å; F178-I318 HydrophobicContact CE1-CD1 3.71Å; F178-I318 HydrophobicContact CE1-CG1 4.23Å
179L98.2Very high98Very high0 Ų013.9 Ų13.90%08%0.076CC..SBendtrans-102.60.9173.8-56.7-178.4000112.1I177 V316 F317 L319 V337 L381 S384I177-L179 HydrophobicContact CG2-CD2 3.89Å; L179-V316 HydrophobicContact CD1-CB 4.03Å; L179-V316 HydrophobicContact CD1-CG1 3.86Å; L179-F317 PolarHBondContact N-O 2.87Å; L179-L319 HydrophobicContact CD1-CB 4.26Å; L179-V337 HydrophobicContact CD2-CG1 3.86Å; L179-L381 HydrophobicContact CD2-CD1 4.29Å; L179-L381 HydrophobicContact CD2-CD2 4.45Å; L179-S384 PolarHBondContact O-OG 3.14Å
180R96.4Very high97.9Very high39 Ų3918.9 Ų18.915%0.14711%0.11CC..SBendtrans-146.8163.9176.277.9175.7-68.3165.40.8110.5D184 W295 F317 R380 S384R180-D184 IonicContact CZ-OD2 3.34Å; R180-D184 IonicContact NE-OD2 3.47Å; R180-D184 PolarHBondContact NE-OD2 3.41Å; R180-D184 IonicContact NH2-OD1 2.7Å; R180-D184 IonicContact NH2-OD2 2.72Å; R180-D184 PolarHBondContact NH2-OD2 2.94Å; R180-W295 HydrophobicContact CG-CZ3 4.36Å; R180-F317 VanDerWaalsContact CD-CB 3.41Å; R180-F317 HydrophobicContact CG-CB 3.97Å; R180-F317 HydrophobicContact CG-CG 4.36Å; R180-F317 VanDerWaalsContact NH1-CD2 3.33Å; R180-R380 HydrophobicContact CB-CG 4.16Å; R180-S384 WeakPolarHBondContact CA-OG 3.44Å
181P96.6Very high97.8Very high3 Ų323.9 Ų23.92%0.01913%0.134CC..  trans-54.4140.6-178.9-18.323.5000113.9F94 E183 D184F94-P181 HydrophobicContact CB-CG 4.34Å; F94-P181 VanDerWaalsContact O-CB 3.24Å; F94-P181 WeakPolarHBondContact O-CB 3.14Å; F94-P181 VanDerWaalsContact O-CG 3.25Å; F94-P181 WeakPolarHBondContact O-CG 3.25Å; P181-E183 VanDerWaalsContact C-N 3.26Å; P181-E183 HydrophobicContact CB-CG 4.1Å; P181-E183 WeakPolarHBondContact CB-OE1 3.19Å; P181-E183 VanDerWaalsContact CB-OE2 3.22Å; P181-E183 WeakPolarHBondContact CB-OE2 3.46Å; P181-E183 PolarHBondContact O-N 3.46Å; P181-D184 WeakPolarHBondContact CD-OD2 3.49Å; P181-D184 WeakPolarHBondContact O-CB 3.46Å; P181-D184 PolarHBondContact O-N 3.25Å
182V97.3Very high97.8Very high1 Ų124.7 Ų24.71%0.00614%0.137CC..Hα-helixtrans-65.1-31.4-178.9176.20000111.5A91 L170 F178 D184 I185 W186A91-V182 HydrophobicContact CB-CG2 3.79Å; L170-V182 HydrophobicContact CD2-CG1 3.95Å; F178-V182 HydrophobicContact CD1-CG2 3.95Å; F178-V182 HydrophobicContact CD2-CG2 4.36Å; F178-V182 HydrophobicContact CE1-CG2 3.99Å; F178-V182 HydrophobicContact CE2-CG2 4.39Å; F178-V182 HydrophobicContact CG-CG2 4.14Å; F178-V182 HydrophobicContact CZ-CG2 4.2Å; V182-D184 PolarHBondContact O-N 2.96Å; V182-D184 VanDerWaalsContact O-N 3.12Å; V182-I185 WeakPolarHBondContact O-CG2 3.47Å; V182-I185 PolarHBondContact O-N 3.34Å; V182-W186 WeakPolarHBondContact O-CB 3.28Å; V182-W186 PolarHBondContact O-N 3.41Å; V182-W186 VanDerWaalsContact O-N 3.12Å
183E95.5Very high97.8Very high22 Ų2228.4 Ų28.410%0.10316%0.157CC..Hα-helixtrans-60.2-22.4178.563.9-91.7-154.800113.5R96 K97 P181 W186 G187R96-E183 WeakPolarHBondContact CB-OE1 3.31Å; R96-E183 VanDerWaalsContact CG-OE1 3.28Å; R96-E183 WeakPolarHBondContact CG-OE1 3.47Å; R96-E183 PolarHBondContact N-OE1 3.46Å; R96-E183 VanDerWaalsContact N-OE1 3.08Å; R96-E183 PolarHBondContact N-OE2 2.98Å; R96-E183 IonicContact NH1-OE1 3.37Å; R96-E183 PolarHBondContact NH1-OE1 2.79Å; R96-E183 VanDerWaalsContact NH1-OE1 3.09Å; K97-E183 HydrophobicContact CD-CB 4.3Å; P181-E183 VanDerWaalsContact C-N 3.26Å; P181-E183 HydrophobicContact CB-CG 4.1Å; P181-E183 WeakPolarHBondContact CB-OE1 3.19Å; P181-E183 VanDerWaalsContact CB-OE2 3.22Å; P181-E183 WeakPolarHBondContact CB-OE2 3.46Å; P181-E183 PolarHBondContact O-N 3.46Å; E183-W186 PolarHBondContact O-N 2.85Å; E183-G187 PolarHBondContact O-N 2.77Å
184D96.9Very high97.7Very high44 Ų4431.4 Ų31.424%0.23519%0.186CC..Hα-helixtrans-73-43.5-178-63.1-27.7000111.6R180 P181 V182 G187 W295R180-D184 IonicContact CZ-OD2 3.34Å; R180-D184 IonicContact NE-OD2 3.47Å; R180-D184 PolarHBondContact NE-OD2 3.41Å; R180-D184 IonicContact NH2-OD1 2.7Å; R180-D184 IonicContact NH2-OD2 2.72Å; R180-D184 PolarHBondContact NH2-OD2 2.94Å; P181-D184 WeakPolarHBondContact CD-OD2 3.49Å; P181-D184 WeakPolarHBondContact O-CB 3.46Å; P181-D184 PolarHBondContact O-N 3.25Å; V182-D184 PolarHBondContact O-N 2.96Å; V182-D184 VanDerWaalsContact O-N 3.12Å; D184-G187 PolarHBondContact O-N 2.77Å; D184-W295 HydrophobicContact CB-CH2 3.78Å; D184-W295 HydrophobicContact CB-CZ3 4.36Å
185I98.3Very high97.7Very high0 Ų033.5 Ų33.50%020%0.201CC..Hα-helixtrans-71.2-37.6172-175.5162.5000110.7L170 F178 V182 G187 L188 V230 L232 F291 W295 I318L170-I185 HydrophobicContact CD1-CD1 3.95Å; L170-I185 HydrophobicContact CD1-CG1 4.32Å; L170-I185 HydrophobicContact CD2-CG2 3.53Å; F178-I185 HydrophobicContact CE1-CG2 4.49Å; V182-I185 WeakPolarHBondContact O-CG2 3.47Å; V182-I185 PolarHBondContact O-N 3.34Å; I185-G187 PolarHBondContact O-N 2.74Å; I185-L188 HydrophobicContact CG1-CD1 4.16Å; I185-L188 VanDerWaalsContact O-CB 3.25Å; I185-L188 WeakPolarHBondContact O-CB 3.13Å; I185-L188 WeakPolarHBondContact O-CG 3.37Å; I185-L188 PolarHBondContact O-N 2.74Å; I185-V230 HydrophobicContact CD1-CG1 3.5Å; I185-V230 VanDerWaalsContact CD1-CG1 3.5Å; I185-L232 VanDerWaalsContact O-CD2 3.23Å; I185-L232 WeakPolarHBondContact O-CD2 3.45Å; I185-F291 HydrophobicContact CD1-CE1 4.28Å; I185-F291 HydrophobicContact CD1-CZ 4.34Å; I185-W295 HydrophobicContact CB-CE3 3.69Å; I185-W295 HydrophobicContact CB-CH2 4.16Å; I185-W295 HydrophobicContact CB-CZ3 3.46Å; I185-W295 VanDerWaalsContact CB-CZ3 3.46Å; I185-W295 HydrophobicContact CD1-CE3 4.02Å; I185-W295 HydrophobicContact CG1-CE3 4.1Å; I185-W295 HydrophobicContact CG1-CZ3 4.34Å; I185-W295 HydrophobicContact CG2-CZ3 4.41Å; I185-I318 HydrophobicContact CB-CD1 4.47Å; I185-I318 HydrophobicContact CD1-CD1 3.63Å; I185-I318 HydrophobicContact CG2-CD1 4.34Å
186W98.2Very high97.7Very high40 Ų4034 Ų3415%0.15220%0.203CC..Hα-helixtrans-58.4-38.7175.9-174-100.8000111.6H71 S168 L170 V182 E183 L188 L189 L232H71-W186 HydrophobicContact CB-CH2 3.8Å; H71-W186 HydrophobicContact CB-CZ3 4.14Å; H71-W186 VanDerWaalsContact N-CZ3 3.3Å; H71-W186 VanDerWaalsContact O-CZ3 3.24Å; H71-W186 WeakPolarHBondContact O-CZ3 3.43Å; S168-W186 VanDerWaalsContact O-CH2 3.29Å; S168-W186 WeakPolarHBondContact O-CH2 3.37Å; L170-W186 HydrophobicContact CB-CE3 4.21Å; L170-W186 HydrophobicContact CB-CZ3 4.35Å; V182-W186 WeakPolarHBondContact O-CB 3.28Å; V182-W186 PolarHBondContact O-N 3.41Å; V182-W186 VanDerWaalsContact O-N 3.12Å; E183-W186 PolarHBondContact O-N 2.85Å; W186-L188 PolarHBondContact O-N 3.2Å; W186-L188 VanDerWaalsContact O-N 3.12Å; W186-L189 HydrophobicContact CD2-CD1 3.84Å; W186-L189 HydrophobicContact CE3-CD1 4.13Å; W186-L189 HydrophobicContact CG-CD1 4.36Å; W186-L189 HydrophobicContact CH2-CD1 4.29Å; W186-L189 HydrophobicContact CZ2-CD1 4.01Å; W186-L189 HydrophobicContact CZ3-CD1 4.34Å; W186-L189 WeakPolarHBondContact O-CB 3.27Å; W186-L189 WeakPolarHBondContact O-CG 3.17Å; W186-L189 PolarHBondContact O-N 2.93Å; W186-L189 VanDerWaalsContact O-N 3.08Å; W186-L232 HydrophobicContact CE3-CD1 4.02Å; W186-L232 HydrophobicContact CZ3-CD1 4.49Å
187G97.3Very high97.7Very high32 Ų3234 Ų3433%0.3320%0.203SC..G310 helixtrans-57.7-23.117600000114.2E183 D184 I185 L189 S190E183-G187 PolarHBondContact O-N 2.77Å; D184-G187 PolarHBondContact O-N 2.77Å; I185-G187 PolarHBondContact O-N 2.74Å; G187-L189 PolarHBondContact O-N 2.95Å; G187-S190 WeakPolarHBondContact O-CB 3.47Å; G187-S190 PolarHBondContact O-N 2.9Å; G187-S190 PolarHBondContact O-OG 3.36Å
188L98.1Very high97.7Very high11 Ų1134 Ų346%0.05820%0.203CC..G310 helixtrans-62.8-21.2175.8-58.6-177.9000112.8I185 W186 S190 Q191 F192 L232 F291 W295I185-L188 HydrophobicContact CG1-CD1 4.16Å; I185-L188 VanDerWaalsContact O-CB 3.25Å; I185-L188 WeakPolarHBondContact O-CB 3.13Å; I185-L188 WeakPolarHBondContact O-CG 3.37Å; I185-L188 PolarHBondContact O-N 2.74Å; W186-L188 PolarHBondContact O-N 3.2Å; W186-L188 VanDerWaalsContact O-N 3.12Å; L188-S190 PolarHBondContact O-N 2.82Å; L188-Q191 WeakPolarHBondContact O-CB 3.41Å; L188-Q191 PolarHBondContact O-N 2.86Å; L188-F192 WeakPolarHBondContact O-CD1 3.44Å; L188-L232 HydrophobicContact CB-CD2 3.8Å; L188-F291 HydrophobicContact CD1-CB 3.99Å; L188-F291 HydrophobicContact CD1-CD1 4.11Å; L188-F291 HydrophobicContact CD1-CG 4.37Å; L188-W295 HydrophobicContact CD1-CZ2 4.47Å
189L97.6Very high97.7Very high33 Ų3333.9 Ų33.917%0.17320%0.203CC..G310 helixtrans-55-34.5171.6-76.2164.2000112.1W186 G187 Q191 F192 L232W186-L189 HydrophobicContact CD2-CD1 3.84Å; W186-L189 HydrophobicContact CE3-CD1 4.13Å; W186-L189 HydrophobicContact CG-CD1 4.36Å; W186-L189 HydrophobicContact CH2-CD1 4.29Å; W186-L189 HydrophobicContact CZ2-CD1 4.01Å; W186-L189 HydrophobicContact CZ3-CD1 4.34Å; W186-L189 WeakPolarHBondContact O-CB 3.27Å; W186-L189 WeakPolarHBondContact O-CG 3.17Å; W186-L189 PolarHBondContact O-N 2.93Å; W186-L189 VanDerWaalsContact O-N 3.08Å; G187-L189 PolarHBondContact O-N 2.95Å; L189-Q191 PolarHBondContact O-N 3.49Å; L189-F192 HydrophobicContact CD2-CD2 4.42Å; L189-F192 HydrophobicContact CD2-CE2 4Å; L189-F192 HydrophobicContact CD2-CZ 4.24Å; L189-F192 WeakPolarHBondContact O-CB 3.45Å; L189-F192 PolarHBondContact O-N 2.82Å; L189-L232 HydrophobicContact CD1-CD1 4.12Å; L189-L232 HydrophobicContact CD2-CD1 4.32Å; L189-L232 HydrophobicContact CD2-CD2 4.26Å; L189-L232 HydrophobicContact CD2-CG 3.96Å; L189-L232 HydrophobicContact CG-CD1 3.97Å; L189-L232 HydrophobicContact CG-CD2 3.84Å; L189-L232 HydrophobicContact CG-CG 3.89Å
190S96.9Very high97.7Very high105 Ų10533.9 Ų33.973%0.73420%0.203SC*.G310 helixtrans-70.4-17.8178.7700000113.4G187 L188G187-S190 WeakPolarHBondContact O-CB 3.47Å; G187-S190 PolarHBondContact O-N 2.9Å; G187-S190 PolarHBondContact O-OG 3.36Å; L188-S190 PolarHBondContact O-N 2.82Å
191Q97.9Very high97.8Very high105 Ų10532 Ų3249%0.49120%0.196SC..G310 helixtrans-89.7-7178.2-54.4-174.921.900112.5L188 L189 N193 Y289L188-Q191 WeakPolarHBondContact O-CB 3.41Å; L188-Q191 PolarHBondContact O-N 2.86Å; L189-Q191 PolarHBondContact O-N 3.49Å; Q191-N193 PolarHBondContact O-N 2.98Å; Q191-Y289 HydrophobicContact CB-CE2 4.08Å; Q191-Y289 PolarHBondContact OE1-OH 2.91Å
192F98.4Very high97.9Very high19 Ų1933 Ų338%0.08320%0.202CC..  trans-65.2127.7178.3-75.817.5000109.8L188 L189 Q196 A199 L232 N234 Y289L188-F192 WeakPolarHBondContact O-CD1 3.44Å; L189-F192 HydrophobicContact CD2-CD2 4.42Å; L189-F192 HydrophobicContact CD2-CE2 4Å; L189-F192 HydrophobicContact CD2-CZ 4.24Å; L189-F192 WeakPolarHBondContact O-CB 3.45Å; L189-F192 PolarHBondContact O-N 2.82Å; F192-Q196 HydrophobicContact CB-CB 3.92Å; F192-Q196 HydrophobicContact CD2-CB 4.09Å; F192-Q196 WeakPolarHBondContact CD2-O 3.41Å; F192-Q196 HydrophobicContact CG-CB 3.93Å; F192-A199 HydrophobicContact CE1-CB 3.69Å; F192-A199 HydrophobicContact CZ-CB 3.63Å; F192-L232 HydrophobicContact CE1-CD2 4.4Å; F192-L232 HydrophobicContact CZ-CD2 4.29Å; F192-L232 HydrophobicContact CZ-CG 4.43Å; F192-N234 HydrophobicContact CD2-CB 4.48Å; F192-N234 HydrophobicContact CE2-CB 4.42Å; F192-Y289 HydrophobicContact CD1-CD2 4.38Å; F192-Y289 HydrophobicContact CD1-CG 4.15Å; F192-Y289 HydrophobicContact CE1-CD1 4.36Å; F192-Y289 HydrophobicContact CE1-CG 4.05Å
193N98.1Very high97.9Very high79 Ų7933.3 Ų33.342%0.42220%0.204SC..  trans-6817916772.538.5000110.8Q191 S195 Q196 R237Q191-N193 PolarHBondContact O-N 2.98Å; N193-S195 PolarHBondContact O-N 2.89Å; N193-S195 WeakPolarHBondContact OD1-CA 3.47Å; N193-S195 PolarHBondContact OD1-N 2.86Å; N193-Q196 VanDerWaalsContact ND2-CD 3.33Å; N193-Q196 PolarHBondContact ND2-OE1 3.38Å; N193-Q196 PolarHBondContact O-N 2.89Å; N193-Q196 WeakPolarHBondContact OD1-CG 3.48Å; N193-Q196 PolarHBondContact OD1-N 2.82Å; N193-R237 PolarHBondContact O-NH1 3.23Å
194A97.4Very high97.9Very high92 Ų9232.9 Ų32.976%0.7620%0.201SC*.SBendtrans-61.4-26.9-176.400000114.5
195S97.8Very high97.9Very high59 Ų5933.7 Ų33.741%0.41320%0.204SC..SBendtrans-91.6-29-177.5-58.20000113.3N193 E286 N287N193-S195 PolarHBondContact O-N 2.89Å; N193-S195 WeakPolarHBondContact OD1-CA 3.47Å; N193-S195 PolarHBondContact OD1-N 2.86Å; S195-E286 WeakPolarHBondContact CB-O 3.48Å; S195-N287 PolarHBondContact O-ND2 3.25Å
196Q98.7Very high97.7Very high25 Ų2536.3 Ų36.312%0.11722%0.216CC..  trans-68.2133.2-175.4-75168.6-29.400111.6F192 N193 R237 N287 L288F192-Q196 HydrophobicContact CB-CB 3.92Å; F192-Q196 HydrophobicContact CD2-CB 4.09Å; F192-Q196 WeakPolarHBondContact CD2-O 3.41Å; F192-Q196 HydrophobicContact CG-CB 3.93Å; N193-Q196 VanDerWaalsContact ND2-CD 3.33Å; N193-Q196 PolarHBondContact ND2-OE1 3.38Å; N193-Q196 PolarHBondContact O-N 2.89Å; N193-Q196 WeakPolarHBondContact OD1-CG 3.48Å; N193-Q196 PolarHBondContact OD1-N 2.82Å; Q196-R237 WeakPolarHBondContact O-CD 3.34Å; Q196-R237 PolarHBondContact O-NH1 2.95Å; Q196-N287 WeakPolarHBondContact CA-O 3.48Å; Q196-L288 PolarHBondContact NE2-O 2.83Å; Q196-L288 VanDerWaalsContact NE2-O 3.16Å
197L98.5Very high97.5Very high2 Ų236.9 Ų36.91%0.0123%0.225CC..  trans-132.6-10.4-176.857.365.7000113.3N234 R237 I238 K241 F243 F281 N287L197-N234 PolarHBondContact O-N 2.93Å; L197-R237 HydrophobicContact CB-CB 3.7Å; L197-I238 HydrophobicContact CB-CG1 4.13Å; L197-I238 HydrophobicContact CD1-CD1 4.3Å; L197-I238 HydrophobicContact CD1-CG1 3.67Å; L197-I238 HydrophobicContact CD2-CG1 4.23Å; L197-I238 HydrophobicContact CG-CG1 4.2Å; L197-K241 HydrophobicContact CD2-CB 3.89Å; L197-K241 HydrophobicContact CD2-CG 3.86Å; L197-F243 HydrophobicContact CD2-CE1 3.99Å; L197-F243 HydrophobicContact CD2-CZ 3.77Å; L197-F281 HydrophobicContact CD1-CE1 3.74Å; L197-F281 HydrophobicContact CD1-CZ 4Å; L197-N287 HydrophobicContact CD1-CB 4.25Å; L197-N287 HydrophobicContact CD2-CB 4.11Å; L197-N287 WeakPolarHBondContact CD2-ND2 3.37Å; L197-N287 HydrophobicContact CG-CB 3.88Å; L197-N287 PolarHBondContact N-O 2.87Å
198A98.7Very high97.3Very high0 Ų044.7 Ų44.70%024%0.244CC..EExtended strand (participates in β ladder)trans-145.2160.5173.600000110.1M231 L232 F281 N287 L288 Y289A198-M231 HydrophobicContact CB-CE 3.67Å; A198-L232 CarbonylContact C-O 3.55Å; A198-L232 WeakPolarHBondContact CA-O 3.42Å; A198-F281 HydrophobicContact CB-CE1 4.37Å; A198-F281 HydrophobicContact CB-CZ 3.75Å; A198-N287 PolarHBondContact N-O 3.23Å; A198-L288 HydrophobicContact CB-CD1 3.87Å; A198-L288 WeakPolarHBondContact O-CD1 3.23Å; A198-Y289 PolarHBondContact O-N 3.49Å
199A98.8Very high97Very high0 Ų047.2 Ų47.20%026%0.257CS..EExtended strand (participates in β ladder)trans-136.7140.6168.400000112.8F192 M231 L232 Y289 F291F192-A199 HydrophobicContact CE1-CB 3.69Å; F192-A199 HydrophobicContact CZ-CB 3.63Å; A199-M231 WeakPolarHBondContact O-CA 3.25Å; A199-L232 HydrophobicContact CB-CB 4.18Å; A199-L232 PolarHBondContact N-O 3.22Å; A199-L232 PolarHBondContact O-N 3.09Å; A199-Y289 WeakPolarHBondContact CA-O 3.04Å; A199-Y289 HydrophobicContact CB-CD1 3.77Å; A199-Y289 HydrophobicContact CB-CG 4.3Å; A199-Y289 VanDerWaalsContact CB-O 3.23Å; A199-Y289 WeakPolarHBondContact CB-O 3.36Å; A199-F291 VanDerWaalsContact C-CE1 3.44Å; A199-F291 HydrophobicContact CB-CD1 3.65Å; A199-F291 HydrophobicContact CB-CE1 3.9Å; A199-F291 WeakPolarHBondContact O-CE1 3.32Å
200M98.8Very high96.8Very high0 Ų045.6 Ų45.60%025%0.249CC..EExtended strand (participates in β ladder)trans-148.6162.5179.5-74-178.3-86.200110.1V226 M231 L277 F281 L288 Y289 V290 F291M200-V226 HydrophobicContact CB-CB 4.06Å; M200-V226 HydrophobicContact CB-CG2 4.45Å; M200-V226 HydrophobicContact CE-CG2 3.82Å; M200-V226 HydrophobicContact SD-CB 4.45Å; M200-V226 HydrophobicContact SD-CG2 3.95Å; M200-M231 HydrophobicContact CE-CE 4.12Å; M200-M231 HydrophobicContact CE-CG 4.46Å; M200-M231 HydrophobicContact CE-SD 4.28Å; M200-M231 HydrophobicContact CG-CB 3.96Å; M200-M231 HydrophobicContact CG-CG 3.8Å; M200-M231 HydrophobicContact SD-CB 4.37Å; M200-M231 HydrophobicContact SD-CG 4.05Å; M200-M231 HydrophobicContact SD-SD 4.13Å; M200-L277 HydrophobicContact SD-CD1 4.49Å; M200-F281 HydrophobicContact CE-CD2 3.65Å; M200-F281 HydrophobicContact CE-CE2 3.31Å; M200-F281 HydrophobicContact CE-CZ 4.28Å; M200-L288 HydrophobicContact CE-CD1 3.67Å; M200-L288 HydrophobicContact CE-CD2 4.38Å; M200-Y289 PolarHBondContact N-O 3.35Å; M200-V290 WeakPolarHBondContact O-CA 3.44Å; M200-F291 VanDerWaalsContact CA-CE1 3.49Å; M200-F291 VanDerWaalsContact CA-CZ 3.47Å; M200-F291 PolarHBondContact O-N 3.46Å; M200-F291 VanDerWaalsContact O-N 3.12Å
201A98.6Very high96.8Very high0 Ų042.9 Ų42.90%022%0.222CC..EExtended strand (participates in β ladder)trans-85.8156.7169.800000111.1V226 N227 F291 N296A201-V226 VanDerWaalsContact O-CA 3.28Å; A201-V226 WeakPolarHBondContact O-CA 3.43Å; A201-V226 WeakPolarHBondContact O-CB 3.36Å; A201-N227 PolarHBondContact O-N 3.26Å; A201-F291 HydrophobicContact CB-CD2 3.73Å; A201-F291 HydrophobicContact CB-CE2 3.45Å; A201-F291 VanDerWaalsContact CB-CE2 3.45Å; A201-F291 HydrophobicContact CB-CZ 4.49Å; A201-N296 HydrophobicContact CB-CB 3.61Å
202P98.3Very high96.8Very high24 Ų2438 Ų3816%0.15620%0.199CC..EExtended strand (participates in β ladder)trans-53146.9164.3-21.633.7000111.3H204 G225 V290P202-H204 VanDerWaalsContact C-N 3.35Å; P202-G225 WeakPolarHBondContact CA-O 3.46Å; P202-V290 HydrophobicContact CG-CG1 3.83Å
203E97.6Very high96.7Very high8 Ų839.7 Ų39.74%0.03721%0.21CC..SBendtrans-71.6-35.3171175.775-154.400109.9Y212 G225 N227 W271 Q274 R298E203-Y212 HydrophobicContact CB-CD2 3.83Å; E203-Y212 HydrophobicContact CB-CE2 3.59Å; E203-Y212 HydrophobicContact CG-CD2 3.78Å; E203-Y212 HydrophobicContact CG-CE2 3.61Å; E203-G225 PolarHBondContact N-O 3.07Å; E203-N227 HydrophobicContact CB-CB 4.45Å; E203-N227 WeakPolarHBondContact OE2-CA 3.26Å; E203-N227 WeakPolarHBondContact OE2-CB 2.93Å; E203-N227 PolarHBondContact OE2-ND2 2.69Å; E203-W271 HydrophobicContact CG-CH2 3.95Å; E203-W271 HydrophobicContact CG-CZ3 4.23Å; E203-Q274 PolarHBondContact OE2-NE2 3.01Å; E203-R298 VanDerWaalsContact CD-NH2 3.27Å; E203-R298 PolarHBondContact O-NH2 3.17Å; E203-R298 IonicContact OE1-CZ 3.54Å; E203-R298 IonicContact OE1-NH1 3.62Å; E203-R298 PolarHBondContact OE1-NH1 2.89Å; E203-R298 IonicContact OE1-NH2 2.77Å; E203-R298 PolarHBondContact OE1-NH2 3.07Å; E203-R298 IonicContact OE2-CZ 2.76Å; E203-R298 IonicContact OE2-NH1 3.58Å; E203-R298 PolarHBondContact OE2-NH1 2.97Å; E203-R298 IonicContact OE2-NH2 2.81Å
204H95.8Very high96.7Very high12 Ų1243.1 Ų43.16%0.05622%0.216CC..  trans-140.3154.7172.7-62.475.2000111.3P202 G210 W211 T224P202-H204 VanDerWaalsContact C-N 3.35Å; H204-G210 VanDerWaalsContact CG-CA 3.47Å; H204-W211 PolarHBondContact CE1-N 3.13Å; H204-T224 HydrophobicContact CB-CG2 4.49Å; H204-T224 WeakPolarHBondContact O-CB 3.49Å; H204-T224 WeakPolarHBondContact O-CG2 3.24Å; H204-T224 PolarHBondContact O-OG1 3.23Å
205E96.1Very high96.7Very high61 Ų6143.8 Ų43.829%0.28520%0.202SC..SBendtrans-87.8-30.8172.2-61.1-55.7124.700112.5C293 N307E205-C293 HydrophobicContact CG-CB 4.13Å; E205-C293 WeakPolarHBondContact OE1-CB 3.34Å; E205-N307 VanDerWaalsContact CB-O 3.3Å; E205-N307 WeakPolarHBondContact CB-O 3.35Å; E205-N307 WeakPolarHBondContact CG-O 3.37Å
206E94.1Very high96.7Very high56 Ų5642.1 Ų42.126%0.26219%0.193SC..  trans-112.5108.5-177.6173.355.7-108.200112.2R208 I209 G210E206-R208 VanDerWaalsContact CD-NE 3.31Å; E206-R208 HydrophobicContact CG-CB 4.16Å; E206-R208 PolarHBondContact O-N 3.39Å; E206-R208 VanDerWaalsContact O-N 3.15Å; E206-R208 VanDerWaalsContact OE1-CB 3.27Å; E206-R208 WeakPolarHBondContact OE1-CB 3.43Å; E206-R208 VanDerWaalsContact OE1-CG 3.27Å; E206-R208 WeakPolarHBondContact OE1-CG 3.47Å; E206-R208 IonicContact OE1-CZ 2.67Å; E206-R208 PolarHBondContact OE1-N 3.48Å; E206-R208 IonicContact OE1-NE 2.69Å; E206-R208 PolarHBondContact OE1-NE 3.39Å; E206-R208 IonicContact OE1-NH2 3.87Å; E206-R208 IonicContact OE2-CZ 3.37Å; E206-R208 IonicContact OE2-NE 3.26Å; E206-R208 PolarHBondContact OE2-NE 3.4Å; E206-R208 IonicContact OE2-NH2 2.68Å; E206-R208 PolarHBondContact OE2-NH2 3.16Å; E206-I209 HydrophobicContact CB-CD1 4.21Å; E206-I209 HydrophobicContact CB-CG1 3.86Å; E206-I209 HydrophobicContact CG-CD1 4.45Å; E206-I209 HydrophobicContact CG-CG1 3.89Å; E206-I209 WeakPolarHBondContact O-CG1 3.48Å; E206-I209 PolarHBondContact O-N 3.24Å; E206-I209 VanDerWaalsContact O-N 3.17Å; E206-G210 PolarHBondContact O-N 3.12Å
207P94.7Very high96.6Very high51 Ų5150.5 Ų50.533%0.33122%0.223SC..THydrogen-bonded Turntrans-54.7-31.9179.3-28.534.8000115I209 G210 N213 T224P207-I209 PolarHBondContact O-N 2.89Å; P207-G210 PolarHBondContact O-N 3.14Å; P207-N213 WeakPolarHBondContact O-CB 3.03Å; P207-T224 HydrophobicContact CB-CG2 4.27Å; P207-T224 HydrophobicContact CG-CG2 3.75Å
208R92.9Very high96.6Very high197 Ų19751 Ų5174%0.74323%0.226SC*.THydrogen-bonded Turntrans-65.6-25.6-177.9-71175.5-77.9-179.4-2.3113.3E206E206-R208 VanDerWaalsContact CD-NE 3.31Å; E206-R208 HydrophobicContact CG-CB 4.16Å; E206-R208 PolarHBondContact O-N 3.39Å; E206-R208 VanDerWaalsContact O-N 3.15Å; E206-R208 VanDerWaalsContact OE1-CB 3.27Å; E206-R208 WeakPolarHBondContact OE1-CB 3.43Å; E206-R208 VanDerWaalsContact OE1-CG 3.27Å; E206-R208 WeakPolarHBondContact OE1-CG 3.47Å; E206-R208 IonicContact OE1-CZ 2.67Å; E206-R208 PolarHBondContact OE1-N 3.48Å; E206-R208 IonicContact OE1-NE 2.69Å; E206-R208 PolarHBondContact OE1-NE 3.39Å; E206-R208 IonicContact OE1-NH2 3.87Å; E206-R208 IonicContact OE2-CZ 3.37Å; E206-R208 IonicContact OE2-NE 3.26Å; E206-R208 PolarHBondContact OE2-NE 3.4Å; E206-R208 IonicContact OE2-NH2 2.68Å; E206-R208 PolarHBondContact OE2-NH2 3.16Å
209I90.4Very high96.6Very high63 Ų6352.4 Ų52.432%0.32323%0.234SC..THydrogen-bonded Turntrans-110-12.2177.961.2169.3000112.8E206 P207 Y304E206-I209 HydrophobicContact CB-CD1 4.21Å; E206-I209 HydrophobicContact CB-CG1 3.86Å; E206-I209 HydrophobicContact CG-CD1 4.45Å; E206-I209 HydrophobicContact CG-CG1 3.89Å; E206-I209 WeakPolarHBondContact O-CG1 3.48Å; E206-I209 PolarHBondContact O-N 3.24Å; E206-I209 VanDerWaalsContact O-N 3.17Å; P207-I209 PolarHBondContact O-N 2.89Å; I209-Y304 HydrophobicContact CD1-CD2 4.48Å
210G94.3Very high96.6Very high0 Ų055 Ų550%024%0.244CC..  trans-61.6133.1-177.900000113.9H204 E206 P207 Y212 N213 R214H204-G210 VanDerWaalsContact CG-CA 3.47Å; E206-G210 PolarHBondContact O-N 3.12Å; P207-G210 PolarHBondContact O-N 3.14Å; G210-Y212 PolarHBondContact O-N 3.25Å; G210-N213 PolarHBondContact O-N 2.86Å; G210-R214 WeakPolarHBondContact O-CG 3.05Å; G210-R214 PolarHBondContact O-N 3.14Å
211W96.1Very high96.5Very high47 Ų4756.6 Ų56.618%0.17825%0.251CS..Hα-helixtrans-64.8-39.9-179.1175.7111.3000112.4H204 N213 R214 F215 A216 T270 W271H204-W211 PolarHBondContact CE1-N 3.13Å; W211-N213 VanDerWaalsContact C-N 3.29Å; W211-N213 PolarHBondContact O-N 3.07Å; W211-R214 PolarHBondContact O-N 3.22Å; W211-R214 VanDerWaalsContact O-N 3.16Å; W211-F215 HydrophobicContact CB-CD2 4.17Å; W211-F215 AromaticContact CD1-CD2 3.49Å; W211-F215 VanDerWaalsContact CD1-CD2 3.49Å; W211-F215 HydrophobicContact CD2-CB 4.09Å; W211-F215 HydrophobicContact CD2-CD2 4.35Å; W211-F215 HydrophobicContact CG-CB 4.39Å; W211-F215 AromaticContact CG-CD2 3.76Å; W211-F215 HydrophobicContact CG-CD2 3.76Å; W211-F215 HydrophobicContact CZ2-CB 4.17Å; W211-F215 AromaticContact NE1-CD2 3.9Å; W211-F215 WeakPolarHBondContact O-CB 3.42Å; W211-F215 PolarHBondContact O-N 3.22Å; W211-A216 HydrophobicContact CE3-CB 4.42Å; W211-A216 HydrophobicContact CZ3-CB 3.83Å; W211-T270 HydrophobicContact CH2-CG2 4.36Å; W211-T270 VanDerWaalsContact CZ2-CB 3.4Å; W211-T270 HydrophobicContact CZ2-CG2 3.7Å; W211-T270 WeakPolarHBondContact CZ2-OG1 3.21Å; W211-W271 HydrophobicContact CB-CH2 3.46Å; W211-W271 VanDerWaalsContact CB-CH2 3.46Å; W211-W271 HydrophobicContact CB-CZ2 3.58Å; W211-W271 AromaticContact CD1-CZ2 3.73Å; W211-W271 HydrophobicContact CD2-CD2 4.34Å; W211-W271 AromaticContact CD2-CE2 3.7Å; W211-W271 HydrophobicContact CD2-CE3 4.28Å; W211-W271 AromaticContact CD2-CH2 3.2Å; W211-W271 HydrophobicContact CD2-CH2 3.2Å; W211-W271 AromaticContact CD2-CZ2 3.14Å; W211-W271 HydrophobicContact CD2-CZ2 3.14Å; W211-W271 AromaticContact CD2-CZ3 3.69Å; W211-W271 HydrophobicContact CD2-CZ3 3.69Å; W211-W271 AromaticContact CE2-CE2 3.87Å; W211-W271 AromaticContact CE2-CZ2 3.74Å; W211-W271 HydrophobicContact CE3-CD2 4.09Å; W211-W271 AromaticContact CE3-CE2 3.9Å; W211-W271 AromaticContact CE3-CE3 3.62Å; W211-W271 HydrophobicContact CE3-CE3 3.62Å; W211-W271 AromaticContact CE3-CH2 3.02Å; W211-W271 HydrophobicContact CE3-CH2 3.02Å; W211-W271 AromaticContact CE3-CZ2 3.45Å; W211-W271 HydrophobicContact CE3-CZ2 3.45Å; W211-W271 VanDerWaalsContact CE3-CZ2 3.45Å; W211-W271 AromaticContact CE3-CZ3 3Å; W211-W271 HydrophobicContact CE3-CZ3 3Å; W211-W271 AromaticContact CG-CH2 3.4Å; W211-W271 HydrophobicContact CG-CH2 3.4Å; W211-W271 AromaticContact CG-CZ2 3.18Å; W211-W271 HydrophobicContact CG-CZ2 3.18Å; W211-W271 HydrophobicContact CG-CZ3 4.34Å; W211-W271 HydrophobicContact CH2-CD2 4.28Å; W211-W271 HydrophobicContact CH2-CE3 4.21Å; W211-W271 HydrophobicContact CH2-CZ3 4.39Å; W211-W271 HydrophobicContact CZ3-CD2 4.02Å; W211-W271 AromaticContact CZ3-CE3 3.54Å; W211-W271 HydrophobicContact CZ3-CE3 3.54Å; W211-W271 AromaticContact CZ3-CH2 3.88Å; W211-W271 HydrophobicContact CZ3-CH2 3.88Å; W211-W271 HydrophobicContact CZ3-CZ2 4.22Å; W211-W271 AromaticContact CZ3-CZ3 3.4Å; W211-W271 HydrophobicContact CZ3-CZ3 3.4Å; W211-W271 VanDerWaalsContact CZ3-CZ3 3.4Å
212Y98.1Very high96.5Very high2 Ų259.3 Ų59.31%0.00828%0.278CS..Hα-helixtrans-59.3-42.8177.9-79.6-70.1000111.4E203 G210 R214 A216 H218 Y220 T224 G225 W271 Q274 D275 N278E203-Y212 HydrophobicContact CB-CD2 3.83Å; E203-Y212 HydrophobicContact CB-CE2 3.59Å; E203-Y212 HydrophobicContact CG-CD2 3.78Å; E203-Y212 HydrophobicContact CG-CE2 3.61Å; G210-Y212 PolarHBondContact O-N 3.25Å; Y212-R214 VanDerWaalsContact C-N 3.3Å; Y212-R214 PolarHBondContact O-N 3.45Å; Y212-A216 HydrophobicContact CD1-CB 3.89Å; Y212-A216 WeakPolarHBondContact O-CB 3.37Å; Y212-A216 PolarHBondContact O-N 2.02Å; Y212-H218 AromaticContact CE1-CE1 3.87Å; Y212-Y220 AromaticContact CD1-CD1 3.84Å; Y212-Y220 HydrophobicContact CD1-CD1 3.84Å; Y212-Y220 HydrophobicContact CD1-CD2 4.37Å; Y212-Y220 AromaticContact CD1-CG 3.67Å; Y212-Y220 HydrophobicContact CD1-CG 3.67Å; Y212-Y220 HydrophobicContact CE1-CG 4.45Å; Y212-Y220 HydrophobicContact CG-CD1 4.27Å; Y212-Y220 HydrophobicContact CG-CD2 4.2Å; Y212-Y220 AromaticContact CG-CG 3.96Å; Y212-Y220 HydrophobicContact CG-CG 3.96Å; Y212-Y220 WeakPolarHBondContact O-CE1 3.47Å; Y212-T224 WeakPolarHBondContact CD2-O 3.38Å; Y212-G225 VanDerWaalsContact CD2-CA 3.49Å; Y212-W271 HydrophobicContact CD1-CE3 4.39Å; Y212-W271 AromaticContact CD1-CZ3 3.79Å; Y212-W271 HydrophobicContact CD1-CZ3 3.79Å; Y212-W271 HydrophobicContact CD2-CH2 4.05Å; Y212-W271 AromaticContact CD2-CZ3 3.47Å; Y212-W271 HydrophobicContact CD2-CZ3 3.47Å; Y212-W271 VanDerWaalsContact CD2-CZ3 3.47Å; Y212-W271 AromaticContact CE1-CE3 3.68Å; Y212-W271 HydrophobicContact CE1-CE3 3.68Å; Y212-W271 AromaticContact CE1-CZ3 3.45Å; Y212-W271 HydrophobicContact CE1-CZ3 3.45Å; Y212-W271 VanDerWaalsContact CE1-CZ3 3.45Å; Y212-W271 AromaticContact CE2-CE3 3.94Å; Y212-W271 HydrophobicContact CE2-CE3 3.94Å; Y212-W271 HydrophobicContact CE2-CH2 4.08Å; Y212-W271 AromaticContact CE2-CZ3 3.21Å; Y212-W271 HydrophobicContact CE2-CZ3 3.21Å; Y212-W271 HydrophobicContact CG-CH2 4.46Å; Y212-W271 AromaticContact CG-CZ3 3.79Å; Y212-W271 HydrophobicContact CG-CZ3 3.79Å; Y212-W271 AromaticContact CZ-CE3 3.44Å; Y212-W271 VanDerWaalsContact CZ-CE3 3.44Å; Y212-W271 AromaticContact CZ-CZ3 3.17Å; Y212-Q274 PolarHBondContact OH-NE2 3.36Å; Y212-D275 WeakPolarHBondContact CE1-OD1 3.09Å; Y212-D275 PolarHBondContact OH-OD1 2.99Å; Y212-N278 HydrophobicContact CE1-CB 4.29Å; Y212-N278 VanDerWaalsContact OH-CG 3.22Å; Y212-N278 PolarHBondContact OH-ND2 3.06Å
213N97.8Very high96.4Very high56 Ų5666.2 Ų66.230%0.29931%0.306SS..Hα-helixtrans-64.9-33.6179.6-5986.1000113.2P207 G210 W211 K223P207-N213 WeakPolarHBondContact O-CB 3.03Å; G210-N213 PolarHBondContact O-N 2.86Å; W211-N213 VanDerWaalsContact C-N 3.29Å; W211-N213 PolarHBondContact O-N 3.07Å; N213-K223 PolarHBondContact ND2-O 3.37Å
214R96.8Very high96.4Very high150 Ų15066.5 Ų66.557%0.56631%0.308SS*.Hα-helixtrans-95.5-30.4-171.8-67.8177.465.5-175.12.6113.6G210 W211 Y212G210-R214 WeakPolarHBondContact O-CG 3.05Å; G210-R214 PolarHBondContact O-N 3.14Å; W211-R214 PolarHBondContact O-N 3.22Å; W211-R214 VanDerWaalsContact O-N 3.16Å; Y212-R214 VanDerWaalsContact C-N 3.3Å; Y212-R214 PolarHBondContact O-N 3.45Å
215F97.5Very high96.5Very high106 Ų10666 Ų6647%0.46531%0.307SS..Hα-helixtrans-133.8-19.9-162.9-53.5-63.4000114.7W211 R217W211-F215 HydrophobicContact CB-CD2 4.17Å; W211-F215 AromaticContact CD1-CD2 3.49Å; W211-F215 VanDerWaalsContact CD1-CD2 3.49Å; W211-F215 HydrophobicContact CD2-CB 4.09Å; W211-F215 HydrophobicContact CD2-CD2 4.35Å; W211-F215 HydrophobicContact CG-CB 4.39Å; W211-F215 AromaticContact CG-CD2 3.76Å; W211-F215 HydrophobicContact CG-CD2 3.76Å; W211-F215 HydrophobicContact CZ2-CB 4.17Å; W211-F215 AromaticContact NE1-CD2 3.9Å; W211-F215 WeakPolarHBondContact O-CB 3.42Å; W211-F215 PolarHBondContact O-N 3.22Å; F215-R217 PolarHBondContact O-N 2.68Å
216A97.8Very high96.7Very high25 Ų2563.2 Ų63.221%0.20729%0.294CS..  trans-63.5136.1-177.600000111.6W211 Y212 Y220W211-A216 HydrophobicContact CE3-CB 4.42Å; W211-A216 HydrophobicContact CZ3-CB 3.83Å; Y212-A216 HydrophobicContact CD1-CB 3.89Å; Y212-A216 WeakPolarHBondContact O-CB 3.37Å; Y212-A216 PolarHBondContact O-N 2.02Å; A216-Y220 HydrophobicContact CB-CD1 3.78Å; A216-Y220 HydrophobicContact CB-CE1 3.96Å
217R97.2Very high96.9Very high200 Ų20060.9 Ų60.976%0.75528%0.283SS*.  trans-114.724.3177-64.2-177.3174.8-173.4-2.1112.1F215 N268F215-R217 PolarHBondContact O-N 2.68Å; R217-N268 HydrophobicContact CB-CB 4.18Å; R217-N268 PolarHBondContact O-ND2 3.11Å
218H97.9Very high97Very high14 Ų1458.6 Ų58.67%0.06527%0.268CS..SBendtrans-145.3162.1178.958.784000108.8Y212 Y265 N268 D275 I279Y212-H218 AromaticContact CE1-CE1 3.87Å; H218-Y265 HydrophobicContact CB-CD1 3.78Å; H218-Y265 HydrophobicContact CB-CE1 3.98Å; H218-N268 PolarHBondContact CD2-O 2.97Å; H218-N268 VanDerWaalsContact CD2-O 3.31Å; H218-D275 IonicContact CE1-OD1 3.96Å; H218-D275 PolarHBondContact CE1-OD1 3.46Å; H218-D275 VanDerWaalsContact CE1-OD1 3.26Å; H218-D275 IonicContact CE1-OD2 2.77Å; H218-D275 IonicContact NE2-OD1 3.42Å; H218-D275 PolarHBondContact NE2-OD1 3.14Å; H218-D275 IonicContact NE2-OD2 3.93Å; H218-D275 PolarHBondContact NE2-OD2 3.16Å; H218-I279 HydrophobicContact CB-CD1 4.01Å; H218-I279 HydrophobicContact CB-CG1 4.26Å
219P98.2Very high97.3Very high29 Ų2949.2 Ų49.219%0.18823%0.233CC..  trans-60147.2173.4-2031.5000111.8I279 H282P219-I279 WeakPolarHBondContact O-CG1 3.3Å; P219-H282 HydrophobicContact CB-CB 3.96Å; P219-H282 WeakPolarHBondContact CB-CD2 3.45Å; P219-H282 VanDerWaalsContact CB-CG 3.47Å
220Y98.7Very high97.7Very high53 Ų5346.2 Ų46.221%0.20822%0.217CC..  trans-143158.5174.756.6-95.7000111Y212 A216 H282Y212-Y220 AromaticContact CD1-CD1 3.84Å; Y212-Y220 HydrophobicContact CD1-CD1 3.84Å; Y212-Y220 HydrophobicContact CD1-CD2 4.37Å; Y212-Y220 AromaticContact CD1-CG 3.67Å; Y212-Y220 HydrophobicContact CD1-CG 3.67Å; Y212-Y220 HydrophobicContact CE1-CG 4.45Å; Y212-Y220 HydrophobicContact CG-CD1 4.27Å; Y212-Y220 HydrophobicContact CG-CD2 4.2Å; Y212-Y220 AromaticContact CG-CG 3.96Å; Y212-Y220 HydrophobicContact CG-CG 3.96Å; Y212-Y220 WeakPolarHBondContact O-CE1 3.47Å; A216-Y220 HydrophobicContact CB-CD1 3.78Å; A216-Y220 HydrophobicContact CB-CE1 3.96Å; Y220-H282 PolarHBondContact O-ND1 3.01Å
221Y98.6Very high97.9Very high35 Ų3546.3 Ų46.314%0.13722%0.218CC..SBendtrans-72.4139.5-174178.6-88.6000111.9G225 V226 N278 F281 P285 L288 V290Y221-G225 WeakPolarHBondContact O-CA 3.15Å; Y221-G225 PolarHBondContact O-N 3.13Å; Y221-V226 HydrophobicContact CD1-CG1 3.63Å; Y221-V226 HydrophobicContact CE1-CG1 4.28Å; Y221-V226 HydrophobicContact CG-CG1 4.33Å; Y221-N278 PolarHBondContact N-O 2.84Å; Y221-N278 PolarHBondContact N-OD1 2.75Å; Y221-F281 HydrophobicContact CD2-CB 3.5Å; Y221-F281 VanDerWaalsContact CD2-CB 3.5Å; Y221-F281 WeakPolarHBondContact CD2-O 3.16Å; Y221-F281 HydrophobicContact CE2-CB 4.26Å; Y221-F281 HydrophobicContact CG-CB 4.07Å; Y221-P285 HydrophobicContact CD2-CB 4.46Å; Y221-P285 HydrophobicContact CE2-CB 3.93Å; Y221-L288 HydrophobicContact CD1-CD2 3.8Å; Y221-L288 HydrophobicContact CD2-CD2 3.98Å; Y221-L288 HydrophobicContact CE1-CD2 3.72Å; Y221-L288 HydrophobicContact CE2-CB 3.83Å; Y221-L288 HydrophobicContact CE2-CD2 3.85Å; Y221-L288 HydrophobicContact CE2-CG 4.46Å; Y221-L288 HydrophobicContact CG-CD2 3.91Å; Y221-V290 HydrophobicContact CE1-CG2 3.49Å; Y221-V290 VanDerWaalsContact CE1-CG2 3.49Å
222G97.4Very high98Very high56 Ų5644 Ų4458%0.57721%0.209SC*.THydrogen-bonded Turntrans59.7-145.9170.800000113.5
223K96.8Very high98Very high169 Ų16944 Ų4474%0.73521%0.209SC*.THydrogen-bonded Turntrans-87.8-31.9-175-67.4-176.8-178.9176.80113.6N213N213-K223 PolarHBondContact ND2-O 3.37Å
224T97.5Very high98.1Very high14 Ų1442.8 Ų42.89%0.08620%0.203CC..THydrogen-bonded Turntrans-132.810.5-167.749.80000112.6H204 P207 Y212H204-T224 HydrophobicContact CB-CG2 4.49Å; H204-T224 WeakPolarHBondContact O-CB 3.49Å; H204-T224 WeakPolarHBondContact O-CG2 3.24Å; H204-T224 PolarHBondContact O-OG1 3.23Å; P207-T224 HydrophobicContact CB-CG2 4.27Å; P207-T224 HydrophobicContact CG-CG2 3.75Å; Y212-T224 WeakPolarHBondContact CD2-O 3.38Å
225G98.4Very high98.2Very high2 Ų235.6 Ų35.62%0.02118%0.176CC..  trans66.1178.5-169.900000112.7P202 E203 Y212 Y221 N278P202-G225 WeakPolarHBondContact CA-O 3.46Å; E203-G225 PolarHBondContact N-O 3.07Å; Y212-G225 VanDerWaalsContact CD2-CA 3.49Å; Y221-G225 WeakPolarHBondContact O-CA 3.15Å; Y221-G225 PolarHBondContact O-N 3.13Å; G225-N278 WeakPolarHBondContact CA-OD1 3.46Å
226V98.7Very high98.2Very high2 Ų232.2 Ų32.21%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-122.5149.6177.2-65.40000111.8M200 A201 Y221 N278 L288M200-V226 HydrophobicContact CB-CB 4.06Å; M200-V226 HydrophobicContact CB-CG2 4.45Å; M200-V226 HydrophobicContact CE-CG2 3.82Å; M200-V226 HydrophobicContact SD-CB 4.45Å; M200-V226 HydrophobicContact SD-CG2 3.95Å; A201-V226 VanDerWaalsContact O-CA 3.28Å; A201-V226 WeakPolarHBondContact O-CA 3.43Å; A201-V226 WeakPolarHBondContact O-CB 3.36Å; Y221-V226 HydrophobicContact CD1-CG1 3.63Å; Y221-V226 HydrophobicContact CE1-CG1 4.28Å; Y221-V226 HydrophobicContact CG-CG1 4.33Å; V226-N278 WeakPolarHBondContact CG2-ND2 3.48Å; V226-N278 PolarHBondContact N-OD1 2.95Å; V226-N278 PolarHBondContact O-ND2 3.29Å; V226-L288 HydrophobicContact CG1-CD2 3.85Å; V226-L288 HydrophobicContact CG2-CD2 4.3Å
227N98.7Very high98.2Very high7 Ų734.9 Ų34.94%0.03717%0.168CC..EExtended strand (participates in β ladder)trans-95.7131.4174.9-174.8-93.1000110.4A201 E203 G229 Q274 N296 R298 H320A201-N227 PolarHBondContact O-N 3.26Å; E203-N227 HydrophobicContact CB-CB 4.45Å; E203-N227 WeakPolarHBondContact OE2-CA 3.26Å; E203-N227 WeakPolarHBondContact OE2-CB 2.93Å; E203-N227 PolarHBondContact OE2-ND2 2.69Å; N227-G229 PolarHBondContact OD1-N 2.54Å; N227-Q274 PolarHBondContact ND2-OE1 3.24Å; N227-N296 WeakPolarHBondContact CB-ND2 3.47Å; N227-N296 PolarHBondContact OD1-ND2 2.88Å; N227-R298 PolarHBondContact ND2-NH1 2.95Å; N227-H320 PolarHBondContact OD1-CE1 2.9Å
228S97.6Very high98.3Very high3 Ų325.4 Ų25.42%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-92.60.3-174.162.60000114.7R156 V230 Q274R156-S228 PolarHBondContact NH1-O 3.29Å; R156-S228 PolarHBondContact NH1-OG 3.14Å; R156-S228 VanDerWaalsContact NH1-OG 3.16Å; S228-V230 PolarHBondContact O-N 3.23Å; S228-Q274 WeakPolarHBondContact OG-CB 3.13Å; S228-Q274 WeakPolarHBondContact OG-CG 3.46Å; S228-Q274 PolarHBondContact OG-OE1 3.34Å
229G98Very high98.3Very high0 Ų027.3 Ų27.30%014%0.139CC..EExtended strand (participates in β ladder)trans-70.2-16.4-176.900000114.6V172 D173 N227V172-G229 CarbonylContact C-O 3.54Å; V172-G229 VanDerWaalsContact CA-O 3.27Å; V172-G229 WeakPolarHBondContact CA-O 3.28Å; D173-G229 PolarHBondContact N-O 3.06Å; D173-G229 WeakPolarHBondContact OD2-CA 3.4Å; N227-G229 PolarHBondContact OD1-N 2.54Å
230V98.8Very high98.2Very high0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-133.4112.5166.3-175.90000107L170 V172 I176 I185 S228 F291 N296 I318L170-V230 HydrophobicContact CD1-CG1 4.04Å; V172-V230 HydrophobicContact CG1-CG1 4.41Å; I176-V230 HydrophobicContact CD1-CG2 3.61Å; I176-V230 HydrophobicContact CG1-CG2 4.17Å; I185-V230 HydrophobicContact CD1-CG1 3.5Å; I185-V230 VanDerWaalsContact CD1-CG1 3.5Å; S228-V230 PolarHBondContact O-N 3.23Å; V230-F291 HydrophobicContact CB-CZ 4.18Å; V230-F291 HydrophobicContact CG1-CZ 3.92Å; V230-N296 HydrophobicContact CB-CB 4.34Å; V230-N296 HydrophobicContact CG2-CB 4.13Å; V230-I318 HydrophobicContact CG1-CD1 4.09Å; V230-I318 HydrophobicContact CG2-CG2 4.01Å
231M98.8Very high98.2Very high2 Ų232.5 Ų32.51%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-134.4111.7-176.3-174.7179.3178.600110.3Y171 A198 A199 M200 M233 L277 F281Y171-M231 HydrophobicContact CD1-CB 4.45Å; Y171-M231 PolarHBondContact N-O 2.96Å; Y171-M231 PolarHBondContact O-N 3.16Å; A198-M231 HydrophobicContact CB-CE 3.67Å; A199-M231 WeakPolarHBondContact O-CA 3.25Å; M200-M231 HydrophobicContact CE-CE 4.12Å; M200-M231 HydrophobicContact CE-CG 4.46Å; M200-M231 HydrophobicContact CE-SD 4.28Å; M200-M231 HydrophobicContact CG-CB 3.96Å; M200-M231 HydrophobicContact CG-CG 3.8Å; M200-M231 HydrophobicContact SD-CB 4.37Å; M200-M231 HydrophobicContact SD-CG 4.05Å; M200-M231 HydrophobicContact SD-SD 4.13Å; M231-M233 HydrophobicContact CE-CE 3.87Å; M231-M233 HydrophobicContact CE-CG 4Å; M231-M233 HydrophobicContact CE-SD 4.24Å; M231-M233 HydrophobicContact CG-CG 3.74Å; M231-M233 HydrophobicContact CG-SD 4.25Å; M231-M233 HydrophobicContact SD-CE 4.28Å; M231-M233 HydrophobicContact SD-CG 4.16Å; M231-M233 HydrophobicContact SD-SD 4.06Å; M231-L277 HydrophobicContact CE-CD2 4.05Å; M231-L277 HydrophobicContact SD-CD1 3.95Å; M231-L277 HydrophobicContact SD-CD2 4.38Å; M231-F281 HydrophobicContact CE-CE2 4.26Å; M231-F281 HydrophobicContact CE-CZ 4.32Å
232L98.8Very high98.2Very high0 Ų035.4 Ų35.40%018%0.175CC..EExtended strand (participates in β ladder)trans-88132172.3-172.964.7000108.8L169 L170 I185 W186 L188 L189 F192 A198 A199L169-L232 CarbonylContact O-C 3.6Å; L170-L232 HydrophobicContact CB-CD1 4.04Å; L170-L232 HydrophobicContact CD1-CB 4.31Å; L170-L232 HydrophobicContact CD1-CD1 4.24Å; I185-L232 VanDerWaalsContact O-CD2 3.23Å; I185-L232 WeakPolarHBondContact O-CD2 3.45Å; W186-L232 HydrophobicContact CE3-CD1 4.02Å; W186-L232 HydrophobicContact CZ3-CD1 4.49Å; L188-L232 HydrophobicContact CB-CD2 3.8Å; L189-L232 HydrophobicContact CD1-CD1 4.12Å; L189-L232 HydrophobicContact CD2-CD1 4.32Å; L189-L232 HydrophobicContact CD2-CD2 4.26Å; L189-L232 HydrophobicContact CD2-CG 3.96Å; L189-L232 HydrophobicContact CG-CD1 3.97Å; L189-L232 HydrophobicContact CG-CD2 3.84Å; L189-L232 HydrophobicContact CG-CG 3.89Å; F192-L232 HydrophobicContact CE1-CD2 4.4Å; F192-L232 HydrophobicContact CZ-CD2 4.29Å; F192-L232 HydrophobicContact CZ-CG 4.43Å; A198-L232 CarbonylContact C-O 3.55Å; A198-L232 WeakPolarHBondContact CA-O 3.42Å; A199-L232 HydrophobicContact CB-CB 4.18Å; A199-L232 PolarHBondContact N-O 3.22Å; A199-L232 PolarHBondContact O-N 3.09Å
233M98.8Very high98.2Very high1 Ų132.7 Ų32.71%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-132.3128.4-166.8-54.9177.973.500110.1P160 S168 L169 M231 M235 I238P160-M233 HydrophobicContact CG-CE 3.75Å; S168-M233 CarbonylContact C-O 3.36Å; S168-M233 WeakPolarHBondContact CA-O 3.24Å; S168-M233 WeakPolarHBondContact CB-O 3.33Å; L169-M233 HydrophobicContact CB-CB 4.43Å; L169-M233 PolarHBondContact N-O 3.1Å; L169-M233 WeakPolarHBondContact O-CB 3.26Å; L169-M233 PolarHBondContact O-N 3.27Å; M231-M233 HydrophobicContact CE-CE 3.87Å; M231-M233 HydrophobicContact CE-CG 4Å; M231-M233 HydrophobicContact CE-SD 4.24Å; M231-M233 HydrophobicContact CG-CG 3.74Å; M231-M233 HydrophobicContact CG-SD 4.25Å; M231-M233 HydrophobicContact SD-CE 4.28Å; M231-M233 HydrophobicContact SD-CG 4.16Å; M231-M233 HydrophobicContact SD-SD 4.06Å; M233-M235 HydrophobicContact CB-CG 4.34Å; M233-M235 HydrophobicContact CB-SD 3.62Å; M233-M235 HydrophobicContact CE-SD 3.84Å; M233-M235 HydrophobicContact CG-SD 4.41Å; M233-M235 PolarHBondContact O-N 3.38Å; M233-M235 HydrophobicContact SD-SD 4.02Å; M233-I238 HydrophobicContact CB-CD1 3.99Å; M233-I238 HydrophobicContact CE-CD1 3.57Å; M233-I238 HydrophobicContact CG-CD1 4.43Å
234N98.7Very high98.2Very high30 Ų3029.9 Ų29.916%0.1614%0.136CC..EExtended strand (participates in β ladder)trans-89.295.6160-172-51.6000107.8F192 L197 T236 R237 I238F192-N234 HydrophobicContact CD2-CB 4.48Å; F192-N234 HydrophobicContact CE2-CB 4.42Å; L197-N234 PolarHBondContact O-N 2.93Å; N234-T236 VanDerWaalsContact C-N 3.31Å; N234-T236 PolarHBondContact O-N 2.93Å; N234-T236 PolarHBondContact OD1-N 3.34Å; N234-R237 HydrophobicContact CB-CB 4.22Å; N234-R237 HydrophobicContact CB-CG 4.41Å; N234-R237 PolarHBondContact O-N 3.26Å; N234-R237 WeakPolarHBondContact OD1-CB 3.2Å; N234-R237 WeakPolarHBondContact OD1-CG 3.41Å; N234-R237 PolarHBondContact OD1-N 3.14Å; N234-I238 WeakPolarHBondContact O-CG1 3.48Å; N234-I238 PolarHBondContact O-N 3.35Å
235M98.4Very high98.1Very high0 Ų030 Ų300%014%0.137CC..Hα-helixtrans-66.1-35.6-171-59-66.3-88.500111.7L159 P160 V166 D167 L169 M233 I238 R239L159-M235 VanDerWaalsContact C-CE 3.42Å; L159-M235 HydrophobicContact CB-CE 3.95Å; P160-M235 VanDerWaalsContact CA-CE 3.4Å; P160-M235 HydrophobicContact CB-CE 4.1Å; P160-M235 HydrophobicContact CB-SD 4.43Å; P160-M235 HydrophobicContact CG-CE 3.89Å; P160-M235 HydrophobicContact CG-SD 3.99Å; P160-M235 VanDerWaalsContact N-CE 3.34Å; V166-M235 VanDerWaalsContact O-CB 3.23Å; V166-M235 WeakPolarHBondContact O-CB 3.46Å; D167-M235 PolarHBondContact O-N 2.77Å; L169-M235 HydrophobicContact CB-CE 4.21Å; L169-M235 HydrophobicContact CB-CG 3.75Å; L169-M235 HydrophobicContact CB-SD 3.85Å; L169-M235 HydrophobicContact CD2-CE 3.7Å; L169-M235 HydrophobicContact CD2-SD 4.21Å; M233-M235 HydrophobicContact CB-CG 4.34Å; M233-M235 HydrophobicContact CB-SD 3.62Å; M233-M235 HydrophobicContact CE-SD 3.84Å; M233-M235 HydrophobicContact CG-SD 4.41Å; M233-M235 PolarHBondContact O-N 3.38Å; M233-M235 HydrophobicContact SD-SD 4.02Å; M235-I238 PolarHBondContact O-N 3.48Å; M235-R239 WeakPolarHBondContact O-CG 3.32Å; M235-R239 PolarHBondContact O-N 2.9Å
236T98.2Very high97.8Very high34 Ų3433.3 Ų33.321%0.20915%0.154CC..Hα-helixtrans-64.4-48.4176.9-63.20000110.9D167 N234 I238 R239 E240D167-T236 PolarHBondContact O-N 2.92Å; D167-T236 PolarHBondContact OD1-OG1 3.02Å; N234-T236 VanDerWaalsContact C-N 3.31Å; N234-T236 PolarHBondContact O-N 2.93Å; N234-T236 PolarHBondContact OD1-N 3.34Å; T236-I238 VanDerWaalsContact C-N 3.33Å; T236-I238 PolarHBondContact O-N 2.84Å; T236-R239 PolarHBondContact O-N 2.69Å; T236-R239 PolarHBondContact OG1-NH2 2.61Å; T236-E240 WeakPolarHBondContact O-CG 3.36Å; T236-E240 PolarHBondContact O-N 3.49Å; T236-E240 VanDerWaalsContact O-N 3.09Å
237R98.4Very high97.5Very high82 Ų8236 Ų3631%0.30917%0.168SC..Hα-helixtrans-63.5-37.3175.7-70-180-177.6-175.5-1.6112.7N193 Q196 L197 N234 E240 K241N193-R237 PolarHBondContact O-NH1 3.23Å; Q196-R237 WeakPolarHBondContact O-CD 3.34Å; Q196-R237 PolarHBondContact O-NH1 2.95Å; L197-R237 HydrophobicContact CB-CB 3.7Å; N234-R237 HydrophobicContact CB-CB 4.22Å; N234-R237 HydrophobicContact CB-CG 4.41Å; N234-R237 PolarHBondContact O-N 3.26Å; N234-R237 WeakPolarHBondContact OD1-CB 3.2Å; N234-R237 WeakPolarHBondContact OD1-CG 3.41Å; N234-R237 PolarHBondContact OD1-N 3.14Å; R237-E240 PolarHBondContact O-N 2.68Å; R237-K241 WeakPolarHBondContact O-CB 3.24Å; R237-K241 PolarHBondContact O-N 3.3Å
238I98.5Very high97Very high0 Ų038.7 Ų38.70%018%0.184CC..Hα-helixtrans-60.9-45.2175.5-71.3167.7000111.1P160 L197 M233 N234 M235 T236 E240 W254P160-I238 HydrophobicContact CB-CG2 3.81Å; P160-I238 HydrophobicContact CG-CD1 4.5Å; P160-I238 HydrophobicContact CG-CG2 3.81Å; L197-I238 HydrophobicContact CB-CG1 4.13Å; L197-I238 HydrophobicContact CD1-CD1 4.3Å; L197-I238 HydrophobicContact CD1-CG1 3.67Å; L197-I238 HydrophobicContact CD2-CG1 4.23Å; L197-I238 HydrophobicContact CG-CG1 4.2Å; M233-I238 HydrophobicContact CB-CD1 3.99Å; M233-I238 HydrophobicContact CE-CD1 3.57Å; M233-I238 HydrophobicContact CG-CD1 4.43Å; N234-I238 WeakPolarHBondContact O-CG1 3.48Å; N234-I238 PolarHBondContact O-N 3.35Å; M235-I238 PolarHBondContact O-N 3.48Å; T236-I238 VanDerWaalsContact C-N 3.33Å; T236-I238 PolarHBondContact O-N 2.84Å; I238-E240 VanDerWaalsContact C-N 3.34Å; I238-E240 PolarHBondContact O-N 2.75Å; I238-W254 HydrophobicContact CG2-CB 3.96Å; I238-W254 HydrophobicContact CG2-CD2 3.54Å; I238-W254 HydrophobicContact CG2-CE3 3.77Å; I238-W254 HydrophobicContact CG2-CG 3.63Å; I238-W254 HydrophobicContact CG2-CZ3 4.41Å
239R98.1Very high96.7Very high54 Ų5443.8 Ų43.820%0.20423%0.226CC..Hα-helixtrans-64.4-36.7178.8-73.3-177.2-70.1-99.23.6112.9P160 L163 K164 V166 M235 T236P160-R239 HydrophobicContact CB-CG 4.39Å; P160-R239 WeakPolarHBondContact O-CD 3.46Å; P160-R239 WeakPolarHBondContact O-CG 3.29Å; P160-R239 PolarHBondContact O-NH1 2.96Å; L163-R239 PolarHBondContact O-NH1 3Å; L163-R239 VanDerWaalsContact O-NH1 3.1Å; K164-R239 PolarHBondContact O-NH2 3.17Å; V166-R239 PolarHBondContact O-NH1 3.04Å; V166-R239 PolarHBondContact O-NH2 2.76Å; M235-R239 WeakPolarHBondContact O-CG 3.32Å; M235-R239 PolarHBondContact O-N 2.9Å; T236-R239 PolarHBondContact O-N 2.69Å; T236-R239 PolarHBondContact OG1-NH2 2.61Å
240E97.4Very high96.5Very high136 Ų13648.3 Ų48.364%0.63625%0.254SS*.Hα-helixtrans-84.8-18.9-176.6-68.4173.3173.500113.7T236 R237 I238T236-E240 WeakPolarHBondContact O-CG 3.36Å; T236-E240 PolarHBondContact O-N 3.49Å; T236-E240 VanDerWaalsContact O-N 3.09Å; R237-E240 PolarHBondContact O-N 2.68Å; I238-E240 VanDerWaalsContact C-N 3.34Å; I238-E240 PolarHBondContact O-N 2.75Å
241K97.9Very high96.3Very high55 Ų5551.2 Ų51.224%0.23927%0.271CS..PPolyproline II helixtrans-77.5135.8-174.3179.462.3172.4137.20111.8L197 R237 F243 N287L197-K241 HydrophobicContact CD2-CB 3.89Å; L197-K241 HydrophobicContact CD2-CG 3.86Å; R237-K241 WeakPolarHBondContact O-CB 3.24Å; R237-K241 PolarHBondContact O-N 3.3Å; K241-F243 HydrophobicContact CB-CD2 4.4Å; K241-F243 HydrophobicContact CB-CE2 3.69Å; K241-F243 HydrophobicContact CB-CZ 3.76Å; K241-F243 HydrophobicContact CG-CD1 4.17Å; K241-F243 HydrophobicContact CG-CD2 4.05Å; K241-F243 HydrophobicContact CG-CE1 3.83Å; K241-F243 HydrophobicContact CG-CE2 3.67Å; K241-F243 HydrophobicContact CG-CG 4.27Å; K241-F243 HydrophobicContact CG-CZ 3.56Å; K241-F243 WeakPolarHBondContact O-CD2 3.37Å; K241-F243 WeakPolarHBondContact O-CE2 3.15Å; K241-N287 WeakPolarHBondContact CE-ND2 3.42Å; K241-N287 VanDerWaalsContact CE-OD1 3.31Å; K241-N287 WeakPolarHBondContact CE-OD1 3.21Å
242F97.8Very high96.2Very high96 Ų9652.7 Ų52.742%0.42128%0.279SS..EExtended strand (participates in β ladder)trans-96.2123.5162.6-66.6-95000110.1Q253F242-Q253 HydrophobicContact CD1-CG 3.81Å; F242-Q253 HydrophobicContact CE1-CG 3.5Å; F242-Q253 HydrophobicContact CG-CG 4.47Å; F242-Q253 HydrophobicContact CZ-CG 3.92Å
243F97.9Very high96.2Very high0 Ų056.3 Ų56.30%030%0.296CS..EExtended strand (participates in β ladder)trans-99.2139-173.2-65-92.1000111.5L197 K241 T251 L252 W254 I257 I280 N284L197-F243 HydrophobicContact CD2-CE1 3.99Å; L197-F243 HydrophobicContact CD2-CZ 3.77Å; K241-F243 HydrophobicContact CB-CD2 4.4Å; K241-F243 HydrophobicContact CB-CE2 3.69Å; K241-F243 HydrophobicContact CB-CZ 3.76Å; K241-F243 HydrophobicContact CG-CD1 4.17Å; K241-F243 HydrophobicContact CG-CD2 4.05Å; K241-F243 HydrophobicContact CG-CE1 3.83Å; K241-F243 HydrophobicContact CG-CE2 3.67Å; K241-F243 HydrophobicContact CG-CG 4.27Å; K241-F243 HydrophobicContact CG-CZ 3.56Å; K241-F243 WeakPolarHBondContact O-CD2 3.37Å; K241-F243 WeakPolarHBondContact O-CE2 3.15Å; F243-T251 CarbonylContact O-C 3.6Å; F243-T251 VanDerWaalsContact O-CA 3.23Å; F243-T251 WeakPolarHBondContact O-CA 3.31Å; F243-T251 WeakPolarHBondContact O-CB 3.41Å; F243-L252 PolarHBondContact N-O 2.7Å; F243-L252 PolarHBondContact O-N 3.31Å; F243-W254 HydrophobicContact CD2-CE3 4.34Å; F243-W254 HydrophobicContact CE1-CE3 4.04Å; F243-W254 HydrophobicContact CE1-CZ3 4.08Å; F243-W254 HydrophobicContact CE2-CB 4.09Å; F243-W254 AromaticContact CE2-CE3 3.65Å; F243-W254 HydrophobicContact CE2-CE3 3.65Å; F243-W254 HydrophobicContact CE2-CZ3 4.48Å; F243-W254 AromaticContact CZ-CE3 3.47Å; F243-W254 HydrophobicContact CZ-CE3 3.47Å; F243-W254 VanDerWaalsContact CZ-CE3 3.47Å; F243-W254 AromaticContact CZ-CZ3 3.9Å; F243-W254 HydrophobicContact CZ-CZ3 3.9Å; F243-I257 HydrophobicContact CB-CD1 3.72Å; F243-I280 HydrophobicContact CD1-CG2 3.61Å; F243-I280 HydrophobicContact CE1-CG2 3.98Å; F243-I280 HydrophobicContact CG-CG2 4.37Å; F243-N284 HydrophobicContact CD1-CB 4.44Å
244K97.4Very high96.1Very high110 Ų11056.4 Ų56.448%0.47830%0.297SS..PPolyproline II helixtrans-77149.1168.7-61.7171.6-174.8163.30109.8T251 H283 N284K244-T251 HydrophobicContact CG-CG2 4.08Å; K244-H283 HydrophobicContact CB-CB 4.45Å; K244-N284 WeakPolarHBondContact CB-OD1 3.29Å; K244-N284 PolarHBondContact N-ND2 3.16Å; K244-N284 PolarHBondContact N-OD1 2.96Å; K244-N284 PolarHBondContact O-ND2 3.47Å
245S95.2Very high95.9Very high17 Ų1756.7 Ų56.712%0.11931%0.306CS..  trans-144.6169.8170.774.30000109.9M247S245-M247 VanDerWaalsContact C-N 3.33Å; S245-M247 PolarHBondContact OG-N 2.91Å
246D92.5Very high95.7Very high71 Ų7161.5 Ų61.538%0.3833%0.329SS..SBendtrans-95.216.4172.870.3-15.4000112.9K264 Y265 H283D246-K264 PolarHBondContact O-NZ 2.77Å; D246-K264 VanDerWaalsContact O-NZ 3.16Å; D246-K264 IonicContact OD1-NZ 3.78Å; D246-K264 PolarHBondContact OD1-NZ 3.05Å; D246-K264 IonicContact OD2-NZ 2.96Å; D246-K264 PolarHBondContact OD2-NZ 3.15Å; D246-Y265 PolarHBondContact OD1-OH 3.44Å; D246-Y265 PolarHBondContact OD2-OH 3.37Å; D246-H283 IonicContact OD1-NE2 3.64Å
247M91.9Very high95.7Very high59 Ų5959.9 Ų59.929%0.29132%0.319SS..SBendtrans-97.3-32.5177.7-61.5-178.5-63.700112.6S245 I257 P260 L261 K264S245-M247 VanDerWaalsContact C-N 3.33Å; S245-M247 PolarHBondContact OG-N 2.91Å; M247-I257 HydrophobicContact CE-CG1 4.22Å; M247-P260 HydrophobicContact CE-CB 3.53Å; M247-P260 HydrophobicContact SD-CB 3.64Å; M247-L261 HydrophobicContact CE-CB 4.34Å; M247-L261 HydrophobicContact CE-CD2 3.48Å; M247-L261 VanDerWaalsContact CE-CD2 3.48Å; M247-L261 HydrophobicContact CE-CG 3.58Å; M247-L261 HydrophobicContact CG-CD2 4.49Å; M247-L261 HydrophobicContact SD-CD2 3.85Å; M247-L261 HydrophobicContact SD-CG 4.25Å; M247-L261 PolarHBondContact SD-N 3.39Å; M247-L261 VanDerWaalsContact SD-N 3.43Å; M247-K264 HydrophobicContact CG-CD 3.55Å; M247-K264 HydrophobicContact SD-CB 4.15Å; M247-K264 HydrophobicContact SD-CD 4.14Å
248T88.3Confident95.5Very high62 Ų6256 Ų5638%0.3830%0.304SS..  trans-151.4152-175.5174.90000110.2V250 L252T248-V250 VanDerWaalsContact CG2-O 3.28Å; T248-V250 WeakPolarHBondContact CG2-O 3.31Å; T248-V250 PolarHBondContact O-N 2.82Å; T248-V250 PolarHBondContact OG1-N 3.42Å; T248-V250 VanDerWaalsContact OG1-N 3.16Å; T248-L252 HydrophobicContact CG2-CD1 4.22Å; T248-L252 HydrophobicContact CG2-CG 4.48Å
249A90.7Very high95.4Very high110 Ų11058.4 Ų58.491%0.90932%0.316SS*.SBendtrans-72.2-17.5172.600000112.7
250V93.8Very high95.2Very high96 Ų9658.3 Ų58.358%0.58232%0.322SS*.SBendtrans-82.6132.4177.9-178.10000109.6T248T248-V250 VanDerWaalsContact CG2-O 3.28Å; T248-V250 WeakPolarHBondContact CG2-O 3.31Å; T248-V250 PolarHBondContact O-N 2.82Å; T248-V250 PolarHBondContact OG1-N 3.42Å; T248-V250 VanDerWaalsContact OG1-N 3.16Å
251T95.3Very high95.1Very high60 Ų6051.9 Ų51.937%0.36829%0.292SS..  trans-77.2138.7173.354.70000110.8F243 K244F243-T251 CarbonylContact O-C 3.6Å; F243-T251 VanDerWaalsContact O-CA 3.23Å; F243-T251 WeakPolarHBondContact O-CA 3.31Å; F243-T251 WeakPolarHBondContact O-CB 3.41Å; K244-T251 HydrophobicContact CG-CG2 4.08Å
252L97.1Very high95Very high33 Ų3349.2 Ų49.217%0.17328%0.281CS..EExtended strand (participates in β ladder)trans-114.8148.5-174.7-65.9175.3000111F243 T248 E256 I257F243-L252 PolarHBondContact N-O 2.7Å; F243-L252 PolarHBondContact O-N 3.31Å; T248-L252 HydrophobicContact CG2-CD1 4.22Å; T248-L252 HydrophobicContact CG2-CG 4.48Å; L252-E256 HydrophobicContact CB-CB 4.09Å; L252-E256 HydrophobicContact CD2-CB 4.29Å; L252-I257 HydrophobicContact CB-CB 3.91Å; L252-I257 HydrophobicContact CB-CG1 4.4Å; L252-I257 HydrophobicContact CD1-CB 4.3Å; L252-I257 HydrophobicContact CD1-CG1 4.33Å
253Q97.4Very high94.9Very high77 Ų7748.7 Ų48.736%0.3628%0.28SS..EExtended strand (participates in β ladder)trans-70166.4170.5-63.8-172.6-14.600111.3F242 G255 E256 I257F242-Q253 HydrophobicContact CD1-CG 3.81Å; F242-Q253 HydrophobicContact CE1-CG 3.5Å; F242-Q253 HydrophobicContact CG-CG 4.47Å; F242-Q253 HydrophobicContact CZ-CG 3.92Å; Q253-G255 PolarHBondContact O-N 3.24Å; Q253-E256 HydrophobicContact CB-CG 4.24Å; Q253-E256 WeakPolarHBondContact CB-OE2 3.48Å; Q253-E256 PolarHBondContact N-OE2 3.35Å; Q253-E256 PolarHBondContact O-N 3.49Å; Q253-I257 PolarHBondContact O-N 3.41Å
254W97.3Very high94.8Very high3 Ų353.1 Ų53.11%0.01130%0.299CS..Hα-helixtrans-52.7-46.9-177.9-172.9-95.5000113.6L157 I238 F243 E256 I257 L258 L277 I280L157-W254 PolarHBondContact O-NE1 3.15Å; I238-W254 HydrophobicContact CG2-CB 3.96Å; I238-W254 HydrophobicContact CG2-CD2 3.54Å; I238-W254 HydrophobicContact CG2-CE3 3.77Å; I238-W254 HydrophobicContact CG2-CG 3.63Å; I238-W254 HydrophobicContact CG2-CZ3 4.41Å; F243-W254 HydrophobicContact CD2-CE3 4.34Å; F243-W254 HydrophobicContact CE1-CE3 4.04Å; F243-W254 HydrophobicContact CE1-CZ3 4.08Å; F243-W254 HydrophobicContact CE2-CB 4.09Å; F243-W254 AromaticContact CE2-CE3 3.65Å; F243-W254 HydrophobicContact CE2-CE3 3.65Å; F243-W254 HydrophobicContact CE2-CZ3 4.48Å; F243-W254 AromaticContact CZ-CE3 3.47Å; F243-W254 HydrophobicContact CZ-CE3 3.47Å; F243-W254 VanDerWaalsContact CZ-CE3 3.47Å; F243-W254 AromaticContact CZ-CZ3 3.9Å; F243-W254 HydrophobicContact CZ-CZ3 3.9Å; W254-E256 VanDerWaalsContact C-N 3.33Å; W254-E256 PolarHBondContact O-N 2.95Å; W254-I257 WeakPolarHBondContact O-CG2 3.5Å; W254-L258 WeakPolarHBondContact O-CG 3.39Å; W254-L277 HydrophobicContact CH2-CD2 3.55Å; W254-L277 HydrophobicContact CZ2-CD2 3.93Å; W254-I280 HydrophobicContact CH2-CD1 4.18Å; W254-I280 HydrophobicContact CZ3-CD1 4.08Å; W254-I280 HydrophobicContact CZ3-CG2 4.11Å
255G94.1Very high94.8Very high35 Ų3548.5 Ų48.536%0.36128%0.279SS..Hα-helixtrans-69.3-30.3179.300000113.8Q253Q253-G255 PolarHBondContact O-N 3.24Å
256E95.4Very high94.8Very high102 Ų10252 Ų5248%0.47729%0.292SS..Hα-helixtrans-79.4-30.3-175.2-59.5173.7145.100112.3L252 Q253 W254 P260L252-E256 HydrophobicContact CB-CB 4.09Å; L252-E256 HydrophobicContact CD2-CB 4.29Å; Q253-E256 HydrophobicContact CB-CG 4.24Å; Q253-E256 WeakPolarHBondContact CB-OE2 3.48Å; Q253-E256 PolarHBondContact N-OE2 3.35Å; Q253-E256 PolarHBondContact O-N 3.49Å; W254-E256 VanDerWaalsContact C-N 3.33Å; W254-E256 PolarHBondContact O-N 2.95Å; E256-P260 WeakPolarHBondContact O-CD 3.17Å; E256-P260 WeakPolarHBondContact O-CG 3.08Å
257I96.5Very high94.9Very high0 Ų056.2 Ų56.20%031%0.313CS..Hα-helixtrans-80.2-24.5-175.9-162.7171.7000113.5F243 M247 L252 Q253 W254 P260 L261 I280F243-I257 HydrophobicContact CB-CD1 3.72Å; M247-I257 HydrophobicContact CE-CG1 4.22Å; L252-I257 HydrophobicContact CB-CB 3.91Å; L252-I257 HydrophobicContact CB-CG1 4.4Å; L252-I257 HydrophobicContact CD1-CB 4.3Å; L252-I257 HydrophobicContact CD1-CG1 4.33Å; Q253-I257 PolarHBondContact O-N 3.41Å; W254-I257 WeakPolarHBondContact O-CG2 3.5Å; I257-P260 WeakPolarHBondContact O-CD 3.46Å; I257-L261 HydrophobicContact CD1-CD1 4.16Å; I257-L261 HydrophobicContact CG1-CD1 3.79Å; I257-L261 HydrophobicContact CG1-CG 3.96Å; I257-L261 WeakPolarHBondContact O-CB 3.31Å; I257-L261 VanDerWaalsContact O-CG 3.31Å; I257-L261 WeakPolarHBondContact O-CG 3.43Å; I257-L261 PolarHBondContact O-N 2.75Å; I257-L261 VanDerWaalsContact O-N 3.15Å; I257-I280 HydrophobicContact CG2-CD1 4.35Å
258L96Very high95.1Very high1 Ų156.4 Ų56.41%0.00532%0.315CS..Hα-helixtrans-63.5-52.4-171.5-67.2176000113.4W145 L157 F158 W254 L261 L262 I280W145-L258 HydrophobicContact CH2-CB 3.97Å; W145-L258 HydrophobicContact CZ2-CB 4.14Å; L157-L258 HydrophobicContact CB-CD1 4.14Å; L157-L258 HydrophobicContact CB-CD2 4.37Å; L157-L258 HydrophobicContact CD1-CD2 4.34Å; F158-L258 HydrophobicContact CD1-CD1 4.28Å; F158-L258 HydrophobicContact CE1-CD1 3.8Å; F158-L258 HydrophobicContact CZ-CD1 4.06Å; W254-L258 WeakPolarHBondContact O-CG 3.39Å; L258-L261 PolarHBondContact O-N 2.8Å; L258-L262 WeakPolarHBondContact O-CB 3.42Å; L258-L262 PolarHBondContact O-N 3.46Å; L258-I280 HydrophobicContact CD2-CD1 4.19Å
259M94.4Very high95.5Very high49 Ų4954.3 Ų54.324%0.24130%0.302CS..Hα-helixtrans-64.7-46.5-177.5-81.4-56.6-59.900112.9N141 W145 L261 L262 Q263N141-M259 HydrophobicContact CB-CE 4.04Å; N141-M259 HydrophobicContact CB-SD 4.24Å; N141-M259 VanDerWaalsContact OD1-CE 3.22Å; N141-M259 WeakPolarHBondContact OD1-CE 3.39Å; W145-M259 HydrophobicContact CZ2-CG 4.11Å; W145-M259 HydrophobicContact CZ2-SD 3.33Å; W145-M259 WeakPolarHBondContact CZ2-SD 3.35Å; W145-M259 PolarHBondContact NE1-SD 3.04Å; M259-L261 VanDerWaalsContact C-N 3.33Å; M259-L261 PolarHBondContact O-N 3.26Å; M259-L262 PolarHBondContact O-N 2.95Å; M259-L262 HydrophobicContact SD-CD2 4.27Å; M259-Q263 WeakPolarHBondContact O-CG 3.22Å; M259-Q263 PolarHBondContact O-N 2.95Å
260P94.8Very high95.8Very high52 Ų5253 Ų5334%0.33828%0.283SS..Hα-helixtrans-58.3-42.9174.7-27.136.7000112.8M247 E256 I257 Q263 K264M247-P260 HydrophobicContact CE-CB 3.53Å; M247-P260 HydrophobicContact SD-CB 3.64Å; E256-P260 WeakPolarHBondContact O-CD 3.17Å; E256-P260 WeakPolarHBondContact O-CG 3.08Å; I257-P260 WeakPolarHBondContact O-CD 3.46Å; P260-Q263 PolarHBondContact O-N 3.08Å; P260-K264 PolarHBondContact O-N 3.3Å
261L96.1Very high95.9Very high1 Ų150.1 Ų50.11%0.00526%0.261CS..Hα-helixtrans-62.9-46.2176.5-75.8178.5000111.4M247 I257 L258 M259 Q263 K264 Y265 L276 I279 I280M247-L261 HydrophobicContact CE-CB 4.34Å; M247-L261 HydrophobicContact CE-CD2 3.48Å; M247-L261 VanDerWaalsContact CE-CD2 3.48Å; M247-L261 HydrophobicContact CE-CG 3.58Å; M247-L261 HydrophobicContact CG-CD2 4.49Å; M247-L261 HydrophobicContact SD-CD2 3.85Å; M247-L261 HydrophobicContact SD-CG 4.25Å; M247-L261 PolarHBondContact SD-N 3.39Å; M247-L261 VanDerWaalsContact SD-N 3.43Å; I257-L261 HydrophobicContact CD1-CD1 4.16Å; I257-L261 HydrophobicContact CG1-CD1 3.79Å; I257-L261 HydrophobicContact CG1-CG 3.96Å; I257-L261 WeakPolarHBondContact O-CB 3.31Å; I257-L261 VanDerWaalsContact O-CG 3.31Å; I257-L261 WeakPolarHBondContact O-CG 3.43Å; I257-L261 PolarHBondContact O-N 2.75Å; I257-L261 VanDerWaalsContact O-N 3.15Å; L258-L261 PolarHBondContact O-N 2.8Å; M259-L261 VanDerWaalsContact C-N 3.33Å; M259-L261 PolarHBondContact O-N 3.26Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 3.09Å; L261-K264 PolarHBondContact O-N 2.96Å; L261-Y265 HydrophobicContact CD2-CD2 4.11Å; L261-Y265 HydrophobicContact CD2-CE2 3.75Å; L261-Y265 VanDerWaalsContact O-CD2 3.31Å; L261-Y265 WeakPolarHBondContact O-CD2 3.47Å; L261-Y265 PolarHBondContact O-N 3.23Å; L261-L276 HydrophobicContact CB-CD2 3.88Å; L261-I279 HydrophobicContact CD2-CG2 3.83Å; L261-I280 HydrophobicContact CD1-CD1 4Å; L261-I280 HydrophobicContact CD1-CG1 3.42Å; L261-I280 VanDerWaalsContact CD1-CG1 3.42Å
262L95.6Very high96Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-56.6-49.4176.2176.860000110.4E144 W145 L148 L258 M259 K264 Y265 K266 I269E144-L262 HydrophobicContact CG-CD2 4.24Å; W145-L262 HydrophobicContact CD2-CD2 4.07Å; W145-L262 HydrophobicContact CE3-CD2 4.13Å; W145-L262 HydrophobicContact CH2-CB 3.83Å; W145-L262 HydrophobicContact CH2-CD2 3.63Å; W145-L262 HydrophobicContact CH2-CG 4.27Å; W145-L262 HydrophobicContact CZ2-CB 4.18Å; W145-L262 HydrophobicContact CZ2-CD2 3.56Å; W145-L262 HydrophobicContact CZ3-CD2 3.92Å; L148-L262 HydrophobicContact CD1-CD1 3.54Å; L148-L262 HydrophobicContact CD2-CD1 4.4Å; L258-L262 WeakPolarHBondContact O-CB 3.42Å; L258-L262 PolarHBondContact O-N 3.46Å; M259-L262 PolarHBondContact O-N 2.95Å; M259-L262 HydrophobicContact SD-CD2 4.27Å; L262-K264 VanDerWaalsContact C-N 3.3Å; L262-K264 PolarHBondContact O-N 3.32Å; L262-Y265 PolarHBondContact O-N 3.41Å; L262-K266 HydrophobicContact CD1-CB 4.02Å; L262-K266 WeakPolarHBondContact O-CA 3.28Å; L262-K266 WeakPolarHBondContact O-CB 3.39Å; L262-K266 PolarHBondContact O-N 3.15Å; L262-I269 HydrophobicContact CD1-CD1 3.8Å
263Q94.8Very high96Very high85 Ų8545.7 Ų45.740%0.39724%0.236SC..Hα-helixtrans-61.4-38.5-179.4-70.8-57.3-16.800113.1M259 P260 L261M259-Q263 WeakPolarHBondContact O-CG 3.22Å; M259-Q263 PolarHBondContact O-N 2.95Å; P260-Q263 PolarHBondContact O-N 3.08Å; L261-Q263 VanDerWaalsContact C-N 3.33Å; L261-Q263 PolarHBondContact O-N 3.09Å
264K96.6Very high96Very high92 Ų9242.9 Ų42.940%0.422%0.222SC..Hα-helixtrans-68.4-43.3177.4178.3169.1174-177.40112.6D246 M247 P260 L261 L262D246-K264 PolarHBondContact O-NZ 2.77Å; D246-K264 VanDerWaalsContact O-NZ 3.16Å; D246-K264 IonicContact OD1-NZ 3.78Å; D246-K264 PolarHBondContact OD1-NZ 3.05Å; D246-K264 IonicContact OD2-NZ 2.96Å; D246-K264 PolarHBondContact OD2-NZ 3.15Å; M247-K264 HydrophobicContact CG-CD 3.55Å; M247-K264 HydrophobicContact SD-CB 4.15Å; M247-K264 HydrophobicContact SD-CD 4.14Å; P260-K264 PolarHBondContact O-N 3.3Å; L261-K264 PolarHBondContact O-N 2.96Å; L262-K264 VanDerWaalsContact C-N 3.3Å; L262-K264 PolarHBondContact O-N 3.32Å
265Y96.8Very high96.1Very high14 Ų1442.7 Ų42.76%0.05522%0.222CC..Hα-helixtrans-108.8-2.1-167.3-63.4-77.8000115.3H218 D246 L261 L262 L267 N268 I269 I279H218-Y265 HydrophobicContact CB-CD1 3.78Å; H218-Y265 HydrophobicContact CB-CE1 3.98Å; D246-Y265 PolarHBondContact OD1-OH 3.44Å; D246-Y265 PolarHBondContact OD2-OH 3.37Å; L261-Y265 HydrophobicContact CD2-CD2 4.11Å; L261-Y265 HydrophobicContact CD2-CE2 3.75Å; L261-Y265 VanDerWaalsContact O-CD2 3.31Å; L261-Y265 WeakPolarHBondContact O-CD2 3.47Å; L261-Y265 PolarHBondContact O-N 3.23Å; L262-Y265 PolarHBondContact O-N 3.41Å; Y265-L267 PolarHBondContact O-N 3.01Å; Y265-N268 WeakPolarHBondContact O-CA 3.49Å; Y265-N268 PolarHBondContact O-N 3.33Å; Y265-I269 PolarHBondContact O-N 2.9Å; Y265-I279 HydrophobicContact CD1-CD1 4.16Å; Y265-I279 HydrophobicContact CD2-CD1 3.72Å; Y265-I279 HydrophobicContact CD2-CG2 4.4Å; Y265-I279 HydrophobicContact CE1-CD1 4.48Å; Y265-I279 HydrophobicContact CE2-CD1 4.07Å; Y265-I279 HydrophobicContact CE2-CG2 3.79Å; Y265-I279 HydrophobicContact CG-CD1 3.75Å
266K94.8Very high96.3Very high91 Ų9141 Ų4140%0.39621%0.205SC..THydrogen-bonded Turntrans-51.3-26.4-175.561.9-174.7-176.2-172.70115.7L262L262-K266 HydrophobicContact CD1-CB 4.02Å; L262-K266 WeakPolarHBondContact O-CA 3.28Å; L262-K266 WeakPolarHBondContact O-CB 3.39Å; L262-K266 PolarHBondContact O-N 3.15Å
267L95.1Very high96.5Very high158 Ų15836.2 Ų36.283%0.82718%0.182SC*.THydrogen-bonded Turntrans-86.2-13.9177.4-59-177.7000113.9Y265Y265-L267 PolarHBondContact O-N 3.01Å
268N96.8Very high96.6Very high63 Ų6336.2 Ų36.234%0.33718%0.182SC..THydrogen-bonded Turntrans-114.3-17.8-175.2-69.7-7.8000113.4R217 H218 Y265 T270R217-N268 HydrophobicContact CB-CB 4.18Å; R217-N268 PolarHBondContact O-ND2 3.11Å; H218-N268 PolarHBondContact CD2-O 2.97Å; H218-N268 VanDerWaalsContact CD2-O 3.31Å; Y265-N268 WeakPolarHBondContact O-CA 3.49Å; Y265-N268 PolarHBondContact O-N 3.33Å; N268-T270 PolarHBondContact O-N 2.03Å
269I96.9Very high96.7Very high19 Ų1936.2 Ų36.210%0.09718%0.182CC..  trans-80.1110.9176.459-171.9000110.6L148 L262 Y265 D275 L276 I279L148-I269 HydrophobicContact CD1-CD1 4Å; L262-I269 HydrophobicContact CD1-CD1 3.8Å; Y265-I269 PolarHBondContact O-N 2.9Å; I269-D275 VanDerWaalsContact C-OD2 3.27Å; I269-D275 VanDerWaalsContact CA-OD2 3.23Å; I269-D275 WeakPolarHBondContact CA-OD2 3.47Å; I269-D275 HydrophobicContact CB-CB 3.69Å; I269-D275 HydrophobicContact CG2-CB 3.47Å; I269-D275 VanDerWaalsContact CG2-CB 3.47Å; I269-L276 HydrophobicContact CD1-CD2 4.19Å; I269-L276 HydrophobicContact CD1-CG 4.29Å; I269-I279 HydrophobicContact CG2-CD1 4.06Å
270T96.3Very high96.9Very high82 Ų8233.9 Ų33.950%0.50317%0.171SC..SBendtrans-88.6-30.3180-58.40000111.7W211 N268 D275W211-T270 HydrophobicContact CH2-CG2 4.36Å; W211-T270 VanDerWaalsContact CZ2-CB 3.4Å; W211-T270 HydrophobicContact CZ2-CG2 3.7Å; W211-T270 WeakPolarHBondContact CZ2-OG1 3.21Å; N268-T270 PolarHBondContact O-N 2.03Å; T270-D275 PolarHBondContact N-OD2 3.07Å
271W96.3Very high97.1Very high35 Ų3531.4 Ų31.413%0.13316%0.155CC..SBendtrans-106.216.1179-55.4-40.3000112.6E203 W211 Y212 D273 Q274 D275E203-W271 HydrophobicContact CG-CH2 3.95Å; E203-W271 HydrophobicContact CG-CZ3 4.23Å; W211-W271 HydrophobicContact CB-CH2 3.46Å; W211-W271 VanDerWaalsContact CB-CH2 3.46Å; W211-W271 HydrophobicContact CB-CZ2 3.58Å; W211-W271 AromaticContact CD1-CZ2 3.73Å; W211-W271 HydrophobicContact CD2-CD2 4.34Å; W211-W271 AromaticContact CD2-CE2 3.7Å; W211-W271 HydrophobicContact CD2-CE3 4.28Å; W211-W271 AromaticContact CD2-CH2 3.2Å; W211-W271 HydrophobicContact CD2-CH2 3.2Å; W211-W271 AromaticContact CD2-CZ2 3.14Å; W211-W271 HydrophobicContact CD2-CZ2 3.14Å; W211-W271 AromaticContact CD2-CZ3 3.69Å; W211-W271 HydrophobicContact CD2-CZ3 3.69Å; W211-W271 AromaticContact CE2-CE2 3.87Å; W211-W271 AromaticContact CE2-CZ2 3.74Å; W211-W271 HydrophobicContact CE3-CD2 4.09Å; W211-W271 AromaticContact CE3-CE2 3.9Å; W211-W271 AromaticContact CE3-CE3 3.62Å; W211-W271 HydrophobicContact CE3-CE3 3.62Å; W211-W271 AromaticContact CE3-CH2 3.02Å; W211-W271 HydrophobicContact CE3-CH2 3.02Å; W211-W271 AromaticContact CE3-CZ2 3.45Å; W211-W271 HydrophobicContact CE3-CZ2 3.45Å; W211-W271 VanDerWaalsContact CE3-CZ2 3.45Å; W211-W271 AromaticContact CE3-CZ3 3Å; W211-W271 HydrophobicContact CE3-CZ3 3Å; W211-W271 AromaticContact CG-CH2 3.4Å; W211-W271 HydrophobicContact CG-CH2 3.4Å; W211-W271 AromaticContact CG-CZ2 3.18Å; W211-W271 HydrophobicContact CG-CZ2 3.18Å; W211-W271 HydrophobicContact CG-CZ3 4.34Å; W211-W271 HydrophobicContact CH2-CD2 4.28Å; W211-W271 HydrophobicContact CH2-CE3 4.21Å; W211-W271 HydrophobicContact CH2-CZ3 4.39Å; W211-W271 HydrophobicContact CZ3-CD2 4.02Å; W211-W271 AromaticContact CZ3-CE3 3.54Å; W211-W271 HydrophobicContact CZ3-CE3 3.54Å; W211-W271 AromaticContact CZ3-CH2 3.88Å; W211-W271 HydrophobicContact CZ3-CH2 3.88Å; W211-W271 HydrophobicContact CZ3-CZ2 4.22Å; W211-W271 AromaticContact CZ3-CZ3 3.4Å; W211-W271 HydrophobicContact CZ3-CZ3 3.4Å; W211-W271 VanDerWaalsContact CZ3-CZ3 3.4Å; Y212-W271 HydrophobicContact CD1-CE3 4.39Å; Y212-W271 AromaticContact CD1-CZ3 3.79Å; Y212-W271 HydrophobicContact CD1-CZ3 3.79Å; Y212-W271 HydrophobicContact CD2-CH2 4.05Å; Y212-W271 AromaticContact CD2-CZ3 3.47Å; Y212-W271 HydrophobicContact CD2-CZ3 3.47Å; Y212-W271 VanDerWaalsContact CD2-CZ3 3.47Å; Y212-W271 AromaticContact CE1-CE3 3.68Å; Y212-W271 HydrophobicContact CE1-CE3 3.68Å; Y212-W271 AromaticContact CE1-CZ3 3.45Å; Y212-W271 HydrophobicContact CE1-CZ3 3.45Å; Y212-W271 VanDerWaalsContact CE1-CZ3 3.45Å; Y212-W271 AromaticContact CE2-CE3 3.94Å; Y212-W271 HydrophobicContact CE2-CE3 3.94Å; Y212-W271 HydrophobicContact CE2-CH2 4.08Å; Y212-W271 AromaticContact CE2-CZ3 3.21Å; Y212-W271 HydrophobicContact CE2-CZ3 3.21Å; Y212-W271 HydrophobicContact CG-CH2 4.46Å; Y212-W271 AromaticContact CG-CZ3 3.79Å; Y212-W271 HydrophobicContact CG-CZ3 3.79Å; Y212-W271 AromaticContact CZ-CE3 3.44Å; Y212-W271 VanDerWaalsContact CZ-CE3 3.44Å; Y212-W271 AromaticContact CZ-CZ3 3.17Å; W271-D273 PolarHBondContact O-N 3.34Å; W271-D273 VanDerWaalsContact O-N 3.09Å; W271-Q274 HydrophobicContact CB-CB 4.14Å; W271-Q274 PolarHBondContact O-N 2.88Å; W271-Q274 VanDerWaalsContact O-N 3.16Å; W271-D275 PolarHBondContact N-OD2 2.87Å
272G96.9Very high97.2Very high0 Ų035.4 Ų35.40%017%0.173CC..THydrogen-bonded Turntrans56.6-110.7167.800000113.6Q274 D275 L276G272-Q274 VanDerWaalsContact C-N 3.32Å; G272-Q274 PolarHBondContact O-N 3.08Å; G272-D275 PolarHBondContact O-N 2.92Å; G272-D275 VanDerWaalsContact O-N 3.16Å; G272-L276 PolarHBondContact O-N 3.43Å; G272-L276 VanDerWaalsContact O-N 3.14Å
273D97.1Very high97.4Very high1 Ų137.5 Ų37.51%0.00518%0.183CC..Hα-helixtrans-61.6-35.9-177.652.8-56.4000113.6L148 A153 R156 L157 W271 D275 L276 L277L148-D273 HydrophobicContact CD2-CB 4.34Å; A153-D273 VanDerWaalsContact C-OD2 3.28Å; A153-D273 VanDerWaalsContact O-OD2 3.08Å; R156-D273 IonicContact CZ-OD2 3.82Å; R156-D273 IonicContact NE-OD2 3.42Å; R156-D273 PolarHBondContact NE-OD2 3.49Å; R156-D273 IonicContact NH2-OD2 3.3Å; R156-D273 PolarHBondContact NH2-OD2 3.35Å; L157-D273 HydrophobicContact CD1-CB 3.72Å; L157-D273 HydrophobicContact CD2-CB 4.37Å; L157-D273 HydrophobicContact CG-CB 4Å; W271-D273 PolarHBondContact O-N 3.34Å; W271-D273 VanDerWaalsContact O-N 3.09Å; D273-D275 VanDerWaalsContact C-N 3.32Å; D273-D275 PolarHBondContact O-N 3.04Å; D273-L276 PolarHBondContact O-N 3.02Å; D273-L277 PolarHBondContact O-N 3.2Å; D273-L277 VanDerWaalsContact O-N 3.13Å
274Q98.4Very high97.5Very high17 Ų1733.4 Ų33.48%0.07916%0.164CC..Hα-helixtrans-64.2-38.9174.7-176.8172.7-8000112.2E203 Y212 N227 S228 W271 G272 L277 N278E203-Q274 PolarHBondContact OE2-NE2 3.01Å; Y212-Q274 PolarHBondContact OH-NE2 3.36Å; N227-Q274 PolarHBondContact ND2-OE1 3.24Å; S228-Q274 WeakPolarHBondContact OG-CB 3.13Å; S228-Q274 WeakPolarHBondContact OG-CG 3.46Å; S228-Q274 PolarHBondContact OG-OE1 3.34Å; W271-Q274 HydrophobicContact CB-CB 4.14Å; W271-Q274 PolarHBondContact O-N 2.88Å; W271-Q274 VanDerWaalsContact O-N 3.16Å; G272-Q274 VanDerWaalsContact C-N 3.32Å; G272-Q274 PolarHBondContact O-N 3.08Å; Q274-L277 PolarHBondContact O-N 2.87Å; Q274-N278 PolarHBondContact O-N 3.09Å; Q274-N278 PolarHBondContact O-ND2 3.05Å
275D98.6Very high97.6Very high0 Ų032.3 Ų32.30%017%0.166CC..Hα-helixtrans-68.8-38.1179.4-72.6-25.1000110.8Y212 H218 I269 T270 W271 G272 D273 L277 N278 I279Y212-D275 WeakPolarHBondContact CE1-OD1 3.09Å; Y212-D275 PolarHBondContact OH-OD1 2.99Å; H218-D275 IonicContact CE1-OD1 3.96Å; H218-D275 PolarHBondContact CE1-OD1 3.46Å; H218-D275 VanDerWaalsContact CE1-OD1 3.26Å; H218-D275 IonicContact CE1-OD2 2.77Å; H218-D275 IonicContact NE2-OD1 3.42Å; H218-D275 PolarHBondContact NE2-OD1 3.14Å; H218-D275 IonicContact NE2-OD2 3.93Å; H218-D275 PolarHBondContact NE2-OD2 3.16Å; I269-D275 VanDerWaalsContact C-OD2 3.27Å; I269-D275 VanDerWaalsContact CA-OD2 3.23Å; I269-D275 WeakPolarHBondContact CA-OD2 3.47Å; I269-D275 HydrophobicContact CB-CB 3.69Å; I269-D275 HydrophobicContact CG2-CB 3.47Å; I269-D275 VanDerWaalsContact CG2-CB 3.47Å; T270-D275 PolarHBondContact N-OD2 3.07Å; W271-D275 PolarHBondContact N-OD2 2.87Å; G272-D275 PolarHBondContact O-N 2.92Å; G272-D275 VanDerWaalsContact O-N 3.16Å; D273-D275 VanDerWaalsContact C-N 3.32Å; D273-D275 PolarHBondContact O-N 3.04Å; D275-L277 VanDerWaalsContact C-N 3.34Å; D275-L277 PolarHBondContact O-N 3.15Å; D275-N278 WeakPolarHBondContact O-CB 3.02Å; D275-N278 PolarHBondContact O-N 2.79Å; D275-N278 VanDerWaalsContact O-N 3.17Å; D275-I279 WeakPolarHBondContact O-CD1 3.3Å; D275-I279 VanDerWaalsContact O-CG1 3.22Å; D275-I279 WeakPolarHBondContact O-CG1 3.37Å; D275-I279 PolarHBondContact O-N 3.09Å
276L98.5Very high97.7Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-60.2-43.7173.5-66.3177.9000111.6W145 L148 L157 L261 I269 G272 D273 N278 I279 I280W145-L276 HydrophobicContact CH2-CD1 3.92Å; W145-L276 HydrophobicContact CZ3-CD1 3.69Å; L148-L276 HydrophobicContact CD2-CD1 3.98Å; L157-L276 HydrophobicContact CD1-CD1 3.92Å; L261-L276 HydrophobicContact CB-CD2 3.88Å; I269-L276 HydrophobicContact CD1-CD2 4.19Å; I269-L276 HydrophobicContact CD1-CG 4.29Å; G272-L276 PolarHBondContact O-N 3.43Å; G272-L276 VanDerWaalsContact O-N 3.14Å; D273-L276 PolarHBondContact O-N 3.02Å; L276-N278 VanDerWaalsContact C-N 3.34Å; L276-N278 PolarHBondContact O-N 2.82Å; L276-I279 PolarHBondContact O-N 2.95Å; L276-I280 VanDerWaalsContact O-CG1 3.28Å; L276-I280 WeakPolarHBondContact O-CG1 3.3Å; L276-I280 PolarHBondContact O-N 3.33Å
277L98.8Very high97.9Very high1 Ų131 Ų311%0.00516%0.162CC..Hα-helixtrans-59.9-45.4173.1-68.6170.6000111.4L157 M200 M231 W254 D273 Q274 D275 I279 I280 F281L157-L277 HydrophobicContact CD2-CD1 4.2Å; L157-L277 HydrophobicContact CD2-CD2 3.71Å; L157-L277 HydrophobicContact CD2-CG 3.71Å; M200-L277 HydrophobicContact SD-CD1 4.49Å; M231-L277 HydrophobicContact CE-CD2 4.05Å; M231-L277 HydrophobicContact SD-CD1 3.95Å; M231-L277 HydrophobicContact SD-CD2 4.38Å; W254-L277 HydrophobicContact CH2-CD2 3.55Å; W254-L277 HydrophobicContact CZ2-CD2 3.93Å; D273-L277 PolarHBondContact O-N 3.2Å; D273-L277 VanDerWaalsContact O-N 3.13Å; Q274-L277 PolarHBondContact O-N 2.87Å; D275-L277 VanDerWaalsContact C-N 3.34Å; D275-L277 PolarHBondContact O-N 3.15Å; L277-I279 VanDerWaalsContact C-N 3.33Å; L277-I279 PolarHBondContact O-N 3.1Å; L277-I280 PolarHBondContact O-N 2.02Å; L277-F281 HydrophobicContact CB-CD2 4.44Å; L277-F281 HydrophobicContact CB-CE2 4.41Å; L277-F281 HydrophobicContact CD2-CE2 4.21Å; L277-F281 WeakPolarHBondContact O-CD2 3.48Å; L277-F281 PolarHBondContact O-N 2.95Å
278N98.8Very high98.1Very high0 Ų023.7 Ų23.70%012%0.123CC..Hα-helixtrans-61.3-39.8178.2-90.9-89.2000112.8Y212 Y221 G225 V226 Q274 D275 L276 H282Y212-N278 HydrophobicContact CE1-CB 4.29Å; Y212-N278 VanDerWaalsContact OH-CG 3.22Å; Y212-N278 PolarHBondContact OH-ND2 3.06Å; Y221-N278 PolarHBondContact N-O 2.84Å; Y221-N278 PolarHBondContact N-OD1 2.75Å; G225-N278 WeakPolarHBondContact CA-OD1 3.46Å; V226-N278 WeakPolarHBondContact CG2-ND2 3.48Å; V226-N278 PolarHBondContact N-OD1 2.95Å; V226-N278 PolarHBondContact O-ND2 3.29Å; Q274-N278 PolarHBondContact O-N 3.09Å; Q274-N278 PolarHBondContact O-ND2 3.05Å; D275-N278 WeakPolarHBondContact O-CB 3.02Å; D275-N278 PolarHBondContact O-N 2.79Å; D275-N278 VanDerWaalsContact O-N 3.17Å; L276-N278 VanDerWaalsContact C-N 3.34Å; L276-N278 PolarHBondContact O-N 2.82Å; N278-H282 VanDerWaalsContact O-CB 3.28Å; N278-H282 WeakPolarHBondContact O-CB 3.03Å; N278-H282 PolarHBondContact O-N 3.45Å
279I98.8Very high98.2Very high0 Ų022.8 Ų22.80%012%0.116CC..Hα-helixtrans-67-45.7175.8-66.2158.9000110.7H218 P219 L261 Y265 I269 D275 L276 L277 F281 H282 H283H218-I279 HydrophobicContact CB-CD1 4.01Å; H218-I279 HydrophobicContact CB-CG1 4.26Å; P219-I279 WeakPolarHBondContact O-CG1 3.3Å; L261-I279 HydrophobicContact CD2-CG2 3.83Å; Y265-I279 HydrophobicContact CD1-CD1 4.16Å; Y265-I279 HydrophobicContact CD2-CD1 3.72Å; Y265-I279 HydrophobicContact CD2-CG2 4.4Å; Y265-I279 HydrophobicContact CE1-CD1 4.48Å; Y265-I279 HydrophobicContact CE2-CD1 4.07Å; Y265-I279 HydrophobicContact CE2-CG2 3.79Å; Y265-I279 HydrophobicContact CG-CD1 3.75Å; I269-I279 HydrophobicContact CG2-CD1 4.06Å; D275-I279 WeakPolarHBondContact O-CD1 3.3Å; D275-I279 VanDerWaalsContact O-CG1 3.22Å; D275-I279 WeakPolarHBondContact O-CG1 3.37Å; D275-I279 PolarHBondContact O-N 3.09Å; L276-I279 PolarHBondContact O-N 2.95Å; L277-I279 VanDerWaalsContact C-N 3.33Å; L277-I279 PolarHBondContact O-N 3.1Å; I279-F281 PolarHBondContact O-N 2.77Å; I279-H282 WeakPolarHBondContact O-CB 3.41Å; I279-H282 PolarHBondContact O-N 3.38Å; I279-H283 PolarHBondContact O-CD2 3.47Å; I279-H283 VanDerWaalsContact O-CD2 3.28Å; I279-H283 PolarHBondContact O-N 3.18Å
280I98.6Very high98.2Very high1 Ų124.7 Ų24.71%0.00513%0.128CC..Hα-helixtrans-57.7-50.1177.5-70.2165.6000110.1F243 W254 I257 L258 L261 L276 L277 H283 N284F243-I280 HydrophobicContact CD1-CG2 3.61Å; F243-I280 HydrophobicContact CE1-CG2 3.98Å; F243-I280 HydrophobicContact CG-CG2 4.37Å; W254-I280 HydrophobicContact CH2-CD1 4.18Å; W254-I280 HydrophobicContact CZ3-CD1 4.08Å; W254-I280 HydrophobicContact CZ3-CG2 4.11Å; I257-I280 HydrophobicContact CG2-CD1 4.35Å; L258-I280 HydrophobicContact CD2-CD1 4.19Å; L261-I280 HydrophobicContact CD1-CD1 4Å; L261-I280 HydrophobicContact CD1-CG1 3.42Å; L261-I280 VanDerWaalsContact CD1-CG1 3.42Å; L276-I280 VanDerWaalsContact O-CG1 3.28Å; L276-I280 WeakPolarHBondContact O-CG1 3.3Å; L276-I280 PolarHBondContact O-N 3.33Å; L277-I280 PolarHBondContact O-N 2.02Å; I280-H283 PolarHBondContact O-N 3.02Å; I280-N284 PolarHBondContact O-N 3.35Å; I280-N284 VanDerWaalsContact O-N 3.15Å; I280-N284 PolarHBondContact O-ND2 3.21Å
281F98.7Very high98.3Very high0 Ų020.8 Ų20.80%010%0.104CC..Hα-helixtrans-73.8-26-178.4-67-59.6000112.9L197 A198 M200 Y221 M231 L277 I279 H283 N284 P285 N287 L288L197-F281 HydrophobicContact CD1-CE1 3.74Å; L197-F281 HydrophobicContact CD1-CZ 4Å; A198-F281 HydrophobicContact CB-CE1 4.37Å; A198-F281 HydrophobicContact CB-CZ 3.75Å; M200-F281 HydrophobicContact CE-CD2 3.65Å; M200-F281 HydrophobicContact CE-CE2 3.31Å; M200-F281 HydrophobicContact CE-CZ 4.28Å; Y221-F281 HydrophobicContact CD2-CB 3.5Å; Y221-F281 VanDerWaalsContact CD2-CB 3.5Å; Y221-F281 WeakPolarHBondContact CD2-O 3.16Å; Y221-F281 HydrophobicContact CE2-CB 4.26Å; Y221-F281 HydrophobicContact CG-CB 4.07Å; M231-F281 HydrophobicContact CE-CE2 4.26Å; M231-F281 HydrophobicContact CE-CZ 4.32Å; L277-F281 HydrophobicContact CB-CD2 4.44Å; L277-F281 HydrophobicContact CB-CE2 4.41Å; L277-F281 HydrophobicContact CD2-CE2 4.21Å; L277-F281 WeakPolarHBondContact O-CD2 3.48Å; L277-F281 PolarHBondContact O-N 2.95Å; I279-F281 PolarHBondContact O-N 2.77Å; F281-H283 VanDerWaalsContact C-N 3.27Å; F281-H283 PolarHBondContact O-N 3.13Å; F281-N284 CarbonylContact O-C 3.58Å; F281-N284 PolarHBondContact O-N 3.36Å; F281-P285 WeakPolarHBondContact O-CA 3.4Å; F281-N287 HydrophobicContact CD1-CB 4.29Å; F281-N287 HydrophobicContact CE1-CB 4.18Å; F281-L288 HydrophobicContact CB-CD2 4.34Å; F281-L288 HydrophobicContact CD1-CB 3.96Å; F281-L288 HydrophobicContact CD1-CD1 4.22Å; F281-L288 HydrophobicContact CD2-CD1 4.09Å; F281-L288 HydrophobicContact CD2-CD2 4.32Å; F281-L288 HydrophobicContact CE1-CB 4.37Å; F281-L288 HydrophobicContact CE1-CD1 4.06Å; F281-L288 HydrophobicContact CE2-CD1 3.95Å; F281-L288 HydrophobicContact CG-CB 4.28Å; F281-L288 HydrophobicContact CG-CD1 4.25Å; F281-L288 HydrophobicContact CG-CD2 4.22Å; F281-L288 HydrophobicContact CG-CG 4.5Å; F281-L288 HydrophobicContact CZ-CD1 3.94Å
282H98.7Very high98.4Very high84 Ų8421.3 Ų21.339%0.38911%0.112SC..Hα-helixtrans-56.1-43.3170.5177.888.5000111.8P219 Y220 N278 I279P219-H282 HydrophobicContact CB-CB 3.96Å; P219-H282 WeakPolarHBondContact CB-CD2 3.45Å; P219-H282 VanDerWaalsContact CB-CG 3.47Å; Y220-H282 PolarHBondContact O-ND1 3.01Å; N278-H282 VanDerWaalsContact O-CB 3.28Å; N278-H282 WeakPolarHBondContact O-CB 3.03Å; N278-H282 PolarHBondContact O-N 3.45Å; I279-H282 WeakPolarHBondContact O-CB 3.41Å; I279-H282 PolarHBondContact O-N 3.38Å
283H98.4Very high98.5Very high44 Ų4421.3 Ų21.320%0.20411%0.112CC..Hα-helixtrans-84.5-11.6179.2-66.7-62.4000114.2K244 D246 I279 I280 F281K244-H283 HydrophobicContact CB-CB 4.45Å; D246-H283 IonicContact OD1-NE2 3.64Å; I279-H283 PolarHBondContact O-CD2 3.47Å; I279-H283 VanDerWaalsContact O-CD2 3.28Å; I279-H283 PolarHBondContact O-N 3.18Å; I280-H283 PolarHBondContact O-N 3.02Å; F281-H283 VanDerWaalsContact C-N 3.27Å; F281-H283 PolarHBondContact O-N 3.13Å
284N98.6Very high98.5Very high0 Ų021.4 Ų21.40%011%0.112CC..  trans-135.358.3-178.4-55.7-91.6000110.1F243 K244 I280 F281 E286 N287F243-N284 HydrophobicContact CD1-CB 4.44Å; K244-N284 WeakPolarHBondContact CB-OD1 3.29Å; K244-N284 PolarHBondContact N-ND2 3.16Å; K244-N284 PolarHBondContact N-OD1 2.96Å; K244-N284 PolarHBondContact O-ND2 3.47Å; I280-N284 PolarHBondContact O-N 3.35Å; I280-N284 VanDerWaalsContact O-N 3.15Å; I280-N284 PolarHBondContact O-ND2 3.21Å; F281-N284 CarbonylContact O-C 3.58Å; F281-N284 PolarHBondContact O-N 3.36Å; N284-E286 VanDerWaalsContact C-OE2 3.25Å; N284-E286 PolarHBondContact O-N 3.47Å; N284-N287 HydrophobicContact CB-CB 4.4Å; N284-N287 WeakPolarHBondContact O-CB 3.05Å; N284-N287 PolarHBondContact O-N 2.72Å; N284-N287 VanDerWaalsContact O-N 3.15Å
285P98.6Very high98.6Very high68 Ų6821.5 Ų21.544%0.44211%0.112SC..G310 helixtrans-67.8-24.3-168.127.3-35.8000113.4Y221 F281 N287 L288Y221-P285 HydrophobicContact CD2-CB 4.46Å; Y221-P285 HydrophobicContact CE2-CB 3.93Å; F281-P285 WeakPolarHBondContact O-CA 3.4Å; P285-N287 PolarHBondContact O-N 3.46Å; P285-L288 PolarHBondContact O-N 3.01Å
286E98.4Very high98.6Very high73 Ų7321.5 Ų21.534%0.34111%0.112SC..G310 helixtrans-66.1-17.1176.672.9-82.2-161.700113.8S195 N284 L288S195-E286 WeakPolarHBondContact CB-O 3.48Å; N284-E286 VanDerWaalsContact C-OE2 3.25Å; N284-E286 PolarHBondContact O-N 3.47Å; E286-L288 VanDerWaalsContact C-N 3.34Å
287N98.6Very high98.6Very high5 Ų521.5 Ų21.53%0.02711%0.112CC..G310 helixtrans-85.4-5.3-174.8-73.999.2000113.7S195 Q196 L197 A198 K241 F281 N284 P285S195-N287 PolarHBondContact O-ND2 3.25Å; Q196-N287 WeakPolarHBondContact CA-O 3.48Å; L197-N287 HydrophobicContact CD1-CB 4.25Å; L197-N287 HydrophobicContact CD2-CB 4.11Å; L197-N287 WeakPolarHBondContact CD2-ND2 3.37Å; L197-N287 HydrophobicContact CG-CB 3.88Å; L197-N287 PolarHBondContact N-O 2.87Å; A198-N287 PolarHBondContact N-O 3.23Å; K241-N287 WeakPolarHBondContact CE-ND2 3.42Å; K241-N287 VanDerWaalsContact CE-OD1 3.31Å; K241-N287 WeakPolarHBondContact CE-OD1 3.21Å; F281-N287 HydrophobicContact CD1-CB 4.29Å; F281-N287 HydrophobicContact CE1-CB 4.18Å; N284-N287 HydrophobicContact CB-CB 4.4Å; N284-N287 WeakPolarHBondContact O-CB 3.05Å; N284-N287 PolarHBondContact O-N 2.72Å; N284-N287 VanDerWaalsContact O-N 3.15Å; P285-N287 PolarHBondContact O-N 3.46Å
288L98.7Very high98.5Very high5 Ų521.7 Ų21.73%0.02611%0.113CC..EExtended strand (participates in β ladder)trans-113.9133.7-176.6-162.869.2000112.3Q196 A198 M200 Y221 V226 F281 P285 E286 V290Q196-L288 PolarHBondContact NE2-O 2.83Å; Q196-L288 VanDerWaalsContact NE2-O 3.16Å; A198-L288 HydrophobicContact CB-CD1 3.87Å; A198-L288 WeakPolarHBondContact O-CD1 3.23Å; M200-L288 HydrophobicContact CE-CD1 3.67Å; M200-L288 HydrophobicContact CE-CD2 4.38Å; Y221-L288 HydrophobicContact CD1-CD2 3.8Å; Y221-L288 HydrophobicContact CD2-CD2 3.98Å; Y221-L288 HydrophobicContact CE1-CD2 3.72Å; Y221-L288 HydrophobicContact CE2-CB 3.83Å; Y221-L288 HydrophobicContact CE2-CD2 3.85Å; Y221-L288 HydrophobicContact CE2-CG 4.46Å; Y221-L288 HydrophobicContact CG-CD2 3.91Å; V226-L288 HydrophobicContact CG1-CD2 3.85Å; V226-L288 HydrophobicContact CG2-CD2 4.3Å; F281-L288 HydrophobicContact CB-CD2 4.34Å; F281-L288 HydrophobicContact CD1-CB 3.96Å; F281-L288 HydrophobicContact CD1-CD1 4.22Å; F281-L288 HydrophobicContact CD2-CD1 4.09Å; F281-L288 HydrophobicContact CD2-CD2 4.32Å; F281-L288 HydrophobicContact CE1-CB 4.37Å; F281-L288 HydrophobicContact CE1-CD1 4.06Å; F281-L288 HydrophobicContact CE2-CD1 3.95Å; F281-L288 HydrophobicContact CG-CB 4.28Å; F281-L288 HydrophobicContact CG-CD1 4.25Å; F281-L288 HydrophobicContact CG-CD2 4.22Å; F281-L288 HydrophobicContact CG-CG 4.5Å; F281-L288 HydrophobicContact CZ-CD1 3.94Å; P285-L288 PolarHBondContact O-N 3.01Å; E286-L288 VanDerWaalsContact C-N 3.34Å; L288-V290 HydrophobicContact CD2-CG2 4.41Å
289Y98.8Very high98.4Very high44 Ų4421.9 Ų21.917%0.17311%0.114CC..EExtended strand (participates in β ladder)trans-96.8125.4163.8177.7-80.1000108.4Q191 F192 A198 A199 M200 F291Q191-Y289 HydrophobicContact CB-CE2 4.08Å; Q191-Y289 PolarHBondContact OE1-OH 2.91Å; F192-Y289 HydrophobicContact CD1-CD2 4.38Å; F192-Y289 HydrophobicContact CD1-CG 4.15Å; F192-Y289 HydrophobicContact CE1-CD1 4.36Å; F192-Y289 HydrophobicContact CE1-CG 4.05Å; A198-Y289 PolarHBondContact O-N 3.49Å; A199-Y289 WeakPolarHBondContact CA-O 3.04Å; A199-Y289 HydrophobicContact CB-CD1 3.77Å; A199-Y289 HydrophobicContact CB-CG 4.3Å; A199-Y289 VanDerWaalsContact CB-O 3.23Å; A199-Y289 WeakPolarHBondContact CB-O 3.36Å; M200-Y289 PolarHBondContact N-O 3.35Å; Y289-F291 HydrophobicContact CD1-CB 4.39Å; Y289-F291 HydrophobicContact CE1-CB 3.96Å
290V98.7Very high98.3Very high58 Ų5822.2 Ų22.235%0.35212%0.116SC..EExtended strand (participates in β ladder)trans-98.6112.9179.7-175.40000108.5M200 P202 Y221 L288M200-V290 WeakPolarHBondContact O-CA 3.44Å; P202-V290 HydrophobicContact CG-CG1 3.83Å; Y221-V290 HydrophobicContact CE1-CG2 3.49Å; Y221-V290 VanDerWaalsContact CE1-CG2 3.49Å; L288-V290 HydrophobicContact CD2-CG2 4.41Å
291F98.5Very high98.2Very high1 Ų122.2 Ų22.20%0.00412%0.116CC..  trans-87.4154173.551.7-118.2000111.5I185 L188 A199 M200 A201 V230 Y289 W295 N296I185-F291 HydrophobicContact CD1-CE1 4.28Å; I185-F291 HydrophobicContact CD1-CZ 4.34Å; L188-F291 HydrophobicContact CD1-CB 3.99Å; L188-F291 HydrophobicContact CD1-CD1 4.11Å; L188-F291 HydrophobicContact CD1-CG 4.37Å; A199-F291 VanDerWaalsContact C-CE1 3.44Å; A199-F291 HydrophobicContact CB-CD1 3.65Å; A199-F291 HydrophobicContact CB-CE1 3.9Å; A199-F291 WeakPolarHBondContact O-CE1 3.32Å; M200-F291 VanDerWaalsContact CA-CE1 3.49Å; M200-F291 VanDerWaalsContact CA-CZ 3.47Å; M200-F291 PolarHBondContact O-N 3.46Å; M200-F291 VanDerWaalsContact O-N 3.12Å; A201-F291 HydrophobicContact CB-CD2 3.73Å; A201-F291 HydrophobicContact CB-CE2 3.45Å; A201-F291 VanDerWaalsContact CB-CE2 3.45Å; A201-F291 HydrophobicContact CB-CZ 4.49Å; V230-F291 HydrophobicContact CB-CZ 4.18Å; V230-F291 HydrophobicContact CG1-CZ 3.92Å; Y289-F291 HydrophobicContact CD1-CB 4.39Å; Y289-F291 HydrophobicContact CE1-CB 3.96Å; F291-W295 HydrophobicContact CB-CG 4.39Å; F291-W295 HydrophobicContact CD2-CB 3.37Å; F291-W295 HydrophobicContact CD2-CG 4.04Å; F291-W295 HydrophobicContact CE2-CB 3.53Å; F291-W295 HydrophobicContact CG-CB 4.09Å; F291-W295 HydrophobicContact CG-CG 4.33Å; F291-W295 HydrophobicContact CZ-CB 4.41Å; F291-N296 HydrophobicContact CE2-CB 4.29Å
292P98.3Very high98.1Very high45 Ų4522.2 Ų22.229%0.29212%0.116SC..  trans-59.1156.7178.6-29.738.4000115.3Q294 W295 Q310P292-Q294 VanDerWaalsContact C-N 3.26Å; P292-Q294 PolarHBondContact O-N 2.82Å; P292-Q294 VanDerWaalsContact O-N 3.14Å; P292-W295 WeakPolarHBondContact O-CB 3.19Å; P292-W295 PolarHBondContact O-N 2.88Å; P292-W295 VanDerWaalsContact O-N 3.14Å; P292-Q310 HydrophobicContact CB-CB 4.2Å; P292-Q310 HydrophobicContact CB-CG 4.03Å
293C98.1Very high97.9Very high1 Ų120.2 Ų20.21%0.00711%0.107CC..G310 helixtrans-59.2-23.6-175.551.70000115.5E205 W295 N296 Y297 C308E205-C293 HydrophobicContact CG-CB 4.13Å; E205-C293 WeakPolarHBondContact OE1-CB 3.34Å; C293-W295 PolarHBondContact O-N 3.33Å; C293-N296 CarbonylContact O-C 3.51Å; C293-N296 PolarHBondContact O-N 2.94Å; C293-Y297 PolarHBondContact O-N 3.33Å; C293-C308 HydrophobicContact CB-CB 3.96Å; C293-C308 WeakPolarHBondContact CB-SG 3.28Å; C293-C308 WeakPolarHBondContact SG-CA 3.2Å; C293-C308 WeakPolarHBondContact SG-CB 3.5Å; C293-C308 CovalentContact SG-SG 2.02Å; C293-C308 PolarHBondContact SG-SG 3.36Å
294Q98.1Very high97.5Very high2 Ų226.6 Ų26.61%0.00913%0.131CC..G310 helixtrans-67.6-17.1177.775.5-90.328.700113.7P292 N296 Q310 A311 E314 G315 F317 I318P292-Q294 VanDerWaalsContact C-N 3.26Å; P292-Q294 PolarHBondContact O-N 2.82Å; P292-Q294 VanDerWaalsContact O-N 3.14Å; Q294-N296 VanDerWaalsContact C-N 3.29Å; Q294-Q310 VanDerWaalsContact CD-CB 3.5Å; Q294-A311 HydrophobicContact CB-CB 3.99Å; Q294-E314 PolarHBondContact NE2-OE2 3.13Å; Q294-G315 WeakPolarHBondContact CB-O 3.1Å; Q294-F317 HydrophobicContact CB-CG 4.45Å; Q294-F317 HydrophobicContact CG-CB 4.31Å; Q294-F317 HydrophobicContact CG-CD1 3.98Å; Q294-F317 HydrophobicContact CG-CD2 3.46Å; Q294-F317 VanDerWaalsContact CG-CD2 3.46Å; Q294-F317 HydrophobicContact CG-CE1 4.08Å; Q294-F317 HydrophobicContact CG-CE2 3.6Å; Q294-F317 HydrophobicContact CG-CG 3.66Å; Q294-F317 HydrophobicContact CG-CZ 3.91Å; Q294-F317 WeakPolarHBondContact O-CA 2.9Å; Q294-F317 WeakPolarHBondContact O-CB 3.4Å; Q294-F317 PolarHBondContact O-N 3.15Å; Q294-I318 PolarHBondContact O-N 3.19Å
295W98.7Very high97.2Very high19 Ų1927.8 Ų27.87%0.07214%0.143CC..G310 helixtrans-82-3.2173.2-68.2105.4000113.8R180 D184 I185 L188 F291 P292 C293 F317 I318R180-W295 HydrophobicContact CG-CZ3 4.36Å; D184-W295 HydrophobicContact CB-CH2 3.78Å; D184-W295 HydrophobicContact CB-CZ3 4.36Å; I185-W295 HydrophobicContact CB-CE3 3.69Å; I185-W295 HydrophobicContact CB-CH2 4.16Å; I185-W295 HydrophobicContact CB-CZ3 3.46Å; I185-W295 VanDerWaalsContact CB-CZ3 3.46Å; I185-W295 HydrophobicContact CD1-CE3 4.02Å; I185-W295 HydrophobicContact CG1-CE3 4.1Å; I185-W295 HydrophobicContact CG1-CZ3 4.34Å; I185-W295 HydrophobicContact CG2-CZ3 4.41Å; L188-W295 HydrophobicContact CD1-CZ2 4.47Å; F291-W295 HydrophobicContact CB-CG 4.39Å; F291-W295 HydrophobicContact CD2-CB 3.37Å; F291-W295 HydrophobicContact CD2-CG 4.04Å; F291-W295 HydrophobicContact CE2-CB 3.53Å; F291-W295 HydrophobicContact CG-CB 4.09Å; F291-W295 HydrophobicContact CG-CG 4.33Å; F291-W295 HydrophobicContact CZ-CB 4.41Å; P292-W295 WeakPolarHBondContact O-CB 3.19Å; P292-W295 PolarHBondContact O-N 2.88Å; P292-W295 VanDerWaalsContact O-N 3.14Å; C293-W295 PolarHBondContact O-N 3.33Å; W295-F317 HydrophobicContact CD2-CB 4.3Å; W295-F317 AromaticContact CD2-CD2 3.69Å; W295-F317 HydrophobicContact CD2-CD2 3.69Å; W295-F317 AromaticContact CE2-CD2 3.44Å; W295-F317 VanDerWaalsContact CE2-CD2 3.44Å; W295-F317 AromaticContact CE2-CE2 3.91Å; W295-F317 HydrophobicContact CE3-CB 3.92Å; W295-F317 AromaticContact CE3-CD2 3.93Å; W295-F317 HydrophobicContact CE3-CD2 3.93Å; W295-F317 HydrophobicContact CE3-CG 4.45Å; W295-F317 HydrophobicContact CG-CD2 4.3Å; W295-F317 AromaticContact CH2-CD2 3.78Å; W295-F317 HydrophobicContact CH2-CD2 3.78Å; W295-F317 HydrophobicContact CH2-CE2 4.37Å; W295-F317 AromaticContact CZ2-CD2 3.53Å; W295-F317 HydrophobicContact CZ2-CD2 3.53Å; W295-F317 AromaticContact CZ2-CE2 3.83Å; W295-F317 HydrophobicContact CZ2-CE2 3.83Å; W295-F317 HydrophobicContact CZ3-CB 4.14Å; W295-F317 AromaticContact CZ3-CD2 3.95Å; W295-F317 HydrophobicContact CZ3-CD2 3.95Å; W295-F317 HydrophobicContact CZ3-CG 4.48Å; W295-F317 AromaticContact NE1-CD2 3.87Å; W295-I318 HydrophobicContact CE3-CD1 4.01Å; W295-I318 HydrophobicContact CE3-CG1 4.24Å; W295-I318 WeakPolarHBondContact O-CB 3.16Å
296N98.8Very high97Very high1 Ų126.7 Ų26.71%0.00514%0.137CC..G310 helixtrans-15662.3173.4-171.53.3000108.8A201 N227 V230 F291 C293 Q294 R298 H301 H320A201-N296 HydrophobicContact CB-CB 3.61Å; N227-N296 WeakPolarHBondContact CB-ND2 3.47Å; N227-N296 PolarHBondContact OD1-ND2 2.88Å; V230-N296 HydrophobicContact CB-CB 4.34Å; V230-N296 HydrophobicContact CG2-CB 4.13Å; F291-N296 HydrophobicContact CE2-CB 4.29Å; C293-N296 CarbonylContact O-C 3.51Å; C293-N296 PolarHBondContact O-N 2.94Å; Q294-N296 VanDerWaalsContact C-N 3.29Å; N296-R298 PolarHBondContact O-N 3.45Å; N296-H301 PolarHBondContact O-CE1 3.36Å; N296-H301 VanDerWaalsContact O-CE1 3.32Å; N296-H320 VanDerWaalsContact OD1-CB 3.31Å; N296-H320 WeakPolarHBondContact OD1-CB 3.42Å; N296-H320 PolarHBondContact OD1-ND1 3.3Å
297Y98.7Very high96.9Very high0 Ų025.3 Ų25.30%013%0.132CC..BIsolated β-bridgetrans-80.9117.3-171.8-169.6-82.9000111.2C293 H301 C302 C308 A311 V316 I318 L319 H320 F334 F377C293-Y297 PolarHBondContact O-N 3.33Å; Y297-H301 WeakPolarHBondContact CA-ND1 3.4Å; Y297-H301 HydrophobicContact CD2-CB 4.01Å; Y297-H301 AromaticContact CD2-ND1 3.69Å; Y297-H301 HydrophobicContact CE1-CB 4.14Å; Y297-H301 HydrophobicContact CE2-CB 3.59Å; Y297-H301 HydrophobicContact CG-CB 4.49Å; Y297-H301 AromaticContact CG-ND1 3.84Å; Y297-C302 WeakPolarHBondContact OH-CB 3.35Å; Y297-C308 HydrophobicContact CD2-CB 4.17Å; Y297-C308 HydrophobicContact CE2-CB 3.87Å; Y297-A311 HydrophobicContact CD2-CB 3.75Å; Y297-A311 HydrophobicContact CE2-CB 3.67Å; Y297-V316 VanDerWaalsContact CB-CG1 3.48Å; Y297-V316 HydrophobicContact CD1-CG1 4.47Å; Y297-V316 HydrophobicContact CD1-CG2 3.85Å; Y297-V316 HydrophobicContact CD2-CG2 3.64Å; Y297-V316 HydrophobicContact CE1-CG2 4.24Å; Y297-V316 HydrophobicContact CE2-CG2 4.01Å; Y297-V316 HydrophobicContact CG-CB 4.43Å; Y297-V316 HydrophobicContact CG-CG1 4.02Å; Y297-V316 HydrophobicContact CG-CG2 3.53Å; Y297-I318 PolarHBondContact N-O 3.29Å; Y297-L319 HydrophobicContact CD1-CD1 3.94Å; Y297-H320 PolarHBondContact O-N 3.15Å; Y297-F334 AromaticContact CD1-CZ 3.87Å; Y297-F334 HydrophobicContact CD1-CZ 3.87Å; Y297-F334 HydrophobicContact CE1-CE2 4.43Å; Y297-F334 AromaticContact CE1-CZ 3.93Å; Y297-F334 HydrophobicContact CE1-CZ 3.93Å; Y297-F377 AromaticContact CD1-CE1 3.94Å; Y297-F377 HydrophobicContact CD1-CE1 3.94Å; Y297-F377 AromaticContact CE1-CE1 3.61Å; Y297-F377 HydrophobicContact CE1-CE1 3.61Å; Y297-F377 HydrophobicContact CE1-CZ 4.18Å
298R97.7Very high96.8Very high5 Ų525.1 Ų25.12%0.01913%0.131CC..  trans-110.9163.4-174.1-64.5-173.8-42.1147.413.6111.4E203 N227 N296 D300 H301 H320 N322 F334E203-R298 VanDerWaalsContact CD-NH2 3.27Å; E203-R298 PolarHBondContact O-NH2 3.17Å; E203-R298 IonicContact OE1-CZ 3.54Å; E203-R298 IonicContact OE1-NH1 3.62Å; E203-R298 PolarHBondContact OE1-NH1 2.89Å; E203-R298 IonicContact OE1-NH2 2.77Å; E203-R298 PolarHBondContact OE1-NH2 3.07Å; E203-R298 IonicContact OE2-CZ 2.76Å; E203-R298 IonicContact OE2-NH1 3.58Å; E203-R298 PolarHBondContact OE2-NH1 2.97Å; E203-R298 IonicContact OE2-NH2 2.81Å; N227-R298 PolarHBondContact ND2-NH1 2.95Å; N296-R298 PolarHBondContact O-N 3.45Å; R298-D300 HydrophobicContact CB-CB 4.44Å; R298-D300 IonicContact CZ-OD2 3.87Å; R298-D300 IonicContact NH2-OD2 3.67Å; R298-D300 PolarHBondContact O-N 2.94Å; R298-D300 VanDerWaalsContact O-N 3.15Å; R298-H301 PolarHBondContact N-ND1 3.42Å; R298-H301 WeakPolarHBondContact O-CB 3.46Å; R298-H301 PolarHBondContact O-N 2.83Å; R298-H320 WeakPolarHBondContact CD-ND1 3.35Å; R298-H320 HydrophobicContact CG-CB 3.83Å; R298-N322 VanDerWaalsContact CB-OD1 3.24Å; R298-N322 WeakPolarHBondContact CB-OD1 3.1Å; R298-N322 WeakPolarHBondContact CG-OD1 3.04Å; R298-F334 VanDerWaalsContact C-CZ 3.42Å
299P96.8Very high96.7Very high3 Ų330.9 Ų30.92%0.01916%0.158CC..G310 helixtrans-52-34.7169.6-30.341.1000112.9H301 C302 I303 N322 V325 Q331 F334P299-H301 PolarHBondContact O-N 2.76Å; P299-C302 PolarHBondContact O-N 3.28Å; P299-I303 HydrophobicContact CB-CG2 3.86Å; P299-I303 WeakPolarHBondContact O-CG2 3.47Å; P299-I303 PolarHBondContact O-N 3.47Å; P299-N322 WeakPolarHBondContact CD-OD1 3.32Å; P299-V325 HydrophobicContact CG-CB 4.39Å; P299-V325 HydrophobicContact CG-CG1 3.91Å; P299-V325 HydrophobicContact CG-CG2 3.74Å; P299-Q331 HydrophobicContact CB-CG 3.9Å; P299-Q331 HydrophobicContact CG-CG 4.14Å; P299-F334 HydrophobicContact CB-CE2 4.46Å; P299-F334 HydrophobicContact CB-CZ 4.38Å; P299-F334 HydrophobicContact CG-CD1 4.1Å; P299-F334 HydrophobicContact CG-CD2 4.44Å; P299-F334 HydrophobicContact CG-CE1 3.83Å; P299-F334 HydrophobicContact CG-CE2 4.19Å; P299-F334 HydrophobicContact CG-CG 4.4Å; P299-F334 HydrophobicContact CG-CZ 3.9Å; P299-F334 VanDerWaalsContact N-CZ 3.28Å
300D95.4Very high96.7Very high8 Ų831.6 Ų31.64%0.04316%0.163CC..G310 helixtrans-55-19.5177.4-53.9-96.9000112.6R298 N307 N322 R323R298-D300 HydrophobicContact CB-CB 4.44Å; R298-D300 IonicContact CZ-OD2 3.87Å; R298-D300 IonicContact NH2-OD2 3.67Å; R298-D300 PolarHBondContact O-N 2.94Å; R298-D300 VanDerWaalsContact O-N 3.15Å; D300-N307 PolarHBondContact O-ND2 3.23Å; D300-N307 VanDerWaalsContact O-ND2 3.08Å; D300-N322 PolarHBondContact OD2-ND2 3.3Å; D300-R323 IonicContact OD1-CZ 2.9Å; D300-R323 IonicContact OD1-NE 3.88Å; D300-R323 PolarHBondContact OD1-NE 2.88Å; D300-R323 IonicContact OD1-NH2 2.72Å; D300-R323 PolarHBondContact OD1-NH2 2.93Å; D300-R323 IonicContact OD2-NE 3.8Å
301H97.1Very high96.7Very high1 Ų128.8 Ų28.81%0.00515%0.146CC..G310 helixtrans-83.8-10.3175.6-58.5141.5000115.7N296 Y297 R298 P299 S306 N307 C308N296-H301 PolarHBondContact O-CE1 3.36Å; N296-H301 VanDerWaalsContact O-CE1 3.32Å; Y297-H301 WeakPolarHBondContact CA-ND1 3.4Å; Y297-H301 HydrophobicContact CD2-CB 4.01Å; Y297-H301 AromaticContact CD2-ND1 3.69Å; Y297-H301 HydrophobicContact CE1-CB 4.14Å; Y297-H301 HydrophobicContact CE2-CB 3.59Å; Y297-H301 HydrophobicContact CG-CB 4.49Å; Y297-H301 AromaticContact CG-ND1 3.84Å; R298-H301 PolarHBondContact N-ND1 3.42Å; R298-H301 WeakPolarHBondContact O-CB 3.46Å; R298-H301 PolarHBondContact O-N 2.83Å; P299-H301 PolarHBondContact O-N 2.76Å; H301-S306 VanDerWaalsContact O-CA 3.3Å; H301-S306 WeakPolarHBondContact O-CA 3.3Å; H301-N307 WeakPolarHBondContact CA-OD1 3.45Å; H301-N307 PolarHBondContact CD2-OD1 3.2Å; H301-N307 PolarHBondContact O-N 2.99Å; H301-C308 HydrophobicContact CB-CB 4.07Å
302C96.4Very high96.6Very high0 Ų032.1 Ų32.10%016%0.161CC..THydrogen-bonded Turntrans-138.6-9-178.453.90000115.2Y297 P299 Y304 G305 Y369 C370Y297-C302 WeakPolarHBondContact OH-CB 3.35Å; P299-C302 PolarHBondContact O-N 3.28Å; C302-Y304 PolarHBondContact O-N 2.88Å; C302-Y304 VanDerWaalsContact O-N 3.08Å; C302-G305 WeakPolarHBondContact CA-O 3.42Å; C302-G305 PolarHBondContact O-N 3.33Å; C302-G305 VanDerWaalsContact O-N 3.11Å; C302-Y369 WeakPolarHBondContact O-CB 3.46Å; C302-C370 HydrophobicContact CB-CB 3.92Å; C302-C370 WeakPolarHBondContact CB-SG 3.42Å; C302-C370 VanDerWaalsContact SG-CA 3.55Å; C302-C370 WeakPolarHBondContact SG-CB 3.23Å; C302-C370 CovalentContact SG-SG 2.03Å; C302-C370 PolarHBondContact SG-SG 3.24Å
303I94.1Very high96.5Very high42 Ų4235.1 Ų35.122%0.21517%0.172CC..THydrogen-bonded Turntrans-60.3-21.8-177.357.4171.5000114.3P299 Y369P299-I303 HydrophobicContact CB-CG2 3.86Å; P299-I303 WeakPolarHBondContact O-CG2 3.47Å; P299-I303 PolarHBondContact O-N 3.47Å; I303-Y369 WeakPolarHBondContact O-CD2 3.28Å
304Y91.7Very high96.5Very high177 Ų17738.5 Ų38.569%0.69419%0.187SC*.THydrogen-bonded Turntrans-123.122.3177.9-59.4-56.9000112.5I209 C302I209-Y304 HydrophobicContact CD1-CD2 4.48Å; C302-Y304 PolarHBondContact O-N 2.88Å; C302-Y304 VanDerWaalsContact O-N 3.08Å
305G91.6Very high96.5Very high25 Ų2538.4 Ų38.426%0.25819%0.187SC..SBendtrans98159-163.700000111.5C302 N307C302-G305 WeakPolarHBondContact CA-O 3.42Å; C302-G305 PolarHBondContact O-N 3.33Å; C302-G305 VanDerWaalsContact O-N 3.11Å; G305-N307 PolarHBondContact O-N 2.68Å
306S94.3Very high96.5Very high46 Ų4637.5 Ų37.532%0.32218%0.184SC..  trans-66.5129.3-176.8-172.10000111.5H301 E312H301-S306 VanDerWaalsContact O-CA 3.3Å; H301-S306 WeakPolarHBondContact O-CA 3.3Å; S306-E312 WeakPolarHBondContact CB-OE1 2.91Å; S306-E312 PolarHBondContact OG-OE1 2.8Å
307N95.5Very high96.5Very high44 Ų4437.7 Ų37.724%0.23518%0.184CC..  trans-1287.2176.667.730.6000113.6E205 D300 H301 G305E205-N307 VanDerWaalsContact CB-O 3.3Å; E205-N307 WeakPolarHBondContact CB-O 3.35Å; E205-N307 WeakPolarHBondContact CG-O 3.37Å; D300-N307 PolarHBondContact O-ND2 3.23Å; D300-N307 VanDerWaalsContact O-ND2 3.08Å; H301-N307 WeakPolarHBondContact CA-OD1 3.45Å; H301-N307 PolarHBondContact CD2-OD1 3.2Å; H301-N307 PolarHBondContact O-N 2.99Å; G305-N307 PolarHBondContact O-N 2.68Å
308C97.4Very high96.5Very high1 Ų137.7 Ų37.71%0.00718%0.184CC..  trans-106.692.8177.4175.60000109.5C293 Y297 H301 Q310 A311 E312C293-C308 HydrophobicContact CB-CB 3.96Å; C293-C308 WeakPolarHBondContact CB-SG 3.28Å; C293-C308 WeakPolarHBondContact SG-CA 3.2Å; C293-C308 WeakPolarHBondContact SG-CB 3.5Å; C293-C308 CovalentContact SG-SG 2.02Å; C293-C308 PolarHBondContact SG-SG 3.36Å; Y297-C308 HydrophobicContact CD2-CB 4.17Å; Y297-C308 HydrophobicContact CE2-CB 3.87Å; H301-C308 HydrophobicContact CB-CB 4.07Å; C308-Q310 VanDerWaalsContact C-N 3.32Å; C308-Q310 PolarHBondContact O-N 3.01Å; C308-A311 HydrophobicContact CB-CB 4.07Å; C308-A311 PolarHBondContact O-N 2.6Å; C308-A311 VanDerWaalsContact O-N 3.15Å; C308-A311 WeakPolarHBondContact SG-CB 3.46Å; C308-E312 PolarHBondContact O-N 2.69Å
309Q96.9Very high96.6Very high125 Ų12537.5 Ų37.558%0.58418%0.183SC*.Hα-helixtrans-58.3-43.7-173.7179.9179.8-10.100112.4A311 E312 E313Q309-A311 VanDerWaalsContact C-N 3.27Å; Q309-A311 PolarHBondContact O-N 3.26Å; Q309-E312 WeakPolarHBondContact O-CB 3.36Å; Q309-E312 PolarHBondContact O-N 2.85Å; Q309-E312 VanDerWaalsContact O-N 3.12Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.35Å; Q309-E313 PolarHBondContact NE2-OE1 3.35Å; Q309-E313 PolarHBondContact O-N 3.37Å; Q309-E313 VanDerWaalsContact O-N 3.13Å
310Q97.9Very high96.6Very high59 Ų5937.5 Ų37.528%0.27618%0.183SC..Hα-helixtrans-68.2-28.4-177.6-65.582.42.400112P292 Q294 C308 E313 E314P292-Q310 HydrophobicContact CB-CB 4.2Å; P292-Q310 HydrophobicContact CB-CG 4.03Å; Q294-Q310 VanDerWaalsContact CD-CB 3.5Å; C308-Q310 VanDerWaalsContact C-N 3.32Å; C308-Q310 PolarHBondContact O-N 3.01Å; Q310-E313 PolarHBondContact O-N 2.89Å; Q310-E314 WeakPolarHBondContact O-CB 3.24Å; Q310-E314 PolarHBondContact O-N 2.84Å
311A97.9Very high96.8Very high0 Ų037.1 Ų37.10%018%0.181CC..Hα-helixtrans-69.1-35.5171.600000112.2Q294 Y297 C308 Q309 E313 G315 V316 L376Q294-A311 HydrophobicContact CB-CB 3.99Å; Y297-A311 HydrophobicContact CD2-CB 3.75Å; Y297-A311 HydrophobicContact CE2-CB 3.67Å; C308-A311 HydrophobicContact CB-CB 4.07Å; C308-A311 PolarHBondContact O-N 2.6Å; C308-A311 VanDerWaalsContact O-N 3.15Å; C308-A311 WeakPolarHBondContact SG-CB 3.46Å; Q309-A311 VanDerWaalsContact C-N 3.27Å; Q309-A311 PolarHBondContact O-N 3.26Å; A311-E313 VanDerWaalsContact C-N 3.33Å; A311-G315 CarbonylContact O-C 3.2Å; A311-G315 WeakPolarHBondContact O-CA 3.37Å; A311-G315 PolarHBondContact O-N 2.69Å; A311-V316 HydrophobicContact CB-CG2 4.25Å; A311-L376 HydrophobicContact CB-CD1 4.5Å
312E97.4Very high96.7Very high70 Ų7037.9 Ų37.933%0.32719%0.186SC..Hα-helixtrans-59.9-45.6172-66.7-69.1158.800111.1S306 C308 Q309 L376 K379S306-E312 WeakPolarHBondContact CB-OE1 2.91Å; S306-E312 PolarHBondContact OG-OE1 2.8Å; C308-E312 PolarHBondContact O-N 2.69Å; Q309-E312 WeakPolarHBondContact O-CB 3.36Å; Q309-E312 PolarHBondContact O-N 2.85Å; Q309-E312 VanDerWaalsContact O-N 3.12Å; E312-L376 WeakPolarHBondContact OE1-CD1 3.31Å; E312-K379 PolarHBondContact O-NZ 2.96Å
313E97.1Very high96.6Very high109 Ų10945.8 Ų45.851%0.50922%0.215SC..Hα-helixtrans-70.7-40.2-177.4-69.3173.9-169.700112.5Q309 Q310 A311 K379Q309-E313 WeakPolarHBondContact CG-OE1 3.35Å; Q309-E313 PolarHBondContact NE2-OE1 3.35Å; Q309-E313 PolarHBondContact O-N 3.37Å; Q309-E313 VanDerWaalsContact O-N 3.13Å; Q310-E313 PolarHBondContact O-N 2.89Å; A311-E313 VanDerWaalsContact C-N 3.33Å; E313-K379 VanDerWaalsContact O-CE 3.27Å; E313-K379 WeakPolarHBondContact O-CE 3.17Å; E313-K379 PolarHBondContact O-NZ 3.44Å
314E97.1Very high96.7Very high72 Ų7244.8 Ų44.834%0.33622%0.215SC..Hα-helixtrans-121.3-9.5-165.6-66.2-165.980.800115.1Q294 Q310 F317 R380Q294-E314 PolarHBondContact NE2-OE2 3.13Å; Q310-E314 WeakPolarHBondContact O-CB 3.24Å; Q310-E314 PolarHBondContact O-N 2.84Å; E314-F317 HydrophobicContact CB-CE1 3.94Å; E314-F317 HydrophobicContact CB-CZ 3.83Å; E314-R380 PolarHBondContact O-NE 3.4Å; E314-R380 PolarHBondContact O-NH2 3.32Å; E314-R380 IonicContact OE1-NH2 2.71Å
315G98.1Very high97Very high0 Ų036.5 Ų36.50%018%0.183CC..  trans81.7170.8-168.400000112.9Q294 A311 L376Q294-G315 WeakPolarHBondContact CB-O 3.1Å; A311-G315 CarbonylContact O-C 3.2Å; A311-G315 WeakPolarHBondContact O-CA 3.37Å; A311-G315 PolarHBondContact O-N 2.69Å; G315-L376 WeakPolarHBondContact CA-O 3.19Å
316V98.6Very high97.3Very high0 Ų035.4 Ų35.40%017%0.171CC..  trans-78.7133.7175.9176.30000110.5L179 Y297 A311 L319 L376 F377L179-V316 HydrophobicContact CD1-CB 4.03Å; L179-V316 HydrophobicContact CD1-CG1 3.86Å; Y297-V316 VanDerWaalsContact CB-CG1 3.48Å; Y297-V316 HydrophobicContact CD1-CG1 4.47Å; Y297-V316 HydrophobicContact CD1-CG2 3.85Å; Y297-V316 HydrophobicContact CD2-CG2 3.64Å; Y297-V316 HydrophobicContact CE1-CG2 4.24Å; Y297-V316 HydrophobicContact CE2-CG2 4.01Å; Y297-V316 HydrophobicContact CG-CB 4.43Å; Y297-V316 HydrophobicContact CG-CG1 4.02Å; Y297-V316 HydrophobicContact CG-CG2 3.53Å; A311-V316 HydrophobicContact CB-CG2 4.25Å; V316-L319 HydrophobicContact CG1-CB 4.26Å; V316-L319 HydrophobicContact CG1-CD1 4.21Å; V316-L376 HydrophobicContact CG2-CB 4.17Å; V316-L376 PolarHBondContact N-O 3.08Å; V316-F377 HydrophobicContact CB-CD1 4.22Å; V316-F377 HydrophobicContact CG2-CD1 3.76Å; V316-F377 HydrophobicContact CG2-CE1 4.03Å
317F98.6Very high97.4Very high4 Ų438.1 Ų38.12%0.01818%0.179CC..SBendtrans-98.7-43.8179.2-66.1-3.6000111.8L179 R180 Q294 W295 E314 R380L179-F317 PolarHBondContact N-O 2.87Å; R180-F317 VanDerWaalsContact CD-CB 3.41Å; R180-F317 HydrophobicContact CG-CB 3.97Å; R180-F317 HydrophobicContact CG-CG 4.36Å; R180-F317 VanDerWaalsContact NH1-CD2 3.33Å; Q294-F317 HydrophobicContact CB-CG 4.45Å; Q294-F317 HydrophobicContact CG-CB 4.31Å; Q294-F317 HydrophobicContact CG-CD1 3.98Å; Q294-F317 HydrophobicContact CG-CD2 3.46Å; Q294-F317 VanDerWaalsContact CG-CD2 3.46Å; Q294-F317 HydrophobicContact CG-CE1 4.08Å; Q294-F317 HydrophobicContact CG-CE2 3.6Å; Q294-F317 HydrophobicContact CG-CG 3.66Å; Q294-F317 HydrophobicContact CG-CZ 3.91Å; Q294-F317 WeakPolarHBondContact O-CA 2.9Å; Q294-F317 WeakPolarHBondContact O-CB 3.4Å; Q294-F317 PolarHBondContact O-N 3.15Å; W295-F317 HydrophobicContact CD2-CB 4.3Å; W295-F317 AromaticContact CD2-CD2 3.69Å; W295-F317 HydrophobicContact CD2-CD2 3.69Å; W295-F317 AromaticContact CE2-CD2 3.44Å; W295-F317 VanDerWaalsContact CE2-CD2 3.44Å; W295-F317 AromaticContact CE2-CE2 3.91Å; W295-F317 HydrophobicContact CE3-CB 3.92Å; W295-F317 AromaticContact CE3-CD2 3.93Å; W295-F317 HydrophobicContact CE3-CD2 3.93Å; W295-F317 HydrophobicContact CE3-CG 4.45Å; W295-F317 HydrophobicContact CG-CD2 4.3Å; W295-F317 AromaticContact CH2-CD2 3.78Å; W295-F317 HydrophobicContact CH2-CD2 3.78Å; W295-F317 HydrophobicContact CH2-CE2 4.37Å; W295-F317 AromaticContact CZ2-CD2 3.53Å; W295-F317 HydrophobicContact CZ2-CD2 3.53Å; W295-F317 AromaticContact CZ2-CE2 3.83Å; W295-F317 HydrophobicContact CZ2-CE2 3.83Å; W295-F317 HydrophobicContact CZ3-CB 4.14Å; W295-F317 AromaticContact CZ3-CD2 3.95Å; W295-F317 HydrophobicContact CZ3-CD2 3.95Å; W295-F317 HydrophobicContact CZ3-CG 4.48Å; W295-F317 AromaticContact NE1-CD2 3.87Å; E314-F317 HydrophobicContact CB-CE1 3.94Å; E314-F317 HydrophobicContact CB-CZ 3.83Å; F317-R380 HydrophobicContact CD1-CB 4.11Å; F317-R380 HydrophobicContact CD1-CG 3.72Å; F317-R380 HydrophobicContact CE1-CB 4.32Å; F317-R380 HydrophobicContact CE1-CG 3.87Å
318I98.8Very high97.3Very high1 Ų137.9 Ų37.91%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-132121.3175.8-59-180000107.5I176 F178 I185 V230 Q294 W295 Y297I176-I318 HydrophobicContact CD1-CG2 4.3Å; I176-I318 HydrophobicContact CG2-CG2 3.42Å; I176-I318 VanDerWaalsContact CG2-CG2 3.42Å; F178-I318 HydrophobicContact CD1-CD1 3.94Å; F178-I318 HydrophobicContact CD1-CG1 3.94Å; F178-I318 HydrophobicContact CE1-CD1 3.71Å; F178-I318 HydrophobicContact CE1-CG1 4.23Å; I185-I318 HydrophobicContact CB-CD1 4.47Å; I185-I318 HydrophobicContact CD1-CD1 3.63Å; I185-I318 HydrophobicContact CG2-CD1 4.34Å; V230-I318 HydrophobicContact CG1-CD1 4.09Å; V230-I318 HydrophobicContact CG2-CG2 4.01Å; Q294-I318 PolarHBondContact O-N 3.19Å; W295-I318 HydrophobicContact CE3-CD1 4.01Å; W295-I318 HydrophobicContact CE3-CG1 4.24Å; W295-I318 WeakPolarHBondContact O-CB 3.16Å; Y297-I318 PolarHBondContact N-O 3.29Å
319L98.8Very high97.1Very high0 Ų043.7 Ų43.70%021%0.208CC..EExtended strand (participates in β ladder)trans-94.6131.5177.3-170.272.5000109I177 L179 Y297 V316 Y326 F334 V337 F377I177-L319 HydrophobicContact CB-CB 4.36Å; I177-L319 PolarHBondContact N-O 3.39Å; I177-L319 PolarHBondContact O-N 3.01Å; L179-L319 HydrophobicContact CD1-CB 4.26Å; Y297-L319 HydrophobicContact CD1-CD1 3.94Å; V316-L319 HydrophobicContact CG1-CB 4.26Å; V316-L319 HydrophobicContact CG1-CD1 4.21Å; L319-Y326 HydrophobicContact CD2-CE1 4.36Å; L319-Y326 PolarHBondContact O-OH 3.17Å; L319-F334 HydrophobicContact CD1-CD1 3.76Å; L319-F334 HydrophobicContact CD1-CE1 3.32Å; L319-F334 HydrophobicContact CD1-CE2 4.43Å; L319-F334 HydrophobicContact CD1-CG 4.47Å; L319-F334 HydrophobicContact CD1-CZ 3.7Å; L319-F334 HydrophobicContact CD2-CD1 4.06Å; L319-F334 HydrophobicContact CD2-CE1 4.46Å; L319-F334 HydrophobicContact CG-CD1 3.83Å; L319-F334 HydrophobicContact CG-CE1 3.8Å; L319-V337 HydrophobicContact CD2-CB 3.68Å; L319-V337 HydrophobicContact CD2-CG1 3.65Å; L319-V337 HydrophobicContact CD2-CG2 3.99Å; L319-F377 HydrophobicContact CD1-CD1 3.96Å; L319-F377 HydrophobicContact CD1-CE1 3.66Å; L319-F377 HydrophobicContact CD1-CZ 4.19Å
320H98.8Very high97Very high4 Ų445 Ų452%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-119.5112.7-178.1178-178.6000109.9D173 D175 I176 N227 N296 Y297 R298 N322 F334D173-H320 IonicContact OD2-NE2 2.69Å; D175-H320 IonicContact OD1-CD2 3.35Å; D175-H320 PolarHBondContact OD1-CD2 3.48Å; D175-H320 IonicContact OD1-NE2 2.8Å; D175-H320 PolarHBondContact OD1-NE2 3.39Å; I176-H320 HydrophobicContact CD1-CB 3.46Å; I176-H320 VanDerWaalsContact CD1-CB 3.46Å; I176-H320 VanDerWaalsContact CD1-CG 3.47Å; N227-H320 PolarHBondContact OD1-CE1 2.9Å; N296-H320 VanDerWaalsContact OD1-CB 3.31Å; N296-H320 WeakPolarHBondContact OD1-CB 3.42Å; N296-H320 PolarHBondContact OD1-ND1 3.3Å; Y297-H320 PolarHBondContact O-N 3.15Å; R298-H320 WeakPolarHBondContact CD-ND1 3.35Å; R298-H320 HydrophobicContact CG-CB 3.83Å; H320-N322 PolarHBondContact CD2-N 3.33Å; H320-N322 PolarHBondContact O-N 3.47Å; H320-N322 VanDerWaalsContact O-N 3.08Å; H320-N322 PolarHBondContact O-OD1 2.73Å; H320-F334 WeakPolarHBondContact O-CE1 3.11Å
321G98.1Very high96.9Very high0 Ų043.3 Ų43.30%020%0.204CC..  trans-78.732-177.700000115.6D175 G324 V325 Y326D175-G321 PolarHBondContact O-N 2.81Å; G321-G324 PolarHBondContact O-N 2.9Å; G321-V325 WeakPolarHBondContact O-CG2 3.35Å; G321-V325 PolarHBondContact O-N 3.12Å; G321-Y326 VanDerWaalsContact CA-CZ 3.46Å; G321-Y326 PolarHBondContact N-OH 3.17Å
322N96Very high96.9Very high17 Ų1744.2 Ų44.29%0.09121%0.21CC..G310 helixtrans-55.2157.1-176.865.9-56.1000111.9D175 R298 P299 D300 H320 G324D175-N322 WeakPolarHBondContact OD2-CA 3.41Å; D175-N322 PolarHBondContact OD2-N 3.22Å; R298-N322 VanDerWaalsContact CB-OD1 3.24Å; R298-N322 WeakPolarHBondContact CB-OD1 3.1Å; R298-N322 WeakPolarHBondContact CG-OD1 3.04Å; P299-N322 WeakPolarHBondContact CD-OD1 3.32Å; D300-N322 PolarHBondContact OD2-ND2 3.3Å; H320-N322 PolarHBondContact CD2-N 3.33Å; H320-N322 PolarHBondContact O-N 3.47Å; H320-N322 VanDerWaalsContact O-N 3.08Å; H320-N322 PolarHBondContact O-OD1 2.73Å; N322-G324 PolarHBondContact O-N 2.72Å
323R93.8Very high96.9Very high166 Ų16640.9 Ų40.963%0.62619%0.194SC*.G310 helixtrans6617.6-171.2-46.8167.4178.2-91.15.8112.9D300 V325 N328D300-R323 IonicContact OD1-CZ 2.9Å; D300-R323 IonicContact OD1-NE 3.88Å; D300-R323 PolarHBondContact OD1-NE 2.88Å; D300-R323 IonicContact OD1-NH2 2.72Å; D300-R323 PolarHBondContact OD1-NH2 2.93Å; D300-R323 IonicContact OD2-NE 3.8Å; R323-V325 VanDerWaalsContact C-N 3.34Å; R323-V325 HydrophobicContact CB-CG1 4.48Å; R323-N328 PolarHBondContact O-ND2 3.15Å
324G96.2Very high97Very high21 Ų2135.7 Ų35.722%0.21617%0.17CC..G310 helixtrans6930.3173.800000113.2G321 N322 Y326 H327 N328G321-G324 PolarHBondContact O-N 2.9Å; N322-G324 PolarHBondContact O-N 2.72Å; G324-Y326 PolarHBondContact O-N 3.15Å; G324-H327 PolarHBondContact O-N 2.58Å; G324-N328 PolarHBondContact O-ND2 3.46Å
325V97.3Very high97.1Very high3 Ų336.2 Ų36.22%0.01817%0.169CC..G310 helixtrans-70.2-14-170.3-69.90000114.4P299 G321 R323 H327 Q331 F334P299-V325 HydrophobicContact CG-CB 4.39Å; P299-V325 HydrophobicContact CG-CG1 3.91Å; P299-V325 HydrophobicContact CG-CG2 3.74Å; G321-V325 WeakPolarHBondContact O-CG2 3.35Å; G321-V325 PolarHBondContact O-N 3.12Å; R323-V325 VanDerWaalsContact C-N 3.34Å; R323-V325 HydrophobicContact CB-CG1 4.48Å; V325-H327 VanDerWaalsContact C-N 3.27Å; V325-Q331 HydrophobicContact CB-CB 3.91Å; V325-Q331 HydrophobicContact CB-CG 4.18Å; V325-Q331 HydrophobicContact CG1-CB 3.97Å; V325-Q331 HydrophobicContact CG1-CG 3.66Å; V325-Q331 HydrophobicContact CG2-CB 4.49Å; V325-F334 HydrophobicContact CB-CB 4.43Å; V325-F334 HydrophobicContact CG2-CB 3.79Å; V325-F334 HydrophobicContact CG2-CD1 3.91Å; V325-F334 HydrophobicContact CG2-CG 3.99Å
326Y97.9Very high97.1Very high2 Ų236.8 Ų36.81%0.00817%0.174CC..G310 helixtrans-70.7-25.6169.5-59.5-28.9000112.7D175 I177 L319 G321 G324 F334 R335 Y338D175-Y326 HydrophobicContact CB-CD2 4.12Å; D175-Y326 HydrophobicContact CB-CE2 3.99Å; D175-Y326 WeakPolarHBondContact O-CE2 2.91Å; D175-Y326 PolarHBondContact O-OH 3.09Å; I177-Y326 HydrophobicContact CG1-CE2 4.08Å; I177-Y326 WeakPolarHBondContact CG1-OH 3.48Å; L319-Y326 HydrophobicContact CD2-CE1 4.36Å; L319-Y326 PolarHBondContact O-OH 3.17Å; G321-Y326 VanDerWaalsContact CA-CZ 3.46Å; G321-Y326 PolarHBondContact N-OH 3.17Å; G324-Y326 PolarHBondContact O-N 3.15Å; Y326-F334 HydrophobicContact CD1-CB 4.1Å; Y326-F334 WeakPolarHBondContact CD1-O 3.37Å; Y326-F334 HydrophobicContact CE1-CB 3.88Å; Y326-F334 HydrophobicContact CE1-CD1 4.19Å; Y326-F334 WeakPolarHBondContact CE1-O 3.41Å; Y326-R335 VanDerWaalsContact O-CD 3.31Å; Y326-R335 WeakPolarHBondContact O-CD 3.27Å; Y326-R335 VanDerWaalsContact O-CG 3.29Å; Y326-R335 WeakPolarHBondContact O-CG 3.27Å; Y326-Y338 VanDerWaalsContact CD1-CB 3.49Å; Y326-Y338 HydrophobicContact CD1-CD2 4.49Å; Y326-Y338 HydrophobicContact CD1-CG 4.11Å; Y326-Y338 AromaticContact CD2-CD2 3.44Å; Y326-Y338 HydrophobicContact CD2-CD2 3.44Å; Y326-Y338 VanDerWaalsContact CD2-CD2 3.44Å; Y326-Y338 HydrophobicContact CD2-CE2 4.08Å; Y326-Y338 AromaticContact CD2-CG 3.83Å; Y326-Y338 HydrophobicContact CD2-CG 3.83Å; Y326-Y338 AromaticContact CE2-CD2 3.85Å; Y326-Y338 HydrophobicContact CE2-CD2 3.85Å; Y326-Y338 HydrophobicContact CE2-CG 4.39Å; Y326-Y338 HydrophobicContact CG-CD1 4.35Å; Y326-Y338 AromaticContact CG-CD2 3.79Å; Y326-Y338 HydrophobicContact CG-CD2 3.79Å; Y326-Y338 AromaticContact CG-CG 3.66Å; Y326-Y338 HydrophobicContact CG-CG 3.66Å
327H96.5Very high97.1Very high103 Ų10336.8 Ų36.848%0.47717%0.174SC..G310 helixtrans-112.614.4-171.8-50.3-64.6000113.2E83 G324 V325 Y338E83-H327 IonicContact OE2-CD2 2.73Å; E83-H327 PolarHBondContact OE2-CD2 3.12Å; E83-H327 IonicContact OE2-CE1 2.65Å; E83-H327 IonicContact OE2-NE2 3.14Å; E83-H327 PolarHBondContact OE2-NE2 2.88Å; G324-H327 PolarHBondContact O-N 2.58Å; V325-H327 VanDerWaalsContact C-N 3.27Å; H327-Y338 AromaticContact CE1-CZ 3.95Å
328N94.1Very high97.1Very high38 Ų3836.7 Ų36.720%0.20317%0.173CC..SBendtrans-143.4177177.168.753.2000111.4R323 G324 K330 R335R323-N328 PolarHBondContact O-ND2 3.15Å; G324-N328 PolarHBondContact O-ND2 3.46Å; N328-K330 WeakPolarHBondContact OD1-CB 3.32Å; N328-K330 WeakPolarHBondContact OD1-CG 3.42Å; N328-K330 PolarHBondContact OD1-N 2.9Å; N328-R335 PolarHBondContact O-NH1 3.08Å
329D93.4Very high97.1Very high124 Ų12439 Ų3966%0.66319%0.185SC*.SBendtrans-94.39-176.9-59.8-56.2000114.1R335D329-R335 IonicContact OD1-CZ 2.7Å; D329-R335 VanDerWaalsContact OD1-CZ 3.26Å; D329-R335 IonicContact OD1-NH1 2.66Å; D329-R335 PolarHBondContact OD1-NH1 2.94Å; D329-R335 IonicContact OD1-NH2 2.75Å; D329-R335 PolarHBondContact OD1-NH2 3.34Å
330K94.3Very high97.1Very high151 Ų15139.7 Ų39.766%0.65719%0.19SC*.SBendtrans-72.6-35.7-175-63179.6179.9175.60112.6N328N328-K330 WeakPolarHBondContact OD1-CB 3.32Å; N328-K330 WeakPolarHBondContact OD1-CG 3.42Å; N328-K330 PolarHBondContact OD1-N 2.9Å
331Q96.8Very high97.1Very high25 Ų2539.6 Ų39.612%0.11719%0.189CC..  trans-134.578.2179.1-55.1-63.2-24.900110.5P299 V325 A333 F334 R335 C370P299-Q331 HydrophobicContact CB-CG 3.9Å; P299-Q331 HydrophobicContact CG-CG 4.14Å; V325-Q331 HydrophobicContact CB-CB 3.91Å; V325-Q331 HydrophobicContact CB-CG 4.18Å; V325-Q331 HydrophobicContact CG1-CB 3.97Å; V325-Q331 HydrophobicContact CG1-CG 3.66Å; V325-Q331 HydrophobicContact CG2-CB 4.49Å; Q331-A333 PolarHBondContact O-N 3.18Å; Q331-A333 VanDerWaalsContact O-N 3.15Å; Q331-F334 HydrophobicContact CB-CB 4.16Å; Q331-F334 HydrophobicContact CB-CD2 3.98Å; Q331-F334 HydrophobicContact CB-CG 4.32Å; Q331-F334 WeakPolarHBondContact O-CB 3.29Å; Q331-F334 PolarHBondContact O-N 3.16Å; Q331-R335 PolarHBondContact O-N 3.47Å; Q331-C370 PolarHBondContact OE1-SG 3.38Å
332P97.4Very high97.1Very high18 Ų1842.4 Ų42.412%0.11720%0.202CC..Hα-helixtrans-61.4-27.8-174.723.8-33.6000112.9R335 A336 T365P332-R335 PolarHBondContact O-N 3.33Å; P332-A336 WeakPolarHBondContact O-CB 3.48Å; P332-A336 PolarHBondContact O-N 3.49Å; P332-T365 HydrophobicContact CB-CG2 3.92Å; P332-T365 HydrophobicContact CG-CG2 4.29Å
333A98.2Very high97.2Very high0 Ų048.1 Ų48.10%023%0.228CC..Hα-helixtrans-65.9-37.1175.900000112.8Q331 A336 V337 L362 T365 F377Q331-A333 PolarHBondContact O-N 3.18Å; Q331-A333 VanDerWaalsContact O-N 3.15Å; A333-A336 PolarHBondContact O-N 3.14Å; A333-V337 PolarHBondContact O-N 3.41Å; A333-L362 HydrophobicContact CB-CD2 4.06Å; A333-T365 HydrophobicContact CB-CG2 4.37Å; A333-T365 WeakPolarHBondContact CB-OG1 3.3Å; A333-F377 HydrophobicContact CB-CE2 3.82Å
334F98.6Very high97.4Very high0 Ų040.6 Ų40.60%020%0.199CC..Hα-helixtrans-67.9-45.3174.2-83.7-112.6000110.7Y297 R298 P299 L319 H320 V325 Y326 Q331 A336 V337 Y338 C370 F377Y297-F334 AromaticContact CD1-CZ 3.87Å; Y297-F334 HydrophobicContact CD1-CZ 3.87Å; Y297-F334 HydrophobicContact CE1-CE2 4.43Å; Y297-F334 AromaticContact CE1-CZ 3.93Å; Y297-F334 HydrophobicContact CE1-CZ 3.93Å; R298-F334 VanDerWaalsContact C-CZ 3.42Å; P299-F334 HydrophobicContact CB-CE2 4.46Å; P299-F334 HydrophobicContact CB-CZ 4.38Å; P299-F334 HydrophobicContact CG-CD1 4.1Å; P299-F334 HydrophobicContact CG-CD2 4.44Å; P299-F334 HydrophobicContact CG-CE1 3.83Å; P299-F334 HydrophobicContact CG-CE2 4.19Å; P299-F334 HydrophobicContact CG-CG 4.4Å; P299-F334 HydrophobicContact CG-CZ 3.9Å; P299-F334 VanDerWaalsContact N-CZ 3.28Å; L319-F334 HydrophobicContact CD1-CD1 3.76Å; L319-F334 HydrophobicContact CD1-CE1 3.32Å; L319-F334 HydrophobicContact CD1-CE2 4.43Å; L319-F334 HydrophobicContact CD1-CG 4.47Å; L319-F334 HydrophobicContact CD1-CZ 3.7Å; L319-F334 HydrophobicContact CD2-CD1 4.06Å; L319-F334 HydrophobicContact CD2-CE1 4.46Å; L319-F334 HydrophobicContact CG-CD1 3.83Å; L319-F334 HydrophobicContact CG-CE1 3.8Å; H320-F334 WeakPolarHBondContact O-CE1 3.11Å; V325-F334 HydrophobicContact CB-CB 4.43Å; V325-F334 HydrophobicContact CG2-CB 3.79Å; V325-F334 HydrophobicContact CG2-CD1 3.91Å; V325-F334 HydrophobicContact CG2-CG 3.99Å; Y326-F334 HydrophobicContact CD1-CB 4.1Å; Y326-F334 WeakPolarHBondContact CD1-O 3.37Å; Y326-F334 HydrophobicContact CE1-CB 3.88Å; Y326-F334 HydrophobicContact CE1-CD1 4.19Å; Y326-F334 WeakPolarHBondContact CE1-O 3.41Å; Q331-F334 HydrophobicContact CB-CB 4.16Å; Q331-F334 HydrophobicContact CB-CD2 3.98Å; Q331-F334 HydrophobicContact CB-CG 4.32Å; Q331-F334 WeakPolarHBondContact O-CB 3.29Å; Q331-F334 PolarHBondContact O-N 3.16Å; F334-A336 VanDerWaalsContact C-N 3.3Å; F334-A336 PolarHBondContact O-N 3.16Å; F334-V337 PolarHBondContact O-N 3.16Å; F334-Y338 PolarHBondContact O-N 3.28Å; F334-Y338 VanDerWaalsContact O-N 3.13Å; F334-C370 HydrophobicContact CE2-CB 4.29Å; F334-F377 HydrophobicContact CD2-CE2 4.36Å; F334-F377 HydrophobicContact CD2-CZ 4.01Å; F334-F377 HydrophobicContact CE2-CE1 4.39Å; F334-F377 HydrophobicContact CE2-CE2 4.41Å; F334-F377 AromaticContact CE2-CZ 3.63Å; F334-F377 HydrophobicContact CE2-CZ 3.63Å; F334-F377 HydrophobicContact CZ-CZ 4.18Å
335R98.5Very high97.4Very high83 Ų8342.4 Ų42.431%0.31321%0.209SC..Hα-helixtrans-58.7-40.7175.4-178.7172.170.4-166.6-3.2112.1Y326 N328 D329 Q331 P332 V337 Y338 E339Y326-R335 VanDerWaalsContact O-CD 3.31Å; Y326-R335 WeakPolarHBondContact O-CD 3.27Å; Y326-R335 VanDerWaalsContact O-CG 3.29Å; Y326-R335 WeakPolarHBondContact O-CG 3.27Å; N328-R335 PolarHBondContact O-NH1 3.08Å; D329-R335 IonicContact OD1-CZ 2.7Å; D329-R335 VanDerWaalsContact OD1-CZ 3.26Å; D329-R335 IonicContact OD1-NH1 2.66Å; D329-R335 PolarHBondContact OD1-NH1 2.94Å; D329-R335 IonicContact OD1-NH2 2.75Å; D329-R335 PolarHBondContact OD1-NH2 3.34Å; Q331-R335 PolarHBondContact O-N 3.47Å; P332-R335 PolarHBondContact O-N 3.33Å; R335-V337 VanDerWaalsContact C-N 3.31Å; R335-V337 PolarHBondContact O-N 3.09Å; R335-Y338 PolarHBondContact O-N 3.29Å; R335-E339 HydrophobicContact CG-CG 4.05Å; R335-E339 WeakPolarHBondContact O-CB 3.31Å; R335-E339 WeakPolarHBondContact O-CG 3.45Å; R335-E339 PolarHBondContact O-N 3.33Å
336A98.6Very high97.3Very high13 Ų1344.4 Ų44.411%0.10722%0.218CC..Hα-helixtrans-58.3-42.2177.900000112.3P332 A333 F334 A340 L358 A361 L362P332-A336 WeakPolarHBondContact O-CB 3.48Å; P332-A336 PolarHBondContact O-N 3.49Å; A333-A336 PolarHBondContact O-N 3.14Å; F334-A336 VanDerWaalsContact C-N 3.3Å; F334-A336 PolarHBondContact O-N 3.16Å; A336-A340 WeakPolarHBondContact O-CB 3.11Å; A336-A340 PolarHBondContact O-N 3.33Å; A336-L358 HydrophobicContact CB-CD1 4.32Å; A336-A361 HydrophobicContact CB-CB 4.03Å; A336-L362 HydrophobicContact CB-CD2 3.89Å; A336-L362 HydrophobicContact CB-CG 4.48Å
337V98.6Very high97.1Very high0 Ų048.2 Ų48.20%026%0.257CS..Hα-helixtrans-65.4-47.3175.9179.10000111.5I177 L179 L319 A333 F334 R335 E339 A340 I341 L358 L362 F377I177-V337 HydrophobicContact CG2-CG1 4.22Å; L179-V337 HydrophobicContact CD2-CG1 3.86Å; L319-V337 HydrophobicContact CD2-CB 3.68Å; L319-V337 HydrophobicContact CD2-CG1 3.65Å; L319-V337 HydrophobicContact CD2-CG2 3.99Å; A333-V337 PolarHBondContact O-N 3.41Å; F334-V337 PolarHBondContact O-N 3.16Å; R335-V337 VanDerWaalsContact C-N 3.31Å; R335-V337 PolarHBondContact O-N 3.09Å; V337-E339 PolarHBondContact O-N 2.85Å; V337-A340 PolarHBondContact O-N 3.37Å; V337-I341 WeakPolarHBondContact O-CG1 3.42Å; V337-I341 PolarHBondContact O-N 3.4Å; V337-I341 VanDerWaalsContact O-N 3.14Å; V337-L358 HydrophobicContact CB-CD1 4.39Å; V337-L358 HydrophobicContact CG2-CD1 3.96Å; V337-L362 HydrophobicContact CG2-CD2 4.48Å; V337-F377 HydrophobicContact CG2-CB 3.98Å; V337-F377 HydrophobicContact CG2-CD2 3.82Å; V337-F377 HydrophobicContact CG2-CG 4.11Å
338Y98.8Very high97Very high1 Ų147.6 Ų47.60%0.00426%0.255CS..Hα-helixtrans-58.4-48.4177.7171.8-94.5000111.9E83 T86 I177 Y326 H327 F334 R335 A340 I341 K342E83-Y338 WeakPolarHBondContact CA-OH 3.47Å; E83-Y338 HydrophobicContact CG-CE2 4.07Å; T86-Y338 HydrophobicContact CG2-CD2 3.9Å; T86-Y338 HydrophobicContact CG2-CE2 3.66Å; I177-Y338 HydrophobicContact CD1-CD2 4.15Å; Y326-Y338 VanDerWaalsContact CD1-CB 3.49Å; Y326-Y338 HydrophobicContact CD1-CD2 4.49Å; Y326-Y338 HydrophobicContact CD1-CG 4.11Å; Y326-Y338 AromaticContact CD2-CD2 3.44Å; Y326-Y338 HydrophobicContact CD2-CD2 3.44Å; Y326-Y338 VanDerWaalsContact CD2-CD2 3.44Å; Y326-Y338 HydrophobicContact CD2-CE2 4.08Å; Y326-Y338 AromaticContact CD2-CG 3.83Å; Y326-Y338 HydrophobicContact CD2-CG 3.83Å; Y326-Y338 AromaticContact CE2-CD2 3.85Å; Y326-Y338 HydrophobicContact CE2-CD2 3.85Å; Y326-Y338 HydrophobicContact CE2-CG 4.39Å; Y326-Y338 HydrophobicContact CG-CD1 4.35Å; Y326-Y338 AromaticContact CG-CD2 3.79Å; Y326-Y338 HydrophobicContact CG-CD2 3.79Å; Y326-Y338 AromaticContact CG-CG 3.66Å; Y326-Y338 HydrophobicContact CG-CG 3.66Å; H327-Y338 AromaticContact CE1-CZ 3.95Å; F334-Y338 PolarHBondContact O-N 3.28Å; F334-Y338 VanDerWaalsContact O-N 3.13Å; R335-Y338 PolarHBondContact O-N 3.29Å; Y338-A340 PolarHBondContact O-N 3.26Å; Y338-I341 PolarHBondContact O-N 2.78Å; Y338-K342 HydrophobicContact CE1-CD 3.82Å; Y338-K342 VanDerWaalsContact O-CB 3.28Å; Y338-K342 WeakPolarHBondContact O-CB 3.43Å; Y338-K342 PolarHBondContact O-N 3.34Å
339E98.6Very high97Very high51 Ų5149.5 Ų49.524%0.23826%0.264CS..Hα-helixtrans-64.7-39.7179.6-75-60.7147.400112.2R335 V337 I341 K342 Q343R335-E339 HydrophobicContact CG-CG 4.05Å; R335-E339 WeakPolarHBondContact O-CB 3.31Å; R335-E339 WeakPolarHBondContact O-CG 3.45Å; R335-E339 PolarHBondContact O-N 3.33Å; V337-E339 PolarHBondContact O-N 2.85Å; E339-I341 PolarHBondContact O-N 3.36Å; E339-K342 PolarHBondContact O-N 3.48Å; E339-Q343 VanDerWaalsContact O-CB 3.26Å; E339-Q343 WeakPolarHBondContact O-CB 3.28Å; E339-Q343 WeakPolarHBondContact O-CG 3.15Å; E339-Q343 PolarHBondContact O-N 3.38Å; E339-Q343 PolarHBondContact OE2-NE2 3.28Å
340A98.5Very high97.1Very high14 Ų1445 Ų4512%0.11624%0.24CC..Hα-helixtrans-60.3-45.1176.100000111.9A336 V337 Y338 Y344 L354 L358A336-A340 WeakPolarHBondContact O-CB 3.11Å; A336-A340 PolarHBondContact O-N 3.33Å; V337-A340 PolarHBondContact O-N 3.37Å; Y338-A340 PolarHBondContact O-N 3.26Å; A340-Y344 WeakPolarHBondContact O-CB 3.22Å; A340-Y344 PolarHBondContact O-N 2.84Å; A340-L354 HydrophobicContact CB-CD1 4Å; A340-L358 HydrophobicContact CB-CB 3.9Å; A340-L358 HydrophobicContact CB-CD1 3.95Å; A340-L358 HydrophobicContact CB-CG 4.34Å
341I98.4Very high97.2Very high1 Ų141 Ų411%0.00522%0.223CC..Hα-helixtrans-66.9-42.7176.2-64.7-68.2000111.3T86 K89 L93 F94 I177 V337 Y338 E339 Q343 L354T86-I341 HydrophobicContact CG2-CB 4.39Å; T86-I341 HydrophobicContact CG2-CG2 3.94Å; K89-I341 WeakPolarHBondContact CD-O 3.47Å; K89-I341 VanDerWaalsContact CE-O 3.22Å; K89-I341 WeakPolarHBondContact CE-O 3.48Å; K89-I341 PolarHBondContact NZ-O 2.81Å; L93-I341 HydrophobicContact CD1-CD1 3.98Å; L93-I341 HydrophobicContact CD1-CG2 4.17Å; F94-I341 HydrophobicContact CE2-CD1 4.35Å; F94-I341 HydrophobicContact CZ-CD1 4.26Å; I177-I341 HydrophobicContact CD1-CG2 4.46Å; I177-I341 HydrophobicContact CG2-CG1 3.98Å; V337-I341 WeakPolarHBondContact O-CG1 3.42Å; V337-I341 PolarHBondContact O-N 3.4Å; V337-I341 VanDerWaalsContact O-N 3.14Å; Y338-I341 PolarHBondContact O-N 2.78Å; E339-I341 PolarHBondContact O-N 3.36Å; I341-Q343 PolarHBondContact O-N 2.93Å; I341-L354 HydrophobicContact CD1-CD1 3.92Å; I341-L354 HydrophobicContact CD1-CD2 4.27Å
342K98.4Very high97.2Very high59 Ų5942.4 Ų42.426%0.25724%0.236SC..Hα-helixtrans-59.6-45.3178.1178.6177.2162.6175.90111.4E82 T86 K89 Y338 E339E82-K342 WeakPolarHBondContact OE1-CE 3.31Å; E82-K342 IonicContact OE1-NZ 3.94Å; E82-K342 PolarHBondContact OE1-NZ 3.31Å; E82-K342 IonicContact OE2-NZ 3.09Å; E82-K342 PolarHBondContact OE2-NZ 3.05Å; T86-K342 HydrophobicContact CG2-CB 3.88Å; K89-K342 PolarHBondContact NZ-O 3.22Å; Y338-K342 HydrophobicContact CE1-CD 3.82Å; Y338-K342 VanDerWaalsContact O-CB 3.28Å; Y338-K342 WeakPolarHBondContact O-CB 3.43Å; Y338-K342 PolarHBondContact O-N 3.34Å; E339-K342 PolarHBondContact O-N 3.48Å
343Q98.1Very high97.2Very high137 Ų13743.4 Ų43.464%0.6424%0.244SC*.Hα-helixtrans-80.7-27.4-174.3-66.7170.618.200114.1E339 I341 S345E339-Q343 VanDerWaalsContact O-CB 3.26Å; E339-Q343 WeakPolarHBondContact O-CB 3.28Å; E339-Q343 WeakPolarHBondContact O-CG 3.15Å; E339-Q343 PolarHBondContact O-N 3.38Å; E339-Q343 PolarHBondContact OE2-NE2 3.28Å; I341-Q343 PolarHBondContact O-N 2.93Å; Q343-S345 PolarHBondContact O-N 3.44Å
344Y98.2Very high97.2Very high8 Ų843.4 Ų43.43%0.03124%0.244CC..PPolyproline II helixtrans-57.3124.9-178.8171.1-101.2000112.8K89 L93 A340 E348 M350 L354K89-Y344 WeakPolarHBondContact CE-O 3.43Å; K89-Y344 PolarHBondContact NZ-O 3.23Å; L93-Y344 HydrophobicContact CD1-CD1 4.22Å; L93-Y344 HydrophobicContact CD2-CD1 3.67Å; L93-Y344 HydrophobicContact CD2-CE1 3.4Å; L93-Y344 VanDerWaalsContact CD2-CE1 3.4Å; A340-Y344 WeakPolarHBondContact O-CB 3.22Å; A340-Y344 PolarHBondContact O-N 2.84Å; Y344-E348 HydrophobicContact CE2-CB 4Å; Y344-E348 PolarHBondContact OH-O 2.95Å; Y344-M350 HydrophobicContact CE1-CE 4.37Å; Y344-M350 HydrophobicContact CE2-CG 3.99Å; Y344-M350 WeakPolarHBondContact OH-CG 3.17Å; Y344-L354 HydrophobicContact CD2-CB 3.78Å; Y344-L354 HydrophobicContact CE2-CB 4.3Å; Y344-L354 HydrophobicContact CG-CB 4.31Å
345S96.9Very high97.1Very high60 Ų6043.4 Ų43.442%0.4224%0.244SC..PPolyproline II helixtrans-88.1134.7176.9-63.80000111.3Q343 G347 E348Q343-S345 PolarHBondContact O-N 3.44Å; S345-G347 PolarHBondContact O-N 3.1Å; S345-E348 WeakPolarHBondContact O-CB 3.47Å; S345-E348 PolarHBondContact O-N 2.77Å
346F95.8Very high97.1Very high45 Ų4544.5 Ų44.520%0.19725%0.252CS..THydrogen-bonded Turntrans-56.8133.1177.6-73-64.3000111.6K89 V92 L93 W120 P121 V124 E348K89-F346 HydrophobicContact CB-CZ 4.46Å; K89-F346 HydrophobicContact CD-CZ 4.41Å; K89-F346 HydrophobicContact CG-CE1 4.15Å; K89-F346 HydrophobicContact CG-CE2 4.37Å; K89-F346 HydrophobicContact CG-CZ 3.7Å; V92-F346 HydrophobicContact CG2-CE1 4.14Å; V92-F346 HydrophobicContact CG2-CZ 4.05Å; L93-F346 HydrophobicContact CD2-CD1 3.79Å; L93-F346 HydrophobicContact CD2-CE1 3.62Å; L93-F346 HydrophobicContact CG-CE1 4.21Å; W120-F346 HydrophobicContact CB-CE2 4.37Å; W120-F346 AromaticContact CD2-CE2 3.67Å; W120-F346 HydrophobicContact CD2-CE2 3.67Å; W120-F346 HydrophobicContact CD2-CZ 4.04Å; W120-F346 AromaticContact CE2-CE2 3.9Å; W120-F346 HydrophobicContact CE3-CE2 4.11Å; W120-F346 HydrophobicContact CE3-CZ 4.03Å; W120-F346 AromaticContact CG-CE2 3.77Å; W120-F346 HydrophobicContact CG-CE2 3.77Å; W120-F346 HydrophobicContact CZ3-CZ 4.32Å; P121-F346 HydrophobicContact CG-CB 3.87Å; P121-F346 HydrophobicContact CG-CD2 4.3Å; P121-F346 HydrophobicContact CG-CG 4.45Å; V124-F346 HydrophobicContact CG1-CD1 4.41Å; V124-F346 HydrophobicContact CG1-CE1 3.9Å; V124-F346 HydrophobicContact CG1-CE2 4.36Å; V124-F346 HydrophobicContact CG1-CZ 3.86Å; V124-F346 HydrophobicContact CG2-CB 4.12Å; V124-F346 HydrophobicContact CG2-CD1 3.66Å; V124-F346 HydrophobicContact CG2-CD2 4.24Å; V124-F346 HydrophobicContact CG2-CE1 4.01Å; V124-F346 HydrophobicContact CG2-CG 3.77Å; V124-F346 HydrophobicContact CG2-CZ 4.42Å; F346-E348 VanDerWaalsContact C-N 3.35Å
347G92Very high97Very high81 Ų8147 Ų4784%0.83527%0.267SS*.THydrogen-bonded Turntrans90.3-7.6177.800000114.5S345S345-G347 PolarHBondContact O-N 3.1Å
348E95Very high97Very high91 Ų9147 Ų4743%0.42527%0.268SS..SBendtrans-73.5157.6168.5-64.9-173.4174.200111.5Y344 S345 F346 M350 S353Y344-E348 HydrophobicContact CE2-CB 4Å; Y344-E348 PolarHBondContact OH-O 2.95Å; S345-E348 WeakPolarHBondContact O-CB 3.47Å; S345-E348 PolarHBondContact O-N 2.77Å; F346-E348 VanDerWaalsContact C-N 3.35Å; E348-M350 PolarHBondContact O-N 3.43Å; E348-S353 WeakPolarHBondContact OE2-CB 3.43Å; E348-S353 PolarHBondContact OE2-OG 2.94Å
349D95Very high97Very high77 Ų7749.4 Ų49.441%0.41228%0.279SS..  trans-64.9120.1174.7169.461.5000110.6E351 S352 S353D349-E351 VanDerWaalsContact C-N 3.27Å; D349-E351 PolarHBondContact O-N 3.28Å; D349-E351 WeakPolarHBondContact OD2-CB 3.38Å; D349-E351 PolarHBondContact OD2-N 3.01Å; D349-S352 PolarHBondContact O-N 3.1Å; D349-S352 WeakPolarHBondContact OD2-CB 3.4Å; D349-S352 PolarHBondContact OD2-N 3.34Å; D349-S352 PolarHBondContact OD2-OG 2.9Å; D349-S353 VanDerWaalsContact O-CB 3.25Å; D349-S353 WeakPolarHBondContact O-CB 3.45Å; D349-S353 PolarHBondContact O-N 3.01Å
350M95.5Very high97Very high29 Ų2949.7 Ų49.714%0.14329%0.29CS..Hα-helixtrans-68.5-25-174.8-69.9-173.7-177.700113L93 F94 Y344 E348 L354 L355 V385 L388L93-M350 HydrophobicContact CD2-CE 4.19Å; F94-M350 HydrophobicContact CE1-SD 4.19Å; Y344-M350 HydrophobicContact CE1-CE 4.37Å; Y344-M350 HydrophobicContact CE2-CG 3.99Å; Y344-M350 WeakPolarHBondContact OH-CG 3.17Å; E348-M350 PolarHBondContact O-N 3.43Å; M350-L354 WeakPolarHBondContact O-CA 3.1Å; M350-L354 VanDerWaalsContact O-CB 3.28Å; M350-L354 WeakPolarHBondContact O-CB 3.37Å; M350-L354 PolarHBondContact O-N 3.27Å; M350-L354 VanDerWaalsContact O-N 3.11Å; M350-L355 PolarHBondContact O-N 3.31Å; M350-V385 HydrophobicContact CB-CB 4.41Å; M350-V385 HydrophobicContact CB-CG1 3.56Å; M350-V385 HydrophobicContact CB-CG2 4Å; M350-V385 HydrophobicContact SD-CG1 4.4Å; M350-V385 HydrophobicContact SD-CG2 3.97Å; M350-L388 HydrophobicContact CE-CD1 3.71Å; M350-L388 HydrophobicContact SD-CD1 3.75Å
351E95.7Very high97Very high67 Ų6751 Ų5131%0.31330%0.301SS..Iπ-helixtrans-66.8-53.6177.1-173.367.2-151.200110.2D349 L355 Q356D349-E351 VanDerWaalsContact C-N 3.27Å; D349-E351 PolarHBondContact O-N 3.28Å; D349-E351 WeakPolarHBondContact OD2-CB 3.38Å; D349-E351 PolarHBondContact OD2-N 3.01Å; E351-L355 PolarHBondContact O-N 2.79Å; E351-L355 VanDerWaalsContact OE2-CD1 3.26Å; E351-L355 WeakPolarHBondContact OE2-CD1 3.15Å; E351-Q356 WeakPolarHBondContact O-CG 3.35Å; E351-Q356 PolarHBondContact O-N 3.28Å
352S96.5Very high97Very high55 Ų5551.2 Ų51.239%0.38530%0.302SS..Iπ-helixtrans-80.1-33.5-177.155.20000114.6D349 P357D349-S352 PolarHBondContact O-N 3.1Å; D349-S352 WeakPolarHBondContact OD2-CB 3.4Å; D349-S352 PolarHBondContact OD2-N 3.34Å; D349-S352 PolarHBondContact OD2-OG 2.9Å; S352-P357 VanDerWaalsContact O-CD 3.26Å; S352-P357 WeakPolarHBondContact O-CD 3.33Å; S352-P357 WeakPolarHBondContact O-CG 3.22Å
353S97.4Very high96.9Very high39 Ų3955 Ų5527%0.27332%0.32SS..Iπ-helixtrans-98.1-14.6-176.6-71.20000115E348 D349E348-S353 WeakPolarHBondContact OE2-CB 3.43Å; E348-S353 PolarHBondContact OE2-OG 2.94Å; D349-S353 VanDerWaalsContact O-CB 3.25Å; D349-S353 WeakPolarHBondContact O-CB 3.45Å; D349-S353 PolarHBondContact O-N 3.01Å
354L97.4Very high96.9Very high1 Ų151.9 Ų51.91%0.00532%0.319CS..Iπ-helixtrans-121.3-57178.3176.968000112.4F94 A340 I341 Y344 M350 L358F94-L354 HydrophobicContact CE1-CD2 4.41Å; F94-L354 HydrophobicContact CZ-CD2 4.09Å; A340-L354 HydrophobicContact CB-CD1 4Å; I341-L354 HydrophobicContact CD1-CD1 3.92Å; I341-L354 HydrophobicContact CD1-CD2 4.27Å; Y344-L354 HydrophobicContact CD2-CB 3.78Å; Y344-L354 HydrophobicContact CE2-CB 4.3Å; Y344-L354 HydrophobicContact CG-CB 4.31Å; M350-L354 WeakPolarHBondContact O-CA 3.1Å; M350-L354 VanDerWaalsContact O-CB 3.28Å; M350-L354 WeakPolarHBondContact O-CB 3.37Å; M350-L354 PolarHBondContact O-N 3.27Å; M350-L354 VanDerWaalsContact O-N 3.11Å; L354-L358 WeakPolarHBondContact O-CB 3.47Å; L354-L358 PolarHBondContact O-N 3.41Å
355L97.8Very high96.8Very high0 Ų051.9 Ų51.90%032%0.319CS..Iπ-helixtrans-70.9-52.8-171.7-70.9174.1000112.7M350 E351 L358 E359 L381 R382 V385M350-L355 PolarHBondContact O-N 3.31Å; E351-L355 PolarHBondContact O-N 2.79Å; E351-L355 VanDerWaalsContact OE2-CD1 3.26Å; E351-L355 WeakPolarHBondContact OE2-CD1 3.15Å; L355-L358 PolarHBondContact O-N 2.69Å; L355-E359 WeakPolarHBondContact O-CB 3.45Å; L355-E359 VanDerWaalsContact O-CG 3.31Å; L355-E359 WeakPolarHBondContact O-CG 3.23Å; L355-E359 PolarHBondContact O-N 3.43Å; L355-L381 HydrophobicContact CD2-CD2 3.87Å; L355-L381 HydrophobicContact CD2-CG 3.84Å; L355-R382 HydrophobicContact CD1-CG 4.05Å; L355-R382 HydrophobicContact CD2-CG 3.97Å; L355-V385 HydrophobicContact CD1-CB 3.9Å; L355-V385 HydrophobicContact CD1-CG1 3.8Å; L355-V385 HydrophobicContact CD1-CG2 3.94Å; L355-V385 HydrophobicContact CD2-CG2 4.32Å; L355-V385 HydrophobicContact CG-CG2 4.12Å
356Q97.4Very high96.8Very high105 Ų10552.5 Ų52.549%0.49132%0.321SS..Hα-helixtrans-60.7-46.7-178.7-69.3172.91100113E351 L358 E359 A360E351-Q356 WeakPolarHBondContact O-CG 3.35Å; E351-Q356 PolarHBondContact O-N 3.28Å; Q356-L358 VanDerWaalsContact C-N 3.34Å; Q356-L358 PolarHBondContact O-N 2.74Å; Q356-E359 PolarHBondContact O-N 2.92Å; Q356-A360 PolarHBondContact O-N 3.26Å
357P98.1Very high96.8Very high65 Ų6557.3 Ų57.342%0.42234%0.344SS..Hα-helixtrans-63.6-39.4176.8-2335.7000112.4S352 A360 A361S352-P357 VanDerWaalsContact O-CD 3.26Å; S352-P357 WeakPolarHBondContact O-CD 3.33Å; S352-P357 WeakPolarHBondContact O-CG 3.22Å; P357-A360 PolarHBondContact O-N 3.16Å; P357-A361 WeakPolarHBondContact O-CB 3.42Å; P357-A361 PolarHBondContact O-N 2.67Å
358L98.5Very high97Very high2 Ų254.4 Ų54.41%0.0131%0.31CS..Hα-helixtrans-62.2-47.4175.9174.557.4000111.3A336 V337 A340 L354 L355 Q356 A360 A361 L362 T378 L381A336-L358 HydrophobicContact CB-CD1 4.32Å; V337-L358 HydrophobicContact CB-CD1 4.39Å; V337-L358 HydrophobicContact CG2-CD1 3.96Å; A340-L358 HydrophobicContact CB-CB 3.9Å; A340-L358 HydrophobicContact CB-CD1 3.95Å; A340-L358 HydrophobicContact CB-CG 4.34Å; L354-L358 WeakPolarHBondContact O-CB 3.47Å; L354-L358 PolarHBondContact O-N 3.41Å; L355-L358 PolarHBondContact O-N 2.69Å; Q356-L358 VanDerWaalsContact C-N 3.34Å; Q356-L358 PolarHBondContact O-N 2.74Å; L358-A360 VanDerWaalsContact C-N 3.35Å; L358-A360 PolarHBondContact O-N 2.78Å; L358-A361 PolarHBondContact O-N 2.85Å; L358-L362 HydrophobicContact CD1-CD1 3.86Å; L358-L362 HydrophobicContact CD1-CD2 4.32Å; L358-L362 HydrophobicContact CD1-CG 3.85Å; L358-L362 HydrophobicContact CG-CD1 3.85Å; L358-L362 HydrophobicContact CG-CG 4.29Å; L358-L362 WeakPolarHBondContact O-CB 3.22Å; L358-L362 VanDerWaalsContact O-CG 3.27Å; L358-L362 WeakPolarHBondContact O-CG 3.48Å; L358-L362 PolarHBondContact O-N 2.97Å; L358-T378 HydrophobicContact CD2-CG2 4.08Å; L358-T378 HydrophobicContact CG-CG2 4.31Å; L358-L381 HydrophobicContact CD2-CD2 3.6Å
359E98.1Very high97.1Very high50 Ų5056.8 Ų56.823%0.23432%0.316CS..Hα-helixtrans-61.2-43.4179.3-73.9177.7-177.400112L355 Q356 A361 L362 Q363 T378 R382L355-E359 WeakPolarHBondContact O-CB 3.45Å; L355-E359 VanDerWaalsContact O-CG 3.31Å; L355-E359 WeakPolarHBondContact O-CG 3.23Å; L355-E359 PolarHBondContact O-N 3.43Å; Q356-E359 PolarHBondContact O-N 2.92Å; E359-A361 VanDerWaalsContact C-N 3.35Å; E359-A361 PolarHBondContact O-N 3.38Å; E359-L362 PolarHBondContact O-N 3.31Å; E359-Q363 WeakPolarHBondContact O-CG 3.31Å; E359-Q363 PolarHBondContact O-N 3.43Å; E359-Q363 VanDerWaalsContact O-N 3.1Å; E359-T378 HydrophobicContact CG-CG2 4.05Å; E359-R382 VanDerWaalsContact CD-NH2 3.35Å; E359-R382 IonicContact OE1-CZ 2.68Å; E359-R382 IonicContact OE1-NE 3.21Å; E359-R382 PolarHBondContact OE1-NE 3.42Å; E359-R382 IonicContact OE1-NH2 3.81Å; E359-R382 PolarHBondContact OE1-NH2 2.77Å; E359-R382 IonicContact OE2-NH2 2.77Å
360A97.9Very high97.2Very high57 Ų5753.1 Ų53.147%0.47130%0.297SS..Hα-helixtrans-60.7-43.6173.900000111.7Q356 P357 L358 L362 Q363Q356-A360 PolarHBondContact O-N 3.26Å; P357-A360 PolarHBondContact O-N 3.16Å; L358-A360 VanDerWaalsContact C-N 3.35Å; L358-A360 PolarHBondContact O-N 2.78Å; A360-L362 PolarHBondContact O-N 3.42Å; A360-Q363 PolarHBondContact O-N 3.27Å
361A98.3Very high97.2Very high43 Ų4351.8 Ų51.836%0.35529%0.29SS..Hα-helixtrans-63.2-41.7176.400000112A336 P357 L358 E359 Q363 A364 T365A336-A361 HydrophobicContact CB-CB 4.03Å; P357-A361 WeakPolarHBondContact O-CB 3.42Å; P357-A361 PolarHBondContact O-N 2.67Å; L358-A361 PolarHBondContact O-N 2.85Å; E359-A361 VanDerWaalsContact C-N 3.35Å; E359-A361 PolarHBondContact O-N 3.38Å; A361-Q363 PolarHBondContact O-N 3.16Å; A361-A364 WeakPolarHBondContact O-CB 3.43Å; A361-A364 PolarHBondContact O-N 3.18Å; A361-T365 WeakPolarHBondContact O-CG2 3.41Å
362L98.3Very high97.3Very high5 Ų553.6 Ų53.63%0.02630%0.302CS..Hα-helixtrans-65.9-34.5-179.6-71.5172.5000112.6A333 A336 V337 L358 E359 A360 A364 T365 F377 T378A333-L362 HydrophobicContact CB-CD2 4.06Å; A336-L362 HydrophobicContact CB-CD2 3.89Å; A336-L362 HydrophobicContact CB-CG 4.48Å; V337-L362 HydrophobicContact CG2-CD2 4.48Å; L358-L362 HydrophobicContact CD1-CD1 3.86Å; L358-L362 HydrophobicContact CD1-CD2 4.32Å; L358-L362 HydrophobicContact CD1-CG 3.85Å; L358-L362 HydrophobicContact CG-CD1 3.85Å; L358-L362 HydrophobicContact CG-CG 4.29Å; L358-L362 WeakPolarHBondContact O-CB 3.22Å; L358-L362 VanDerWaalsContact O-CG 3.27Å; L358-L362 WeakPolarHBondContact O-CG 3.48Å; L358-L362 PolarHBondContact O-N 2.97Å; E359-L362 PolarHBondContact O-N 3.31Å; A360-L362 PolarHBondContact O-N 3.42Å; L362-A364 PolarHBondContact O-N 3.29Å; L362-T365 WeakPolarHBondContact O-CB 3.47Å; L362-T365 PolarHBondContact O-N 3.39Å; L362-T365 PolarHBondContact O-OG1 3.19Å; L362-F377 HydrophobicContact CD2-CD2 4.14Å; L362-T378 HydrophobicContact CD1-CG2 3.69Å
363Q97.5Very high97.3Very high137 Ų13751.6 Ų51.664%0.6429%0.288SS*.Hα-helixtrans-57.7-33.7175-72.2172.49.500112.5E359 A360 A361 T365 T366E359-Q363 WeakPolarHBondContact O-CG 3.31Å; E359-Q363 PolarHBondContact O-N 3.43Å; E359-Q363 VanDerWaalsContact O-N 3.1Å; A360-Q363 PolarHBondContact O-N 3.27Å; A361-Q363 PolarHBondContact O-N 3.16Å; Q363-T365 PolarHBondContact O-N 3.49Å; Q363-T366 WeakPolarHBondContact O-CG2 3.43Å; Q363-T366 PolarHBondContact O-OG1 2.92Å; Q363-T366 VanDerWaalsContact O-OG1 3.07Å
364A97.3Very high97.2Very high73 Ų7350.6 Ų50.660%0.60328%0.28SS*.THydrogen-bonded Turntrans-73.3-8.617700000113.9A361 L362 H367A361-A364 WeakPolarHBondContact O-CB 3.43Å; A361-A364 PolarHBondContact O-N 3.18Å; L362-A364 PolarHBondContact O-N 3.29Å; A364-H367 PolarHBondContact O-ND1 2.98Å
365T97.3Very high97.1Very high7 Ų755.2 Ų55.24%0.04330%0.302CS..THydrogen-bonded Turntrans-99-1.4-174.573.40000114.4P332 A333 A361 L362 Q363 H367 S368 G371P332-T365 HydrophobicContact CB-CG2 3.92Å; P332-T365 HydrophobicContact CG-CG2 4.29Å; A333-T365 HydrophobicContact CB-CG2 4.37Å; A333-T365 WeakPolarHBondContact CB-OG1 3.3Å; A361-T365 WeakPolarHBondContact O-CG2 3.41Å; L362-T365 WeakPolarHBondContact O-CB 3.47Å; L362-T365 PolarHBondContact O-N 3.39Å; L362-T365 PolarHBondContact O-OG1 3.19Å; Q363-T365 PolarHBondContact O-N 3.49Å; T365-H367 PolarHBondContact O-N 2.76Å; T365-S368 PolarHBondContact O-N 3.2Å; T365-S368 PolarHBondContact O-OG 3.13Å; T365-G371 WeakPolarHBondContact O-CA 3.46Å; T365-G371 VanDerWaalsContact OG1-CA 3.26Å; T365-G371 WeakPolarHBondContact OG1-CA 3.35Å
366T96.3Very high97.1Very high73 Ų7355.2 Ų55.245%0.44830%0.302SS..THydrogen-bonded Turntrans-62.3-9.7-173.2500000115.3Q363 S368 L372Q363-T366 WeakPolarHBondContact O-CG2 3.43Å; Q363-T366 PolarHBondContact O-OG1 2.92Å; Q363-T366 VanDerWaalsContact O-OG1 3.07Å; T366-S368 PolarHBondContact O-N 3.26Å; T366-L372 VanDerWaalsContact O-CD2 3.3Å; T366-L372 WeakPolarHBondContact O-CD2 3.34Å; T366-L372 WeakPolarHBondContact O-CG 3.42Å
367H95.3Very high97.2Very high147 Ų14750.2 Ų50.268%0.68128%0.278SS*.THydrogen-bonded Turntrans-70.7-12.2170.362.9-88.5000113.4A364 T365A364-H367 PolarHBondContact O-ND1 2.98Å; T365-H367 PolarHBondContact O-N 2.76Å
368S96.1Very high97.1Very high19 Ų1947.3 Ų47.313%0.13326%0.259CS..SBendtrans-109.6151176.168.80000111.5T365 T366 C370 G371 L372T365-S368 PolarHBondContact O-N 3.2Å; T365-S368 PolarHBondContact O-OG 3.13Å; T366-S368 PolarHBondContact O-N 3.26Å; S368-C370 VanDerWaalsContact C-N 3.3Å; S368-C370 PolarHBondContact O-N 2.8Å; S368-G371 CarbonylContact O-C 3.16Å; S368-G371 WeakPolarHBondContact O-CA 3.4Å; S368-G371 PolarHBondContact O-N 3.41Å; S368-G371 PolarHBondContact OG-N 3.44Å; S368-L372 PolarHBondContact O-N 2.85Å
369Y96.8Very high97.1Very high142 Ų14251.2 Ų51.256%0.55728%0.276SS*.Hα-helixtrans-59.3-39.8177.3-72-65.8000113.1C302 I303 G371 L372 S373C302-Y369 WeakPolarHBondContact O-CB 3.46Å; I303-Y369 WeakPolarHBondContact O-CD2 3.28Å; Y369-G371 VanDerWaalsContact C-N 3.32Å; Y369-G371 PolarHBondContact O-N 2.95Å; Y369-L372 HydrophobicContact CD1-CD1 4.42Å; Y369-L372 PolarHBondContact O-N 3.23Å; Y369-S373 PolarHBondContact O-N 3.42Å; Y369-S373 VanDerWaalsContact O-N 3.16Å; Y369-S373 PolarHBondContact O-OG 3.36Å; Y369-S373 VanDerWaalsContact O-OG 3.06Å
370C97.3Very high96.9Very high0 Ų050.6 Ų50.60%027%0.272CS..Hα-helixtrans-65.4-35.4173.7-66.90000112.3C302 Q331 F334 S368 S373 S374C302-C370 HydrophobicContact CB-CB 3.92Å; C302-C370 WeakPolarHBondContact CB-SG 3.42Å; C302-C370 VanDerWaalsContact SG-CA 3.55Å; C302-C370 WeakPolarHBondContact SG-CB 3.23Å; C302-C370 CovalentContact SG-SG 2.03Å; C302-C370 PolarHBondContact SG-SG 3.24Å; Q331-C370 PolarHBondContact OE1-SG 3.38Å; F334-C370 HydrophobicContact CE2-CB 4.29Å; S368-C370 VanDerWaalsContact C-N 3.3Å; S368-C370 PolarHBondContact O-N 2.8Å; C370-S373 CarbonylContact O-C 3.54Å; C370-S373 PolarHBondContact O-N 3.08Å; C370-S374 PolarHBondContact O-N 3.33Å; C370-S374 VanDerWaalsContact O-N 3.13Å
371G97.1Very high96.8Very high0 Ų047.9 Ų47.90%025%0.249CC..Hα-helixtrans-69.5-34.7173.900000113.9T365 S368 Y369 S373 S374T365-G371 WeakPolarHBondContact O-CA 3.46Å; T365-G371 VanDerWaalsContact OG1-CA 3.26Å; T365-G371 WeakPolarHBondContact OG1-CA 3.35Å; S368-G371 CarbonylContact O-C 3.16Å; S368-G371 WeakPolarHBondContact O-CA 3.4Å; S368-G371 PolarHBondContact O-N 3.41Å; S368-G371 PolarHBondContact OG-N 3.44Å; Y369-G371 VanDerWaalsContact C-N 3.32Å; Y369-G371 PolarHBondContact O-N 2.95Å; G371-S373 PolarHBondContact O-N 3.21Å; G371-S374 WeakPolarHBondContact O-CB 3.42Å; G371-S374 PolarHBondContact O-N 3.29Å; G371-S374 VanDerWaalsContact O-N 3.16Å; G371-S374 PolarHBondContact O-OG 3.05Å
372L96.8Very high96.7Very high106 Ų10649.6 Ų49.656%0.55525%0.247SC*.Hα-helixtrans-62.2-32.3169.9-68.4172.3000111.8T366 S368 Y369 S374T366-L372 VanDerWaalsContact O-CD2 3.3Å; T366-L372 WeakPolarHBondContact O-CD2 3.34Å; T366-L372 WeakPolarHBondContact O-CG 3.42Å; S368-L372 PolarHBondContact O-N 2.85Å; Y369-L372 HydrophobicContact CD1-CD1 4.42Å; Y369-L372 PolarHBondContact O-N 3.23Å; L372-S374 VanDerWaalsContact C-N 3.34Å
373S95.7Very high96.5Very high13 Ų1353.3 Ų53.39%0.09126%0.264CS..THydrogen-bonded Turntrans-92.612.3177.8-44.50000112.9Y369 C370 G371 H375 L376Y369-S373 PolarHBondContact O-N 3.42Å; Y369-S373 VanDerWaalsContact O-N 3.16Å; Y369-S373 PolarHBondContact O-OG 3.36Å; Y369-S373 VanDerWaalsContact O-OG 3.06Å; C370-S373 CarbonylContact O-C 3.54Å; C370-S373 PolarHBondContact O-N 3.08Å; G371-S373 PolarHBondContact O-N 3.21Å; S373-H375 PolarHBondContact O-N 2.94Å; S373-L376 WeakPolarHBondContact O-CB 3.5Å; S373-L376 VanDerWaalsContact O-CG 3.24Å; S373-L376 WeakPolarHBondContact O-CG 3.34Å; S373-L376 PolarHBondContact O-N 3.29Å; S373-L376 VanDerWaalsContact O-N 3.11Å
374S95.8Very high96.3Very high17 Ų1747 Ų4712%0.11924%0.235CC..THydrogen-bonded Turntrans-65-22.3-172.855.90000114.6C370 G371 L372 L376 F377C370-S374 PolarHBondContact O-N 3.33Å; C370-S374 VanDerWaalsContact O-N 3.13Å; G371-S374 WeakPolarHBondContact O-CB 3.42Å; G371-S374 PolarHBondContact O-N 3.29Å; G371-S374 VanDerWaalsContact O-N 3.16Å; G371-S374 PolarHBondContact O-OG 3.05Å; L372-S374 VanDerWaalsContact C-N 3.34Å; S374-L376 PolarHBondContact O-N 2.89Å; S374-L376 VanDerWaalsContact O-N 3.14Å; S374-F377 WeakPolarHBondContact O-CB 3.48Å; S374-F377 PolarHBondContact O-N 3.49Å
375H96.3Very high96.2Very high98 Ų9843.6 Ų43.645%0.45421%0.206SC..Hα-helixtrans-58.5-24.3174.370-81000112.8S373 F377 T378 K379S373-H375 PolarHBondContact O-N 2.94Å; H375-F377 VanDerWaalsContact C-N 3.28Å; H375-F377 PolarHBondContact O-N 3.44Å; H375-T378 PolarHBondContact O-N 2.87Å; H375-T378 PolarHBondContact O-OG1 3.01Å; H375-K379 WeakPolarHBondContact O-CB 3.31Å; H375-K379 PolarHBondContact O-N 3.38Å; H375-K379 VanDerWaalsContact O-N 3.09Å
376L97.9Very high95.9Very high0 Ų051.2 Ų51.20%023%0.234CC..Hα-helixtrans-66.1-30.1174.7-55.6-176.4000112.5A311 E312 G315 V316 S373 S374A311-L376 HydrophobicContact CB-CD1 4.5Å; E312-L376 WeakPolarHBondContact OE1-CD1 3.31Å; G315-L376 WeakPolarHBondContact CA-O 3.19Å; V316-L376 HydrophobicContact CG2-CB 4.17Å; V316-L376 PolarHBondContact N-O 3.08Å; S373-L376 WeakPolarHBondContact O-CB 3.5Å; S373-L376 VanDerWaalsContact O-CG 3.24Å; S373-L376 WeakPolarHBondContact O-CG 3.34Å; S373-L376 PolarHBondContact O-N 3.29Å; S373-L376 VanDerWaalsContact O-N 3.11Å; S374-L376 PolarHBondContact O-N 2.89Å; S374-L376 VanDerWaalsContact O-N 3.14Å
377F98Very high95.5Very high0 Ų052.4 Ų52.40%024%0.238CC..Hα-helixtrans-73.7-34.4179.9-54-28.2000112Y297 V316 L319 A333 F334 V337 L362 S374 H375 L381Y297-F377 AromaticContact CD1-CE1 3.94Å; Y297-F377 HydrophobicContact CD1-CE1 3.94Å; Y297-F377 AromaticContact CE1-CE1 3.61Å; Y297-F377 HydrophobicContact CE1-CE1 3.61Å; Y297-F377 HydrophobicContact CE1-CZ 4.18Å; V316-F377 HydrophobicContact CB-CD1 4.22Å; V316-F377 HydrophobicContact CG2-CD1 3.76Å; V316-F377 HydrophobicContact CG2-CE1 4.03Å; L319-F377 HydrophobicContact CD1-CD1 3.96Å; L319-F377 HydrophobicContact CD1-CE1 3.66Å; L319-F377 HydrophobicContact CD1-CZ 4.19Å; A333-F377 HydrophobicContact CB-CE2 3.82Å; F334-F377 HydrophobicContact CD2-CE2 4.36Å; F334-F377 HydrophobicContact CD2-CZ 4.01Å; F334-F377 HydrophobicContact CE2-CE1 4.39Å; F334-F377 HydrophobicContact CE2-CE2 4.41Å; F334-F377 AromaticContact CE2-CZ 3.63Å; F334-F377 HydrophobicContact CE2-CZ 3.63Å; F334-F377 HydrophobicContact CZ-CZ 4.18Å; V337-F377 HydrophobicContact CG2-CB 3.98Å; V337-F377 HydrophobicContact CG2-CD2 3.82Å; V337-F377 HydrophobicContact CG2-CG 4.11Å; L362-F377 HydrophobicContact CD2-CD2 4.14Å; S374-F377 WeakPolarHBondContact O-CB 3.48Å; S374-F377 PolarHBondContact O-N 3.49Å; H375-F377 VanDerWaalsContact C-N 3.28Å; H375-F377 PolarHBondContact O-N 3.44Å; F377-L381 WeakPolarHBondContact O-CB 3.43Å
378T97.4Very high95Very high4 Ų448.5 Ų48.53%0.02522%0.222CC..Hα-helixtrans-90.2-21.6-178.956.70000113L358 E359 L362 H375 R380 L381 R382L358-T378 HydrophobicContact CD2-CG2 4.08Å; L358-T378 HydrophobicContact CG-CG2 4.31Å; E359-T378 HydrophobicContact CG-CG2 4.05Å; L362-T378 HydrophobicContact CD1-CG2 3.69Å; H375-T378 PolarHBondContact O-N 2.87Å; H375-T378 PolarHBondContact O-OG1 3.01Å; T378-R380 PolarHBondContact O-N 3.48Å; T378-L381 PolarHBondContact O-N 2.94Å; T378-R382 VanDerWaalsContact O-CG 3.31Å; T378-R382 WeakPolarHBondContact O-CG 3.38Å; T378-R382 PolarHBondContact O-N 2.76Å; T378-R382 PolarHBondContact OG1-NH1 3.48Å; T378-R382 PolarHBondContact OG1-NH2 3.35Å
379K97.1Very high93.9Very high84 Ų8451.8 Ų51.837%0.36524%0.235SC..Hα-helixtrans-51.7-55.9-177.7-179167.9175176.50113.2E312 E313 H375E312-K379 PolarHBondContact O-NZ 2.96Å; E313-K379 VanDerWaalsContact O-CE 3.27Å; E313-K379 WeakPolarHBondContact O-CE 3.17Å; E313-K379 PolarHBondContact O-NZ 3.44Å; H375-K379 WeakPolarHBondContact O-CB 3.31Å; H375-K379 PolarHBondContact O-N 3.38Å; H375-K379 VanDerWaalsContact O-N 3.09Å
380R94.3Very high92.1Very high37 Ų3750.7 Ų50.714%0.1425%0.245CC..Hα-helixtrans-80.2-33.8178.8-166.858.757.3157.312.3112.7R180 E314 F317 T378 R382 E383 S384R180-R380 HydrophobicContact CB-CG 4.16Å; E314-R380 PolarHBondContact O-NE 3.4Å; E314-R380 PolarHBondContact O-NH2 3.32Å; E314-R380 IonicContact OE1-NH2 2.71Å; F317-R380 HydrophobicContact CD1-CB 4.11Å; F317-R380 HydrophobicContact CD1-CG 3.72Å; F317-R380 HydrophobicContact CE1-CB 4.32Å; F317-R380 HydrophobicContact CE1-CG 3.87Å; T378-R380 PolarHBondContact O-N 3.48Å; R380-R382 VanDerWaalsContact C-N 3.3Å; R380-R382 PolarHBondContact O-N 2.95Å; R380-E383 VanDerWaalsContact CD-OE2 3.25Å; R380-E383 WeakPolarHBondContact CD-OE2 3.18Å; R380-E383 IonicContact CZ-OE2 2.96Å; R380-E383 VanDerWaalsContact CZ-OE2 3.31Å; R380-E383 IonicContact NE-OE2 2.95Å; R380-E383 PolarHBondContact NE-OE2 3.33Å; R380-E383 IonicContact NH1-OE1 3.41Å; R380-E383 IonicContact NH1-OE2 3.26Å; R380-E383 PolarHBondContact NH1-OE2 3.02Å; R380-E383 WeakPolarHBondContact O-CB 3.36Å; R380-E383 PolarHBondContact O-N 2.99Å; R380-E383 VanDerWaalsContact O-N 3.08Å; R380-S384 PolarHBondContact O-N 2.98Å; R380-S384 PolarHBondContact O-OG 3.42Å
381L95.7Very high89.8Confident1 Ų159.1 Ų59.11%0.00528%0.284CS..Hα-helixtrans-57.9-41.7178.7-176.862.7000112.3F94 L179 L355 L358 F377 T378 E383 S384 V385F94-L381 HydrophobicContact CE1-CD1 3.88Å; F94-L381 HydrophobicContact CE2-CD1 3.88Å; F94-L381 HydrophobicContact CZ-CD1 3.37Å; L179-L381 HydrophobicContact CD2-CD1 4.29Å; L179-L381 HydrophobicContact CD2-CD2 4.45Å; L355-L381 HydrophobicContact CD2-CD2 3.87Å; L355-L381 HydrophobicContact CD2-CG 3.84Å; L358-L381 HydrophobicContact CD2-CD2 3.6Å; F377-L381 WeakPolarHBondContact O-CB 3.43Å; T378-L381 PolarHBondContact O-N 2.94Å; L381-E383 VanDerWaalsContact C-N 3.29Å; L381-E383 PolarHBondContact O-N 3Å; L381-S384 WeakPolarHBondContact O-CB 3.41Å; L381-S384 PolarHBondContact O-N 3Å; L381-V385 WeakPolarHBondContact O-CG2 3.24Å; L381-V385 PolarHBondContact O-N 2.96Å
382R96.3Very high87.1Confident79 Ų7966.9 Ų66.930%0.29833%0.326SS..Hα-helixtrans-59.2-39.4175.7-73.4-177.2-162.8119.7-8.1112.6L355 E359 T378 R380 V385 R386L355-R382 HydrophobicContact CD1-CG 4.05Å; L355-R382 HydrophobicContact CD2-CG 3.97Å; E359-R382 VanDerWaalsContact CD-NH2 3.35Å; E359-R382 IonicContact OE1-CZ 2.68Å; E359-R382 IonicContact OE1-NE 3.21Å; E359-R382 PolarHBondContact OE1-NE 3.42Å; E359-R382 IonicContact OE1-NH2 3.81Å; E359-R382 PolarHBondContact OE1-NH2 2.77Å; E359-R382 IonicContact OE2-NH2 2.77Å; T378-R382 VanDerWaalsContact O-CG 3.31Å; T378-R382 WeakPolarHBondContact O-CG 3.38Å; T378-R382 PolarHBondContact O-N 2.76Å; T378-R382 PolarHBondContact OG1-NH1 3.48Å; T378-R382 PolarHBondContact OG1-NH2 3.35Å; R380-R382 VanDerWaalsContact C-N 3.3Å; R380-R382 PolarHBondContact O-N 2.95Å; R382-V385 PolarHBondContact O-N 3.31Å; R382-R386 VanDerWaalsContact O-CG 3.27Å; R382-R386 WeakPolarHBondContact O-CG 3.4Å; R382-R386 PolarHBondContact O-N 2.98Å
383E94.2Very high84.3Confident83 Ų8369.9 Ų69.939%0.38834%0.341SS..Hα-helixtrans-67.6-43.9176.4-172.2-177.1174.200111.2R380 L381 V385 R386 L387R380-E383 VanDerWaalsContact CD-OE2 3.25Å; R380-E383 WeakPolarHBondContact CD-OE2 3.18Å; R380-E383 IonicContact CZ-OE2 2.96Å; R380-E383 VanDerWaalsContact CZ-OE2 3.31Å; R380-E383 IonicContact NE-OE2 2.95Å; R380-E383 PolarHBondContact NE-OE2 3.33Å; R380-E383 IonicContact NH1-OE1 3.41Å; R380-E383 IonicContact NH1-OE2 3.26Å; R380-E383 PolarHBondContact NH1-OE2 3.02Å; R380-E383 WeakPolarHBondContact O-CB 3.36Å; R380-E383 PolarHBondContact O-N 2.99Å; R380-E383 VanDerWaalsContact O-N 3.08Å; L381-E383 VanDerWaalsContact C-N 3.29Å; L381-E383 PolarHBondContact O-N 3Å; E383-V385 VanDerWaalsContact C-N 3.28Å; E383-V385 PolarHBondContact O-N 3.05Å; E383-R386 PolarHBondContact O-N 3.18Å; E383-L387 HydrophobicContact CG-CD1 4.08Å; E383-L387 HydrophobicContact CG-CG 4.49Å; E383-L387 WeakPolarHBondContact O-CG 3.44Å; E383-L387 PolarHBondContact O-N 3.46Å
384S94.1Very high81.5Confident5 Ų571.5 Ų71.54%0.03536%0.359CS..Hα-helixtrans-56.3-43.1174.6-56.70000111.9L179 R180 R380 L381 L388L179-S384 PolarHBondContact O-OG 3.14Å; R180-S384 WeakPolarHBondContact CA-OG 3.44Å; R380-S384 PolarHBondContact O-N 2.98Å; R380-S384 PolarHBondContact O-OG 3.42Å; L381-S384 WeakPolarHBondContact O-CB 3.41Å; L381-S384 PolarHBondContact O-N 3Å; S384-L388 WeakPolarHBondContact O-CG 3.47Å
385V93.9Very high78.8Confident0 Ų076.1 Ų76.10%039%0.391CS..Hα-helixtrans-65.2-47176.3169.10000111.8F94 M350 L355 L381 R382 E383 L387 L388 Q389F94-V385 HydrophobicContact CE1-CG2 4.17Å; M350-V385 HydrophobicContact CB-CB 4.41Å; M350-V385 HydrophobicContact CB-CG1 3.56Å; M350-V385 HydrophobicContact CB-CG2 4Å; M350-V385 HydrophobicContact SD-CG1 4.4Å; M350-V385 HydrophobicContact SD-CG2 3.97Å; L355-V385 HydrophobicContact CD1-CB 3.9Å; L355-V385 HydrophobicContact CD1-CG1 3.8Å; L355-V385 HydrophobicContact CD1-CG2 3.94Å; L355-V385 HydrophobicContact CD2-CG2 4.32Å; L355-V385 HydrophobicContact CG-CG2 4.12Å; L381-V385 WeakPolarHBondContact O-CG2 3.24Å; L381-V385 PolarHBondContact O-N 2.96Å; R382-V385 PolarHBondContact O-N 3.31Å; E383-V385 VanDerWaalsContact C-N 3.28Å; E383-V385 PolarHBondContact O-N 3.05Å; V385-L387 VanDerWaalsContact C-N 3.3Å; V385-L387 PolarHBondContact O-N 3.5Å; V385-L388 PolarHBondContact O-N 2.92Å; V385-L388 VanDerWaalsContact O-N 3.12Å; V385-Q389 PolarHBondContact O-N 2.99Å
386R92.4Very high76.1Confident167 Ų16780.7 Ų80.763%0.6341%0.413SS*.Hα-helixtrans-59.8-39.7179.1-75.1173.2-175175.70.9112.6R382 E383 L388 Q389R382-R386 VanDerWaalsContact O-CG 3.27Å; R382-R386 WeakPolarHBondContact O-CG 3.4Å; R382-R386 PolarHBondContact O-N 2.98Å; E383-R386 PolarHBondContact O-N 3.18Å; R386-L388 PolarHBondContact O-N 3.29Å; R386-Q389 PolarHBondContact O-N 2.98Å
387L88.1Confident73.3Confident98 Ų9884.7 Ų84.751%0.51345%0.446SS..THydrogen-bonded Turntrans-70.9-9.4-179.7-68.5172.4000113.9E383 V385E383-L387 HydrophobicContact CG-CD1 4.08Å; E383-L387 HydrophobicContact CG-CG 4.49Å; E383-L387 WeakPolarHBondContact O-CG 3.44Å; E383-L387 PolarHBondContact O-N 3.46Å; V385-L387 VanDerWaalsContact C-N 3.3Å; V385-L387 PolarHBondContact O-N 3.5Å
388L84.1Confident70.4Confident66 Ų6692.3 Ų92.335%0.34649%0.487SS..THydrogen-bonded Turntrans-95.8-17.9173.6-65.5171.8000112.8L93 F94 M350 S384 V385 R386L93-L388 VanDerWaalsContact O-CD1 3.25Å; L93-L388 WeakPolarHBondContact O-CD1 3.3Å; F94-L388 HydrophobicContact CD1-CD1 3.89Å; M350-L388 HydrophobicContact CE-CD1 3.71Å; M350-L388 HydrophobicContact SD-CD1 3.75Å; S384-L388 WeakPolarHBondContact O-CG 3.47Å; V385-L388 PolarHBondContact O-N 2.92Å; V385-L388 VanDerWaalsContact O-N 3.12Å; R386-L388 PolarHBondContact O-N 3.29Å
389Q72.9Confident67.8Low87 Ų8799.3 Ų99.341%0.40752%0.522SS..SBendtrans-75.2136.4174.6-68.6177.2-21.600108.5V385 R386 E391V385-Q389 PolarHBondContact O-N 2.99Å; R386-Q389 PolarHBondContact O-N 2.98Å; Q389-E391 PolarHBondContact O-N 3.32Å
390P59Low64.9Low119 Ų119102.2 Ų102.277%0.77354%0.541SS*.PPolyproline II helixtrans-53.4134169.4-18.829.4000108.4D392P390-D392 PolarHBondContact O-N 3.4Å
391E48.6Very low62.3Low178 Ų178105.6 Ų105.683%0.83257%0.567SS**PPolyproline II helixtrans-53.2120167.7-73.1-171.8166.400107.4Q389 I393Q389-E391 PolarHBondContact O-N 3.32Å; E391-I393 VanDerWaalsContact C-N 3.32Å; E391-I393 PolarHBondContact O-N 2.97Å
392D39.9Very low59.8Low163 Ų163111.6 Ų111.687%0.87260%0.604SS**  trans-55.2106.2162.5-107.5-24.5000105.5P390 G394P390-D392 PolarHBondContact O-N 3.4Å; D392-G394 PolarHBondContact O-N 3.47Å
393I39.1Very low57.7Low169 Ų169113.3 Ų113.387%0.86763%0.625SS**  trans-69.970164.6-57.9175.9000105.7E391 S395E391-I393 VanDerWaalsContact C-N 3.32Å; E391-I393 PolarHBondContact O-N 2.97Å; I393-S395 PolarHBondContact O-N 2.98Å
394G36.7Very low55.6Low46 Ų46117.1 Ų117.147%0.47465%0.648SS.*  trans-79.590.8172.600000108.6D392 Q396D392-G394 PolarHBondContact O-N 3.47Å; G394-Q396 PolarHBondContact O-N 3.43Å
395S39.7Very low53.3Low114 Ų114121.8 Ų121.880%0.79769%0.687SS**  33.963.6128.452.90000117I393I393-S395 PolarHBondContact O-N 2.98Å
396Q39.4Very low51.1Low195 Ų195127.8 Ų127.891%0.91172%0.723SS**  trans-120.273.8152.9-74.5-1666.600110G394G394-Q396 PolarHBondContact O-N 3.43Å
397A39Very low48.8Very low84 Ų84131 Ų13169%0.69475%0.753SS**  trans-129.762.4157.400000108.3I399A397-I399 VanDerWaalsContact C-N 3.27Å; A397-I399 PolarHBondContact O-N 3.21Å; A397-I399 VanDerWaalsContact O-N 3.09Å
398N35.9Very low46.9Very low160 Ų160132.7 Ų132.786%0.85677%0.765SS**  trans-75.491.6159.8-92.5-14.9000107.6I400N398-I400 PolarHBondContact O-N 3.39Å
399I43.6Very low44.9Very low150 Ų150136.2 Ų136.277%0.76979%0.787SS**  trans-65.4112.2162.1-61.5170.3000106.6A397A397-I399 VanDerWaalsContact C-N 3.27Å; A397-I399 PolarHBondContact O-N 3.21Å; A397-I399 VanDerWaalsContact O-N 3.09Å
400I36.8Very low43.4Very low146 Ų146138.9 Ų138.975%0.74981%0.808SS**  trans-97.5115162-58.6175.7000106.2N398 V402N398-I400 PolarHBondContact O-N 3.39Å; I400-V402 PolarHBondContact O-N 3.48Å
401P39.5Very low42.5Very low108 Ų108140.1 Ų140.170%0.70181%0.81SS**PPolyproline II helixtrans-73.9125.4168.9016.2000108.8
402V43.3Very low42.1Very low127 Ų127137.7 Ų137.777%0.7781%0.809SS**PPolyproline II helixtrans-70129.7165.5179.50000107.5I400I400-V402 PolarHBondContact O-N 3.48Å
403P51.8Low42.2Very low114 Ų114136 Ų13674%0.7481%0.805SS**PPolyproline II helixtrans-77.813617427.8-24.6000110.2A405P403-A405 PolarHBondContact O-N 3.4Å
404D49Very low42.4Very low163 Ų163133.6 Ų133.687%0.87280%0.8SS**PPolyproline II helixtrans-52.7125.9172.1-69.1-50.9000111.1
405A46.2Very low42.9Very low103 Ų103140.4 Ų140.485%0.85183%0.825SS**  trans-96.1114.3164.300000108.4P403P403-A405 PolarHBondContact O-N 3.4Å
406V48.7Very low43.1Very low127 Ų127142.6 Ų142.677%0.7783%0.828SS**  trans-76.8147.9165.1171.50000109
407D44.6Very low43.5Very low234 Ų234137.8 Ų137.8100%1.25182%0.82SS**  trans92.70175-68.3-20.1000118.3

Retrieved 407 of 407 residues in 930.4 ms (Link to these results)

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