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Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1

Glycosyltransferase that generates the core 1 O-glycan Gal-beta1-3GalNAc-alpha1-Ser/Thr (T antigen), which is a precursor for many extended O-glycans in glycoproteins. Plays a central role in many processes, such as angiogenesis, thrombopoiesis and kidney homeostasis development.

AlphaFold DB , UniProt , Accession A0A2K5UWB6, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene C1GALT1, Length 371 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
1M56.1Low59Low235 Ų235132.8 Ų132.8100%1.15867%0.668SS**  054.90-165.1167.878.400110
2S59.9Low59.8Low91 Ų91131.3 Ų131.364%0.63665%0.654SS**  trans-141.6-27-176.961.70000114.8
3E57.1Low61Low163 Ų163127.2 Ų127.276%0.76265%0.645SS**Hα-helixtrans-82.4-38.5179.2-98.3-177.9152.200114.7H5 F6 R7E3-H5 PolarHBondContact O-N 2.73Å; E3-F6 PolarHBondContact O-N 3.13Å; E3-R7 PolarHBondContact O-N 3.48Å
4I59.5Low62Low142 Ų142130.9 Ų130.973%0.72865%0.648SS**Hα-helixtrans-67.6-39.7-177.2-60174.1000110.6F6 R7 E8I4-F6 VanDerWaalsContact C-N 3.34Å; I4-F6 PolarHBondContact O-N 3.09Å; I4-R7 PolarHBondContact O-N 3.23Å; I4-E8 PolarHBondContact O-N 3.47Å; I4-E8 VanDerWaalsContact O-N 3.15Å
5H56.7Low63Low118 Ų118129.3 Ų129.355%0.54664%0.642SS.*Hα-helixtrans-69.6-31.5-179.4-134.7-46.7000112.8E3 M9E3-H5 PolarHBondContact O-N 2.73Å; H5-M9 PolarHBondContact O-N 2.66Å
6F57.8Low64.2Low161 Ų161127.8 Ų127.871%0.70664%0.636SS**Hα-helixtrans-73.7-40.9176.7-118.3-85.4000112.2E3 I4 E8 M9 A10E3-F6 PolarHBondContact O-N 3.13Å; I4-F6 VanDerWaalsContact C-N 3.34Å; I4-F6 PolarHBondContact O-N 3.09Å; F6-E8 VanDerWaalsContact C-N 3.33Å; F6-E8 PolarHBondContact O-N 2.81Å; F6-M9 PolarHBondContact O-N 2.79Å; F6-A10 WeakPolarHBondContact O-CB 3.05Å; F6-A10 PolarHBondContact O-N 2.88Å
7R58.8Low65.2Low208 Ų208127.4 Ų127.479%0.78563%0.63SS**Hα-helixtrans-63.6-37.8174.5-89-176.7163-168.4-3.5112.5E3 I4 S11E3-R7 PolarHBondContact O-N 3.48Å; I4-R7 PolarHBondContact O-N 3.23Å; R7-S11 VanDerWaalsContact O-CB 3.32Å; R7-S11 WeakPolarHBondContact O-CB 3.48Å; R7-S11 PolarHBondContact O-N 3.04Å
8E59.3Low66.1Low91 Ų91125 Ų12543%0.42562%0.62SS.*Hα-helixtrans-71.4-38.1179-153.5-170.5148.300112.5I4 F6 K12I4-E8 PolarHBondContact O-N 3.47Å; I4-E8 VanDerWaalsContact O-N 3.15Å; F6-E8 VanDerWaalsContact C-N 3.33Å; F6-E8 PolarHBondContact O-N 2.81Å; E8-K12 PolarHBondContact O-N 3.48Å; E8-K12 VanDerWaalsContact O-N 3.07Å; E8-K12 IonicContact OE1-NZ 3.43Å; E8-K12 PolarHBondContact OE1-NZ 2.94Å
9M58.8Low67Low116 Ų116122.8 Ų122.857%0.57161%0.614SS**Hα-helixtrans-66.7-41.7173.1-100.8-176.9-85.100112.5H5 F6 K12 S13H5-M9 PolarHBondContact O-N 2.66Å; F6-M9 PolarHBondContact O-N 2.79Å; M9-K12 PolarHBondContact O-N 3.29Å; M9-S13 VanDerWaalsContact O-CB 3.31Å; M9-S13 WeakPolarHBondContact O-CB 3.3Å; M9-S13 PolarHBondContact O-N 3.43Å
10A60.3Low68Low61 Ų61123.7 Ų123.750%0.50461%0.614SS.*Hα-helixtrans-64.7-39176.300000112.1F6 S13 W14F6-A10 WeakPolarHBondContact O-CB 3.05Å; F6-A10 PolarHBondContact O-N 2.88Å; A10-S13 PolarHBondContact O-N 2.8Å; A10-W14 WeakPolarHBondContact O-CB 3.33Å; A10-W14 PolarHBondContact O-N 2.91Å
11S65.3Low69Low75 Ų75121.9 Ų121.952%0.52461%0.606SS.*Hα-helixtrans-62-47.9174.5165.90000112.5R7 W14 L15R7-S11 VanDerWaalsContact O-CB 3.32Å; R7-S11 WeakPolarHBondContact O-CB 3.48Å; R7-S11 PolarHBondContact O-N 3.04Å; S11-W14 PolarHBondContact O-N 2.91Å; S11-L15 WeakPolarHBondContact O-CB 3.29Å; S11-L15 PolarHBondContact O-N 2.89Å
12K68.4Low70.5Confident115 Ų115114 Ų11450%0.557%0.573SS.*Hα-helixtrans-65.7-38.9176.9-75173.6-179.2159.30112.1E8 M9 L15 N16E8-K12 PolarHBondContact O-N 3.48Å; E8-K12 VanDerWaalsContact O-N 3.07Å; E8-K12 IonicContact OE1-NZ 3.43Å; E8-K12 PolarHBondContact OE1-NZ 2.94Å; M9-K12 PolarHBondContact O-N 3.29Å; K12-L15 PolarHBondContact O-N 2.6Å; K12-N16 WeakPolarHBondContact O-CB 3.5Å; K12-N16 PolarHBondContact O-N 3.24Å; K12-N16 PolarHBondContact O-ND2 2.98Å
13S74.6Confident71.9Confident77 Ų77111.7 Ų111.754%0.53856%0.564SS.*Hα-helixtrans-63.3-43.7175-173.90000112M9 A10 N16 F17M9-S13 VanDerWaalsContact O-CB 3.31Å; M9-S13 WeakPolarHBondContact O-CB 3.3Å; M9-S13 PolarHBondContact O-N 3.43Å; A10-S13 PolarHBondContact O-N 2.8Å; S13-N16 PolarHBondContact O-N 3.41Å; S13-F17 WeakPolarHBondContact O-CB 3.35Å; S13-F17 PolarHBondContact O-N 3.43Å
14W75.2Confident73.4Confident180 Ų180106.5 Ų106.568%0.68255%0.546SS*.Hα-helixtrans-64.6-41.8176.4-170.7-81.4000112.2A10 S11 F17 L18A10-W14 WeakPolarHBondContact O-CB 3.33Å; A10-W14 PolarHBondContact O-N 2.91Å; S11-W14 PolarHBondContact O-N 2.91Å; W14-F17 PolarHBondContact O-N 3.47Å; W14-L18 WeakPolarHBondContact O-CB 3.33Å; W14-L18 PolarHBondContact O-N 2.91Å
15L77.9Confident74.9Confident107 Ų107102.3 Ų102.356%0.5653%0.533SS*.Hα-helixtrans-64.2-41.2177.2-166.469000111.5S11 K12 F17 L18 T19S11-L15 WeakPolarHBondContact O-CB 3.29Å; S11-L15 PolarHBondContact O-N 2.89Å; K12-L15 PolarHBondContact O-N 2.6Å; L15-F17 VanDerWaalsContact C-N 3.35Å; L15-L18 PolarHBondContact O-N 3.4Å; L15-T19 WeakPolarHBondContact O-CG2 3.2Å; L15-T19 PolarHBondContact O-N 3.2Å; L15-T19 PolarHBondContact O-OG1 3.07Å
16N81Confident76.5Confident104 Ų104101.4 Ų101.456%0.55653%0.531SS*.Hα-helixtrans-66.4-35.9175.5-69.3-17.9000112.6K12 S13 T19 F20K12-N16 WeakPolarHBondContact O-CB 3.5Å; K12-N16 PolarHBondContact O-N 3.24Å; K12-N16 PolarHBondContact O-ND2 2.98Å; S13-N16 PolarHBondContact O-N 3.41Å; N16-T19 WeakPolarHBondContact CA-OG1 3.34Å; N16-T19 PolarHBondContact O-OG1 3.46Å; N16-F20 WeakPolarHBondContact O-CB 3.47Å; N16-F20 PolarHBondContact O-N 2.86Å
17F81.2Confident78.2Confident122 Ų12295.5 Ų95.554%0.53552%0.515SS..Hα-helixtrans-68-40.8174.5-173.4-107.7000111.3S13 W14 L15 F20 L21S13-F17 WeakPolarHBondContact O-CB 3.35Å; S13-F17 PolarHBondContact O-N 3.43Å; W14-F17 PolarHBondContact O-N 3.47Å; L15-F17 VanDerWaalsContact C-N 3.35Å; F17-F20 PolarHBondContact O-N 3.04Å; F17-L21 HydrophobicContact CD1-CD1 3.83Å; F17-L21 HydrophobicContact CD1-CG 4.44Å; F17-L21 HydrophobicContact CE1-CD1 3.42Å; F17-L21 VanDerWaalsContact CE1-CD1 3.42Å; F17-L21 HydrophobicContact CE1-CG 4.15Å; F17-L21 HydrophobicContact CZ-CD1 3.93Å; F17-L21 HydrophobicContact CZ-CD2 4.45Å; F17-L21 HydrophobicContact CZ-CG 4.27Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 2.99Å
18L81.6Confident79.7Confident84 Ų8492.7 Ų92.744%0.4451%0.509SS..Hα-helixtrans-64.9-43.1176.7-145.894000111.7W14 L15 F20 L21 C22W14-L18 WeakPolarHBondContact O-CB 3.33Å; W14-L18 PolarHBondContact O-N 2.91Å; L15-L18 PolarHBondContact O-N 3.4Å; L18-F20 VanDerWaalsContact C-N 3.35Å; L18-L21 PolarHBondContact O-N 3.45Å; L18-C22 WeakPolarHBondContact O-CB 3.49Å; L18-C22 PolarHBondContact O-N 3.29Å; L18-C22 PolarHBondContact O-SG 2.89Å; L18-C22 VanDerWaalsContact O-SG 3.4Å
19T83.7Confident81.1Confident84 Ų8493.5 Ų93.552%0.51552%0.515SS..Hα-helixtrans-66.6-36.5176.951.80000112L15 N16 G23L15-T19 WeakPolarHBondContact O-CG2 3.2Å; L15-T19 PolarHBondContact O-N 3.2Å; L15-T19 PolarHBondContact O-OG1 3.07Å; N16-T19 WeakPolarHBondContact CA-OG1 3.34Å; N16-T19 PolarHBondContact O-OG1 3.46Å; T19-G23 PolarHBondContact O-N 2.76Å
20F87Confident82.6Confident140 Ų14092.6 Ų92.661%0.61451%0.513SS*.Hα-helixtrans-63.9-43.1172.8179.7-97.7000112.4N16 F17 L18 G23 S24N16-F20 WeakPolarHBondContact O-CB 3.47Å; N16-F20 PolarHBondContact O-N 2.86Å; F17-F20 PolarHBondContact O-N 3.04Å; L18-F20 VanDerWaalsContact C-N 3.35Å; F20-G23 PolarHBondContact O-N 3.45Å; F20-S24 VanDerWaalsContact O-CB 3.31Å; F20-S24 WeakPolarHBondContact O-CB 3.41Å; F20-S24 PolarHBondContact O-N 2.84Å; F20-S24 PolarHBondContact O-OG 2.97Å
21L88.1Confident83.9Confident85 Ų8593.3 Ų93.345%0.44551%0.513SS..Hα-helixtrans-65-44.5176.1-74.7176.5000111.9F17 L18 S24 A25F17-L21 HydrophobicContact CD1-CD1 3.83Å; F17-L21 HydrophobicContact CD1-CG 4.44Å; F17-L21 HydrophobicContact CE1-CD1 3.42Å; F17-L21 VanDerWaalsContact CE1-CD1 3.42Å; F17-L21 HydrophobicContact CE1-CG 4.15Å; F17-L21 HydrophobicContact CZ-CD1 3.93Å; F17-L21 HydrophobicContact CZ-CD2 4.45Å; F17-L21 HydrophobicContact CZ-CG 4.27Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 2.99Å; L18-L21 PolarHBondContact O-N 3.45Å; L21-S24 PolarHBondContact O-N 3.38Å; L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 3.29Å
22C87.6Confident84.7Confident69 Ų6991.9 Ų91.947%0.46650%0.503SS..Hα-helixtrans-61.9-45.5175.2-73.30000111.6L18 S24 A25 I26L18-C22 WeakPolarHBondContact O-CB 3.49Å; L18-C22 PolarHBondContact O-N 3.29Å; L18-C22 PolarHBondContact O-SG 2.89Å; L18-C22 VanDerWaalsContact O-SG 3.4Å; C22-S24 VanDerWaalsContact C-N 3.34Å; C22-S24 PolarHBondContact O-N 3.3Å; C22-A25 PolarHBondContact O-N 3.49Å; C22-I26 WeakPolarHBondContact O-CB 3.44Å; C22-I26 WeakPolarHBondContact O-CD1 3.45Å; C22-I26 VanDerWaalsContact O-CG1 3.24Å; C22-I26 WeakPolarHBondContact O-CG1 3.45Å; C22-I26 PolarHBondContact O-N 3.02Å
23G90Very high85.3Confident43 Ų4392.3 Ų92.344%0.44351%0.507SS..Hα-helixtrans-61.7-40.7176.800000112.6T19 F20 G27T19-G23 PolarHBondContact O-N 2.76Å; F20-G23 PolarHBondContact O-N 3.45Å; G23-G27 PolarHBondContact O-N 2.89Å
24S88.5Confident85.7Confident55 Ų5593.4 Ų93.439%0.38551%0.506SS..Hα-helixtrans-67.7-40.8177.3-59.90000112.2F20 L21 C22 G27 F28F20-S24 VanDerWaalsContact O-CB 3.31Å; F20-S24 WeakPolarHBondContact O-CB 3.41Å; F20-S24 PolarHBondContact O-N 2.84Å; F20-S24 PolarHBondContact O-OG 2.97Å; L21-S24 PolarHBondContact O-N 3.38Å; C22-S24 VanDerWaalsContact C-N 3.34Å; C22-S24 PolarHBondContact O-N 3.3Å; S24-G27 PolarHBondContact O-N 3.48Å; S24-F28 WeakPolarHBondContact O-CB 3.41Å; S24-F28 PolarHBondContact O-N 2.87Å
25A90.4Very high85.9Confident54 Ų5491.2 Ų91.245%0.44650%0.502SS..Hα-helixtrans-65.8-43.8176.800000111.8L21 C22 F28 L29L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 3.29Å; C22-A25 PolarHBondContact O-N 3.49Å; A25-F28 PolarHBondContact O-N 3.21Å; A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.49Å
26I91.8Very high85.7Confident99 Ų9990.1 Ų90.151%0.50850%0.503SS..Hα-helixtrans-64.2-44.6175.7-66.8165.6000110.2C22 F28 L29 L30C22-I26 WeakPolarHBondContact O-CB 3.44Å; C22-I26 WeakPolarHBondContact O-CD1 3.45Å; C22-I26 VanDerWaalsContact O-CG1 3.24Å; C22-I26 WeakPolarHBondContact O-CG1 3.45Å; C22-I26 PolarHBondContact O-N 3.02Å; I26-F28 VanDerWaalsContact C-N 3.35Å; I26-F28 PolarHBondContact O-N 2.91Å; I26-L29 PolarHBondContact O-N 3.46Å; I26-L30 HydrophobicContact CG2-CD1 3.86Å; I26-L30 HydrophobicContact CG2-CG 4.34Å; I26-L30 WeakPolarHBondContact O-CB 3.35Å; I26-L30 WeakPolarHBondContact O-CG 3.41Å; I26-L30 PolarHBondContact O-N 2.95Å
27G92.3Very high85.5Confident36 Ų3691.5 Ų91.537%0.37151%0.509SS..Hα-helixtrans-60.4-42176.600000112.7G23 S24 L30 C31G23-G27 PolarHBondContact O-N 2.89Å; S24-G27 PolarHBondContact O-N 3.48Å; G27-L30 PolarHBondContact O-N 2.85Å; G27-C31 VanDerWaalsContact O-CB 3.32Å; G27-C31 WeakPolarHBondContact O-CB 3.46Å; G27-C31 PolarHBondContact O-N 3.19Å
28F91.2Very high85Confident150 Ų15091.9 Ų91.966%0.65852%0.516SS*.Hα-helixtrans-64.3-44175.7-177.6-96.1000112.1S24 A25 I26 C31 S32S24-F28 WeakPolarHBondContact O-CB 3.41Å; S24-F28 PolarHBondContact O-N 2.87Å; A25-F28 PolarHBondContact O-N 3.21Å; I26-F28 VanDerWaalsContact C-N 3.35Å; I26-F28 PolarHBondContact O-N 2.91Å; F28-C31 PolarHBondContact O-N 3.25Å; F28-S32 WeakPolarHBondContact O-CB 3.27Å; F28-S32 PolarHBondContact O-N 3.39Å
29L89.1Confident84.2Confident107 Ų10794 Ų9456%0.5653%0.527SS*.Hα-helixtrans-64.3-42.9177.3-73.6168.4000112.1A25 I26 S32 Q33A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.49Å; I26-L29 PolarHBondContact O-N 3.46Å; L29-S32 PolarHBondContact O-N 3.27Å; L29-S32 PolarHBondContact O-OG 3.44Å; L29-Q33 WeakPolarHBondContact O-CB 3.46Å; L29-Q33 WeakPolarHBondContact O-CG 3.46Å; L29-Q33 PolarHBondContact O-N 3.36Å
30L89.6Confident82.7Confident98 Ų9891.9 Ų91.951%0.51352%0.522SS..Hα-helixtrans-65.6-43.8176.4-72.1173.3000111.2I26 G27 Q33 L34I26-L30 HydrophobicContact CG2-CD1 3.86Å; I26-L30 HydrophobicContact CG2-CG 4.34Å; I26-L30 WeakPolarHBondContact O-CB 3.35Å; I26-L30 WeakPolarHBondContact O-CG 3.41Å; I26-L30 PolarHBondContact O-N 2.95Å; G27-L30 PolarHBondContact O-N 2.85Å; L30-Q33 PolarHBondContact O-N 2.97Å; L30-L34 WeakPolarHBondContact O-CB 3.44Å; L30-L34 PolarHBondContact O-N 3.01Å
31C88.3Confident81Confident75 Ų7594 Ų9451%0.50753%0.534SS..Hα-helixtrans-63.4-39.8174.3-94.20000112.2G27 F28 L34 F35G27-C31 VanDerWaalsContact O-CB 3.32Å; G27-C31 WeakPolarHBondContact O-CB 3.46Å; G27-C31 PolarHBondContact O-N 3.19Å; F28-C31 PolarHBondContact O-N 3.25Å; C31-L34 PolarHBondContact O-N 2.88Å; C31-F35 WeakPolarHBondContact O-CB 3.21Å; C31-F35 PolarHBondContact O-N 3.4Å
32S80.9Confident79.1Confident46 Ų4698.9 Ų98.932%0.32255%0.554SS.*Hα-helixtrans-67.5-40.3178.193.40000110.9F28 L29 F35 S36F28-S32 WeakPolarHBondContact O-CB 3.27Å; F28-S32 PolarHBondContact O-N 3.39Å; L29-S32 PolarHBondContact O-N 3.27Å; L29-S32 PolarHBondContact O-OG 3.44Å; S32-F35 PolarHBondContact O-N 3.45Å; S32-S36 WeakPolarHBondContact O-CB 3.27Å; S32-S36 PolarHBondContact O-N 3.08Å; S32-S36 PolarHBondContact O-OG 3.46Å
33Q81.2Confident77.1Confident123 Ų12398.1 Ų98.158%0.57556%0.558SS**Hα-helixtrans-65.5-42.1173.9-76.1-165.9-3300111.9L29 L30 F35 S36 I37L29-Q33 WeakPolarHBondContact O-CB 3.46Å; L29-Q33 WeakPolarHBondContact O-CG 3.46Å; L29-Q33 PolarHBondContact O-N 3.36Å; L30-Q33 PolarHBondContact O-N 2.97Å; Q33-F35 VanDerWaalsContact C-N 3.34Å; Q33-F35 PolarHBondContact O-N 3.28Å; Q33-S36 PolarHBondContact O-N 2.99Å; Q33-I37 WeakPolarHBondContact O-CB 3.49Å; Q33-I37 WeakPolarHBondContact O-CD1 3.28Å; Q33-I37 WeakPolarHBondContact O-CG1 3.49Å; Q33-I37 PolarHBondContact O-N 2.84Å
34L84.1Confident75.2Confident101 Ų101100.8 Ų100.853%0.52956%0.562SS.*Hα-helixtrans-63.5-40.2174.7-117141000111.6L30 C31 I37 L38L30-L34 WeakPolarHBondContact O-CB 3.44Å; L30-L34 PolarHBondContact O-N 3.01Å; C31-L34 PolarHBondContact O-N 2.88Å; L34-I37 PolarHBondContact O-N 3.27Å; L34-L38 HydrophobicContact CD2-CD1 3.7Å; L34-L38 HydrophobicContact CD2-CG 4.26Å; L34-L38 WeakPolarHBondContact O-CB 3.41Å; L34-L38 VanDerWaalsContact O-CG 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 2.76Å
35F79.6Confident73.3Confident134 Ų134105.4 Ų105.459%0.58858%0.581SS**Hα-helixtrans-65.5-40.6172.8-104.7-83.3000111.7C31 S32 Q33 I37 L38 L39C31-F35 WeakPolarHBondContact O-CB 3.21Å; C31-F35 PolarHBondContact O-N 3.4Å; S32-F35 PolarHBondContact O-N 3.45Å; Q33-F35 VanDerWaalsContact C-N 3.34Å; Q33-F35 PolarHBondContact O-N 3.28Å; F35-I37 VanDerWaalsContact C-N 3.29Å; F35-I37 PolarHBondContact O-N 2.84Å; F35-L38 PolarHBondContact O-N 3.42Å; F35-L39 HydrophobicContact CD1-CD1 3.68Å; F35-L39 HydrophobicContact CD1-CG 4.02Å; F35-L39 HydrophobicContact CE1-CD1 4.3Å; F35-L39 WeakPolarHBondContact O-CA 3.23Å; F35-L39 WeakPolarHBondContact O-CB 3.48Å; F35-L39 WeakPolarHBondContact O-CG 3.29Å; F35-L39 PolarHBondContact O-N 2.98Å
36S73.4Confident71.6Confident83 Ų83109.2 Ų109.258%0.5859%0.59SS**Hα-helixtrans-66.6-29.5174.3-660000112.9S32 Q33 G40S32-S36 WeakPolarHBondContact O-CB 3.27Å; S32-S36 PolarHBondContact O-N 3.08Å; S32-S36 PolarHBondContact O-OG 3.46Å; Q33-S36 PolarHBondContact O-N 2.99Å; S36-G40 WeakPolarHBondContact O-CA 3.34Å; S36-G40 PolarHBondContact O-N 2.91Å; S36-G40 VanDerWaalsContact O-N 3.16Å
37I75Confident69.8Low134 Ų134107.5 Ų107.569%0.68759%0.585SS**Hα-helixtrans-79.7-41.4175.1-67.6163.4000110.9Q33 L34 F35 G40Q33-I37 WeakPolarHBondContact O-CB 3.49Å; Q33-I37 WeakPolarHBondContact O-CD1 3.28Å; Q33-I37 WeakPolarHBondContact O-CG1 3.49Å; Q33-I37 PolarHBondContact O-N 2.84Å; L34-I37 PolarHBondContact O-N 3.27Å; F35-I37 VanDerWaalsContact C-N 3.29Å; F35-I37 PolarHBondContact O-N 2.84Å; I37-G40 WeakPolarHBondContact O-CA 3.49Å; I37-G40 PolarHBondContact O-N 3.36Å
38L72.1Confident67.9Low130 Ų130114.2 Ų114.268%0.68161%0.612SS**Hα-helixtrans-73.5-39.4179.6-78.3165.6000112.7L34 F35 G40L34-L38 HydrophobicContact CD2-CD1 3.7Å; L34-L38 HydrophobicContact CD2-CG 4.26Å; L34-L38 WeakPolarHBondContact O-CB 3.41Å; L34-L38 VanDerWaalsContact O-CG 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 2.76Å; F35-L38 PolarHBondContact O-N 3.42Å; L38-G40 PolarHBondContact O-N 3.26Å
39L65.4Low66.3Low127 Ų127108.6 Ų108.667%0.66559%0.59SS**THydrogen-bonded Turntrans-87.316.9168.4-59.9178.4000111.5F35 E41F35-L39 HydrophobicContact CD1-CD1 3.68Å; F35-L39 HydrophobicContact CD1-CG 4.02Å; F35-L39 HydrophobicContact CE1-CD1 4.3Å; F35-L39 WeakPolarHBondContact O-CA 3.23Å; F35-L39 WeakPolarHBondContact O-CB 3.48Å; F35-L39 WeakPolarHBondContact O-CG 3.29Å; F35-L39 PolarHBondContact O-N 2.98Å; L39-E41 PolarHBondContact O-N 3.45Å
40G50.3Low64.5Low41 Ų41110.3 Ų110.342%0.42360%0.599SS.*  trans-26.2105.4-179.100000110S36 I37 L38 Q42S36-G40 WeakPolarHBondContact O-CA 3.34Å; S36-G40 PolarHBondContact O-N 2.91Å; S36-G40 VanDerWaalsContact O-N 3.16Å; I37-G40 WeakPolarHBondContact O-CA 3.49Å; I37-G40 PolarHBondContact O-N 3.36Å; L38-G40 PolarHBondContact O-N 3.26Å; G40-Q42 PolarHBondContact O-N 2.95Å
41E51.5Low62.8Low184 Ų184110.7 Ų110.786%0.8660%0.598SS**  trans-50.3107.7162.9-83.5-176.9144.300103.6L39 G43L39-E41 PolarHBondContact O-N 3.45Å; E41-G43 PolarHBondContact O-N 3.35Å
42Q49.2Very low61.4Low187 Ų187111.5 Ų111.587%0.87460%0.598SS**  trans-51.596.8151.4-117.3168.6-25.900102.2G40 D44G40-Q42 PolarHBondContact O-N 2.95Å; Q42-D44 PolarHBondContact O-N 3.5Å
43G46.1Very low60.5Low53 Ų53113.7 Ų113.755%0.54661%0.605SS.*  trans-47.4120-179.200000104.7E41 I45E41-G43 PolarHBondContact O-N 3.35Å; G43-I45 PolarHBondContact O-N 2.83Å
44D50.3Low59.5Low99 Ų99108.4 Ų108.453%0.52958%0.582SS.*  trans-6883.8-179.1-131.2-8000104.3Q42 Q46 K285Q42-D44 PolarHBondContact O-N 3.5Å; D44-Q46 PolarHBondContact O-N 2.52Å; D44-K285 WeakPolarHBondContact OD1-CD 3.13Å; D44-K285 VanDerWaalsContact OD1-CE 3.31Å; D44-K285 WeakPolarHBondContact OD1-CE 3.5Å; D44-K285 IonicContact OD1-NZ 3.94Å; D44-K285 PolarHBondContact OD1-NZ 3.5Å; D44-K285 WeakPolarHBondContact OD2-CE 3.4Å; D44-K285 IonicContact OD2-NZ 3.86Å; D44-K285 PolarHBondContact OD2-NZ 3.35Å
45I48.3Very low58.2Low153 Ų153107 Ų10779%0.78557%0.572SS**  trans-66.587.8171.6-60.7173.1000102.3G43 P47G43-I45 PolarHBondContact O-N 2.83Å; I45-P47 WeakPolarHBondContact O-CD 3.22Å
46Q53Low56.7Low134 Ų134102.2 Ų102.263%0.62656%0.558SS**  trans-67.1111.7164.9-76.1-159.8-28.500105.1D44 N48D44-Q46 PolarHBondContact O-N 2.52Å; Q46-N48 PolarHBondContact O-N 3.47Å
47P54Low55.6Low63 Ų63107.3 Ų107.341%0.40956%0.564SS.*  trans-55.8142.9172.119.3-23.4000107.9I45 V49 I284I45-P47 WeakPolarHBondContact O-CD 3.22Å; P47-V49 HydrophobicContact CB-CG2 3.92Å; P47-V49 HydrophobicContact CG-CG2 3.68Å; P47-V49 WeakPolarHBondContact O-CG2 3.4Å; P47-V49 PolarHBondContact O-N 3.08Å; P47-I284 HydrophobicContact CG-CG2 3.67Å
48N52.8Low54.5Low176 Ų176103.3 Ų103.394%0.94154%0.543SS*.  trans-7381.4172.4-156.511.2000107.1Q46Q46-N48 PolarHBondContact O-N 3.47Å
49V58.4Low53.2Low32 Ų32100.4 Ų100.419%0.19453%0.533CS..  trans-81.7120-176.6-178.60000107.8P47 H51 I284 Y287P47-V49 HydrophobicContact CB-CG2 3.92Å; P47-V49 HydrophobicContact CG-CG2 3.68Å; P47-V49 WeakPolarHBondContact O-CG2 3.4Å; P47-V49 PolarHBondContact O-N 3.08Å; V49-H51 PolarHBondContact O-N 3.21Å; V49-H51 PolarHBondContact O-ND1 3.4Å; V49-I284 HydrophobicContact CG2-CG2 4.07Å; V49-Y287 HydrophobicContact CG1-CD1 4.35Å; V49-Y287 HydrophobicContact CG1-CD2 3.49Å; V49-Y287 VanDerWaalsContact CG1-CD2 3.49Å; V49-Y287 HydrophobicContact CG1-CE1 4.32Å; V49-Y287 HydrophobicContact CG1-CE2 3.54Å; V49-Y287 HydrophobicContact CG1-CG 3.94Å; V49-Y287 HydrophobicContact CG2-CD2 4.43Å
50L50.9Low52.4Low143 Ų14394.8 Ų94.875%0.74950%0.504SS*.  trans-64105.9163.6-176.867.8000107.2N52L50-N52 PolarHBondContact O-N 2.96Å
51H53.3Low52.3Low106 Ų10695.4 Ų95.449%0.49150%0.498SS..  trans-65.8101.2177.9-71.4-5.8000109.5V49 Y287V49-H51 PolarHBondContact O-N 3.21Å; V49-H51 PolarHBondContact O-ND1 3.4Å; H51-Y287 PolarHBondContact CE1-O 2.69Å; H51-Y287 PolarHBondContact ND1-O 3.2Å
52N59.4Low52.2Low93 Ų9393.2 Ų93.250%0.49749%0.492SS..  trans-72.9140.3158.5-68.3-23000107.6L50 P54L50-N52 PolarHBondContact O-N 2.96Å; N52-P54 VanDerWaalsContact O-CD 3.3Å; N52-P54 WeakPolarHBondContact O-CD 3.42Å
53D62.5Low52.3Low91 Ų9186.7 Ų86.749%0.48748%0.475SS..  trans-62.5120.9176.1161.820.2000108H55 A56D53-H55 PolarHBondContact O-N 3.3Å; D53-H55 VanDerWaalsContact O-N 3.09Å; D53-H55 WeakPolarHBondContact OD1-CA 3.27Å; D53-H55 WeakPolarHBondContact OD1-CB 3.42Å; D53-H55 PolarHBondContact OD1-N 2.98Å; D53-A56 HydrophobicContact CB-CB 3.46Å; D53-A56 VanDerWaalsContact CB-CB 3.46Å; D53-A56 WeakPolarHBondContact O-CA 3.26Å; D53-A56 VanDerWaalsContact O-CB 3.29Å; D53-A56 WeakPolarHBondContact O-CB 3.16Å; D53-A56 PolarHBondContact O-N 3.42Å; D53-A56 PolarHBondContact OD1-N 2.99Å; D53-A56 PolarHBondContact OD2-N 3.13Å
54P58.7Low52.5Low12 Ų1292.5 Ų92.58%0.07849%0.488CS..THydrogen-bonded Turntrans-68.2-7.2-177.328.9-37.6000113.8N52 F277 L288 F292N52-P54 VanDerWaalsContact O-CD 3.3Å; N52-P54 WeakPolarHBondContact O-CD 3.42Å; P54-F277 HydrophobicContact CB-CD1 4.14Å; P54-F277 HydrophobicContact CB-CE1 4.16Å; P54-L288 HydrophobicContact CB-CD2 3.75Å; P54-L288 HydrophobicContact CG-CD2 3.85Å; P54-F292 HydrophobicContact CB-CE1 4.28Å; P54-F292 HydrophobicContact CB-CZ 4.02Å; P54-F292 HydrophobicContact CG-CD2 4.44Å; P54-F292 HydrophobicContact CG-CE1 3.72Å; P54-F292 HydrophobicContact CG-CE2 3.6Å; P54-F292 HydrophobicContact CG-CZ 3.19Å
55H57.8Low52.9Low71 Ų7193.3 Ų93.333%0.32949%0.492SS..THydrogen-bonded Turntrans-110.4-1.8167.8-63.3-58.4000113.1D53 F277 F292 W293 Y318D53-H55 PolarHBondContact O-N 3.3Å; D53-H55 VanDerWaalsContact O-N 3.09Å; D53-H55 WeakPolarHBondContact OD1-CA 3.27Å; D53-H55 WeakPolarHBondContact OD1-CB 3.42Å; D53-H55 PolarHBondContact OD1-N 2.98Å; H55-F277 AromaticContact CE1-CE1 3.91Å; H55-F292 AromaticContact CD2-CE2 3.9Å; H55-F292 AromaticContact CD2-CZ 3.73Å; H55-F292 AromaticContact NE2-CE2 3.78Å; H55-F292 AromaticContact NE2-CZ 3.32Å; H55-F292 VanDerWaalsContact NE2-CZ 3.32Å; H55-F292 WeakPolarHBondContact NE2-CZ 3.49Å; H55-W293 AromaticContact CD2-NE1 3.87Å; H55-W293 AromaticContact CE1-CE2 3.92Å; H55-W293 AromaticContact CE1-CZ2 3.61Å; H55-W293 AromaticContact CE1-NE1 3.64Å; H55-W293 AromaticContact NE2-CD1 3.89Å; H55-W293 AromaticContact NE2-CE2 3.49Å; H55-W293 AromaticContact NE2-CZ2 3.67Å; H55-W293 AromaticContact NE2-NE1 2.78Å; H55-W293 PolarHBondContact NE2-NE1 3.42Å; H55-Y318 AromaticContact ND1-CZ 3.63Å; H55-Y318 PolarHBondContact ND1-OH 3.17Å
56A48.9Very low53.8Low35 Ų3589.7 Ų89.729%0.28947%0.472SS..SBendtrans-67141.717800000109.2D53 H58D53-A56 HydrophobicContact CB-CB 3.46Å; D53-A56 VanDerWaalsContact CB-CB 3.46Å; D53-A56 WeakPolarHBondContact O-CA 3.26Å; D53-A56 VanDerWaalsContact O-CB 3.29Å; D53-A56 WeakPolarHBondContact O-CB 3.16Å; D53-A56 PolarHBondContact O-N 3.42Å; D53-A56 PolarHBondContact OD1-N 2.99Å; D53-A56 PolarHBondContact OD2-N 3.13Å; A56-H58 PolarHBondContact O-N 3.31Å
57R49.7Very low55.1Low189 Ų18985.4 Ų85.471%0.71345%0.453SS*.  trans-51.5110.5167-70.6-178.5170-173.7-0.3108.9D61R57-D61 HydrophobicContact CB-CB 3.58Å; R57-D61 WeakPolarHBondContact CD-OD2 3.45Å; R57-D61 HydrophobicContact CG-CB 4.02Å; R57-D61 WeakPolarHBondContact CG-OD2 3.31Å; R57-D61 IonicContact CZ-OD2 3.61Å; R57-D61 IonicContact NE-OD2 3.96Å; R57-D61 PolarHBondContact NE-OD2 3.22Å
58H50.9Low56.4Low51 Ų5190 Ų9024%0.23647%0.469CS..  trans-54.7155.5170.4-73.4-95.5000109.8A56 D60 D61 Y318 D320A56-H58 PolarHBondContact O-N 3.31Å; H58-D60 PolarHBondContact O-N 3.35Å; H58-D61 PolarHBondContact O-N 3Å; H58-Y318 PolarHBondContact CD2-O 3.42Å; H58-Y318 VanDerWaalsContact CD2-O 3.32Å; H58-Y318 PolarHBondContact CE1-O 2.82Å; H58-Y318 WeakPolarHBondContact NE2-CB 3.07Å; H58-Y318 PolarHBondContact NE2-O 2.79Å; H58-Y318 VanDerWaalsContact NE2-O 3.12Å; H58-D320 HydrophobicContact CB-CB 3.81Å; H58-D320 IonicContact ND1-OD2 2.65Å
59S46.3Very low57.9Low68 Ų6883.6 Ų83.648%0.47644%0.444SS..G310 helixtrans-49.8-22.7-164.764.60000116.2D61 N62S59-D61 VanDerWaalsContact C-N 3.26Å; S59-D61 PolarHBondContact O-N 2.87Å; S59-N62 PolarHBondContact O-N 3.05Å
60D47.6Very low59.5Low9 Ų987.2 Ų87.25%0.04846%0.459CS..G310 helixtrans-59.7-26.2174.4-71-13.4000114.5H58 N65 S321H58-D60 PolarHBondContact O-N 3.35Å; D60-N65 VanDerWaalsContact OD1-O 3.09Å; D60-S321 WeakPolarHBondContact OD2-CB 3.49Å; D60-S321 PolarHBondContact OD2-N 2.87Å; D60-S321 VanDerWaalsContact OD2-N 3.16Å; D60-S321 PolarHBondContact OD2-OG 3.06Å
61D49.6Very low61.4Low55 Ų5584.1 Ų84.129%0.29444%0.442SS..G310 helixtrans-85.3-12.6-175.9-117.48.5000113.5R57 H58 S59 G63R57-D61 HydrophobicContact CB-CB 3.58Å; R57-D61 WeakPolarHBondContact CD-OD2 3.45Å; R57-D61 HydrophobicContact CG-CB 4.02Å; R57-D61 WeakPolarHBondContact CG-OD2 3.31Å; R57-D61 IonicContact CZ-OD2 3.61Å; R57-D61 IonicContact NE-OD2 3.96Å; R57-D61 PolarHBondContact NE-OD2 3.22Å; H58-D61 PolarHBondContact O-N 3Å; S59-D61 VanDerWaalsContact C-N 3.26Å; S59-D61 PolarHBondContact O-N 2.87Å; D61-G63 VanDerWaalsContact C-N 3.26Å; D61-G63 PolarHBondContact O-N 3.39Å
62N49.2Very low63.1Low137 Ų13784.1 Ų84.173%0.73345%0.445SS*.G310 helixtrans-85.89.2176.5-92-7.4000113.6S59 Q64S59-N62 PolarHBondContact O-N 3.05Å; N62-Q64 PolarHBondContact O-N 3.01Å
63G49.9Very low64.3Low51 Ų5181.5 Ų81.553%0.52643%0.43SS..SBendtrans70.9-0.7167.700000116.3D61D61-G63 VanDerWaalsContact C-N 3.26Å; D61-G63 PolarHBondContact O-N 3.39Å
64Q51.6Low65.2Low174 Ų17481.4 Ų81.481%0.81343%0.429SS*.SBendtrans-105.3-18.4-178-71.3-169.2-14.800115N62N62-Q64 PolarHBondContact O-N 3.01Å
65N57Low66.4Low116 Ų11684.7 Ų84.762%0.6246%0.457SS*.  trans-137.543.2-173.3-65.4-24.2000113.7D60D60-N65 VanDerWaalsContact OD1-O 3.09Å
66H68.5Low67.3Low78 Ų7884.2 Ų84.236%0.36146%0.457SS..PPolyproline II helixtrans-75.2137.5172.968.1-74000110E68H66-E68 PolarHBondContact O-N 2.76Å
67L80.6Confident68.8Low44 Ų4486.1 Ų86.123%0.2347%0.468CS..PPolyproline II helixtrans-66.5118.7179.3-170.561.9000110.6M71 S321 Y325L67-M71 HydrophobicContact CD1-CE 4.1Å; L67-M71 HydrophobicContact CD2-CE 4.15Å; L67-M71 HydrophobicContact CG-CE 4.23Å; L67-S321 WeakPolarHBondContact CB-OG 3.39Å; L67-Y325 HydrophobicContact CD2-CD2 3.49Å; L67-Y325 VanDerWaalsContact CD2-CD2 3.49Å; L67-Y325 HydrophobicContact CD2-CE2 3.48Å; L67-Y325 VanDerWaalsContact CD2-CE2 3.48Å
68E80.4Confident70.4Confident160 Ų16080.5 Ų80.575%0.74846%0.458SS*.PPolyproline II helixtrans-80.8131.8175.7-67.3-171.4176.900110.5H66H66-E68 PolarHBondContact O-N 2.76Å
69G85.4Confident71.8Confident41 Ų4184.7 Ų84.742%0.42348%0.478SS..SBendtrans79.7179.1-179.500000115.3H114G69-H114 PolarHBondContact O-CE1 3.48Å; G69-H114 VanDerWaalsContact O-CE1 3.24Å
70E91.3Very high73.5Confident108 Ų10883.7 Ų83.751%0.50547%0.466SS..  trans-114.2140.9176.8-67.1169.9103.700109.5K113 A117 Y325E70-K113 HydrophobicContact CG-CB 4.48Å; E70-K113 HydrophobicContact CG-CD 4.24Å; E70-K113 HydrophobicContact CG-CG 4.32Å; E70-A117 HydrophobicContact CB-CB 4.1Å; E70-A117 HydrophobicContact CG-CB 4.13Å; E70-Y325 WeakPolarHBondContact CA-OH 3.49Å
71M91.6Very high74.9Confident78 Ų7891.8 Ų91.838%0.38450%0.5SS..  trans-85.7127173.4-56-57.8146.100110L67 F73 Y325L67-M71 HydrophobicContact CD1-CE 4.1Å; L67-M71 HydrophobicContact CD2-CE 4.15Å; L67-M71 HydrophobicContact CG-CE 4.23Å; M71-F73 HydrophobicContact CB-CD2 4.16Å; M71-F73 HydrophobicContact CB-CE2 3.8Å; M71-F73 PolarHBondContact O-N 2.92Å; M71-Y325 HydrophobicContact CB-CD1 3.79Å; M71-Y325 HydrophobicContact CB-CD2 4.22Å; M71-Y325 HydrophobicContact CB-CE1 3.66Å; M71-Y325 HydrophobicContact CB-CE2 4.12Å; M71-Y325 HydrophobicContact CB-CG 4.04Å; M71-Y325 HydrophobicContact CG-CD1 4.12Å; M71-Y325 HydrophobicContact CG-CD2 3.62Å; M71-Y325 HydrophobicContact CG-CE1 4.12Å; M71-Y325 HydrophobicContact CG-CE2 3.64Å; M71-Y325 HydrophobicContact CG-CG 3.86Å; M71-Y325 PolarHBondContact N-OH 3.37Å; M71-Y325 VanDerWaalsContact N-OH 3.16Å
72N88Confident76.3Confident105 Ų10596.2 Ų96.256%0.56152%0.524SS*.  trans-92.391.2177.3-178.811.5000110.8N74 A75N72-N74 PolarHBondContact O-N 3.26Å; N72-N74 WeakPolarHBondContact OD1-CB 2.76Å; N72-N74 PolarHBondContact OD1-N 3.39Å; N72-A75 WeakPolarHBondContact O-CB 3.41Å; N72-A75 PolarHBondContact O-N 3.06Å; N72-A75 VanDerWaalsContact O-N 3.1Å
73F84.4Confident77.9Confident39 Ų3992.5 Ų92.517%0.17150%0.502CS..G310 helixtrans-68.2-13.5176.9-84.8-81.5000114.1M71 A75 Y325 E328 Y329 H333M71-F73 HydrophobicContact CB-CD2 4.16Å; M71-F73 HydrophobicContact CB-CE2 3.8Å; M71-F73 PolarHBondContact O-N 2.92Å; F73-A75 VanDerWaalsContact C-N 3.27Å; F73-A75 PolarHBondContact O-N 3.04Å; F73-Y325 AromaticContact CD2-CD1 3.99Å; F73-Y325 HydrophobicContact CD2-CD1 3.99Å; F73-Y325 HydrophobicContact CD2-CE1 4.49Å; F73-Y325 AromaticContact CE2-CD1 3.41Å; F73-Y325 HydrophobicContact CE2-CD1 3.41Å; F73-Y325 VanDerWaalsContact CE2-CD1 3.41Å; F73-Y325 HydrophobicContact CE2-CE1 4.26Å; F73-Y325 AromaticContact CE2-CG 3.96Å; F73-Y325 HydrophobicContact CE2-CG 3.96Å; F73-Y325 HydrophobicContact CZ-CD1 4.48Å; F73-Y325 VanDerWaalsContact CZ-O 3.28Å; F73-Y325 WeakPolarHBondContact CZ-O 3.29Å; F73-E328 HydrophobicContact CB-CG 4.3Å; F73-E328 HydrophobicContact CD1-CG 4.18Å; F73-E328 HydrophobicContact CD2-CB 4.31Å; F73-E328 HydrophobicContact CD2-CG 3.78Å; F73-E328 HydrophobicContact CE2-CB 4.2Å; F73-E328 HydrophobicContact CE2-CG 4.18Å; F73-E328 HydrophobicContact CG-CG 3.78Å; F73-E328 HydrophobicContact CZ-CB 4.36Å; F73-Y329 HydrophobicContact CE1-CD2 4.24Å; F73-Y329 HydrophobicContact CE1-CG 4.46Å; F73-H333 AromaticContact CD1-CD2 3.58Å; F73-H333 AromaticContact CD1-CE1 3.85Å; F73-H333 AromaticContact CD1-NE2 3.44Å; F73-H333 WeakPolarHBondContact CD1-NE2 3.4Å; F73-H333 AromaticContact CG-NE2 3.83Å; F73-H333 PolarHBondContact O-CE1 3.4Å
74N81.3Confident79.5Confident89 Ų8994.9 Ų94.948%0.47650%0.503SS..G310 helixtrans-81.8-4.1172.8-61.5-50.6000113.3N72 D76 S77 Q121N72-N74 PolarHBondContact O-N 3.26Å; N72-N74 WeakPolarHBondContact OD1-CB 2.76Å; N72-N74 PolarHBondContact OD1-N 3.39Å; N74-D76 PolarHBondContact O-N 3.46Å; N74-S77 WeakPolarHBondContact O-CB 3.49Å; N74-S77 PolarHBondContact O-N 2.9Å; N74-S77 VanDerWaalsContact O-N 3.14Å; N74-S77 PolarHBondContact O-OG 3.17Å; N74-Q121 PolarHBondContact ND2-OE1 2.66Å
75A84.6Confident81.2Confident80 Ų8088.6 Ų88.666%0.66148%0.476SS*.G310 helixtrans-60.2-27.1179.900000113.2N72 F73N72-A75 WeakPolarHBondContact O-CB 3.41Å; N72-A75 PolarHBondContact O-N 3.06Å; N72-A75 VanDerWaalsContact O-N 3.1Å; F73-A75 VanDerWaalsContact C-N 3.27Å; F73-A75 PolarHBondContact O-N 3.04Å
76D77.7Confident82.8Confident61 Ų6185.6 Ų85.633%0.32646%0.46SS..G310 helixtrans-115.236.8175.3-161.67.6000113.1N74 S78 Q79 H80N74-D76 PolarHBondContact O-N 3.46Å; D76-S78 PolarHBondContact O-N 3.28Å; D76-S78 PolarHBondContact OD1-OG 3.37Å; D76-Q79 PolarHBondContact O-N 2.97Å; D76-Q79 VanDerWaalsContact O-N 3.09Å; D76-Q79 WeakPolarHBondContact OD1-CG 3.44Å; D76-Q79 WeakPolarHBondContact OD2-CG 3.47Å; D76-Q79 PolarHBondContact OD2-NE2 2.84Å; D76-Q79 PolarHBondContact OD2-OE1 2.99Å; D76-H80 PolarHBondContact O-CD2 3.24Å; D76-H80 VanDerWaalsContact O-CD2 3.22Å
77S79.7Confident83.8Confident75 Ų7585.8 Ų85.852%0.52446%0.463SS..G310 helixtrans-52.5-17.3171.850.10000113.6N74 Q79 H80N74-S77 WeakPolarHBondContact O-CB 3.49Å; N74-S77 PolarHBondContact O-N 2.9Å; N74-S77 VanDerWaalsContact O-N 3.14Å; N74-S77 PolarHBondContact O-OG 3.17Å; S77-Q79 VanDerWaalsContact C-N 3.32Å; S77-Q79 PolarHBondContact O-N 2.81Å; S77-H80 PolarHBondContact O-N 3.44Å
78S81.9Confident84.3Confident72 Ų7285.1 Ų85.150%0.50346%0.464SS..G310 helixtrans-64.5-31.9176.882.60000114.2D76 H80 K81D76-S78 PolarHBondContact O-N 3.28Å; D76-S78 PolarHBondContact OD1-OG 3.37Å; S78-H80 PolarHBondContact O-N 3.35Å; S78-K81 WeakPolarHBondContact O-CG 3.49Å
79Q80.9Confident84.9Confident138 Ų13882.9 Ų82.965%0.64545%0.454SS*.G310 helixtrans-78.2-5.4177.6-73.5-173.512.400113.8D76 S77D76-Q79 PolarHBondContact O-N 2.97Å; D76-Q79 VanDerWaalsContact O-N 3.09Å; D76-Q79 WeakPolarHBondContact OD1-CG 3.44Å; D76-Q79 WeakPolarHBondContact OD2-CG 3.47Å; D76-Q79 PolarHBondContact OD2-NE2 2.84Å; D76-Q79 PolarHBondContact OD2-OE1 2.99Å; S77-Q79 VanDerWaalsContact C-N 3.32Å; S77-Q79 PolarHBondContact O-N 2.81Å
80H81.4Confident85.3Confident48 Ų4882.5 Ų82.522%0.22244%0.442CS..G310 helixtrans-106.87.8-177.3-57.8-80.5000113D76 S77 S78 D82 E83 H333D76-H80 PolarHBondContact O-CD2 3.24Å; D76-H80 VanDerWaalsContact O-CD2 3.22Å; S77-H80 PolarHBondContact O-N 3.44Å; S78-H80 PolarHBondContact O-N 3.35Å; H80-D82 VanDerWaalsContact C-N 3.27Å; H80-D82 PolarHBondContact O-N 3.11Å; H80-E83 IonicContact ND1-OE2 3.85Å; H80-E83 WeakPolarHBondContact O-CB 3.43Å; H80-E83 PolarHBondContact O-N 3.11Å; H80-H333 AromaticContact CE1-ND1 3.51Å; H80-H333 AromaticContact NE2-CE1 3.84Å; H80-H333 AromaticContact NE2-ND1 3.3Å; H80-H333 PolarHBondContact NE2-ND1 3.16Å
81K78.6Confident85.5Confident179 Ų17977.6 Ų77.678%0.77842%0.419SS*.THydrogen-bonded Turntrans-67.5-26.3-173-73.9-178.9177.7179.20114.2S78S78-K81 WeakPolarHBondContact O-CG 3.49Å
82D79Confident85.7Confident148 Ų14877.2 Ų77.279%0.79141%0.414SS*.THydrogen-bonded Turntrans-100.26.3-179.961.5-38.5000112.6H80H80-D82 VanDerWaalsContact C-N 3.27Å; H80-D82 PolarHBondContact O-N 3.11Å
83E82.3Confident86.1Confident59 Ų5978.2 Ų78.228%0.27642%0.415SS..  trans-68.4131.6174.4-174.5172.8-17000111.1H80 T85 R335H80-E83 IonicContact ND1-OE2 3.85Å; H80-E83 WeakPolarHBondContact O-CB 3.43Å; H80-E83 PolarHBondContact O-N 3.11Å; E83-T85 HydrophobicContact CB-CG2 4.43Å; E83-T85 HydrophobicContact CG-CG2 3.86Å; E83-T85 PolarHBondContact O-N 2.72Å; E83-R335 VanDerWaalsContact CD-NH1 3.27Å; E83-R335 IonicContact OE1-CZ 3.85Å; E83-R335 IonicContact OE1-NH1 2.86Å; E83-R335 PolarHBondContact OE1-NH1 2.93Å; E83-R335 IonicContact OE1-NH2 2.72Å; E83-R335 PolarHBondContact OE1-NH2 3.26Å; E83-R335 IonicContact OE2-CZ 3.3Å; E83-R335 IonicContact OE2-NH1 2.72Å; E83-R335 IonicContact OE2-NH2 2.95Å; E83-R335 PolarHBondContact OE2-NH2 2.83Å
84N84.1Confident86.6Confident100 Ų10079.1 Ų79.154%0.53542%0.419SS..  trans-83.6108.6166.7-176-57.6000109.5D86N84-D86 PolarHBondContact ND2-OD2 3.06Å; N84-D86 WeakPolarHBondContact OD1-CB 3.34Å; N84-D86 PolarHBondContact OD1-N 2.88Å; N84-D86 VanDerWaalsContact OD1-N 3.16Å; N84-D86 PolarHBondContact OD1-OD2 3.06Å
85T87.6Confident87.4Confident43 Ų4375.2 Ų75.226%0.26440%0.398SS..  trans-104.84.3178.150.10000113.2E83 I87 A88 E89E83-T85 HydrophobicContact CB-CG2 4.43Å; E83-T85 HydrophobicContact CG-CG2 3.86Å; E83-T85 PolarHBondContact O-N 2.72Å; T85-I87 VanDerWaalsContact C-N 3.3Å; T85-I87 PolarHBondContact O-N 2.89Å; T85-I87 VanDerWaalsContact O-N 3.14Å; T85-A88 PolarHBondContact O-N 3.41Å; T85-E89 WeakPolarHBondContact CB-OE1 3.13Å; T85-E89 WeakPolarHBondContact O-CG 3.34Å; T85-E89 PolarHBondContact O-N 3.36Å; T85-E89 PolarHBondContact OG1-OE1 3.21Å
86D88.9Confident88.1Confident53 Ų5375.7 Ų75.728%0.28339%0.386SS..Hα-helixtrans-53.5-43.8-169.1-56.9-23.6000113N84 N90N84-D86 PolarHBondContact ND2-OD2 3.06Å; N84-D86 WeakPolarHBondContact OD1-CB 3.34Å; N84-D86 PolarHBondContact OD1-N 2.88Å; N84-D86 VanDerWaalsContact OD1-N 3.16Å; N84-D86 PolarHBondContact OD1-OD2 3.06Å; D86-N90 VanDerWaalsContact O-CB 3.25Å; D86-N90 WeakPolarHBondContact O-CB 3.48Å; D86-N90 PolarHBondContact O-N 2.85Å
87I89.7Confident89.1Confident82 Ų8272.8 Ų72.842%0.42137%0.37SS..Hα-helixtrans-67.5-47.3179.7-64.2177.8000110.4T85 E89 N90 L91 L347 I355T85-I87 VanDerWaalsContact C-N 3.3Å; T85-I87 PolarHBondContact O-N 2.89Å; T85-I87 VanDerWaalsContact O-N 3.14Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-N90 PolarHBondContact O-N 3.13Å; I87-L91 HydrophobicContact CG2-CD1 4.05Å; I87-L91 WeakPolarHBondContact O-CB 3.35Å; I87-L91 WeakPolarHBondContact O-CG 3.38Å; I87-L91 PolarHBondContact O-N 3.07Å; I87-L347 HydrophobicContact CD1-CD1 4.4Å; I87-L347 HydrophobicContact CG2-CD1 3.81Å; I87-I355 HydrophobicContact CG1-CD1 4.15Å
88A91.4Very high90Very high30 Ų3069.2 Ų69.225%0.24835%0.345CS..Hα-helixtrans-64.2-42-178.900000110.8T85 L91 Y92T85-A88 PolarHBondContact O-N 3.41Å; A88-L91 PolarHBondContact O-N 3.38Å; A88-Y92 WeakPolarHBondContact O-CB 3.47Å; A88-Y92 PolarHBondContact O-N 3.14Å
89E92.9Very high90.8Very high113 Ų11365.9 Ų65.953%0.52832%0.321SS..Hα-helixtrans-65.3-44.5175.8-73.2179.3-161.900112.2T85 I87 L91 Y92 Q93T85-E89 WeakPolarHBondContact CB-OE1 3.13Å; T85-E89 WeakPolarHBondContact O-CG 3.34Å; T85-E89 PolarHBondContact O-N 3.36Å; T85-E89 PolarHBondContact OG1-OE1 3.21Å; I87-E89 VanDerWaalsContact C-N 3.34Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 2.75Å; E89-Y92 WeakPolarHBondContact O-CB 3.31Å; E89-Y92 PolarHBondContact O-N 3.11Å; E89-Q93 WeakPolarHBondContact O-CG 3.42Å; E89-Q93 PolarHBondContact O-N 3.04Å
90N93.4Very high91.7Very high32 Ų3259.3 Ų59.317%0.17129%0.291CS..Hα-helixtrans-59.8-46.2176-173.6-89.2000111.1D86 I87 Y92 Q93 K94 I355D86-N90 VanDerWaalsContact O-CB 3.25Å; D86-N90 WeakPolarHBondContact O-CB 3.48Å; D86-N90 PolarHBondContact O-N 2.85Å; I87-N90 PolarHBondContact O-N 3.13Å; N90-Y92 VanDerWaalsContact C-N 3.33Å; N90-Y92 PolarHBondContact O-N 3.04Å; N90-Q93 PolarHBondContact O-N 3.43Å; N90-K94 WeakPolarHBondContact O-CG 3.44Å; N90-K94 PolarHBondContact O-N 3.35Å; N90-I355 HydrophobicContact CB-CD1 4.5Å; N90-I355 HydrophobicContact CB-CG1 4.2Å
91L95.6Very high92.5Very high6 Ų657 Ų573%0.03128%0.28CS..Hα-helixtrans-62.6-39.1175.1-75.2176000112I87 A88 E89 Q93 K94 V95 R188 W189 L347 I351I87-L91 HydrophobicContact CG2-CD1 4.05Å; I87-L91 WeakPolarHBondContact O-CB 3.35Å; I87-L91 WeakPolarHBondContact O-CG 3.38Å; I87-L91 PolarHBondContact O-N 3.07Å; A88-L91 PolarHBondContact O-N 3.38Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 2.75Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 3.04Å; L91-K94 PolarHBondContact O-N 3.18Å; L91-V95 HydrophobicContact CD2-CG2 4.45Å; L91-V95 WeakPolarHBondContact O-CB 3.47Å; L91-V95 PolarHBondContact O-N 3.18Å; L91-R188 HydrophobicContact CB-CB 4.05Å; L91-W189 HydrophobicContact CD1-CB 4.42Å; L91-L347 HydrophobicContact CD1-CD2 4.27Å; L91-L347 HydrophobicContact CD2-CD2 4.41Å; L91-I351 HydrophobicContact CD2-CD1 3.82Å
92Y96.8Very high93.4Very high70 Ų7048.9 Ų48.928%0.27525%0.245SC..Hα-helixtrans-59.5-38.1176.7-178.4-82.4000112.5A88 E89 N90 R122 C123 N124A88-Y92 WeakPolarHBondContact O-CB 3.47Å; A88-Y92 PolarHBondContact O-N 3.14Å; E89-Y92 WeakPolarHBondContact O-CB 3.31Å; E89-Y92 PolarHBondContact O-N 3.11Å; N90-Y92 VanDerWaalsContact C-N 3.33Å; N90-Y92 PolarHBondContact O-N 3.04Å; Y92-R122 WeakPolarHBondContact CE2-O 3.44Å; Y92-C123 PolarHBondContact OH-O 3.35Å; Y92-N124 WeakPolarHBondContact CE1-ND2 3.3Å; Y92-N124 PolarHBondContact O-ND2 3.21Å
93Q96.4Very high94.3Very high125 Ų12542.1 Ų42.158%0.58421%0.209SC*.Hα-helixtrans-75.6-37177.5-62.4-56.6-33.300112.9E89 N90 L91E89-Q93 WeakPolarHBondContact O-CG 3.42Å; E89-Q93 PolarHBondContact O-N 3.04Å; N90-Q93 PolarHBondContact O-N 3.43Å; L91-Q93 VanDerWaalsContact C-N 3.27Å; L91-Q93 PolarHBondContact O-N 3.04Å
94K95.4Very high95Very high59 Ų5939.3 Ų39.326%0.25720%0.196SC..Hα-helixtrans-82.2-36.5-176-77.2-166.4168.9-155.60114.7N90 L91 D350 I351 E354N90-K94 WeakPolarHBondContact O-CG 3.44Å; N90-K94 PolarHBondContact O-N 3.35Å; L91-K94 PolarHBondContact O-N 3.18Å; K94-D350 IonicContact NZ-OD2 3.45Å; K94-D350 PolarHBondContact NZ-OD2 3.19Å; K94-I351 HydrophobicContact CD-CD1 4.21Å; K94-I351 HydrophobicContact CD-CG1 3.89Å; K94-E354 WeakPolarHBondContact CE-OE1 3.31Å; K94-E354 WeakPolarHBondContact CE-OE2 3.48Å; K94-E354 IonicContact NZ-OE1 3.38Å; K94-E354 PolarHBondContact NZ-OE1 2.96Å; K94-E354 IonicContact NZ-OE2 3.7Å; K94-E354 PolarHBondContact NZ-OE2 3.33Å
95V98Very high95.5Very high7 Ų736.9 Ų36.94%0.04219%0.186CC..SBendtrans-114.388.1-174.2-174.80000107.4L91 I97 R188 L191L91-V95 HydrophobicContact CD2-CG2 4.45Å; L91-V95 WeakPolarHBondContact O-CB 3.47Å; L91-V95 PolarHBondContact O-N 3.18Å; V95-I97 HydrophobicContact CG1-CD1 4.41Å; V95-I97 HydrophobicContact CG1-CG1 4.23Å; V95-I97 PolarHBondContact O-N 3.13Å; V95-R188 HydrophobicContact CB-CB 4.23Å; V95-R188 HydrophobicContact CB-CG 4.07Å; V95-R188 HydrophobicContact CG1-CB 4.36Å; V95-R188 HydrophobicContact CG1-CG 4.14Å; V95-R188 PolarHBondContact O-NE 3.01Å; V95-L191 HydrophobicContact CG1-CB 3.81Å; V95-L191 HydrophobicContact CG1-CD1 4.33Å
96K98.6Very high95.8Very high90 Ų9039.5 Ų39.539%0.39120%0.195SC..  trans-82118.5-176.4-63179.2-178.2173.90110.1N124 A170 D171 W172K96-N124 WeakPolarHBondContact CA-OD1 3.42Å; K96-A170 HydrophobicContact CB-CB 4.42Å; K96-D171 WeakPolarHBondContact CB-OD2 3.28Å; K96-D171 PolarHBondContact N-OD2 3.23Å; K96-D171 PolarHBondContact O-N 3.07Å; K96-W172 PolarHBondContact O-N 2.04Å
97I98.9Very high96.1Very high0 Ų038.1 Ų38.10%019%0.188CC..EExtended strand (participates in β ladder)trans-113.4120.5-178-55.2174.5000109.3V95 N124 K125 W172 L174 L184 L187 R188 L191V95-I97 HydrophobicContact CG1-CD1 4.41Å; V95-I97 HydrophobicContact CG1-CG1 4.23Å; V95-I97 PolarHBondContact O-N 3.13Å; I97-N124 PolarHBondContact N-OD1 3.32Å; I97-N124 WeakPolarHBondContact O-CB 3.42Å; I97-N124 PolarHBondContact O-N 3.36Å; I97-K125 PolarHBondContact O-N 2.88Å; I97-W172 WeakPolarHBondContact CA-O 3.46Å; I97-W172 HydrophobicContact CG1-CB 4.21Å; I97-L174 HydrophobicContact CG2-CB 3.98Å; I97-L184 HydrophobicContact CB-CD1 4.43Å; I97-L184 HydrophobicContact CD1-CD1 3.94Å; I97-L184 HydrophobicContact CG2-CD1 4.15Å; I97-L187 HydrophobicContact CD1-CB 4.46Å; I97-L187 HydrophobicContact CD1-CD2 3.95Å; I97-L187 HydrophobicContact CD1-CG 3.92Å; I97-R188 HydrophobicContact CD1-CG 3.55Å; I97-R188 HydrophobicContact CG1-CG 4.42Å; I97-L191 HydrophobicContact CD1-CD1 3.9Å; I97-L191 HydrophobicContact CG1-CD1 4.26Å
98L98.9Very high96.4Very high0 Ų034.4 Ų34.40%017%0.169CC..EExtended strand (participates in β ladder)trans-91120.2163.3-173.4154.7000108.6W100 K125 L127 V162 Y166 A170 W172 F173 L174L98-W100 HydrophobicContact CD2-CB 4.35Å; L98-K125 WeakPolarHBondContact CA-O 3.22Å; L98-K125 HydrophobicContact CB-CB 4.45Å; L98-K125 HydrophobicContact CD1-CB 4.19Å; L98-K125 HydrophobicContact CD1-CD 3.9Å; L98-K125 HydrophobicContact CD1-CG 4.07Å; L98-K125 HydrophobicContact CG-CB 4.05Å; L98-K125 HydrophobicContact CG-CG 4.21Å; L98-L127 HydrophobicContact CD1-CD1 4.42Å; L98-L127 HydrophobicContact CD2-CD1 4.14Å; L98-L127 HydrophobicContact CD2-CG 4.45Å; L98-V162 HydrophobicContact CD1-CG1 4.3Å; L98-V162 HydrophobicContact CD2-CG1 4.05Å; L98-V162 HydrophobicContact CD2-CG2 4.07Å; L98-Y166 VanDerWaalsContact CD1-CB 3.41Å; L98-Y166 HydrophobicContact CD1-CD2 4.49Å; L98-Y166 HydrophobicContact CD1-CG 3.99Å; L98-A170 HydrophobicContact CB-CB 3.62Å; L98-W172 PolarHBondContact N-O 3.4Å; L98-F173 HydrophobicContact CB-CD1 4.01Å; L98-F173 HydrophobicContact CB-CE1 4.25Å; L98-F173 HydrophobicContact CD1-CE1 4.44Å; L98-F173 HydrophobicContact CD2-CD1 4.38Å; L98-F173 WeakPolarHBondContact O-CA 3.39Å; L98-L174 PolarHBondContact O-N 3.11Å
99C98.9Very high96.4Very high1 Ų138.4 Ų38.41%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-95.4128.8174.2-54.10000109.1W119 C123 K125 V126 L127C99-W119 HydrophobicContact CB-CZ3 4.29Å; C99-C123 HydrophobicContact CB-CB 3.84Å; C99-C123 WeakPolarHBondContact CB-SG 3.26Å; C99-C123 WeakPolarHBondContact SG-CB 3.26Å; C99-C123 CovalentContact SG-SG 2.04Å; C99-C123 PolarHBondContact SG-SG 3.21Å; C99-K125 PolarHBondContact N-O 3.1Å; C99-V126 CarbonylContact O-C 3.59Å; C99-V126 VanDerWaalsContact O-CA 3.29Å; C99-V126 WeakPolarHBondContact O-CA 3.44Å; C99-L127 PolarHBondContact O-N 3.47Å
100W98.6Very high96.4Very high0 Ų037 Ų370%018%0.175CC..EExtended strand (participates in β ladder)trans-118.8128.7164.170.7-90.9000109.8L98 M102 L127 M129 T155 A158 F159 V162 L174 K175 A176L98-W100 HydrophobicContact CD2-CB 4.35Å; W100-M102 HydrophobicContact CH2-CE 3.75Å; W100-M102 HydrophobicContact CZ3-CB 3.97Å; W100-M102 HydrophobicContact CZ3-CE 3.64Å; W100-M102 HydrophobicContact CZ3-SD 4.2Å; W100-L127 CarbonylContact C-O 3.55Å; W100-L127 VanDerWaalsContact CA-O 3.26Å; W100-L127 WeakPolarHBondContact CA-O 3.37Å; W100-L127 HydrophobicContact CB-CB 4.27Å; W100-M129 HydrophobicContact CB-CE 3.86Å; W100-M129 HydrophobicContact CB-CG 4.02Å; W100-M129 HydrophobicContact CD2-CG 4.34Å; W100-M129 HydrophobicContact CE3-CB 4.12Å; W100-M129 HydrophobicContact CE3-CG 3.73Å; W100-M129 HydrophobicContact CG-CE 4.49Å; W100-T155 HydrophobicContact CH2-CG2 4.18Å; W100-T155 HydrophobicContact CZ2-CG2 4.23Å; W100-A158 HydrophobicContact CD2-CB 4.07Å; W100-A158 HydrophobicContact CE3-CB 3.82Å; W100-A158 HydrophobicContact CH2-CB 3.95Å; W100-A158 HydrophobicContact CZ2-CB 4.2Å; W100-A158 HydrophobicContact CZ3-CB 3.76Å; W100-F159 AromaticContact CE2-CE1 3.88Å; W100-F159 AromaticContact CE2-CZ 3.81Å; W100-F159 HydrophobicContact CZ2-CD2 4.09Å; W100-F159 HydrophobicContact CZ2-CE1 4.14Å; W100-F159 AromaticContact CZ2-CE2 3.64Å; W100-F159 HydrophobicContact CZ2-CE2 3.64Å; W100-F159 AromaticContact CZ2-CZ 3.66Å; W100-F159 HydrophobicContact CZ2-CZ 3.66Å; W100-F159 AromaticContact NE1-CD1 3.68Å; W100-F159 AromaticContact NE1-CE1 3.08Å; W100-F159 AromaticContact NE1-CZ 3.36Å; W100-V162 HydrophobicContact CB-CG2 4.47Å; W100-V162 HydrophobicContact CG-CG2 4.5Å; W100-L174 VanDerWaalsContact CD1-O 3.29Å; W100-L174 PolarHBondContact N-O 2.86Å; W100-K175 HydrophobicContact CD2-CB 4.34Å; W100-K175 HydrophobicContact CD2-CG 4.25Å; W100-K175 HydrophobicContact CE3-CG 4.3Å; W100-K175 HydrophobicContact CH2-CB 4.08Å; W100-K175 HydrophobicContact CH2-CD 4.36Å; W100-K175 HydrophobicContact CH2-CG 3.21Å; W100-K175 HydrophobicContact CZ2-CB 3.42Å; W100-K175 VanDerWaalsContact CZ2-CB 3.42Å; W100-K175 HydrophobicContact CZ2-CG 3.1Å; W100-K175 HydrophobicContact CZ3-CG 3.83Å; W100-A176 PolarHBondContact O-N 2.96Å; W100-A176 VanDerWaalsContact O-N 3.12Å
101V98.7Very high96.4Very high0 Ų037.2 Ų37.20%017%0.174CC..EExtended strand (participates in β ladder)trans-104.5118-174.9-179.30000108.2T103 V115 W119 V126 L127 F128 M129 A176 D178V101-T103 PolarHBondContact O-N 2.93Å; V101-V115 HydrophobicContact CG1-CG1 4.38Å; V101-V115 HydrophobicContact CG2-CG1 3.93Å; V101-W119 HydrophobicContact CG2-CH2 3.8Å; V101-W119 HydrophobicContact CG2-CZ2 4.16Å; V101-V126 HydrophobicContact CG2-CG2 4.46Å; V101-L127 PolarHBondContact N-O 3.23Å; V101-F128 HydrophobicContact CB-CD1 3.81Å; V101-F128 HydrophobicContact CB-CE1 4.06Å; V101-F128 HydrophobicContact CG1-CD1 4.13Å; V101-F128 HydrophobicContact CG1-CE1 4.28Å; V101-F128 HydrophobicContact CG2-CD1 4.29Å; V101-F128 HydrophobicContact CG2-CE1 4.07Å; V101-M129 PolarHBondContact O-N 3.07Å; V101-A176 CarbonylContact C-O 3.59Å; V101-A176 WeakPolarHBondContact CA-O 3.38Å; V101-D178 HydrophobicContact CG1-CB 4.12Å
102M98Very high96.5Very high9 Ų937 Ų374%0.04417%0.172CC..EExtended strand (participates in β ladder)trans-69.3121.4172.1-175.273.978.700109W100 L151 K154 T155 A176 D177 D178W100-M102 HydrophobicContact CH2-CE 3.75Å; W100-M102 HydrophobicContact CZ3-CB 3.97Å; W100-M102 HydrophobicContact CZ3-CE 3.64Å; W100-M102 HydrophobicContact CZ3-SD 4.2Å; M102-L151 HydrophobicContact CG-CD2 4.47Å; M102-K154 HydrophobicContact CE-CB 3.72Å; M102-K154 HydrophobicContact SD-CB 3.52Å; M102-K154 VanDerWaalsContact SD-CB 3.52Å; M102-K154 HydrophobicContact SD-CD 4.07Å; M102-K154 HydrophobicContact SD-CG 4.36Å; M102-T155 WeakPolarHBondContact CE-OG1 3Å; M102-A176 PolarHBondContact N-O 3.5Å; M102-D177 WeakPolarHBondContact CB-OD1 3.39Å; M102-D178 PolarHBondContact O-N 2.59Å
103T97.2Very high96.5Very high5 Ų534.5 Ų34.53%0.03116%0.163CC..  trans-148.2-176.8176.8-166.60000110.9V101 N107 L108 A112 F128 M129 K154 D178V101-T103 PolarHBondContact O-N 2.93Å; T103-N107 WeakPolarHBondContact OG1-CB 3.45Å; T103-L108 HydrophobicContact CG2-CD2 3.59Å; T103-A112 HydrophobicContact CG2-CB 4.38Å; T103-F128 HydrophobicContact CG2-CB 4.35Å; T103-M129 PolarHBondContact N-O 3.41Å; T103-K154 PolarHBondContact O-NZ 2.92Å; T103-D178 WeakPolarHBondContact CA-OD2 3.38Å; T103-D178 VanDerWaalsContact CB-OD2 3.32Å; T103-D178 WeakPolarHBondContact CB-OD2 3.05Å; T103-D178 PolarHBondContact OG1-OD2 2.92Å
104G96.1Very high96.4Very high1 Ų128.6 Ų28.61%0.0114%0.136CC..  trans-143.2166.6174.800000111.2Q106 N107 L108G104-Q106 PolarHBondContact O-N 3.1Å; G104-Q106 VanDerWaalsContact O-N 3.1Å; G104-N107 PolarHBondContact O-N 2.8Å; G104-L108 PolarHBondContact O-N 3.49Å
105P95.9Very high96.6Very high49 Ų4925.8 Ų25.832%0.31812%0.123SC..G310 helixtrans-52.4-38.7-175.5-28.436.4000113.5N107 S130 S131 E132P105-N107 VanDerWaalsContact C-N 3.25Å; P105-N107 PolarHBondContact O-N 3.45Å; P105-S130 WeakPolarHBondContact CD-OG 3.1Å; P105-S131 VanDerWaalsContact CD-OG 3.26Å; P105-S131 WeakPolarHBondContact CD-OG 3.44Å; P105-E132 HydrophobicContact CG-CB 4.03Å; P105-E132 HydrophobicContact CG-CG 4.28Å
106Q93.8Very high96.5Very high97 Ų9729.8 Ų29.845%0.45314%0.14SC..G310 helixtrans-69-18.3179.270-77.73.600114.7G104 E146G104-Q106 PolarHBondContact O-N 3.1Å; G104-Q106 VanDerWaalsContact O-N 3.1Å; Q106-E146 PolarHBondContact NE2-OE2 3.06Å
107N94.9Very high96.3Very high24 Ų2425.9 Ų25.913%0.12813%0.125CC..G310 helixtrans-106-8.4-174.1-73.6-4.1000113.4T103 G104 P105 E109 K110 K111 A112 D178T103-N107 WeakPolarHBondContact OG1-CB 3.45Å; G104-N107 PolarHBondContact O-N 2.8Å; P105-N107 VanDerWaalsContact C-N 3.25Å; P105-N107 PolarHBondContact O-N 3.45Å; N107-E109 PolarHBondContact O-N 3.12Å; N107-K110 PolarHBondContact O-N 2.84Å; N107-K111 HydrophobicContact CB-CB 4.32Å; N107-K111 HydrophobicContact CB-CD 4.41Å; N107-K111 HydrophobicContact CB-CG 4.46Å; N107-K111 WeakPolarHBondContact O-CA 3.33Å; N107-K111 PolarHBondContact O-N 2.03Å; N107-A112 PolarHBondContact O-N 3.28Å; N107-D178 WeakPolarHBondContact CB-OD2 3.47Å; N107-D178 PolarHBondContact ND2-OD2 3.34Å
108L95.2Very high96.2Very high4 Ų425.9 Ų25.92%0.02113%0.125CC..Iπ-helixtrans-55.8-53.6-176.7-60.1-179.5000111.3T103 G104 A112 K113 N134 F137 A139T103-L108 HydrophobicContact CG2-CD2 3.59Å; G104-L108 PolarHBondContact O-N 3.49Å; L108-A112 HydrophobicContact CD2-CB 4.39Å; L108-A112 PolarHBondContact O-N 2.85Å; L108-K113 PolarHBondContact O-N 3.29Å; L108-N134 HydrophobicContact CD1-CB 3.64Å; L108-N134 WeakPolarHBondContact CD1-ND2 3.32Å; L108-F137 HydrophobicContact CB-CB 4.39Å; L108-F137 HydrophobicContact CB-CD1 4.14Å; L108-F137 HydrophobicContact CB-CG 4.14Å; L108-F137 HydrophobicContact CD1-CB 4.35Å; L108-F137 HydrophobicContact CD1-CD1 4.47Å; L108-F137 HydrophobicContact CD2-CD1 3.74Å; L108-F137 HydrophobicContact CD2-CE1 4.08Å; L108-F137 HydrophobicContact CG-CD1 4.32Å; L108-A139 HydrophobicContact CD1-CB 4.46Å; L108-A139 HydrophobicContact CD2-CB 4.08Å
109E92.7Very high96.2Very high114 Ų11425.9 Ų25.953%0.53313%0.125SC..Iπ-helixtrans-79.5-20.2179.5-68.4-54.6135.300114.3N107 K113N107-E109 PolarHBondContact O-N 3.12Å; E109-K113 WeakPolarHBondContact O-CD 3.4Å; E109-K113 WeakPolarHBondContact O-CE 3.34Å; E109-K113 PolarHBondContact O-NZ 2.85Å
110K91.7Very high96.1Very high85 Ų8526.1 Ų26.137%0.3713%0.127SC..Iπ-helixtrans-95.1-27.6-174.5-64-177.3-177.8178.90113.3N107 H114N107-K110 PolarHBondContact O-N 2.84Å; K110-H114 PolarHBondContact O-CD2 3.41Å; K110-H114 VanDerWaalsContact O-CD2 3.27Å
111K95.2Very high96Very high36 Ų3630.8 Ų30.816%0.15715%0.149CC..Iπ-helixtrans-136.7-56.7-170.3-61.3-168.9177.5-167.90111.9N107 K113 H114 V115 D178 D179N107-K111 HydrophobicContact CB-CB 4.32Å; N107-K111 HydrophobicContact CB-CD 4.41Å; N107-K111 HydrophobicContact CB-CG 4.46Å; N107-K111 WeakPolarHBondContact O-CA 3.33Å; N107-K111 PolarHBondContact O-N 2.03Å; K111-K113 VanDerWaalsContact C-N 3.29Å; K111-K113 PolarHBondContact O-N 3.39Å; K111-H114 WeakPolarHBondContact O-CB 3.19Å; K111-H114 PolarHBondContact O-N 2.85Å; K111-V115 PolarHBondContact O-N 3.44Å; K111-D178 HydrophobicContact CB-CB 3.99Å; K111-D178 VanDerWaalsContact CD-OD1 3.3Å; K111-D178 WeakPolarHBondContact CD-OD1 3.24Å; K111-D178 IonicContact NZ-OD1 3.44Å; K111-D179 IonicContact NZ-OD2 3.89Å
112A96.6Very high95.9Very high0 Ų033.2 Ų33.20%016%0.158CC..Iπ-helixtrans-62.3-34.1-17100000113.1T103 N107 L108 H114 V115 K116 F128 F137T103-A112 HydrophobicContact CG2-CB 4.38Å; N107-A112 PolarHBondContact O-N 3.28Å; L108-A112 HydrophobicContact CD2-CB 4.39Å; L108-A112 PolarHBondContact O-N 2.85Å; A112-H114 VanDerWaalsContact C-N 3.28Å; A112-H114 PolarHBondContact O-N 3.27Å; A112-V115 WeakPolarHBondContact O-CB 3.1Å; A112-V115 PolarHBondContact O-N 2.94Å; A112-K116 PolarHBondContact O-N 2.88Å; A112-F128 HydrophobicContact CB-CD1 3.93Å; A112-F128 HydrophobicContact CB-CE1 4.15Å; A112-F137 VanDerWaalsContact C-CZ 3.47Å; A112-F137 HydrophobicContact CB-CE1 3.67Å; A112-F137 HydrophobicContact CB-CZ 3.59Å
113K95.9Very high95.9Very high19 Ų1933.2 Ų33.28%0.08316%0.158CC..Hα-helixtrans-60-36.8173.476.6177.1-171.4-152.90113E70 L108 E109 K111 K116 A117 F137E70-K113 HydrophobicContact CG-CB 4.48Å; E70-K113 HydrophobicContact CG-CD 4.24Å; E70-K113 HydrophobicContact CG-CG 4.32Å; L108-K113 PolarHBondContact O-N 3.29Å; E109-K113 WeakPolarHBondContact O-CD 3.4Å; E109-K113 WeakPolarHBondContact O-CE 3.34Å; E109-K113 PolarHBondContact O-NZ 2.85Å; K111-K113 VanDerWaalsContact C-N 3.29Å; K111-K113 PolarHBondContact O-N 3.39Å; K113-K116 WeakPolarHBondContact O-CB 3.43Å; K113-K116 PolarHBondContact O-N 3.22Å; K113-A117 VanDerWaalsContact O-CB 3.31Å; K113-A117 WeakPolarHBondContact O-CB 3.05Å; K113-A117 PolarHBondContact O-N 2.98Å; K113-F137 HydrophobicContact CB-CD2 4.49Å; K113-F137 HydrophobicContact CB-CE2 3.74Å
114H96.1Very high96Very high1 Ų134.9 Ų34.91%0.00517%0.167CC..Hα-helixtrans-72.4-36.6179.4-57-65.1000111.3G69 K110 K111 A112 A117 T118 S321 M324 Y325G69-H114 PolarHBondContact O-CE1 3.48Å; G69-H114 VanDerWaalsContact O-CE1 3.24Å; K110-H114 PolarHBondContact O-CD2 3.41Å; K110-H114 VanDerWaalsContact O-CD2 3.27Å; K111-H114 WeakPolarHBondContact O-CB 3.19Å; K111-H114 PolarHBondContact O-N 2.85Å; A112-H114 VanDerWaalsContact C-N 3.28Å; A112-H114 PolarHBondContact O-N 3.27Å; H114-A117 PolarHBondContact O-N 3.2Å; H114-T118 WeakPolarHBondContact O-CB 3.44Å; H114-T118 WeakPolarHBondContact O-CG2 2.99Å; H114-T118 PolarHBondContact O-N 3.42Å; H114-T118 VanDerWaalsContact O-N 3.12Å; H114-T118 PolarHBondContact O-OG1 2.83Å; H114-S321 WeakPolarHBondContact CD2-CB 3.26Å; H114-M324 VanDerWaalsContact C-SD 3.56Å; H114-M324 HydrophobicContact CB-SD 4.04Å; H114-Y325 HydrophobicContact CB-CE2 4.42Å; H114-Y325 AromaticContact ND1-CE2 3.3Å; H114-Y325 VanDerWaalsContact ND1-CE2 3.3Å; H114-Y325 WeakPolarHBondContact ND1-CE2 3.41Å; H114-Y325 AromaticContact ND1-CZ 3.45Å; H114-Y325 PolarHBondContact ND1-OH 3.47Å
115V97.8Very high96.1Very high0 Ų038 Ų380%018%0.181CC..Hα-helixtrans-58.6-48.5169.1169.70000110.7V101 K111 A112 A117 T118 W119 A120 F128 M324V101-V115 HydrophobicContact CG1-CG1 4.38Å; V101-V115 HydrophobicContact CG2-CG1 3.93Å; K111-V115 PolarHBondContact O-N 3.44Å; A112-V115 WeakPolarHBondContact O-CB 3.1Å; A112-V115 PolarHBondContact O-N 2.94Å; V115-A117 VanDerWaalsContact C-N 3.3Å; V115-A117 PolarHBondContact O-N 2.88Å; V115-T118 PolarHBondContact O-N 3.01Å; V115-T118 PolarHBondContact O-OG1 3.25Å; V115-W119 HydrophobicContact CB-CZ2 4.49Å; V115-W119 HydrophobicContact CG1-CD2 4.3Å; V115-W119 VanDerWaalsContact CG1-CE2 3.48Å; V115-W119 HydrophobicContact CG1-CH2 4.07Å; V115-W119 HydrophobicContact CG1-CZ2 3.36Å; V115-W119 HydrophobicContact CG2-CZ2 4.42Å; V115-A120 HydrophobicContact CG1-CB 3.93Å; V115-A120 WeakPolarHBondContact O-CB 3.4Å; V115-A120 PolarHBondContact O-N 2.95Å; V115-F128 HydrophobicContact CB-CE1 4.31Å; V115-F128 HydrophobicContact CG1-CE1 3.99Å; V115-F128 HydrophobicContact CG1-CZ 4.41Å; V115-M324 HydrophobicContact CB-SD 4.37Å; V115-M324 HydrophobicContact CG2-CE 3.64Å; V115-M324 HydrophobicContact CG2-SD 3.76Å; V115-M324 PolarHBondContact N-SD 2.79Å
116K96.6Very high96.2Very high90 Ų9038.2 Ų38.239%0.39118%0.18SC..Hα-helixtrans-59.3-39.9176.7-171.5-177.2171.8-168.90112.4A112 K113 T118 Q121 F128 F137A112-K116 PolarHBondContact O-N 2.88Å; K113-K116 WeakPolarHBondContact O-CB 3.43Å; K113-K116 PolarHBondContact O-N 3.22Å; K116-T118 VanDerWaalsContact C-N 3.28Å; K116-T118 PolarHBondContact O-N 2.77Å; K116-Q121 WeakPolarHBondContact O-CG 3.34Å; K116-F128 HydrophobicContact CB-CE2 4.13Å; K116-F128 HydrophobicContact CB-CZ 3.62Å; K116-F128 HydrophobicContact CD-CE2 4.37Å; K116-F128 HydrophobicContact CG-CE2 4.17Å; K116-F128 HydrophobicContact CG-CZ 4.14Å; K116-F137 HydrophobicContact CB-CZ 4.4Å; K116-F137 HydrophobicContact CD-CE2 4.09Å; K116-F137 HydrophobicContact CD-CZ 4.23Å
117A95.6Very high96.4Very high9 Ų934.3 Ų34.37%0.07416%0.163CC..Hα-helixtrans-76.6-9.2-179.700000114.1E70 K113 H114 V115 Q121 Y325E70-A117 HydrophobicContact CB-CB 4.1Å; E70-A117 HydrophobicContact CG-CB 4.13Å; K113-A117 VanDerWaalsContact O-CB 3.31Å; K113-A117 WeakPolarHBondContact O-CB 3.05Å; K113-A117 PolarHBondContact O-N 2.98Å; H114-A117 PolarHBondContact O-N 3.2Å; V115-A117 VanDerWaalsContact C-N 3.3Å; V115-A117 PolarHBondContact O-N 2.88Å; A117-Q121 VanDerWaalsContact C-NE2 3.28Å; A117-Q121 PolarHBondContact O-NE2 2.72Å; A117-Y325 HydrophobicContact CB-CE1 4.2Å
118T96.8Very high96.6Very high0 Ų033.6 Ų33.60%016%0.158CC..THydrogen-bonded Turntrans-124.2-115.3-176.156.80000111.2H114 V115 K116 A120 Q121 M324 Y325 E328H114-T118 WeakPolarHBondContact O-CB 3.44Å; H114-T118 WeakPolarHBondContact O-CG2 2.99Å; H114-T118 PolarHBondContact O-N 3.42Å; H114-T118 VanDerWaalsContact O-N 3.12Å; H114-T118 PolarHBondContact O-OG1 2.83Å; V115-T118 PolarHBondContact O-N 3.01Å; V115-T118 PolarHBondContact O-OG1 3.25Å; K116-T118 VanDerWaalsContact C-N 3.28Å; K116-T118 PolarHBondContact O-N 2.77Å; T118-A120 PolarHBondContact O-N 2.66Å; T118-A120 VanDerWaalsContact O-N 3.14Å; T118-Q121 WeakPolarHBondContact O-CB 3.31Å; T118-Q121 WeakPolarHBondContact O-CG 3.4Å; T118-Q121 PolarHBondContact O-N 2.67Å; T118-Q121 VanDerWaalsContact O-N 3.13Å; T118-M324 HydrophobicContact CG2-CG 4.33Å; T118-Y325 HydrophobicContact CG2-CD1 3.28Å; T118-Y325 HydrophobicContact CG2-CE1 3.3Å; T118-Y325 HydrophobicContact CG2-CG 4.42Å; T118-E328 WeakPolarHBondContact CB-OE2 3.38Å; T118-E328 HydrophobicContact CG2-CB 4.15Å; T118-E328 HydrophobicContact CG2-CG 4.25Å
119W97.8Very high96.7Very high0 Ų033.4 Ų33.40%016%0.157CC..G310 helixtrans-62.9-28-167.563.9-95.8000113.9C99 V101 V115 Q121 R122 L174 A176 T180 Y181 V182 L184C99-W119 HydrophobicContact CB-CZ3 4.29Å; V101-W119 HydrophobicContact CG2-CH2 3.8Å; V101-W119 HydrophobicContact CG2-CZ2 4.16Å; V115-W119 HydrophobicContact CB-CZ2 4.49Å; V115-W119 HydrophobicContact CG1-CD2 4.3Å; V115-W119 VanDerWaalsContact CG1-CE2 3.48Å; V115-W119 HydrophobicContact CG1-CH2 4.07Å; V115-W119 HydrophobicContact CG1-CZ2 3.36Å; V115-W119 HydrophobicContact CG2-CZ2 4.42Å; W119-Q121 PolarHBondContact O-N 3.36Å; W119-R122 PolarHBondContact O-N 3.2Å; W119-L174 HydrophobicContact CZ3-CD2 4.49Å; W119-A176 HydrophobicContact CH2-CB 3.73Å; W119-A176 HydrophobicContact CZ2-CB 4.02Å; W119-T180 PolarHBondContact NE1-O 3.41Å; W119-Y181 HydrophobicContact CB-CD2 4.22Å; W119-Y181 HydrophobicContact CB-CE2 3.96Å; W119-Y181 AromaticContact CD1-CD2 3.55Å; W119-Y181 HydrophobicContact CG-CD2 4.19Å; W119-Y181 HydrophobicContact CG-CE2 4.41Å; W119-V182 WeakPolarHBondContact CB-O 3.43Å; W119-V182 HydrophobicContact CD2-CB 4.08Å; W119-V182 HydrophobicContact CD2-CG2 4.28Å; W119-V182 HydrophobicContact CE3-CB 3.91Å; W119-V182 HydrophobicContact CE3-CG2 4.21Å; W119-V182 HydrophobicContact CH2-CG2 4.08Å; W119-V182 HydrophobicContact CZ2-CG2 4.13Å; W119-V182 HydrophobicContact CZ3-CB 4.2Å; W119-V182 HydrophobicContact CZ3-CG2 4.12Å; W119-L184 HydrophobicContact CE3-CD2 3.6Å; W119-L184 HydrophobicContact CZ3-CD2 4.15Å
120A97.5Very high97Very high5 Ų528 Ų284%0.04113%0.132CC..G310 helixtrans-65.5-20.4-179.400000113V115 T118 R122 C123 V126V115-A120 HydrophobicContact CG1-CB 3.93Å; V115-A120 WeakPolarHBondContact O-CB 3.4Å; V115-A120 PolarHBondContact O-N 2.95Å; T118-A120 PolarHBondContact O-N 2.66Å; T118-A120 VanDerWaalsContact O-N 3.14Å; A120-R122 PolarHBondContact O-N 2.97Å; A120-C123 WeakPolarHBondContact O-CB 3.18Å; A120-C123 PolarHBondContact O-N 3.18Å; A120-C123 VanDerWaalsContact O-N 3.11Å; A120-V126 HydrophobicContact CB-CG2 4.04Å
121Q95.6Very high97.2Very high99 Ų9924.2 Ų24.246%0.46312%0.116SC..G310 helixtrans-59.9-24173.1-63-173.130.900112.5N74 K116 A117 T118 W119N74-Q121 PolarHBondContact ND2-OE1 2.66Å; K116-Q121 WeakPolarHBondContact O-CG 3.34Å; A117-Q121 VanDerWaalsContact C-NE2 3.28Å; A117-Q121 PolarHBondContact O-NE2 2.72Å; T118-Q121 WeakPolarHBondContact O-CB 3.31Å; T118-Q121 WeakPolarHBondContact O-CG 3.4Å; T118-Q121 PolarHBondContact O-N 2.67Å; T118-Q121 VanDerWaalsContact O-N 3.13Å; W119-Q121 PolarHBondContact O-N 3.36Å
122R97Very high97.2Very high51 Ų5128.8 Ų28.819%0.19214%0.139CC..G310 helixtrans-91.82.1-179.7-64.5175.3-173.274.7-2113.2Y92 W119 A120 L184 R188 E328 Y332Y92-R122 WeakPolarHBondContact CE2-O 3.44Å; W119-R122 PolarHBondContact O-N 3.2Å; A120-R122 PolarHBondContact O-N 2.97Å; R122-L184 HydrophobicContact CB-CB 3.92Å; R122-L184 HydrophobicContact CB-CG 4.26Å; R122-R188 PolarHBondContact O-NH1 3.43Å; R122-R188 PolarHBondContact O-NH2 2.63Å; R122-E328 IonicContact CZ-OE1 3.68Å; R122-E328 IonicContact NH1-OE1 3.24Å; R122-E328 PolarHBondContact NH1-OE1 3.5Å; R122-E328 IonicContact NH1-OE2 2.75Å; R122-E328 PolarHBondContact NH1-OE2 3.32Å; R122-E328 IonicContact NH2-OE1 3.87Å; R122-E328 PolarHBondContact NH2-OE1 3.38Å; R122-Y332 VanDerWaalsContact CD-CZ 3.48Å; R122-Y332 WeakPolarHBondContact CD-OH 3.37Å; R122-Y332 VanDerWaalsContact CZ-CD2 3.43Å; R122-Y332 VanDerWaalsContact NE-CZ 3.26Å
123C98.3Very high97.3Very high8 Ų835 Ų355%0.05417%0.168CC..SBendtrans-74.8151.5170.8-61.90000110.5Y92 C99 A120 K125 V126Y92-C123 PolarHBondContact OH-O 3.35Å; C99-C123 HydrophobicContact CB-CB 3.84Å; C99-C123 WeakPolarHBondContact CB-SG 3.26Å; C99-C123 WeakPolarHBondContact SG-CB 3.26Å; C99-C123 CovalentContact SG-SG 2.04Å; C99-C123 PolarHBondContact SG-SG 3.21Å; A120-C123 WeakPolarHBondContact O-CB 3.18Å; A120-C123 PolarHBondContact O-N 3.18Å; A120-C123 VanDerWaalsContact O-N 3.11Å; C123-K125 VanDerWaalsContact C-N 3.3Å; C123-K125 WeakPolarHBondContact CB-O 3.42Å; C123-V126 HydrophobicContact CB-CB 4.39Å
124N98.4Very high97.3Very high41 Ų4136.5 Ų36.522%0.21918%0.176CC..SBendtrans-72.8-33.1171-61.781.5000110.5Y92 K96 I97 R188Y92-N124 WeakPolarHBondContact CE1-ND2 3.3Å; Y92-N124 PolarHBondContact O-ND2 3.21Å; K96-N124 WeakPolarHBondContact CA-OD1 3.42Å; I97-N124 PolarHBondContact N-OD1 3.32Å; I97-N124 WeakPolarHBondContact O-CB 3.42Å; I97-N124 PolarHBondContact O-N 3.36Å; N124-R188 PolarHBondContact OD1-NH2 3.24Å
125K98.4Very high97.1Very high67 Ų6744.1 Ų44.129%0.29121%0.21SC..EExtended strand (participates in β ladder)trans-146141.3169.4-177.1162.1-68.6-1620109.1I97 L98 C99 C123 Y166 D169I97-K125 PolarHBondContact O-N 2.88Å; L98-K125 WeakPolarHBondContact CA-O 3.22Å; L98-K125 HydrophobicContact CB-CB 4.45Å; L98-K125 HydrophobicContact CD1-CB 4.19Å; L98-K125 HydrophobicContact CD1-CD 3.9Å; L98-K125 HydrophobicContact CD1-CG 4.07Å; L98-K125 HydrophobicContact CG-CB 4.05Å; L98-K125 HydrophobicContact CG-CG 4.21Å; C99-K125 PolarHBondContact N-O 3.1Å; C123-K125 VanDerWaalsContact C-N 3.3Å; C123-K125 WeakPolarHBondContact CB-O 3.42Å; K125-Y166 HydrophobicContact CD-CD1 3.61Å; K125-Y166 HydrophobicContact CD-CE1 3.85Å; K125-Y166 HydrophobicContact CD-CG 4.14Å; K125-Y166 VanDerWaalsContact NZ-CE1 3.35Å; K125-D169 IonicContact NZ-OD2 2.75Å; K125-D169 PolarHBondContact NZ-OD2 2.95Å
126V98.4Very high96.9Very high52 Ų5251.6 Ų51.632%0.31525%0.25SC..EExtended strand (participates in β ladder)trans-123.9135.2174.560.50000110.3C99 V101 A120 C123 F128C99-V126 CarbonylContact O-C 3.59Å; C99-V126 VanDerWaalsContact O-CA 3.29Å; C99-V126 WeakPolarHBondContact O-CA 3.44Å; V101-V126 HydrophobicContact CG2-CG2 4.46Å; A120-V126 HydrophobicContact CB-CG2 4.04Å; C123-V126 HydrophobicContact CB-CB 4.39Å; V126-F128 HydrophobicContact CG1-CE2 4.34Å; V126-F128 HydrophobicContact CG2-CD2 4.37Å; V126-F128 HydrophobicContact CG2-CE2 3.78Å; V126-F128 HydrophobicContact CG2-CZ 3.86Å
127L98.6Very high96.7Very high16 Ų1647.8 Ų47.88%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-125.6133.4172.7-59.7178.5000109.5L98 C99 W100 V101 M129 Y161 V162 Y166L98-L127 HydrophobicContact CD1-CD1 4.42Å; L98-L127 HydrophobicContact CD2-CD1 4.14Å; L98-L127 HydrophobicContact CD2-CG 4.45Å; C99-L127 PolarHBondContact O-N 3.47Å; W100-L127 CarbonylContact C-O 3.55Å; W100-L127 VanDerWaalsContact CA-O 3.26Å; W100-L127 WeakPolarHBondContact CA-O 3.37Å; W100-L127 HydrophobicContact CB-CB 4.27Å; V101-L127 PolarHBondContact N-O 3.23Å; L127-M129 HydrophobicContact CB-CE 3.73Å; L127-M129 HydrophobicContact CB-SD 4.48Å; L127-M129 HydrophobicContact CD1-CE 3.52Å; L127-M129 HydrophobicContact CG-CE 4.29Å; L127-Y161 HydrophobicContact CD1-CD1 4.44Å; L127-Y161 HydrophobicContact CD1-CE1 4.32Å; L127-V162 HydrophobicContact CD1-CG2 3.98Å; L127-Y166 HydrophobicContact CD1-CD2 3.57Å; L127-Y166 HydrophobicContact CD1-CE2 3.64Å; L127-Y166 HydrophobicContact CD1-CG 4.48Å; L127-Y166 HydrophobicContact CD2-CE2 3.93Å; L127-Y166 HydrophobicContact CG-CE2 4.43Å
128F98.5Very high96.5Very high8 Ų851.3 Ų51.34%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-99.3117171.6-64.7-85.3000108.5V101 T103 A112 V115 K116 V126 F137 A139 V140V101-F128 HydrophobicContact CB-CD1 3.81Å; V101-F128 HydrophobicContact CB-CE1 4.06Å; V101-F128 HydrophobicContact CG1-CD1 4.13Å; V101-F128 HydrophobicContact CG1-CE1 4.28Å; V101-F128 HydrophobicContact CG2-CD1 4.29Å; V101-F128 HydrophobicContact CG2-CE1 4.07Å; T103-F128 HydrophobicContact CG2-CB 4.35Å; A112-F128 HydrophobicContact CB-CD1 3.93Å; A112-F128 HydrophobicContact CB-CE1 4.15Å; V115-F128 HydrophobicContact CB-CE1 4.31Å; V115-F128 HydrophobicContact CG1-CE1 3.99Å; V115-F128 HydrophobicContact CG1-CZ 4.41Å; K116-F128 HydrophobicContact CB-CE2 4.13Å; K116-F128 HydrophobicContact CB-CZ 3.62Å; K116-F128 HydrophobicContact CD-CE2 4.37Å; K116-F128 HydrophobicContact CG-CE2 4.17Å; K116-F128 HydrophobicContact CG-CZ 4.14Å; V126-F128 HydrophobicContact CG1-CE2 4.34Å; V126-F128 HydrophobicContact CG2-CD2 4.37Å; V126-F128 HydrophobicContact CG2-CE2 3.78Å; V126-F128 HydrophobicContact CG2-CZ 3.86Å; F128-F137 HydrophobicContact CB-CE1 4.02Å; F128-F137 AromaticContact CD1-CE1 3.89Å; F128-F137 HydrophobicContact CD1-CE1 3.89Å; F128-F137 HydrophobicContact CD1-CZ 4.24Å; F128-F137 AromaticContact CD2-CE1 3.86Å; F128-F137 HydrophobicContact CD2-CE1 3.86Å; F128-F137 HydrophobicContact CD2-CZ 4.3Å; F128-F137 HydrophobicContact CE1-CE1 4.34Å; F128-F137 HydrophobicContact CE1-CZ 4.24Å; F128-F137 HydrophobicContact CE2-CE1 4.32Å; F128-F137 HydrophobicContact CE2-CZ 4.31Å; F128-F137 AromaticContact CG-CE1 3.63Å; F128-F137 HydrophobicContact CG-CE1 3.63Å; F128-F137 HydrophobicContact CG-CZ 4.28Å; F128-F137 HydrophobicContact CZ-CZ 4.29Å; F128-A139 HydrophobicContact CB-CB 4.25Å; F128-A139 CarbonylContact O-C 3.35Å; F128-A139 VanDerWaalsContact O-CA 3.28Å; F128-A139 WeakPolarHBondContact O-CA 2.94Å; F128-V140 PolarHBondContact O-N 2.86Å
129M98.3Very high96.5Very high0 Ų051.4 Ų51.40%026%0.256CS..EExtended strand (participates in β ladder)trans-101.5112.6-173-62.6-64.8-172.700109.7W100 V101 T103 L127 V140 L142 A158 Y161 V162W100-M129 HydrophobicContact CB-CE 3.86Å; W100-M129 HydrophobicContact CB-CG 4.02Å; W100-M129 HydrophobicContact CD2-CG 4.34Å; W100-M129 HydrophobicContact CE3-CB 4.12Å; W100-M129 HydrophobicContact CE3-CG 3.73Å; W100-M129 HydrophobicContact CG-CE 4.49Å; V101-M129 PolarHBondContact O-N 3.07Å; T103-M129 PolarHBondContact N-O 3.41Å; L127-M129 HydrophobicContact CB-CE 3.73Å; L127-M129 HydrophobicContact CB-SD 4.48Å; L127-M129 HydrophobicContact CD1-CE 3.52Å; L127-M129 HydrophobicContact CG-CE 4.29Å; M129-V140 HydrophobicContact SD-CB 3.79Å; M129-V140 HydrophobicContact SD-CG1 4.05Å; M129-V140 HydrophobicContact SD-CG2 4.27Å; M129-L142 HydrophobicContact CB-CD1 4.06Å; M129-L142 HydrophobicContact SD-CD2 4.03Å; M129-A158 HydrophobicContact CB-CB 4.33Å; M129-A158 HydrophobicContact CE-CB 4.3Å; M129-A158 HydrophobicContact CG-CB 3.88Å; M129-A158 HydrophobicContact SD-CB 4.2Å; M129-Y161 HydrophobicContact CE-CD1 3.94Å; M129-Y161 HydrophobicContact SD-CD1 4.43Å; M129-V162 HydrophobicContact CE-CG2 3.56Å
130S97.5Very high96.5Very high0 Ų052.3 Ų52.30%026%0.262CS..EExtended strand (participates in β ladder)trans-120.3163.1-176175.60000110.5P105 E132 V140 L142P105-S130 WeakPolarHBondContact CD-OG 3.1Å; S130-E132 VanDerWaalsContact C-N 3.29Å; S130-E132 VanDerWaalsContact CB-O 3.22Å; S130-E132 WeakPolarHBondContact CB-O 3.41Å; S130-E132 PolarHBondContact OG-N 3.02Å; S130-E132 PolarHBondContact OG-O 2.71Å; S130-V140 PolarHBondContact N-O 3.47Å; S130-V140 VanDerWaalsContact O-O 3.09Å; S130-L142 WeakPolarHBondContact O-CB 3.49Å; S130-L142 WeakPolarHBondContact O-CG 3.49Å; S130-L142 PolarHBondContact O-N 3Å
131S96.4Very high96.5Very high6 Ų653.1 Ų53.14%0.04227%0.27CS..SBendtrans-63.3-39.6168.840.50000111.8P105 L142 K143 T144 E146P105-S131 VanDerWaalsContact CD-OG 3.26Å; P105-S131 WeakPolarHBondContact CD-OG 3.44Å; S131-L142 PolarHBondContact O-N 3.1Å; S131-K143 WeakPolarHBondContact O-CA 3.25Å; S131-K143 PolarHBondContact O-N 3.25Å; S131-T144 WeakPolarHBondContact CB-O 3.39Å; S131-E146 WeakPolarHBondContact CB-OE1 3.48Å; S131-E146 PolarHBondContact OG-OE1 3.31Å
132E96.3Very high96.5Very high133 Ų13349.1 Ų49.162%0.62125%0.252SS*.SBendtrans-115.8145.6-177.9-61.9178.1-158.100111.2P105 S130 G141P105-E132 HydrophobicContact CG-CB 4.03Å; P105-E132 HydrophobicContact CG-CG 4.28Å; S130-E132 VanDerWaalsContact C-N 3.29Å; S130-E132 VanDerWaalsContact CB-O 3.22Å; S130-E132 WeakPolarHBondContact CB-O 3.41Å; S130-E132 PolarHBondContact OG-N 3.02Å; S130-E132 PolarHBondContact OG-O 2.71Å; E132-G141 VanDerWaalsContact C-CA 3.48Å
133E97.2Very high96.4Very high131 Ų13156.3 Ų56.361%0.61229%0.285SS*.  trans-70135.8174.7-175.1-174.4-175.800109.5K135 A139E133-K135 HydrophobicContact CG-CG 4.47Å; E133-K135 WeakPolarHBondContact OE1-CE 3.4Å; E133-A139 WeakPolarHBondContact CA-O 3.3Å
134N96.4Very high96.1Very high49 Ų4957.2 Ų57.226%0.26229%0.29SS..BIsolated β-bridgetrans-129.9125.3168.6-174.3-42.4000107.8L108 D136 F137 P138 A139L108-N134 HydrophobicContact CD1-CB 3.64Å; L108-N134 WeakPolarHBondContact CD1-ND2 3.32Å; N134-D136 PolarHBondContact OD1-N 3.24Å; N134-F137 CarbonylContact C-O 3.48Å; N134-F137 CarbonylContact O-C 3.48Å; N134-F137 PolarHBondContact OD1-N 3.02Å; N134-P138 CarbonylContact O-C 3.59Å; N134-P138 WeakPolarHBondContact O-CA 3.45Å; N134-A139 HydrophobicContact CB-CB 4.3Å; N134-A139 PolarHBondContact N-O 2.92Å; N134-A139 PolarHBondContact O-N 3.4Å
135K92.2Very high95.9Very high162 Ų16262.6 Ų62.670%0.70431%0.312SS*.THydrogen-bonded Turntrans-90.4-24-177.5-66.6-176.2179.9178.60113.1E133E133-K135 HydrophobicContact CG-CG 4.47Å; E133-K135 WeakPolarHBondContact OE1-CE 3.4Å
136D93.4Very high95.6Very high157 Ų15762.6 Ų62.684%0.8431%0.313SS*.THydrogen-bonded Turntrans-74.8-44.8178.8-58.8-34.5000110N134 P138N134-D136 PolarHBondContact OD1-N 3.24Å; D136-P138 WeakPolarHBondContact O-CD 3.47Å
137F92.2Very high95Very high9 Ų961.8 Ų61.84%0.03932%0.315CS..THydrogen-bonded Turntrans-106.691.3164.9-168-81.6000107L108 A112 K113 K116 F128 N134 A139L108-F137 HydrophobicContact CB-CB 4.39Å; L108-F137 HydrophobicContact CB-CD1 4.14Å; L108-F137 HydrophobicContact CB-CG 4.14Å; L108-F137 HydrophobicContact CD1-CB 4.35Å; L108-F137 HydrophobicContact CD1-CD1 4.47Å; L108-F137 HydrophobicContact CD2-CD1 3.74Å; L108-F137 HydrophobicContact CD2-CE1 4.08Å; L108-F137 HydrophobicContact CG-CD1 4.32Å; A112-F137 VanDerWaalsContact C-CZ 3.47Å; A112-F137 HydrophobicContact CB-CE1 3.67Å; A112-F137 HydrophobicContact CB-CZ 3.59Å; K113-F137 HydrophobicContact CB-CD2 4.49Å; K113-F137 HydrophobicContact CB-CE2 3.74Å; K116-F137 HydrophobicContact CB-CZ 4.4Å; K116-F137 HydrophobicContact CD-CE2 4.09Å; K116-F137 HydrophobicContact CD-CZ 4.23Å; F128-F137 HydrophobicContact CB-CE1 4.02Å; F128-F137 AromaticContact CD1-CE1 3.89Å; F128-F137 HydrophobicContact CD1-CE1 3.89Å; F128-F137 HydrophobicContact CD1-CZ 4.24Å; F128-F137 AromaticContact CD2-CE1 3.86Å; F128-F137 HydrophobicContact CD2-CE1 3.86Å; F128-F137 HydrophobicContact CD2-CZ 4.3Å; F128-F137 HydrophobicContact CE1-CE1 4.34Å; F128-F137 HydrophobicContact CE1-CZ 4.24Å; F128-F137 HydrophobicContact CE2-CE1 4.32Å; F128-F137 HydrophobicContact CE2-CZ 4.31Å; F128-F137 AromaticContact CG-CE1 3.63Å; F128-F137 HydrophobicContact CG-CE1 3.63Å; F128-F137 HydrophobicContact CG-CZ 4.28Å; F128-F137 HydrophobicContact CZ-CZ 4.29Å; N134-F137 CarbonylContact C-O 3.48Å; N134-F137 CarbonylContact O-C 3.48Å; N134-F137 PolarHBondContact OD1-N 3.02Å; F137-A139 HydrophobicContact CD1-CB 4.42Å; F137-A139 WeakPolarHBondContact O-CB 3.11Å; F137-A139 PolarHBondContact O-N 3.37Å
138P91.4Very high94.4Very high83 Ų8370.8 Ų70.854%0.53935%0.348SS..THydrogen-bonded Turntrans-5973.3-161.525.9-37.4000113.7N134 D136N134-P138 CarbonylContact O-C 3.59Å; N134-P138 WeakPolarHBondContact O-CA 3.45Å; D136-P138 WeakPolarHBondContact O-CD 3.47Å
139A96.7Very high94Very high3 Ų374.7 Ų74.73%0.02537%0.369CS..EExtended strand (participates in β ladder)trans-99.7130.9-175.300000108.6L108 F128 E133 N134 F137 G141L108-A139 HydrophobicContact CD1-CB 4.46Å; L108-A139 HydrophobicContact CD2-CB 4.08Å; F128-A139 HydrophobicContact CB-CB 4.25Å; F128-A139 CarbonylContact O-C 3.35Å; F128-A139 VanDerWaalsContact O-CA 3.28Å; F128-A139 WeakPolarHBondContact O-CA 2.94Å; E133-A139 WeakPolarHBondContact CA-O 3.3Å; N134-A139 HydrophobicContact CB-CB 4.3Å; N134-A139 PolarHBondContact N-O 2.92Å; N134-A139 PolarHBondContact O-N 3.4Å; F137-A139 HydrophobicContact CD1-CB 4.42Å; F137-A139 WeakPolarHBondContact O-CB 3.11Å; F137-A139 PolarHBondContact O-N 3.37Å; A139-G141 PolarHBondContact O-N 2.84Å
140V97.9Very high93.7Very high19 Ų1976.4 Ų76.412%0.11538%0.377CS..EExtended strand (participates in β ladder)trans-74.6119.6177.7178.90000108.6F128 M129 S130 L142 Y161F128-V140 PolarHBondContact O-N 2.86Å; M129-V140 HydrophobicContact SD-CB 3.79Å; M129-V140 HydrophobicContact SD-CG1 4.05Å; M129-V140 HydrophobicContact SD-CG2 4.27Å; S130-V140 PolarHBondContact N-O 3.47Å; S130-V140 VanDerWaalsContact O-O 3.09Å; V140-L142 HydrophobicContact CG1-CD2 4.3Å; V140-L142 PolarHBondContact O-N 3.31Å; V140-Y161 HydrophobicContact CB-CE1 4.23Å; V140-Y161 HydrophobicContact CG1-CD1 3.87Å; V140-Y161 HydrophobicContact CG1-CD2 3.93Å; V140-Y161 HydrophobicContact CG1-CE1 3.59Å; V140-Y161 HydrophobicContact CG1-CE2 3.72Å; V140-Y161 HydrophobicContact CG1-CG 4.01Å; V140-Y161 HydrophobicContact CG2-CD1 4.46Å; V140-Y161 HydrophobicContact CG2-CE1 3.65Å
141G96.9Very high93.5Very high22 Ų2279.2 Ų79.223%0.22739%0.392CS..EExtended strand (participates in β ladder)trans-81110.2175.600000112.3E132 A139 K143E132-G141 VanDerWaalsContact C-CA 3.48Å; A139-G141 PolarHBondContact O-N 2.84Å; G141-K143 VanDerWaalsContact C-N 3.28Å; G141-K143 PolarHBondContact O-N 3.16Å
142L96.9Very high93.5Very high14 Ų1479 Ų797%0.07339%0.39CS..  trans-79.4-6.8-179-61.7-179.3000114.1M129 S130 S131 V140 T144 K154 K157 A158M129-L142 HydrophobicContact CB-CD1 4.06Å; M129-L142 HydrophobicContact SD-CD2 4.03Å; S130-L142 WeakPolarHBondContact O-CB 3.49Å; S130-L142 WeakPolarHBondContact O-CG 3.49Å; S130-L142 PolarHBondContact O-N 3Å; S131-L142 PolarHBondContact O-N 3.1Å; V140-L142 HydrophobicContact CG1-CD2 4.3Å; V140-L142 PolarHBondContact O-N 3.31Å; L142-T144 VanDerWaalsContact C-N 3.3Å; L142-T144 HydrophobicContact CB-CG2 4.11Å; L142-T144 PolarHBondContact O-N 3.13Å; L142-K154 HydrophobicContact CD1-CB 4.01Å; L142-K154 HydrophobicContact CD1-CG 4.31Å; L142-K154 VanDerWaalsContact CD1-O 3.3Å; L142-K154 WeakPolarHBondContact CD1-O 3.07Å; L142-K157 HydrophobicContact CB-CB 4.07Å; L142-K157 HydrophobicContact CD1-CB 4.22Å; L142-K157 HydrophobicContact CD2-CB 4.07Å; L142-K157 HydrophobicContact CG-CB 4.36Å; L142-A158 HydrophobicContact CD1-CB 4.1Å
143K94.7Very high93.5Very high202 Ų20277.9 Ų77.988%0.87838%0.38SS*.  trans58.740.6-178.2-53.6177.4-177.3175.30112.4S131 G141S131-K143 WeakPolarHBondContact O-CA 3.25Å; S131-K143 PolarHBondContact O-N 3.25Å; G141-K143 VanDerWaalsContact C-N 3.28Å; G141-K143 PolarHBondContact O-N 3.16Å
144T92.4Very high93.4Very high28 Ų2871.8 Ų71.817%0.17235%0.352CS..  trans-112.8176.4176.260.80000110.2S131 L142 W153 K154 K157S131-T144 WeakPolarHBondContact CB-O 3.39Å; L142-T144 VanDerWaalsContact C-N 3.3Å; L142-T144 HydrophobicContact CB-CG2 4.11Å; L142-T144 PolarHBondContact O-N 3.13Å; T144-W153 HydrophobicContact CG2-CB 4.44Å; T144-K154 HydrophobicContact CG2-CG 4.15Å; T144-K154 WeakPolarHBondContact OG1-CG 3.5Å; T144-K157 HydrophobicContact CG2-CG 4.05Å
145K92.6Very high93.5Very high154 Ų15469.5 Ų69.567%0.6734%0.339SS*.  trans-89.8164.9169.9-67.7178.4-177.5-179.60110.9Q150K145-Q150 HydrophobicContact CB-CG 3.79Å; K145-Q150 VanDerWaalsContact O-CB 3.3Å; K145-Q150 WeakPolarHBondContact O-CB 3.4Å
146E91.9Very high93.8Very high67 Ų6761.8 Ų61.831%0.31331%0.306SS..  trans-86.4156.5166.3-68.7-59.1129.400110.9Q106 S131 K154Q106-E146 PolarHBondContact NE2-OE2 3.06Å; S131-E146 WeakPolarHBondContact CB-OE1 3.48Å; S131-E146 PolarHBondContact OG-OE1 3.31Å; E146-K154 IonicContact OE1-NZ 3.26Å; E146-K154 PolarHBondContact OE1-NZ 3.34Å; E146-K154 IonicContact OE2-NZ 3.37Å; E146-K154 PolarHBondContact OE2-NZ 3.43Å
147G87.8Confident94Very high35 Ų3558.3 Ų58.336%0.36128%0.283SS..SBendtrans126.6155.9179.300000113D149 Q150G147-D149 PolarHBondContact O-N 3.44Å; G147-Q150 WeakPolarHBondContact O-CB 3.47Å; G147-Q150 PolarHBondContact O-N 2.95Å
148R85.3Confident94.3Very high205 Ų20557.9 Ų57.977%0.77428%0.281SS*.G310 helixtrans-61.7-34.7-177.1-169.7175.5-176.3168.13.2112.2Q150 L151R148-Q150 PolarHBondContact O-N 3.14Å; R148-L151 HydrophobicContact CG-CD1 4.02Å; R148-L151 WeakPolarHBondContact O-CG 3.35Å; R148-L151 PolarHBondContact O-N 3.31Å
149D89.9Confident94.7Very high89 Ų8953.9 Ų53.948%0.47626%0.255SS..G310 helixtrans-70.8-14177.364.6-54.7000113.8G147G147-D149 PolarHBondContact O-N 3.44Å
150Q92.7Very high94.7Very high37 Ų3756.2 Ų56.217%0.17327%0.266CS..G310 helixtrans-99.9-6.8-179.6-57-63.3-50.400113K145 G147 R148 Y152 W153 K154K145-Q150 HydrophobicContact CB-CG 3.79Å; K145-Q150 VanDerWaalsContact O-CB 3.3Å; K145-Q150 WeakPolarHBondContact O-CB 3.4Å; G147-Q150 WeakPolarHBondContact O-CB 3.47Å; G147-Q150 PolarHBondContact O-N 2.95Å; R148-Q150 PolarHBondContact O-N 3.14Å; Q150-Y152 VanDerWaalsContact C-N 3.32Å; Q150-Y152 PolarHBondContact O-N 3.42Å; Q150-W153 WeakPolarHBondContact O-CB 3.22Å; Q150-W153 PolarHBondContact O-N 3.45Å; Q150-K154 PolarHBondContact O-N 2.84Å
151L93.3Very high94.8Very high59 Ų5958.3 Ų58.331%0.30927%0.272SS..Hα-helixtrans-57.9-43.1-175.7-68.8175.8000112.1M102 R148 K154 T155 E247M102-L151 HydrophobicContact CG-CD2 4.47Å; R148-L151 HydrophobicContact CG-CD1 4.02Å; R148-L151 WeakPolarHBondContact O-CG 3.35Å; R148-L151 PolarHBondContact O-N 3.31Å; L151-K154 WeakPolarHBondContact O-CB 3.47Å; L151-K154 PolarHBondContact O-N 3Å; L151-T155 PolarHBondContact O-N 2.99Å; L151-T155 PolarHBondContact O-OG1 2.88Å; L151-E247 HydrophobicContact CB-CB 3.87Å; L151-E247 HydrophobicContact CB-CG 4.25Å
152Y95.9Very high94.9Very high1 Ų157.3 Ų57.30%0.00426%0.261CS..Hα-helixtrans-69.5-36.9-179.9-168.2-141.6000112.6Q150 K154 T155 I156 F231 F235 H242 E247 A250 L251Q150-Y152 VanDerWaalsContact C-N 3.32Å; Q150-Y152 PolarHBondContact O-N 3.42Å; Y152-K154 VanDerWaalsContact C-N 3.3Å; Y152-K154 PolarHBondContact O-N 2.83Å; Y152-T155 HydrophobicContact CD2-CG2 4.5Å; Y152-T155 PolarHBondContact O-N 2.83Å; Y152-I156 HydrophobicContact CD1-CD1 3.88Å; Y152-I156 HydrophobicContact CD2-CD1 4.29Å; Y152-I156 HydrophobicContact CD2-CG1 4.17Å; Y152-I156 HydrophobicContact CE1-CD1 3.84Å; Y152-I156 HydrophobicContact CE1-CG1 4.42Å; Y152-I156 HydrophobicContact CE2-CD1 4.26Å; Y152-I156 HydrophobicContact CE2-CG1 3.98Å; Y152-I156 HydrophobicContact CG-CD1 4.11Å; Y152-I156 HydrophobicContact CG-CG1 4.48Å; Y152-I156 WeakPolarHBondContact O-CD1 3.42Å; Y152-I156 VanDerWaalsContact O-CG1 3.22Å; Y152-I156 WeakPolarHBondContact O-CG1 3.27Å; Y152-I156 PolarHBondContact O-N 2.91Å; Y152-F231 HydrophobicContact CE2-CZ 4.43Å; Y152-F235 HydrophobicContact CE1-CZ 4.3Å; Y152-F235 AromaticContact CZ-CZ 3.95Å; Y152-F235 WeakPolarHBondContact OH-CZ 3.49Å; Y152-H242 HydrophobicContact CD1-CB 4.37Å; Y152-H242 AromaticContact CD1-CD2 3.75Å; Y152-H242 AromaticContact CD1-CG 3.9Å; Y152-E247 HydrophobicContact CD2-CG 4.16Å; Y152-A250 HydrophobicContact CD1-CB 3.38Å; Y152-A250 HydrophobicContact CD2-CB 4.05Å; Y152-A250 HydrophobicContact CE1-CB 3.26Å; Y152-A250 HydrophobicContact CE2-CB 3.95Å; Y152-A250 HydrophobicContact CG-CB 3.79Å; Y152-A250 PolarHBondContact OH-O 3.24Å; Y152-L251 HydrophobicContact CE2-CB 4.13Å
153W95.5Very high95Very high110 Ų11058.4 Ų58.442%0.41727%0.266SS..Hα-helixtrans-58-43.5170-86.7118000112.1T144 Q150 I156 K157 H242T144-W153 HydrophobicContact CG2-CB 4.44Å; Q150-W153 WeakPolarHBondContact O-CB 3.22Å; Q150-W153 PolarHBondContact O-N 3.45Å; W153-I156 HydrophobicContact CE3-CD1 4.32Å; W153-I156 PolarHBondContact O-N 3.43Å; W153-K157 WeakPolarHBondContact O-CB 3.49Å; W153-K157 VanDerWaalsContact O-CG 3.27Å; W153-K157 WeakPolarHBondContact O-CG 3.38Å; W153-K157 PolarHBondContact O-N 3.44Å; W153-H242 AromaticContact CD1-CD2 3.19Å; W153-H242 AromaticContact CD1-NE2 3.33Å; W153-H242 VanDerWaalsContact CD1-NE2 3.33Å; W153-H242 AromaticContact CD2-CD2 3.68Å; W153-H242 AromaticContact CE2-CD2 3.54Å; W153-H242 AromaticContact CE2-CG 3.95Å; W153-H242 AromaticContact CG-CD2 3.48Å; W153-H242 VanDerWaalsContact CG-CD2 3.48Å; W153-H242 AromaticContact CG-NE2 3.89Å; W153-H242 HydrophobicContact CZ2-CB 3.97Å; W153-H242 AromaticContact NE1-CD2 3.21Å; W153-H242 PolarHBondContact NE1-CD2 3.35Å; W153-H242 AromaticContact NE1-CG 3.72Å; W153-H242 AromaticContact NE1-NE2 3.66Å
154K96.6Very high95.1Very high3 Ų355.9 Ų55.91%0.01326%0.257CS..Hα-helixtrans-61.8-45175-71.6178.179171.80111.2M102 T103 L142 T144 E146 Q150 L151 Y152 I156 K157 A158M102-K154 HydrophobicContact CE-CB 3.72Å; M102-K154 HydrophobicContact SD-CB 3.52Å; M102-K154 VanDerWaalsContact SD-CB 3.52Å; M102-K154 HydrophobicContact SD-CD 4.07Å; M102-K154 HydrophobicContact SD-CG 4.36Å; T103-K154 PolarHBondContact O-NZ 2.92Å; L142-K154 HydrophobicContact CD1-CB 4.01Å; L142-K154 HydrophobicContact CD1-CG 4.31Å; L142-K154 VanDerWaalsContact CD1-O 3.3Å; L142-K154 WeakPolarHBondContact CD1-O 3.07Å; T144-K154 HydrophobicContact CG2-CG 4.15Å; T144-K154 WeakPolarHBondContact OG1-CG 3.5Å; E146-K154 IonicContact OE1-NZ 3.26Å; E146-K154 PolarHBondContact OE1-NZ 3.34Å; E146-K154 IonicContact OE2-NZ 3.37Å; E146-K154 PolarHBondContact OE2-NZ 3.43Å; Q150-K154 PolarHBondContact O-N 2.84Å; L151-K154 WeakPolarHBondContact O-CB 3.47Å; L151-K154 PolarHBondContact O-N 3Å; Y152-K154 VanDerWaalsContact C-N 3.3Å; Y152-K154 PolarHBondContact O-N 2.83Å; K154-I156 PolarHBondContact O-N 3.26Å; K154-K157 PolarHBondContact O-N 3.09Å; K154-A158 VanDerWaalsContact O-CB 3.26Å; K154-A158 WeakPolarHBondContact O-CB 3.46Å; K154-A158 PolarHBondContact O-N 3.3Å
155T97.8Very high95.4Very high0 Ų058.7 Ų58.70%027%0.269CS..Hα-helixtrans-60.5-46.7177-65.80000112.2W100 M102 L151 Y152 K157 A158 F159 Y221 E247 L251W100-T155 HydrophobicContact CH2-CG2 4.18Å; W100-T155 HydrophobicContact CZ2-CG2 4.23Å; M102-T155 WeakPolarHBondContact CE-OG1 3Å; L151-T155 PolarHBondContact O-N 2.99Å; L151-T155 PolarHBondContact O-OG1 2.88Å; Y152-T155 HydrophobicContact CD2-CG2 4.5Å; Y152-T155 PolarHBondContact O-N 2.83Å; T155-K157 VanDerWaalsContact C-N 3.32Å; T155-K157 PolarHBondContact O-N 2.91Å; T155-A158 PolarHBondContact O-N 3.22Å; T155-F159 HydrophobicContact CG2-CD2 3.67Å; T155-F159 HydrophobicContact CG2-CE2 3.67Å; T155-F159 WeakPolarHBondContact O-CD2 3.46Å; T155-F159 PolarHBondContact O-N 3.24Å; T155-Y221 VanDerWaalsContact CG2-OH 3.3Å; T155-Y221 WeakPolarHBondContact CG2-OH 3.28Å; T155-E247 WeakPolarHBondContact CB-OE1 3.35Å; T155-E247 HydrophobicContact CG2-CG 4.43Å; T155-E247 VanDerWaalsContact CG2-OE1 3.26Å; T155-E247 WeakPolarHBondContact CG2-OE1 3.4Å; T155-E247 WeakPolarHBondContact OG1-CG 3.01Å; T155-E247 PolarHBondContact OG1-OE1 2.62Å; T155-L251 HydrophobicContact CG2-CD1 3.99Å
156I97.8Very high95.7Very high1 Ų153.9 Ų53.91%0.00525%0.246CC..Hα-helixtrans-58.1-48.1176.8-65.7158.9000110Y152 W153 K154 Q160 F231 F235 H242Y152-I156 HydrophobicContact CD1-CD1 3.88Å; Y152-I156 HydrophobicContact CD2-CD1 4.29Å; Y152-I156 HydrophobicContact CD2-CG1 4.17Å; Y152-I156 HydrophobicContact CE1-CD1 3.84Å; Y152-I156 HydrophobicContact CE1-CG1 4.42Å; Y152-I156 HydrophobicContact CE2-CD1 4.26Å; Y152-I156 HydrophobicContact CE2-CG1 3.98Å; Y152-I156 HydrophobicContact CG-CD1 4.11Å; Y152-I156 HydrophobicContact CG-CG1 4.48Å; Y152-I156 WeakPolarHBondContact O-CD1 3.42Å; Y152-I156 VanDerWaalsContact O-CG1 3.22Å; Y152-I156 WeakPolarHBondContact O-CG1 3.27Å; Y152-I156 PolarHBondContact O-N 2.91Å; W153-I156 HydrophobicContact CE3-CD1 4.32Å; W153-I156 PolarHBondContact O-N 3.43Å; K154-I156 PolarHBondContact O-N 3.26Å; I156-Q160 HydrophobicContact CG2-CG 4.48Å; I156-Q160 WeakPolarHBondContact O-CB 3.27Å; I156-Q160 VanDerWaalsContact O-CG 3.23Å; I156-Q160 WeakPolarHBondContact O-CG 3.25Å; I156-Q160 PolarHBondContact O-N 3.26Å; I156-F231 HydrophobicContact CG1-CZ 4.2Å; I156-F235 HydrophobicContact CD1-CD1 4.34Å; I156-F235 HydrophobicContact CD1-CE1 3.39Å; I156-F235 HydrophobicContact CD1-CZ 3.55Å; I156-F235 HydrophobicContact CG1-CD1 4.49Å; I156-F235 HydrophobicContact CG1-CE1 3.74Å; I156-F235 HydrophobicContact CG1-CE2 4.16Å; I156-F235 HydrophobicContact CG1-CZ 3.55Å; I156-F235 HydrophobicContact CG2-CD1 3.96Å; I156-F235 HydrophobicContact CG2-CE1 4.04Å; I156-F235 HydrophobicContact CG2-CG 4.25Å; I156-F235 HydrophobicContact CG2-CZ 4.41Å; I156-H242 HydrophobicContact CD1-CB 4.42Å
157K98.1Very high96Very high83 Ų8351.5 Ų51.536%0.36124%0.236SC..Hα-helixtrans-67.7-39.1-179.2-70.2-70173.9-162.20112.8L142 T144 W153 K154 T155 Q160 Y161L142-K157 HydrophobicContact CB-CB 4.07Å; L142-K157 HydrophobicContact CD1-CB 4.22Å; L142-K157 HydrophobicContact CD2-CB 4.07Å; L142-K157 HydrophobicContact CG-CB 4.36Å; T144-K157 HydrophobicContact CG2-CG 4.05Å; W153-K157 WeakPolarHBondContact O-CB 3.49Å; W153-K157 VanDerWaalsContact O-CG 3.27Å; W153-K157 WeakPolarHBondContact O-CG 3.38Å; W153-K157 PolarHBondContact O-N 3.44Å; K154-K157 PolarHBondContact O-N 3.09Å; T155-K157 VanDerWaalsContact C-N 3.32Å; T155-K157 PolarHBondContact O-N 2.91Å; K157-Q160 PolarHBondContact O-N 2.87Å; K157-Y161 WeakPolarHBondContact O-CB 3.41Å; K157-Y161 PolarHBondContact O-N 3.05Å
158A98.6Very high96.5Very high0 Ų056.5 Ų56.50%025%0.25CC..Hα-helixtrans-61-50.1175.500000110.8W100 M129 L142 K154 T155 Q160 Y161 V162W100-A158 HydrophobicContact CD2-CB 4.07Å; W100-A158 HydrophobicContact CE3-CB 3.82Å; W100-A158 HydrophobicContact CH2-CB 3.95Å; W100-A158 HydrophobicContact CZ2-CB 4.2Å; W100-A158 HydrophobicContact CZ3-CB 3.76Å; M129-A158 HydrophobicContact CB-CB 4.33Å; M129-A158 HydrophobicContact CE-CB 4.3Å; M129-A158 HydrophobicContact CG-CB 3.88Å; M129-A158 HydrophobicContact SD-CB 4.2Å; L142-A158 HydrophobicContact CD1-CB 4.1Å; K154-A158 VanDerWaalsContact O-CB 3.26Å; K154-A158 WeakPolarHBondContact O-CB 3.46Å; K154-A158 PolarHBondContact O-N 3.3Å; T155-A158 PolarHBondContact O-N 3.22Å; A158-Q160 PolarHBondContact O-N 2.69Å; A158-Y161 PolarHBondContact O-N 3Å; A158-V162 WeakPolarHBondContact O-CB 3.37Å; A158-V162 VanDerWaalsContact O-CG2 3.27Å; A158-V162 WeakPolarHBondContact O-CG2 3.46Å; A158-V162 PolarHBondContact O-N 2.86Å
159F98.7Very high97.1Very high0 Ų050.4 Ų50.40%023%0.232CC..Hα-helixtrans-66.8-36.7178.2-79.7-52000113.2W100 T155 Y161 V162 H163 F173 K175 Y221 L223 L228 F231 L251W100-F159 AromaticContact CE2-CE1 3.88Å; W100-F159 AromaticContact CE2-CZ 3.81Å; W100-F159 HydrophobicContact CZ2-CD2 4.09Å; W100-F159 HydrophobicContact CZ2-CE1 4.14Å; W100-F159 AromaticContact CZ2-CE2 3.64Å; W100-F159 HydrophobicContact CZ2-CE2 3.64Å; W100-F159 AromaticContact CZ2-CZ 3.66Å; W100-F159 HydrophobicContact CZ2-CZ 3.66Å; W100-F159 AromaticContact NE1-CD1 3.68Å; W100-F159 AromaticContact NE1-CE1 3.08Å; W100-F159 AromaticContact NE1-CZ 3.36Å; T155-F159 HydrophobicContact CG2-CD2 3.67Å; T155-F159 HydrophobicContact CG2-CE2 3.67Å; T155-F159 WeakPolarHBondContact O-CD2 3.46Å; T155-F159 PolarHBondContact O-N 3.24Å; F159-Y161 VanDerWaalsContact C-N 3.34Å; F159-V162 PolarHBondContact O-N 3.19Å; F159-H163 WeakPolarHBondContact O-CB 3.27Å; F159-H163 PolarHBondContact O-N 2.77Å; F159-F173 HydrophobicContact CE1-CB 4.38Å; F159-K175 HydrophobicContact CZ-CB 4.37Å; F159-Y221 AromaticContact CE2-CE2 3.88Å; F159-Y221 HydrophobicContact CE2-CE2 3.88Å; F159-Y221 AromaticContact CZ-CE2 3.77Å; F159-Y221 HydrophobicContact CZ-CE2 3.77Å; F159-L223 HydrophobicContact CE1-CD2 3.99Å; F159-L223 HydrophobicContact CE2-CD2 4.22Å; F159-L223 HydrophobicContact CZ-CD1 4.02Å; F159-L223 HydrophobicContact CZ-CD2 3.83Å; F159-L228 HydrophobicContact CB-CD1 3.71Å; F159-L228 HydrophobicContact CD1-CD1 3.42Å; F159-L228 VanDerWaalsContact CD1-CD1 3.42Å; F159-L228 HydrophobicContact CE1-CD1 4.26Å; F159-L228 HydrophobicContact CG-CD1 3.83Å; F159-F231 HydrophobicContact CB-CD1 4Å; F159-F231 HydrophobicContact CB-CE1 3.9Å; F159-F231 HydrophobicContact CD2-CD1 4.28Å; F159-F231 AromaticContact CD2-CE1 3.92Å; F159-F231 HydrophobicContact CD2-CE1 3.92Å; F159-F231 HydrophobicContact CD2-CZ 4.48Å; F159-F231 HydrophobicContact CG-CD1 4.39Å; F159-F231 HydrophobicContact CG-CE1 4.3Å; F159-L251 HydrophobicContact CD2-CD1 4.39Å; F159-L251 HydrophobicContact CE2-CD1 3.98Å
160Q98.6Very high97.5Very high52 Ų5246.2 Ų46.224%0.24321%0.211CC..Hα-helixtrans-59.1-46171-76.6174.3-1000111.4I156 K157 A158 H163 E164 V232I156-Q160 HydrophobicContact CG2-CG 4.48Å; I156-Q160 WeakPolarHBondContact O-CB 3.27Å; I156-Q160 VanDerWaalsContact O-CG 3.23Å; I156-Q160 WeakPolarHBondContact O-CG 3.25Å; I156-Q160 PolarHBondContact O-N 3.26Å; K157-Q160 PolarHBondContact O-N 2.87Å; A158-Q160 PolarHBondContact O-N 2.69Å; Q160-H163 PolarHBondContact O-N 3.17Å; Q160-E164 WeakPolarHBondContact O-CB 3.1Å; Q160-E164 PolarHBondContact O-N 3.49Å; Q160-V232 HydrophobicContact CG-CG1 4.45Å; Q160-V232 HydrophobicContact CG-CG2 4.44Å
161Y98.7Very high97.8Very high63 Ų6346.5 Ų46.525%0.24721%0.213CC..Hα-helixtrans-64.6-46.5178.8-177.6-91.6000112L127 M129 V140 K157 A158 F159 H163 E164 H165 Y166L127-Y161 HydrophobicContact CD1-CD1 4.44Å; L127-Y161 HydrophobicContact CD1-CE1 4.32Å; M129-Y161 HydrophobicContact CE-CD1 3.94Å; M129-Y161 HydrophobicContact SD-CD1 4.43Å; V140-Y161 HydrophobicContact CB-CE1 4.23Å; V140-Y161 HydrophobicContact CG1-CD1 3.87Å; V140-Y161 HydrophobicContact CG1-CD2 3.93Å; V140-Y161 HydrophobicContact CG1-CE1 3.59Å; V140-Y161 HydrophobicContact CG1-CE2 3.72Å; V140-Y161 HydrophobicContact CG1-CG 4.01Å; V140-Y161 HydrophobicContact CG2-CD1 4.46Å; V140-Y161 HydrophobicContact CG2-CE1 3.65Å; K157-Y161 WeakPolarHBondContact O-CB 3.41Å; K157-Y161 PolarHBondContact O-N 3.05Å; A158-Y161 PolarHBondContact O-N 3Å; F159-Y161 VanDerWaalsContact C-N 3.34Å; Y161-H163 VanDerWaalsContact C-N 3.35Å; Y161-H163 PolarHBondContact O-N 2.8Å; Y161-E164 PolarHBondContact O-N 3.4Å; Y161-H165 AromaticContact CD2-CE1 3.59Å; Y161-H165 AromaticContact CD2-ND1 3.61Å; Y161-H165 AromaticContact CE2-CE1 3.57Å; Y161-H165 AromaticContact CE2-ND1 3.69Å; Y161-H165 AromaticContact CE2-NE2 3.94Å; Y161-H165 AromaticContact CG-ND1 3.92Å; Y161-H165 WeakPolarHBondContact O-CB 3.25Å; Y161-H165 PolarHBondContact O-N 2.89Å; Y161-H165 PolarHBondContact O-ND1 2.86Å; Y161-Y166 HydrophobicContact CD1-CE2 4.37Å; Y161-Y166 HydrophobicContact CE1-CD2 4.33Å; Y161-Y166 AromaticContact CE1-CE2 3.67Å; Y161-Y166 HydrophobicContact CE1-CE2 3.67Å
162V98.8Very high98.1Very high0 Ų043.9 Ų43.90%020%0.199CC..Hα-helixtrans-58.7-47175.7171.10000110.8L98 W100 L127 M129 A158 F159 E164 H165 Y166 L167 F173 L228L98-V162 HydrophobicContact CD1-CG1 4.3Å; L98-V162 HydrophobicContact CD2-CG1 4.05Å; L98-V162 HydrophobicContact CD2-CG2 4.07Å; W100-V162 HydrophobicContact CB-CG2 4.47Å; W100-V162 HydrophobicContact CG-CG2 4.5Å; L127-V162 HydrophobicContact CD1-CG2 3.98Å; M129-V162 HydrophobicContact CE-CG2 3.56Å; A158-V162 WeakPolarHBondContact O-CB 3.37Å; A158-V162 VanDerWaalsContact O-CG2 3.27Å; A158-V162 WeakPolarHBondContact O-CG2 3.46Å; A158-V162 PolarHBondContact O-N 2.86Å; F159-V162 PolarHBondContact O-N 3.19Å; V162-E164 PolarHBondContact O-N 3.46Å; V162-H165 PolarHBondContact O-N 2.73Å; V162-Y166 CarbonylContact O-C 3.53Å; V162-Y166 WeakPolarHBondContact O-CA 3.19Å; V162-Y166 PolarHBondContact O-N 2.92Å; V162-L167 PolarHBondContact O-N 3.21Å; V162-L167 VanDerWaalsContact O-N 3.13Å; V162-F173 HydrophobicContact CG1-CD1 3.32Å; V162-F173 HydrophobicContact CG1-CE1 3.58Å; V162-F173 HydrophobicContact CG1-CG 4.34Å; V162-L228 HydrophobicContact CG1-CD2 3.84Å
163H98.7Very high98.2Very high37 Ų3743.9 Ų43.917%0.17120%0.199CC..Hα-helixtrans-61.6-43.3178177-63.6000112.1F159 Q160 Y161 L167 L228 V232F159-H163 WeakPolarHBondContact O-CB 3.27Å; F159-H163 PolarHBondContact O-N 2.77Å; Q160-H163 PolarHBondContact O-N 3.17Å; Y161-H163 VanDerWaalsContact C-N 3.35Å; Y161-H163 PolarHBondContact O-N 2.8Å; H163-L167 VanDerWaalsContact O-CB 3.29Å; H163-L167 WeakPolarHBondContact O-CB 3.38Å; H163-L228 HydrophobicContact CB-CD1 4.49Å; H163-L228 HydrophobicContact CB-CD2 4.41Å; H163-L228 HydrophobicContact CB-CG 4.34Å; H163-V232 HydrophobicContact CB-CB 4.35Å; H163-V232 HydrophobicContact CB-CG1 4.35Å; H163-V232 HydrophobicContact CB-CG2 3.72Å
164E98.4Very high98.4Very high149 Ų14938.7 Ų38.770%0.69618%0.18SC*.Hα-helixtrans-68.7-36-177.4-178.7176.7-167.800112.7Q160 Y161 V162Q160-E164 WeakPolarHBondContact O-CB 3.1Å; Q160-E164 PolarHBondContact O-N 3.49Å; Y161-E164 PolarHBondContact O-N 3.4Å; V162-E164 PolarHBondContact O-N 3.46Å
165H98.5Very high98.5Very high88 Ų8838.7 Ų38.741%0.40718%0.18SC..Hα-helixtrans-109.7-24.6-168.7-60.380.3000114.3Y161 V162Y161-H165 AromaticContact CD2-CE1 3.59Å; Y161-H165 AromaticContact CD2-ND1 3.61Å; Y161-H165 AromaticContact CE2-CE1 3.57Å; Y161-H165 AromaticContact CE2-ND1 3.69Å; Y161-H165 AromaticContact CE2-NE2 3.94Å; Y161-H165 AromaticContact CG-ND1 3.92Å; Y161-H165 WeakPolarHBondContact O-CB 3.25Å; Y161-H165 PolarHBondContact O-N 2.89Å; Y161-H165 PolarHBondContact O-ND1 2.86Å; V162-H165 PolarHBondContact O-N 2.73Å
166Y98.4Very high98.5Very high52 Ų5238.8 Ų38.820%0.20418%0.18CC..Hα-helixtrans-140.510.3-164.6-57-66.7000114.5L98 K125 L127 Y161 V162 E168 D169L98-Y166 VanDerWaalsContact CD1-CB 3.41Å; L98-Y166 HydrophobicContact CD1-CD2 4.49Å; L98-Y166 HydrophobicContact CD1-CG 3.99Å; K125-Y166 HydrophobicContact CD-CD1 3.61Å; K125-Y166 HydrophobicContact CD-CE1 3.85Å; K125-Y166 HydrophobicContact CD-CG 4.14Å; K125-Y166 VanDerWaalsContact NZ-CE1 3.35Å; L127-Y166 HydrophobicContact CD1-CD2 3.57Å; L127-Y166 HydrophobicContact CD1-CE2 3.64Å; L127-Y166 HydrophobicContact CD1-CG 4.48Å; L127-Y166 HydrophobicContact CD2-CE2 3.93Å; L127-Y166 HydrophobicContact CG-CE2 4.43Å; Y161-Y166 HydrophobicContact CD1-CE2 4.37Å; Y161-Y166 HydrophobicContact CE1-CD2 4.33Å; Y161-Y166 AromaticContact CE1-CE2 3.67Å; Y161-Y166 HydrophobicContact CE1-CE2 3.67Å; V162-Y166 CarbonylContact O-C 3.53Å; V162-Y166 WeakPolarHBondContact O-CA 3.19Å; V162-Y166 PolarHBondContact O-N 2.92Å; Y166-E168 PolarHBondContact O-N 3.24Å; Y166-D169 VanDerWaalsContact CD1-OD2 3.3Å; Y166-D169 WeakPolarHBondContact CD1-OD2 3.35Å; Y166-D169 PolarHBondContact O-N 3.33Å; Y166-D169 VanDerWaalsContact O-N 3.09Å
167L98.4Very high98.5Very high17 Ų1740.1 Ų40.19%0.08919%0.187CC..G310 helixtrans-57.2-36.3179.9-177.666.1000112.7V162 H163 D169 F173 K225 L228 K229V162-L167 PolarHBondContact O-N 3.21Å; V162-L167 VanDerWaalsContact O-N 3.13Å; H163-L167 VanDerWaalsContact O-CB 3.29Å; H163-L167 WeakPolarHBondContact O-CB 3.38Å; L167-D169 VanDerWaalsContact C-N 3.33Å; L167-F173 HydrophobicContact CD1-CE2 4.19Å; L167-F173 HydrophobicContact CD1-CZ 3.98Å; L167-K225 HydrophobicContact CD1-CG 3.84Å; L167-K225 HydrophobicContact CG-CG 4.41Å; L167-K225 VanDerWaalsContact O-CE 3.27Å; L167-K225 WeakPolarHBondContact O-CE 3.27Å; L167-L228 HydrophobicContact CD1-CD2 3.89Å; L167-L228 HydrophobicContact CD1-CG 4.28Å; L167-K229 HydrophobicContact CD1-CG 3.99Å; L167-K229 HydrophobicContact CD2-CD 4.12Å; L167-K229 HydrophobicContact CD2-CG 3.7Å; L167-K229 HydrophobicContact CG-CG 4.45Å
168E98.1Very high98.5Very high140 Ų14036.7 Ų36.765%0.65417%0.173SC*.G310 helixtrans-86.5-4-178.3-59.3-52.9132.800113.6Y166 K225Y166-E168 PolarHBondContact O-N 3.24Å; E168-K225 WeakPolarHBondContact OE1-CE 3.48Å; E168-K225 IonicContact OE1-NZ 2.66Å; E168-K225 PolarHBondContact OE1-NZ 3.05Å; E168-K225 IonicContact OE2-NZ 3.93Å; E168-K225 PolarHBondContact OE2-NZ 3.33Å
169D97.8Very high98.4Very high77 Ų7738 Ų3841%0.41218%0.18SC..G310 helixtrans-89.3-13.3-176.8-73.5-0.8000113.2K125 Y166 L167K125-D169 IonicContact NZ-OD2 2.75Å; K125-D169 PolarHBondContact NZ-OD2 2.95Å; Y166-D169 VanDerWaalsContact CD1-OD2 3.3Å; Y166-D169 WeakPolarHBondContact CD1-OD2 3.35Å; Y166-D169 PolarHBondContact O-N 3.33Å; Y166-D169 VanDerWaalsContact O-N 3.09Å; L167-D169 VanDerWaalsContact C-N 3.33Å
170A98.5Very high98.4Very high2 Ų238 Ų382%0.01718%0.18CC..  trans-149.1159-176.200000112.5K96 L98 F173K96-A170 HydrophobicContact CB-CB 4.42Å; L98-A170 HydrophobicContact CB-CB 3.62Å; A170-F173 HydrophobicContact CB-CE1 4.14Å; A170-F173 HydrophobicContact CB-CZ 4.23Å; A170-F173 WeakPolarHBondContact O-CZ 3.49Å
171D98.6Very high98.4Very high43 Ų4335.5 Ų35.523%0.2317%0.168CC..SBendtrans-93.7-29177.8-51.9-48.5000110.9K96 P196 K225K96-D171 WeakPolarHBondContact CB-OD2 3.28Å; K96-D171 PolarHBondContact N-OD2 3.23Å; K96-D171 PolarHBondContact O-N 3.07Å; D171-P196 HydrophobicContact CB-CB 3.84Å; D171-P196 HydrophobicContact CB-CG 3.97Å; D171-P196 VanDerWaalsContact O-CB 3.31Å; D171-P196 WeakPolarHBondContact O-CB 3.11Å; D171-K225 PolarHBondContact O-N 2.98Å; D171-K225 VanDerWaalsContact O-N 3.07Å
172W98.9Very high98.4Very high4 Ų432.6 Ų32.62%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-133.7142.2-174.4-60.895.2000111.5K96 I97 L98 L191 P196 I200 F202 V222 L223K96-W172 PolarHBondContact O-N 2.04Å; I97-W172 WeakPolarHBondContact CA-O 3.46Å; I97-W172 HydrophobicContact CG1-CB 4.21Å; L98-W172 PolarHBondContact N-O 3.4Å; W172-L191 HydrophobicContact CB-CD1 3.92Å; W172-L191 HydrophobicContact CD2-CB 4.24Å; W172-L191 HydrophobicContact CD2-CD1 3.82Å; W172-L191 HydrophobicContact CD2-CD2 3.75Å; W172-L191 HydrophobicContact CD2-CG 4.14Å; W172-L191 HydrophobicContact CE3-CD1 4.26Å; W172-L191 HydrophobicContact CE3-CD2 3.55Å; W172-L191 HydrophobicContact CE3-CG 4.41Å; W172-L191 HydrophobicContact CG-CD1 3.65Å; W172-L191 HydrophobicContact CG-CD2 4.48Å; W172-L191 HydrophobicContact CG-CG 4.43Å; W172-L191 HydrophobicContact CH2-CD2 3.93Å; W172-L191 HydrophobicContact CZ2-CB 4.21Å; W172-L191 HydrophobicContact CZ2-CD2 4.09Å; W172-L191 HydrophobicContact CZ3-CD2 3.65Å; W172-P196 HydrophobicContact CZ2-CB 4.18Å; W172-I200 HydrophobicContact CH2-CG2 4.07Å; W172-I200 HydrophobicContact CZ3-CG2 4.18Å; W172-F202 AromaticContact CH2-CE2 3.86Å; W172-F202 HydrophobicContact CH2-CE2 3.86Å; W172-F202 HydrophobicContact CZ3-CD2 4.08Å; W172-F202 AromaticContact CZ3-CE2 3.74Å; W172-F202 HydrophobicContact CZ3-CE2 3.74Å; W172-V222 HydrophobicContact CB-CG2 3.86Å; W172-V222 HydrophobicContact CE3-CG2 4.16Å; W172-L223 WeakPolarHBondContact CA-O 3.4Å
173F98.9Very high98.4Very high0 Ų033.2 Ų33.20%016%0.16CC..EExtended strand (participates in β ladder)trans-123.399.2-172.5-58.9-85.3000110.4L98 F159 V162 L167 A170 V222 L223 K225 L228L98-F173 HydrophobicContact CB-CD1 4.01Å; L98-F173 HydrophobicContact CB-CE1 4.25Å; L98-F173 HydrophobicContact CD1-CE1 4.44Å; L98-F173 HydrophobicContact CD2-CD1 4.38Å; L98-F173 WeakPolarHBondContact O-CA 3.39Å; F159-F173 HydrophobicContact CE1-CB 4.38Å; V162-F173 HydrophobicContact CG1-CD1 3.32Å; V162-F173 HydrophobicContact CG1-CE1 3.58Å; V162-F173 HydrophobicContact CG1-CG 4.34Å; L167-F173 HydrophobicContact CD1-CE2 4.19Å; L167-F173 HydrophobicContact CD1-CZ 3.98Å; A170-F173 HydrophobicContact CB-CE1 4.14Å; A170-F173 HydrophobicContact CB-CZ 4.23Å; A170-F173 WeakPolarHBondContact O-CZ 3.49Å; F173-V222 WeakPolarHBondContact O-CA 3.45Å; F173-L223 PolarHBondContact N-O 3.38Å; F173-L223 PolarHBondContact O-N 3.14Å; F173-K225 HydrophobicContact CE2-CB 4.02Å; F173-K225 HydrophobicContact CE2-CG 4.1Å; F173-L228 HydrophobicContact CB-CD2 4.28Å; F173-L228 HydrophobicContact CD1-CD2 3.65Å; F173-L228 HydrophobicContact CD2-CB 4.09Å; F173-L228 HydrophobicContact CD2-CD2 3.63Å; F173-L228 HydrophobicContact CE1-CD2 3.81Å; F173-L228 HydrophobicContact CE2-CD2 3.84Å; F173-L228 HydrophobicContact CG-CD2 3.54Å; F173-L228 HydrophobicContact CZ-CD2 3.92Å
174L98.9Very high98.4Very high1 Ų131.5 Ų31.51%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-88124.4-178.1174.568.7000110.6I97 L98 W100 W119 V182 L184 L187 V222I97-L174 HydrophobicContact CG2-CB 3.98Å; L98-L174 PolarHBondContact O-N 3.11Å; W100-L174 VanDerWaalsContact CD1-O 3.29Å; W100-L174 PolarHBondContact N-O 2.86Å; W119-L174 HydrophobicContact CZ3-CD2 4.49Å; L174-V182 HydrophobicContact CD2-CG1 3.99Å; L174-V182 HydrophobicContact CD2-CG2 4.35Å; L174-L184 HydrophobicContact CD2-CD1 4.45Å; L174-L187 HydrophobicContact CD1-CD2 4.15Å; L174-L187 HydrophobicContact CD2-CD2 3.96Å; L174-L187 HydrophobicContact CG-CD2 4.48Å; L174-V222 HydrophobicContact CB-CG2 4.42Å; L174-V222 HydrophobicContact CD1-CB 4.18Å
175K98.8Very high98.3Very high4 Ų426.3 Ų26.32%0.01713%0.129CC..EExtended strand (participates in β ladder)trans-91.2131.2161.7-177.3-89.8177.9172.80109.4W100 F159 D177 G217 G220 Y221W100-K175 HydrophobicContact CD2-CB 4.34Å; W100-K175 HydrophobicContact CD2-CG 4.25Å; W100-K175 HydrophobicContact CE3-CG 4.3Å; W100-K175 HydrophobicContact CH2-CB 4.08Å; W100-K175 HydrophobicContact CH2-CD 4.36Å; W100-K175 HydrophobicContact CH2-CG 3.21Å; W100-K175 HydrophobicContact CZ2-CB 3.42Å; W100-K175 VanDerWaalsContact CZ2-CB 3.42Å; W100-K175 HydrophobicContact CZ2-CG 3.1Å; W100-K175 HydrophobicContact CZ3-CG 3.83Å; F159-K175 HydrophobicContact CZ-CB 4.37Å; K175-D177 WeakPolarHBondContact CE-OD1 3.43Å; K175-D177 IonicContact NZ-OD1 3.66Å; K175-D177 PolarHBondContact NZ-OD1 3.15Å; K175-D177 IonicContact NZ-OD2 3.36Å; K175-D177 PolarHBondContact NZ-OD2 3.42Å; K175-G217 PolarHBondContact NZ-O 2.74Å; K175-G220 WeakPolarHBondContact O-CA 3.28Å; K175-Y221 HydrophobicContact CB-CD2 4Å; K175-Y221 HydrophobicContact CB-CE1 4.21Å; K175-Y221 HydrophobicContact CB-CE2 3.59Å; K175-Y221 HydrophobicContact CB-CG 4.45Å; K175-Y221 HydrophobicContact CD-CD1 4.23Å; K175-Y221 HydrophobicContact CD-CE1 3.66Å; K175-Y221 HydrophobicContact CG-CE1 4.09Å; K175-Y221 HydrophobicContact CG-CE2 4.17Å; K175-Y221 PolarHBondContact N-O 2.76Å; K175-Y221 PolarHBondContact O-N 3.27Å; K175-Y221 VanDerWaalsContact O-N 3.15Å
176A98.6Very high98.3Very high1 Ų123.4 Ų23.41%0.00812%0.117CC..EExtended strand (participates in β ladder)trans-136.6158.1168.100000110.9W100 V101 M102 W119 T180 V182W100-A176 PolarHBondContact O-N 2.96Å; W100-A176 VanDerWaalsContact O-N 3.12Å; V101-A176 CarbonylContact C-O 3.59Å; V101-A176 WeakPolarHBondContact CA-O 3.38Å; M102-A176 PolarHBondContact N-O 3.5Å; W119-A176 HydrophobicContact CH2-CB 3.73Å; W119-A176 HydrophobicContact CZ2-CB 4.02Å; A176-T180 HydrophobicContact CB-CG2 4.44Å; A176-V182 HydrophobicContact CB-CG2 4.35Å
177D98.3Very high98.3Very high29 Ų2921 Ų2116%0.15511%0.107CC..EExtended strand (participates in β ladder)trans-90.9161.1169.9-69-27.3000110.8M102 K175 D179 T180 G218 H317M102-D177 WeakPolarHBondContact CB-OD1 3.39Å; K175-D177 WeakPolarHBondContact CE-OD1 3.43Å; K175-D177 IonicContact NZ-OD1 3.66Å; K175-D177 PolarHBondContact NZ-OD1 3.15Å; K175-D177 IonicContact NZ-OD2 3.36Å; K175-D177 PolarHBondContact NZ-OD2 3.42Å; D177-D179 VanDerWaalsContact CB-OD1 3.3Å; D177-D179 WeakPolarHBondContact CB-OD1 3.47Å; D177-D179 PolarHBondContact O-N 3.12Å; D177-D179 VanDerWaalsContact O-N 3.1Å; D177-T180 PolarHBondContact N-OG1 3.2Å; D177-T180 VanDerWaalsContact N-OG1 3.08Å; D177-T180 WeakPolarHBondContact O-CB 3.18Å; D177-T180 PolarHBondContact O-N 3.4Å; D177-T180 PolarHBondContact O-OG1 2.82Å; D177-G218 WeakPolarHBondContact OD2-CA 3.23Å; D177-H317 IonicContact OD2-NE2 2.73Å
178D97.4Very high98.3Very high11 Ų1120.1 Ų20.16%0.05910%0.103CC..THydrogen-bonded Turntrans-68.6-1.8179.161.219.7000114.9V101 M102 T103 N107 K111V101-D178 HydrophobicContact CG1-CB 4.12Å; M102-D178 PolarHBondContact O-N 2.59Å; T103-D178 WeakPolarHBondContact CA-OD2 3.38Å; T103-D178 VanDerWaalsContact CB-OD2 3.32Å; T103-D178 WeakPolarHBondContact CB-OD2 3.05Å; T103-D178 PolarHBondContact OG1-OD2 2.92Å; N107-D178 WeakPolarHBondContact CB-OD2 3.47Å; N107-D178 PolarHBondContact ND2-OD2 3.34Å; K111-D178 HydrophobicContact CB-CB 3.99Å; K111-D178 VanDerWaalsContact CD-OD1 3.3Å; K111-D178 WeakPolarHBondContact CD-OD1 3.24Å; K111-D178 IonicContact NZ-OD1 3.44Å
179D97.4Very high98.2Very high27 Ų2714.1 Ų14.114%0.1447%0.074CC..THydrogen-bonded Turntrans-121.129.7170.556.77.5000112.2K111 D177 H317 Y318 V319K111-D179 IonicContact NZ-OD2 3.89Å; D177-D179 VanDerWaalsContact CB-OD1 3.3Å; D177-D179 WeakPolarHBondContact CB-OD1 3.47Å; D177-D179 PolarHBondContact O-N 3.12Å; D177-D179 VanDerWaalsContact O-N 3.1Å; D179-H317 CarbonylContact O-C 3.49Å; D179-H317 IonicContact OD1-CD2 2.77Å; D179-H317 PolarHBondContact OD1-CD2 2.76Å; D179-H317 IonicContact OD1-CE1 3.49Å; D179-H317 IonicContact OD1-NE2 3.19Å; D179-H317 PolarHBondContact OD1-NE2 3.37Å; D179-H317 IonicContact OD2-NE2 3.54Å; D179-Y318 PolarHBondContact O-N 2.87Å; D179-V319 WeakPolarHBondContact CA-O 3.49Å; D179-V319 PolarHBondContact O-N 2.99Å
180T98.6Very high98.2Very high0 Ų010.6 Ų10.60%06%0.056CC..EExtended strand (participates in β ladder)trans-109.2136.4171-46.20000109.9W119 A176 D177 V182 G218 F316 H317W119-T180 PolarHBondContact NE1-O 3.41Å; A176-T180 HydrophobicContact CB-CG2 4.44Å; D177-T180 PolarHBondContact N-OG1 3.2Å; D177-T180 VanDerWaalsContact N-OG1 3.08Å; D177-T180 WeakPolarHBondContact O-CB 3.18Å; D177-T180 PolarHBondContact O-N 3.4Å; D177-T180 PolarHBondContact O-OG1 2.82Å; T180-V182 HydrophobicContact CG2-CG2 3.95Å; T180-G218 PolarHBondContact OG1-O 2.96Å; T180-G218 VanDerWaalsContact OG1-O 3.05Å; T180-F316 WeakPolarHBondContact CA-O 3.05Å; T180-H317 PolarHBondContact OG1-CD2 3.21Å
181Y98.7Very high98.2Very high1 Ų110.5 Ų10.50%0.0046%0.055CC..EExtended strand (participates in β ladder)trans-105.4133.9166.8-174.7-93.1000110W119 I183 S315 F316 M324 L327 E328 V331 Y332W119-Y181 HydrophobicContact CB-CD2 4.22Å; W119-Y181 HydrophobicContact CB-CE2 3.96Å; W119-Y181 AromaticContact CD1-CD2 3.55Å; W119-Y181 HydrophobicContact CG-CD2 4.19Å; W119-Y181 HydrophobicContact CG-CE2 4.41Å; Y181-I183 HydrophobicContact CD1-CG1 4.27Å; Y181-I183 HydrophobicContact CE1-CG1 3.8Å; Y181-S315 WeakPolarHBondContact O-CA 3.15Å; Y181-S315 WeakPolarHBondContact O-CB 3.3Å; Y181-F316 PolarHBondContact N-O 3.35Å; Y181-F316 PolarHBondContact O-N 3.09Å; Y181-M324 HydrophobicContact CD2-CG 3.72Å; Y181-M324 HydrophobicContact CE2-CG 4.41Å; Y181-L327 HydrophobicContact CD1-CB 3.97Å; Y181-L327 HydrophobicContact CD1-CD1 3.97Å; Y181-L327 HydrophobicContact CD2-CB 4.21Å; Y181-L327 HydrophobicContact CE1-CB 3.89Å; Y181-L327 HydrophobicContact CE2-CB 4.14Å; Y181-L327 HydrophobicContact CG-CB 4.12Å; Y181-L327 HydrophobicContact CG-CD1 3.93Å; Y181-E328 HydrophobicContact CE2-CB 4.35Å; Y181-E328 VanDerWaalsContact OH-CA 3.26Å; Y181-E328 WeakPolarHBondContact OH-CA 3.34Å; Y181-E328 PolarHBondContact OH-N 3.16Å; Y181-E328 PolarHBondContact OH-OE2 2.94Å; Y181-E328 VanDerWaalsContact OH-OE2 3.12Å; Y181-V331 HydrophobicContact CE1-CG2 4.3Å; Y181-Y332 VanDerWaalsContact OH-CE2 3.31Å; Y181-Y332 WeakPolarHBondContact OH-CE2 3.45Å
182V98.8Very high98.1Very high2 Ų29.5 Ų9.51%0.0125%0.051CC..EExtended strand (participates in β ladder)trans-127.9128.6-175.3-1680000111.4W119 L174 A176 T180 L184 V314W119-V182 WeakPolarHBondContact CB-O 3.43Å; W119-V182 HydrophobicContact CD2-CB 4.08Å; W119-V182 HydrophobicContact CD2-CG2 4.28Å; W119-V182 HydrophobicContact CE3-CB 3.91Å; W119-V182 HydrophobicContact CE3-CG2 4.21Å; W119-V182 HydrophobicContact CH2-CG2 4.08Å; W119-V182 HydrophobicContact CZ2-CG2 4.13Å; W119-V182 HydrophobicContact CZ3-CB 4.2Å; W119-V182 HydrophobicContact CZ3-CG2 4.12Å; L174-V182 HydrophobicContact CD2-CG1 3.99Å; L174-V182 HydrophobicContact CD2-CG2 4.35Å; A176-V182 HydrophobicContact CB-CG2 4.35Å; T180-V182 HydrophobicContact CG2-CG2 3.95Å; V182-L184 HydrophobicContact CB-CD2 3.81Å; V182-L184 HydrophobicContact CG1-CD2 3.75Å; V182-L184 WeakPolarHBondContact O-CD2 3.39Å; V182-L184 PolarHBondContact O-N 3.49Å; V182-V314 CarbonylContact C-O 3.54Å; V182-V314 VanDerWaalsContact CA-O 3.3Å; V182-V314 WeakPolarHBondContact CA-O 3.38Å; V182-V314 HydrophobicContact CG1-CG1 4.09Å; V182-V314 WeakPolarHBondContact CG1-O 2.98Å
183I98.7Very high97.8Very high13 Ų1313.1 Ų13.17%0.0677%0.067CC..  trans-9289.3174.8-54172000107.9Y181 D185 N186 L187 A313 V314 V331Y181-I183 HydrophobicContact CD1-CG1 4.27Å; Y181-I183 HydrophobicContact CE1-CG1 3.8Å; I183-D185 VanDerWaalsContact C-N 3.26Å; I183-D185 PolarHBondContact O-N 3.19Å; I183-N186 HydrophobicContact CB-CB 4.29Å; I183-N186 HydrophobicContact CG2-CB 4.02Å; I183-N186 WeakPolarHBondContact CG2-ND2 3.3Å; I183-N186 PolarHBondContact O-N 3.1Å; I183-L187 PolarHBondContact O-N 2.65Å; I183-L187 VanDerWaalsContact O-N 3.12Å; I183-A313 WeakPolarHBondContact CD1-O 3.44Å; I183-V314 PolarHBondContact N-O 2.96Å; I183-V331 HydrophobicContact CD1-CG1 4.07Å; I183-V331 HydrophobicContact CD1-CG2 3.86Å; I183-V331 HydrophobicContact CG1-CG1 4.15Å; I183-V331 HydrophobicContact CG1-CG2 4.39Å; I183-V331 HydrophobicContact CG2-CG1 4.05Å
184L98.4Very high97.7Very high0 Ų017.1 Ų17.10%08%0.082CC..Hα-helixtrans-60.4-32-171.4-90.9-64.5000113.4I97 W119 R122 L174 V182 L187 R188I97-L184 HydrophobicContact CB-CD1 4.43Å; I97-L184 HydrophobicContact CD1-CD1 3.94Å; I97-L184 HydrophobicContact CG2-CD1 4.15Å; W119-L184 HydrophobicContact CE3-CD2 3.6Å; W119-L184 HydrophobicContact CZ3-CD2 4.15Å; R122-L184 HydrophobicContact CB-CB 3.92Å; R122-L184 HydrophobicContact CB-CG 4.26Å; L174-L184 HydrophobicContact CD2-CD1 4.45Å; V182-L184 HydrophobicContact CB-CD2 3.81Å; V182-L184 HydrophobicContact CG1-CD2 3.75Å; V182-L184 WeakPolarHBondContact O-CD2 3.39Å; V182-L184 PolarHBondContact O-N 3.49Å; L184-L187 HydrophobicContact CD1-CD2 4.21Å; L184-L187 WeakPolarHBondContact O-CB 3.42Å; L184-L187 PolarHBondContact O-N 3.26Å; L184-R188 WeakPolarHBondContact O-CG 3.3Å; L184-R188 PolarHBondContact O-N 2.94Å
185D96.6Very high97.7Very high40 Ų4021.3 Ų21.321%0.21411%0.105CC..Hα-helixtrans-68.6-38.4179.8-58.2-38.6000111.7I183 L187 R188 W189 Y332I183-D185 VanDerWaalsContact C-N 3.26Å; I183-D185 PolarHBondContact O-N 3.19Å; D185-L187 VanDerWaalsContact C-N 3.34Å; D185-R188 PolarHBondContact O-N 3.23Å; D185-R188 IonicContact OD1-NH1 3.81Å; D185-W189 PolarHBondContact O-N 3.02Å; D185-Y332 WeakPolarHBondContact OD2-CE1 3.47Å
186N97.6Very high97.7Very high28 Ų2822.3 Ų22.315%0.1511%0.112CC..Hα-helixtrans-66.5-38.6172.7-68.3-9.4000111.2I183 W189 L190 L312 A313 V314I183-N186 HydrophobicContact CB-CB 4.29Å; I183-N186 HydrophobicContact CG2-CB 4.02Å; I183-N186 WeakPolarHBondContact CG2-ND2 3.3Å; I183-N186 PolarHBondContact O-N 3.1Å; N186-W189 PolarHBondContact O-N 2.9Å; N186-L190 PolarHBondContact O-N 3.27Å; N186-L312 HydrophobicContact CB-CB 4.35Å; N186-L312 WeakPolarHBondContact ND2-CA 3.31Å; N186-A313 PolarHBondContact ND2-O 3.08Å; N186-V314 HydrophobicContact CB-CG2 4.26Å
187L98.7Very high97.6Very high0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-62.8-44.2174.6-17954.7000111.4I97 L174 I183 L184 D185 W189 L190 L191 V222 F274 V314I97-L187 HydrophobicContact CD1-CB 4.46Å; I97-L187 HydrophobicContact CD1-CD2 3.95Å; I97-L187 HydrophobicContact CD1-CG 3.92Å; L174-L187 HydrophobicContact CD1-CD2 4.15Å; L174-L187 HydrophobicContact CD2-CD2 3.96Å; L174-L187 HydrophobicContact CG-CD2 4.48Å; I183-L187 PolarHBondContact O-N 2.65Å; I183-L187 VanDerWaalsContact O-N 3.12Å; L184-L187 HydrophobicContact CD1-CD2 4.21Å; L184-L187 WeakPolarHBondContact O-CB 3.42Å; L184-L187 PolarHBondContact O-N 3.26Å; D185-L187 VanDerWaalsContact C-N 3.34Å; L187-W189 VanDerWaalsContact C-N 3.34Å; L187-W189 PolarHBondContact O-N 3.25Å; L187-L190 WeakPolarHBondContact O-CB 3.45Å; L187-L190 PolarHBondContact O-N 2.82Å; L187-L190 VanDerWaalsContact O-N 3.16Å; L187-L191 HydrophobicContact CD1-CD1 3.71Å; L187-L191 HydrophobicContact CD1-CD2 4.41Å; L187-L191 HydrophobicContact CD1-CG 3.83Å; L187-L191 HydrophobicContact CD2-CD1 4.36Å; L187-L191 HydrophobicContact CG-CD1 3.7Å; L187-L191 HydrophobicContact CG-CG 4.24Å; L187-L191 WeakPolarHBondContact O-CB 3.39Å; L187-L191 VanDerWaalsContact O-CG 3.27Å; L187-L191 WeakPolarHBondContact O-CG 3.3Å; L187-L191 PolarHBondContact O-N 3.24Å; L187-V222 HydrophobicContact CD1-CG1 4.14Å; L187-F274 HydrophobicContact CD1-CZ 3.91Å; L187-V314 HydrophobicContact CB-CG1 3.97Å; L187-V314 HydrophobicContact CB-CG2 4.33Å; L187-V314 HydrophobicContact CD1-CG1 4.07Å; L187-V314 HydrophobicContact CG-CG1 4.41Å
188R98.1Very high97.7Very high0 Ų030.8 Ų30.80%015%0.15CC..Hα-helixtrans-62.2-41.5176.9-72.5-179.2177.2101.16.3112.4L91 V95 I97 R122 N124 L184 D185 L190 L191 S192L91-R188 HydrophobicContact CB-CB 4.05Å; V95-R188 HydrophobicContact CB-CB 4.23Å; V95-R188 HydrophobicContact CB-CG 4.07Å; V95-R188 HydrophobicContact CG1-CB 4.36Å; V95-R188 HydrophobicContact CG1-CG 4.14Å; V95-R188 PolarHBondContact O-NE 3.01Å; I97-R188 HydrophobicContact CD1-CG 3.55Å; I97-R188 HydrophobicContact CG1-CG 4.42Å; R122-R188 PolarHBondContact O-NH1 3.43Å; R122-R188 PolarHBondContact O-NH2 2.63Å; N124-R188 PolarHBondContact OD1-NH2 3.24Å; L184-R188 WeakPolarHBondContact O-CG 3.3Å; L184-R188 PolarHBondContact O-N 2.94Å; D185-R188 PolarHBondContact O-N 3.23Å; D185-R188 IonicContact OD1-NH1 3.81Å; R188-L190 VanDerWaalsContact C-N 3.3Å; R188-L190 PolarHBondContact O-N 2.8Å; R188-L191 PolarHBondContact O-N 3.22Å; R188-S192 VanDerWaalsContact O-CB 3.27Å; R188-S192 WeakPolarHBondContact O-CB 3.2Å; R188-S192 PolarHBondContact O-N 3.27Å
189W95.9Very high97.7Very high13 Ų1331.3 Ų31.35%0.04915%0.154CC..Hα-helixtrans-57.7-45.6173.4170.382.3000111.6L91 D185 N186 L187 S192 K193 D267 T268 L312 P345L91-W189 HydrophobicContact CD1-CB 4.42Å; D185-W189 PolarHBondContact O-N 3.02Å; N186-W189 PolarHBondContact O-N 2.9Å; L187-W189 VanDerWaalsContact C-N 3.34Å; L187-W189 PolarHBondContact O-N 3.25Å; W189-S192 PolarHBondContact O-OG 2.84Å; W189-K193 VanDerWaalsContact CZ2-CE 3.45Å; W189-D267 HydrophobicContact CH2-CB 4.39Å; W189-T268 HydrophobicContact CH2-CG2 4.11Å; W189-T268 HydrophobicContact CZ2-CG2 4.07Å; W189-L312 HydrophobicContact CD2-CD1 3.72Å; W189-L312 HydrophobicContact CE3-CB 4.44Å; W189-L312 HydrophobicContact CE3-CD1 3.55Å; W189-L312 HydrophobicContact CG-CD1 4.48Å; W189-L312 HydrophobicContact CH2-CD1 3.66Å; W189-L312 HydrophobicContact CZ2-CD1 3.92Å; W189-L312 HydrophobicContact CZ3-CB 4.39Å; W189-L312 HydrophobicContact CZ3-CD1 3.51Å; W189-P345 HydrophobicContact CD2-CG 4.25Å; W189-P345 VanDerWaalsContact CE2-CG 3.49Å; W189-P345 HydrophobicContact CG-CG 4.46Å; W189-P345 HydrophobicContact CH2-CB 4.14Å; W189-P345 HydrophobicContact CZ2-CB 3.17Å; W189-P345 HydrophobicContact CZ2-CG 3.78Å; W189-P345 VanDerWaalsContact NE1-CG 3.27Å
190L97.3Very high97.8Very high4 Ų430.6 Ų30.62%0.02115%0.15CC..Hα-helixtrans-59.8-49.9177.8-177.5158.3000111.2N186 L187 R188 Y194 F202 S265 F274 V314N186-L190 PolarHBondContact O-N 3.27Å; L187-L190 WeakPolarHBondContact O-CB 3.45Å; L187-L190 PolarHBondContact O-N 2.82Å; L187-L190 VanDerWaalsContact O-N 3.16Å; R188-L190 VanDerWaalsContact C-N 3.3Å; R188-L190 PolarHBondContact O-N 2.8Å; L190-Y194 HydrophobicContact CD2-CE2 4.45Å; L190-Y194 WeakPolarHBondContact O-CD2 3.21Å; L190-Y194 WeakPolarHBondContact O-CE2 3.35Å; L190-F202 HydrophobicContact CD2-CB 4.42Å; L190-F202 HydrophobicContact CD2-CD1 4.19Å; L190-F202 HydrophobicContact CD2-CD2 4.34Å; L190-F202 HydrophobicContact CD2-CG 4.07Å; L190-S265 WeakPolarHBondContact CD1-O 3.45Å; L190-F274 HydrophobicContact CD1-CE2 4.06Å; L190-V314 HydrophobicContact CD1-CG2 4.31Å
191L98.2Very high97.8Very high0 Ų030.6 Ų30.60%015%0.15CC..Hα-helixtrans-72.6-26.9-175.2-66.3176.2000113.7V95 I97 W172 L187 R188 K193 Y194 F202 V222V95-L191 HydrophobicContact CG1-CB 3.81Å; V95-L191 HydrophobicContact CG1-CD1 4.33Å; I97-L191 HydrophobicContact CD1-CD1 3.9Å; I97-L191 HydrophobicContact CG1-CD1 4.26Å; W172-L191 HydrophobicContact CB-CD1 3.92Å; W172-L191 HydrophobicContact CD2-CB 4.24Å; W172-L191 HydrophobicContact CD2-CD1 3.82Å; W172-L191 HydrophobicContact CD2-CD2 3.75Å; W172-L191 HydrophobicContact CD2-CG 4.14Å; W172-L191 HydrophobicContact CE3-CD1 4.26Å; W172-L191 HydrophobicContact CE3-CD2 3.55Å; W172-L191 HydrophobicContact CE3-CG 4.41Å; W172-L191 HydrophobicContact CG-CD1 3.65Å; W172-L191 HydrophobicContact CG-CD2 4.48Å; W172-L191 HydrophobicContact CG-CG 4.43Å; W172-L191 HydrophobicContact CH2-CD2 3.93Å; W172-L191 HydrophobicContact CZ2-CB 4.21Å; W172-L191 HydrophobicContact CZ2-CD2 4.09Å; W172-L191 HydrophobicContact CZ3-CD2 3.65Å; L187-L191 HydrophobicContact CD1-CD1 3.71Å; L187-L191 HydrophobicContact CD1-CD2 4.41Å; L187-L191 HydrophobicContact CD1-CG 3.83Å; L187-L191 HydrophobicContact CD2-CD1 4.36Å; L187-L191 HydrophobicContact CG-CD1 3.7Å; L187-L191 HydrophobicContact CG-CG 4.24Å; L187-L191 WeakPolarHBondContact O-CB 3.39Å; L187-L191 VanDerWaalsContact O-CG 3.27Å; L187-L191 WeakPolarHBondContact O-CG 3.3Å; L187-L191 PolarHBondContact O-N 3.24Å; R188-L191 PolarHBondContact O-N 3.22Å; L191-K193 PolarHBondContact O-N 3.44Å; L191-Y194 PolarHBondContact O-N 3.05Å; L191-F202 HydrophobicContact CD2-CD2 3.69Å; L191-F202 HydrophobicContact CD2-CE2 3.96Å; L191-V222 HydrophobicContact CD1-CG2 4.06Å; L191-V222 HydrophobicContact CD2-CG1 3.95Å
192S96.4Very high97.8Very high21 Ų2130.6 Ų30.615%0.14715%0.15CC..THydrogen-bonded Turntrans-58-15.5179.970.50000114.6R188 W189 P348R188-S192 VanDerWaalsContact O-CB 3.27Å; R188-S192 WeakPolarHBondContact O-CB 3.2Å; R188-S192 PolarHBondContact O-N 3.27Å; W189-S192 PolarHBondContact O-OG 2.84Å; S192-P348 WeakPolarHBondContact O-CG 3.48Å
193K94.4Very high97.8Very high80 Ų8030.5 Ų30.535%0.34815%0.15SC..THydrogen-bonded Turntrans-88.8-5.3-179.2-55.7167-164.9159.80113.1W189 L191 P348W189-K193 VanDerWaalsContact CZ2-CE 3.45Å; L191-K193 PolarHBondContact O-N 3.44Å; K193-P348 HydrophobicContact CG-CG 4.5Å
194Y96.4Very high97.8Very high84 Ų8430 Ų3033%0.32915%0.147SC..SBendtrans-125.5149.2-171.2-59.9-84.3000110.7L190 L191 I200 F202 D264L190-Y194 HydrophobicContact CD2-CE2 4.45Å; L190-Y194 WeakPolarHBondContact O-CD2 3.21Å; L190-Y194 WeakPolarHBondContact O-CE2 3.35Å; L191-Y194 PolarHBondContact O-N 3.05Å; Y194-I200 HydrophobicContact CD1-CD1 4.14Å; Y194-I200 HydrophobicContact CE1-CD1 4.19Å; Y194-F202 HydrophobicContact CD1-CE1 4.44Å; Y194-F202 AromaticContact CD1-CZ 3.66Å; Y194-F202 HydrophobicContact CD1-CZ 3.66Å; Y194-F202 HydrophobicContact CD2-CE1 4.21Å; Y194-F202 HydrophobicContact CD2-CE2 4.06Å; Y194-F202 AromaticContact CD2-CZ 3.5Å; Y194-F202 HydrophobicContact CD2-CZ 3.5Å; Y194-F202 AromaticContact CE1-CE1 4Å; Y194-F202 HydrophobicContact CE1-CE1 4Å; Y194-F202 AromaticContact CE1-CZ 3.68Å; Y194-F202 HydrophobicContact CE1-CZ 3.68Å; Y194-F202 AromaticContact CE2-CE1 3.75Å; Y194-F202 HydrophobicContact CE2-CE1 3.75Å; Y194-F202 HydrophobicContact CE2-CE2 4.41Å; Y194-F202 AromaticContact CE2-CZ 3.53Å; Y194-F202 HydrophobicContact CE2-CZ 3.53Å; Y194-F202 HydrophobicContact CG-CE2 4.14Å; Y194-F202 AromaticContact CG-CZ 3.57Å; Y194-F202 HydrophobicContact CG-CZ 3.57Å; Y194-F202 AromaticContact CZ-CE1 3.63Å; Y194-F202 AromaticContact CZ-CZ 3.61Å; Y194-D264 PolarHBondContact OH-O 3.46Å
195D97.7Very high97.8Very high90 Ų9031.1 Ų31.148%0.48115%0.151SC..  trans-83.4123.5172.6-171.4-21.9000109.3E197 E198D195-E197 PolarHBondContact O-N 3.3Å; D195-E197 WeakPolarHBondContact OD1-CB 3.3Å; D195-E197 PolarHBondContact OD1-N 3.22Å; D195-E198 HydrophobicContact CB-CG 4Å; D195-E198 WeakPolarHBondContact O-CB 3.36Å; D195-E198 PolarHBondContact O-N 2.73Å; D195-E198 VanDerWaalsContact O-N 3.11Å
196P98.4Very high97.8Very high25 Ų2529.4 Ų29.416%0.16214%0.142CC..THydrogen-bonded Turntrans-66.3-12.3176.929.6-38000114.3D171 W172 E198 S224 K225 E226D171-P196 HydrophobicContact CB-CB 3.84Å; D171-P196 HydrophobicContact CB-CG 3.97Å; D171-P196 VanDerWaalsContact O-CB 3.31Å; D171-P196 WeakPolarHBondContact O-CB 3.11Å; W172-P196 HydrophobicContact CZ2-CB 4.18Å; P196-E198 VanDerWaalsContact C-N 3.35Å; P196-S224 WeakPolarHBondContact O-CB 3.4Å; P196-K225 HydrophobicContact CB-CB 4.49Å; P196-K225 PolarHBondContact O-N 3.34Å; P196-K225 VanDerWaalsContact O-N 3.11Å; P196-E226 PolarHBondContact O-N 3.03Å; P196-E226 VanDerWaalsContact O-N 3.16Å
197E98.6Very high97.8Very high89 Ų8934.4 Ų34.442%0.41616%0.162SC..THydrogen-bonded Turntrans-85.5-8.2173.2-61.8-61.8140.300112.8D195 E226D195-E197 PolarHBondContact O-N 3.3Å; D195-E197 WeakPolarHBondContact OD1-CB 3.3Å; D195-E197 PolarHBondContact OD1-N 3.22Å; E197-E226 WeakPolarHBondContact O-CB 3.45Å; E197-E226 WeakPolarHBondContact O-CG 3.41Å
198E98.6Very high97.7Very high119 Ų11935.8 Ų35.856%0.55617%0.171SC*.SBendtrans-80.7139.8170.7-71.4-68.7156.600110.5D195 P196 I200 S224D195-E198 HydrophobicContact CB-CG 4Å; D195-E198 WeakPolarHBondContact O-CB 3.36Å; D195-E198 PolarHBondContact O-N 2.73Å; D195-E198 VanDerWaalsContact O-N 3.11Å; P196-E198 VanDerWaalsContact C-N 3.35Å; E198-I200 VanDerWaalsContact C-N 3.28Å; E198-I200 PolarHBondContact O-N 2.94Å; E198-S224 VanDerWaalsContact O-CB 3.27Å; E198-S224 WeakPolarHBondContact O-CB 3.37Å; E198-S224 PolarHBondContact O-OG 2.86Å
199P98.7Very high97.6Very high21 Ų2142.7 Ų42.714%0.13620%0.198CC..SBendtrans-77.176-176.734.3-37.6000111.2E226 R230 V260 E261P199-E226 HydrophobicContact CB-CG 4.08Å; P199-R230 VanDerWaalsContact CB-CZ 3.46Å; P199-V260 HydrophobicContact CB-CG2 4.07Å; P199-V260 CarbonylContact O-C 3.49Å; P199-V260 VanDerWaalsContact O-CA 3.27Å; P199-V260 WeakPolarHBondContact O-CA 3.36Å; P199-E261 PolarHBondContact O-N 2.61Å
200I98.9Very high97.6Very high13 Ų1342.3 Ų42.37%0.06720%0.198CC..EExtended strand (participates in β ladder)trans-129.8151.8-176.4-166.4161.2000112.1W172 Y194 E198 F202 S224 E261W172-I200 HydrophobicContact CH2-CG2 4.07Å; W172-I200 HydrophobicContact CZ3-CG2 4.18Å; Y194-I200 HydrophobicContact CD1-CD1 4.14Å; Y194-I200 HydrophobicContact CE1-CD1 4.19Å; E198-I200 VanDerWaalsContact C-N 3.28Å; E198-I200 PolarHBondContact O-N 2.94Å; I200-F202 HydrophobicContact CB-CE2 4.48Å; I200-F202 HydrophobicContact CD1-CE1 3.84Å; I200-F202 HydrophobicContact CD1-CE2 4.16Å; I200-F202 HydrophobicContact CD1-CZ 3.39Å; I200-F202 HydrophobicContact CG1-CE1 4.14Å; I200-F202 HydrophobicContact CG1-CE2 3.92Å; I200-F202 HydrophobicContact CG1-CZ 3.63Å; I200-F202 HydrophobicContact CG2-CE2 3.82Å; I200-F202 HydrophobicContact CG2-CZ 4.11Å; I200-S224 PolarHBondContact N-OG 3.45Å; I200-S224 VanDerWaalsContact O-CB 3.25Å; I200-S224 WeakPolarHBondContact O-CB 3.47Å; I200-S224 PolarHBondContact O-N 3.05Å; I200-S224 PolarHBondContact O-OG 3.31Å; I200-E261 WeakPolarHBondContact CA-O 3.44Å; I200-E261 HydrophobicContact CG1-CB 4.39Å; I200-E261 WeakPolarHBondContact CG1-O 3.42Å
201Y98.9Very high97.6Very high0 Ų051.4 Ų51.40%024%0.237CC..EExtended strand (participates in β ladder)trans-142.5151.2171.877.3-58.5000111.5M215 V222 M255 V260 E261 A262 G263Y201-M215 HydrophobicContact CD2-CE 4.48Å; Y201-M215 HydrophobicContact CD2-CG 3.68Å; Y201-M215 HydrophobicContact CE2-CB 4.2Å; Y201-M215 HydrophobicContact CE2-CE 4.32Å; Y201-M215 HydrophobicContact CE2-CG 3.41Å; Y201-M215 VanDerWaalsContact CE2-CG 3.41Å; Y201-M215 WeakPolarHBondContact O-CE 3.43Å; Y201-V222 CarbonylContact C-O 3.37Å; Y201-V222 WeakPolarHBondContact CA-O 3.39Å; Y201-V222 VanDerWaalsContact CB-O 3.28Å; Y201-V222 WeakPolarHBondContact CB-O 3.2Å; Y201-M255 HydrophobicContact CD1-CB 4.37Å; Y201-M255 HydrophobicContact CD1-CG 4.25Å; Y201-M255 HydrophobicContact CD2-CG 4.3Å; Y201-M255 HydrophobicContact CE1-CB 3.72Å; Y201-M255 HydrophobicContact CE1-CG 3.93Å; Y201-M255 HydrophobicContact CE2-CB 4.46Å; Y201-M255 HydrophobicContact CE2-CG 3.96Å; Y201-M255 HydrophobicContact CG-CG 4.44Å; Y201-V260 HydrophobicContact CD1-CG1 3.6Å; Y201-V260 HydrophobicContact CE1-CG1 4.23Å; Y201-V260 HydrophobicContact CG-CG1 4.3Å; Y201-E261 WeakPolarHBondContact CD1-O 3.39Å; Y201-E261 PolarHBondContact N-O 3.34Å; Y201-A262 HydrophobicContact CD1-CB 4.34Å; Y201-A262 HydrophobicContact CE1-CB 3.54Å; Y201-G263 PolarHBondContact O-N 2.87Å
202F98.9Very high97.6Very high0 Ų053.1 Ų53.10%025%0.245CC..EExtended strand (participates in β ladder)trans-128.4154.9-173-57.1-85.3000111.8W172 L190 L191 Y194 I200 Y221 V222W172-F202 AromaticContact CH2-CE2 3.86Å; W172-F202 HydrophobicContact CH2-CE2 3.86Å; W172-F202 HydrophobicContact CZ3-CD2 4.08Å; W172-F202 AromaticContact CZ3-CE2 3.74Å; W172-F202 HydrophobicContact CZ3-CE2 3.74Å; L190-F202 HydrophobicContact CD2-CB 4.42Å; L190-F202 HydrophobicContact CD2-CD1 4.19Å; L190-F202 HydrophobicContact CD2-CD2 4.34Å; L190-F202 HydrophobicContact CD2-CG 4.07Å; L191-F202 HydrophobicContact CD2-CD2 3.69Å; L191-F202 HydrophobicContact CD2-CE2 3.96Å; Y194-F202 HydrophobicContact CD1-CE1 4.44Å; Y194-F202 AromaticContact CD1-CZ 3.66Å; Y194-F202 HydrophobicContact CD1-CZ 3.66Å; Y194-F202 HydrophobicContact CD2-CE1 4.21Å; Y194-F202 HydrophobicContact CD2-CE2 4.06Å; Y194-F202 AromaticContact CD2-CZ 3.5Å; Y194-F202 HydrophobicContact CD2-CZ 3.5Å; Y194-F202 AromaticContact CE1-CE1 4Å; Y194-F202 HydrophobicContact CE1-CE1 4Å; Y194-F202 AromaticContact CE1-CZ 3.68Å; Y194-F202 HydrophobicContact CE1-CZ 3.68Å; Y194-F202 AromaticContact CE2-CE1 3.75Å; Y194-F202 HydrophobicContact CE2-CE1 3.75Å; Y194-F202 HydrophobicContact CE2-CE2 4.41Å; Y194-F202 AromaticContact CE2-CZ 3.53Å; Y194-F202 HydrophobicContact CE2-CZ 3.53Å; Y194-F202 HydrophobicContact CG-CE2 4.14Å; Y194-F202 AromaticContact CG-CZ 3.57Å; Y194-F202 HydrophobicContact CG-CZ 3.57Å; Y194-F202 AromaticContact CZ-CE1 3.63Å; Y194-F202 AromaticContact CZ-CZ 3.61Å; I200-F202 HydrophobicContact CB-CE2 4.48Å; I200-F202 HydrophobicContact CD1-CE1 3.84Å; I200-F202 HydrophobicContact CD1-CE2 4.16Å; I200-F202 HydrophobicContact CD1-CZ 3.39Å; I200-F202 HydrophobicContact CG1-CE1 4.14Å; I200-F202 HydrophobicContact CG1-CE2 3.92Å; I200-F202 HydrophobicContact CG1-CZ 3.63Å; I200-F202 HydrophobicContact CG2-CE2 3.82Å; I200-F202 HydrophobicContact CG2-CZ 4.11Å; F202-Y221 CarbonylContact O-C 3.57Å; F202-Y221 WeakPolarHBondContact O-CA 3.17Å; F202-Y221 WeakPolarHBondContact O-CB 3.44Å; F202-V222 HydrophobicContact CB-CG1 3.74Å; F202-V222 HydrophobicContact CD2-CG1 4.19Å; F202-V222 HydrophobicContact CG-CG1 4.47Å; F202-V222 PolarHBondContact N-O 2.95Å; F202-V222 PolarHBondContact O-N 3.33Å
203G98.6Very high97.7Very high0 Ų052.1 Ų52.10%024%0.238CC..EExtended strand (participates in β ladder)trans162.6-167.6177.200000111.4R205 M215 S265G203-R205 PolarHBondContact O-N 3.03Å; G203-R205 VanDerWaalsContact O-N 3.15Å; G203-M215 VanDerWaalsContact C-SD 3.58Å; G203-M215 VanDerWaalsContact O-SD 3.4Å; G203-S265 PolarHBondContact O-OG 3.3Å
204R98.1Very high97.9Very high2 Ų248.7 Ų48.71%0.00822%0.223CC..  trans-74.7105.5176175.854164.6-12011.2110.9F206 M215 S216 A219 E272 F274 P276 Y294 N298R204-F206 HydrophobicContact CG-CD1 4.48Å; R204-F206 HydrophobicContact CG-CE1 3.96Å; R204-F206 HydrophobicContact CG-CZ 4.34Å; R204-F206 PolarHBondContact O-N 3.04Å; R204-M215 CarbonylContact O-C 3.42Å; R204-M215 WeakPolarHBondContact O-CA 3.19Å; R204-S216 PolarHBondContact O-N 2.87Å; R204-A219 HydrophobicContact CB-CB 3.72Å; R204-E272 IonicContact CZ-OE2 3.02Å; R204-E272 IonicContact NE-OE2 3.84Å; R204-E272 VanDerWaalsContact NH1-CG 3.35Å; R204-E272 IonicContact NH1-OE2 2.76Å; R204-F274 HydrophobicContact CB-CB 3.77Å; R204-F274 WeakPolarHBondContact CD-O 3.1Å; R204-F274 PolarHBondContact NH1-O 3.49Å; R204-P276 HydrophobicContact CG-CG 4.24Å; R204-Y294 PolarHBondContact NH2-OH 2.92Å; R204-N298 PolarHBondContact NE-OD1 3.4Å; R204-N298 PolarHBondContact NH2-OD1 3.48Å
205R98.3Very high98Very high24 Ų2444.8 Ų44.89%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-76.5119.6-174.8-158.3178.9-161.4151.76.3113.3G203 Q212 Y214 M215 A262 Y299 Y300G203-R205 PolarHBondContact O-N 3.03Å; G203-R205 VanDerWaalsContact O-N 3.15Å; R205-Q212 VanDerWaalsContact CZ-O 3.26Å; R205-Q212 PolarHBondContact NE-O 3.43Å; R205-Q212 PolarHBondContact NH2-O 3.16Å; R205-Y214 CarbonylContact C-O 3.55Å; R205-Y214 WeakPolarHBondContact CA-O 3.38Å; R205-M215 HydrophobicContact CB-SD 3.93Å; R205-M215 HydrophobicContact CG-CE 4.49Å; R205-M215 HydrophobicContact CG-SD 4.16Å; R205-A262 VanDerWaalsContact CZ-CB 3.49Å; R205-A262 PolarHBondContact NH1-O 3.4Å; R205-A262 PolarHBondContact NH2-O 2.91Å; R205-Y299 HydrophobicContact CB-CG 4.48Å; R205-Y299 HydrophobicContact CG-CD2 4.15Å; R205-Y299 HydrophobicContact CG-CG 3.93Å; R205-Y299 VanDerWaalsContact O-CB 3.28Å; R205-Y299 WeakPolarHBondContact O-CB 3.29Å; R205-Y299 PolarHBondContact O-N 3.12Å; R205-Y299 VanDerWaalsContact O-N 3.1Å; R205-Y300 HydrophobicContact CB-CE2 4.3Å
206F98.2Very high98Very high5 Ų540.9 Ų40.92%0.02219%0.188CC..EExtended strand (participates in β ladder)trans-100.5147.5166.7-66.3-29.5000111.6R204 G213 Y214 S216 P276 W293 Y297R204-F206 HydrophobicContact CG-CD1 4.48Å; R204-F206 HydrophobicContact CG-CE1 3.96Å; R204-F206 HydrophobicContact CG-CZ 4.34Å; R204-F206 PolarHBondContact O-N 3.04Å; F206-G213 CarbonylContact O-C 3.48Å; F206-G213 WeakPolarHBondContact O-CA 3.4Å; F206-Y214 HydrophobicContact CB-CD1 4.16Å; F206-Y214 HydrophobicContact CB-CE1 3.67Å; F206-Y214 HydrophobicContact CB-CE2 4.15Å; F206-Y214 AromaticContact CD2-CE2 3.95Å; F206-Y214 HydrophobicContact CD2-CE2 3.95Å; F206-Y214 PolarHBondContact N-O 2.85Å; F206-Y214 PolarHBondContact O-N 3.18Å; F206-S216 VanDerWaalsContact CE2-CB 3.5Å; F206-P276 HydrophobicContact CZ-CB 4.1Å; F206-P276 HydrophobicContact CZ-CG 4.18Å; F206-W293 HydrophobicContact CE1-CZ3 4.3Å; F206-W293 HydrophobicContact CE2-CH2 4.09Å; F206-W293 HydrophobicContact CE2-CZ3 4.06Å; F206-W293 AromaticContact CZ-CH2 3.79Å; F206-W293 HydrophobicContact CZ-CH2 3.79Å; F206-W293 AromaticContact CZ-CZ3 3.82Å; F206-W293 HydrophobicContact CZ-CZ3 3.82Å; F206-Y297 CarbonylContact C-O 3.53Å; F206-Y297 WeakPolarHBondContact CA-O 3.26Å; F206-Y297 WeakPolarHBondContact CB-O 3.35Å; F206-Y297 HydrophobicContact CD2-CD1 4.3Å; F206-Y297 HydrophobicContact CG-CD1 4.38Å
207K96.9Very high97.9Very high132 Ų13239.9 Ų39.957%0.57418%0.181SC*.  trans-92.2-38.4-174.2-175.7176.5178.7178.70115.8Y297 Y299K207-Y297 PolarHBondContact N-O 3.37Å; K207-Y299 HydrophobicContact CB-CD2 4Å; K207-Y299 HydrophobicContact CG-CD2 4.2Å
208P95.4Very high97.8Very high29 Ų2936.1 Ų36.119%0.18817%0.166CC..THydrogen-bonded Turntrans-60.1155-171.8-28.438.2000113.3V210 Y214 Y297P208-V210 PolarHBondContact O-N 3.45Å; P208-Y214 WeakPolarHBondContact O-CD1 3.45Å; P208-Y214 WeakPolarHBondContact O-CE1 3.3Å; P208-Y297 WeakPolarHBondContact CD-O 3.5Å; P208-Y297 HydrophobicContact CG-CD1 4.08Å; P208-Y297 HydrophobicContact CG-CD2 3.94Å; P208-Y297 HydrophobicContact CG-CE1 4.36Å; P208-Y297 HydrophobicContact CG-CE2 4.23Å; P208-Y297 HydrophobicContact CG-CG 3.86Å
209Y95.8Very high97.8Very high145 Ų14530.4 Ų30.457%0.56914%0.14SC*.THydrogen-bonded Turntrans67-18.5165.5-42.3-63.9000119.4Y214 L249 Y297Y209-Y214 HydrophobicContact CD2-CE1 4.46Å; Y209-L249 HydrophobicContact CD2-CD1 4.3Å; Y209-L249 HydrophobicContact CD2-CD2 4.16Å; Y209-L249 HydrophobicContact CG-CD1 4.31Å; Y209-L249 HydrophobicContact CG-CD2 4.32Å; Y209-Y297 HydrophobicContact CE2-CE1 4.24Å; Y209-Y297 PolarHBondContact OH-OH 2.81Å
210V96.9Very high97.8Very high6 Ų629.4 Ų29.44%0.03613%0.134CC..SBendtrans-128.9132.9176.6-173.30000108.3P208 Q212 G213 Y214 L249 R253 E256P208-V210 PolarHBondContact O-N 3.45Å; V210-Q212 HydrophobicContact CG1-CG 4.13Å; V210-Q212 PolarHBondContact O-N 3.39Å; V210-G213 VanDerWaalsContact CG1-O 3.27Å; V210-G213 WeakPolarHBondContact CG1-O 3.26Å; V210-G213 WeakPolarHBondContact O-CA 3.31Å; V210-G213 PolarHBondContact O-N 3.37Å; V210-Y214 HydrophobicContact CB-CD1 4.44Å; V210-Y214 HydrophobicContact CG2-CD1 4.12Å; V210-Y214 HydrophobicContact CG2-CG 4.49Å; V210-L249 HydrophobicContact CG2-CD1 3.56Å; V210-R253 HydrophobicContact CG2-CG 3.66Å; V210-E256 HydrophobicContact CG1-CB 4.03Å; V210-E256 HydrophobicContact CG1-CG 4.43Å
211K97.5Very high97.8Very high194 Ų19428.8 Ų28.884%0.84313%0.13SC*.THydrogen-bonded Turntrans-65.9-41.5-170177.2-171.2176.2-171.20111.6G213 E256K211-G213 PolarHBondContact O-N 3.12Å; K211-E256 WeakPolarHBondContact CA-OE1 3.44Å; K211-E256 VanDerWaalsContact CB-OE1 3.26Å; K211-E256 WeakPolarHBondContact CB-OE1 3.4Å; K211-E256 PolarHBondContact N-OE1 3.44Å; K211-E256 VanDerWaalsContact N-OE1 3.08Å
212Q97.8Very high97.8Very high37 Ų3728.8 Ų28.817%0.17313%0.13CC..THydrogen-bonded Turntrans-79.5-0.6172.571.6169.2-21.200114.1R205 V210 E256 V260 A262R205-Q212 VanDerWaalsContact CZ-O 3.26Å; R205-Q212 PolarHBondContact NE-O 3.43Å; R205-Q212 PolarHBondContact NH2-O 3.16Å; V210-Q212 HydrophobicContact CG1-CG 4.13Å; V210-Q212 PolarHBondContact O-N 3.39Å; Q212-E256 HydrophobicContact CG-CB 4.16Å; Q212-E256 HydrophobicContact CG-CG 4.24Å; Q212-E256 PolarHBondContact N-OE1 2.95Å; Q212-E256 VanDerWaalsContact NE2-N 3.19Å; Q212-V260 PolarHBondContact NE2-O 2.78Å; Q212-V260 PolarHBondContact OE1-O 2.75Å; Q212-A262 HydrophobicContact CG-CB 4.31Å
213G98.2Very high97.8Very high0 Ų028.8 Ų28.80%013%0.13CC..  trans76.9-176.3-167.300000113.6F206 V210 K211F206-G213 CarbonylContact O-C 3.48Å; F206-G213 WeakPolarHBondContact O-CA 3.4Å; V210-G213 VanDerWaalsContact CG1-O 3.27Å; V210-G213 WeakPolarHBondContact CG1-O 3.26Å; V210-G213 WeakPolarHBondContact O-CA 3.31Å; V210-G213 PolarHBondContact O-N 3.37Å; K211-G213 PolarHBondContact O-N 3.12Å
214Y98.4Very high97.8Very high8 Ų828.8 Ų28.83%0.03113%0.13CC..EExtended strand (participates in β ladder)trans-148.2158.4178.964.6-77.1000110.1R205 F206 P208 Y209 V210 D248 L249R205-Y214 CarbonylContact C-O 3.55Å; R205-Y214 WeakPolarHBondContact CA-O 3.38Å; F206-Y214 HydrophobicContact CB-CD1 4.16Å; F206-Y214 HydrophobicContact CB-CE1 3.67Å; F206-Y214 HydrophobicContact CB-CE2 4.15Å; F206-Y214 AromaticContact CD2-CE2 3.95Å; F206-Y214 HydrophobicContact CD2-CE2 3.95Å; F206-Y214 PolarHBondContact N-O 2.85Å; F206-Y214 PolarHBondContact O-N 3.18Å; P208-Y214 WeakPolarHBondContact O-CD1 3.45Å; P208-Y214 WeakPolarHBondContact O-CE1 3.3Å; Y209-Y214 HydrophobicContact CD2-CE1 4.46Å; V210-Y214 HydrophobicContact CB-CD1 4.44Å; V210-Y214 HydrophobicContact CG2-CD1 4.12Å; V210-Y214 HydrophobicContact CG2-CG 4.49Å; Y214-D248 HydrophobicContact CD2-CB 4.22Å; Y214-D248 HydrophobicContact CE2-CB 4.49Å; Y214-L249 HydrophobicContact CD1-CD1 4.31Å; Y214-L249 HydrophobicContact CD2-CB 4.45Å; Y214-L249 HydrophobicContact CE1-CD1 4.36Å; Y214-L249 HydrophobicContact CE2-CB 4.3Å
215M98.6Very high97.8Very high1 Ų129.9 Ų29.91%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-92.3134.4-177-55-51.4177.800110.3Y201 G203 R204 R205 G217 Y221 D248 A262Y201-M215 HydrophobicContact CD2-CE 4.48Å; Y201-M215 HydrophobicContact CD2-CG 3.68Å; Y201-M215 HydrophobicContact CE2-CB 4.2Å; Y201-M215 HydrophobicContact CE2-CE 4.32Å; Y201-M215 HydrophobicContact CE2-CG 3.41Å; Y201-M215 VanDerWaalsContact CE2-CG 3.41Å; Y201-M215 WeakPolarHBondContact O-CE 3.43Å; G203-M215 VanDerWaalsContact C-SD 3.58Å; G203-M215 VanDerWaalsContact O-SD 3.4Å; R204-M215 CarbonylContact O-C 3.42Å; R204-M215 WeakPolarHBondContact O-CA 3.19Å; R205-M215 HydrophobicContact CB-SD 3.93Å; R205-M215 HydrophobicContact CG-CE 4.49Å; R205-M215 HydrophobicContact CG-SD 4.16Å; M215-G217 PolarHBondContact O-N 3.2Å; M215-Y221 HydrophobicContact CB-CG 4.39Å; M215-D248 VanDerWaalsContact O-CB 3.29Å; M215-D248 WeakPolarHBondContact O-CB 3.47Å; M215-A262 HydrophobicContact CE-CB 3.57Å
216S98.1Very high97.9Very high9 Ų930.3 Ų30.36%0.06314%0.138CC..  trans-55.5128.2175.6-178.20000111.1R204 F206 G218R204-S216 PolarHBondContact O-N 2.87Å; F206-S216 VanDerWaalsContact CE2-CB 3.5Å; S216-G218 PolarHBondContact O-N 3.32Å
217G97Very high97.9Very high3 Ų330 Ų303%0.03114%0.137CC..SBendtrans-64.4-41179.500000113K175 M215 G220 D248K175-G217 PolarHBondContact NZ-O 2.74Å; M215-G217 PolarHBondContact O-N 3.2Å; G217-G220 PolarHBondContact O-N 3.12Å; G217-D248 PolarHBondContact N-OD2 3.45Å
218G96.5Very high98Very high10 Ų1023.8 Ų23.810%0.10311%0.11CC..THydrogen-bonded Turntrans-71.1-41.7-177.600000113.4D177 T180 S216 G220 H317D177-G218 WeakPolarHBondContact OD2-CA 3.23Å; T180-G218 PolarHBondContact OG1-O 2.96Å; T180-G218 VanDerWaalsContact OG1-O 3.05Å; S216-G218 PolarHBondContact O-N 3.32Å; G218-G220 PolarHBondContact O-N 3.48Å; G218-H317 VanDerWaalsContact CA-CD2 3.44Å; G218-H317 WeakPolarHBondContact CA-CD2 3.09Å; G218-H317 VanDerWaalsContact CA-CG 3.41Å; G218-H317 WeakPolarHBondContact CA-ND1 3.36Å; G218-H317 WeakPolarHBondContact O-CB 3.2Å; G218-H317 PolarHBondContact O-CD2 3.48Å
219A97.8Very high98.2Very high0 Ų025.4 Ų25.40%011%0.114CC..THydrogen-bonded Turntrans-61.9-14173.500000112.6R204 F274 P276 S315R204-A219 HydrophobicContact CB-CB 3.72Å; A219-F274 HydrophobicContact CB-CB 4.19Å; A219-P276 HydrophobicContact CB-CB 4.45Å; A219-S315 VanDerWaalsContact O-CB 3.28Å; A219-S315 WeakPolarHBondContact O-CB 3.35Å; A219-S315 PolarHBondContact O-OG 3Å
220G98.6Very high98.3Very high0 Ų022.4 Ų22.40%010%0.101CC..  trans79.9157.7-170.300000112K175 G217 G218 F274K175-G220 WeakPolarHBondContact O-CA 3.28Å; G217-G220 PolarHBondContact O-N 3.12Å; G218-G220 PolarHBondContact O-N 3.48Å; G220-F274 WeakPolarHBondContact O-CD1 3.43Å
221Y98.9Very high98.4Very high0 Ų022.2 Ų22.20%010%0.1CC..EExtended strand (participates in β ladder)trans-149151.1176.957.2-103.5000110T155 F159 K175 F202 M215 L223 E247 L251T155-Y221 VanDerWaalsContact CG2-OH 3.3Å; T155-Y221 WeakPolarHBondContact CG2-OH 3.28Å; F159-Y221 AromaticContact CE2-CE2 3.88Å; F159-Y221 HydrophobicContact CE2-CE2 3.88Å; F159-Y221 AromaticContact CZ-CE2 3.77Å; F159-Y221 HydrophobicContact CZ-CE2 3.77Å; K175-Y221 HydrophobicContact CB-CD2 4Å; K175-Y221 HydrophobicContact CB-CE1 4.21Å; K175-Y221 HydrophobicContact CB-CE2 3.59Å; K175-Y221 HydrophobicContact CB-CG 4.45Å; K175-Y221 HydrophobicContact CD-CD1 4.23Å; K175-Y221 HydrophobicContact CD-CE1 3.66Å; K175-Y221 HydrophobicContact CG-CE1 4.09Å; K175-Y221 HydrophobicContact CG-CE2 4.17Å; K175-Y221 PolarHBondContact N-O 2.76Å; K175-Y221 PolarHBondContact O-N 3.27Å; K175-Y221 VanDerWaalsContact O-N 3.15Å; F202-Y221 CarbonylContact O-C 3.57Å; F202-Y221 WeakPolarHBondContact O-CA 3.17Å; F202-Y221 WeakPolarHBondContact O-CB 3.44Å; M215-Y221 HydrophobicContact CB-CG 4.39Å; Y221-L223 HydrophobicContact CD2-CD1 3.48Å; Y221-L223 VanDerWaalsContact CD2-CD1 3.48Å; Y221-L223 HydrophobicContact CE2-CD1 3.74Å; Y221-E247 PolarHBondContact OH-OE1 3.34Å; Y221-L251 HydrophobicContact CD1-CD2 4.36Å; Y221-L251 HydrophobicContact CD2-CD2 3.88Å; Y221-L251 HydrophobicContact CE1-CD2 3.9Å; Y221-L251 HydrophobicContact CE2-CD1 4.43Å; Y221-L251 HydrophobicContact CE2-CD2 3.36Å; Y221-L251 HydrophobicContact CG-CD2 4.37Å
222V98.9Very high98.4Very high0 Ų013.2 Ų13.20%06%0.061CC..EExtended strand (participates in β ladder)trans-123.5129.5-175.960.60000110.3W172 F173 L174 L187 L191 Y201 F202W172-V222 HydrophobicContact CB-CG2 3.86Å; W172-V222 HydrophobicContact CE3-CG2 4.16Å; F173-V222 WeakPolarHBondContact O-CA 3.45Å; L174-V222 HydrophobicContact CB-CG2 4.42Å; L174-V222 HydrophobicContact CD1-CB 4.18Å; L187-V222 HydrophobicContact CD1-CG1 4.14Å; L191-V222 HydrophobicContact CD1-CG2 4.06Å; L191-V222 HydrophobicContact CD2-CG1 3.95Å; Y201-V222 CarbonylContact C-O 3.37Å; Y201-V222 WeakPolarHBondContact CA-O 3.39Å; Y201-V222 VanDerWaalsContact CB-O 3.28Å; Y201-V222 WeakPolarHBondContact CB-O 3.2Å; F202-V222 HydrophobicContact CB-CG1 3.74Å; F202-V222 HydrophobicContact CD2-CG1 4.19Å; F202-V222 HydrophobicContact CG-CG1 4.47Å; F202-V222 PolarHBondContact N-O 2.95Å; F202-V222 PolarHBondContact O-N 3.33Å
223L98.9Very high98.5Very high0 Ų015 Ų150%07%0.072CC..EExtended strand (participates in β ladder)trans-99.7139.2175.5-80.858.8000109F159 W172 F173 Y221 A227 M255F159-L223 HydrophobicContact CE1-CD2 3.99Å; F159-L223 HydrophobicContact CE2-CD2 4.22Å; F159-L223 HydrophobicContact CZ-CD1 4.02Å; F159-L223 HydrophobicContact CZ-CD2 3.83Å; W172-L223 WeakPolarHBondContact CA-O 3.4Å; F173-L223 PolarHBondContact N-O 3.38Å; F173-L223 PolarHBondContact O-N 3.14Å; Y221-L223 HydrophobicContact CD2-CD1 3.48Å; Y221-L223 VanDerWaalsContact CD2-CD1 3.48Å; Y221-L223 HydrophobicContact CE2-CD1 3.74Å; L223-A227 HydrophobicContact CB-CB 4.12Å; L223-A227 HydrophobicContact CG-CB 4.21Å; L223-M255 HydrophobicContact CD1-CE 4.33Å; L223-M255 HydrophobicContact CD2-CE 3.52Å; L223-M255 HydrophobicContact CG-CE 4.01Å
224S98.9Very high98.5Very high0 Ų015.1 Ų15.10%07%0.073CC..EExtended strand (participates in β ladder)trans-61.3160.9159.956.60000111.3P196 E198 I200 E226 A227 L228P196-S224 WeakPolarHBondContact O-CB 3.4Å; E198-S224 VanDerWaalsContact O-CB 3.27Å; E198-S224 WeakPolarHBondContact O-CB 3.37Å; E198-S224 PolarHBondContact O-OG 2.86Å; I200-S224 PolarHBondContact N-OG 3.45Å; I200-S224 VanDerWaalsContact O-CB 3.25Å; I200-S224 WeakPolarHBondContact O-CB 3.47Å; I200-S224 PolarHBondContact O-N 3.05Å; I200-S224 PolarHBondContact O-OG 3.31Å; S224-E226 VanDerWaalsContact C-N 3.3Å; S224-E226 PolarHBondContact O-N 2.94Å; S224-A227 PolarHBondContact O-N 3.25Å; S224-A227 WeakPolarHBondContact OG-CB 3.28Å; S224-A227 PolarHBondContact OG-N 3.5Å; S224-A227 VanDerWaalsContact OG-N 3.13Å; S224-L228 PolarHBondContact O-N 3Å
225K98.9Very high98.4Very high25 Ų2516 Ų1611%0.1098%0.077CC..Hα-helixtrans-57.3-43.6174.9-169.6176.3-177.8-178.60112.1L167 E168 D171 F173 P196 L228 K229L167-K225 HydrophobicContact CD1-CG 3.84Å; L167-K225 HydrophobicContact CG-CG 4.41Å; L167-K225 VanDerWaalsContact O-CE 3.27Å; L167-K225 WeakPolarHBondContact O-CE 3.27Å; E168-K225 WeakPolarHBondContact OE1-CE 3.48Å; E168-K225 IonicContact OE1-NZ 2.66Å; E168-K225 PolarHBondContact OE1-NZ 3.05Å; E168-K225 IonicContact OE2-NZ 3.93Å; E168-K225 PolarHBondContact OE2-NZ 3.33Å; D171-K225 PolarHBondContact O-N 2.98Å; D171-K225 VanDerWaalsContact O-N 3.07Å; F173-K225 HydrophobicContact CE2-CB 4.02Å; F173-K225 HydrophobicContact CE2-CG 4.1Å; P196-K225 HydrophobicContact CB-CB 4.49Å; P196-K225 PolarHBondContact O-N 3.34Å; P196-K225 VanDerWaalsContact O-N 3.11Å; K225-L228 PolarHBondContact O-N 3.38Å; K225-K229 HydrophobicContact CG-CD 4.45Å; K225-K229 WeakPolarHBondContact O-CG 3.46Å; K225-K229 PolarHBondContact O-N 2.99Å; K225-K229 VanDerWaalsContact O-N 3.11Å
226E98.9Very high98.3Very high32 Ų3222.1 Ų22.115%0.1510%0.104CC..Hα-helixtrans-66.7-39.1176.8179.960.6-16800112.5P196 E197 P199 S224 L228 K229 R230P196-E226 PolarHBondContact O-N 3.03Å; P196-E226 VanDerWaalsContact O-N 3.16Å; E197-E226 WeakPolarHBondContact O-CB 3.45Å; E197-E226 WeakPolarHBondContact O-CG 3.41Å; P199-E226 HydrophobicContact CB-CG 4.08Å; S224-E226 VanDerWaalsContact C-N 3.3Å; S224-E226 PolarHBondContact O-N 2.94Å; E226-L228 VanDerWaalsContact C-N 3.34Å; E226-L228 PolarHBondContact O-N 2.58Å; E226-K229 PolarHBondContact O-N 3.22Å; E226-K229 IonicContact OE2-NZ 2.79Å; E226-K229 PolarHBondContact OE2-NZ 3.12Å; E226-R230 WeakPolarHBondContact O-CG 3.29Å; E226-R230 PolarHBondContact O-N 2.98Å; E226-R230 IonicContact OE1-CZ 3.01Å; E226-R230 IonicContact OE1-NE 2.76Å; E226-R230 PolarHBondContact OE1-NE 3.24Å; E226-R230 IonicContact OE1-NH2 2.76Å; E226-R230 PolarHBondContact OE1-NH2 2.82Å
227A98.9Very high98.2Very high0 Ų026.4 Ų26.40%013%0.13CC..Hα-helixtrans-60.9-41.7174.700000112.3L223 S224 R230 F231 V260L223-A227 HydrophobicContact CB-CB 4.12Å; L223-A227 HydrophobicContact CG-CB 4.21Å; S224-A227 PolarHBondContact O-N 3.25Å; S224-A227 WeakPolarHBondContact OG-CB 3.28Å; S224-A227 PolarHBondContact OG-N 3.5Å; S224-A227 VanDerWaalsContact OG-N 3.13Å; A227-R230 PolarHBondContact O-N 3.49Å; A227-F231 WeakPolarHBondContact O-CB 3.2Å; A227-F231 PolarHBondContact O-N 3Å; A227-V260 HydrophobicContact CB-CG1 3.68Å; A227-V260 HydrophobicContact CB-CG2 3.97Å
228L98.9Very high98.1Very high0 Ų032.5 Ų32.50%016%0.162CC..Hα-helixtrans-62.8-46176.6176.157.5000112.1F159 V162 H163 L167 F173 S224 K225 E226 R230 F231 V232F159-L228 HydrophobicContact CB-CD1 3.71Å; F159-L228 HydrophobicContact CD1-CD1 3.42Å; F159-L228 VanDerWaalsContact CD1-CD1 3.42Å; F159-L228 HydrophobicContact CE1-CD1 4.26Å; F159-L228 HydrophobicContact CG-CD1 3.83Å; V162-L228 HydrophobicContact CG1-CD2 3.84Å; H163-L228 HydrophobicContact CB-CD1 4.49Å; H163-L228 HydrophobicContact CB-CD2 4.41Å; H163-L228 HydrophobicContact CB-CG 4.34Å; L167-L228 HydrophobicContact CD1-CD2 3.89Å; L167-L228 HydrophobicContact CD1-CG 4.28Å; F173-L228 HydrophobicContact CB-CD2 4.28Å; F173-L228 HydrophobicContact CD1-CD2 3.65Å; F173-L228 HydrophobicContact CD2-CB 4.09Å; F173-L228 HydrophobicContact CD2-CD2 3.63Å; F173-L228 HydrophobicContact CE1-CD2 3.81Å; F173-L228 HydrophobicContact CE2-CD2 3.84Å; F173-L228 HydrophobicContact CG-CD2 3.54Å; F173-L228 HydrophobicContact CZ-CD2 3.92Å; S224-L228 PolarHBondContact O-N 3Å; K225-L228 PolarHBondContact O-N 3.38Å; E226-L228 VanDerWaalsContact C-N 3.34Å; E226-L228 PolarHBondContact O-N 2.58Å; L228-R230 PolarHBondContact O-N 3.35Å; L228-F231 PolarHBondContact O-N 3.44Å; L228-V232 HydrophobicContact CD1-CG2 4.05Å; L228-V232 PolarHBondContact O-N 2.86Å
229K98.8Very high98.1Very high63 Ų6337 Ų3727%0.27418%0.179SC..Hα-helixtrans-55.5-52.8176.4-75162.663.7-1520111.2L167 K225 E226 F231 V232 D233L167-K229 HydrophobicContact CD1-CG 3.99Å; L167-K229 HydrophobicContact CD2-CD 4.12Å; L167-K229 HydrophobicContact CD2-CG 3.7Å; L167-K229 HydrophobicContact CG-CG 4.45Å; K225-K229 HydrophobicContact CG-CD 4.45Å; K225-K229 WeakPolarHBondContact O-CG 3.46Å; K225-K229 PolarHBondContact O-N 2.99Å; K225-K229 VanDerWaalsContact O-N 3.11Å; E226-K229 PolarHBondContact O-N 3.22Å; E226-K229 IonicContact OE2-NZ 2.79Å; E226-K229 PolarHBondContact OE2-NZ 3.12Å; K229-F231 VanDerWaalsContact C-N 3.33Å; K229-F231 PolarHBondContact O-N 2.96Å; K229-V232 PolarHBondContact O-N 3.05Å; K229-D233 WeakPolarHBondContact O-CB 3.34Å; K229-D233 PolarHBondContact O-N 3.29Å
230R98.8Very high98.1Very high83 Ų8337.2 Ų37.231%0.31318%0.18SC..Hα-helixtrans-61.1-40.6179.1-68.9-176.2-176-1688.3112.6P199 E226 A227 L228 A234 I258 N259 V260P199-R230 VanDerWaalsContact CB-CZ 3.46Å; E226-R230 WeakPolarHBondContact O-CG 3.29Å; E226-R230 PolarHBondContact O-N 2.98Å; E226-R230 IonicContact OE1-CZ 3.01Å; E226-R230 IonicContact OE1-NE 2.76Å; E226-R230 PolarHBondContact OE1-NE 3.24Å; E226-R230 IonicContact OE1-NH2 2.76Å; E226-R230 PolarHBondContact OE1-NH2 2.82Å; A227-R230 PolarHBondContact O-N 3.49Å; L228-R230 PolarHBondContact O-N 3.35Å; R230-A234 VanDerWaalsContact O-CB 3.24Å; R230-A234 WeakPolarHBondContact O-CB 3.44Å; R230-A234 PolarHBondContact O-N 3.44Å; R230-I258 HydrophobicContact CB-CD1 3.69Å; R230-N259 PolarHBondContact NH1-O 2.85Å; R230-V260 HydrophobicContact CB-CG2 4.45Å
231F98.8Very high97.9Very high1 Ų140.9 Ų40.90%0.00420%0.202CC..Hα-helixtrans-59.6-51.7177.3178.6-97.8000111Y152 I156 F159 A227 L228 K229 D233 A234 F235 L251 C254 M255 I258Y152-F231 HydrophobicContact CE2-CZ 4.43Å; I156-F231 HydrophobicContact CG1-CZ 4.2Å; F159-F231 HydrophobicContact CB-CD1 4Å; F159-F231 HydrophobicContact CB-CE1 3.9Å; F159-F231 HydrophobicContact CD2-CD1 4.28Å; F159-F231 AromaticContact CD2-CE1 3.92Å; F159-F231 HydrophobicContact CD2-CE1 3.92Å; F159-F231 HydrophobicContact CD2-CZ 4.48Å; F159-F231 HydrophobicContact CG-CD1 4.39Å; F159-F231 HydrophobicContact CG-CE1 4.3Å; A227-F231 WeakPolarHBondContact O-CB 3.2Å; A227-F231 PolarHBondContact O-N 3Å; L228-F231 PolarHBondContact O-N 3.44Å; K229-F231 VanDerWaalsContact C-N 3.33Å; K229-F231 PolarHBondContact O-N 2.96Å; F231-D233 PolarHBondContact O-N 2.75Å; F231-A234 PolarHBondContact O-N 3.38Å; F231-F235 HydrophobicContact CD2-CE2 4.14Å; F231-F235 HydrophobicContact CE1-CD2 4.18Å; F231-F235 HydrophobicContact CE1-CE2 4Å; F231-F235 HydrophobicContact CE2-CD2 4.22Å; F231-F235 AromaticContact CE2-CE2 3.47Å; F231-F235 HydrophobicContact CE2-CE2 3.47Å; F231-F235 VanDerWaalsContact CE2-CE2 3.47Å; F231-F235 HydrophobicContact CE2-CZ 4.37Å; F231-F235 HydrophobicContact CZ-CD2 4.02Å; F231-F235 AromaticContact CZ-CE2 3.38Å; F231-F235 HydrophobicContact CZ-CE2 3.38Å; F231-F235 HydrophobicContact CZ-CZ 4.14Å; F231-F235 WeakPolarHBondContact O-CD2 3.49Å; F231-F235 PolarHBondContact O-N 3.28Å; F231-L251 HydrophobicContact CD2-CD1 4.2Å; F231-L251 HydrophobicContact CE2-CD1 3.58Å; F231-L251 HydrophobicContact CE2-CG 4.48Å; F231-L251 HydrophobicContact CZ-CD1 3.84Å; F231-C254 HydrophobicContact CD2-CB 4.38Å; F231-C254 HydrophobicContact CE2-CB 4.2Å; F231-M255 HydrophobicContact CB-CE 4.15Å; F231-M255 HydrophobicContact CD2-CE 3.59Å; F231-M255 HydrophobicContact CE2-CE 4.28Å; F231-M255 HydrophobicContact CG-CE 4.07Å; F231-I258 HydrophobicContact CB-CD1 4.2Å
232V98.5Very high97.5Very high5 Ų543.4 Ų43.43%0.0321%0.214CC..Hα-helixtrans-64.5-41.6-179.11700000111.8Q160 H163 L228 K229 A234 F235 K236Q160-V232 HydrophobicContact CG-CG1 4.45Å; Q160-V232 HydrophobicContact CG-CG2 4.44Å; H163-V232 HydrophobicContact CB-CB 4.35Å; H163-V232 HydrophobicContact CB-CG1 4.35Å; H163-V232 HydrophobicContact CB-CG2 3.72Å; L228-V232 HydrophobicContact CD1-CG2 4.05Å; L228-V232 PolarHBondContact O-N 2.86Å; K229-V232 PolarHBondContact O-N 3.05Å; V232-A234 VanDerWaalsContact C-N 3.33Å; V232-A234 PolarHBondContact O-N 3.05Å; V232-F235 PolarHBondContact O-N 2.73Å; V232-K236 PolarHBondContact O-N 3.44Å
233D98.5Very high97Very high74 Ų7446.2 Ų46.240%0.39623%0.233SC..Hα-helixtrans-67.3-31.8177.6-73.4-16.5000113.1K229 F231 F235 K236 T237K229-D233 WeakPolarHBondContact O-CB 3.34Å; K229-D233 PolarHBondContact O-N 3.29Å; F231-D233 PolarHBondContact O-N 2.75Å; D233-F235 VanDerWaalsContact C-N 3.28Å; D233-F235 PolarHBondContact O-N 3.16Å; D233-K236 PolarHBondContact O-N 3.14Å; D233-K236 IonicContact OD1-NZ 2.73Å; D233-K236 PolarHBondContact OD1-NZ 2.81Å; D233-T237 WeakPolarHBondContact O-CG2 3.37Å; D233-T237 PolarHBondContact O-N 2.92Å; D233-T237 VanDerWaalsContact O-N 3.08Å; D233-T237 PolarHBondContact O-OG1 3.36Å
234A98.4Very high96.6Very high4 Ų447.4 Ų47.43%0.03324%0.242CC..Hα-helixtrans-66.1-30175.400000113R230 F231 V232 T237 D238 K239 C240 I258R230-A234 VanDerWaalsContact O-CB 3.24Å; R230-A234 WeakPolarHBondContact O-CB 3.44Å; R230-A234 PolarHBondContact O-N 3.44Å; F231-A234 PolarHBondContact O-N 3.38Å; V232-A234 VanDerWaalsContact C-N 3.33Å; V232-A234 PolarHBondContact O-N 3.05Å; A234-T237 WeakPolarHBondContact CA-OG1 3.21Å; A234-T237 PolarHBondContact O-OG1 2.94Å; A234-D238 PolarHBondContact O-N 3.48Å; A234-K239 HydrophobicContact CB-CB 4.19Å; A234-K239 PolarHBondContact O-N 2.97Å; A234-C240 HydrophobicContact CB-CB 4.05Å; A234-C240 PolarHBondContact O-N 3.35Å; A234-I258 HydrophobicContact CB-CG2 3.45Å; A234-I258 VanDerWaalsContact CB-CG2 3.45Å
235F97.6Very high96.1Very high26 Ų2650.5 Ų50.511%0.11426%0.263CS..Hα-helixtrans-77.5-30.6172.1-84.7-90.6000112.9Y152 I156 F231 V232 D233 T237 C240Y152-F235 HydrophobicContact CE1-CZ 4.3Å; Y152-F235 AromaticContact CZ-CZ 3.95Å; Y152-F235 WeakPolarHBondContact OH-CZ 3.49Å; I156-F235 HydrophobicContact CD1-CD1 4.34Å; I156-F235 HydrophobicContact CD1-CE1 3.39Å; I156-F235 HydrophobicContact CD1-CZ 3.55Å; I156-F235 HydrophobicContact CG1-CD1 4.49Å; I156-F235 HydrophobicContact CG1-CE1 3.74Å; I156-F235 HydrophobicContact CG1-CE2 4.16Å; I156-F235 HydrophobicContact CG1-CZ 3.55Å; I156-F235 HydrophobicContact CG2-CD1 3.96Å; I156-F235 HydrophobicContact CG2-CE1 4.04Å; I156-F235 HydrophobicContact CG2-CG 4.25Å; I156-F235 HydrophobicContact CG2-CZ 4.41Å; F231-F235 HydrophobicContact CD2-CE2 4.14Å; F231-F235 HydrophobicContact CE1-CD2 4.18Å; F231-F235 HydrophobicContact CE1-CE2 4Å; F231-F235 HydrophobicContact CE2-CD2 4.22Å; F231-F235 AromaticContact CE2-CE2 3.47Å; F231-F235 HydrophobicContact CE2-CE2 3.47Å; F231-F235 VanDerWaalsContact CE2-CE2 3.47Å; F231-F235 HydrophobicContact CE2-CZ 4.37Å; F231-F235 HydrophobicContact CZ-CD2 4.02Å; F231-F235 AromaticContact CZ-CE2 3.38Å; F231-F235 HydrophobicContact CZ-CE2 3.38Å; F231-F235 HydrophobicContact CZ-CZ 4.14Å; F231-F235 WeakPolarHBondContact O-CD2 3.49Å; F231-F235 PolarHBondContact O-N 3.28Å; V232-F235 PolarHBondContact O-N 2.73Å; D233-F235 VanDerWaalsContact C-N 3.28Å; D233-F235 PolarHBondContact O-N 3.16Å; F235-T237 PolarHBondContact O-N 3.24Å; F235-C240 WeakPolarHBondContact CD1-O 3.49Å; F235-C240 HydrophobicContact CD2-CB 3.83Å; F235-C240 HydrophobicContact CE1-CB 4.48Å; F235-C240 HydrophobicContact CE2-CB 3.51Å; F235-C240 HydrophobicContact CG-CB 4.42Å; F235-C240 HydrophobicContact CZ-CB 3.89Å
236K95.6Very high95.9Very high130 Ų13053.1 Ų53.157%0.56528%0.278SS*.Hα-helixtrans-68.5-27.3173.4-65.2174.4-167.1152.30112.5V232 D233V232-K236 PolarHBondContact O-N 3.44Å; D233-K236 PolarHBondContact O-N 3.14Å; D233-K236 IonicContact OD1-NZ 2.73Å; D233-K236 PolarHBondContact OD1-NZ 2.81Å
237T96.1Very high95.8Very high98 Ų9852.2 Ų52.260%0.60127%0.274SS*.THydrogen-bonded Turntrans-103.79.5-176.9550000113.3D233 A234 F235 K239D233-T237 WeakPolarHBondContact O-CG2 3.37Å; D233-T237 PolarHBondContact O-N 2.92Å; D233-T237 VanDerWaalsContact O-N 3.08Å; D233-T237 PolarHBondContact O-OG1 3.36Å; A234-T237 WeakPolarHBondContact CA-OG1 3.21Å; A234-T237 PolarHBondContact O-OG1 2.94Å; F235-T237 PolarHBondContact O-N 3.24Å; T237-K239 PolarHBondContact O-N 2.97Å
238D95.7Very high95.7Very high131 Ų13153.4 Ų53.470%0.70128%0.28SS*.THydrogen-bonded Turntrans55.813.7-176.6-61.3-51.8000115.3A234 C240A234-D238 PolarHBondContact O-N 3.48Å; D238-C240 VanDerWaalsContact C-N 3.28Å; D238-C240 PolarHBondContact O-N 3.04Å
239K96.7Very high95.6Very high106 Ų10653.8 Ų53.846%0.46128%0.282SS..SBendtrans-67.4-33.3174.4-173.7176.4179.5-168.50111.3A234 T237 I257 I258A234-K239 HydrophobicContact CB-CB 4.19Å; A234-K239 PolarHBondContact O-N 2.97Å; T237-K239 PolarHBondContact O-N 2.97Å; K239-I257 HydrophobicContact CD-CG2 4.23Å; K239-I257 WeakPolarHBondContact CE-O 3.33Å; K239-I257 HydrophobicContact CG-CG2 3.74Å; K239-I257 PolarHBondContact NZ-O 3.29Å; K239-I258 HydrophobicContact CD-CG2 4.18Å
240C97.3Very high95.6Very high4 Ų450.8 Ų50.83%0.02727%0.269CS..SBendtrans-117143.5166.8-67.90000110.4A234 F235 D238 C254A234-C240 HydrophobicContact CB-CB 4.05Å; A234-C240 PolarHBondContact O-N 3.35Å; F235-C240 WeakPolarHBondContact CD1-O 3.49Å; F235-C240 HydrophobicContact CD2-CB 3.83Å; F235-C240 HydrophobicContact CE1-CB 4.48Å; F235-C240 HydrophobicContact CE2-CB 3.51Å; F235-C240 HydrophobicContact CG-CB 4.42Å; F235-C240 HydrophobicContact CZ-CB 3.89Å; D238-C240 VanDerWaalsContact C-N 3.28Å; D238-C240 PolarHBondContact O-N 3.04Å; C240-C254 HydrophobicContact CB-CB 3.91Å; C240-C254 WeakPolarHBondContact CB-SG 3.5Å; C240-C254 WeakPolarHBondContact SG-CA 3.46Å; C240-C254 WeakPolarHBondContact SG-CB 3.09Å; C240-C254 CovalentContact SG-SG 2.03Å; C240-C254 PolarHBondContact SG-SG 3.44Å
241T94.9Very high95.6Very high76 Ų7646.9 Ų46.947%0.46625%0.254SS..  trans-137.3174.6177.561.70000109.7S243T241-S243 PolarHBondContact O-N 3.37Å
242H89.6Confident95.6Very high53 Ų5346.8 Ų46.825%0.24525%0.254CS..  trans-68.681.6171.7-170.7-63.9000111Y152 W153 I156 S244Y152-H242 HydrophobicContact CD1-CB 4.37Å; Y152-H242 AromaticContact CD1-CD2 3.75Å; Y152-H242 AromaticContact CD1-CG 3.9Å; W153-H242 AromaticContact CD1-CD2 3.19Å; W153-H242 AromaticContact CD1-NE2 3.33Å; W153-H242 VanDerWaalsContact CD1-NE2 3.33Å; W153-H242 AromaticContact CD2-CD2 3.68Å; W153-H242 AromaticContact CE2-CD2 3.54Å; W153-H242 AromaticContact CE2-CG 3.95Å; W153-H242 AromaticContact CG-CD2 3.48Å; W153-H242 VanDerWaalsContact CG-CD2 3.48Å; W153-H242 AromaticContact CG-NE2 3.89Å; W153-H242 HydrophobicContact CZ2-CB 3.97Å; W153-H242 AromaticContact NE1-CD2 3.21Å; W153-H242 PolarHBondContact NE1-CD2 3.35Å; W153-H242 AromaticContact NE1-CG 3.72Å; W153-H242 AromaticContact NE1-NE2 3.66Å; I156-H242 HydrophobicContact CD1-CB 4.42Å; H242-S244 PolarHBondContact CE1-O 3.35Å; H242-S244 PolarHBondContact ND1-O 3.47Å
243S87.8Confident95.6Very high59 Ų5950.7 Ų50.741%0.41327%0.268SS..  trans-86.2-14.9-168.266.20000115.4T241T241-S243 PolarHBondContact O-N 3.37Å
244S91.8Very high95.6Very high25 Ų2547.4 Ų47.418%0.17525%0.251CS..  trans-157.2157.2177.5-171.90000110.8H242 I246H242-S244 PolarHBondContact CE1-O 3.35Å; H242-S244 PolarHBondContact ND1-O 3.47Å; S244-I246 VanDerWaalsContact C-N 3.26Å; S244-I246 PolarHBondContact OG-N 3.09Å; S244-I246 VanDerWaalsContact OG-N 3.14Å
245S88Confident95.6Very high65 Ų6547.2 Ų47.246%0.45525%0.249SC..SBendtrans-77.7-11.3166.552.50000113.1E247S245-E247 PolarHBondContact O-N 3.35Å
246I94.3Very high95.6Very high80 Ų8049 Ų4941%0.4126%0.258SS..SBendtrans-87.9102.2173.4-57173.5000107.3S244 D248 L249 A250S244-I246 VanDerWaalsContact C-N 3.26Å; S244-I246 PolarHBondContact OG-N 3.09Å; S244-I246 VanDerWaalsContact OG-N 3.14Å; I246-D248 WeakPolarHBondContact CG2-OD1 3.44Å; I246-D248 PolarHBondContact O-N 3.07Å; I246-L249 HydrophobicContact CB-CB 4.1Å; I246-L249 HydrophobicContact CB-CD2 4.48Å; I246-L249 HydrophobicContact CD1-CD2 4.39Å; I246-L249 HydrophobicContact CG2-CB 3.69Å; I246-A250 WeakPolarHBondContact O-CB 3.3Å; I246-A250 PolarHBondContact O-N 2.76Å
247E96.9Very high95.8Very high13 Ų1346.8 Ų46.86%0.06125%0.251CS..Hα-helixtrans-56.7-50.6-169.3179.4-89.1179.300114L151 Y152 T155 Y221 S245 A250 L251L151-E247 HydrophobicContact CB-CB 3.87Å; L151-E247 HydrophobicContact CB-CG 4.25Å; Y152-E247 HydrophobicContact CD2-CG 4.16Å; T155-E247 WeakPolarHBondContact CB-OE1 3.35Å; T155-E247 HydrophobicContact CG2-CG 4.43Å; T155-E247 VanDerWaalsContact CG2-OE1 3.26Å; T155-E247 WeakPolarHBondContact CG2-OE1 3.4Å; T155-E247 WeakPolarHBondContact OG1-CG 3.01Å; T155-E247 PolarHBondContact OG1-OE1 2.62Å; Y221-E247 PolarHBondContact OH-OE1 3.34Å; S245-E247 PolarHBondContact O-N 3.35Å; E247-A250 PolarHBondContact O-N 2.8Å; E247-L251 WeakPolarHBondContact O-CB 3.17Å; E247-L251 PolarHBondContact O-N 2.81Å
248D97.2Very high95.9Very high26 Ų2642.6 Ų42.614%0.13923%0.225CC..Hα-helixtrans-70.7-39.1-17455.40.5000112.5Y214 M215 G217 I246 G252Y214-D248 HydrophobicContact CD2-CB 4.22Å; Y214-D248 HydrophobicContact CE2-CB 4.49Å; M215-D248 VanDerWaalsContact O-CB 3.29Å; M215-D248 WeakPolarHBondContact O-CB 3.47Å; G217-D248 PolarHBondContact N-OD2 3.45Å; I246-D248 WeakPolarHBondContact CG2-OD1 3.44Å; I246-D248 PolarHBondContact O-N 3.07Å; D248-G252 PolarHBondContact O-N 2.89Å
249L97.4Very high96Very high7 Ų742.2 Ų42.24%0.03722%0.223CC..Hα-helixtrans-61.7-44.8171174.757.8000111.5Y209 V210 Y214 I246 G252 R253Y209-L249 HydrophobicContact CD2-CD1 4.3Å; Y209-L249 HydrophobicContact CD2-CD2 4.16Å; Y209-L249 HydrophobicContact CG-CD1 4.31Å; Y209-L249 HydrophobicContact CG-CD2 4.32Å; V210-L249 HydrophobicContact CG2-CD1 3.56Å; Y214-L249 HydrophobicContact CD1-CD1 4.31Å; Y214-L249 HydrophobicContact CD2-CB 4.45Å; Y214-L249 HydrophobicContact CE1-CD1 4.36Å; Y214-L249 HydrophobicContact CE2-CB 4.3Å; I246-L249 HydrophobicContact CB-CB 4.1Å; I246-L249 HydrophobicContact CB-CD2 4.48Å; I246-L249 HydrophobicContact CD1-CD2 4.39Å; I246-L249 HydrophobicContact CG2-CB 3.69Å; L249-G252 PolarHBondContact O-N 3.33Å; L249-R253 HydrophobicContact CD1-CG 4.3Å; L249-R253 WeakPolarHBondContact O-CB 3.4Å; L249-R253 WeakPolarHBondContact O-CG 3.41Å; L249-R253 PolarHBondContact O-N 2.87Å
250A97.9Very high96.1Very high0 Ų037.2 Ų37.20%020%0.202CC..Hα-helixtrans-66.4-42.5-179.200000111.6Y152 I246 E247 C254Y152-A250 HydrophobicContact CD1-CB 3.38Å; Y152-A250 HydrophobicContact CD2-CB 4.05Å; Y152-A250 HydrophobicContact CE1-CB 3.26Å; Y152-A250 HydrophobicContact CE2-CB 3.95Å; Y152-A250 HydrophobicContact CG-CB 3.79Å; Y152-A250 PolarHBondContact OH-O 3.24Å; I246-A250 WeakPolarHBondContact O-CB 3.3Å; I246-A250 PolarHBondContact O-N 2.76Å; E247-A250 PolarHBondContact O-N 2.8Å; A250-C254 PolarHBondContact O-N 3.19Å; A250-C254 VanDerWaalsContact O-N 3.09Å
251L98.5Very high96.2Very high1 Ų142.9 Ų42.91%0.00523%0.228CC..Hα-helixtrans-60.2-51.6172.6-175.198.1000110.8Y152 T155 F159 Y221 F231 E247 R253 C254 M255Y152-L251 HydrophobicContact CE2-CB 4.13Å; T155-L251 HydrophobicContact CG2-CD1 3.99Å; F159-L251 HydrophobicContact CD2-CD1 4.39Å; F159-L251 HydrophobicContact CE2-CD1 3.98Å; Y221-L251 HydrophobicContact CD1-CD2 4.36Å; Y221-L251 HydrophobicContact CD2-CD2 3.88Å; Y221-L251 HydrophobicContact CE1-CD2 3.9Å; Y221-L251 HydrophobicContact CE2-CD1 4.43Å; Y221-L251 HydrophobicContact CE2-CD2 3.36Å; Y221-L251 HydrophobicContact CG-CD2 4.37Å; F231-L251 HydrophobicContact CD2-CD1 4.2Å; F231-L251 HydrophobicContact CE2-CD1 3.58Å; F231-L251 HydrophobicContact CE2-CG 4.48Å; F231-L251 HydrophobicContact CZ-CD1 3.84Å; E247-L251 WeakPolarHBondContact O-CB 3.17Å; E247-L251 PolarHBondContact O-N 2.81Å; L251-R253 VanDerWaalsContact C-N 3.31Å; L251-R253 PolarHBondContact O-N 2.86Å; L251-C254 CarbonylContact O-C 3.52Å; L251-C254 WeakPolarHBondContact O-CA 3.18Å; L251-C254 WeakPolarHBondContact O-CB 3.24Å; L251-C254 PolarHBondContact O-N 2.8Å; L251-M255 HydrophobicContact CD1-CE 3.78Å; L251-M255 HydrophobicContact CD2-CE 4.18Å; L251-M255 HydrophobicContact CG-CE 3.79Å; L251-M255 HydrophobicContact CG-CG 4.49Å; L251-M255 WeakPolarHBondContact O-CG 3.47Å; L251-M255 PolarHBondContact O-N 3.37Å
252G98.3Very high96.4Very high0 Ų039.3 Ų39.30%021%0.206CC..Hα-helixtrans-60.2-37.9-17900000113.5D248 L249 M255 E256D248-G252 PolarHBondContact O-N 2.89Å; L249-G252 PolarHBondContact O-N 3.33Å; G252-M255 PolarHBondContact O-N 2.7Å; G252-E256 PolarHBondContact O-N 3.43Å
253R98.4Very high96.8Very high87 Ų8736.9 Ų36.933%0.32820%0.195SC..Hα-helixtrans-61.2-44.7170.5-76.8176.9176.1166.30.6112V210 L249 L251 E256 I257V210-R253 HydrophobicContact CG2-CG 3.66Å; L249-R253 HydrophobicContact CD1-CG 4.3Å; L249-R253 WeakPolarHBondContact O-CB 3.4Å; L249-R253 WeakPolarHBondContact O-CG 3.41Å; L249-R253 PolarHBondContact O-N 2.87Å; L251-R253 VanDerWaalsContact C-N 3.31Å; L251-R253 PolarHBondContact O-N 2.86Å; R253-E256 PolarHBondContact O-N 2.97Å; R253-I257 WeakPolarHBondContact O-CD1 3.39Å; R253-I257 VanDerWaalsContact O-CG1 3.3Å; R253-I257 WeakPolarHBondContact O-CG1 3.2Å; R253-I257 PolarHBondContact O-N 2.85Å
254C98.6Very high97.2Very high4 Ų436.8 Ų36.83%0.02719%0.19CC..Hα-helixtrans-59.7-49.5175.9-1800000110.2F231 C240 A250 L251 E256 I257 I258F231-C254 HydrophobicContact CD2-CB 4.38Å; F231-C254 HydrophobicContact CE2-CB 4.2Å; C240-C254 HydrophobicContact CB-CB 3.91Å; C240-C254 WeakPolarHBondContact CB-SG 3.5Å; C240-C254 WeakPolarHBondContact SG-CA 3.46Å; C240-C254 WeakPolarHBondContact SG-CB 3.09Å; C240-C254 CovalentContact SG-SG 2.03Å; C240-C254 PolarHBondContact SG-SG 3.44Å; A250-C254 PolarHBondContact O-N 3.19Å; A250-C254 VanDerWaalsContact O-N 3.09Å; L251-C254 CarbonylContact O-C 3.52Å; L251-C254 WeakPolarHBondContact O-CA 3.18Å; L251-C254 WeakPolarHBondContact O-CB 3.24Å; L251-C254 PolarHBondContact O-N 2.8Å; C254-E256 VanDerWaalsContact C-N 3.28Å; C254-E256 PolarHBondContact O-N 3.15Å; C254-I257 WeakPolarHBondContact O-CA 3.26Å; C254-I257 WeakPolarHBondContact O-CB 3.39Å; C254-I257 PolarHBondContact O-N 2.81Å; C254-I258 VanDerWaalsContact O-CG1 3.28Å; C254-I258 WeakPolarHBondContact O-CG1 3.34Å; C254-I258 PolarHBondContact O-N 3.08Å
255M98.7Very high97.5Very high0 Ų035.7 Ų35.70%018%0.182CC..Hα-helixtrans-52.4-44.5177.9-63.8-53.3165.400112.4Y201 L223 F231 L251 G252 I258 N259 V260Y201-M255 HydrophobicContact CD1-CB 4.37Å; Y201-M255 HydrophobicContact CD1-CG 4.25Å; Y201-M255 HydrophobicContact CD2-CG 4.3Å; Y201-M255 HydrophobicContact CE1-CB 3.72Å; Y201-M255 HydrophobicContact CE1-CG 3.93Å; Y201-M255 HydrophobicContact CE2-CB 4.46Å; Y201-M255 HydrophobicContact CE2-CG 3.96Å; Y201-M255 HydrophobicContact CG-CG 4.44Å; L223-M255 HydrophobicContact CD1-CE 4.33Å; L223-M255 HydrophobicContact CD2-CE 3.52Å; L223-M255 HydrophobicContact CG-CE 4.01Å; F231-M255 HydrophobicContact CB-CE 4.15Å; F231-M255 HydrophobicContact CD2-CE 3.59Å; F231-M255 HydrophobicContact CE2-CE 4.28Å; F231-M255 HydrophobicContact CG-CE 4.07Å; L251-M255 HydrophobicContact CD1-CE 3.78Å; L251-M255 HydrophobicContact CD2-CE 4.18Å; L251-M255 HydrophobicContact CG-CE 3.79Å; L251-M255 HydrophobicContact CG-CG 4.49Å; L251-M255 WeakPolarHBondContact O-CG 3.47Å; L251-M255 PolarHBondContact O-N 3.37Å; G252-M255 PolarHBondContact O-N 2.7Å; M255-I258 WeakPolarHBondContact O-CG1 3.47Å; M255-I258 PolarHBondContact O-N 3.43Å; M255-I258 HydrophobicContact SD-CD1 4.02Å; M255-N259 PolarHBondContact O-N 2.9Å; M255-V260 HydrophobicContact CB-CB 4.07Å; M255-V260 HydrophobicContact CB-CG1 4.26Å; M255-V260 HydrophobicContact CG-CG1 4.35Å; M255-V260 PolarHBondContact O-N 3.13Å; M255-V260 HydrophobicContact SD-CB 3.9Å; M255-V260 HydrophobicContact SD-CG1 3.76Å; M255-V260 HydrophobicContact SD-CG2 4.16Å
256E98.5Very high97.9Very high64 Ų6435.9 Ų35.930%0.29917%0.173SC..Hα-helixtrans-62.3-45.3175.3-173.6169.5-103.100112.4V210 K211 Q212 G252 R253 C254 I258 N259V210-E256 HydrophobicContact CG1-CB 4.03Å; V210-E256 HydrophobicContact CG1-CG 4.43Å; K211-E256 WeakPolarHBondContact CA-OE1 3.44Å; K211-E256 VanDerWaalsContact CB-OE1 3.26Å; K211-E256 WeakPolarHBondContact CB-OE1 3.4Å; K211-E256 PolarHBondContact N-OE1 3.44Å; K211-E256 VanDerWaalsContact N-OE1 3.08Å; Q212-E256 HydrophobicContact CG-CB 4.16Å; Q212-E256 HydrophobicContact CG-CG 4.24Å; Q212-E256 PolarHBondContact N-OE1 2.95Å; Q212-E256 VanDerWaalsContact NE2-N 3.19Å; G252-E256 PolarHBondContact O-N 3.43Å; R253-E256 PolarHBondContact O-N 2.97Å; C254-E256 VanDerWaalsContact C-N 3.28Å; C254-E256 PolarHBondContact O-N 3.15Å; E256-I258 VanDerWaalsContact C-N 3.26Å; E256-I258 PolarHBondContact O-N 2.86Å; E256-N259 PolarHBondContact O-N 3.17Å
257I98.3Very high97.9Very high84 Ų8432.6 Ų32.643%0.43116%0.156SC..Hα-helixtrans-61.7-34.2178.4-72.2164.8000112K239 R253 C254K239-I257 HydrophobicContact CD-CG2 4.23Å; K239-I257 WeakPolarHBondContact CE-O 3.33Å; K239-I257 HydrophobicContact CG-CG2 3.74Å; K239-I257 PolarHBondContact NZ-O 3.29Å; R253-I257 WeakPolarHBondContact O-CD1 3.39Å; R253-I257 VanDerWaalsContact O-CG1 3.3Å; R253-I257 WeakPolarHBondContact O-CG1 3.2Å; R253-I257 PolarHBondContact O-N 2.85Å; C254-I257 WeakPolarHBondContact O-CA 3.26Å; C254-I257 WeakPolarHBondContact O-CB 3.39Å; C254-I257 PolarHBondContact O-N 2.81Å
258I98.6Very high97.6Very high9 Ų936.6 Ų36.65%0.04618%0.181CC..THydrogen-bonded Turntrans-95.210.9-177.565.9163.7000113.5R230 F231 A234 K239 C254 M255 E256 V260R230-I258 HydrophobicContact CB-CD1 3.69Å; F231-I258 HydrophobicContact CB-CD1 4.2Å; A234-I258 HydrophobicContact CB-CG2 3.45Å; A234-I258 VanDerWaalsContact CB-CG2 3.45Å; K239-I258 HydrophobicContact CD-CG2 4.18Å; C254-I258 VanDerWaalsContact O-CG1 3.28Å; C254-I258 WeakPolarHBondContact O-CG1 3.34Å; C254-I258 PolarHBondContact O-N 3.08Å; M255-I258 WeakPolarHBondContact O-CG1 3.47Å; M255-I258 PolarHBondContact O-N 3.43Å; M255-I258 HydrophobicContact SD-CD1 4.02Å; E256-I258 VanDerWaalsContact C-N 3.26Å; E256-I258 PolarHBondContact O-N 2.86Å; I258-V260 VanDerWaalsContact C-N 3.27Å; I258-V260 HydrophobicContact CD1-CB 4.4Å; I258-V260 HydrophobicContact CD1-CG2 3.58Å; I258-V260 HydrophobicContact CG1-CB 4.23Å; I258-V260 HydrophobicContact CG1-CG2 3.73Å; I258-V260 PolarHBondContact O-N 3.04Å
259N98.5Very high97.3Very high124 Ų12439.6 Ų39.666%0.66320%0.201SC*.THydrogen-bonded Turntrans5444.2-179-55-49.6000112.2R230 M255 E256R230-N259 PolarHBondContact NH1-O 2.85Å; M255-N259 PolarHBondContact O-N 2.9Å; E256-N259 PolarHBondContact O-N 3.17Å
260V98.9Very high97.1Very high1 Ų140.8 Ų40.81%0.00622%0.215CC..  trans-95.3121.3166.2169.40000107.7P199 Y201 Q212 A227 R230 M255 I258P199-V260 HydrophobicContact CB-CG2 4.07Å; P199-V260 CarbonylContact O-C 3.49Å; P199-V260 VanDerWaalsContact O-CA 3.27Å; P199-V260 WeakPolarHBondContact O-CA 3.36Å; Y201-V260 HydrophobicContact CD1-CG1 3.6Å; Y201-V260 HydrophobicContact CE1-CG1 4.23Å; Y201-V260 HydrophobicContact CG-CG1 4.3Å; Q212-V260 PolarHBondContact NE2-O 2.78Å; Q212-V260 PolarHBondContact OE1-O 2.75Å; A227-V260 HydrophobicContact CB-CG1 3.68Å; A227-V260 HydrophobicContact CB-CG2 3.97Å; R230-V260 HydrophobicContact CB-CG2 4.45Å; M255-V260 HydrophobicContact CB-CB 4.07Å; M255-V260 HydrophobicContact CB-CG1 4.26Å; M255-V260 HydrophobicContact CG-CG1 4.35Å; M255-V260 PolarHBondContact O-N 3.13Å; M255-V260 HydrophobicContact SD-CB 3.9Å; M255-V260 HydrophobicContact SD-CG1 3.76Å; M255-V260 HydrophobicContact SD-CG2 4.16Å; I258-V260 VanDerWaalsContact C-N 3.27Å; I258-V260 HydrophobicContact CD1-CB 4.4Å; I258-V260 HydrophobicContact CD1-CG2 3.58Å; I258-V260 HydrophobicContact CG1-CB 4.23Å; I258-V260 HydrophobicContact CG1-CG2 3.73Å; I258-V260 PolarHBondContact O-N 3.04Å
261E98.8Very high97Very high123 Ų12343.9 Ų43.958%0.57523%0.229SC*.EExtended strand (participates in β ladder)trans-73.6128.6-176.6-178.9176.2173.900110.9P199 I200 Y201 G263P199-E261 PolarHBondContact O-N 2.61Å; I200-E261 WeakPolarHBondContact CA-O 3.44Å; I200-E261 HydrophobicContact CG1-CB 4.39Å; I200-E261 WeakPolarHBondContact CG1-O 3.42Å; Y201-E261 WeakPolarHBondContact CD1-O 3.39Å; Y201-E261 PolarHBondContact N-O 3.34Å; E261-G263 PolarHBondContact O-N 2.83Å
262A98.6Very high96.9Very high1 Ų144.5 Ų44.51%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-73.6105.4164.100000109.4Y201 R205 Q212 M215Y201-A262 HydrophobicContact CD1-CB 4.34Å; Y201-A262 HydrophobicContact CE1-CB 3.54Å; R205-A262 VanDerWaalsContact CZ-CB 3.49Å; R205-A262 PolarHBondContact NH1-O 3.4Å; R205-A262 PolarHBondContact NH2-O 2.91Å; Q212-A262 HydrophobicContact CG-CB 4.31Å; M215-A262 HydrophobicContact CE-CB 3.57Å
263G98.1Very high96.9Very high2 Ų244.5 Ų44.52%0.02123%0.231CC..  trans-73.1158.2-178.700000113.2Y201 E261Y201-G263 PolarHBondContact O-N 2.87Å; E261-G263 PolarHBondContact O-N 2.83Å
264D97.8Very high96.9Very high56 Ų5640.4 Ų40.430%0.29922%0.216SC..  trans-85.3110.2172.4-163.2-25.2000109.6Y194 R266 Y300Y194-D264 PolarHBondContact OH-O 3.46Å; D264-R266 VanDerWaalsContact OD1-CB 3.29Å; D264-R266 WeakPolarHBondContact OD1-CB 3.23Å; D264-R266 WeakPolarHBondContact OD1-CG 3.38Å; D264-R266 IonicContact OD1-CZ 3.22Å; D264-R266 PolarHBondContact OD1-N 2.67Å; D264-R266 VanDerWaalsContact OD1-N 3.07Å; D264-R266 IonicContact OD1-NE 3.14Å; D264-R266 PolarHBondContact OD1-NE 3.38Å; D264-R266 IonicContact OD1-NH2 3.95Å; D264-R266 IonicContact OD2-CZ 2.65Å; D264-R266 IonicContact OD2-NE 2.86Å; D264-R266 PolarHBondContact OD2-NE 2.9Å; D264-R266 IonicContact OD2-NH2 3.98Å; D264-R266 PolarHBondContact OD2-NH2 3.38Å; D264-Y300 PolarHBondContact OD1-OH 2.91Å; D264-Y300 PolarHBondContact OD2-OH 2.92Å; D264-Y300 VanDerWaalsContact OD2-OH 3.04Å
265S97.4Very high96.8Very high2 Ų240.2 Ų40.21%0.01422%0.215CC..  trans-90.1-0.8-178.262.90000113.7L190 G203 T273L190-S265 WeakPolarHBondContact CD1-O 3.45Å; G203-S265 PolarHBondContact O-OG 3.3Å; S265-T273 VanDerWaalsContact O-CG2 3.3Å; S265-T273 WeakPolarHBondContact O-CG2 3.06Å; S265-T273 PolarHBondContact O-OG1 3.35Å
266R96.8Very high96.7Very high70 Ų7040.4 Ų40.426%0.26422%0.216SC..SBendtrans-67.8156-178.1-63.4176.6-58.5151.51.1110.8D264 G270 K271 Y300D264-R266 VanDerWaalsContact OD1-CB 3.29Å; D264-R266 WeakPolarHBondContact OD1-CB 3.23Å; D264-R266 WeakPolarHBondContact OD1-CG 3.38Å; D264-R266 IonicContact OD1-CZ 3.22Å; D264-R266 PolarHBondContact OD1-N 2.67Å; D264-R266 VanDerWaalsContact OD1-N 3.07Å; D264-R266 IonicContact OD1-NE 3.14Å; D264-R266 PolarHBondContact OD1-NE 3.38Å; D264-R266 IonicContact OD1-NH2 3.95Å; D264-R266 IonicContact OD2-CZ 2.65Å; D264-R266 IonicContact OD2-NE 2.86Å; D264-R266 PolarHBondContact OD2-NE 2.9Å; D264-R266 IonicContact OD2-NH2 3.98Å; D264-R266 PolarHBondContact OD2-NH2 3.38Å; R266-G270 WeakPolarHBondContact CD-O 3.32Å; R266-G270 PolarHBondContact NH1-O 3.49Å; R266-K271 CarbonylContact C-O 3.48Å; R266-K271 WeakPolarHBondContact CA-O 3.22Å; R266-K271 WeakPolarHBondContact CB-O 3.5Å; R266-Y300 HydrophobicContact CG-CD2 4.33Å; R266-Y300 HydrophobicContact CG-CE2 4.35Å; R266-Y300 VanDerWaalsContact CZ-CE1 3.41Å; R266-Y300 VanDerWaalsContact NH2-CE1 3.31Å
267D93Very high96.6Very high10 Ų1037.4 Ų37.45%0.05320%0.202CC..  trans-68.7178.1176.573.216.6000112.3W189 T269 G270 K271 T273 S310W189-D267 HydrophobicContact CH2-CB 4.39Å; D267-T269 PolarHBondContact O-N 3.39Å; D267-T269 VanDerWaalsContact OD1-CA 3.29Å; D267-T269 WeakPolarHBondContact OD1-CA 3.27Å; D267-T269 WeakPolarHBondContact OD1-CB 2.95Å; D267-T269 PolarHBondContact OD1-N 2.63Å; D267-T269 PolarHBondContact OD1-OG1 3.43Å; D267-T269 PolarHBondContact OD2-OG1 3.31Å; D267-G270 PolarHBondContact O-N 3.12Å; D267-G270 PolarHBondContact OD1-N 3.32Å; D267-K271 PolarHBondContact N-O 3.06Å; D267-K271 PolarHBondContact OD1-N 2.95Å; D267-K271 WeakPolarHBondContact OD2-CB 3.47Å; D267-T273 HydrophobicContact CB-CG2 4.38Å; D267-S310 VanDerWaalsContact CB-OG 3.28Å; D267-S310 WeakPolarHBondContact CB-OG 3.43Å; D267-S310 VanDerWaalsContact CG-OG 3.31Å; D267-S310 WeakPolarHBondContact OD2-CB 3.38Å; D267-S310 PolarHBondContact OD2-OG 3.1Å
268T91.8Very high96.4Very high97 Ų9733.6 Ų33.660%0.59518%0.183SC*.THydrogen-bonded Turntrans-66.9-9.7-177.371.80000113.6W189 Y343W189-T268 HydrophobicContact CH2-CG2 4.11Å; W189-T268 HydrophobicContact CZ2-CG2 4.07Å; T268-Y343 PolarHBondContact N-OH 2.9Å; T268-Y343 PolarHBondContact OG1-OH 3.04Å
269T91.3Very high96.2Very high89 Ų8934.2 Ų34.255%0.54619%0.187SC..THydrogen-bonded Turntrans-100.11.1173.970.70000112.7D267 Y343D267-T269 PolarHBondContact O-N 3.39Å; D267-T269 VanDerWaalsContact OD1-CA 3.29Å; D267-T269 WeakPolarHBondContact OD1-CA 3.27Å; D267-T269 WeakPolarHBondContact OD1-CB 2.95Å; D267-T269 PolarHBondContact OD1-N 2.63Å; D267-T269 PolarHBondContact OD1-OG1 3.43Å; D267-T269 PolarHBondContact OD2-OG1 3.31Å; T269-Y343 HydrophobicContact CG2-CE2 4.44Å
270G93.4Very high95.9Very high33 Ų3332.4 Ų32.434%0.3418%0.175SC..SBendtrans80.918.717900000114.4R266 D267R266-G270 WeakPolarHBondContact CD-O 3.32Å; R266-G270 PolarHBondContact NH1-O 3.49Å; D267-G270 PolarHBondContact O-N 3.12Å; D267-G270 PolarHBondContact OD1-N 3.32Å
271K94.9Very high95.6Very high65 Ų6532.5 Ų32.528%0.28318%0.175SC..  trans-85.5147.6174.8-62.4177.8174.3-172.30112R266 D267R266-K271 CarbonylContact C-O 3.48Å; R266-K271 WeakPolarHBondContact CA-O 3.22Å; R266-K271 WeakPolarHBondContact CB-O 3.5Å; D267-K271 PolarHBondContact N-O 3.06Å; D267-K271 PolarHBondContact OD1-N 2.95Å; D267-K271 WeakPolarHBondContact OD2-CB 3.47Å
272E96.4Very high95.4Very high13 Ų1326.8 Ų26.86%0.06115%0.149CC..BIsolated β-bridgetrans-64.8141.6177.2-65.6-70171.500111.5R204 H275 Y300 S310R204-E272 IonicContact CZ-OE2 3.02Å; R204-E272 IonicContact NE-OE2 3.84Å; R204-E272 VanDerWaalsContact NH1-CG 3.35Å; R204-E272 IonicContact NH1-OE2 2.76Å; E272-H275 PolarHBondContact O-CE1 3.03Å; E272-H275 PolarHBondContact O-NE2 2.9Å; E272-Y300 WeakPolarHBondContact OE1-CD2 3.48Å; E272-S310 WeakPolarHBondContact O-CB 3.4Å; E272-S310 PolarHBondContact O-N 3.27Å
273T97.6Very high95.1Very high0 Ų030.5 Ų30.50%017%0.168CC..  trans-115.5-28.8178.456.10000112.1S265 D267 H275 A313 V314 S315S265-T273 VanDerWaalsContact O-CG2 3.3Å; S265-T273 WeakPolarHBondContact O-CG2 3.06Å; S265-T273 PolarHBondContact O-OG1 3.35Å; D267-T273 HydrophobicContact CB-CG2 4.38Å; T273-H275 PolarHBondContact O-CD2 3.08Å; T273-A313 CarbonylContact O-C 3.52Å; T273-V314 WeakPolarHBondContact O-CA 3.49Å; T273-V314 PolarHBondContact O-N 2.76Å; T273-S315 PolarHBondContact O-N 2.9Å
274F98.6Very high94.8Very high1 Ų133.4 Ų33.40%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-102.1126.3174.9-69.9-103.3000109.5L187 L190 R204 A219 G220 V314 S315L187-F274 HydrophobicContact CD1-CZ 3.91Å; L190-F274 HydrophobicContact CD1-CE2 4.06Å; R204-F274 HydrophobicContact CB-CB 3.77Å; R204-F274 WeakPolarHBondContact CD-O 3.1Å; R204-F274 PolarHBondContact NH1-O 3.49Å; A219-F274 HydrophobicContact CB-CB 4.19Å; G220-F274 WeakPolarHBondContact O-CD1 3.43Å; F274-V314 HydrophobicContact CD1-CG1 4.06Å; F274-V314 HydrophobicContact CD2-CB 4.24Å; F274-V314 HydrophobicContact CD2-CG1 4.44Å; F274-V314 HydrophobicContact CE1-CB 4.35Å; F274-V314 HydrophobicContact CE1-CG1 3.55Å; F274-V314 HydrophobicContact CE2-CB 4.05Å; F274-V314 HydrophobicContact CE2-CG1 3.96Å; F274-V314 HydrophobicContact CE2-CG2 4.17Å; F274-V314 HydrophobicContact CG-CB 4.47Å; F274-V314 HydrophobicContact CG-CG1 4.48Å; F274-V314 HydrophobicContact CZ-CB 4.12Å; F274-V314 HydrophobicContact CZ-CG1 3.51Å; F274-V314 HydrophobicContact CZ-CG2 4.45Å; F274-S315 VanDerWaalsContact CD1-OG 3.23Å; F274-S315 WeakPolarHBondContact CD1-OG 3.19Å
275H97.8Very high94.5Very high1 Ų135 Ų351%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-120123-173-59.9-79.5000111.6E272 T273 F277 C309 S315 F316 H317E272-H275 PolarHBondContact O-CE1 3.03Å; E272-H275 PolarHBondContact O-NE2 2.9Å; T273-H275 PolarHBondContact O-CD2 3.08Å; H275-F277 PolarHBondContact O-N 2.84Å; H275-F277 VanDerWaalsContact O-N 3.17Å; H275-C309 PolarHBondContact CE1-SG 2.97Å; H275-S315 VanDerWaalsContact CB-O 3.23Å; H275-S315 WeakPolarHBondContact CB-O 3.3Å; H275-S315 PolarHBondContact CD2-O 2.67Å; H275-S315 VanDerWaalsContact CD2-O 3.32Å; H275-S315 PolarHBondContact N-O 3.16Å; H275-F316 HydrophobicContact CB-CD1 3.55Å; H275-F316 HydrophobicContact CB-CE1 3.82Å; H275-F316 HydrophobicContact CB-CG 4.29Å; H275-F316 AromaticContact CD2-CD1 3.98Å; H275-F316 AromaticContact CD2-CE1 3.44Å; H275-F316 VanDerWaalsContact CD2-CE1 3.44Å; H275-F316 WeakPolarHBondContact CD2-CE1 3.44Å; H275-F316 AromaticContact CD2-CZ 3.64Å; H275-F316 AromaticContact CG-CD1 3.89Å; H275-F316 AromaticContact CG-CE1 3.61Å; H275-H317 PolarHBondContact O-N 3.03Å; H275-H317 VanDerWaalsContact O-N 3.13Å
276P96.6Very high94Very high4 Ų436 Ų363%0.02620%0.196CC..SBendtrans-81.19.4-175.133.9-34.8000113.6R204 F206 A219 Y294R204-P276 HydrophobicContact CG-CG 4.24Å; F206-P276 HydrophobicContact CZ-CB 4.1Å; F206-P276 HydrophobicContact CZ-CG 4.18Å; A219-P276 HydrophobicContact CB-CB 4.45Å; P276-Y294 HydrophobicContact CG-CD2 4.19Å; P276-Y294 HydrophobicContact CG-CE2 3.76Å
277F95.9Very high93.7Very high1 Ų133.1 Ų33.10%0.00419%0.186CC..SBendtrans-149.4169.4178.9-51-69000110.6P54 H55 H275 H281 H282 L288 F292 W293 Y294 H317 Y318P54-F277 HydrophobicContact CB-CD1 4.14Å; P54-F277 HydrophobicContact CB-CE1 4.16Å; H55-F277 AromaticContact CE1-CE1 3.91Å; H275-F277 PolarHBondContact O-N 2.84Å; H275-F277 VanDerWaalsContact O-N 3.17Å; F277-H281 HydrophobicContact CB-CB 3.78Å; F277-H281 WeakPolarHBondContact CB-ND1 3.29Å; F277-H281 HydrophobicContact CG-CB 4.4Å; F277-H281 AromaticContact CG-ND1 3.89Å; F277-H282 AromaticContact CD2-CE1 3.76Å; F277-H282 AromaticContact CD2-NE2 3.9Å; F277-H282 PolarHBondContact O-NE2 3.47Å; F277-L288 HydrophobicContact CD2-CD1 4Å; F277-L288 HydrophobicContact CE2-CD1 3.99Å; F277-F292 HydrophobicContact CE1-CE1 4.1Å; F277-F292 HydrophobicContact CE1-CZ 4.29Å; F277-F292 HydrophobicContact CE2-CE1 4.06Å; F277-F292 AromaticContact CZ-CE1 3.51Å; F277-F292 HydrophobicContact CZ-CE1 3.51Å; F277-F292 HydrophobicContact CZ-CZ 4.06Å; F277-W293 HydrophobicContact CE1-CZ2 4.25Å; F277-W293 HydrophobicContact CZ-CH2 4.08Å; F277-W293 AromaticContact CZ-CZ2 3.63Å; F277-W293 HydrophobicContact CZ-CZ2 3.63Å; F277-Y294 HydrophobicContact CE2-CD1 4.33Å; F277-Y294 AromaticContact CE2-CD2 3.59Å; F277-Y294 HydrophobicContact CE2-CD2 3.59Å; F277-Y294 HydrophobicContact CE2-CE2 4.03Å; F277-Y294 AromaticContact CE2-CG 3.73Å; F277-Y294 HydrophobicContact CE2-CG 3.73Å; F277-Y294 HydrophobicContact CZ-CD2 4.36Å; F277-Y294 HydrophobicContact CZ-CG 4.45Å; F277-H317 CarbonylContact C-O 3.59Å; F277-H317 WeakPolarHBondContact CA-O 3.33Å; F277-Y318 AromaticContact CD1-CD2 3.89Å; F277-Y318 HydrophobicContact CD1-CD2 3.89Å; F277-Y318 AromaticContact CD1-CE2 3.87Å; F277-Y318 HydrophobicContact CD1-CE2 3.87Å; F277-Y318 HydrophobicContact CE1-CE2 4.11Å
278V94.5Very high93.5Very high4 Ų432.8 Ų32.82%0.02418%0.184CC..  trans-57.5155173.8-70.40000112.2E280 H281 H282 H317 Y318 V319V278-E280 VanDerWaalsContact C-N 3.3Å; V278-E280 HydrophobicContact CB-CG 4.36Å; V278-E280 HydrophobicContact CG2-CG 3.62Å; V278-E280 PolarHBondContact O-N 2.59Å; V278-H281 HydrophobicContact CG2-CB 4.47Å; V278-H281 PolarHBondContact O-N 3.21Å; V278-H281 VanDerWaalsContact O-N 3.14Å; V278-H282 PolarHBondContact O-CD2 3.3Å; V278-H317 WeakPolarHBondContact CG1-O 3.15Å; V278-H317 PolarHBondContact N-O 2.65Å; V278-Y318 WeakPolarHBondContact CG1-O 3.28Å; V278-V319 HydrophobicContact CG1-CG2 4.4Å
279P94.7Very high93.4Very high22 Ų2230.6 Ų30.614%0.14317%0.171CC..THydrogen-bonded Turntrans-53.4-42.1-174.7-27.132.9000114.5H281 H282 L283 F316 L327P279-H281 VanDerWaalsContact C-N 3.25Å; P279-H281 PolarHBondContact O-N 2.97Å; P279-H282 PolarHBondContact O-N 3.04Å; P279-L283 HydrophobicContact CB-CD1 3.84Å; P279-L283 WeakPolarHBondContact O-CB 3.37Å; P279-L283 VanDerWaalsContact O-CG 3.31Å; P279-L283 WeakPolarHBondContact O-CG 3.19Å; P279-L283 PolarHBondContact O-N 3.39Å; P279-F316 HydrophobicContact CB-CD1 4.29Å; P279-F316 HydrophobicContact CB-CE1 4.22Å; P279-F316 HydrophobicContact CG-CD1 3.83Å; P279-F316 HydrophobicContact CG-CD2 4.39Å; P279-F316 HydrophobicContact CG-CE1 4.13Å; P279-F316 HydrophobicContact CG-CG 3.99Å; P279-L327 HydrophobicContact CG-CD2 4.07Å
280E92.1Very high93.3Very high85 Ų8533.9 Ų33.940%0.39717%0.174SC..Hα-helixtrans-58.6-32.5-178.458.3-172.5-120.400113.7V278 H282 I284 Y287V278-E280 VanDerWaalsContact C-N 3.3Å; V278-E280 HydrophobicContact CB-CG 4.36Å; V278-E280 HydrophobicContact CG2-CG 3.62Å; V278-E280 PolarHBondContact O-N 2.59Å; E280-H282 PolarHBondContact O-N 3.44Å; E280-I284 HydrophobicContact CB-CD1 4.09Å; E280-I284 WeakPolarHBondContact O-CB 3.48Å; E280-I284 PolarHBondContact O-N 3.32Å; E280-I284 VanDerWaalsContact O-N 3.16Å; E280-Y287 HydrophobicContact CB-CE2 4.23Å; E280-Y287 HydrophobicContact CG-CE2 4.11Å; E280-Y287 PolarHBondContact OE1-OH 3Å
281H92.3Very high93.1Very high3 Ų338.5 Ų38.51%0.01420%0.196CC..Hα-helixtrans-69.4-18177.9-67.4-179.4000113.2F277 V278 P279 Y287 L288F277-H281 HydrophobicContact CB-CB 3.78Å; F277-H281 WeakPolarHBondContact CB-ND1 3.29Å; F277-H281 HydrophobicContact CG-CB 4.4Å; F277-H281 AromaticContact CG-ND1 3.89Å; V278-H281 HydrophobicContact CG2-CB 4.47Å; V278-H281 PolarHBondContact O-N 3.21Å; V278-H281 VanDerWaalsContact O-N 3.14Å; P279-H281 VanDerWaalsContact C-N 3.25Å; P279-H281 PolarHBondContact O-N 2.97Å; H281-Y287 AromaticContact CD2-CD1 3.35Å; H281-Y287 WeakPolarHBondContact CD2-CD1 3.29Å; H281-Y287 AromaticContact CD2-CE1 2.98Å; H281-Y287 WeakPolarHBondContact CD2-CE1 3.44Å; H281-Y287 AromaticContact CD2-CE2 4Å; H281-Y287 AromaticContact CD2-CZ 3.32Å; H281-Y287 AromaticContact NE2-CD1 3.97Å; H281-Y287 AromaticContact NE2-CE1 3.17Å; H281-Y287 WeakPolarHBondContact NE2-CE1 3.2Å; H281-Y287 AromaticContact NE2-CZ 3.48Å; H281-Y287 PolarHBondContact NE2-OH 2.94Å; H281-L288 HydrophobicContact CB-CD1 4.28Å; H281-L288 HydrophobicContact CB-CD2 4.32Å; H281-L288 HydrophobicContact CB-CG 4.23Å
282H93.6Very high93Very high4 Ų436.7 Ų36.72%0.01919%0.188CC..Hα-helixtrans-103.9-40.1177.7-57.2-77.8000111.8F277 V278 P279 E280 Y294 G305 C308 C309F277-H282 AromaticContact CD2-CE1 3.76Å; F277-H282 AromaticContact CD2-NE2 3.9Å; F277-H282 PolarHBondContact O-NE2 3.47Å; V278-H282 PolarHBondContact O-CD2 3.3Å; P279-H282 PolarHBondContact O-N 3.04Å; E280-H282 PolarHBondContact O-N 3.44Å; H282-Y294 PolarHBondContact CE1-OH 3.3Å; H282-Y294 PolarHBondContact ND1-OH 2.95Å; H282-G305 PolarHBondContact O-N 2.72Å; H282-C308 HydrophobicContact CB-CB 4.23Å; H282-C308 VanDerWaalsContact CB-SG 3.57Å; H282-C309 VanDerWaalsContact CB-SG 3.57Å
283L92.9Very high92.8Very high79 Ų7939.7 Ų39.741%0.41420%0.199SC..Hα-helixtrans-77.9-24.3-173.3-66.7172000113.6P279 G305P279-L283 HydrophobicContact CB-CD1 3.84Å; P279-L283 WeakPolarHBondContact O-CB 3.37Å; P279-L283 VanDerWaalsContact O-CG 3.31Å; P279-L283 WeakPolarHBondContact O-CG 3.19Å; P279-L283 PolarHBondContact O-N 3.39Å; L283-G305 CarbonylContact O-C 3.5Å; L283-G305 VanDerWaalsContact O-CA 3.26Å; L283-G305 WeakPolarHBondContact O-CA 3.49Å
284I91.6Very high92.5Very high63 Ų6339.9 Ų39.932%0.32320%0.199SC..SBendtrans-101.2114.3-178.9-57.5176.8000109.1P47 V49 E280 G286 Y287P47-I284 HydrophobicContact CG-CG2 3.67Å; V49-I284 HydrophobicContact CG2-CG2 4.07Å; E280-I284 HydrophobicContact CB-CD1 4.09Å; E280-I284 WeakPolarHBondContact O-CB 3.48Å; E280-I284 PolarHBondContact O-N 3.32Å; E280-I284 VanDerWaalsContact O-N 3.16Å; I284-G286 PolarHBondContact O-N 3.27Å; I284-Y287 HydrophobicContact CB-CD2 4.04Å; I284-Y287 HydrophobicContact CD1-CD2 4.06Å; I284-Y287 HydrophobicContact CD1-CE2 4.41Å; I284-Y287 HydrophobicContact CG2-CD2 4.27Å; I284-Y287 WeakPolarHBondContact O-CB 3.33Å; I284-Y287 PolarHBondContact O-N 3.33Å
285K90.6Very high92.3Very high90 Ų9041.3 Ų41.339%0.39121%0.205SC..THydrogen-bonded Turntrans-62.5130.3179.7-172.5178.5177-170.40110.5D44 Y287D44-K285 WeakPolarHBondContact OD1-CD 3.13Å; D44-K285 VanDerWaalsContact OD1-CE 3.31Å; D44-K285 WeakPolarHBondContact OD1-CE 3.5Å; D44-K285 IonicContact OD1-NZ 3.94Å; D44-K285 PolarHBondContact OD1-NZ 3.5Å; D44-K285 WeakPolarHBondContact OD2-CE 3.4Å; D44-K285 IonicContact OD2-NZ 3.86Å; D44-K285 PolarHBondContact OD2-NZ 3.35Å; K285-Y287 VanDerWaalsContact C-N 3.28Å; K285-Y287 PolarHBondContact O-N 2.72Å
286G88.6Confident92.1Very high21 Ų2147.2 Ų47.222%0.21624%0.236CC..THydrogen-bonded Turntrans77.89.2179.200000114.5I284 E304I284-G286 PolarHBondContact O-N 3.27Å; G286-E304 PolarHBondContact N-OE1 2.9Å
287Y89.2Confident92.1Very high11 Ų1149.8 Ų49.84%0.04325%0.246CC..SBendtrans-61.9-48.8173.8-164.6-65.2000110.9V49 H51 E280 H281 I284 K285V49-Y287 HydrophobicContact CG1-CD1 4.35Å; V49-Y287 HydrophobicContact CG1-CD2 3.49Å; V49-Y287 VanDerWaalsContact CG1-CD2 3.49Å; V49-Y287 HydrophobicContact CG1-CE1 4.32Å; V49-Y287 HydrophobicContact CG1-CE2 3.54Å; V49-Y287 HydrophobicContact CG1-CG 3.94Å; V49-Y287 HydrophobicContact CG2-CD2 4.43Å; H51-Y287 PolarHBondContact CE1-O 2.69Å; H51-Y287 PolarHBondContact ND1-O 3.2Å; E280-Y287 HydrophobicContact CB-CE2 4.23Å; E280-Y287 HydrophobicContact CG-CE2 4.11Å; E280-Y287 PolarHBondContact OE1-OH 3Å; H281-Y287 AromaticContact CD2-CD1 3.35Å; H281-Y287 WeakPolarHBondContact CD2-CD1 3.29Å; H281-Y287 AromaticContact CD2-CE1 2.98Å; H281-Y287 WeakPolarHBondContact CD2-CE1 3.44Å; H281-Y287 AromaticContact CD2-CE2 4Å; H281-Y287 AromaticContact CD2-CZ 3.32Å; H281-Y287 AromaticContact NE2-CD1 3.97Å; H281-Y287 AromaticContact NE2-CE1 3.17Å; H281-Y287 WeakPolarHBondContact NE2-CE1 3.2Å; H281-Y287 AromaticContact NE2-CZ 3.48Å; H281-Y287 PolarHBondContact NE2-OH 2.94Å; I284-Y287 HydrophobicContact CB-CD2 4.04Å; I284-Y287 HydrophobicContact CD1-CD2 4.06Å; I284-Y287 HydrophobicContact CD1-CE2 4.41Å; I284-Y287 HydrophobicContact CG2-CD2 4.27Å; I284-Y287 WeakPolarHBondContact O-CB 3.33Å; I284-Y287 PolarHBondContact O-N 3.33Å; K285-Y287 VanDerWaalsContact C-N 3.28Å; K285-Y287 PolarHBondContact O-N 2.72Å
288L89.1Confident92.1Very high3 Ų350.3 Ų50.32%0.01625%0.249CC..SBendtrans-88.7128.1177.3-64.4176.8000110.2P54 F277 H281 F292 Y294 W295P54-L288 HydrophobicContact CB-CD2 3.75Å; P54-L288 HydrophobicContact CG-CD2 3.85Å; F277-L288 HydrophobicContact CD2-CD1 4Å; F277-L288 HydrophobicContact CE2-CD1 3.99Å; H281-L288 HydrophobicContact CB-CD1 4.28Å; H281-L288 HydrophobicContact CB-CD2 4.32Å; H281-L288 HydrophobicContact CB-CG 4.23Å; L288-F292 HydrophobicContact CB-CD1 4.32Å; L288-F292 HydrophobicContact CD1-CD1 4.14Å; L288-F292 HydrophobicContact CD1-CE1 4.29Å; L288-F292 HydrophobicContact CD2-CD1 4.06Å; L288-F292 HydrophobicContact CD2-CE1 4.03Å; L288-F292 HydrophobicContact CG-CD1 4.42Å; L288-Y294 HydrophobicContact CD1-CD1 3.84Å; L288-Y294 HydrophobicContact CD1-CE1 4.18Å; L288-Y294 HydrophobicContact CD1-CG 4.46Å; L288-W295 HydrophobicContact CB-CZ2 3.81Å
289P90.1Very high92.2Very high50 Ų5054.4 Ų54.433%0.32526%0.264SS..  trans-63.5143.5-179.323.3-29.8000110.4T291 F292 W295P289-T291 PolarHBondContact O-N 3.17Å; P289-F292 HydrophobicContact CG-CB 4.13Å; P289-F292 WeakPolarHBondContact O-CB 3.41Å; P289-F292 PolarHBondContact O-N 2.78Å; P289-W295 VanDerWaalsContact O-CD1 3.32Å; P289-W295 PolarHBondContact O-NE1 3.14Å
290R88.8Confident92.3Very high158 Ų15854.7 Ų54.760%0.59626%0.263SS*.THydrogen-bonded Turntrans-60.6-19.8-179.3-71.5-62.5-169.5-150.7-8.7114.5F292 W295 E304R290-F292 VanDerWaalsContact C-N 3.27Å; R290-W295 VanDerWaalsContact O-CD1 3.26Å; R290-E304 IonicContact CZ-OE2 2.66Å; R290-E304 IonicContact NH1-OE1 2.61Å; R290-E304 IonicContact NH1-OE2 2.81Å; R290-E304 PolarHBondContact NH1-OE2 3.01Å; R290-E304 IonicContact NH2-OE2 2.71Å; R290-E304 PolarHBondContact NH2-OE2 3.27Å
291T89.8Confident92.4Very high131 Ų13156.1 Ų56.180%0.80428%0.279SS*.THydrogen-bonded Turntrans-78.9-9.6174.251.70000113.3P289P289-T291 PolarHBondContact O-N 3.17Å
292F92.3Very high92.3Very high27 Ų2758 Ų5812%0.11829%0.292CS..SBendtrans-66.7140.8-178.3-165.6-129.8000111.5P54 H55 F277 L288 P289 R290 Y294 W295P54-F292 HydrophobicContact CB-CE1 4.28Å; P54-F292 HydrophobicContact CB-CZ 4.02Å; P54-F292 HydrophobicContact CG-CD2 4.44Å; P54-F292 HydrophobicContact CG-CE1 3.72Å; P54-F292 HydrophobicContact CG-CE2 3.6Å; P54-F292 HydrophobicContact CG-CZ 3.19Å; H55-F292 AromaticContact CD2-CE2 3.9Å; H55-F292 AromaticContact CD2-CZ 3.73Å; H55-F292 AromaticContact NE2-CE2 3.78Å; H55-F292 AromaticContact NE2-CZ 3.32Å; H55-F292 VanDerWaalsContact NE2-CZ 3.32Å; H55-F292 WeakPolarHBondContact NE2-CZ 3.49Å; F277-F292 HydrophobicContact CE1-CE1 4.1Å; F277-F292 HydrophobicContact CE1-CZ 4.29Å; F277-F292 HydrophobicContact CE2-CE1 4.06Å; F277-F292 AromaticContact CZ-CE1 3.51Å; F277-F292 HydrophobicContact CZ-CE1 3.51Å; F277-F292 HydrophobicContact CZ-CZ 4.06Å; L288-F292 HydrophobicContact CB-CD1 4.32Å; L288-F292 HydrophobicContact CD1-CD1 4.14Å; L288-F292 HydrophobicContact CD1-CE1 4.29Å; L288-F292 HydrophobicContact CD2-CD1 4.06Å; L288-F292 HydrophobicContact CD2-CE1 4.03Å; L288-F292 HydrophobicContact CG-CD1 4.42Å; P289-F292 HydrophobicContact CG-CB 4.13Å; P289-F292 WeakPolarHBondContact O-CB 3.41Å; P289-F292 PolarHBondContact O-N 2.78Å; R290-F292 VanDerWaalsContact C-N 3.27Å; F292-Y294 PolarHBondContact O-N 3.1Å; F292-Y294 VanDerWaalsContact O-N 3.09Å; F292-W295 VanDerWaalsContact O-CD1 3.22Å; F292-W295 PolarHBondContact O-N 2.82Å
293W91.9Very high92.2Very high76 Ų7661.9 Ų61.929%0.28832%0.316SS..THydrogen-bonded Turntrans-57.6-31.3-173.264.8-94.5000112.8H55 F206 F277 W295 N296 Y297H55-W293 AromaticContact CD2-NE1 3.87Å; H55-W293 AromaticContact CE1-CE2 3.92Å; H55-W293 AromaticContact CE1-CZ2 3.61Å; H55-W293 AromaticContact CE1-NE1 3.64Å; H55-W293 AromaticContact NE2-CD1 3.89Å; H55-W293 AromaticContact NE2-CE2 3.49Å; H55-W293 AromaticContact NE2-CZ2 3.67Å; H55-W293 AromaticContact NE2-NE1 2.78Å; H55-W293 PolarHBondContact NE2-NE1 3.42Å; F206-W293 HydrophobicContact CE1-CZ3 4.3Å; F206-W293 HydrophobicContact CE2-CH2 4.09Å; F206-W293 HydrophobicContact CE2-CZ3 4.06Å; F206-W293 AromaticContact CZ-CH2 3.79Å; F206-W293 HydrophobicContact CZ-CH2 3.79Å; F206-W293 AromaticContact CZ-CZ3 3.82Å; F206-W293 HydrophobicContact CZ-CZ3 3.82Å; F277-W293 HydrophobicContact CE1-CZ2 4.25Å; F277-W293 HydrophobicContact CZ-CH2 4.08Å; F277-W293 AromaticContact CZ-CZ2 3.63Å; F277-W293 HydrophobicContact CZ-CZ2 3.63Å; W293-W295 PolarHBondContact O-N 3.21Å; W293-W295 VanDerWaalsContact O-N 3.16Å; W293-N296 PolarHBondContact O-N 3.39Å; W293-Y297 HydrophobicContact CB-CD2 4.35Å; W293-Y297 HydrophobicContact CB-CE2 4.19Å; W293-Y297 AromaticContact CE3-CD1 3.57Å; W293-Y297 HydrophobicContact CE3-CD1 3.57Å; W293-Y297 AromaticContact CE3-CD2 3.6Å; W293-Y297 HydrophobicContact CE3-CD2 3.6Å; W293-Y297 HydrophobicContact CE3-CE1 4.04Å; W293-Y297 HydrophobicContact CE3-CE2 4.06Å; W293-Y297 AromaticContact CE3-CG 3.32Å; W293-Y297 HydrophobicContact CE3-CG 3.32Å; W293-Y297 AromaticContact CZ3-CD1 3.61Å; W293-Y297 HydrophobicContact CZ3-CD1 3.61Å; W293-Y297 HydrophobicContact CZ3-CD2 4.36Å; W293-Y297 HydrophobicContact CZ3-CE1 4.32Å; W293-Y297 AromaticContact CZ3-CG 3.63Å; W293-Y297 HydrophobicContact CZ3-CG 3.63Å; W293-Y297 VanDerWaalsContact O-CD2 3.29Å; W293-Y297 WeakPolarHBondContact O-CD2 3.16Å; W293-Y297 PolarHBondContact O-N 3.27Å
294Y92.6Very high92.1Very high4 Ų459.5 Ų59.52%0.01630%0.303CS..Hα-helixtrans-47.7-46.7-177.5168.6-116.3000111.9R204 P276 F277 H282 L288 F292 N296 Y297 N298 P302R204-Y294 PolarHBondContact NH2-OH 2.92Å; P276-Y294 HydrophobicContact CG-CD2 4.19Å; P276-Y294 HydrophobicContact CG-CE2 3.76Å; F277-Y294 HydrophobicContact CE2-CD1 4.33Å; F277-Y294 AromaticContact CE2-CD2 3.59Å; F277-Y294 HydrophobicContact CE2-CD2 3.59Å; F277-Y294 HydrophobicContact CE2-CE2 4.03Å; F277-Y294 AromaticContact CE2-CG 3.73Å; F277-Y294 HydrophobicContact CE2-CG 3.73Å; F277-Y294 HydrophobicContact CZ-CD2 4.36Å; F277-Y294 HydrophobicContact CZ-CG 4.45Å; H282-Y294 PolarHBondContact CE1-OH 3.3Å; H282-Y294 PolarHBondContact ND1-OH 2.95Å; L288-Y294 HydrophobicContact CD1-CD1 3.84Å; L288-Y294 HydrophobicContact CD1-CE1 4.18Å; L288-Y294 HydrophobicContact CD1-CG 4.46Å; F292-Y294 PolarHBondContact O-N 3.1Å; F292-Y294 VanDerWaalsContact O-N 3.09Å; Y294-N296 PolarHBondContact O-N 2.78Å; Y294-N296 VanDerWaalsContact O-N 3.1Å; Y294-Y297 PolarHBondContact O-N 3.31Å; Y294-N298 WeakPolarHBondContact CD2-ND2 3.42Å; Y294-N298 VanDerWaalsContact CE2-ND2 3.35Å; Y294-N298 WeakPolarHBondContact CE2-ND2 3.28Å; Y294-N298 VanDerWaalsContact CE2-OD1 3.26Å; Y294-N298 WeakPolarHBondContact CE2-OD1 3.5Å; Y294-N298 PolarHBondContact O-N 2.86Å; Y294-N298 PolarHBondContact O-ND2 3.09Å; Y294-P302 HydrophobicContact CE1-CB 4.49Å
295W93.2Very high92.1Very high31 Ų3156.7 Ų56.712%0.11729%0.289CS..Hα-helixtrans-56.3-32.8-178.1-57.5115.3000113.5L288 P289 R290 F292 W293 P302 E304L288-W295 HydrophobicContact CB-CZ2 3.81Å; P289-W295 VanDerWaalsContact O-CD1 3.32Å; P289-W295 PolarHBondContact O-NE1 3.14Å; R290-W295 VanDerWaalsContact O-CD1 3.26Å; F292-W295 VanDerWaalsContact O-CD1 3.22Å; F292-W295 PolarHBondContact O-N 2.82Å; W293-W295 PolarHBondContact O-N 3.21Å; W293-W295 VanDerWaalsContact O-N 3.16Å; W295-P302 HydrophobicContact CE3-CB 4.02Å; W295-P302 HydrophobicContact CE3-CG 3.56Å; W295-P302 HydrophobicContact CZ3-CB 3.87Å; W295-P302 HydrophobicContact CZ3-CG 3.9Å; W295-E304 HydrophobicContact CH2-CG 3.23Å; W295-E304 WeakPolarHBondContact CH2-OE1 3.29Å; W295-E304 HydrophobicContact CZ2-CG 4.18Å; W295-E304 WeakPolarHBondContact CZ2-OE1 3.5Å; W295-E304 HydrophobicContact CZ3-CG 3.82Å
296N94.6Very high92.1Very high125 Ų12558.1 Ų58.167%0.66831%0.307SS*.Hα-helixtrans-92.1-12.2-178.4-63.3-52.9000113.6W293 Y294W293-N296 PolarHBondContact O-N 3.39Å; Y294-N296 PolarHBondContact O-N 2.78Å; Y294-N296 VanDerWaalsContact O-N 3.1Å
297Y95.7Very high92.1Very high58 Ų5858.8 Ų58.823%0.22731%0.314CS..Hα-helixtrans-92.3-25.1-176.7-88.4-128.9000112.9F206 K207 P208 Y209 W293 Y294 Y299F206-Y297 CarbonylContact C-O 3.53Å; F206-Y297 WeakPolarHBondContact CA-O 3.26Å; F206-Y297 WeakPolarHBondContact CB-O 3.35Å; F206-Y297 HydrophobicContact CD2-CD1 4.3Å; F206-Y297 HydrophobicContact CG-CD1 4.38Å; K207-Y297 PolarHBondContact N-O 3.37Å; P208-Y297 WeakPolarHBondContact CD-O 3.5Å; P208-Y297 HydrophobicContact CG-CD1 4.08Å; P208-Y297 HydrophobicContact CG-CD2 3.94Å; P208-Y297 HydrophobicContact CG-CE1 4.36Å; P208-Y297 HydrophobicContact CG-CE2 4.23Å; P208-Y297 HydrophobicContact CG-CG 3.86Å; Y209-Y297 HydrophobicContact CE2-CE1 4.24Å; Y209-Y297 PolarHBondContact OH-OH 2.81Å; W293-Y297 HydrophobicContact CB-CD2 4.35Å; W293-Y297 HydrophobicContact CB-CE2 4.19Å; W293-Y297 AromaticContact CE3-CD1 3.57Å; W293-Y297 HydrophobicContact CE3-CD1 3.57Å; W293-Y297 AromaticContact CE3-CD2 3.6Å; W293-Y297 HydrophobicContact CE3-CD2 3.6Å; W293-Y297 HydrophobicContact CE3-CE1 4.04Å; W293-Y297 HydrophobicContact CE3-CE2 4.06Å; W293-Y297 AromaticContact CE3-CG 3.32Å; W293-Y297 HydrophobicContact CE3-CG 3.32Å; W293-Y297 AromaticContact CZ3-CD1 3.61Å; W293-Y297 HydrophobicContact CZ3-CD1 3.61Å; W293-Y297 HydrophobicContact CZ3-CD2 4.36Å; W293-Y297 HydrophobicContact CZ3-CE1 4.32Å; W293-Y297 AromaticContact CZ3-CG 3.63Å; W293-Y297 HydrophobicContact CZ3-CG 3.63Å; W293-Y297 VanDerWaalsContact O-CD2 3.29Å; W293-Y297 WeakPolarHBondContact O-CD2 3.16Å; W293-Y297 PolarHBondContact O-N 3.27Å; Y294-Y297 PolarHBondContact O-N 3.31Å; Y297-Y299 PolarHBondContact O-N 3.31Å
298N95.9Very high92.1Very high12 Ų1258.7 Ų58.76%0.06432%0.315CS..BIsolated β-bridgetrans-60.7132.7-177.3-67.7-65.2000112.3R204 Y294 Y300 P302R204-N298 PolarHBondContact NE-OD1 3.4Å; R204-N298 PolarHBondContact NH2-OD1 3.48Å; Y294-N298 WeakPolarHBondContact CD2-ND2 3.42Å; Y294-N298 VanDerWaalsContact CE2-ND2 3.35Å; Y294-N298 WeakPolarHBondContact CE2-ND2 3.28Å; Y294-N298 VanDerWaalsContact CE2-OD1 3.26Å; Y294-N298 WeakPolarHBondContact CE2-OD1 3.5Å; Y294-N298 PolarHBondContact O-N 2.86Å; Y294-N298 PolarHBondContact O-ND2 3.09Å; N298-Y300 VanDerWaalsContact CB-O 3.23Å; N298-Y300 WeakPolarHBondContact CB-O 3.17Å; N298-P302 HydrophobicContact CB-CB 4.34Å; N298-P302 HydrophobicContact CB-CG 4.33Å
299Y97.5Very high92.3Very high89 Ų8959.1 Ų59.135%0.34932%0.318SS..SBendtrans-71.3-42.4174.6-170-86.8000111.9R205 K207 Y297R205-Y299 HydrophobicContact CB-CG 4.48Å; R205-Y299 HydrophobicContact CG-CD2 4.15Å; R205-Y299 HydrophobicContact CG-CG 3.93Å; R205-Y299 VanDerWaalsContact O-CB 3.28Å; R205-Y299 WeakPolarHBondContact O-CB 3.29Å; R205-Y299 PolarHBondContact O-N 3.12Å; R205-Y299 VanDerWaalsContact O-N 3.1Å; K207-Y299 HydrophobicContact CB-CD2 4Å; K207-Y299 HydrophobicContact CG-CD2 4.2Å; Y297-Y299 PolarHBondContact O-N 3.31Å
300Y95.7Very high92.5Very high28 Ų2857 Ų5711%0.1131%0.305CS..SBendtrans-96151.3173-51.7-73.5000110.3R205 D264 R266 E272 N298 P302R205-Y300 HydrophobicContact CB-CE2 4.3Å; D264-Y300 PolarHBondContact OD1-OH 2.91Å; D264-Y300 PolarHBondContact OD2-OH 2.92Å; D264-Y300 VanDerWaalsContact OD2-OH 3.04Å; R266-Y300 HydrophobicContact CG-CD2 4.33Å; R266-Y300 HydrophobicContact CG-CE2 4.35Å; R266-Y300 VanDerWaalsContact CZ-CE1 3.41Å; R266-Y300 VanDerWaalsContact NH2-CE1 3.31Å; E272-Y300 WeakPolarHBondContact OE1-CD2 3.48Å; N298-Y300 VanDerWaalsContact CB-O 3.23Å; N298-Y300 WeakPolarHBondContact CB-O 3.17Å; Y300-P302 WeakPolarHBondContact O-CD 3.32Å; Y300-P302 VanDerWaalsContact O-N 3.16Å
301P93.6Very high92.7Very high115 Ų11553.6 Ų53.675%0.74730%0.298SS*.PPolyproline II helixtrans-56120.3176.3-25.735.3000111.1
302P91.4Very high92.9Very high42 Ų4248.4 Ų48.427%0.27327%0.265SS..PPolyproline II helixtrans-73.7140.5-176.930-34.5000111Y294 W295 N298 Y300Y294-P302 HydrophobicContact CE1-CB 4.49Å; W295-P302 HydrophobicContact CE3-CB 4.02Å; W295-P302 HydrophobicContact CE3-CG 3.56Å; W295-P302 HydrophobicContact CZ3-CB 3.87Å; W295-P302 HydrophobicContact CZ3-CG 3.9Å; N298-P302 HydrophobicContact CB-CB 4.34Å; N298-P302 HydrophobicContact CB-CG 4.33Å; Y300-P302 WeakPolarHBondContact O-CD 3.32Å; Y300-P302 VanDerWaalsContact O-N 3.16Å
303V92.3Very high93.1Very high86 Ų8647.5 Ų47.552%0.52126%0.263SS..  trans-114.4135.6175.71800000108.5C308V303-C308 WeakPolarHBondContact O-CA 3.45Å; V303-C308 WeakPolarHBondContact O-CB 3.06Å
304E90.4Very high93.4Very high30 Ų3043.9 Ų43.914%0.1425%0.249CC..  trans-105.4163.3175.4-76.1177.2123.300111.9G286 R290 W295G286-E304 PolarHBondContact N-OE1 2.9Å; R290-E304 IonicContact CZ-OE2 2.66Å; R290-E304 IonicContact NH1-OE1 2.61Å; R290-E304 IonicContact NH1-OE2 2.81Å; R290-E304 PolarHBondContact NH1-OE2 3.01Å; R290-E304 IonicContact NH2-OE2 2.71Å; R290-E304 PolarHBondContact NH2-OE2 3.27Å; W295-E304 HydrophobicContact CH2-CG 3.23Å; W295-E304 WeakPolarHBondContact CH2-OE1 3.29Å; W295-E304 HydrophobicContact CZ2-CG 4.18Å; W295-E304 WeakPolarHBondContact CZ2-OE1 3.5Å; W295-E304 HydrophobicContact CZ3-CG 3.82Å
305G92Very high93.7Very high3 Ų343.8 Ų43.83%0.03125%0.249CC..G310 helixtrans85.3-168.1174.900000111.7H282 L283 G307 C308H282-G305 PolarHBondContact O-N 2.72Å; L283-G305 CarbonylContact O-C 3.5Å; L283-G305 VanDerWaalsContact O-CA 3.26Å; L283-G305 WeakPolarHBondContact O-CA 3.49Å; G305-G307 PolarHBondContact O-N 3.22Å; G305-C308 VanDerWaalsContact O-CB 3.28Å; G305-C308 WeakPolarHBondContact O-CB 3.28Å; G305-C308 PolarHBondContact O-N 2.77Å; G305-C308 PolarHBondContact O-SG 3.38Å
306P89.3Confident94Very high120 Ų12043.2 Ų43.278%0.77925%0.248SC*.G310 helixtrans-57.9-14.5-179.5-27.335.9000115.2
307G89.5Confident94.1Very high35 Ų3537.8 Ų37.836%0.36122%0.218SC..G310 helixtrans-86.8-9.317500000115.3G305 C309G305-G307 PolarHBondContact O-N 3.22Å; G307-C309 VanDerWaalsContact C-N 3.28Å; G307-C309 PolarHBondContact O-N 3Å
308C88.5Confident94.1Very high9 Ų937.5 Ų37.56%0.06122%0.217CC..SBendtrans-59.7-38-172.6630000114.2H282 V303 G305H282-C308 HydrophobicContact CB-CB 4.23Å; H282-C308 VanDerWaalsContact CB-SG 3.57Å; V303-C308 WeakPolarHBondContact O-CA 3.45Å; V303-C308 WeakPolarHBondContact O-CB 3.06Å; G305-C308 VanDerWaalsContact O-CB 3.28Å; G305-C308 WeakPolarHBondContact O-CB 3.28Å; G305-C308 PolarHBondContact O-N 2.77Å; G305-C308 PolarHBondContact O-SG 3.38Å
309C92.6Very high94.1Very high12 Ų1237 Ų378%0.08122%0.215CC..BIsolated β-bridgetrans-126138.3-150.4-54.50000108.7H275 H282 G307H275-C309 PolarHBondContact CE1-SG 2.97Å; H282-C309 VanDerWaalsContact CB-SG 3.57Å; G307-C309 VanDerWaalsContact C-N 3.28Å; G307-C309 PolarHBondContact O-N 3Å
310S94.6Very high93.9Very high7 Ų733.9 Ų33.95%0.04920%0.204CC..  trans-62.8146.3176.2-174.40000110.7D267 E272 L312 A313D267-S310 VanDerWaalsContact CB-OG 3.28Å; D267-S310 WeakPolarHBondContact CB-OG 3.43Å; D267-S310 VanDerWaalsContact CG-OG 3.31Å; D267-S310 WeakPolarHBondContact OD2-CB 3.38Å; D267-S310 PolarHBondContact OD2-OG 3.1Å; E272-S310 WeakPolarHBondContact O-CB 3.4Å; E272-S310 PolarHBondContact O-N 3.27Å; S310-L312 PolarHBondContact O-N 2.95Å; S310-L312 PolarHBondContact OG-N 3.16Å; S310-A313 WeakPolarHBondContact O-CB 3.23Å; S310-A313 PolarHBondContact O-N 3.09Å; S310-A313 VanDerWaalsContact O-N 3.09Å
311D92.8Very high93.7Very high86 Ų8632.8 Ų32.846%0.4620%0.2SC..THydrogen-bonded Turntrans-64.2-14.9164.8-72.11.3000111Y343D311-Y343 HydrophobicContact CB-CD1 4.2Å
312L94.2Very high93.7Very high21 Ų2130.3 Ų30.311%0.1118%0.183CC..THydrogen-bonded Turntrans-110.239.1172.2-56174.4000111.3N186 W189 S310 V314 Y343 P345N186-L312 HydrophobicContact CB-CB 4.35Å; N186-L312 WeakPolarHBondContact ND2-CA 3.31Å; W189-L312 HydrophobicContact CD2-CD1 3.72Å; W189-L312 HydrophobicContact CE3-CB 4.44Å; W189-L312 HydrophobicContact CE3-CD1 3.55Å; W189-L312 HydrophobicContact CG-CD1 4.48Å; W189-L312 HydrophobicContact CH2-CD1 3.66Å; W189-L312 HydrophobicContact CZ2-CD1 3.92Å; W189-L312 HydrophobicContact CZ3-CB 4.39Å; W189-L312 HydrophobicContact CZ3-CD1 3.51Å; S310-L312 PolarHBondContact O-N 2.95Å; S310-L312 PolarHBondContact OG-N 3.16Å; L312-V314 PolarHBondContact O-N 3.35Å; L312-Y343 HydrophobicContact CD1-CD1 3.88Å; L312-Y343 HydrophobicContact CD1-CE1 3.44Å; L312-Y343 VanDerWaalsContact CD1-CE1 3.44Å; L312-Y343 HydrophobicContact CG-CD1 3.9Å; L312-Y343 HydrophobicContact CG-CE1 3.88Å; L312-P345 HydrophobicContact CD1-CB 4.14Å; L312-P345 HydrophobicContact CD1-CG 3.59Å
313A97Very high93.8Very high8 Ų829.9 Ų29.97%0.06618%0.18CC..  trans-52134.8171.700000110.2I183 N186 T273 S310 F316I183-A313 WeakPolarHBondContact CD1-O 3.44Å; N186-A313 PolarHBondContact ND2-O 3.08Å; T273-A313 CarbonylContact O-C 3.52Å; S310-A313 WeakPolarHBondContact O-CB 3.23Å; S310-A313 PolarHBondContact O-N 3.09Å; S310-A313 VanDerWaalsContact O-N 3.09Å; A313-F316 HydrophobicContact CB-CE2 3.85Å; A313-F316 HydrophobicContact CB-CZ 3.8Å
314V98.6Very high93.9Very high1 Ų125.9 Ų25.91%0.00616%0.155CC..  trans-94.4-42.1-177.7167.20000111V182 I183 N186 L187 L190 T273 F274 L312V182-V314 CarbonylContact C-O 3.54Å; V182-V314 VanDerWaalsContact CA-O 3.3Å; V182-V314 WeakPolarHBondContact CA-O 3.38Å; V182-V314 HydrophobicContact CG1-CG1 4.09Å; V182-V314 WeakPolarHBondContact CG1-O 2.98Å; I183-V314 PolarHBondContact N-O 2.96Å; N186-V314 HydrophobicContact CB-CG2 4.26Å; L187-V314 HydrophobicContact CB-CG1 3.97Å; L187-V314 HydrophobicContact CB-CG2 4.33Å; L187-V314 HydrophobicContact CD1-CG1 4.07Å; L187-V314 HydrophobicContact CG-CG1 4.41Å; L190-V314 HydrophobicContact CD1-CG2 4.31Å; T273-V314 WeakPolarHBondContact O-CA 3.49Å; T273-V314 PolarHBondContact O-N 2.76Å; F274-V314 HydrophobicContact CD1-CG1 4.06Å; F274-V314 HydrophobicContact CD2-CB 4.24Å; F274-V314 HydrophobicContact CD2-CG1 4.44Å; F274-V314 HydrophobicContact CE1-CB 4.35Å; F274-V314 HydrophobicContact CE1-CG1 3.55Å; F274-V314 HydrophobicContact CE2-CB 4.05Å; F274-V314 HydrophobicContact CE2-CG1 3.96Å; F274-V314 HydrophobicContact CE2-CG2 4.17Å; F274-V314 HydrophobicContact CG-CB 4.47Å; F274-V314 HydrophobicContact CG-CG1 4.48Å; F274-V314 HydrophobicContact CZ-CB 4.12Å; F274-V314 HydrophobicContact CZ-CG1 3.51Å; F274-V314 HydrophobicContact CZ-CG2 4.45Å; L312-V314 PolarHBondContact O-N 3.35Å
315S98.7Very high94.2Very high1 Ų125 Ų251%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-154154-173.463.50000114.5Y181 A219 T273 F274 H275Y181-S315 WeakPolarHBondContact O-CA 3.15Å; Y181-S315 WeakPolarHBondContact O-CB 3.3Å; A219-S315 VanDerWaalsContact O-CB 3.28Å; A219-S315 WeakPolarHBondContact O-CB 3.35Å; A219-S315 PolarHBondContact O-OG 3Å; T273-S315 PolarHBondContact O-N 2.9Å; F274-S315 VanDerWaalsContact CD1-OG 3.23Å; F274-S315 WeakPolarHBondContact CD1-OG 3.19Å; H275-S315 VanDerWaalsContact CB-O 3.23Å; H275-S315 WeakPolarHBondContact CB-O 3.3Å; H275-S315 PolarHBondContact CD2-O 2.67Å; H275-S315 VanDerWaalsContact CD2-O 3.32Å; H275-S315 PolarHBondContact N-O 3.16Å
316F98.4Very high94.3Very high20 Ų2030.1 Ų30.19%0.08817%0.174CC..EExtended strand (participates in β ladder)trans-132.8137.3170.8-62-88.9000109.3T180 Y181 H275 P279 A313 V319T180-F316 WeakPolarHBondContact CA-O 3.05Å; Y181-F316 PolarHBondContact N-O 3.35Å; Y181-F316 PolarHBondContact O-N 3.09Å; H275-F316 HydrophobicContact CB-CD1 3.55Å; H275-F316 HydrophobicContact CB-CE1 3.82Å; H275-F316 HydrophobicContact CB-CG 4.29Å; H275-F316 AromaticContact CD2-CD1 3.98Å; H275-F316 AromaticContact CD2-CE1 3.44Å; H275-F316 VanDerWaalsContact CD2-CE1 3.44Å; H275-F316 WeakPolarHBondContact CD2-CE1 3.44Å; H275-F316 AromaticContact CD2-CZ 3.64Å; H275-F316 AromaticContact CG-CD1 3.89Å; H275-F316 AromaticContact CG-CE1 3.61Å; P279-F316 HydrophobicContact CB-CD1 4.29Å; P279-F316 HydrophobicContact CB-CE1 4.22Å; P279-F316 HydrophobicContact CG-CD1 3.83Å; P279-F316 HydrophobicContact CG-CD2 4.39Å; P279-F316 HydrophobicContact CG-CE1 4.13Å; P279-F316 HydrophobicContact CG-CG 3.99Å; A313-F316 HydrophobicContact CB-CE2 3.85Å; A313-F316 HydrophobicContact CB-CZ 3.8Å; F316-V319 HydrophobicContact CB-CG2 3.96Å; F316-V319 WeakPolarHBondContact O-CG2 3.26Å
317H98Very high94.7Very high11 Ų1125.4 Ų25.45%0.05114%0.142CC..EExtended strand (participates in β ladder)trans-103167.1-179.8-169.3-123.1000112.2D177 D179 T180 G218 H275 F277 V278 V319D177-H317 IonicContact OD2-NE2 2.73Å; D179-H317 CarbonylContact O-C 3.49Å; D179-H317 IonicContact OD1-CD2 2.77Å; D179-H317 PolarHBondContact OD1-CD2 2.76Å; D179-H317 IonicContact OD1-CE1 3.49Å; D179-H317 IonicContact OD1-NE2 3.19Å; D179-H317 PolarHBondContact OD1-NE2 3.37Å; D179-H317 IonicContact OD2-NE2 3.54Å; T180-H317 PolarHBondContact OG1-CD2 3.21Å; G218-H317 VanDerWaalsContact CA-CD2 3.44Å; G218-H317 WeakPolarHBondContact CA-CD2 3.09Å; G218-H317 VanDerWaalsContact CA-CG 3.41Å; G218-H317 WeakPolarHBondContact CA-ND1 3.36Å; G218-H317 WeakPolarHBondContact O-CB 3.2Å; G218-H317 PolarHBondContact O-CD2 3.48Å; H275-H317 PolarHBondContact O-N 3.03Å; H275-H317 VanDerWaalsContact O-N 3.13Å; F277-H317 CarbonylContact C-O 3.59Å; F277-H317 WeakPolarHBondContact CA-O 3.33Å; V278-H317 WeakPolarHBondContact CG1-O 3.15Å; V278-H317 PolarHBondContact N-O 2.65Å; H317-V319 PolarHBondContact O-N 3.39Å
318Y95.6Very high95Very high52 Ų5224 Ų2420%0.20413%0.126CC..SBendtrans58.729.6-172.7-61.1-78.7000113.5H55 H58 D179 F277 V278 D320H55-Y318 AromaticContact ND1-CZ 3.63Å; H55-Y318 PolarHBondContact ND1-OH 3.17Å; H58-Y318 PolarHBondContact CD2-O 3.42Å; H58-Y318 VanDerWaalsContact CD2-O 3.32Å; H58-Y318 PolarHBondContact CE1-O 2.82Å; H58-Y318 WeakPolarHBondContact NE2-CB 3.07Å; H58-Y318 PolarHBondContact NE2-O 2.79Å; H58-Y318 VanDerWaalsContact NE2-O 3.12Å; D179-Y318 PolarHBondContact O-N 2.87Å; F277-Y318 AromaticContact CD1-CD2 3.89Å; F277-Y318 HydrophobicContact CD1-CD2 3.89Å; F277-Y318 AromaticContact CD1-CE2 3.87Å; F277-Y318 HydrophobicContact CD1-CE2 3.87Å; F277-Y318 HydrophobicContact CE1-CE2 4.11Å; V278-Y318 WeakPolarHBondContact CG1-O 3.28Å; Y318-D320 PolarHBondContact O-N 3.38Å
319V95.6Very high95.3Very high2 Ų228.9 Ų28.91%0.01214%0.144CC..  trans-82.3110.2177.71790000108.9D179 V278 F316 H317 T323 M324 L327D179-V319 WeakPolarHBondContact CA-O 3.49Å; D179-V319 PolarHBondContact O-N 2.99Å; V278-V319 HydrophobicContact CG1-CG2 4.4Å; F316-V319 HydrophobicContact CB-CG2 3.96Å; F316-V319 WeakPolarHBondContact O-CG2 3.26Å; H317-V319 PolarHBondContact O-N 3.39Å; V319-T323 HydrophobicContact CG1-CG2 3.96Å; V319-M324 HydrophobicContact CG1-CB 3.9Å; V319-M324 HydrophobicContact CG1-CE 4.41Å; V319-M324 HydrophobicContact CG1-CG 4.36Å; V319-L327 HydrophobicContact CG1-CD1 3.93Å; V319-L327 HydrophobicContact CG2-CD1 4.01Å
320D93.1Very high95.3Very high23 Ų2332.9 Ų32.912%0.12316%0.164CC..  trans-72.8171.6174.166.631.2000112.8H58 Y318 T322 T323 M324H58-D320 HydrophobicContact CB-CB 3.81Å; H58-D320 IonicContact ND1-OD2 2.65Å; Y318-D320 PolarHBondContact O-N 3.38Å; D320-T322 VanDerWaalsContact C-N 3.29Å; D320-T322 PolarHBondContact O-N 3.01Å; D320-T322 PolarHBondContact OD1-N 2.71Å; D320-T323 PolarHBondContact O-N 3.42Å; D320-T323 WeakPolarHBondContact OD1-CB 3.35Å; D320-T323 PolarHBondContact OD1-N 2.92Å; D320-T323 PolarHBondContact OD1-OG1 2.65Å; D320-M324 WeakPolarHBondContact O-CB 3.31Å; D320-M324 PolarHBondContact O-N 2.75Å
321S92.4Very high95.3Very high5 Ų535 Ų354%0.03518%0.176CC..Hα-helixtrans-58.8-38.2-173.357.30000113.4D60 L67 H114 Y325D60-S321 WeakPolarHBondContact OD2-CB 3.49Å; D60-S321 PolarHBondContact OD2-N 2.87Å; D60-S321 VanDerWaalsContact OD2-N 3.16Å; D60-S321 PolarHBondContact OD2-OG 3.06Å; L67-S321 WeakPolarHBondContact CB-OG 3.39Å; H114-S321 WeakPolarHBondContact CD2-CB 3.26Å; S321-Y325 WeakPolarHBondContact O-CD2 3.11Å; S321-Y325 PolarHBondContact O-N 2.89Å
322T92.3Very high95.2Very high63 Ų6332.1 Ų32.139%0.38716%0.159SC..Hα-helixtrans-70.8-50.6178.9-60.60000110.4D320 M324 Y325 E326D320-T322 VanDerWaalsContact C-N 3.29Å; D320-T322 PolarHBondContact O-N 3.01Å; D320-T322 PolarHBondContact OD1-N 2.71Å; T322-M324 PolarHBondContact O-N 2.66Å; T322-Y325 PolarHBondContact O-N 2.72Å; T322-Y325 VanDerWaalsContact O-N 3.12Å; T322-E326 PolarHBondContact O-N 3.45Å
323T93.8Very high95Very high33 Ų3333 Ų3320%0.20216%0.163CC..Hα-helixtrans-60.1-33.5178.3-51.50000111.2V319 D320 Y325 E326 L327V319-T323 HydrophobicContact CG1-CG2 3.96Å; D320-T323 PolarHBondContact O-N 3.42Å; D320-T323 WeakPolarHBondContact OD1-CB 3.35Å; D320-T323 PolarHBondContact OD1-N 2.92Å; D320-T323 PolarHBondContact OD1-OG1 2.65Å; T323-Y325 VanDerWaalsContact C-N 3.34Å; T323-Y325 PolarHBondContact O-N 2.75Å; T323-E326 PolarHBondContact O-N 2.78Å; T323-L327 HydrophobicContact CG2-CD1 4.3Å; T323-L327 HydrophobicContact CG2-CG 4.38Å; T323-L327 WeakPolarHBondContact O-CB 3.27Å; T323-L327 WeakPolarHBondContact O-CG 3.21Å; T323-L327 PolarHBondContact O-N 3.18Å
324M94.8Very high94.7Very high2 Ų236.5 Ų36.51%0.0118%0.18CC..Hα-helixtrans-60.3-43.4177.4-159.2170.9-75.400112H114 V115 T118 Y181 V319 D320 T322 E328H114-M324 VanDerWaalsContact C-SD 3.56Å; H114-M324 HydrophobicContact CB-SD 4.04Å; V115-M324 HydrophobicContact CB-SD 4.37Å; V115-M324 HydrophobicContact CG2-CE 3.64Å; V115-M324 HydrophobicContact CG2-SD 3.76Å; V115-M324 PolarHBondContact N-SD 2.79Å; T118-M324 HydrophobicContact CG2-CG 4.33Å; Y181-M324 HydrophobicContact CD2-CG 3.72Å; Y181-M324 HydrophobicContact CE2-CG 4.41Å; V319-M324 HydrophobicContact CG1-CB 3.9Å; V319-M324 HydrophobicContact CG1-CE 4.41Å; V319-M324 HydrophobicContact CG1-CG 4.36Å; D320-M324 WeakPolarHBondContact O-CB 3.31Å; D320-M324 PolarHBondContact O-N 2.75Å; T322-M324 PolarHBondContact O-N 2.66Å; M324-E328 PolarHBondContact O-N 3.45Å
325Y95.6Very high94.1Very high12 Ų1241.4 Ų41.45%0.04720%0.198CC..Hα-helixtrans-74.8-33.3176.8-69.3-51.4000112.9L67 E70 M71 F73 H114 A117 T118 S321 T322 T323 L327 E328 Y329L67-Y325 HydrophobicContact CD2-CD2 3.49Å; L67-Y325 VanDerWaalsContact CD2-CD2 3.49Å; L67-Y325 HydrophobicContact CD2-CE2 3.48Å; L67-Y325 VanDerWaalsContact CD2-CE2 3.48Å; E70-Y325 WeakPolarHBondContact CA-OH 3.49Å; M71-Y325 HydrophobicContact CB-CD1 3.79Å; M71-Y325 HydrophobicContact CB-CD2 4.22Å; M71-Y325 HydrophobicContact CB-CE1 3.66Å; M71-Y325 HydrophobicContact CB-CE2 4.12Å; M71-Y325 HydrophobicContact CB-CG 4.04Å; M71-Y325 HydrophobicContact CG-CD1 4.12Å; M71-Y325 HydrophobicContact CG-CD2 3.62Å; M71-Y325 HydrophobicContact CG-CE1 4.12Å; M71-Y325 HydrophobicContact CG-CE2 3.64Å; M71-Y325 HydrophobicContact CG-CG 3.86Å; M71-Y325 PolarHBondContact N-OH 3.37Å; M71-Y325 VanDerWaalsContact N-OH 3.16Å; F73-Y325 AromaticContact CD2-CD1 3.99Å; F73-Y325 HydrophobicContact CD2-CD1 3.99Å; F73-Y325 HydrophobicContact CD2-CE1 4.49Å; F73-Y325 AromaticContact CE2-CD1 3.41Å; F73-Y325 HydrophobicContact CE2-CD1 3.41Å; F73-Y325 VanDerWaalsContact CE2-CD1 3.41Å; F73-Y325 HydrophobicContact CE2-CE1 4.26Å; F73-Y325 AromaticContact CE2-CG 3.96Å; F73-Y325 HydrophobicContact CE2-CG 3.96Å; F73-Y325 HydrophobicContact CZ-CD1 4.48Å; F73-Y325 VanDerWaalsContact CZ-O 3.28Å; F73-Y325 WeakPolarHBondContact CZ-O 3.29Å; H114-Y325 HydrophobicContact CB-CE2 4.42Å; H114-Y325 AromaticContact ND1-CE2 3.3Å; H114-Y325 VanDerWaalsContact ND1-CE2 3.3Å; H114-Y325 WeakPolarHBondContact ND1-CE2 3.41Å; H114-Y325 AromaticContact ND1-CZ 3.45Å; H114-Y325 PolarHBondContact ND1-OH 3.47Å; A117-Y325 HydrophobicContact CB-CE1 4.2Å; T118-Y325 HydrophobicContact CG2-CD1 3.28Å; T118-Y325 HydrophobicContact CG2-CE1 3.3Å; T118-Y325 HydrophobicContact CG2-CG 4.42Å; S321-Y325 WeakPolarHBondContact O-CD2 3.11Å; S321-Y325 PolarHBondContact O-N 2.89Å; T322-Y325 PolarHBondContact O-N 2.72Å; T322-Y325 VanDerWaalsContact O-N 3.12Å; T323-Y325 VanDerWaalsContact C-N 3.34Å; T323-Y325 PolarHBondContact O-N 2.75Å; Y325-L327 VanDerWaalsContact C-N 3.35Å; Y325-E328 PolarHBondContact O-N 3.16Å; Y325-Y329 PolarHBondContact O-N 2.79Å
326E95.5Very high93.7Very high110 Ų11045.4 Ų45.451%0.51422%0.224SC..Hα-helixtrans-60.9-45.4170.5-68.8-178.3175.900111.1T322 T323 Y329 L330T322-E326 PolarHBondContact O-N 3.45Å; T323-E326 PolarHBondContact O-N 2.78Å; E326-Y329 PolarHBondContact O-N 3.32Å; E326-L330 WeakPolarHBondContact O-CB 3.12Å; E326-L330 WeakPolarHBondContact O-CG 3.16Å; E326-L330 PolarHBondContact O-N 3.39Å
327L96.6Very high93.1Very high20 Ų2056 Ų5611%0.10527%0.265CS..Hα-helixtrans-64.2-40.6175.8-71.1176.5000112.3Y181 P279 V319 T323 Y325 Y329 L330 V331Y181-L327 HydrophobicContact CD1-CB 3.97Å; Y181-L327 HydrophobicContact CD1-CD1 3.97Å; Y181-L327 HydrophobicContact CD2-CB 4.21Å; Y181-L327 HydrophobicContact CE1-CB 3.89Å; Y181-L327 HydrophobicContact CE2-CB 4.14Å; Y181-L327 HydrophobicContact CG-CB 4.12Å; Y181-L327 HydrophobicContact CG-CD1 3.93Å; P279-L327 HydrophobicContact CG-CD2 4.07Å; V319-L327 HydrophobicContact CG1-CD1 3.93Å; V319-L327 HydrophobicContact CG2-CD1 4.01Å; T323-L327 HydrophobicContact CG2-CD1 4.3Å; T323-L327 HydrophobicContact CG2-CG 4.38Å; T323-L327 WeakPolarHBondContact O-CB 3.27Å; T323-L327 WeakPolarHBondContact O-CG 3.21Å; T323-L327 PolarHBondContact O-N 3.18Å; Y325-L327 VanDerWaalsContact C-N 3.35Å; L327-Y329 VanDerWaalsContact C-N 3.33Å; L327-Y329 PolarHBondContact O-N 2.85Å; L327-L330 PolarHBondContact O-N 2.85Å; L327-V331 VanDerWaalsContact O-CB 3.24Å; L327-V331 WeakPolarHBondContact O-CB 3.37Å; L327-V331 WeakPolarHBondContact O-CG2 3.33Å; L327-V331 PolarHBondContact O-N 3.24Å
328E95.7Very high92.5Very high5 Ų558.7 Ų58.72%0.02330%0.296CS..Hα-helixtrans-56-49.8173.7-172.970.3-157.500110.8F73 T118 R122 Y181 M324 Y325 Y332 H333F73-E328 HydrophobicContact CB-CG 4.3Å; F73-E328 HydrophobicContact CD1-CG 4.18Å; F73-E328 HydrophobicContact CD2-CB 4.31Å; F73-E328 HydrophobicContact CD2-CG 3.78Å; F73-E328 HydrophobicContact CE2-CB 4.2Å; F73-E328 HydrophobicContact CE2-CG 4.18Å; F73-E328 HydrophobicContact CG-CG 3.78Å; F73-E328 HydrophobicContact CZ-CB 4.36Å; T118-E328 WeakPolarHBondContact CB-OE2 3.38Å; T118-E328 HydrophobicContact CG2-CB 4.15Å; T118-E328 HydrophobicContact CG2-CG 4.25Å; R122-E328 IonicContact CZ-OE1 3.68Å; R122-E328 IonicContact NH1-OE1 3.24Å; R122-E328 PolarHBondContact NH1-OE1 3.5Å; R122-E328 IonicContact NH1-OE2 2.75Å; R122-E328 PolarHBondContact NH1-OE2 3.32Å; R122-E328 IonicContact NH2-OE1 3.87Å; R122-E328 PolarHBondContact NH2-OE1 3.38Å; Y181-E328 HydrophobicContact CE2-CB 4.35Å; Y181-E328 VanDerWaalsContact OH-CA 3.26Å; Y181-E328 WeakPolarHBondContact OH-CA 3.34Å; Y181-E328 PolarHBondContact OH-N 3.16Å; Y181-E328 PolarHBondContact OH-OE2 2.94Å; Y181-E328 VanDerWaalsContact OH-OE2 3.12Å; M324-E328 PolarHBondContact O-N 3.45Å; Y325-E328 PolarHBondContact O-N 3.16Å; E328-Y332 PolarHBondContact O-N 3.04Å; E328-Y332 WeakPolarHBondContact OE1-CD2 3.49Å; E328-H333 PolarHBondContact O-CD2 3.41Å
329Y94.6Very high91.8Very high113 Ų11360.8 Ų60.844%0.44330%0.304SS..Iπ-helixtrans-60.1-51.2176.4-179.2-110.5000112.1F73 Y325 E326 L327 V331 H333 L334F73-Y329 HydrophobicContact CE1-CD2 4.24Å; F73-Y329 HydrophobicContact CE1-CG 4.46Å; Y325-Y329 PolarHBondContact O-N 2.79Å; E326-Y329 PolarHBondContact O-N 3.32Å; L327-Y329 VanDerWaalsContact C-N 3.33Å; L327-Y329 PolarHBondContact O-N 2.85Å; Y329-V331 VanDerWaalsContact C-N 3.3Å; Y329-V331 PolarHBondContact O-N 2.8Å; Y329-H333 HydrophobicContact CD2-CB 3.56Å; Y329-H333 HydrophobicContact CE2-CB 3.91Å; Y329-H333 HydrophobicContact CG-CB 4.41Å; Y329-H333 CarbonylContact O-C 3.04Å; Y329-H333 WeakPolarHBondContact O-CA 3.19Å; Y329-H333 WeakPolarHBondContact O-CB 3.45Å; Y329-H333 PolarHBondContact O-N 2.88Å; Y329-L334 HydrophobicContact CD1-CB 4.22Å; Y329-L334 HydrophobicContact CE1-CB 3.85Å; Y329-L334 HydrophobicContact CE1-CD1 4.12Å; Y329-L334 HydrophobicContact CE1-CD2 4.37Å; Y329-L334 HydrophobicContact CE1-CG 4.33Å; Y329-L334 PolarHBondContact O-N 2.8Å
330L94.4Very high90.9Very high95 Ų9567.5 Ų67.550%0.49734%0.339SS..Iπ-helixtrans-67.1-30.1-174.6-68.8175.8000113.3E326 L327 L334E326-L330 WeakPolarHBondContact O-CB 3.12Å; E326-L330 WeakPolarHBondContact O-CG 3.16Å; E326-L330 PolarHBondContact O-N 3.39Å; L327-L330 PolarHBondContact O-N 2.85Å; L330-L334 HydrophobicContact CD2-CD2 3.45Å; L330-L334 VanDerWaalsContact CD2-CD2 3.45Å
331V93.1Very high89.9Confident51 Ų5173 Ų7331%0.30936%0.359SS..Iπ-helixtrans-87.1-45.9-177.7174.40000111.7Y181 I183 L327 Y329Y181-V331 HydrophobicContact CE1-CG2 4.3Å; I183-V331 HydrophobicContact CD1-CG1 4.07Å; I183-V331 HydrophobicContact CD1-CG2 3.86Å; I183-V331 HydrophobicContact CG1-CG1 4.15Å; I183-V331 HydrophobicContact CG1-CG2 4.39Å; I183-V331 HydrophobicContact CG2-CG1 4.05Å; L327-V331 VanDerWaalsContact O-CB 3.24Å; L327-V331 WeakPolarHBondContact O-CB 3.37Å; L327-V331 WeakPolarHBondContact O-CG2 3.33Å; L327-V331 PolarHBondContact O-N 3.24Å; Y329-V331 VanDerWaalsContact C-N 3.3Å; Y329-V331 PolarHBondContact O-N 2.8Å
332Y91.3Very high88.9Confident26 Ų2682.2 Ų82.210%0.10239%0.393CS..Iπ-helixtrans-106.2-23.3-169.6-65.4-69.5000114.2R122 Y181 D185 E328 R335R122-Y332 VanDerWaalsContact CD-CZ 3.48Å; R122-Y332 WeakPolarHBondContact CD-OH 3.37Å; R122-Y332 VanDerWaalsContact CZ-CD2 3.43Å; R122-Y332 VanDerWaalsContact NE-CZ 3.26Å; Y181-Y332 VanDerWaalsContact OH-CE2 3.31Å; Y181-Y332 WeakPolarHBondContact OH-CE2 3.45Å; D185-Y332 WeakPolarHBondContact OD2-CE1 3.47Å; E328-Y332 PolarHBondContact O-N 3.04Å; E328-Y332 WeakPolarHBondContact OE1-CD2 3.49Å; Y332-R335 PolarHBondContact O-NH2 3.27Å
333H89.9Confident88Confident40 Ų4081.7 Ų81.719%0.18539%0.385CS..Iπ-helixtrans-110-45.7-172.1-61.9-95.7000113.7F73 H80 E328 Y329 R335F73-H333 AromaticContact CD1-CD2 3.58Å; F73-H333 AromaticContact CD1-CE1 3.85Å; F73-H333 AromaticContact CD1-NE2 3.44Å; F73-H333 WeakPolarHBondContact CD1-NE2 3.4Å; F73-H333 AromaticContact CG-NE2 3.83Å; F73-H333 PolarHBondContact O-CE1 3.4Å; H80-H333 AromaticContact CE1-ND1 3.51Å; H80-H333 AromaticContact NE2-CE1 3.84Å; H80-H333 AromaticContact NE2-ND1 3.3Å; H80-H333 PolarHBondContact NE2-ND1 3.16Å; E328-H333 PolarHBondContact O-CD2 3.41Å; Y329-H333 HydrophobicContact CD2-CB 3.56Å; Y329-H333 HydrophobicContact CE2-CB 3.91Å; Y329-H333 HydrophobicContact CG-CB 4.41Å; Y329-H333 CarbonylContact O-C 3.04Å; Y329-H333 WeakPolarHBondContact O-CA 3.19Å; Y329-H333 WeakPolarHBondContact O-CB 3.45Å; Y329-H333 PolarHBondContact O-N 2.88Å; H333-R335 PolarHBondContact O-N 3.38Å
334L90.9Very high87.2Confident81 Ų8187.2 Ų87.242%0.42441%0.408SS..  trans-73.7121-177-178.466.3000110.7Y329 L330Y329-L334 HydrophobicContact CD1-CB 4.22Å; Y329-L334 HydrophobicContact CE1-CB 3.85Å; Y329-L334 HydrophobicContact CE1-CD1 4.12Å; Y329-L334 HydrophobicContact CE1-CD2 4.37Å; Y329-L334 HydrophobicContact CE1-CG 4.33Å; Y329-L334 PolarHBondContact O-N 2.8Å; L330-L334 HydrophobicContact CD2-CD2 3.45Å; L330-L334 VanDerWaalsContact CD2-CD2 3.45Å
335R86.7Confident86.3Confident105 Ų10588.5 Ų88.540%0.39642%0.417SS..  trans-135.9130.8172.3-62.1-179.5-167.8-159.2-1.8110.6E83 Y332 H333E83-R335 VanDerWaalsContact CD-NH1 3.27Å; E83-R335 IonicContact OE1-CZ 3.85Å; E83-R335 IonicContact OE1-NH1 2.86Å; E83-R335 PolarHBondContact OE1-NH1 2.93Å; E83-R335 IonicContact OE1-NH2 2.72Å; E83-R335 PolarHBondContact OE1-NH2 3.26Å; E83-R335 IonicContact OE2-CZ 3.3Å; E83-R335 IonicContact OE2-NH1 2.72Å; E83-R335 IonicContact OE2-NH2 2.95Å; E83-R335 PolarHBondContact OE2-NH2 2.83Å; Y332-R335 PolarHBondContact O-NH2 3.27Å; H333-R335 PolarHBondContact O-N 3.38Å
336P88.4Confident85.5Confident85 Ų8593.6 Ų93.655%0.55245%0.449SS*.  trans-66.4136.3168.95.44000109.6G338 Y339P336-G338 PolarHBondContact O-N 3.4Å; P336-Y339 HydrophobicContact CG-CD2 4.25Å; P336-Y339 HydrophobicContact CG-CG 4.16Å; P336-Y339 WeakPolarHBondContact O-CB 3.32Å; P336-Y339 PolarHBondContact O-N 3.49Å
337Y87.8Confident84.8Confident243 Ų24389.2 Ų89.295%0.95343%0.429SS*.THydrogen-bonded Turntrans-56.2129.9175.2179.1-94.9000111.1Y339Y337-Y339 VanDerWaalsContact C-N 3.3Å; Y337-Y339 PolarHBondContact O-N 2.88Å
338G83.7Confident83.9Confident67 Ų6789.5 Ų89.569%0.69143%0.432SS*.THydrogen-bonded Turntrans78.36.8-178.800000115.2P336 L340P336-G338 PolarHBondContact O-N 3.4Å; G338-L340 PolarHBondContact O-N 3.46Å
339Y81.1Confident83.1Confident95 Ų9595.7 Ų95.737%0.37346%0.461SS..  trans-65.9126.8174.3-179.7-103000111.5P336 Y337 Y341 R342P336-Y339 HydrophobicContact CG-CD2 4.25Å; P336-Y339 HydrophobicContact CG-CG 4.16Å; P336-Y339 WeakPolarHBondContact O-CB 3.32Å; P336-Y339 PolarHBondContact O-N 3.49Å; Y337-Y339 VanDerWaalsContact C-N 3.3Å; Y337-Y339 PolarHBondContact O-N 2.88Å; Y339-Y341 HydrophobicContact CE1-CD1 4.19Å; Y339-R342 HydrophobicContact CE2-CG 3.84Å; Y339-R342 PolarHBondContact OH-N 3.44Å
340L76.6Confident82.2Confident144 Ų14494.3 Ų94.375%0.75446%0.461SS*.  trans-111.1141.4164.2-60.6174.8000107.3G338 R342G338-L340 PolarHBondContact O-N 3.46Å; L340-R342 PolarHBondContact O-N 2.86Å; L340-R342 VanDerWaalsContact O-N 3.08Å
341Y73.4Confident81.5Confident137 Ų13790 Ų9054%0.53744%0.439SS..  trans-49.4118.3-178.5-59.8-77.6000111.5Y339Y339-Y341 HydrophobicContact CE1-CD1 4.19Å
342R71.7Confident80.7Confident199 Ų19991.4 Ų91.475%0.75144%0.444SS*.SBendtrans-68.1-41.1-177.7-74.2179.9-70.8172.9-1.4112.6Y339 L340Y339-R342 HydrophobicContact CE2-CG 3.84Å; Y339-R342 PolarHBondContact OH-N 3.44Å; L340-R342 PolarHBondContact O-N 2.86Å; L340-R342 VanDerWaalsContact O-N 3.08Å
343Y72.9Confident80Confident53 Ų5395.4 Ų95.421%0.20846%0.462CS..  trans-109.8115.3177.3179.3-123.2000108.7T268 T269 D311 L312 P345T268-Y343 PolarHBondContact N-OH 2.9Å; T268-Y343 PolarHBondContact OG1-OH 3.04Å; T269-Y343 HydrophobicContact CG2-CE2 4.44Å; D311-Y343 HydrophobicContact CB-CD1 4.2Å; L312-Y343 HydrophobicContact CD1-CD1 3.88Å; L312-Y343 HydrophobicContact CD1-CE1 3.44Å; L312-Y343 VanDerWaalsContact CD1-CE1 3.44Å; L312-Y343 HydrophobicContact CG-CD1 3.9Å; L312-Y343 HydrophobicContact CG-CE1 3.88Å; Y343-P345 HydrophobicContact CE1-CB 4.12Å; Y343-P345 HydrophobicContact CE1-CG 4.41Å; Y343-P345 WeakPolarHBondContact O-CD 3.44Å
344Q76Confident79.3Confident148 Ų14897.5 Ų97.569%0.69247%0.472SS*.  trans-11586.9177.3-68.9-172.3-15.200108.2
345P76.5Confident78.5Confident30 Ų3094.6 Ų94.620%0.19546%0.457CS..PPolyproline II helixtrans-64.1147.7177.632.2-41.6000111.1W189 L312 Y343 L347W189-P345 HydrophobicContact CD2-CG 4.25Å; W189-P345 VanDerWaalsContact CE2-CG 3.49Å; W189-P345 HydrophobicContact CG-CG 4.46Å; W189-P345 HydrophobicContact CH2-CB 4.14Å; W189-P345 HydrophobicContact CZ2-CB 3.17Å; W189-P345 HydrophobicContact CZ2-CG 3.78Å; W189-P345 VanDerWaalsContact NE1-CG 3.27Å; L312-P345 HydrophobicContact CD1-CB 4.14Å; L312-P345 HydrophobicContact CD1-CG 3.59Å; Y343-P345 HydrophobicContact CE1-CB 4.12Å; Y343-P345 HydrophobicContact CE1-CG 4.41Å; Y343-P345 WeakPolarHBondContact O-CD 3.44Å; P345-L347 PolarHBondContact O-N 3.3Å
346T79.2Confident78Confident119 Ų11992.1 Ų92.173%0.7346%0.456SS*.PPolyproline II helixtrans-64.7129.7172.3-33.20000110
347L79.8Confident77.2Confident17 Ų1793.3 Ų93.39%0.08945%0.454CS..PPolyproline II helixtrans-82.8154.3166.7-73.1166.7000110.1I87 L91 P345 I351 L352 I355I87-L347 HydrophobicContact CD1-CD1 4.4Å; I87-L347 HydrophobicContact CG2-CD1 3.81Å; L91-L347 HydrophobicContact CD1-CD2 4.27Å; L91-L347 HydrophobicContact CD2-CD2 4.41Å; P345-L347 PolarHBondContact O-N 3.3Å; L347-I351 HydrophobicContact CD1-CG2 4.29Å; L347-L352 HydrophobicContact CB-CD1 4.45Å; L347-L352 HydrophobicContact CB-CD2 3.94Å; L347-L352 HydrophobicContact CB-CG 3.88Å; L347-L352 HydrophobicContact CD1-CD2 4.12Å; L347-L352 WeakPolarHBondContact O-CD1 3.36Å; L347-I355 HydrophobicContact CD1-CD1 4.29Å
348P78.4Confident76.4Confident26 Ų2684 Ų8417%0.16943%0.427CS..PPolyproline II helixtrans-47.9140.2166.9-27.834.2000112.7S192 K193 D350 I351 L352S192-P348 WeakPolarHBondContact O-CG 3.48Å; K193-P348 HydrophobicContact CG-CG 4.5Å; P348-D350 VanDerWaalsContact C-N 3.26Å; P348-D350 WeakPolarHBondContact CB-OD1 3.47Å; P348-D350 PolarHBondContact O-N 3.46Å; P348-I351 HydrophobicContact CB-CD1 4.18Å; P348-I351 HydrophobicContact CB-CG1 4.15Å; P348-I351 HydrophobicContact CG-CD1 3.97Å; P348-I351 HydrophobicContact CG-CG1 4.49Å; P348-I351 WeakPolarHBondContact O-CB 3.4Å; P348-I351 PolarHBondContact O-N 2.87Å; P348-I351 VanDerWaalsContact O-N 3.13Å; P348-L352 PolarHBondContact O-N 3.36Å; P348-L352 VanDerWaalsContact O-N 3.1Å
349E78.3Confident75.7Confident136 Ų13683.8 Ų83.864%0.63641%0.41SS*.Hα-helixtrans-60.1-33.8-173.6-78.8-167-170.100113.8L352 K353E349-L352 PolarHBondContact O-N 3Å; E349-K353 WeakPolarHBondContact O-CB 3.46Å; E349-K353 WeakPolarHBondContact O-CD 3.33Å; E349-K353 WeakPolarHBondContact O-CG 3.37Å; E349-K353 PolarHBondContact O-N 2.86Å; E349-K353 IonicContact OE2-NZ 3.46Å; E349-K353 PolarHBondContact OE2-NZ 2.95Å
350D76.5Confident75.1Confident84 Ų8486 Ų8645%0.44942%0.422SS..Hα-helixtrans-64.7-42.2177.664-59.6000111.1K94 P348 K353 E354K94-D350 IonicContact NZ-OD2 3.45Å; K94-D350 PolarHBondContact NZ-OD2 3.19Å; P348-D350 VanDerWaalsContact C-N 3.26Å; P348-D350 WeakPolarHBondContact CB-OD1 3.47Å; P348-D350 PolarHBondContact O-N 3.46Å; D350-K353 PolarHBondContact O-N 3.45Å; D350-E354 PolarHBondContact O-N 3.35Å
351I78.3Confident74.3Confident4 Ų486 Ų862%0.02142%0.416CS..Hα-helixtrans-63.4-47.2175-60-174.5000110.2L91 K94 L347 P348 K353 E354 I355L91-I351 HydrophobicContact CD2-CD1 3.82Å; K94-I351 HydrophobicContact CD-CD1 4.21Å; K94-I351 HydrophobicContact CD-CG1 3.89Å; L347-I351 HydrophobicContact CD1-CG2 4.29Å; P348-I351 HydrophobicContact CB-CD1 4.18Å; P348-I351 HydrophobicContact CB-CG1 4.15Å; P348-I351 HydrophobicContact CG-CD1 3.97Å; P348-I351 HydrophobicContact CG-CG1 4.49Å; P348-I351 WeakPolarHBondContact O-CB 3.4Å; P348-I351 PolarHBondContact O-N 2.87Å; P348-I351 VanDerWaalsContact O-N 3.13Å; I351-K353 VanDerWaalsContact C-N 3.33Å; I351-K353 PolarHBondContact O-N 2.79Å; I351-E354 PolarHBondContact O-N 2.91Å; I351-I355 HydrophobicContact CG2-CD1 3.73Å; I351-I355 HydrophobicContact CG2-CG1 4.48Å; I351-I355 WeakPolarHBondContact O-CG1 3.24Å; I351-I355 PolarHBondContact O-N 3.4Å
352L76.9Confident73.7Confident81 Ų8185 Ų8542%0.42442%0.416SS..Hα-helixtrans-59.6-42.7176.9-71.4175.3000112.5L347 P348 E349 S356L347-L352 HydrophobicContact CB-CD1 4.45Å; L347-L352 HydrophobicContact CB-CD2 3.94Å; L347-L352 HydrophobicContact CB-CG 3.88Å; L347-L352 HydrophobicContact CD1-CD2 4.12Å; L347-L352 WeakPolarHBondContact O-CD1 3.36Å; P348-L352 PolarHBondContact O-N 3.36Å; P348-L352 VanDerWaalsContact O-N 3.1Å; E349-L352 PolarHBondContact O-N 3Å; L352-S356 WeakPolarHBondContact O-CB 3.47Å; L352-S356 PolarHBondContact O-N 3.14Å
353K76.3Confident73.1Confident109 Ų10980.5 Ų80.547%0.47441%0.407SS..Hα-helixtrans-62.5-43.3177.4-76.8165.6-168158.50111.1E349 D350 I351 S356 Q357E349-K353 WeakPolarHBondContact O-CB 3.46Å; E349-K353 WeakPolarHBondContact O-CD 3.33Å; E349-K353 WeakPolarHBondContact O-CG 3.37Å; E349-K353 PolarHBondContact O-N 2.86Å; E349-K353 IonicContact OE2-NZ 3.46Å; E349-K353 PolarHBondContact OE2-NZ 2.95Å; D350-K353 PolarHBondContact O-N 3.45Å; I351-K353 VanDerWaalsContact C-N 3.33Å; I351-K353 PolarHBondContact O-N 2.79Å; K353-S356 PolarHBondContact O-N 2.96Å; K353-S356 PolarHBondContact O-OG 2.95Å; K353-Q357 VanDerWaalsContact O-CG 3.29Å; K353-Q357 WeakPolarHBondContact O-CG 3.36Å; K353-Q357 PolarHBondContact O-N 3.33Å
354E75Confident72Confident84 Ų8481.6 Ų81.639%0.39342%0.419SS..Hα-helixtrans-66.3-45.3179.1-78.1178.7-141.500113.2K94 D350 I351 S356 Q357 A358K94-E354 WeakPolarHBondContact CE-OE1 3.31Å; K94-E354 WeakPolarHBondContact CE-OE2 3.48Å; K94-E354 IonicContact NZ-OE1 3.38Å; K94-E354 PolarHBondContact NZ-OE1 2.96Å; K94-E354 IonicContact NZ-OE2 3.7Å; K94-E354 PolarHBondContact NZ-OE2 3.33Å; D350-E354 PolarHBondContact O-N 3.35Å; I351-E354 PolarHBondContact O-N 2.91Å; E354-S356 VanDerWaalsContact C-N 3.28Å; E354-S356 PolarHBondContact O-N 3.02Å; E354-Q357 WeakPolarHBondContact O-CB 3.38Å; E354-Q357 PolarHBondContact O-N 3.38Å; E354-A358 PolarHBondContact O-N 3.3Å
355I75.5Confident70.9Confident21 Ų2182.3 Ų82.311%0.10842%0.42CS..Hα-helixtrans-58.9-44.9175.8-65.6162.5000109.8I87 N90 L347 I351 Q357 A358 N359I87-I355 HydrophobicContact CG1-CD1 4.15Å; N90-I355 HydrophobicContact CB-CD1 4.5Å; N90-I355 HydrophobicContact CB-CG1 4.2Å; L347-I355 HydrophobicContact CD1-CD1 4.29Å; I351-I355 HydrophobicContact CG2-CD1 3.73Å; I351-I355 HydrophobicContact CG2-CG1 4.48Å; I351-I355 WeakPolarHBondContact O-CG1 3.24Å; I351-I355 PolarHBondContact O-N 3.4Å; I355-Q357 PolarHBondContact O-N 2.91Å; I355-A358 PolarHBondContact O-N 2.92Å; I355-N359 PolarHBondContact O-N 3.37Å; I355-N359 PolarHBondContact O-OD1 2.91Å
356S75.1Confident69.8Low53 Ų5385.5 Ų85.537%0.37144%0.438SS..Hα-helixtrans-62.1-30177.481.10000113.4L352 K353 E354 K360L352-S356 WeakPolarHBondContact O-CB 3.47Å; L352-S356 PolarHBondContact O-N 3.14Å; K353-S356 PolarHBondContact O-N 2.96Å; K353-S356 PolarHBondContact O-OG 2.95Å; E354-S356 VanDerWaalsContact C-N 3.28Å; E354-S356 PolarHBondContact O-N 3.02Å; S356-K360 WeakPolarHBondContact O-CD 3.48Å; S356-K360 VanDerWaalsContact O-CG 3.25Å; S356-K360 WeakPolarHBondContact O-CG 3.4Å; S356-K360 PolarHBondContact O-N 2.98Å
357Q72.9Confident68.4Low109 Ų10988.3 Ų88.351%0.50944%0.441SS..Hα-helixtrans-80.4-36.2177.1-72.8175.82000112.3K353 E354 I355 K361K353-Q357 VanDerWaalsContact O-CG 3.29Å; K353-Q357 WeakPolarHBondContact O-CG 3.36Å; K353-Q357 PolarHBondContact O-N 3.33Å; E354-Q357 WeakPolarHBondContact O-CB 3.38Å; E354-Q357 PolarHBondContact O-N 3.38Å; I355-Q357 PolarHBondContact O-N 2.91Å; Q357-K361 WeakPolarHBondContact O-CG 3.33Å; Q357-K361 PolarHBondContact O-N 3.43Å; Q357-K361 VanDerWaalsContact O-N 3.13Å
358A70.8Confident67.1Low49 Ų4994.5 Ų94.541%0.40547%0.473SS..Hα-helixtrans-61.5-50.717400000110.5E354 I355 K360 K361 E362E354-A358 PolarHBondContact O-N 3.3Å; I355-A358 PolarHBondContact O-N 2.92Å; A358-K360 VanDerWaalsContact C-N 3.32Å; A358-K360 PolarHBondContact O-N 3.26Å; A358-K361 WeakPolarHBondContact O-CB 3.41Å; A358-K361 PolarHBondContact O-N 2.94Å; A358-E362 PolarHBondContact O-N 2.9Å
359N69.3Low65.3Low61 Ų6195.7 Ų95.733%0.32649%0.49SS..Hα-helixtrans-61.3-39.7-179.9-64.46.2000111.7I355 K361 E362 D363I355-N359 PolarHBondContact O-N 3.37Å; I355-N359 PolarHBondContact O-OD1 2.91Å; N359-K361 VanDerWaalsContact C-N 3.34Å; N359-K361 PolarHBondContact O-N 3.36Å; N359-E362 PolarHBondContact O-N 2.93Å; N359-D363 PolarHBondContact O-N 3.46Å
360K67.4Low63.2Low142 Ų14296 Ų9662%0.61750%0.496SS*.Hα-helixtrans-62.7-36.9173.7-78.2175-177.3176.70113.2S356 A358 T364S356-K360 WeakPolarHBondContact O-CD 3.48Å; S356-K360 VanDerWaalsContact O-CG 3.25Å; S356-K360 WeakPolarHBondContact O-CG 3.4Å; S356-K360 PolarHBondContact O-N 2.98Å; A358-K360 VanDerWaalsContact C-N 3.32Å; A358-K360 PolarHBondContact O-N 3.26Å; K360-T364 WeakPolarHBondContact O-CB 3.41Å; K360-T364 PolarHBondContact O-N 2.81Å; K360-T364 PolarHBondContact O-OG1 3.45Å
361K60.9Low61.6Low144 Ų144101.4 Ų101.463%0.62654%0.536SS*.Hα-helixtrans-71.9-35.2177.6-77.4177-179.6173.80111.5Q357 A358 N359 T364 K365Q357-K361 WeakPolarHBondContact O-CG 3.33Å; Q357-K361 PolarHBondContact O-N 3.43Å; Q357-K361 VanDerWaalsContact O-N 3.13Å; A358-K361 WeakPolarHBondContact O-CB 3.41Å; A358-K361 PolarHBondContact O-N 2.94Å; N359-K361 VanDerWaalsContact C-N 3.34Å; N359-K361 PolarHBondContact O-N 3.36Å; K361-T364 PolarHBondContact O-N 3.45Å; K361-K365 PolarHBondContact O-N 2.98Å
362E60.8Low60.8Low116 Ų116106.3 Ų106.354%0.54256%0.561SS.*Hα-helixtrans-70.9-45.3178.2-158.7158.4-14700111.7A358 N359 T364 K365 V366A358-E362 PolarHBondContact O-N 2.9Å; N359-E362 PolarHBondContact O-N 2.93Å; E362-T364 PolarHBondContact O-N 3.07Å; E362-K365 PolarHBondContact O-N 3.48Å; E362-V366 WeakPolarHBondContact O-CG2 3.43Å; E362-V366 PolarHBondContact O-N 3.19Å
363D58.2Low59.9Low104 Ų104107.6 Ų107.656%0.55657%0.569SS**Hα-helixtrans-56-36.4170.5-80.2-22.4000112.5N359 K367N359-D363 PolarHBondContact O-N 3.46Å; D363-K367 WeakPolarHBondContact O-CB 3.47Å; D363-K367 VanDerWaalsContact O-CG 3.31Å; D363-K367 WeakPolarHBondContact O-CG 3.45Å; D363-K367 PolarHBondContact O-N 3.15Å; D363-K367 VanDerWaalsContact O-N 3.08Å
364T50.9Low59Low77 Ų77107.6 Ų107.647%0.47257%0.574SS.*Hα-helixtrans-72.8-37.1178-54.90000111.5K360 K361 E362 K367 L368K360-T364 WeakPolarHBondContact O-CB 3.41Å; K360-T364 PolarHBondContact O-N 2.81Å; K360-T364 PolarHBondContact O-OG1 3.45Å; K361-T364 PolarHBondContact O-N 3.45Å; E362-T364 PolarHBondContact O-N 3.07Å; T364-K367 PolarHBondContact O-N 3Å; T364-L368 HydrophobicContact CG2-CD1 3.91Å; T364-L368 WeakPolarHBondContact O-CB 3.31Å; T364-L368 WeakPolarHBondContact O-CD1 3.32Å; T364-L368 WeakPolarHBondContact O-CG 3.34Å; T364-L368 PolarHBondContact O-N 3.46Å; T364-L368 VanDerWaalsContact O-N 3.07Å
365K52Low58.1Low163 Ų163108.9 Ų108.971%0.70959%0.585SS**Hα-helixtrans-68.6-40.5173.9-80.9-177.7177.6179.70112.4K361 E362 K367 L368 G369K361-K365 PolarHBondContact O-N 2.98Å; E362-K365 PolarHBondContact O-N 3.48Å; K365-K367 VanDerWaalsContact C-N 3.3Å; K365-K367 PolarHBondContact O-N 3.46Å; K365-L368 PolarHBondContact O-N 3.17Å; K365-G369 PolarHBondContact O-N 3.41Å
366V53.5Low57Low96 Ų96114.4 Ų114.458%0.58261%0.614SS**Hα-helixtrans-63-38.7174.71740000110.7E362 G369E362-V366 WeakPolarHBondContact O-CG2 3.43Å; E362-V366 PolarHBondContact O-N 3.19Å; V366-G369 PolarHBondContact O-N 3.49Å
367K50.4Low55.8Low179 Ų179118.5 Ų118.578%0.77863%0.631SS**Hα-helixtrans-70.3-26.4174.4-75.1178.5-176.8178.50114.5D363 T364 K365D363-K367 WeakPolarHBondContact O-CB 3.47Å; D363-K367 VanDerWaalsContact O-CG 3.31Å; D363-K367 WeakPolarHBondContact O-CG 3.45Å; D363-K367 PolarHBondContact O-N 3.15Å; D363-K367 VanDerWaalsContact O-N 3.08Å; T364-K367 PolarHBondContact O-N 3Å; K365-K367 VanDerWaalsContact C-N 3.3Å; K365-K367 PolarHBondContact O-N 3.46Å
368L51.7Low54.6Low147 Ų147119.2 Ų119.277%0.7764%0.639SS**Hα-helixtrans-91.8-11.4177.4-76.5159.8000113.3T364 K365T364-L368 HydrophobicContact CG2-CD1 3.91Å; T364-L368 WeakPolarHBondContact O-CB 3.31Å; T364-L368 WeakPolarHBondContact O-CD1 3.32Å; T364-L368 WeakPolarHBondContact O-CG 3.34Å; T364-L368 PolarHBondContact O-N 3.46Å; T364-L368 VanDerWaalsContact O-N 3.07Å; K365-L368 PolarHBondContact O-N 3.17Å
369G40.2Very low53.3Low50 Ų50124.6 Ų124.652%0.51566%0.657SS.*SBendtrans-1007.5-174.200000115.9K365 V366 P371K365-G369 PolarHBondContact O-N 3.41Å; V366-G369 PolarHBondContact O-N 3.49Å; G369-P371 WeakPolarHBondContact O-CD 3.39Å
370N35Very low52Low143 Ų143129.9 Ų129.977%0.76569%0.685SS**  trans-103.3102169-90.8-3.4000109.9
371P43.2Very low50.6Low198 Ų198128.8 Ų128.8100%1.28669%0.691SS**  trans-660160.6-9.524.6000112.3G369G369-P371 WeakPolarHBondContact O-CD 3.39Å

Retrieved 371 of 371 residues in 114.8 ms (Link to these results)

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