A0A093HEL6_STRCA Loading...

Polypeptide N-acetylgalactosaminyltransferase

Catalyzes the initial reaction in O-linked oligosaccharide biosynthesis, the transfer of an N-acetyl-D-galactosamine residue to a serine or threonine residue on the protein receptor. Has a broad spectrum of substrates such as apomucin-, MUC5AC-, MUC1- and MUC2-derived peptides.

AlphaFold DB , UniProt , Accession A0A093HEL6, Species STRCA (Struthio camelus australis), Gene n/a, Length 559 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
1M55.3Low66.8Low227 Ų227139.1 Ų139.1100%1.11867%0.67SS**  0-29.40-76-174.1-85.700115.4
2R55.7Low68.1Low216 Ų216132.1 Ų132.182%0.81565%0.652SS**Hα-helixtrans-72.3-31.7-177.9-81.4-179.8170.9173.9-3.6116.5F4 A5 Y6R2-F4 PolarHBondContact O-N 3.05Å; R2-A5 PolarHBondContact O-N 3.44Å; R2-Y6 VanDerWaalsContact O-CD2 3.28Å; R2-Y6 WeakPolarHBondContact O-CD2 3.28Å; R2-Y6 PolarHBondContact O-N 3.49Å
3K53.8Low69.4Low193 Ų193127.1 Ų127.184%0.83963%0.634SS**Hα-helixtrans-68.4-30-178.7-72.1-173.2176.1-176.70114.3C7K3-C7 PolarHBondContact O-N 3.33Å
4F55.6Low70.3Confident165 Ų165122.4 Ų122.472%0.72462%0.619SS**Hα-helixtrans-72.9-29.7176.3-107.2-86.7000112.8R2 K8R2-F4 PolarHBondContact O-N 3.05Å; F4-K8 WeakPolarHBondContact O-CG 3.41Å; F4-K8 PolarHBondContact O-N 2.85Å
5A62.8Low71.3Confident54 Ų54121.8 Ų121.845%0.44662%0.617SS.*Hα-helixtrans-68.7-43.4176.600000111.3R2 C7 K8 V9R2-A5 PolarHBondContact O-N 3.44Å; A5-C7 VanDerWaalsContact C-N 3.35Å; A5-C7 PolarHBondContact O-N 3.48Å; A5-K8 PolarHBondContact O-N 3.25Å; A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 2.9Å
6Y69.1Low72.4Confident170 Ų170119.6 Ų119.667%0.66761%0.611SS**Hα-helixtrans-62.1-41.4175.1-77.2-78000112.3R2 K8 V9 V10R2-Y6 VanDerWaalsContact O-CD2 3.28Å; R2-Y6 WeakPolarHBondContact O-CD2 3.28Å; R2-Y6 PolarHBondContact O-N 3.49Å; Y6-K8 VanDerWaalsContact C-N 3.35Å; Y6-K8 PolarHBondContact O-N 3.31Å; Y6-V9 PolarHBondContact O-N 2.89Å; Y6-V10 WeakPolarHBondContact O-CB 3.5Å; Y6-V10 VanDerWaalsContact O-CG2 3.3Å; Y6-V10 WeakPolarHBondContact O-CG2 3.13Å; Y6-V10 PolarHBondContact O-N 2.85Å
7C69.6Low73.1Confident71 Ų71122.2 Ų122.248%0.4861%0.612SS.*Hα-helixtrans-64.9-39.4177.4-162.30000111.8K3 A5 V10 L11K3-C7 PolarHBondContact O-N 3.33Å; A5-C7 VanDerWaalsContact C-N 3.35Å; A5-C7 PolarHBondContact O-N 3.48Å; C7-V10 PolarHBondContact O-N 3.27Å; C7-L11 VanDerWaalsContact O-CB 3.29Å; C7-L11 WeakPolarHBondContact O-CB 3.32Å; C7-L11 VanDerWaalsContact O-CG 3.26Å; C7-L11 WeakPolarHBondContact O-CG 3.26Å; C7-L11 PolarHBondContact O-N 3.27Å
8K73Confident73.9Confident148 Ų148120.4 Ų120.464%0.64361%0.609SS**Hα-helixtrans-65-39.2172.9-75.7-175.4178.1-171.70112.8F4 A5 Y6 A12F4-K8 WeakPolarHBondContact O-CG 3.41Å; F4-K8 PolarHBondContact O-N 2.85Å; A5-K8 PolarHBondContact O-N 3.25Å; Y6-K8 VanDerWaalsContact C-N 3.35Å; Y6-K8 PolarHBondContact O-N 3.31Å; K8-A12 WeakPolarHBondContact O-CB 3.29Å; K8-A12 PolarHBondContact O-N 3.45Å
9V79.9Confident74.5Confident87 Ų87119.6 Ų119.653%0.52761%0.605SS.*Hα-helixtrans-67.5-46.4176.8172.30000110.4A5 Y6 A12 T13A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 2.9Å; Y6-V9 PolarHBondContact O-N 2.89Å; V9-A12 PolarHBondContact O-N 3.5Å; V9-T13 HydrophobicContact CG1-CG2 4.32Å; V9-T13 WeakPolarHBondContact O-CB 3.37Å; V9-T13 WeakPolarHBondContact O-CG2 3.47Å; V9-T13 PolarHBondContact O-N 2.96Å; V9-T13 PolarHBondContact O-OG1 2.8Å
10V80.6Confident75Confident85 Ų85117.6 Ų117.652%0.51560%0.596SS.*Hα-helixtrans-61.1-48.1177.5172.90000110.5Y6 C7 A12 T13 S14Y6-V10 WeakPolarHBondContact O-CB 3.5Å; Y6-V10 VanDerWaalsContact O-CG2 3.3Å; Y6-V10 WeakPolarHBondContact O-CG2 3.13Å; Y6-V10 PolarHBondContact O-N 2.85Å; C7-V10 PolarHBondContact O-N 3.27Å; V10-A12 PolarHBondContact O-N 3.06Å; V10-T13 WeakPolarHBondContact CA-OG1 3.28Å; V10-T13 PolarHBondContact O-N 2.81Å; V10-T13 PolarHBondContact O-OG1 2.87Å; V10-S14 WeakPolarHBondContact O-CB 3.35Å; V10-S14 PolarHBondContact O-N 3.29Å; V10-S14 PolarHBondContact O-OG 3.44Å; V10-S14 VanDerWaalsContact O-OG 3.06Å
11L79.9Confident75.2Confident114 Ų114116 Ų11660%0.59759%0.589SS**Hα-helixtrans-61.9-41.4176.7-74.7168.4000112.1C7 S14 L15C7-L11 VanDerWaalsContact O-CB 3.29Å; C7-L11 WeakPolarHBondContact O-CB 3.32Å; C7-L11 VanDerWaalsContact O-CG 3.26Å; C7-L11 WeakPolarHBondContact O-CG 3.26Å; C7-L11 PolarHBondContact O-N 3.27Å; L11-S14 PolarHBondContact O-N 2.87Å; L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.24Å; L11-L15 PolarHBondContact O-N 3.49Å
12A81.8Confident76.4Confident55 Ų55110 Ų11046%0.45556%0.559SS.*Hα-helixtrans-65.2-43.8176.500000111.5K8 V9 V10 L15 V16K8-A12 WeakPolarHBondContact O-CB 3.29Å; K8-A12 PolarHBondContact O-N 3.45Å; V9-A12 PolarHBondContact O-N 3.5Å; V10-A12 PolarHBondContact O-N 3.06Å; A12-L15 PolarHBondContact O-N 2.94Å; A12-V16 VanDerWaalsContact O-CG2 3.25Å; A12-V16 WeakPolarHBondContact O-CG2 3.43Å; A12-V16 PolarHBondContact O-N 3.41Å
13T84.6Confident77.6Confident67 Ų67106.4 Ų106.441%0.41155%0.55SS..Hα-helixtrans-66.9-40.7177.651.50000111.7V9 V10 L15 V16 W17V9-T13 HydrophobicContact CG1-CG2 4.32Å; V9-T13 WeakPolarHBondContact O-CB 3.37Å; V9-T13 WeakPolarHBondContact O-CG2 3.47Å; V9-T13 PolarHBondContact O-N 2.96Å; V9-T13 PolarHBondContact O-OG1 2.8Å; V10-T13 WeakPolarHBondContact CA-OG1 3.28Å; V10-T13 PolarHBondContact O-N 2.81Å; V10-T13 PolarHBondContact O-OG1 2.87Å; T13-L15 VanDerWaalsContact C-N 3.34Å; T13-V16 PolarHBondContact O-N 2.89Å; T13-W17 PolarHBondContact O-N 3.47Å
14S82.1Confident78.5Confident61 Ų61100.7 Ų100.743%0.42753%0.528SS..Hα-helixtrans-65.4-38.7175.4-64.90000111.5V10 L11 W17 V18V10-S14 WeakPolarHBondContact O-CB 3.35Å; V10-S14 PolarHBondContact O-N 3.29Å; V10-S14 PolarHBondContact O-OG 3.44Å; V10-S14 VanDerWaalsContact O-OG 3.06Å; L11-S14 PolarHBondContact O-N 2.87Å; S14-W17 PolarHBondContact O-N 2.83Å; S14-V18 WeakPolarHBondContact O-CB 3.37Å; S14-V18 VanDerWaalsContact O-CG2 3.26Å; S14-V18 WeakPolarHBondContact O-CG2 3.25Å; S14-V18 PolarHBondContact O-N 3.38Å
15L86.4Confident79.2Confident114 Ų11498.6 Ų98.660%0.59752%0.524SS*.Hα-helixtrans-65.7-39.6175.1-157.385.9000111.5L11 A12 T13 V18 L19L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.24Å; L11-L15 PolarHBondContact O-N 3.49Å; A12-L15 PolarHBondContact O-N 2.94Å; T13-L15 VanDerWaalsContact C-N 3.34Å; L15-V18 PolarHBondContact O-N 3.29Å; L15-L19 HydrophobicContact CD2-CD1 4.39Å; L15-L19 HydrophobicContact CG-CD1 4.35Å; L15-L19 WeakPolarHBondContact O-CB 3.37Å; L15-L19 VanDerWaalsContact O-CG 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 2.92Å
16V87.9Confident79.5Confident86 Ų8699.8 Ų99.852%0.52152%0.522SS..Hα-helixtrans-62.6-45.8174.8169.30000110.7A12 T13 L19 L20A12-V16 VanDerWaalsContact O-CG2 3.25Å; A12-V16 WeakPolarHBondContact O-CG2 3.43Å; A12-V16 PolarHBondContact O-N 3.41Å; T13-V16 PolarHBondContact O-N 2.89Å; V16-L19 PolarHBondContact O-N 3.35Å; V16-L20 VanDerWaalsContact O-CB 3.29Å; V16-L20 WeakPolarHBondContact O-CB 3.47Å; V16-L20 PolarHBondContact O-N 2.9Å
17W84.6Confident79.5Confident164 Ų16498.2 Ų98.262%0.62152%0.516SS*.Hα-helixtrans-64-41.1176.6-79.3110.1000112.5T13 S14 L19 L20 D21T13-W17 PolarHBondContact O-N 3.47Å; S14-W17 PolarHBondContact O-N 2.83Å; W17-L19 PolarHBondContact O-N 3.25Å; W17-L20 PolarHBondContact O-N 3.31Å; W17-D21 WeakPolarHBondContact O-CB 3.29Å; W17-D21 PolarHBondContact O-N 2.86Å
18V87.5Confident79Confident91 Ų91101.2 Ų101.255%0.55252%0.521SS*.Hα-helixtrans-63.7-40.5175169.30000111.6S14 L15 M22S14-V18 WeakPolarHBondContact O-CB 3.37Å; S14-V18 VanDerWaalsContact O-CG2 3.26Å; S14-V18 WeakPolarHBondContact O-CG2 3.25Å; S14-V18 PolarHBondContact O-N 3.38Å; L15-V18 PolarHBondContact O-N 3.29Å; V18-M22 WeakPolarHBondContact O-CB 3.42Å; V18-M22 PolarHBondContact O-N 3.32Å
19L84.4Confident78.1Confident104 Ų10497.8 Ų97.855%0.54552%0.516SS..Hα-helixtrans-68.7-34.7176.2-73.5169.1000112L15 V16 W17 F23L15-L19 HydrophobicContact CD2-CD1 4.39Å; L15-L19 HydrophobicContact CG-CD1 4.35Å; L15-L19 WeakPolarHBondContact O-CB 3.37Å; L15-L19 VanDerWaalsContact O-CG 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.26Å; L15-L19 PolarHBondContact O-N 2.92Å; V16-L19 PolarHBondContact O-N 3.35Å; W17-L19 PolarHBondContact O-N 3.25Å; L19-F23 VanDerWaalsContact O-CB 3.22Å; L19-F23 WeakPolarHBondContact O-CB 3.22Å; L19-F23 PolarHBondContact O-N 2.81Å
20L85.8Confident76.4Confident79 Ų79100.1 Ų100.141%0.41452%0.521SS..Hα-helixtrans-72.2-39.9177.6-151.9150.6000111V16 W17 F23 L24V16-L20 VanDerWaalsContact O-CB 3.29Å; V16-L20 WeakPolarHBondContact O-CB 3.47Å; V16-L20 PolarHBondContact O-N 2.9Å; W17-L20 PolarHBondContact O-N 3.31Å; L20-F23 PolarHBondContact O-N 2.84Å; L20-L24 HydrophobicContact CD2-CD1 3.74Å; L20-L24 HydrophobicContact CD2-CG 4.26Å; L20-L24 WeakPolarHBondContact O-CB 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.21Å; L20-L24 PolarHBondContact O-N 2.81Å
21D79.5Confident74.5Confident85 Ų85100.4 Ų100.446%0.45553%0.526SS..Hα-helixtrans-66.9-40.8171.6-76.2-16.8000111.5W17 F23 L24 L25W17-D21 WeakPolarHBondContact O-CB 3.29Å; W17-D21 PolarHBondContact O-N 2.86Å; D21-F23 VanDerWaalsContact C-N 3.33Å; D21-L24 PolarHBondContact O-N 2.79Å; D21-L25 VanDerWaalsContact O-CB 3.27Å; D21-L25 WeakPolarHBondContact O-CB 3.34Å; D21-L25 VanDerWaalsContact O-CG 3.25Å; D21-L25 WeakPolarHBondContact O-CG 3.36Å; D21-L25 PolarHBondContact O-N 2.79Å
22M79.4Confident72.7Confident100 Ų100101.9 Ų101.949%0.49353%0.534SS..Hα-helixtrans-63.9-39.2172.2-108.7-150.470.700111.7V18 L25 L26V18-M22 WeakPolarHBondContact O-CB 3.42Å; V18-M22 PolarHBondContact O-N 3.32Å; M22-L25 PolarHBondContact O-N 2.74Å; M22-L26 HydrophobicContact CE-CD1 3.48Å; M22-L26 VanDerWaalsContact CE-CD1 3.48Å; M22-L26 HydrophobicContact CE-CG 4Å; M22-L26 VanDerWaalsContact O-CB 3.26Å; M22-L26 WeakPolarHBondContact O-CB 3.23Å; M22-L26 VanDerWaalsContact O-CG 3.23Å; M22-L26 WeakPolarHBondContact O-CG 3.26Å; M22-L26 PolarHBondContact O-N 3.45Å
23F80.3Confident70.9Confident141 Ų141107.6 Ų107.662%0.61855%0.549SS*.Hα-helixtrans-68-40.5176.7-172.6-93.9000111.1L19 L20 D21 L26 Y27L19-F23 VanDerWaalsContact O-CB 3.22Å; L19-F23 WeakPolarHBondContact O-CB 3.22Å; L19-F23 PolarHBondContact O-N 2.81Å; L20-F23 PolarHBondContact O-N 2.84Å; D21-F23 VanDerWaalsContact C-N 3.33Å; F23-L26 PolarHBondContact O-N 2.74Å; F23-Y27 WeakPolarHBondContact O-CA 3.25Å; F23-Y27 WeakPolarHBondContact O-CB 3.05Å; F23-Y27 PolarHBondContact O-N 2.76Å
24L73.8Confident68.4Low73 Ų73109.3 Ų109.338%0.38256%0.563SS.*Hα-helixtrans-65.3-43.2173.1-77.4168.2000111.3L20 D21 Y27 F28L20-L24 HydrophobicContact CD2-CD1 3.74Å; L20-L24 HydrophobicContact CD2-CG 4.26Å; L20-L24 WeakPolarHBondContact O-CB 3.27Å; L20-L24 WeakPolarHBondContact O-CG 3.21Å; L20-L24 PolarHBondContact O-N 2.81Å; D21-L24 PolarHBondContact O-N 2.79Å; L24-Y27 PolarHBondContact O-N 2.81Å; L24-F28 HydrophobicContact CD2-CD2 4.49Å; L24-F28 HydrophobicContact CD2-CE2 4.13Å; L24-F28 WeakPolarHBondContact O-CB 3.39Å; L24-F28 VanDerWaalsContact O-CD2 3.27Å; L24-F28 WeakPolarHBondContact O-CD2 3.31Å; L24-F28 PolarHBondContact O-N 3.39Å
25L71Confident66Low122 Ų122114.7 Ų114.764%0.63959%0.587SS**Hα-helixtrans-65.1-41.1176.3-76.7168.7000111.7D21 M22 S29D21-L25 VanDerWaalsContact O-CB 3.27Å; D21-L25 WeakPolarHBondContact O-CB 3.34Å; D21-L25 VanDerWaalsContact O-CG 3.25Å; D21-L25 WeakPolarHBondContact O-CG 3.36Å; D21-L25 PolarHBondContact O-N 2.79Å; M22-L25 PolarHBondContact O-N 2.74Å; L25-S29 WeakPolarHBondContact O-CA 3.31Å; L25-S29 WeakPolarHBondContact O-CB 3.48Å; L25-S29 PolarHBondContact O-N 3.36Å
26L69.1Low63.7Low79 Ų79117.3 Ų117.341%0.41460%0.596SS.*Hα-helixtrans-68.1-41.8173.4-74.3173000111.3M22 F23 S29 E30M22-L26 HydrophobicContact CE-CD1 3.48Å; M22-L26 VanDerWaalsContact CE-CD1 3.48Å; M22-L26 HydrophobicContact CE-CG 4Å; M22-L26 VanDerWaalsContact O-CB 3.26Å; M22-L26 WeakPolarHBondContact O-CB 3.23Å; M22-L26 VanDerWaalsContact O-CG 3.23Å; M22-L26 WeakPolarHBondContact O-CG 3.26Å; M22-L26 PolarHBondContact O-N 3.45Å; F23-L26 PolarHBondContact O-N 2.74Å; L26-S29 PolarHBondContact O-N 3.31Å; L26-E30 WeakPolarHBondContact O-CB 2.88Å; L26-E30 VanDerWaalsContact O-CG 3.31Å; L26-E30 WeakPolarHBondContact O-CG 3.38Å; L26-E30 PolarHBondContact O-N 3.48Å
27Y68.9Low60.9Low136 Ų136122.7 Ų122.753%0.53361%0.612SS.*Hα-helixtrans-61.9-45.3176.9-175.8-101.2000111.5F23 L24 C31F23-Y27 WeakPolarHBondContact O-CA 3.25Å; F23-Y27 WeakPolarHBondContact O-CB 3.05Å; F23-Y27 PolarHBondContact O-N 2.76Å; L24-Y27 PolarHBondContact O-N 2.81Å; Y27-C31 VanDerWaalsContact O-CB 3.31Å; Y27-C31 WeakPolarHBondContact O-CB 3.27Å; Y27-C31 PolarHBondContact O-N 2.93Å
28F57.4Low58.4Low134 Ų134124.3 Ų124.359%0.58862%0.624SS**Hα-helixtrans-78.9-24.1176-79.1-75.1000113.6L24L24-F28 HydrophobicContact CD2-CD2 4.49Å; L24-F28 HydrophobicContact CD2-CE2 4.13Å; L24-F28 WeakPolarHBondContact O-CB 3.39Å; L24-F28 VanDerWaalsContact O-CD2 3.27Å; L24-F28 WeakPolarHBondContact O-CD2 3.31Å; L24-F28 PolarHBondContact O-N 3.39Å
29S54.4Low55.6Low77 Ų77129 Ų12954%0.53864%0.64SS.*Hα-helixtrans-77.3-32172.4178.60000112.2L25 L26L25-S29 WeakPolarHBondContact O-CA 3.31Å; L25-S29 WeakPolarHBondContact O-CB 3.48Å; L25-S29 PolarHBondContact O-N 3.36Å; L26-S29 PolarHBondContact O-N 3.31Å
30E44.4Very low53Low136 Ų136136 Ų13664%0.63666%0.659SS**Hα-helixtrans-83.8-24.8173.8-70.5-176.8167.100111.3L26 N32 K33L26-E30 WeakPolarHBondContact O-CB 2.88Å; L26-E30 VanDerWaalsContact O-CG 3.31Å; L26-E30 WeakPolarHBondContact O-CG 3.38Å; L26-E30 PolarHBondContact O-N 3.48Å; E30-N32 PolarHBondContact O-N 2.96Å; E30-K33 CarbonylContact O-C 3.41Å; E30-K33 PolarHBondContact O-N 3.19Å; E30-K33 VanDerWaalsContact O-O 3.04Å
31C42.1Very low50.2Low90 Ų90135.3 Ų135.361%0.60867%0.67SS**THydrogen-bonded Turntrans-66.7-12.5168.2-132.70000113.7Y27 K33Y27-C31 VanDerWaalsContact O-CB 3.31Å; Y27-C31 WeakPolarHBondContact O-CB 3.27Å; Y27-C31 PolarHBondContact O-N 2.93Å; C31-K33 VanDerWaalsContact C-N 3.32Å
32N42Very low47.8Very low145 Ų145139 Ų13978%0.77569%0.69SS**THydrogen-bonded Turntrans-86.21.2169.8-92.5-22.5000113.3E30E30-N32 PolarHBondContact O-N 2.96Å
33K42.3Very low45.6Very low175 Ų175139.6 Ų139.676%0.76170%0.701SS**SBendtrans-140.598.2173.3-76.8-176177.4174.60110.8E30 C31E30-K33 CarbonylContact O-C 3.41Å; E30-K33 PolarHBondContact O-N 3.19Å; E30-K33 VanDerWaalsContact O-O 3.04Å; C31-K33 VanDerWaalsContact C-N 3.32Å
34C32.6Very low43.4Very low104 Ų104137.9 Ų137.970%0.70371%0.712SS**  trans92.385161.8-53.60000117.5
35D31.3Very low41.3Very low174 Ų174136.8 Ų136.893%0.9372%0.719SS**  -104.763129.1-122.1-17.6000108.3
36E38.7Very low39.6Very low168 Ų168138.9 Ų138.979%0.78573%0.731SS**  trans-97.688.1163.5-84.7-16915500108.1
37K29.5Very low37.8Very low199 Ų199140.3 Ų140.387%0.86574%0.743SS**SBendtrans-165113.9138.3-109.5163.6-171.4173.80113.7
38K32.9Very low36.1Very low199 Ų199139.1 Ų139.187%0.86575%0.751SS**  trans80.653.2159.8-69.7-175.6175.6176.30117.5
39E27.7Very low35.1Very low189 Ų189140.7 Ų140.788%0.88376%0.761SS**  trans-96.4127.1131.9-69.4-16915800107.8G41E39-G41 PolarHBondContact O-N 2.82Å
40R30.6Very low34.1Very low251 Ų251141.7 Ų141.795%0.94777%0.766SS**  trans-72.572.4171.7-74.8178.6179.7167.4-0.4108L42R40-L42 PolarHBondContact O-N 3.31Å
41G26Very low33.8Very low64 Ų64142.7 Ų142.766%0.6677%0.773SS**PPolyproline II helixtrans-59.8119.3151.500000106.7E39E39-G41 PolarHBondContact O-N 2.82Å
42L28.6Very low33.8Very low164 Ų164144.9 Ų144.986%0.85978%0.775SS**PPolyproline II helixtrans-53.2133.9167.4-76157.2000107.3R40 A44R40-L42 PolarHBondContact O-N 3.31Å; L42-A44 PolarHBondContact O-N 3.31Å
43P33.4Very low33.7Very low112 Ų112146.5 Ų146.573%0.72778%0.775SS**PPolyproline II helixtrans-57.4136.5175.624.8-31.1000108G45P43-G45 PolarHBondContact O-N 3.08Å
44A35.6Very low34.1Very low104 Ų104142.4 Ų142.486%0.8677%0.766SS**  trans-55.79015100000105.8L42 D46L42-A44 PolarHBondContact O-N 3.31Å; A44-D46 PolarHBondContact O-N 2.74Å; A44-D46 VanDerWaalsContact O-N 3.08Å
45G29.4Very low35.5Very low51 Ų51142.3 Ų142.353%0.52676%0.755SS.*  trans-68.1104.6167.400000105.6P43 V47P43-G45 PolarHBondContact O-N 3.08Å; G45-V47 PolarHBondContact O-N 2.8Å
46D35.1Very low37.9Very low166 Ų166143.3 Ų143.389%0.88875%0.754SS**  trans-61.261.6140-74.3-37.1000108.3A44A44-D46 PolarHBondContact O-N 2.74Å; A44-D46 VanDerWaalsContact O-N 3.08Å
47V31.9Very low40.4Very low109 Ų109137.4 Ų137.466%0.66174%0.738SS**  trans-91.7118.3142-175.50000100.4G45 E49G45-V47 PolarHBondContact O-N 2.8Å; V47-E49 PolarHBondContact O-N 2.75Å
48P32.9Very low43.5Very low110 Ų110131 Ų13171%0.71472%0.717SS**  trans-54.7106.6155.3-215.2000102.9P50P48-P50 VanDerWaalsContact C-N 3.32Å; P48-P50 WeakPolarHBondContact O-CD 3.46Å
49E36.2Very low46.5Very low167 Ų167121.7 Ų121.778%0.7868%0.678SS**  trans-42.3119.7146.3-86.9-167.3160.500101.9V47 I51V47-E49 PolarHBondContact O-N 2.75Å; E49-I51 VanDerWaalsContact C-N 3.3Å; E49-I51 PolarHBondContact O-N 2.7Å
50P32.5Very low49.8Very low99 Ų99114 Ų11464%0.64364%0.642SS**  trans-51.6117.8176.922.8-29.9000101.9P48 Q52P48-P50 VanDerWaalsContact C-N 3.32Å; P48-P50 WeakPolarHBondContact O-CD 3.46Å; P50-Q52 PolarHBondContact O-N 2.65Å
51I38.9Very low53Low156 Ų156106.3 Ų106.380%0.862%0.618SS**  trans-50.998162.9-66.5169.800099.6E49 K53E49-I51 VanDerWaalsContact C-N 3.3Å; E49-I51 PolarHBondContact O-N 2.7Å; I51-K53 PolarHBondContact O-N 3.29Å
52Q41.7Very low56.3Low137 Ų137103.4 Ų103.464%0.6459%0.588SS**  trans-62.5103.1175.4-92.3-176.9-13.90098P50P50-Q52 PolarHBondContact O-N 2.65Å
53K40Very low59.6Low179 Ų179102.3 Ų102.378%0.77858%0.576SS**  trans-39.5125.1167.3-74.5-176.1174.9-175.80103.5I51 H55I51-K53 PolarHBondContact O-N 3.29Å; K53-H55 PolarHBondContact O-N 3.21Å
54P51Low62.7Low88 Ų8899.8 Ų99.857%0.57156%0.56SS**  trans-42.3123.6-176.6-2022.1000105.9E56P54-E56 PolarHBondContact O-N 3.33Å
55H60.7Low65.6Low103 Ų10395.2 Ų95.248%0.47752%0.521SS..  trans-61.596.2-176.4-108.9-70.5000105.3K53 G57 E60K53-H55 PolarHBondContact O-N 3.21Å; H55-G57 PolarHBondContact O-N 3.46Å; H55-E60 WeakPolarHBondContact O-CB 3.48Å; H55-E60 WeakPolarHBondContact O-CG 3.29Å
56E81.7Confident68.7Low194 Ų19498.7 Ų98.791%0.90753%0.532SS*.  trans-65.9113.2-176.4-74.7-174.4176.200105.9P54P54-E56 PolarHBondContact O-N 3.33Å
57G91.3Very high71.5Confident44 Ų4491.1 Ų91.145%0.45449%0.492SS..SBendtrans-177.2163.8-172.700000112.4H55 G59 E60H55-G57 PolarHBondContact O-N 3.46Å; G57-G59 PolarHBondContact O-N 3.33Å; G57-E60 PolarHBondContact O-N 3.37Å
58P95.8Very high74.5Confident64 Ų6488.9 Ų88.942%0.41648%0.479SS..THydrogen-bonded Turntrans-55.9130.5176.4-24.234.8000111.5E60 V65 L91P58-E60 VanDerWaalsContact C-N 3.28Å; P58-E60 PolarHBondContact O-N 2.72Å; P58-V65 HydrophobicContact CB-CG1 4.28Å; P58-V65 HydrophobicContact CB-CG2 3.8Å; P58-L91 HydrophobicContact CB-CB 4.18Å; P58-L91 HydrophobicContact CG-CB 4.29Å
59G96.4Very high77.4Confident4 Ų492.6 Ų92.64%0.04148%0.484CS..THydrogen-bonded Turntrans76.6517300000116.4G57 G62 K63 V65 R96G57-G59 PolarHBondContact O-N 3.33Å; G59-G62 PolarHBondContact O-N 3.36Å; G59-G62 VanDerWaalsContact O-N 3.15Å; G59-K63 WeakPolarHBondContact CA-O 3.44Å; G59-V65 VanDerWaalsContact N-CG2 3.33Å; G59-R96 PolarHBondContact O-NH1 3.3Å; G59-R96 VanDerWaalsContact O-NH1 3.14Å
60E97.1Very high80.3Confident28 Ų2892.5 Ų92.513%0.13148%0.484CS..G310 helixtrans-61.5143.7175.1-172.368.3-177.100111.2H55 G57 P58 G62 K63 R96 S97H55-E60 WeakPolarHBondContact O-CB 3.48Å; H55-E60 WeakPolarHBondContact O-CG 3.29Å; G57-E60 PolarHBondContact O-N 3.37Å; P58-E60 VanDerWaalsContact C-N 3.28Å; P58-E60 PolarHBondContact O-N 2.72Å; E60-G62 PolarHBondContact O-N 2.93Å; E60-K63 WeakPolarHBondContact O-CB 3.29Å; E60-K63 WeakPolarHBondContact O-CG 3.48Å; E60-K63 PolarHBondContact O-N 2.58Å; E60-R96 WeakPolarHBondContact OE2-CA 3.36Å; E60-S97 WeakPolarHBondContact OE1-CB 3.02Å; E60-S97 PolarHBondContact OE1-OG 3.44Å; E60-S97 PolarHBondContact OE2-N 2.04Å; E60-S97 PolarHBondContact OE2-OG 2.66Å
61M96.3Very high83.2Confident89 Ų8991.6 Ų91.644%0.43847%0.471SS..G310 helixtrans5529.9-171-65.3-62.7-61.500112.9K63 S97 P99M61-K63 PolarHBondContact O-N 3.31Å; M61-S97 WeakPolarHBondContact CA-O 3.49Å; M61-S97 PolarHBondContact N-O 3.11Å; M61-S97 VanDerWaalsContact N-O 3.09Å; M61-S97 PolarHBondContact N-OG 3.17Å; M61-S97 PolarHBondContact SD-OG 3.11Å; M61-P99 HydrophobicContact CE-CB 4.35Å; M61-P99 WeakPolarHBondContact O-CD 3.05Å
62G96.7Very high85.8Confident4 Ų487 Ų874%0.04145%0.446CS..G310 helixtrans66.817.7179.200000115G59 E60 S97 E247 Y248G59-G62 PolarHBondContact O-N 3.36Å; G59-G62 VanDerWaalsContact O-N 3.15Å; E60-G62 PolarHBondContact O-N 2.93Å; G62-S97 PolarHBondContact N-O 2.58Å; G62-E247 CarbonylContact O-C 3.55Å; G62-E247 WeakPolarHBondContact O-CA 3.2Å; G62-Y248 PolarHBondContact O-N 2.98Å
63K97.5Very high88.3Confident141 Ų14186.3 Ų86.361%0.61344%0.443SS*.PPolyproline II helixtrans-66.1153.1179.4-71176.6-178.7176.50112.2G59 E60 M61G59-K63 WeakPolarHBondContact CA-O 3.44Å; E60-K63 WeakPolarHBondContact O-CB 3.29Å; E60-K63 WeakPolarHBondContact O-CG 3.48Å; E60-K63 PolarHBondContact O-N 2.58Å; M61-K63 PolarHBondContact O-N 3.31Å
64P97.7Very high90.9Very high58 Ų5883.9 Ų83.938%0.37743%0.432SS..PPolyproline II helixtrans-64.5139.6174.825.7-33.4000111.6T245 E247P64-T245 HydrophobicContact CB-CG2 4.32Å; P64-E247 HydrophobicContact CB-CB 4.01Å; P64-E247 HydrophobicContact CB-CG 4.46Å
65V96.9Very high93Very high9 Ų980.3 Ų80.36%0.05541%0.408CS..PPolyproline II helixtrans-97.9122.1168.9177.20000109.2P58 G59 I67 A88 L91 I92 T245P58-V65 HydrophobicContact CB-CG1 4.28Å; P58-V65 HydrophobicContact CB-CG2 3.8Å; G59-V65 VanDerWaalsContact N-CG2 3.33Å; V65-I67 HydrophobicContact CG1-CD1 4.2Å; V65-A88 HydrophobicContact CB-CB 4.15Å; V65-A88 HydrophobicContact CG1-CB 4.1Å; V65-L91 HydrophobicContact CG1-CD1 4.27Å; V65-I92 HydrophobicContact CB-CD1 4.46Å; V65-I92 HydrophobicContact CG2-CD1 3.64Å; V65-I92 HydrophobicContact CG2-CG1 3.62Å; V65-T245 PolarHBondContact N-O 2.94Å
66V94.7Very high94.6Very high123 Ų12380.1 Ų80.175%0.74541%0.406SS*.PPolyproline II helixtrans-100.7121.8178.2-1780000109
67I94.8Very high95.2Very high8 Ų876 Ų764%0.04139%0.386CS..PPolyproline II helixtrans-81130.4176.6-57.2-53.9000109.9V65 E71 Q72 M75 M87 A88 L91V65-I67 HydrophobicContact CG1-CD1 4.2Å; I67-E71 HydrophobicContact CG2-CB 3.79Å; I67-Q72 PolarHBondContact O-NE2 3.09Å; I67-M75 HydrophobicContact CG1-CG 4.17Å; I67-M75 HydrophobicContact CG2-CB 4.21Å; I67-M87 HydrophobicContact CD1-CB 4.42Å; I67-M87 HydrophobicContact CD1-CG 3.98Å; I67-M87 HydrophobicContact CD1-SD 4.07Å; I67-M87 HydrophobicContact CG1-SD 4.35Å; I67-M87 HydrophobicContact CG2-SD 3.55Å; I67-M87 VanDerWaalsContact CG2-SD 3.55Å; I67-A88 HydrophobicContact CD1-CB 4.16Å; I67-L91 HydrophobicContact CD1-CD1 3.92Å
68P94.2Very high95.3Very high61 Ų6175.2 Ų75.240%0.39637%0.371SS..PPolyproline II helixtrans-53.4150176.5-25.234000112.7E70 E71 Q72P68-E70 VanDerWaalsContact CB-OE2 3.24Å; P68-E70 WeakPolarHBondContact CB-OE2 3.48Å; P68-E70 PolarHBondContact O-N 3.26Å; P68-E71 PolarHBondContact O-N 3.42Å; P68-Q72 PolarHBondContact O-N 2.6Å
69K93.9Very high95.2Very high188 Ų18874 Ų7482%0.81736%0.36SS*.G310 helixtrans-60.4-32.9-175.4-73-174.7179.8179.20112.2E71 Q72K69-E71 PolarHBondContact O-N 3.29Å; K69-Q72 WeakPolarHBondContact O-CB 3.28Å; K69-Q72 PolarHBondContact O-N 2.79Å
70E95.9Very high95.1Very high166 Ų16679.5 Ų79.578%0.77638%0.382SS*.G310 helixtrans-66.7-25.3-179.8-54.477.6-163.900112.4P68P68-E70 VanDerWaalsContact CB-OE2 3.24Å; P68-E70 WeakPolarHBondContact CB-OE2 3.48Å; P68-E70 PolarHBondContact O-N 3.26Å
71E94.6Very high94.8Very high79 Ų7982 Ų8237%0.36940%0.396SS..G310 helixtrans-101.21.4-177.8-66.2-161.5-124.800113.7I67 P68 K69 E73 K74 M75 M87I67-E71 HydrophobicContact CG2-CB 3.79Å; P68-E71 PolarHBondContact O-N 3.42Å; K69-E71 PolarHBondContact O-N 3.29Å; E71-E73 PolarHBondContact O-N 2.88Å; E71-K74 PolarHBondContact O-N 2.83Å; E71-M75 WeakPolarHBondContact O-CB 3.1Å; E71-M75 PolarHBondContact O-N 3.26Å; E71-M87 HydrophobicContact CB-CE 4.26Å; E71-M87 HydrophobicContact CB-SD 3.98Å
72Q92.9Very high94.7Very high61 Ų6177.8 Ų77.829%0.28538%0.375SS..Hα-helixtrans-60.6-38.9-175.7-75.7-70.4-21.400113.6I67 P68 K69 M75 K76I67-Q72 PolarHBondContact O-NE2 3.09Å; P68-Q72 PolarHBondContact O-N 2.6Å; K69-Q72 WeakPolarHBondContact O-CB 3.28Å; K69-Q72 PolarHBondContact O-N 2.79Å; Q72-M75 WeakPolarHBondContact O-CB 3.39Å; Q72-M75 PolarHBondContact O-N 3.23Å; Q72-K76 WeakPolarHBondContact O-CG 3.45Å; Q72-K76 PolarHBondContact O-N 3.38Å
73E94.1Very high94.6Very high121 Ų12179.9 Ų79.957%0.56538%0.384SS*.Hα-helixtrans-68.2-41.7178-67.8-54.7126.300111.7E71 M75 K76 E77E71-E73 PolarHBondContact O-N 2.88Å; E73-M75 VanDerWaalsContact C-N 3.33Å; E73-M75 PolarHBondContact O-N 2.83Å; E73-K76 PolarHBondContact O-N 2.75Å; E73-K76 IonicContact OE1-NZ 2.86Å; E73-K76 PolarHBondContact OE1-NZ 2.72Å; E73-E77 PolarHBondContact O-N 2.7Å; E73-E77 VanDerWaalsContact O-N 3.16Å
74K94.8Very high94.5Very high128 Ų12873.1 Ų73.156%0.55735%0.354SS*.Hα-helixtrans-63.9-40.5174.4-176.1-176172.8-163.10111.3E71 E77 M78 M87E71-K74 PolarHBondContact O-N 2.83Å; K74-E77 PolarHBondContact O-N 2.94Å; K74-M78 HydrophobicContact CG-SD 4.29Å; K74-M78 WeakPolarHBondContact O-CG 3.31Å; K74-M78 PolarHBondContact O-N 3.12Å; K74-M87 HydrophobicContact CB-CE 3.9Å; K74-M87 HydrophobicContact CD-CE 3.62Å; K74-M87 HydrophobicContact CG-CE 3.62Å
75M94.6Very high94.5Very high13 Ų1370.5 Ų70.56%0.06434%0.337CS..Hα-helixtrans-58.3-47.6174.7-179.7-77.7-69.700111.4I67 E71 Q72 E73 E77 M78 F79 N85 M87I67-M75 HydrophobicContact CG1-CG 4.17Å; I67-M75 HydrophobicContact CG2-CB 4.21Å; E71-M75 WeakPolarHBondContact O-CB 3.1Å; E71-M75 PolarHBondContact O-N 3.26Å; Q72-M75 WeakPolarHBondContact O-CB 3.39Å; Q72-M75 PolarHBondContact O-N 3.23Å; E73-M75 VanDerWaalsContact C-N 3.33Å; E73-M75 PolarHBondContact O-N 2.83Å; M75-E77 VanDerWaalsContact C-N 3.32Å; M75-E77 PolarHBondContact O-N 3.18Å; M75-M78 CarbonylContact O-C 3.36Å; M75-M78 PolarHBondContact O-N 3.15Å; M75-M78 VanDerWaalsContact O-N 3.17Å; M75-F79 WeakPolarHBondContact O-CB 3.26Å; M75-F79 PolarHBondContact O-N 2.93Å; M75-F79 HydrophobicContact SD-CB 4.46Å; M75-F79 HydrophobicContact SD-CD2 4.46Å; M75-N85 VanDerWaalsContact CG-OD1 3.3Å; M75-N85 WeakPolarHBondContact CG-OD1 3.48Å; M75-M87 HydrophobicContact CB-CE 4.27Å; M75-M87 HydrophobicContact CB-SD 4.16Å
76K94.1Very high94.4Very high100 Ų10070.7 Ų70.744%0.43534%0.338SS..Hα-helixtrans-60-39.5178-72171.4-171.3167.50112.7Q72 E73 F79Q72-K76 WeakPolarHBondContact O-CG 3.45Å; Q72-K76 PolarHBondContact O-N 3.38Å; E73-K76 PolarHBondContact O-N 2.75Å; E73-K76 IonicContact OE1-NZ 2.86Å; E73-K76 PolarHBondContact OE1-NZ 2.72Å; K76-F79 WeakPolarHBondContact O-CB 3.44Å; K76-F79 PolarHBondContact O-N 3.24Å
77E94.2Very high94.5Very high106 Ų10665.3 Ų65.350%0.49531%0.305SS..Hα-helixtrans-66.9-43.5175-69.1-52.113300111.7E73 K74 M75 F79 K80E73-E77 PolarHBondContact O-N 2.7Å; E73-E77 VanDerWaalsContact O-N 3.16Å; K74-E77 PolarHBondContact O-N 2.94Å; M75-E77 VanDerWaalsContact C-N 3.32Å; M75-E77 PolarHBondContact O-N 3.18Å; E77-F79 VanDerWaalsContact C-N 3.29Å; E77-F79 PolarHBondContact O-N 3.24Å; E77-K80 PolarHBondContact O-N 3.48Å; E77-K80 IonicContact OE1-NZ 3.63Å; E77-K80 PolarHBondContact OE1-NZ 2.98Å; E77-K80 IonicContact OE2-NZ 2.66Å; E77-K80 PolarHBondContact OE2-NZ 3.35Å
78M94.5Very high94.6Very high28 Ų2864.9 Ų64.914%0.13830%0.303CS..Hα-helixtrans-64.8-32.5175.6-70.5-178.169.300112.6K74 M75 K80 I81 L86 M87K74-M78 HydrophobicContact CG-SD 4.29Å; K74-M78 WeakPolarHBondContact O-CG 3.31Å; K74-M78 PolarHBondContact O-N 3.12Å; M75-M78 CarbonylContact O-C 3.36Å; M75-M78 PolarHBondContact O-N 3.15Å; M75-M78 VanDerWaalsContact O-N 3.17Å; M78-K80 VanDerWaalsContact C-N 3.27Å; M78-K80 PolarHBondContact O-N 3.23Å; M78-I81 WeakPolarHBondContact O-CB 3.29Å; M78-I81 WeakPolarHBondContact O-CG1 3.5Å; M78-I81 PolarHBondContact O-N 3.41Å; M78-L86 HydrophobicContact CB-CB 4.3Å; M78-L86 HydrophobicContact CE-CB 4.1Å; M78-L86 HydrophobicContact CE-CD2 3.8Å; M78-L86 HydrophobicContact CE-CG 3.75Å; M78-M87 HydrophobicContact CE-CB 4.34Å; M78-M87 HydrophobicContact SD-CB 4.15Å; M78-M87 HydrophobicContact SD-CE 3.85Å
79F94.3Very high94.8Very high40 Ų4062 Ų6218%0.17528%0.284CS..Hα-helixtrans-58.8-39.4177.6-168-76.9000111.6M75 K76 E77 I81 N82 Q83 F84 N85 D243M75-F79 WeakPolarHBondContact O-CB 3.26Å; M75-F79 PolarHBondContact O-N 2.93Å; M75-F79 HydrophobicContact SD-CB 4.46Å; M75-F79 HydrophobicContact SD-CD2 4.46Å; K76-F79 WeakPolarHBondContact O-CB 3.44Å; K76-F79 PolarHBondContact O-N 3.24Å; E77-F79 VanDerWaalsContact C-N 3.29Å; E77-F79 PolarHBondContact O-N 3.24Å; F79-I81 PolarHBondContact O-N 2.88Å; F79-I81 VanDerWaalsContact O-N 3.15Å; F79-N82 PolarHBondContact O-N 3.44Å; F79-Q83 WeakPolarHBondContact O-CA 3.41Å; F79-Q83 PolarHBondContact O-N 3.2Å; F79-F84 WeakPolarHBondContact CA-O 3.3Å; F79-N85 HydrophobicContact CD2-CB 4.26Å; F79-D243 WeakPolarHBondContact CE2-O 3.35Å
80K92.6Very high94.9Very high119 Ų11958.8 Ų58.852%0.51727%0.271SS..Hα-helixtrans-61.2-26.1-178.4-65.1171.4-170.7165.90113.2E77 M78 Q83E77-K80 PolarHBondContact O-N 3.48Å; E77-K80 IonicContact OE1-NZ 3.63Å; E77-K80 PolarHBondContact OE1-NZ 2.98Å; E77-K80 IonicContact OE2-NZ 2.66Å; E77-K80 PolarHBondContact OE2-NZ 3.35Å; M78-K80 VanDerWaalsContact C-N 3.27Å; M78-K80 PolarHBondContact O-N 3.23Å; K80-Q83 PolarHBondContact O-NE2 3.45Å
81I92.1Very high94.9Very high80 Ų8055.3 Ų55.341%0.4126%0.258SS..Hα-helixtrans-69.3-40-173-56.8176.1000112.2M78 F79 R160M78-I81 WeakPolarHBondContact O-CB 3.29Å; M78-I81 WeakPolarHBondContact O-CG1 3.5Å; M78-I81 PolarHBondContact O-N 3.41Å; F79-I81 PolarHBondContact O-N 2.88Å; F79-I81 VanDerWaalsContact O-N 3.15Å; I81-R160 PolarHBondContact O-NH2 3.23Å; I81-R160 VanDerWaalsContact O-NH2 3.16Å
82N93.1Very high95Very high1 Ų151.8 Ų51.81%0.00524%0.242CC..Hα-helixtrans-127.7-0.7-177.9-76.288.3000113.7F79 F84 N126 E127 A128 R160 R347F79-N82 PolarHBondContact O-N 3.44Å; N82-F84 VanDerWaalsContact C-N 3.31Å; N82-F84 HydrophobicContact CB-CD1 3.9Å; N82-F84 HydrophobicContact CB-CD2 4.45Å; N82-F84 HydrophobicContact CB-CE1 3.43Å; N82-F84 VanDerWaalsContact CB-CE1 3.43Å; N82-F84 HydrophobicContact CB-CE2 4.01Å; N82-F84 HydrophobicContact CB-CG 4.4Å; N82-F84 HydrophobicContact CB-CZ 3.48Å; N82-F84 VanDerWaalsContact CB-CZ 3.48Å; N82-F84 WeakPolarHBondContact O-CD1 3.31Å; N82-N126 PolarHBondContact ND2-O 3.07Å; N82-N126 VanDerWaalsContact ND2-O 3.16Å; N82-E127 PolarHBondContact ND2-OE1 2.81Å; N82-A128 PolarHBondContact ND2-N 3.11Å; N82-R160 PolarHBondContact OD1-NH1 3.18Å; N82-R160 PolarHBondContact OD1-NH2 2.84Å; N82-R347 WeakPolarHBondContact O-CD 3.1Å; N82-R347 PolarHBondContact O-NE 3.38Å
83Q95.4Very high95.3Very high47 Ų4750.9 Ų50.922%0.2224%0.244CC..THydrogen-bonded Turntrans61.735.9-176.1-56.4-67.2-53.600113.3F79 K80 R347 A349 P351F79-Q83 WeakPolarHBondContact O-CA 3.41Å; F79-Q83 PolarHBondContact O-N 3.2Å; K80-Q83 PolarHBondContact O-NE2 3.45Å; Q83-R347 HydrophobicContact CB-CB 4.38Å; Q83-A349 WeakPolarHBondContact CB-O 3.38Å; Q83-A349 HydrophobicContact CG-CB 4.48Å; Q83-P351 HydrophobicContact CG-CB 3.86Å; Q83-P351 HydrophobicContact CG-CG 4.48Å
84F96.1Very high95.4Very high0 Ų047.1 Ų47.10%023%0.228CC..SBendtrans-156.5164.9167.258.1-105.8000109.2F79 N82 L86 A128 T131 D243 F246 V345 R347F79-F84 WeakPolarHBondContact CA-O 3.3Å; N82-F84 VanDerWaalsContact C-N 3.31Å; N82-F84 HydrophobicContact CB-CD1 3.9Å; N82-F84 HydrophobicContact CB-CD2 4.45Å; N82-F84 HydrophobicContact CB-CE1 3.43Å; N82-F84 VanDerWaalsContact CB-CE1 3.43Å; N82-F84 HydrophobicContact CB-CE2 4.01Å; N82-F84 HydrophobicContact CB-CG 4.4Å; N82-F84 HydrophobicContact CB-CZ 3.48Å; N82-F84 VanDerWaalsContact CB-CZ 3.48Å; N82-F84 WeakPolarHBondContact O-CD1 3.31Å; F84-L86 HydrophobicContact CE2-CB 4.49Å; F84-L86 HydrophobicContact CE2-CD1 4.22Å; F84-L86 PolarHBondContact O-N 2.9Å; F84-A128 HydrophobicContact CE2-CB 4.18Å; F84-A128 HydrophobicContact CZ-CB 3.8Å; F84-T131 HydrophobicContact CE1-CG2 4.49Å; F84-T131 HydrophobicContact CE2-CG2 3.74Å; F84-T131 HydrophobicContact CZ-CG2 3.66Å; F84-D243 CarbonylContact C-O 3.59Å; F84-D243 WeakPolarHBondContact CA-O 3.2Å; F84-D243 HydrophobicContact CB-CB 3.97Å; F84-F246 AromaticContact CD2-CE2 3.89Å; F84-F246 HydrophobicContact CD2-CE2 3.89Å; F84-F246 AromaticContact CD2-CZ 3.79Å; F84-F246 HydrophobicContact CD2-CZ 3.79Å; F84-F246 HydrophobicContact CE2-CZ 4.14Å; F84-F246 HydrophobicContact CG-CZ 4.43Å; F84-V345 HydrophobicContact CB-CG1 3.94Å; F84-V345 HydrophobicContact CD1-CG1 4.19Å; F84-V345 HydrophobicContact CG-CG1 4.18Å; F84-R347 HydrophobicContact CD1-CG 4.46Å
85N96.4Very high95.5Very high3 Ų344.7 Ų44.72%0.01622%0.221CC..  trans-70.385.9-178-170.8-16000111.7M75 F79 M87 A88 S89 D243 D244 F246M75-N85 VanDerWaalsContact CG-OD1 3.3Å; M75-N85 WeakPolarHBondContact CG-OD1 3.48Å; F79-N85 HydrophobicContact CD2-CB 4.26Å; N85-M87 PolarHBondContact O-N 2.8Å; N85-M87 PolarHBondContact OD1-N 3.43Å; N85-A88 HydrophobicContact CB-CB 4.04Å; N85-A88 VanDerWaalsContact CG-CB 3.48Å; N85-A88 PolarHBondContact O-N 2.9Å; N85-A88 PolarHBondContact OD1-N 3Å; N85-S89 PolarHBondContact O-N 3.28Å; N85-S89 VanDerWaalsContact O-N 3.09Å; N85-D243 WeakPolarHBondContact CB-O 3.27Å; N85-D243 PolarHBondContact N-O 2.83Å; N85-D244 WeakPolarHBondContact CB-O 3.23Å; N85-D244 PolarHBondContact ND2-O 3.31Å; N85-F246 VanDerWaalsContact O-CE2 3.31Å; N85-F246 WeakPolarHBondContact O-CE2 3.05Å
86L95.4Very high95.6Very high12 Ų1244.1 Ų44.16%0.06322%0.218CC..Hα-helixtrans-60.9-35.2-179.7179.760.7000112.1M78 F84 S89 E90 A128M78-L86 HydrophobicContact CB-CB 4.3Å; M78-L86 HydrophobicContact CE-CB 4.1Å; M78-L86 HydrophobicContact CE-CD2 3.8Å; M78-L86 HydrophobicContact CE-CG 3.75Å; F84-L86 HydrophobicContact CE2-CB 4.49Å; F84-L86 HydrophobicContact CE2-CD1 4.22Å; F84-L86 PolarHBondContact O-N 2.9Å; L86-S89 WeakPolarHBondContact O-CB 3.31Å; L86-S89 PolarHBondContact O-N 3.32Å; L86-E90 HydrophobicContact CD1-CG 4.26Å; L86-E90 HydrophobicContact CG-CG 4.44Å; L86-E90 WeakPolarHBondContact O-CG 3.47Å; L86-E90 PolarHBondContact O-N 3.36Å; L86-A128 HydrophobicContact CD1-CB 3.43Å; L86-A128 VanDerWaalsContact CD1-CB 3.43Å
87M96.1Very high95.7Very high10 Ų1040.8 Ų40.85%0.04921%0.207CC..Hα-helixtrans-63.6-47.2178-175.7-177.8-71.300111.4I67 E71 K74 M75 M78 N85 S89 E90 L91I67-M87 HydrophobicContact CD1-CB 4.42Å; I67-M87 HydrophobicContact CD1-CG 3.98Å; I67-M87 HydrophobicContact CD1-SD 4.07Å; I67-M87 HydrophobicContact CG1-SD 4.35Å; I67-M87 HydrophobicContact CG2-SD 3.55Å; I67-M87 VanDerWaalsContact CG2-SD 3.55Å; E71-M87 HydrophobicContact CB-CE 4.26Å; E71-M87 HydrophobicContact CB-SD 3.98Å; K74-M87 HydrophobicContact CB-CE 3.9Å; K74-M87 HydrophobicContact CD-CE 3.62Å; K74-M87 HydrophobicContact CG-CE 3.62Å; M75-M87 HydrophobicContact CB-CE 4.27Å; M75-M87 HydrophobicContact CB-SD 4.16Å; M78-M87 HydrophobicContact CE-CB 4.34Å; M78-M87 HydrophobicContact SD-CB 4.15Å; M78-M87 HydrophobicContact SD-CE 3.85Å; N85-M87 PolarHBondContact O-N 2.8Å; N85-M87 PolarHBondContact OD1-N 3.43Å; M87-S89 VanDerWaalsContact C-N 3.3Å; M87-S89 PolarHBondContact O-N 3.19Å; M87-E90 PolarHBondContact O-N 3.08Å; M87-L91 WeakPolarHBondContact O-CG 3.41Å; M87-L91 PolarHBondContact O-N 2.87Å
88A97.1Very high95.9Very high0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-58.2-45.6173.400000110.8V65 I67 N85 E90 L91 I92 F246V65-A88 HydrophobicContact CB-CB 4.15Å; V65-A88 HydrophobicContact CG1-CB 4.1Å; I67-A88 HydrophobicContact CD1-CB 4.16Å; N85-A88 HydrophobicContact CB-CB 4.04Å; N85-A88 VanDerWaalsContact CG-CB 3.48Å; N85-A88 PolarHBondContact O-N 2.9Å; N85-A88 PolarHBondContact OD1-N 3Å; A88-E90 VanDerWaalsContact C-N 3.33Å; A88-E90 PolarHBondContact O-N 3.17Å; A88-L91 PolarHBondContact O-N 2.95Å; A88-I92 WeakPolarHBondContact O-CD1 3.42Å; A88-I92 WeakPolarHBondContact O-CG1 3.38Å; A88-I92 PolarHBondContact O-N 3.15Å; A88-F246 HydrophobicContact CB-CD2 4.16Å
89S97.6Very high95.9Very high0 Ų036.9 Ų36.90%019%0.192CC..Hα-helixtrans-59.4-40.6176.5-170.10000112.8N85 L86 M87 L91 I92 S130 T131 R134 F246N85-S89 PolarHBondContact O-N 3.28Å; N85-S89 VanDerWaalsContact O-N 3.09Å; L86-S89 WeakPolarHBondContact O-CB 3.31Å; L86-S89 PolarHBondContact O-N 3.32Å; M87-S89 VanDerWaalsContact C-N 3.3Å; M87-S89 PolarHBondContact O-N 3.19Å; S89-L91 VanDerWaalsContact C-N 3.31Å; S89-L91 PolarHBondContact O-N 3.13Å; S89-I92 PolarHBondContact O-N 3.26Å; S89-S130 WeakPolarHBondContact CB-OG 3.35Å; S89-S130 WeakPolarHBondContact OG-CB 3.5Å; S89-S130 PolarHBondContact OG-OG 3.42Å; S89-T131 WeakPolarHBondContact OG-CG2 3.47Å; S89-R134 PolarHBondContact O-NH2 3.01Å; S89-R134 PolarHBondContact OG-NH1 2.93Å; S89-R134 PolarHBondContact OG-NH2 3.06Å; S89-F246 VanDerWaalsContact CB-CZ 3.47Å
90E96.4Very high96Very high120 Ų12037.9 Ų37.956%0.56120%0.2SC*.Hα-helixtrans-69.9-27-178.9-74.3176.2175.300113.5L86 M87 A88 I92L86-E90 HydrophobicContact CD1-CG 4.26Å; L86-E90 HydrophobicContact CG-CG 4.44Å; L86-E90 WeakPolarHBondContact O-CG 3.47Å; L86-E90 PolarHBondContact O-N 3.36Å; M87-E90 PolarHBondContact O-N 3.08Å; A88-E90 VanDerWaalsContact C-N 3.33Å; A88-E90 PolarHBondContact O-N 3.17Å; E90-I92 VanDerWaalsContact C-N 3.3Å
91L96.3Very high96.2Very high94 Ų9434 Ų3449%0.49219%0.186SC..Hα-helixtrans-74.7-21.4174.2-66.9173.3000113.3P58 V65 I67 M87 A88 S89P58-L91 HydrophobicContact CB-CB 4.18Å; P58-L91 HydrophobicContact CG-CB 4.29Å; V65-L91 HydrophobicContact CG1-CD1 4.27Å; I67-L91 HydrophobicContact CD1-CD1 3.92Å; M87-L91 WeakPolarHBondContact O-CG 3.41Å; M87-L91 PolarHBondContact O-N 2.87Å; A88-L91 PolarHBondContact O-N 2.95Å; S89-L91 VanDerWaalsContact C-N 3.31Å; S89-L91 PolarHBondContact O-N 3.13Å
92I97.9Very high96.4Very high5 Ų532.1 Ų32.13%0.02617%0.173CC..SBendtrans-89.6131.3-174.3-67166.5000110.5V65 A88 S89 E90 R96 R134 F246V65-I92 HydrophobicContact CB-CD1 4.46Å; V65-I92 HydrophobicContact CG2-CD1 3.64Å; V65-I92 HydrophobicContact CG2-CG1 3.62Å; A88-I92 WeakPolarHBondContact O-CD1 3.42Å; A88-I92 WeakPolarHBondContact O-CG1 3.38Å; A88-I92 PolarHBondContact O-N 3.15Å; S89-I92 PolarHBondContact O-N 3.26Å; E90-I92 VanDerWaalsContact C-N 3.3Å; I92-R96 HydrophobicContact CG2-CB 4.15Å; I92-R96 HydrophobicContact CG2-CG 4.21Å; I92-R134 PolarHBondContact O-NH2 3.06Å; I92-F246 HydrophobicContact CD1-CB 3.36Å; I92-F246 HydrophobicContact CD1-CD1 4.21Å; I92-F246 HydrophobicContact CD1-CG 3.87Å
93A97.5Very high96.5Very high41 Ų4134 Ų3434%0.33918%0.183SC..  trans-54.2142.6176.700000112.6N95 R96 R134A93-N95 PolarHBondContact O-N 3.27Å; A93-R96 HydrophobicContact CB-CB 4.42Å; A93-R96 PolarHBondContact O-N 3.44Å; A93-R134 PolarHBondContact O-NE 2.79Å
94L97.3Very high96.5Very high42 Ų4238.2 Ų38.222%0.2220%0.203CC..THydrogen-bonded Turntrans-65.8-22.3175.9-61.7179.7000112.4S130 L133 R134 H137L94-S130 VanDerWaalsContact CD2-O 3.31Å; L94-S130 WeakPolarHBondContact CD2-O 3.41Å; L94-L133 HydrophobicContact CD1-CB 3.97Å; L94-L133 HydrophobicContact CD1-CD1 4.15Å; L94-L133 HydrophobicContact CD2-CB 4.01Å; L94-R134 HydrophobicContact CD2-CB 4.31Å; L94-R134 WeakPolarHBondContact O-CG 3.24Å; L94-H137 WeakPolarHBondContact O-CB 3.13Å
95N96.4Very high96.4Very high77 Ų7740 Ų4041%0.41222%0.221SC..THydrogen-bonded Turntrans-115.426.2-17965.5-37.6000112.6A93A93-N95 PolarHBondContact O-N 3.27Å
96R97.2Very high96.5Very high2 Ų239.9 Ų39.91%0.00822%0.22CC..  trans-51.2145.9178.182.9-169.6-174.7151-17.4111.7G59 E60 I92 A93 R142 E213 F246G59-R96 PolarHBondContact O-NH1 3.3Å; G59-R96 VanDerWaalsContact O-NH1 3.14Å; E60-R96 WeakPolarHBondContact OE2-CA 3.36Å; I92-R96 HydrophobicContact CG2-CB 4.15Å; I92-R96 HydrophobicContact CG2-CG 4.21Å; A93-R96 HydrophobicContact CB-CB 4.42Å; A93-R96 PolarHBondContact O-N 3.44Å; R96-R142 PolarHBondContact O-NH2 2.8Å; R96-E213 IonicContact CZ-OE1 3.95Å; R96-E213 VanDerWaalsContact CZ-OE1 3.28Å; R96-E213 IonicContact CZ-OE2 2.98Å; R96-E213 VanDerWaalsContact NE-CD 3.35Å; R96-E213 IonicContact NE-OE1 2.67Å; R96-E213 PolarHBondContact NE-OE1 3.16Å; R96-E213 VanDerWaalsContact NE-OE1 3.16Å; R96-E213 IonicContact NE-OE2 3.92Å; R96-E213 PolarHBondContact NE-OE2 3.21Å; R96-E213 IonicContact NH2-OE1 3.71Å; R96-E213 PolarHBondContact NH2-OE1 3.5Å; R96-E213 IonicContact NH2-OE2 3.96Å; R96-F246 PolarHBondContact NH1-O 2.73Å; R96-F246 PolarHBondContact NH2-O 2.98Å
97S96.6Very high96.5Very high30 Ų3042.9 Ų42.921%0.2123%0.233CC..  trans-75.4158.517165.70000112E60 M61 G62E60-S97 WeakPolarHBondContact OE1-CB 3.02Å; E60-S97 PolarHBondContact OE1-OG 3.44Å; E60-S97 PolarHBondContact OE2-N 2.04Å; E60-S97 PolarHBondContact OE2-OG 2.66Å; M61-S97 WeakPolarHBondContact CA-O 3.49Å; M61-S97 PolarHBondContact N-O 3.11Å; M61-S97 VanDerWaalsContact N-O 3.09Å; M61-S97 PolarHBondContact N-OG 3.17Å; M61-S97 PolarHBondContact SD-OG 3.11Å; G62-S97 PolarHBondContact N-O 2.58Å
98L97.4Very high96.4Very high15 Ų1547.7 Ų47.78%0.07926%0.263CS..  trans-129.5152.6177.6-69.6-178.3000109.5E213 T215 Y248L98-E213 HydrophobicContact CD1-CB 3.79Å; L98-T215 HydrophobicContact CD1-CG2 4.38Å; L98-Y248 HydrophobicContact CD1-CD2 3.97Å; L98-Y248 HydrophobicContact CD1-CE2 3.74Å; L98-Y248 HydrophobicContact CD2-CD2 3.68Å; L98-Y248 HydrophobicContact CD2-CE2 4.32Å; L98-Y248 HydrophobicContact CD2-CG 4.1Å; L98-Y248 HydrophobicContact CG-CD2 4.4Å
99P95.7Very high96.2Very high36 Ų3651 Ų5123%0.23428%0.278CS..  trans-66.4147.9174.128.4-32000111.1M61 V101 Y248M61-P99 HydrophobicContact CE-CB 4.35Å; M61-P99 WeakPolarHBondContact O-CD 3.05Å; P99-V101 HydrophobicContact CB-CG1 4.23Å; P99-V101 HydrophobicContact CG-CG1 3.92Å; P99-V101 PolarHBondContact O-N 3.16Å; P99-Y248 HydrophobicContact CG-CD1 4.15Å
100D96.1Very high96Very high62 Ų6257.5 Ų57.533%0.33232%0.317SS..  trans-80.893.6169-171.9-3.5000109.5R102D100-R102 VanDerWaalsContact C-N 3.31Å; D100-R102 WeakPolarHBondContact OD1-CB 3.34Å; D100-R102 WeakPolarHBondContact OD1-CG 3.12Å; D100-R102 IonicContact OD1-CZ 3.68Å; D100-R102 PolarHBondContact OD1-N 3.32Å; D100-R102 IonicContact OD1-NE 2.84Å; D100-R102 PolarHBondContact OD1-NE 3.32Å; D100-R102 IonicContact OD1-NH2 3.65Å; D100-R102 IonicContact OD2-CZ 3.54Å; D100-R102 IonicContact OD2-NE 3.48Å; D100-R102 PolarHBondContact OD2-NE 2.84Å; D100-R102 IonicContact OD2-NH2 2.75Å; D100-R102 PolarHBondContact OD2-NH2 3.48Å
101V95.8Very high96Very high37 Ų3754.7 Ų54.722%0.22430%0.301CS..  trans-86.40.6-176.8-61.60000113.7P99 T215 D239 Y248 A250 H341P99-V101 HydrophobicContact CB-CG1 4.23Å; P99-V101 HydrophobicContact CG-CG1 3.92Å; P99-V101 PolarHBondContact O-N 3.16Å; V101-T215 HydrophobicContact CG2-CG2 4.29Å; V101-D239 WeakPolarHBondContact CG2-OD2 3.11Å; V101-Y248 HydrophobicContact CG1-CD1 4.31Å; V101-Y248 HydrophobicContact CG1-CE1 3.97Å; V101-Y248 HydrophobicContact CG2-CE1 4.14Å; V101-A250 HydrophobicContact CB-CB 3.9Å; V101-A250 HydrophobicContact CG1-CB 3.92Å; V101-A250 HydrophobicContact CG2-CB 4.48Å; V101-H341 HydrophobicContact CG2-CB 3.94Å
102R96.1Very high95.7Very high40 Ų4055.6 Ų55.615%0.15131%0.306CS..SBendtrans-64.4148.8-179.4-63.4176.8-62.8166.51.2110.5D100 C106 K107 V216 C339D100-R102 VanDerWaalsContact C-N 3.31Å; D100-R102 WeakPolarHBondContact OD1-CB 3.34Å; D100-R102 WeakPolarHBondContact OD1-CG 3.12Å; D100-R102 IonicContact OD1-CZ 3.68Å; D100-R102 PolarHBondContact OD1-N 3.32Å; D100-R102 IonicContact OD1-NE 2.84Å; D100-R102 PolarHBondContact OD1-NE 3.32Å; D100-R102 IonicContact OD1-NH2 3.65Å; D100-R102 IonicContact OD2-CZ 3.54Å; D100-R102 IonicContact OD2-NE 3.48Å; D100-R102 PolarHBondContact OD2-NE 2.84Å; D100-R102 IonicContact OD2-NH2 2.75Å; D100-R102 PolarHBondContact OD2-NH2 3.48Å; R102-C106 HydrophobicContact CB-CB 4.04Å; R102-K107 HydrophobicContact CB-CG 4.37Å; R102-K107 VanDerWaalsContact O-CE 3.29Å; R102-K107 WeakPolarHBondContact O-CE 3.32Å; R102-V216 WeakPolarHBondContact CD-O 3.2Å; R102-V216 PolarHBondContact NE-O 3.31Å; R102-C339 WeakPolarHBondContact CD-O 3.07Å
103L95.6Very high95.2Very high42 Ų4262.2 Ų62.222%0.2234%0.342CS..  trans-56.1146.3169.1-60.8173.2000110.5G105 C106 K107 R282 T283L103-G105 PolarHBondContact O-N 2.83Å; L103-C106 HydrophobicContact CB-CB 4.49Å; L103-C106 WeakPolarHBondContact O-CA 3.26Å; L103-C106 VanDerWaalsContact O-CB 3.26Å; L103-C106 WeakPolarHBondContact O-CB 3.23Å; L103-C106 PolarHBondContact O-N 3.26Å; L103-K107 PolarHBondContact O-N 3.16Å; L103-R282 HydrophobicContact CD1-CB 3.76Å; L103-T283 HydrophobicContact CD1-CG2 4.44Å
104E95.2Very high95Very high135 Ų13565.6 Ų65.663%0.63135%0.354SS*.Hα-helixtrans-53.9-41.2-180-68.7-54.5131.900112.7C106 K107E104-C106 PolarHBondContact O-N 3.18Å; E104-K107 PolarHBondContact O-N 3.19Å; E104-K107 VanDerWaalsContact O-N 3.15Å; E104-K107 IonicContact OE1-NZ 2.72Å; E104-K107 PolarHBondContact OE1-NZ 2.52Å; E104-K107 IonicContact OE2-NZ 3.79Å
105G95.3Very high95Very high36 Ų3664.3 Ų64.337%0.37135%0.347SS..Hα-helixtrans-66.6-17.9176.400000114.6L103 K109L103-G105 PolarHBondContact O-N 2.83Å; G105-K109 WeakPolarHBondContact O-CG 3.16Å
106C97Very high95.1Very high1 Ų161.4 Ų61.41%0.00733%0.333CS..Hα-helixtrans-82-28.3173.9-68.70000112.5R102 L103 E104 T108 K109 C339R102-C106 HydrophobicContact CB-CB 4.04Å; L103-C106 HydrophobicContact CB-CB 4.49Å; L103-C106 WeakPolarHBondContact O-CA 3.26Å; L103-C106 VanDerWaalsContact O-CB 3.26Å; L103-C106 WeakPolarHBondContact O-CB 3.23Å; L103-C106 PolarHBondContact O-N 3.26Å; E104-C106 PolarHBondContact O-N 3.18Å; C106-T108 PolarHBondContact O-N 3.48Å; C106-K109 PolarHBondContact O-N 3.18Å; C106-C339 HydrophobicContact CB-CB 3.56Å; C106-C339 WeakPolarHBondContact CB-SG 3.41Å; C106-C339 WeakPolarHBondContact SG-CA 3.48Å; C106-C339 WeakPolarHBondContact SG-CB 3.43Å; C106-C339 CovalentContact SG-SG 2.04Å; C106-C339 PolarHBondContact SG-SG 2.98Å
107K95.9Very high95.1Very high76 Ų7662.7 Ų62.733%0.3334%0.341SS..Hα-helixtrans-68.3-25.8-177.9-63.1177.7-177.6170.60112.6R102 L103 E104R102-K107 HydrophobicContact CB-CG 4.37Å; R102-K107 VanDerWaalsContact O-CE 3.29Å; R102-K107 WeakPolarHBondContact O-CE 3.32Å; L103-K107 PolarHBondContact O-N 3.16Å; E104-K107 PolarHBondContact O-N 3.19Å; E104-K107 VanDerWaalsContact O-N 3.15Å; E104-K107 IonicContact OE1-NZ 2.72Å; E104-K107 PolarHBondContact OE1-NZ 2.52Å; E104-K107 IonicContact OE2-NZ 3.79Å
108T93.9Very high95.2Very high111 Ų11161.3 Ų61.368%0.68133%0.331SS*.THydrogen-bonded Turntrans-100.20.8179.857.90000113.6C106 V110C106-T108 PolarHBondContact O-N 3.48Å; T108-V110 PolarHBondContact O-N 2.65Å
109K93.9Very high95.3Very high70 Ų7060.6 Ų60.630%0.30433%0.327SS..  trans-69.4130.6176.5-79.5-171.3-180-172.80110.8G105 C106 Y111 T283G105-K109 WeakPolarHBondContact O-CG 3.16Å; C106-K109 PolarHBondContact O-N 3.18Å; K109-Y111 HydrophobicContact CB-CE2 4.01Å; K109-T283 WeakPolarHBondContact CE-OG1 3.34Å; K109-T283 VanDerWaalsContact NZ-CB 3.28Å; K109-T283 PolarHBondContact NZ-O 2.95Å; K109-T283 PolarHBondContact NZ-OG1 3.37Å
110V93.7Very high95.4Very high136 Ų13658.9 Ų58.982%0.82432%0.316SS*.  trans-101.9131.6173.1-1760000108.6T108T108-V110 PolarHBondContact O-N 2.65Å
111Y94.9Very high95.6Very high60 Ų6056 Ų5624%0.23530%0.301CS..  trans-108.1155.7175.6-58.1-79.5000109.5K109 E220 P221 A224K109-Y111 HydrophobicContact CB-CE2 4.01Å; Y111-E220 HydrophobicContact CD2-CB 3.68Å; Y111-E220 HydrophobicContact CE2-CB 4.21Å; Y111-E220 HydrophobicContact CG-CB 4Å; Y111-P221 HydrophobicContact CE1-CB 4.19Å; Y111-P221 HydrophobicContact CE1-CG 4.42Å; Y111-P221 HydrophobicContact CE2-CG 4.03Å; Y111-P221 WeakPolarHBondContact OH-CG 3.37Å; Y111-A224 HydrophobicContact CD1-CB 3.59Å; Y111-A224 HydrophobicContact CE1-CB 4.15Å
112L91.1Very high95.7Very high114 Ų11454.2 Ų54.260%0.59729%0.29SS*.  trans-65.9143.4176.5-62.3172.1000110.3N114 L115L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 WeakPolarHBondContact CB-OD1 3.36Å; L112-N114 PolarHBondContact O-N 2.74Å; L112-L115 VanDerWaalsContact O-CG 3.29Å; L112-L115 WeakPolarHBondContact O-CG 3.42Å
113D86.3Confident95.8Very high144 Ų14453 Ų5377%0.7729%0.287SS*.SBendtrans-68.3-26.7-179.7-64.6-35.6000113.6L115D113-L115 VanDerWaalsContact C-N 3.31Å; D113-L115 PolarHBondContact O-N 2.8Å
114N92.9Very high95.9Very high112 Ų11251.1 Ų51.160%0.59928%0.277SS*.  trans-91.243.3-174.363.2-14.8000113.4L112 K227L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 WeakPolarHBondContact CB-OD1 3.36Å; L112-N114 PolarHBondContact O-N 2.74Å; N114-K227 PolarHBondContact ND2-NZ 2.9Å; N114-K227 PolarHBondContact O-NZ 2.91Å; N114-K227 PolarHBondContact OD1-NZ 3.46Å
115L97.6Very high96Very high14 Ų1445.5 Ų45.57%0.07325%0.251CS..PPolyproline II helixtrans-66.1152.7174.3-63.2-172.4000111.9L112 D113 M147 E220 L223 A224 K227L112-L115 VanDerWaalsContact O-CG 3.29Å; L112-L115 WeakPolarHBondContact O-CG 3.42Å; D113-L115 VanDerWaalsContact C-N 3.31Å; D113-L115 PolarHBondContact O-N 2.8Å; L115-M147 HydrophobicContact CB-CE 4.03Å; L115-M147 HydrophobicContact CB-SD 4.11Å; L115-M147 HydrophobicContact CD1-CE 3.71Å; L115-M147 HydrophobicContact CD1-SD 3.93Å; L115-M147 HydrophobicContact CG-CE 4Å; L115-M147 HydrophobicContact CG-SD 4.47Å; L115-E220 HydrophobicContact CD1-CB 4.08Å; L115-E220 WeakPolarHBondContact CD1-O 2.9Å; L115-L223 HydrophobicContact CB-CB 4.16Å; L115-L223 HydrophobicContact CD1-CB 4Å; L115-A224 HydrophobicContact CD1-CB 4.35Å; L115-A224 HydrophobicContact CD2-CB 4.03Å; L115-K227 HydrophobicContact CD2-CD 3.87Å
116P98.2Very high96Very high16 Ų1644.9 Ų44.910%0.10424%0.239CC..PPolyproline II helixtrans-62.8148.1176.826.8-35.7000111.4Q203 V204 L223 K227P116-Q203 HydrophobicContact CB-CB 3.91Å; P116-V204 HydrophobicContact CB-CG2 4.03Å; P116-V204 HydrophobicContact CG-CG2 3.84Å; P116-L223 HydrophobicContact CG-CB 4.27Å; P116-L223 WeakPolarHBondContact O-CD1 3.45Å; P116-K227 HydrophobicContact CG-CB 4.44Å
117T98.4Very high96Very high30 Ų3044.9 Ų44.918%0.18424%0.239CC..PPolyproline II helixtrans-74.1153.6173.365.20000111.4M147 Q203 V204T117-M147 CarbonylContact C-O 2.96Å; T117-M147 VanDerWaalsContact CA-O 3.31Å; T117-M147 WeakPolarHBondContact CA-O 3.29Å; T117-Q203 PolarHBondContact O-N 2.71Å; T117-V204 PolarHBondContact O-N 2.81Å
118T98.8Very high96.1Very high0 Ų041.3 Ų41.30%022%0.224CC..EExtended strand (participates in β ladder)trans-125.7140.6177.4-165.60000113.2V120 M147 E149 V204 T206 L219T118-V120 HydrophobicContact CG2-CG2 4.26Å; T118-M147 PolarHBondContact N-O 3.47Å; T118-E149 WeakPolarHBondContact O-CB 3.48Å; T118-E149 PolarHBondContact O-N 3.14Å; T118-V204 CarbonylContact C-O 3.6Å; T118-V204 WeakPolarHBondContact CA-O 3.27Å; T118-V204 WeakPolarHBondContact CB-O 3.43Å; T118-V204 PolarHBondContact OG1-O 2.87Å; T118-T206 PolarHBondContact OG1-N 3Å; T118-T206 PolarHBondContact OG1-OG1 3.37Å; T118-L219 HydrophobicContact CG2-CD1 3.96Å; T118-L219 HydrophobicContact CG2-CD2 4Å
119S98.9Very high96.3Very high0 Ų039.9 Ų39.90%021%0.206CC..EExtended strand (participates in β ladder)trans-95.4123.4160.9-61.90000108.5E150 K201 G202 V204 T206S119-E150 WeakPolarHBondContact CA-O 3.22Å; S119-E150 WeakPolarHBondContact OG-CG 3.19Å; S119-E150 PolarHBondContact OG-OE1 2.81Å; S119-K201 PolarHBondContact OG-N 3.01Å; S119-K201 VanDerWaalsContact OG-N 3.13Å; S119-G202 PolarHBondContact OG-N 3.2Å; S119-V204 PolarHBondContact N-O 3.04Å; S119-T206 PolarHBondContact O-N 3.05Å
120V98.9Very high96.5Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-88.9117.7176.4179.10000109.1T118 I122 V139 L148 E150 I151 V152 T206 L208T118-V120 HydrophobicContact CG2-CG2 4.26Å; V120-I122 HydrophobicContact CG1-CD1 4.26Å; V120-I122 HydrophobicContact CG1-CG1 4.16Å; V120-V139 HydrophobicContact CB-CG1 4.32Å; V120-V139 HydrophobicContact CG1-CG1 4.33Å; V120-V139 HydrophobicContact CG1-CG2 4.26Å; V120-V139 HydrophobicContact CG2-CG1 3.93Å; V120-L148 HydrophobicContact CB-CD1 4.38Å; V120-L148 HydrophobicContact CG2-CD1 3.61Å; V120-E150 PolarHBondContact N-O 3.37Å; V120-I151 HydrophobicContact CB-CG1 4.38Å; V120-I151 CarbonylContact O-C 3.58Å; V120-I151 WeakPolarHBondContact O-CA 3.43Å; V120-V152 PolarHBondContact O-N 3.21Å; V120-T206 CarbonylContact C-O 3.58Å; V120-T206 VanDerWaalsContact CA-O 3.27Å; V120-T206 WeakPolarHBondContact CA-O 3.24Å; V120-L208 HydrophobicContact CG1-CD1 3.8Å; V120-L208 HydrophobicContact CG1-CG 4.17Å
121V98.9Very high96.7Very high1 Ų130.6 Ų30.61%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-102.3119.4-179.7178.20000109.2V152 V154 I205 T206 F207 L208V121-V152 WeakPolarHBondContact CA-O 3.44Å; V121-V152 HydrophobicContact CG2-CB 4.27Å; V121-V154 HydrophobicContact CG1-CG2 4.24Å; V121-I205 HydrophobicContact CB-CG2 4.38Å; V121-I205 HydrophobicContact CG2-CG2 3.72Å; V121-T206 PolarHBondContact N-O 2.94Å; V121-F207 HydrophobicContact CB-CD1 3.83Å; V121-F207 HydrophobicContact CB-CE1 4Å; V121-F207 HydrophobicContact CG1-CD1 3.95Å; V121-F207 HydrophobicContact CG1-CE1 3.94Å; V121-F207 HydrophobicContact CG2-CE1 4.43Å; V121-F207 WeakPolarHBondContact O-CA 3.35Å; V121-L208 PolarHBondContact O-N 3.31Å
122I98.8Very high96.9Very high0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-119113.3177.5-62.4160.4000108.6V120 L132 T135 V136 I151 V152 L153 V154 L208 A210V120-I122 HydrophobicContact CG1-CD1 4.26Å; V120-I122 HydrophobicContact CG1-CG1 4.16Å; I122-L132 HydrophobicContact CG2-CD1 4.27Å; I122-T135 HydrophobicContact CD1-CG2 3.88Å; I122-V136 HydrophobicContact CD1-CG2 4.36Å; I122-I151 HydrophobicContact CD1-CG2 3.98Å; I122-V152 PolarHBondContact N-O 2.65Å; I122-L153 HydrophobicContact CB-CD2 3.78Å; I122-L153 HydrophobicContact CD1-CD2 4Å; I122-L153 HydrophobicContact CG1-CD2 4.44Å; I122-L153 HydrophobicContact CG2-CD2 4.22Å; I122-L153 CarbonylContact O-C 3.5Å; I122-L153 WeakPolarHBondContact O-CA 3.44Å; I122-V154 PolarHBondContact O-N 2.7Å; I122-L208 WeakPolarHBondContact CA-O 3.27Å; I122-L208 HydrophobicContact CG1-CB 4.03Å; I122-A210 HydrophobicContact CG2-CB 3.8Å
123V98.2Very high97.2Very high14 Ų1422.3 Ų22.39%0.08512%0.116CC..EExtended strand (participates in β ladder)trans-88.8136.8173.3175.50000109.2V154 L189 A192 R193V123-V154 WeakPolarHBondContact CA-O 3.4Å; V123-V154 HydrophobicContact CG2-CB 4.18Å; V123-L189 HydrophobicContact CB-CD1 3.9Å; V123-L189 HydrophobicContact CG1-CD1 3.9Å; V123-L189 HydrophobicContact CG2-CD1 4.37Å; V123-A192 HydrophobicContact CB-CB 4.28Å; V123-A192 HydrophobicContact CG1-CB 3.43Å; V123-A192 VanDerWaalsContact CG1-CB 3.43Å; V123-A192 HydrophobicContact CG2-CB 3.8Å; V123-R193 HydrophobicContact CG2-CB 4.39Å; V123-R193 HydrophobicContact CG2-CG 3.6Å
124F97.6Very high97.8Very high4 Ų415.6 Ų15.62%0.0188%0.08CC..EExtended strand (participates in β ladder)trans-140.9149.8174.971-82.4000111.9E127 L132 L153 V154 D155 D156 L163 L167 A210F124-E127 HydrophobicContact CB-CB 4.12Å; F124-L132 HydrophobicContact CB-CD1 4.29Å; F124-L132 HydrophobicContact CD1-CD1 4.28Å; F124-L132 HydrophobicContact CD2-CD2 4.18Å; F124-L132 HydrophobicContact CE2-CD2 4.3Å; F124-L132 HydrophobicContact CG-CD1 4.26Å; F124-L132 HydrophobicContact CG-CD2 4.27Å; F124-L132 HydrophobicContact CZ-CD2 4.5Å; F124-L153 HydrophobicContact CD1-CB 4.47Å; F124-L153 HydrophobicContact CE1-CB 3.95Å; F124-V154 WeakPolarHBondContact CD1-O 3.39Å; F124-V154 PolarHBondContact N-O 2.92Å; F124-D155 HydrophobicContact CE1-CB 3.84Å; F124-D155 HydrophobicContact CE2-CB 3.87Å; F124-D155 HydrophobicContact CZ-CB 3.41Å; F124-D155 VanDerWaalsContact CZ-CB 3.41Å; F124-D156 PolarHBondContact O-N 3.35Å; F124-L163 HydrophobicContact CD2-CD1 4.19Å; F124-L163 HydrophobicContact CD2-CD2 4.32Å; F124-L163 HydrophobicContact CE2-CB 4.12Å; F124-L163 HydrophobicContact CE2-CD1 4.12Å; F124-L163 HydrophobicContact CE2-CD2 4.04Å; F124-L163 HydrophobicContact CE2-CG 4.31Å; F124-L167 HydrophobicContact CE1-CD2 4.3Å; F124-L167 HydrophobicContact CE2-CD2 4.18Å; F124-L167 HydrophobicContact CZ-CD2 3.62Å; F124-A210 HydrophobicContact CB-CB 3.69Å
125H96Very high98.1Very high17 Ų1710.3 Ų10.38%0.0795%0.052CC..SBendtrans-142.5121.3169.2175.275.3000107.7E127 D156 A157 S158 R186 Y352H125-E127 PolarHBondContact O-N 3.37Å; H125-D156 HydrophobicContact CB-CB 4.32Å; H125-D156 PolarHBondContact ND1-O 3.39Å; H125-A157 PolarHBondContact CE1-O 3.18Å; H125-A157 VanDerWaalsContact CE1-O 3.31Å; H125-A157 PolarHBondContact ND1-O 3.41Å; H125-S158 WeakPolarHBondContact CA-OG 3.42Å; H125-R186 PolarHBondContact NE2-NE 3.03Å; H125-Y352 AromaticContact CD2-CD1 3.69Å; H125-Y352 WeakPolarHBondContact O-CE1 3.4Å
126N95.8Very high98.2Very high23 Ų239.7 Ų9.712%0.1235%0.048CC..SBendtrans50.731.2178.6-75.3-21.9000114.6N82 S158 E159 R160N82-N126 PolarHBondContact ND2-O 3.07Å; N82-N126 VanDerWaalsContact ND2-O 3.16Å; N126-S158 PolarHBondContact N-OG 3.09Å; N126-E159 PolarHBondContact OD1-N 2.78Å; N126-R160 PolarHBondContact O-NE 2.84Å; N126-R160 PolarHBondContact O-NH1 2.83Å; N126-R160 PolarHBondContact O-NH2 2.72Å
127E97.5Very high98.2Very high1 Ų110.2 Ų10.21%0.0055%0.049CC..  trans-71.1154.1-179.2-164.456.2-93.100112N82 F124 H125 T131 L132 F162 A210 H211 R347N82-E127 PolarHBondContact ND2-OE1 2.81Å; F124-E127 HydrophobicContact CB-CB 4.12Å; H125-E127 PolarHBondContact O-N 3.37Å; E127-T131 PolarHBondContact OE1-OG1 2.83Å; E127-L132 HydrophobicContact CG-CB 4.18Å; E127-F162 WeakPolarHBondContact O-CE2 3.37Å; E127-A210 HydrophobicContact CB-CB 4.34Å; E127-A210 HydrophobicContact CG-CB 3.81Å; E127-H211 IonicContact OE2-CE1 3.09Å; E127-H211 PolarHBondContact OE2-CE1 2.81Å; E127-H211 IonicContact OE2-CG 3.86Å; E127-H211 IonicContact OE2-ND1 3.4Å; E127-H211 PolarHBondContact OE2-ND1 2.88Å; E127-R347 VanDerWaalsContact CD-NH2 3.29Å; E127-R347 IonicContact OE1-NH2 3.65Å; E127-R347 PolarHBondContact OE1-NH2 2.99Å; E127-R347 IonicContact OE2-CZ 3.23Å; E127-R347 IonicContact OE2-NH2 2.85Å; E127-R347 PolarHBondContact OE2-NH2 3.34Å
128A97.5Very high98.2Very high1 Ų18.9 Ų8.91%0.0084%0.041CC..  trans-67.6142.1172.300000111.3N82 F84 L86 S130 T131 L132N82-A128 PolarHBondContact ND2-N 3.11Å; F84-A128 HydrophobicContact CE2-CB 4.18Å; F84-A128 HydrophobicContact CZ-CB 3.8Å; L86-A128 HydrophobicContact CD1-CB 3.43Å; L86-A128 VanDerWaalsContact CD1-CB 3.43Å; A128-S130 VanDerWaalsContact C-N 3.3Å; A128-S130 PolarHBondContact O-N 3.35Å; A128-T131 PolarHBondContact O-N 2.92Å; A128-T131 PolarHBondContact O-OG1 2.93Å; A128-L132 WeakPolarHBondContact O-CB 3.35Å; A128-L132 PolarHBondContact O-N 3.45Å
129W98.2Very high98.2Very high81 Ų818.9 Ų8.931%0.3074%0.041SC..Hα-helixtrans-56.6-44.6177.7177.6-93000112.2L133 F162 P166 L167 Y170W129-L133 HydrophobicContact CD2-CD1 3.84Å; W129-L133 HydrophobicContact CD2-CG 4.48Å; W129-L133 HydrophobicContact CE3-CD1 4.45Å; W129-L133 HydrophobicContact CG-CD1 4.32Å; W129-L133 HydrophobicContact CH2-CD1 4.1Å; W129-L133 HydrophobicContact CZ2-CD1 3.41Å; W129-L133 VanDerWaalsContact CZ2-CD1 3.41Å; W129-L133 WeakPolarHBondContact O-CB 3.26Å; W129-L133 PolarHBondContact O-N 2.84Å; W129-F162 HydrophobicContact CB-CD2 4.04Å; W129-F162 HydrophobicContact CB-CE2 4.03Å; W129-F162 HydrophobicContact CE3-CB 4.36Å; W129-F162 AromaticContact CE3-CD2 4Å; W129-F162 HydrophobicContact CE3-CD2 4Å; W129-F162 VanDerWaalsContact CZ3-O 3.29Å; W129-F162 WeakPolarHBondContact CZ3-O 3.45Å; W129-P166 HydrophobicContact CZ3-CB 4.5Å; W129-L167 HydrophobicContact CZ3-CB 4.03Å; W129-L167 HydrophobicContact CZ3-CD1 4.13Å; W129-Y170 HydrophobicContact CH2-CD2 4.31Å; W129-Y170 HydrophobicContact CH2-CG 4.14Å; W129-Y170 AromaticContact CZ2-CD2 3.85Å; W129-Y170 HydrophobicContact CZ2-CD2 3.85Å; W129-Y170 HydrophobicContact CZ2-CE2 4.43Å; W129-Y170 HydrophobicContact CZ2-CG 4.06Å
130S98.1Very high98.2Very high8 Ų810.1 Ų10.16%0.0565%0.047CC..Hα-helixtrans-63.9-46.6-17753.40000112.4S89 L94 A128 R134S89-S130 WeakPolarHBondContact CB-OG 3.35Å; S89-S130 WeakPolarHBondContact OG-CB 3.5Å; S89-S130 PolarHBondContact OG-OG 3.42Å; L94-S130 VanDerWaalsContact CD2-O 3.31Å; L94-S130 WeakPolarHBondContact CD2-O 3.41Å; A128-S130 VanDerWaalsContact C-N 3.3Å; A128-S130 PolarHBondContact O-N 3.35Å; S130-R134 WeakPolarHBondContact O-CB 3.46Å; S130-R134 PolarHBondContact O-N 2.78Å
131T98.1Very high98.1Very high3 Ų314.1 Ų14.12%0.0187%0.069CC..Hα-helixtrans-72-42.2-18052.10000112.7F84 S89 E127 A128 R134 T135 A210 F246F84-T131 HydrophobicContact CE1-CG2 4.49Å; F84-T131 HydrophobicContact CE2-CG2 3.74Å; F84-T131 HydrophobicContact CZ-CG2 3.66Å; S89-T131 WeakPolarHBondContact OG-CG2 3.47Å; E127-T131 PolarHBondContact OE1-OG1 2.83Å; A128-T131 PolarHBondContact O-N 2.92Å; A128-T131 PolarHBondContact O-OG1 2.93Å; T131-R134 PolarHBondContact O-N 3.13Å; T131-T135 PolarHBondContact O-N 2.81Å; T131-T135 PolarHBondContact O-OG1 2.81Å; T131-A210 CarbonylContact C-O 3.48Å; T131-F246 HydrophobicContact CG2-CE1 3.93Å; T131-F246 HydrophobicContact CG2-CZ 3.83Å
132L98.8Very high98.1Very high0 Ų015.8 Ų15.80%08%0.075CC..Hα-helixtrans-59.3-51.1177.517562.5000110.8I122 F124 E127 A128 T135 V136 L153 L163 L167 A210I122-L132 HydrophobicContact CG2-CD1 4.27Å; F124-L132 HydrophobicContact CB-CD1 4.29Å; F124-L132 HydrophobicContact CD1-CD1 4.28Å; F124-L132 HydrophobicContact CD2-CD2 4.18Å; F124-L132 HydrophobicContact CE2-CD2 4.3Å; F124-L132 HydrophobicContact CG-CD1 4.26Å; F124-L132 HydrophobicContact CG-CD2 4.27Å; F124-L132 HydrophobicContact CZ-CD2 4.5Å; E127-L132 HydrophobicContact CG-CB 4.18Å; A128-L132 WeakPolarHBondContact O-CB 3.35Å; A128-L132 PolarHBondContact O-N 3.45Å; L132-T135 WeakPolarHBondContact O-CB 3.32Å; L132-T135 PolarHBondContact O-N 2.96Å; L132-V136 WeakPolarHBondContact O-CG2 3.46Å; L132-V136 PolarHBondContact O-N 2.99Å; L132-V136 VanDerWaalsContact O-N 3.12Å; L132-L153 HydrophobicContact CD1-CD2 4.46Å; L132-L163 HydrophobicContact CD2-CD2 3.72Å; L132-L167 HydrophobicContact CD2-CD1 4.06Å; L132-L167 HydrophobicContact CD2-CD2 3.89Å; L132-A210 WeakPolarHBondContact CA-O 3.42Å; L132-A210 HydrophobicContact CD1-CB 3.96Å; L132-A210 PolarHBondContact N-O 2.93Å
133L98.6Very high98Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-72.5-32.2-179.7-71.1-175.8000112.9L94 W129 T135 V136 H137 L167 Y170 V171L94-L133 HydrophobicContact CD1-CB 3.97Å; L94-L133 HydrophobicContact CD1-CD1 4.15Å; L94-L133 HydrophobicContact CD2-CB 4.01Å; W129-L133 HydrophobicContact CD2-CD1 3.84Å; W129-L133 HydrophobicContact CD2-CG 4.48Å; W129-L133 HydrophobicContact CE3-CD1 4.45Å; W129-L133 HydrophobicContact CG-CD1 4.32Å; W129-L133 HydrophobicContact CH2-CD1 4.1Å; W129-L133 HydrophobicContact CZ2-CD1 3.41Å; W129-L133 VanDerWaalsContact CZ2-CD1 3.41Å; W129-L133 WeakPolarHBondContact O-CB 3.26Å; W129-L133 PolarHBondContact O-N 2.84Å; L133-T135 VanDerWaalsContact C-N 3.26Å; L133-T135 PolarHBondContact O-N 3.49Å; L133-V136 PolarHBondContact O-N 3.3Å; L133-H137 WeakPolarHBondContact O-CB 3.39Å; L133-H137 PolarHBondContact O-CD2 3.14Å; L133-H137 PolarHBondContact O-N 3.06Å; L133-L167 HydrophobicContact CD2-CD1 3.95Å; L133-Y170 HydrophobicContact CD1-CD1 3.76Å; L133-Y170 HydrophobicContact CD1-CD2 4.31Å; L133-Y170 HydrophobicContact CD1-CE1 3.57Å; L133-Y170 HydrophobicContact CD1-CE2 4.13Å; L133-Y170 HydrophobicContact CD1-CG 4.14Å; L133-Y170 HydrophobicContact CD2-CD1 3.63Å; L133-Y170 HydrophobicContact CD2-CE1 3.69Å; L133-Y170 HydrophobicContact CG-CD1 4.38Å; L133-Y170 HydrophobicContact CG-CE1 4.21Å; L133-V171 HydrophobicContact CD2-CG1 4.3Å
134R98.7Very high98Very high3 Ų317 Ų171%0.0118%0.083CC..Hα-helixtrans-62.1-37.8172.5-170.7177.3-57.2119.814111S89 I92 A93 L94 S130 T131 S138 E213S89-R134 PolarHBondContact O-NH2 3.01Å; S89-R134 PolarHBondContact OG-NH1 2.93Å; S89-R134 PolarHBondContact OG-NH2 3.06Å; I92-R134 PolarHBondContact O-NH2 3.06Å; A93-R134 PolarHBondContact O-NE 2.79Å; L94-R134 HydrophobicContact CD2-CB 4.31Å; L94-R134 WeakPolarHBondContact O-CG 3.24Å; S130-R134 WeakPolarHBondContact O-CB 3.46Å; S130-R134 PolarHBondContact O-N 2.78Å; T131-R134 PolarHBondContact O-N 3.13Å; R134-S138 WeakPolarHBondContact O-CB 3.46Å; R134-S138 PolarHBondContact O-N 3.21Å; R134-E213 WeakPolarHBondContact CD-OE1 3.44Å; R134-E213 WeakPolarHBondContact CD-OE2 3.43Å; R134-E213 HydrophobicContact CG-CG 4.06Å
135T98.9Very high97.9Very high1 Ų123.1 Ų23.11%0.00611%0.106CC..Hα-helixtrans-60.1-51172.1-520000111.1I122 T131 L132 L133 H137 S138 V139 A210 H211 C212I122-T135 HydrophobicContact CD1-CG2 3.88Å; T131-T135 PolarHBondContact O-N 2.81Å; T131-T135 PolarHBondContact O-OG1 2.81Å; L132-T135 WeakPolarHBondContact O-CB 3.32Å; L132-T135 PolarHBondContact O-N 2.96Å; L133-T135 VanDerWaalsContact C-N 3.26Å; L133-T135 PolarHBondContact O-N 3.49Å; T135-H137 PolarHBondContact O-N 2.84Å; T135-S138 PolarHBondContact O-N 2.98Å; T135-V139 WeakPolarHBondContact O-CG2 3.37Å; T135-V139 PolarHBondContact O-N 2.93Å; T135-A210 VanDerWaalsContact OG1-C 3.25Å; T135-A210 PolarHBondContact OG1-O 3.37Å; T135-A210 VanDerWaalsContact OG1-O 3.12Å; T135-H211 PolarHBondContact OG1-N 3.42Å; T135-C212 WeakPolarHBondContact CA-O 3.33Å; T135-C212 WeakPolarHBondContact CB-O 3.18Å; T135-C212 HydrophobicContact CG2-CB 4.02Å; T135-C212 PolarHBondContact OG1-N 2.68Å; T135-C212 PolarHBondContact OG1-O 2.75Å
136V98.8Very high97.9Very high0 Ų028 Ų280%013%0.129CC..Hα-helixtrans-59.1-48.6178.9173.40000111.9I122 L132 L133 S138 V139 I140 I151 L153 L174 V178I122-V136 HydrophobicContact CD1-CG2 4.36Å; L132-V136 WeakPolarHBondContact O-CG2 3.46Å; L132-V136 PolarHBondContact O-N 2.99Å; L132-V136 VanDerWaalsContact O-N 3.12Å; L133-V136 PolarHBondContact O-N 3.3Å; V136-S138 VanDerWaalsContact C-N 3.35Å; V136-S138 PolarHBondContact O-N 2.85Å; V136-V139 PolarHBondContact O-N 2.87Å; V136-I140 HydrophobicContact CG1-CD1 3.9Å; V136-I140 WeakPolarHBondContact O-CG1 3.32Å; V136-I140 PolarHBondContact O-N 2.85Å; V136-I151 HydrophobicContact CG1-CD1 4.16Å; V136-L153 HydrophobicContact CG2-CD1 4.23Å; V136-L153 HydrophobicContact CG2-CD2 3.85Å; V136-L174 HydrophobicContact CG1-CD1 3.69Å; V136-V178 HydrophobicContact CG1-CG2 4.44Å
137H98.6Very high97.9Very high28 Ų2827.3 Ų27.313%0.1313%0.125CC..Hα-helixtrans-64.4-39.3178.1-83.3-75.3000112L94 L133 T135 V139 I140 N141 Y170L94-H137 WeakPolarHBondContact O-CB 3.13Å; L133-H137 WeakPolarHBondContact O-CB 3.39Å; L133-H137 PolarHBondContact O-CD2 3.14Å; L133-H137 PolarHBondContact O-N 3.06Å; T135-H137 PolarHBondContact O-N 2.84Å; H137-V139 VanDerWaalsContact C-N 3.35Å; H137-V139 PolarHBondContact O-N 2.74Å; H137-I140 PolarHBondContact O-N 3.37Å; H137-N141 VanDerWaalsContact O-CB 3.22Å; H137-N141 WeakPolarHBondContact O-CB 3.47Å; H137-N141 PolarHBondContact O-N 2.82Å; H137-N141 PolarHBondContact O-ND2 2.81Å; H137-Y170 AromaticContact NE2-CE1 3.72Å; H137-Y170 AromaticContact NE2-CZ 3.72Å; H137-Y170 PolarHBondContact NE2-OH 3.08Å
138S98.6Very high98Very high1 Ų127.4 Ų27.41%0.00713%0.125CC..Hα-helixtrans-61-43.6177.3-171.70000112R134 T135 V136 R142 C214R134-S138 WeakPolarHBondContact O-CB 3.46Å; R134-S138 PolarHBondContact O-N 3.21Å; T135-S138 PolarHBondContact O-N 2.98Å; V136-S138 VanDerWaalsContact C-N 3.35Å; V136-S138 PolarHBondContact O-N 2.85Å; S138-R142 WeakPolarHBondContact O-CB 3.5Å; S138-R142 PolarHBondContact O-N 2.91Å; S138-R142 PolarHBondContact OG-NH1 3.37Å; S138-C214 PolarHBondContact OG-N 2.88Å; S138-C214 PolarHBondContact OG-O 2.98Å; S138-C214 VanDerWaalsContact OG-O 3.09Å
139V98.8Very high98Very high0 Ų031.1 Ų31.10%014%0.143CC..Hα-helixtrans-60.9-49.6173.4171.50000110.9V120 T135 V136 H137 N141 S143 L148 I151 L208 W218V120-V139 HydrophobicContact CB-CG1 4.32Å; V120-V139 HydrophobicContact CG1-CG1 4.33Å; V120-V139 HydrophobicContact CG1-CG2 4.26Å; V120-V139 HydrophobicContact CG2-CG1 3.93Å; T135-V139 WeakPolarHBondContact O-CG2 3.37Å; T135-V139 PolarHBondContact O-N 2.93Å; V136-V139 PolarHBondContact O-N 2.87Å; H137-V139 VanDerWaalsContact C-N 3.35Å; H137-V139 PolarHBondContact O-N 2.74Å; V139-N141 PolarHBondContact O-N 2.69Å; V139-S143 WeakPolarHBondContact O-CB 3.37Å; V139-S143 PolarHBondContact O-N 3.05Å; V139-S143 VanDerWaalsContact O-N 3.16Å; V139-S143 PolarHBondContact O-OG 2.8Å; V139-L148 HydrophobicContact CG1-CD1 4.14Å; V139-L148 HydrophobicContact CG1-CD2 3.91Å; V139-I151 HydrophobicContact CB-CD1 4.15Å; V139-I151 HydrophobicContact CG1-CD1 3.75Å; V139-I151 HydrophobicContact CG1-CG1 4.18Å; V139-L208 HydrophobicContact CG2-CD1 3.5Å; V139-L208 VanDerWaalsContact CG2-CD1 3.5Å; V139-W218 HydrophobicContact CG2-CZ2 4.45Å
140I98.4Very high98Very high26 Ų2627.4 Ų27.413%0.13313%0.129CC..Hα-helixtrans-63-42.8-178-68.6172.5000111.6V136 H137 I151 L174 V176 V178V136-I140 HydrophobicContact CG1-CD1 3.9Å; V136-I140 WeakPolarHBondContact O-CG1 3.32Å; V136-I140 PolarHBondContact O-N 2.85Å; H137-I140 PolarHBondContact O-N 3.37Å; I140-I151 HydrophobicContact CD1-CD1 4.12Å; I140-I151 HydrophobicContact CG1-CD1 3.66Å; I140-L174 HydrophobicContact CD1-CB 4.12Å; I140-L174 HydrophobicContact CD1-CD1 3.91Å; I140-L174 HydrophobicContact CD1-CG 4.41Å; I140-V176 HydrophobicContact CD1-CB 4.28Å; I140-V176 HydrophobicContact CG1-CB 4.13Å; I140-V176 HydrophobicContact CG1-CG2 4.01Å; I140-V176 HydrophobicContact CG2-CG2 4.02Å; I140-V178 HydrophobicContact CD1-CG2 4.41Å
141N97.7Very high98.1Very high85 Ų8527 Ų2746%0.45513%0.126SC..Hα-helixtrans-77.1-22.9-172.3-66.8-19000113H137 V139H137-N141 VanDerWaalsContact O-CB 3.22Å; H137-N141 WeakPolarHBondContact O-CB 3.47Å; H137-N141 PolarHBondContact O-N 2.82Å; H137-N141 PolarHBondContact O-ND2 2.81Å; V139-N141 PolarHBondContact O-N 2.69Å
142R97.8Very high98.1Very high36 Ų3627 Ų2714%0.13613%0.126CC..Hα-helixtrans-123.112.8-171.6-62.5171.9-179.5113.25.2114.3R96 S138 C214 W218R96-R142 PolarHBondContact O-NH2 2.8Å; S138-R142 WeakPolarHBondContact O-CB 3.5Å; S138-R142 PolarHBondContact O-N 2.91Å; S138-R142 PolarHBondContact OG-NH1 3.37Å; R142-C214 WeakPolarHBondContact CD-O 3.2Å; R142-C214 PolarHBondContact NE-O 3.14Å; R142-C214 PolarHBondContact NH1-O 3.06Å; R142-W218 PolarHBondContact O-NE1 3.08Å
143S98.2Very high98.1Very high12 Ų1227 Ų278%0.08413%0.126CC..SBendtrans-112132.1172.3-52.80000109.7V139 R145 W218V139-S143 WeakPolarHBondContact O-CB 3.37Å; V139-S143 PolarHBondContact O-N 3.05Å; V139-S143 VanDerWaalsContact O-N 3.16Å; V139-S143 PolarHBondContact O-OG 2.8Å; S143-R145 PolarHBondContact O-N 3.05Å; S143-W218 PolarHBondContact OG-NE1 3.4Å
144P96.7Very high98.1Very high27 Ų2727 Ų2718%0.17513%0.126CC..  trans-55.5127.8173.4-26.234.8000111.3H146 M147 L148 E220P144-H146 PolarHBondContact O-N 3.46Å; P144-H146 VanDerWaalsContact O-N 3.09Å; P144-M147 HydrophobicContact CB-CB 4.46Å; P144-M147 HydrophobicContact CB-CE 4.34Å; P144-M147 HydrophobicContact CB-CG 4.11Å; P144-M147 HydrophobicContact CB-SD 4.12Å; P144-M147 HydrophobicContact CG-CE 4.29Å; P144-M147 HydrophobicContact CG-SD 3.99Å; P144-M147 PolarHBondContact O-N 3.03Å; P144-L148 PolarHBondContact O-N 3.27Å; P144-E220 HydrophobicContact CG-CG 4Å; P144-E220 VanDerWaalsContact CG-OE1 3.31Å; P144-E220 WeakPolarHBondContact CG-OE1 3.47Å
145R95.9Very high98.1Very high133 Ų13327.1 Ų27.150%0.50213%0.127SC..THydrogen-bonded Turntrans-57.2-33.4-170.1178.860.1-170.198.1-6.9113.8S143 M147 L148S143-R145 PolarHBondContact O-N 3.05Å; R145-M147 VanDerWaalsContact C-N 3.33Å; R145-L148 PolarHBondContact NH1-O 3.5Å
146H95.8Very high98Very high118 Ų11827.4 Ų27.455%0.54613%0.128SC..THydrogen-bonded Turntrans-76.9-17.4-179.664.2-89.3000113.4P144P144-H146 PolarHBondContact O-N 3.46Å; P144-H146 VanDerWaalsContact O-N 3.09Å
147M97.3Very high97.9Very high10 Ų1028.5 Ų28.55%0.04914%0.138CC..THydrogen-bonded Turntrans-92.1-26.4176.2-59.6-176.5-170.200112.3L115 T117 T118 P144 R145 E149 L219 E220 L223L115-M147 HydrophobicContact CB-CE 4.03Å; L115-M147 HydrophobicContact CB-SD 4.11Å; L115-M147 HydrophobicContact CD1-CE 3.71Å; L115-M147 HydrophobicContact CD1-SD 3.93Å; L115-M147 HydrophobicContact CG-CE 4Å; L115-M147 HydrophobicContact CG-SD 4.47Å; T117-M147 CarbonylContact C-O 2.96Å; T117-M147 VanDerWaalsContact CA-O 3.31Å; T117-M147 WeakPolarHBondContact CA-O 3.29Å; T118-M147 PolarHBondContact N-O 3.47Å; P144-M147 HydrophobicContact CB-CB 4.46Å; P144-M147 HydrophobicContact CB-CE 4.34Å; P144-M147 HydrophobicContact CB-CG 4.11Å; P144-M147 HydrophobicContact CB-SD 4.12Å; P144-M147 HydrophobicContact CG-CE 4.29Å; P144-M147 HydrophobicContact CG-SD 3.99Å; P144-M147 PolarHBondContact O-N 3.03Å; R145-M147 VanDerWaalsContact C-N 3.33Å; M147-E149 PolarHBondContact O-N 3.39Å; M147-L219 HydrophobicContact CB-CD2 4.21Å; M147-E220 HydrophobicContact CE-CG 4.03Å; M147-E220 HydrophobicContact SD-CG 4.02Å; M147-L223 HydrophobicContact CB-CD1 4Å; M147-L223 HydrophobicContact CG-CD1 4.38Å; M147-L223 HydrophobicContact SD-CD1 3.98Å
148L98.3Very high97.8Very high2 Ų227.7 Ų27.71%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-88.5102179.7-177.360.1000111V120 V139 P144 R145 I151 V176V120-L148 HydrophobicContact CB-CD1 4.38Å; V120-L148 HydrophobicContact CG2-CD1 3.61Å; V139-L148 HydrophobicContact CG1-CD1 4.14Å; V139-L148 HydrophobicContact CG1-CD2 3.91Å; P144-L148 PolarHBondContact O-N 3.27Å; R145-L148 PolarHBondContact NH1-O 3.5Å; L148-I151 HydrophobicContact CD1-CG1 4.28Å; L148-I151 HydrophobicContact CD2-CD1 4.45Å; L148-I151 HydrophobicContact CD2-CG1 4.47Å; L148-V176 HydrophobicContact CD2-CB 4.49Å; L148-V176 HydrophobicContact CD2-CG1 3.83Å; L148-V176 HydrophobicContact CD2-CG2 4.05Å; L148-V176 HydrophobicContact CG-CG1 3.93Å
149E98.3Very high97.6Very high79 Ų7934.5 Ų34.537%0.36917%0.167SC..EExtended strand (participates in β ladder)trans-69.6-55.8-179.9-173.362.1-14900110.6T118 M147 K201T118-E149 WeakPolarHBondContact O-CB 3.48Å; T118-E149 PolarHBondContact O-N 3.14Å; M147-E149 PolarHBondContact O-N 3.39Å; E149-K201 HydrophobicContact CG-CB 4.31Å
150E98.6Very high97.4Very high3 Ų337 Ų371%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-161.5165.3-176.867.6-165.3154.200111S119 V120 V152 P177 H179 K201S119-E150 WeakPolarHBondContact CA-O 3.22Å; S119-E150 WeakPolarHBondContact OG-CG 3.19Å; S119-E150 PolarHBondContact OG-OE1 2.81Å; V120-E150 PolarHBondContact N-O 3.37Å; E150-V152 HydrophobicContact CG-CG2 4.05Å; E150-P177 WeakPolarHBondContact CA-O 3.46Å; E150-P177 HydrophobicContact CB-CB 4.23Å; E150-H179 IonicContact OE2-CD2 3.04Å; E150-H179 PolarHBondContact OE2-CD2 3.1Å; E150-H179 VanDerWaalsContact OE2-CD2 3.3Å; E150-H179 IonicContact OE2-NE2 2.75Å; E150-K201 VanDerWaalsContact OE1-CB 3.26Å; E150-K201 WeakPolarHBondContact OE1-CB 3.45Å; E150-K201 WeakPolarHBondContact OE1-CG 3.4Å; E150-K201 PolarHBondContact OE1-N 3.14Å; E150-K201 IonicContact OE2-NZ 2.8Å; E150-K201 PolarHBondContact OE2-NZ 3.49Å
151I98.9Very high97.4Very high0 Ų041.3 Ų41.30%020%0.199CC..EExtended strand (participates in β ladder)trans-114.4125.5167.2-56.8175.2000108.4V120 I122 V136 V139 I140 L148 L153 V176 P177 V178 H179V120-I151 HydrophobicContact CB-CG1 4.38Å; V120-I151 CarbonylContact O-C 3.58Å; V120-I151 WeakPolarHBondContact O-CA 3.43Å; I122-I151 HydrophobicContact CD1-CG2 3.98Å; V136-I151 HydrophobicContact CG1-CD1 4.16Å; V139-I151 HydrophobicContact CB-CD1 4.15Å; V139-I151 HydrophobicContact CG1-CD1 3.75Å; V139-I151 HydrophobicContact CG1-CG1 4.18Å; I140-I151 HydrophobicContact CD1-CD1 4.12Å; I140-I151 HydrophobicContact CG1-CD1 3.66Å; L148-I151 HydrophobicContact CD1-CG1 4.28Å; L148-I151 HydrophobicContact CD2-CD1 4.45Å; L148-I151 HydrophobicContact CD2-CG1 4.47Å; I151-L153 HydrophobicContact CG2-CD2 3.91Å; I151-L153 HydrophobicContact CG2-CG 4.39Å; I151-V176 HydrophobicContact CG1-CG1 4.47Å; I151-P177 PolarHBondContact N-O 3.17Å; I151-V178 HydrophobicContact CB-CB 4.48Å; I151-V178 HydrophobicContact CB-CG1 4.18Å; I151-V178 HydrophobicContact CB-CG2 4.06Å; I151-V178 HydrophobicContact CD1-CG2 4.23Å; I151-V178 HydrophobicContact CG1-CG2 4.47Å; I151-V178 HydrophobicContact CG2-CG1 4.29Å; I151-V178 CarbonylContact O-C 3.48Å; I151-V178 WeakPolarHBondContact O-CA 3.48Å; I151-H179 PolarHBondContact O-N 2.9Å
152V98.8Very high97.3Very high2 Ų241 Ų411%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-107.7104.3178.2-174.10000108.8V120 V121 I122 E150 V154 I181V120-V152 PolarHBondContact O-N 3.21Å; V121-V152 WeakPolarHBondContact CA-O 3.44Å; V121-V152 HydrophobicContact CG2-CB 4.27Å; I122-V152 PolarHBondContact N-O 2.65Å; E150-V152 HydrophobicContact CG-CG2 4.05Å; V152-V154 HydrophobicContact CG1-CG2 4.09Å; V152-I181 HydrophobicContact CG1-CD1 3.49Å; V152-I181 VanDerWaalsContact CG1-CD1 3.49Å; V152-I181 HydrophobicContact CG1-CG1 4.12Å
153L98.8Very high97.3Very high0 Ų039.2 Ų39.20%019%0.187CC..EExtended strand (participates in β ladder)trans-86118.6173-58.2-176.3000109I122 F124 L132 V136 I151 V171 V178 H179 V180 I181I122-L153 HydrophobicContact CB-CD2 3.78Å; I122-L153 HydrophobicContact CD1-CD2 4Å; I122-L153 HydrophobicContact CG1-CD2 4.44Å; I122-L153 HydrophobicContact CG2-CD2 4.22Å; I122-L153 CarbonylContact O-C 3.5Å; I122-L153 WeakPolarHBondContact O-CA 3.44Å; F124-L153 HydrophobicContact CD1-CB 4.47Å; F124-L153 HydrophobicContact CE1-CB 3.95Å; L132-L153 HydrophobicContact CD1-CD2 4.46Å; V136-L153 HydrophobicContact CG2-CD1 4.23Å; V136-L153 HydrophobicContact CG2-CD2 3.85Å; I151-L153 HydrophobicContact CG2-CD2 3.91Å; I151-L153 HydrophobicContact CG2-CG 4.39Å; L153-V171 HydrophobicContact CD1-CG1 4.04Å; L153-V178 HydrophobicContact CD1-CG1 3.75Å; L153-V178 HydrophobicContact CG-CG1 3.86Å; L153-H179 PolarHBondContact N-O 3.18Å; L153-V180 HydrophobicContact CB-CG2 4.32Å; L153-V180 HydrophobicContact CD1-CG2 4.24Å; L153-V180 CarbonylContact O-C 3.53Å; L153-V180 WeakPolarHBondContact O-CA 3.46Å; L153-I181 PolarHBondContact O-N 3.28Å
154V98.6Very high97.3Very high0 Ų042.5 Ų42.50%020%0.2CC..EExtended strand (participates in β ladder)trans-108.7112177.8-170.80000109.5V121 I122 V123 F124 V152 M183 A192 K195V121-V154 HydrophobicContact CG1-CG2 4.24Å; I122-V154 PolarHBondContact O-N 2.7Å; V123-V154 WeakPolarHBondContact CA-O 3.4Å; V123-V154 HydrophobicContact CG2-CB 4.18Å; F124-V154 WeakPolarHBondContact CD1-O 3.39Å; F124-V154 PolarHBondContact N-O 2.92Å; V152-V154 HydrophobicContact CG1-CG2 4.09Å; V154-M183 HydrophobicContact CG1-CG 4.21Å; V154-M183 HydrophobicContact CG1-SD 4.3Å; V154-A192 HydrophobicContact CG1-CB 3.94Å; V154-K195 HydrophobicContact CG1-CB 4.47Å
155D98.4Very high97.3Very high7 Ų750.6 Ų50.64%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-85.2108.5174.9-177.616.8000110.7F124 A157 S158 I181 R182 M183F124-D155 HydrophobicContact CE1-CB 3.84Å; F124-D155 HydrophobicContact CE2-CB 3.87Å; F124-D155 HydrophobicContact CZ-CB 3.41Å; F124-D155 VanDerWaalsContact CZ-CB 3.41Å; D155-A157 PolarHBondContact O-N 2.96Å; D155-S158 WeakPolarHBondContact OD1-CA 3.4Å; D155-S158 WeakPolarHBondContact OD1-CB 3.45Å; D155-S158 PolarHBondContact OD1-N 3.19Å; D155-S158 PolarHBondContact OD1-OG 2.49Å; D155-I181 PolarHBondContact N-O 3.46Å; D155-R182 VanDerWaalsContact CG-NH1 3.34Å; D155-R182 WeakPolarHBondContact OD2-CD 3.12Å; D155-R182 IonicContact OD2-CZ 3.16Å; D155-R182 IonicContact OD2-NE 2.74Å; D155-R182 IonicContact OD2-NH1 3.28Å; D155-R182 PolarHBondContact OD2-NH1 3.18Å; D155-M183 WeakPolarHBondContact O-CB 3.48Å; D155-M183 WeakPolarHBondContact O-CG 3.37Å; D155-M183 PolarHBondContact O-N 2.75Å
156D96.8Very high97.4Very high6 Ų647.1 Ų47.13%0.03222%0.222CC..SBendtrans-81.762.6174.5-174.734.4000110.9F124 H125 M183 S187 G188 A192F124-D156 PolarHBondContact O-N 3.35Å; H125-D156 HydrophobicContact CB-CB 4.32Å; H125-D156 PolarHBondContact ND1-O 3.39Å; D156-M183 HydrophobicContact CB-SD 4.3Å; D156-S187 PolarHBondContact OD1-N 2.95Å; D156-G188 PolarHBondContact OD1-N 3.4Å; D156-G188 VanDerWaalsContact OD2-CA 3.23Å; D156-G188 WeakPolarHBondContact OD2-CA 3.29Å; D156-G188 PolarHBondContact OD2-N 2.92Å; D156-A192 HydrophobicContact CB-CB 4.13Å
157A96Very high97.5Very high24 Ų2441.5 Ų41.520%0.19820%0.196CC..SBendtrans55.857.1177.900000114.4H125 D155 R186H125-A157 PolarHBondContact CE1-O 3.18Å; H125-A157 VanDerWaalsContact CE1-O 3.31Å; H125-A157 PolarHBondContact ND1-O 3.41Å; D155-A157 PolarHBondContact O-N 2.96Å; A157-R186 HydrophobicContact CB-CB 4.16Å
158S96.6Very high97.5Very high10 Ų1043.7 Ų43.77%0.0721%0.206CC..  trans-67.5144.2172.7-61.10000112.7H125 N126 D155H125-S158 WeakPolarHBondContact CA-OG 3.42Å; N126-S158 PolarHBondContact N-OG 3.09Å; D155-S158 WeakPolarHBondContact OD1-CA 3.4Å; D155-S158 WeakPolarHBondContact OD1-CB 3.45Å; D155-S158 PolarHBondContact OD1-N 3.19Å; D155-S158 PolarHBondContact OD1-OG 2.49Å
159E94.9Very high97.5Very high144 Ų14447.9 Ų47.967%0.67323%0.228SC*.  trans-93.9-28.6-177.8-64.6172.3177.200112N126 D161 K164N126-E159 PolarHBondContact OD1-N 2.78Å; E159-D161 PolarHBondContact O-N 2.8Å; E159-K164 WeakPolarHBondContact O-CE 3.42Å; E159-K164 PolarHBondContact O-NZ 3.23Å
160R94.9Very high97.5Very high54 Ų5447.7 Ų47.720%0.20423%0.225CC..  trans-68.3125.6-174.1-56.7-175.3-174.9-175.43.4112.5I81 N82 N126 F162 L163I81-R160 PolarHBondContact O-NH2 3.23Å; I81-R160 VanDerWaalsContact O-NH2 3.16Å; N82-R160 PolarHBondContact OD1-NH1 3.18Å; N82-R160 PolarHBondContact OD1-NH2 2.84Å; N126-R160 PolarHBondContact O-NE 2.84Å; N126-R160 PolarHBondContact O-NH1 2.83Å; N126-R160 PolarHBondContact O-NH2 2.72Å; R160-F162 VanDerWaalsContact C-N 3.33Å; R160-F162 HydrophobicContact CB-CD1 4.14Å; R160-F162 HydrophobicContact CB-CE1 3.75Å; R160-F162 HydrophobicContact CB-CE2 4.31Å; R160-F162 HydrophobicContact CB-CZ 3.85Å; R160-F162 HydrophobicContact CG-CE1 4.21Å; R160-F162 HydrophobicContact CG-CZ 4.19Å; R160-F162 PolarHBondContact O-N 2.83Å; R160-L163 HydrophobicContact CB-CD1 4.13Å; R160-L163 HydrophobicContact CB-CG 4.32Å; R160-L163 WeakPolarHBondContact O-CB 3.34Å; R160-L163 PolarHBondContact O-N 3.37Å
161D97.3Very high97.5Very high116 Ų11647.7 Ų47.762%0.6223%0.225SC*.G310 helixtrans-63.2-33.3-172.5-72.2-30.3000114.7E159 L163 K164 P166E159-D161 PolarHBondContact O-N 2.8Å; D161-L163 PolarHBondContact O-N 3.27Å; D161-K164 WeakPolarHBondContact O-CB 3.48Å; D161-K164 PolarHBondContact O-N 3.36Å; D161-K164 IonicContact OD1-NZ 3.82Å; D161-K164 PolarHBondContact OD1-NZ 3.15Å; D161-P166 WeakPolarHBondContact O-CD 3.33Å
162F96.9Very high97.3Very high77 Ų7755 Ų5534%0.33826%0.257SS..G310 helixtrans-63.3-23.8176.561.1-106.3000112.7E127 W129 R160 K164 L167E127-F162 WeakPolarHBondContact O-CE2 3.37Å; W129-F162 HydrophobicContact CB-CD2 4.04Å; W129-F162 HydrophobicContact CB-CE2 4.03Å; W129-F162 HydrophobicContact CE3-CB 4.36Å; W129-F162 AromaticContact CE3-CD2 4Å; W129-F162 HydrophobicContact CE3-CD2 4Å; W129-F162 VanDerWaalsContact CZ3-O 3.29Å; W129-F162 WeakPolarHBondContact CZ3-O 3.45Å; R160-F162 VanDerWaalsContact C-N 3.33Å; R160-F162 HydrophobicContact CB-CD1 4.14Å; R160-F162 HydrophobicContact CB-CE1 3.75Å; R160-F162 HydrophobicContact CB-CE2 4.31Å; R160-F162 HydrophobicContact CB-CZ 3.85Å; R160-F162 HydrophobicContact CG-CE1 4.21Å; R160-F162 HydrophobicContact CG-CZ 4.19Å; R160-F162 PolarHBondContact O-N 2.83Å; F162-K164 VanDerWaalsContact C-N 3.28Å; F162-K164 PolarHBondContact O-N 3.09Å; F162-L167 PolarHBondContact O-N 2.99Å
163L97.8Very high97.2Very high0 Ų063.4 Ų63.40%029%0.293CS..G310 helixtrans-79-10.5176.6-65.8175.1000112.9F124 L132 R160 D161 L167 R182F124-L163 HydrophobicContact CD2-CD1 4.19Å; F124-L163 HydrophobicContact CD2-CD2 4.32Å; F124-L163 HydrophobicContact CE2-CB 4.12Å; F124-L163 HydrophobicContact CE2-CD1 4.12Å; F124-L163 HydrophobicContact CE2-CD2 4.04Å; F124-L163 HydrophobicContact CE2-CG 4.31Å; L132-L163 HydrophobicContact CD2-CD2 3.72Å; R160-L163 HydrophobicContact CB-CD1 4.13Å; R160-L163 HydrophobicContact CB-CG 4.32Å; R160-L163 WeakPolarHBondContact O-CB 3.34Å; R160-L163 PolarHBondContact O-N 3.37Å; D161-L163 PolarHBondContact O-N 3.27Å; L163-L167 HydrophobicContact CD2-CD2 4.48Å; L163-L167 WeakPolarHBondContact O-CB 2.98Å; L163-L167 WeakPolarHBondContact O-CD2 3.32Å; L163-R182 PolarHBondContact O-NH1 3.15Å; L163-R182 PolarHBondContact O-NH2 3.28Å
164K96.8Very high97.1Very high81 Ų8165 Ų6535%0.35230%0.302SS..THydrogen-bonded Turntrans-86.7-122.5-176-59.4175.8-170.7156.50111.1E159 D161 F162 P166 L167 E168 R182E159-K164 WeakPolarHBondContact O-CE 3.42Å; E159-K164 PolarHBondContact O-NZ 3.23Å; D161-K164 WeakPolarHBondContact O-CB 3.48Å; D161-K164 PolarHBondContact O-N 3.36Å; D161-K164 IonicContact OD1-NZ 3.82Å; D161-K164 PolarHBondContact OD1-NZ 3.15Å; F162-K164 VanDerWaalsContact C-N 3.28Å; F162-K164 PolarHBondContact O-N 3.09Å; K164-P166 VanDerWaalsContact C-N 3.33Å; K164-L167 PolarHBondContact O-N 3.26Å; K164-E168 PolarHBondContact O-N 3.33Å; K164-R182 VanDerWaalsContact C-NH2 3.32Å; K164-R182 VanDerWaalsContact CA-NH2 3.32Å; K164-R182 PolarHBondContact O-NH2 2.95Å
165R97.2Very high96.9Very high196 Ų19674.1 Ų74.174%0.7434%0.341SS*.Hα-helixtrans-53.4-38.6178.1-67-178.6179.9172.90.3114.1L167 E168 N169R165-L167 PolarHBondContact O-N 3.4Å; R165-E168 PolarHBondContact O-N 3.35Å; R165-N169 WeakPolarHBondContact O-CB 3.33Å; R165-N169 VanDerWaalsContact O-CG 3.27Å; R165-N169 PolarHBondContact O-N 2.85Å; R165-N169 PolarHBondContact O-ND2 3.27Å
166P98.2Very high96.8Very high61 Ų6174.1 Ų74.140%0.39634%0.341SS..Hα-helixtrans-60.6-42.1178.9-25.436.9000113W129 D161 K164 N169 Y170W129-P166 HydrophobicContact CZ3-CB 4.5Å; D161-P166 WeakPolarHBondContact O-CD 3.33Å; K164-P166 VanDerWaalsContact C-N 3.33Å; P166-N169 PolarHBondContact O-N 3.22Å; P166-Y170 PolarHBondContact O-N 3.33Å
167L98.4Very high96.8Very high0 Ų076.4 Ų76.40%036%0.356CS..Hα-helixtrans-61.2-48.5175.3-179.663.9000111.6F124 W129 L132 L133 F162 L163 K164 R165 N169 Y170 V171F124-L167 HydrophobicContact CE1-CD2 4.3Å; F124-L167 HydrophobicContact CE2-CD2 4.18Å; F124-L167 HydrophobicContact CZ-CD2 3.62Å; W129-L167 HydrophobicContact CZ3-CB 4.03Å; W129-L167 HydrophobicContact CZ3-CD1 4.13Å; L132-L167 HydrophobicContact CD2-CD1 4.06Å; L132-L167 HydrophobicContact CD2-CD2 3.89Å; L133-L167 HydrophobicContact CD2-CD1 3.95Å; F162-L167 PolarHBondContact O-N 2.99Å; L163-L167 HydrophobicContact CD2-CD2 4.48Å; L163-L167 WeakPolarHBondContact O-CB 2.98Å; L163-L167 WeakPolarHBondContact O-CD2 3.32Å; K164-L167 PolarHBondContact O-N 3.26Å; R165-L167 PolarHBondContact O-N 3.4Å; L167-N169 VanDerWaalsContact C-N 3.3Å; L167-N169 PolarHBondContact O-N 2.82Å; L167-Y170 WeakPolarHBondContact O-CB 3.31Å; L167-Y170 PolarHBondContact O-N 3.45Å; L167-Y170 VanDerWaalsContact O-N 3.1Å; L167-V171 HydrophobicContact CD1-CG1 3.91Å; L167-V171 HydrophobicContact CG-CG1 4.39Å; L167-V171 WeakPolarHBondContact O-CG1 3.11Å; L167-V171 WeakPolarHBondContact O-CG2 3.44Å; L167-V171 PolarHBondContact O-N 2.98Å
168E97.3Very high97Very high56 Ų5675.8 Ų75.826%0.26235%0.35SS..Hα-helixtrans-58.3-42.2178.2-74.7163.4-154.300112.2K164 R165 Y170 K172 V180 R182K164-E168 PolarHBondContact O-N 3.33Å; R165-E168 PolarHBondContact O-N 3.35Å; E168-Y170 VanDerWaalsContact C-N 3.31Å; E168-Y170 PolarHBondContact O-N 3.31Å; E168-K172 WeakPolarHBondContact O-CB 3.36Å; E168-K172 WeakPolarHBondContact O-CD 3.36Å; E168-K172 WeakPolarHBondContact O-CG 3.47Å; E168-K172 PolarHBondContact O-N 2.88Å; E168-V180 HydrophobicContact CG-CB 4.08Å; E168-V180 HydrophobicContact CG-CG2 4.06Å; E168-R182 IonicContact OE1-CZ 3.75Å; E168-R182 IonicContact OE1-NE 2.75Å; E168-R182 PolarHBondContact OE1-NE 2.99Å; E168-R182 VanDerWaalsContact OE1-NE 3.09Å; E168-R182 IonicContact OE1-NH2 3Å; E168-R182 PolarHBondContact OE1-NH2 3.21Å
169N97.9Very high96.9Very high89 Ų8979.1 Ų79.148%0.47637%0.365SS..Hα-helixtrans-68-31.7177.9-71.3-19.4000112.7R165 P166 L167 K173R165-N169 WeakPolarHBondContact O-CB 3.33Å; R165-N169 VanDerWaalsContact O-CG 3.27Å; R165-N169 PolarHBondContact O-N 2.85Å; R165-N169 PolarHBondContact O-ND2 3.27Å; P166-N169 PolarHBondContact O-N 3.22Å; L167-N169 VanDerWaalsContact C-N 3.3Å; L167-N169 PolarHBondContact O-N 2.82Å; N169-K173 WeakPolarHBondContact O-CE 3.49Å
170Y98.2Very high97.1Very high75 Ų7573.8 Ų73.829%0.29434%0.342SS..Hα-helixtrans-70.6-54176-174.4-85.3000110.9W129 L133 H137 P166 L167 E168 K172 K173 L174W129-Y170 HydrophobicContact CH2-CD2 4.31Å; W129-Y170 HydrophobicContact CH2-CG 4.14Å; W129-Y170 AromaticContact CZ2-CD2 3.85Å; W129-Y170 HydrophobicContact CZ2-CD2 3.85Å; W129-Y170 HydrophobicContact CZ2-CE2 4.43Å; W129-Y170 HydrophobicContact CZ2-CG 4.06Å; L133-Y170 HydrophobicContact CD1-CD1 3.76Å; L133-Y170 HydrophobicContact CD1-CD2 4.31Å; L133-Y170 HydrophobicContact CD1-CE1 3.57Å; L133-Y170 HydrophobicContact CD1-CE2 4.13Å; L133-Y170 HydrophobicContact CD1-CG 4.14Å; L133-Y170 HydrophobicContact CD2-CD1 3.63Å; L133-Y170 HydrophobicContact CD2-CE1 3.69Å; L133-Y170 HydrophobicContact CG-CD1 4.38Å; L133-Y170 HydrophobicContact CG-CE1 4.21Å; H137-Y170 AromaticContact NE2-CE1 3.72Å; H137-Y170 AromaticContact NE2-CZ 3.72Å; H137-Y170 PolarHBondContact NE2-OH 3.08Å; P166-Y170 PolarHBondContact O-N 3.33Å; L167-Y170 WeakPolarHBondContact O-CB 3.31Å; L167-Y170 PolarHBondContact O-N 3.45Å; L167-Y170 VanDerWaalsContact O-N 3.1Å; E168-Y170 VanDerWaalsContact C-N 3.31Å; E168-Y170 PolarHBondContact O-N 3.31Å; Y170-K172 VanDerWaalsContact C-N 3.31Å; Y170-K172 PolarHBondContact O-N 3.44Å; Y170-K173 PolarHBondContact O-N 3.32Å; Y170-K173 VanDerWaalsContact O-N 3.17Å; Y170-L174 HydrophobicContact CE1-CD2 4.19Å
171V97.8Very high97.3Very high4 Ų472.8 Ų72.82%0.02434%0.34CS..Hα-helixtrans-70.3-26.4-171-57.80000113.4L133 L153 L167 K173 L174 V178 V180L133-V171 HydrophobicContact CD2-CG1 4.3Å; L153-V171 HydrophobicContact CD1-CG1 4.04Å; L167-V171 HydrophobicContact CD1-CG1 3.91Å; L167-V171 HydrophobicContact CG-CG1 4.39Å; L167-V171 WeakPolarHBondContact O-CG1 3.11Å; L167-V171 WeakPolarHBondContact O-CG2 3.44Å; L167-V171 PolarHBondContact O-N 2.98Å; V171-K173 PolarHBondContact O-N 3.33Å; V171-K173 VanDerWaalsContact O-N 3.1Å; V171-L174 HydrophobicContact CB-CD1 4.08Å; V171-L174 HydrophobicContact CG1-CD1 4.23Å; V171-L174 WeakPolarHBondContact O-CB 3.39Å; V171-L174 WeakPolarHBondContact O-CG 3.37Å; V171-L174 PolarHBondContact O-N 3.18Å; V171-L174 VanDerWaalsContact O-N 3.14Å; V171-V178 HydrophobicContact CB-CB 3.91Å; V171-V178 HydrophobicContact CB-CG1 3.75Å; V171-V178 HydrophobicContact CG1-CG1 4.09Å; V171-V178 HydrophobicContact CG2-CB 4.33Å; V171-V178 HydrophobicContact CG2-CG1 4.1Å; V171-V180 HydrophobicContact CG2-CG2 3.82Å
172K96.3Very high97.3Very high152 Ų15270.8 Ų70.866%0.66132%0.324SS*.THydrogen-bonded Turntrans-58.2-20.6172.9-81.2172.8-175.1175.70114.2E168 Y170E168-K172 WeakPolarHBondContact O-CB 3.36Å; E168-K172 WeakPolarHBondContact O-CD 3.36Å; E168-K172 WeakPolarHBondContact O-CG 3.47Å; E168-K172 PolarHBondContact O-N 2.88Å; Y170-K172 VanDerWaalsContact C-N 3.31Å; Y170-K172 PolarHBondContact O-N 3.44Å
173K96.7Very high97.3Very high179 Ų17968.8 Ų68.878%0.77832%0.316SS*.THydrogen-bonded Turntrans-93.7-2.9-177.8-57177.5-174.5177.50113.1N169 Y170 V171N169-K173 WeakPolarHBondContact O-CE 3.49Å; Y170-K173 PolarHBondContact O-N 3.32Å; Y170-K173 VanDerWaalsContact O-N 3.17Å; V171-K173 PolarHBondContact O-N 3.33Å; V171-K173 VanDerWaalsContact O-N 3.1Å
174L96.9Very high97.1Very high34 Ų3478.6 Ų78.618%0.17836%0.362CS..SBendtrans-76.8154.8-177.1-61.8174.6000111.3V136 I140 Y170 V171 V176 V178V136-L174 HydrophobicContact CG1-CD1 3.69Å; I140-L174 HydrophobicContact CD1-CB 4.12Å; I140-L174 HydrophobicContact CD1-CD1 3.91Å; I140-L174 HydrophobicContact CD1-CG 4.41Å; Y170-L174 HydrophobicContact CE1-CD2 4.19Å; V171-L174 HydrophobicContact CB-CD1 4.08Å; V171-L174 HydrophobicContact CG1-CD1 4.23Å; V171-L174 WeakPolarHBondContact O-CB 3.39Å; V171-L174 WeakPolarHBondContact O-CG 3.37Å; V171-L174 PolarHBondContact O-N 3.18Å; V171-L174 VanDerWaalsContact O-N 3.14Å; L174-V176 PolarHBondContact O-N 3.17Å; L174-V178 HydrophobicContact CB-CG2 4.3Å; L174-V178 HydrophobicContact CD1-CB 4.49Å; L174-V178 HydrophobicContact CD1-CG2 3.81Å
175K94.1Very high96.9Very high192 Ų19281.5 Ų81.584%0.83538%0.377SS*.SBendtrans-71.5-16-176.5-62.4-179.1-179.5177.80113.9
176V95.8Very high96.6Very high6 Ų675 Ų754%0.03635%0.352CS..SBendtrans-111.3141.2178.2177.20000107.4I140 L148 I151 L174 V178I140-V176 HydrophobicContact CD1-CB 4.28Å; I140-V176 HydrophobicContact CG1-CB 4.13Å; I140-V176 HydrophobicContact CG1-CG2 4.01Å; I140-V176 HydrophobicContact CG2-CG2 4.02Å; L148-V176 HydrophobicContact CD2-CB 4.49Å; L148-V176 HydrophobicContact CD2-CG1 3.83Å; L148-V176 HydrophobicContact CD2-CG2 4.05Å; L148-V176 HydrophobicContact CG-CG1 3.93Å; I151-V176 HydrophobicContact CG1-CG1 4.47Å; L174-V176 PolarHBondContact O-N 3.17Å; V176-V178 WeakPolarHBondContact O-CG2 3.5Å; V176-V178 PolarHBondContact O-N 2.65Å; V176-V178 VanDerWaalsContact O-N 3.08Å
177P97.7Very high96.2Very high54 Ų5472.9 Ų72.935%0.35134%0.339SS..  trans-56.5115.5172.4-23.434000110.6E150 I151E150-P177 WeakPolarHBondContact CA-O 3.46Å; E150-P177 HydrophobicContact CB-CB 4.23Å; I151-P177 PolarHBondContact N-O 3.17Å
178V98.4Very high95.8Very high12 Ų1273 Ų737%0.07334%0.339CS..EExtended strand (participates in β ladder)trans-119.2120.3174.3-174.80000108.7V136 I140 I151 L153 V171 L174 V176V136-V178 HydrophobicContact CG1-CG2 4.44Å; I140-V178 HydrophobicContact CD1-CG2 4.41Å; I151-V178 HydrophobicContact CB-CB 4.48Å; I151-V178 HydrophobicContact CB-CG1 4.18Å; I151-V178 HydrophobicContact CB-CG2 4.06Å; I151-V178 HydrophobicContact CD1-CG2 4.23Å; I151-V178 HydrophobicContact CG1-CG2 4.47Å; I151-V178 HydrophobicContact CG2-CG1 4.29Å; I151-V178 CarbonylContact O-C 3.48Å; I151-V178 WeakPolarHBondContact O-CA 3.48Å; L153-V178 HydrophobicContact CD1-CG1 3.75Å; L153-V178 HydrophobicContact CG-CG1 3.86Å; V171-V178 HydrophobicContact CB-CB 3.91Å; V171-V178 HydrophobicContact CB-CG1 3.75Å; V171-V178 HydrophobicContact CG1-CG1 4.09Å; V171-V178 HydrophobicContact CG2-CB 4.33Å; V171-V178 HydrophobicContact CG2-CG1 4.1Å; L174-V178 HydrophobicContact CB-CG2 4.3Å; L174-V178 HydrophobicContact CD1-CB 4.49Å; L174-V178 HydrophobicContact CD1-CG2 3.81Å; V176-V178 WeakPolarHBondContact O-CG2 3.5Å; V176-V178 PolarHBondContact O-N 2.65Å; V176-V178 VanDerWaalsContact O-N 3.08Å
179H96.4Very high95.5Very high80 Ų8071.8 Ų71.837%0.3734%0.335SS..EExtended strand (participates in β ladder)trans-111.3135.6-176.9-59.2-58.9000110.1E150 I151 L153E150-H179 IonicContact OE2-CD2 3.04Å; E150-H179 PolarHBondContact OE2-CD2 3.1Å; E150-H179 VanDerWaalsContact OE2-CD2 3.3Å; E150-H179 IonicContact OE2-NE2 2.75Å; I151-H179 PolarHBondContact O-N 2.9Å; L153-H179 PolarHBondContact N-O 3.18Å
180V98.4Very high95.3Very high32 Ų3267.6 Ų67.619%0.19431%0.312CS..EExtended strand (participates in β ladder)trans-105.9121.1173.6-171.10000109L153 E168 V171L153-V180 HydrophobicContact CB-CG2 4.32Å; L153-V180 HydrophobicContact CD1-CG2 4.24Å; L153-V180 CarbonylContact O-C 3.53Å; L153-V180 WeakPolarHBondContact O-CA 3.46Å; E168-V180 HydrophobicContact CG-CB 4.08Å; E168-V180 HydrophobicContact CG-CG2 4.06Å; V171-V180 HydrophobicContact CG2-CG2 3.82Å
181I98.1Very high95.1Very high32 Ų3267.6 Ų67.616%0.16431%0.312CS..EExtended strand (participates in β ladder)trans-105.3125.8174.3-59178.8000107.9V152 L153 D155 K195 A199V152-I181 HydrophobicContact CG1-CD1 3.49Å; V152-I181 VanDerWaalsContact CG1-CD1 3.49Å; V152-I181 HydrophobicContact CG1-CG1 4.12Å; L153-I181 PolarHBondContact O-N 3.28Å; D155-I181 PolarHBondContact N-O 3.46Å; I181-K195 HydrophobicContact CG2-CG 3.86Å; I181-A199 HydrophobicContact CD1-CB 3.36Å
182R97.7Very high95.1Very high75 Ų7567.4 Ų67.428%0.28331%0.311SS..EExtended strand (participates in β ladder)trans-98.1132.4177.2-57-61.8-177.8178.5-8.5110.6D155 L163 K164 E168D155-R182 VanDerWaalsContact CG-NH1 3.34Å; D155-R182 WeakPolarHBondContact OD2-CD 3.12Å; D155-R182 IonicContact OD2-CZ 3.16Å; D155-R182 IonicContact OD2-NE 2.74Å; D155-R182 IonicContact OD2-NH1 3.28Å; D155-R182 PolarHBondContact OD2-NH1 3.18Å; L163-R182 PolarHBondContact O-NH1 3.15Å; L163-R182 PolarHBondContact O-NH2 3.28Å; K164-R182 VanDerWaalsContact C-NH2 3.32Å; K164-R182 VanDerWaalsContact CA-NH2 3.32Å; K164-R182 PolarHBondContact O-NH2 2.95Å; E168-R182 IonicContact OE1-CZ 3.75Å; E168-R182 IonicContact OE1-NE 2.75Å; E168-R182 PolarHBondContact OE1-NE 2.99Å; E168-R182 VanDerWaalsContact OE1-NE 3.09Å; E168-R182 IonicContact OE1-NH2 3Å; E168-R182 PolarHBondContact OE1-NH2 3.21Å
183M96.2Very high95.1Very high34 Ų3460.3 Ų60.317%0.16728%0.28CS..  trans-89138.8165.8-58.6-165.272.200109.9V154 D155 D156 Q185 S187 R191 A192V154-M183 HydrophobicContact CG1-CG 4.21Å; V154-M183 HydrophobicContact CG1-SD 4.3Å; D155-M183 WeakPolarHBondContact O-CB 3.48Å; D155-M183 WeakPolarHBondContact O-CG 3.37Å; D155-M183 PolarHBondContact O-N 2.75Å; D156-M183 HydrophobicContact CB-SD 4.3Å; M183-Q185 VanDerWaalsContact C-N 3.31Å; M183-S187 VanDerWaalsContact CE-CB 3.4Å; M183-S187 WeakPolarHBondContact CE-OG 3.28Å; M183-R191 HydrophobicContact CE-CB 4.41Å; M183-A192 VanDerWaalsContact SD-CA 3.56Å; M183-A192 HydrophobicContact SD-CB 3.59Å; M183-A192 VanDerWaalsContact SD-CB 3.59Å
184E93.6Very high95.1Very high206 Ų20653.4 Ų53.496%0.96325%0.251SS*.SBendtrans-69.1-31.9-179.5-65.6177.3-179.800112.5
185Q92.8Very high95.2Very high142 Ų14257.2 Ų57.266%0.66427%0.266SS*.SBendtrans-140153.6-179.866.8-178.82.400110.7M183 S187M183-Q185 VanDerWaalsContact C-N 3.31Å; Q185-S187 PolarHBondContact O-N 2.99Å; Q185-S187 PolarHBondContact O-OG 2.93Å
186R91.1Very high95.3Very high61 Ų6148 Ų4823%0.2323%0.226CC..  trans-66.2107177.4-173.2164.6179.7-104.7-5.6110.4H125 A157 T353H125-R186 PolarHBondContact NE2-NE 3.03Å; A157-R186 HydrophobicContact CB-CB 4.16Å; R186-T353 PolarHBondContact NH1-O 3.17Å; R186-T353 PolarHBondContact NH1-OG1 2.72Å; R186-T353 VanDerWaalsContact NH1-OG1 3.14Å; R186-T353 PolarHBondContact NH2-O 3.36Å
187S89.4Confident95.4Very high16 Ų1648.1 Ų48.111%0.11223%0.227CC..  trans-112.7-15.2-169.1-61.10000112.9D156 M183 Q185 R191D156-S187 PolarHBondContact OD1-N 2.95Å; M183-S187 VanDerWaalsContact CE-CB 3.4Å; M183-S187 WeakPolarHBondContact CE-OG 3.28Å; Q185-S187 PolarHBondContact O-N 2.99Å; Q185-S187 PolarHBondContact O-OG 2.93Å; S187-R191 PolarHBondContact O-NH1 3.33Å
188G90.5Very high95.4Very high1 Ų149.5 Ų49.51%0.0124%0.243CC..BIsolated β-bridgetrans102.3162.3178.400000114.6D156 I190 R191 A192D156-G188 PolarHBondContact OD1-N 3.4Å; D156-G188 VanDerWaalsContact OD2-CA 3.23Å; D156-G188 WeakPolarHBondContact OD2-CA 3.29Å; D156-G188 PolarHBondContact OD2-N 2.92Å; G188-I190 PolarHBondContact O-N 2.79Å; G188-R191 PolarHBondContact O-N 2.8Å; G188-A192 WeakPolarHBondContact O-CB 3.31Å; G188-A192 PolarHBondContact O-N 2.8Å
189L91.4Very high95.4Very high32 Ų3251 Ų5117%0.16826%0.257CS..Hα-helixtrans-51.2-44.6178.2177.864000111.6V123 A192 R193 I315V123-L189 HydrophobicContact CB-CD1 3.9Å; V123-L189 HydrophobicContact CG1-CD1 3.9Å; V123-L189 HydrophobicContact CG2-CD1 4.37Å; L189-A192 PolarHBondContact O-N 3.49Å; L189-R193 HydrophobicContact CD1-CG 4.22Å; L189-R193 WeakPolarHBondContact O-CB 3.24Å; L189-R193 VanDerWaalsContact O-CG 3.32Å; L189-R193 WeakPolarHBondContact O-CG 3.5Å; L189-R193 PolarHBondContact O-N 3.27Å; L189-I315 WeakPolarHBondContact CB-O 3.47Å; L189-I315 PolarHBondContact N-O 2.84Å
190I93.1Very high95.4Very high1 Ų147.6 Ų47.61%0.00524%0.242CC..Hα-helixtrans-63.8-51.9-173.7-55.8172.8000110.7G188 R193 L194 Y309 M313 E319G188-I190 PolarHBondContact O-N 2.79Å; I190-R193 PolarHBondContact O-N 2.82Å; I190-L194 WeakPolarHBondContact O-CG 3.38Å; I190-L194 PolarHBondContact O-N 3.15Å; I190-Y309 HydrophobicContact CG2-CG 4.03Å; I190-M313 HydrophobicContact CD1-CB 3.31Å; I190-M313 HydrophobicContact CD1-CG 4.34Å; I190-M313 HydrophobicContact CD1-SD 4.16Å; I190-E319 HydrophobicContact CD1-CB 3.71Å; I190-E319 HydrophobicContact CD1-CG 4.22Å; I190-E319 HydrophobicContact CG1-CB 3.93Å; I190-E319 HydrophobicContact CG1-CG 3.97Å
191R95.2Very high95.4Very high74 Ų7451.9 Ų51.928%0.27926%0.258SS..Hα-helixtrans-70.5-34.2-179-65.2-174.8-177106.92112M183 S187 G188 L194 K195 A311 M313 D314M183-R191 HydrophobicContact CE-CB 4.41Å; S187-R191 PolarHBondContact O-NH1 3.33Å; G188-R191 PolarHBondContact O-N 2.8Å; R191-L194 WeakPolarHBondContact O-CB 3.45Å; R191-L194 PolarHBondContact O-N 2.89Å; R191-K195 PolarHBondContact O-N 2.78Å; R191-A311 PolarHBondContact NE-O 2.82Å; R191-A311 VanDerWaalsContact NE-O 3.1Å; R191-A311 PolarHBondContact NH2-O 3.09Å; R191-M313 PolarHBondContact NH2-O 3.48Å; R191-D314 IonicContact CZ-OD1 2.83Å; R191-D314 VanDerWaalsContact CZ-OD1 3.24Å; R191-D314 IonicContact NH1-OD1 3.44Å; R191-D314 PolarHBondContact NH1-OD1 3.1Å; R191-D314 IonicContact NH2-OD1 2.94Å; R191-D314 PolarHBondContact NH2-OD1 3.22Å
192A96.7Very high95.4Very high0 Ų050.3 Ų50.30%025%0.25CS..Hα-helixtrans-64-42.6172.400000112V123 V154 D156 M183 G188 L189 L194 K195 G196V123-A192 HydrophobicContact CB-CB 4.28Å; V123-A192 HydrophobicContact CG1-CB 3.43Å; V123-A192 VanDerWaalsContact CG1-CB 3.43Å; V123-A192 HydrophobicContact CG2-CB 3.8Å; V154-A192 HydrophobicContact CG1-CB 3.94Å; D156-A192 HydrophobicContact CB-CB 4.13Å; M183-A192 VanDerWaalsContact SD-CA 3.56Å; M183-A192 HydrophobicContact SD-CB 3.59Å; M183-A192 VanDerWaalsContact SD-CB 3.59Å; G188-A192 WeakPolarHBondContact O-CB 3.31Å; G188-A192 PolarHBondContact O-N 2.8Å; L189-A192 PolarHBondContact O-N 3.49Å; A192-L194 VanDerWaalsContact C-N 3.35Å; A192-L194 PolarHBondContact O-N 2.88Å; A192-K195 WeakPolarHBondContact O-CB 3.49Å; A192-K195 PolarHBondContact O-N 2.87Å; A192-G196 PolarHBondContact O-N 3.4Å
193R97.2Very high95.5Very high3 Ų351.9 Ų51.91%0.01126%0.261CS..Hα-helixtrans-61.9-41.6173.4-77.1-176.6178.9177.8-6.6112V123 L189 I190 K195 G196 A197 F207 D209 G293 G294 Y309V123-R193 HydrophobicContact CG2-CB 4.39Å; V123-R193 HydrophobicContact CG2-CG 3.6Å; L189-R193 HydrophobicContact CD1-CG 4.22Å; L189-R193 WeakPolarHBondContact O-CB 3.24Å; L189-R193 VanDerWaalsContact O-CG 3.32Å; L189-R193 WeakPolarHBondContact O-CG 3.5Å; L189-R193 PolarHBondContact O-N 3.27Å; I190-R193 PolarHBondContact O-N 2.82Å; R193-K195 VanDerWaalsContact C-N 3.32Å; R193-K195 PolarHBondContact O-N 3.06Å; R193-G196 PolarHBondContact O-N 2.81Å; R193-A197 VanDerWaalsContact O-CB 3.27Å; R193-A197 WeakPolarHBondContact O-CB 3.31Å; R193-A197 PolarHBondContact O-N 3.12Å; R193-F207 HydrophobicContact CB-CD1 4.25Å; R193-F207 HydrophobicContact CB-CE1 3.79Å; R193-F207 HydrophobicContact CG-CD1 3.88Å; R193-F207 HydrophobicContact CG-CE1 3.95Å; R193-D209 IonicContact NH2-OD1 3.27Å; R193-D209 PolarHBondContact NH2-OD1 3.2Å; R193-G293 VanDerWaalsContact CZ-O 3.24Å; R193-G293 PolarHBondContact NH1-O 2.78Å; R193-G293 PolarHBondContact NH2-O 3.4Å; R193-G294 VanDerWaalsContact NH2-CA 3.3Å; R193-G294 PolarHBondContact NH2-O 3.01Å; R193-Y309 HydrophobicContact CB-CD2 4.47Å; R193-Y309 HydrophobicContact CB-CE2 4.32Å; R193-Y309 PolarHBondContact NH1-OH 2.87Å
194L96.8Very high95.6Very high34 Ų3450.2 Ų50.218%0.17825%0.253CS..Hα-helixtrans-59.4-42.7173.9-71.8175.5000111.8I190 R191 A192 A197 A198 F303 T308 Y309 A311I190-L194 WeakPolarHBondContact O-CG 3.38Å; I190-L194 PolarHBondContact O-N 3.15Å; R191-L194 WeakPolarHBondContact O-CB 3.45Å; R191-L194 PolarHBondContact O-N 2.89Å; A192-L194 VanDerWaalsContact C-N 3.35Å; A192-L194 PolarHBondContact O-N 2.88Å; L194-A197 PolarHBondContact O-N 3.24Å; L194-A198 WeakPolarHBondContact O-CB 3.43Å; L194-A198 PolarHBondContact O-N 2.95Å; L194-F303 HydrophobicContact CD2-CZ 4.43Å; L194-T308 VanDerWaalsContact CD2-CB 3.5Å; L194-T308 HydrophobicContact CD2-CG2 4.4Å; L194-T308 WeakPolarHBondContact CD2-OG1 3.37Å; L194-Y309 HydrophobicContact CD2-CD2 4.48Å; L194-A311 HydrophobicContact CD1-CB 3.96Å
195K97.7Very high95.9Very high114 Ų11440.5 Ų40.550%0.49621%0.207SC..Hα-helixtrans-63.6-43.7177-172.968.7174.9-173.80111.9V154 I181 R191 A192 R193 A199V154-K195 HydrophobicContact CG1-CB 4.47Å; I181-K195 HydrophobicContact CG2-CG 3.86Å; R191-K195 PolarHBondContact O-N 2.78Å; A192-K195 WeakPolarHBondContact O-CB 3.49Å; A192-K195 PolarHBondContact O-N 2.87Å; R193-K195 VanDerWaalsContact C-N 3.32Å; R193-K195 PolarHBondContact O-N 3.06Å; K195-A199 PolarHBondContact O-N 3.48Å
196G97.8Very high96.1Very high0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-65.4-44.1176.200000112.7A192 R193 A198 A199 S200A192-G196 PolarHBondContact O-N 3.4Å; R193-G196 PolarHBondContact O-N 2.81Å; G196-A198 PolarHBondContact O-N 3.01Å; G196-A199 PolarHBondContact O-N 3.27Å; G196-A199 VanDerWaalsContact O-N 3.15Å; G196-S200 PolarHBondContact O-N 3.47Å
197A97.4Very high96.5Very high7 Ų730.9 Ų30.96%0.05817%0.165CC..Hα-helixtrans-59.6-44.3175.500000112R193 L194 A199 S200 I205 F207 F303R193-A197 VanDerWaalsContact O-CB 3.27Å; R193-A197 WeakPolarHBondContact O-CB 3.31Å; R193-A197 PolarHBondContact O-N 3.12Å; L194-A197 PolarHBondContact O-N 3.24Å; A197-A199 PolarHBondContact O-N 3.33Å; A197-S200 WeakPolarHBondContact O-CB 3.44Å; A197-S200 PolarHBondContact O-N 3.22Å; A197-S200 PolarHBondContact O-OG 3.1Å; A197-I205 HydrophobicContact CB-CD1 3.75Å; A197-F207 HydrophobicContact CB-CZ 4.08Å; A197-F303 HydrophobicContact CB-CD1 4.2Å; A197-F303 HydrophobicContact CB-CE1 3.71Å
198A97.5Very high97Very high83 Ų8330.3 Ų30.369%0.68616%0.161SC*.Hα-helixtrans-64.2-26177.900000113.3L194 G196L194-A198 WeakPolarHBondContact O-CB 3.43Å; L194-A198 PolarHBondContact O-N 2.95Å; G196-A198 PolarHBondContact O-N 3.01Å
199A97.8Very high97.3Very high43 Ų4331.4 Ų31.436%0.35517%0.166SC..Hα-helixtrans-90.6-7.4178.300000114I181 K195 G196 A197I181-A199 HydrophobicContact CD1-CB 3.36Å; K195-A199 PolarHBondContact O-N 3.48Å; G196-A199 PolarHBondContact O-N 3.27Å; G196-A199 VanDerWaalsContact O-N 3.15Å; A197-A199 PolarHBondContact O-N 3.33Å
200S97.9Very high97.6Very high9 Ų930 Ų306%0.06316%0.159CC..  trans-76137.4-174.268.50000113.7G196 A197 I205 R300G196-S200 PolarHBondContact O-N 3.47Å; A197-S200 WeakPolarHBondContact O-CB 3.44Å; A197-S200 PolarHBondContact O-N 3.22Å; A197-S200 PolarHBondContact O-OG 3.1Å; S200-I205 WeakPolarHBondContact OG-CG1 3.32Å; S200-R300 PolarHBondContact O-NH1 2.82Å
201K98.1Very high97.8Very high122 Ų12231 Ų3153%0.5316%0.164SC..  trans-105.3-23.4-178-59.1173.6-162.5128.60114.3S119 E149 E150 R300S119-K201 PolarHBondContact OG-N 3.01Å; S119-K201 VanDerWaalsContact OG-N 3.13Å; E149-K201 HydrophobicContact CG-CB 4.31Å; E150-K201 VanDerWaalsContact OE1-CB 3.26Å; E150-K201 WeakPolarHBondContact OE1-CB 3.45Å; E150-K201 WeakPolarHBondContact OE1-CG 3.4Å; E150-K201 PolarHBondContact OE1-N 3.14Å; E150-K201 IonicContact OE2-NZ 2.8Å; E150-K201 PolarHBondContact OE2-NZ 3.49Å; K201-R300 PolarHBondContact O-NH1 2.66Å
202G98.1Very high98Very high0 Ų027.6 Ų27.60%015%0.151CC..SBendtrans-62.1155.7177.200000112.3S119 V204 R300S119-G202 PolarHBondContact OG-N 3.2Å; G202-V204 PolarHBondContact O-N 2.91Å; G202-R300 PolarHBondContact O-NH1 2.89Å
203Q98.7Very high98.1Very high107 Ų10727.8 Ų27.850%0.515%0.152SC..SBendtrans-66.3-31.3176.1-62.7177.1-91.200111.6P116 T117 R300P116-Q203 HydrophobicContact CB-CB 3.91Å; T117-Q203 PolarHBondContact O-N 2.71Å; Q203-R300 WeakPolarHBondContact O-CB 3.44Å; Q203-R300 PolarHBondContact O-N 3.13Å
204V98.9Very high98.2Very high0 Ų027.7 Ų27.70%015%0.152CC..EExtended strand (participates in β ladder)trans-113.9138.6176173.20000110.2P116 T117 T118 S119 G202 L223 I226 I298P116-V204 HydrophobicContact CB-CG2 4.03Å; P116-V204 HydrophobicContact CG-CG2 3.84Å; T117-V204 PolarHBondContact O-N 2.81Å; T118-V204 CarbonylContact C-O 3.6Å; T118-V204 WeakPolarHBondContact CA-O 3.27Å; T118-V204 WeakPolarHBondContact CB-O 3.43Å; T118-V204 PolarHBondContact OG1-O 2.87Å; S119-V204 PolarHBondContact N-O 3.04Å; G202-V204 PolarHBondContact O-N 2.91Å; V204-L223 HydrophobicContact CB-CD2 3.88Å; V204-L223 HydrophobicContact CG1-CD2 3.75Å; V204-L223 HydrophobicContact CG2-CD2 3.98Å; V204-I226 HydrophobicContact CB-CD1 4.49Å; V204-I226 HydrophobicContact CG1-CD1 3.56Å; V204-I226 HydrophobicContact CG2-CB 4.46Å; V204-I226 HydrophobicContact CG2-CD1 4.06Å; V204-I226 HydrophobicContact CG2-CG2 3.91Å; V204-I298 CarbonylContact C-O 3.51Å; V204-I298 WeakPolarHBondContact CA-O 3.42Å; V204-I298 WeakPolarHBondContact CG1-O 3.44Å
205I98.9Very high98.2Very high1 Ų126.1 Ų26.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-95.8126166.8-53.1168.8000108.3V121 A197 S200 F207 S297 I298 R300 F303V121-I205 HydrophobicContact CB-CG2 4.38Å; V121-I205 HydrophobicContact CG2-CG2 3.72Å; A197-I205 HydrophobicContact CB-CD1 3.75Å; S200-I205 WeakPolarHBondContact OG-CG1 3.32Å; I205-F207 HydrophobicContact CB-CE2 4.15Å; I205-F207 HydrophobicContact CB-CZ 4.47Å; I205-F207 HydrophobicContact CG2-CD1 4.41Å; I205-F207 HydrophobicContact CG2-CD2 3.98Å; I205-F207 HydrophobicContact CG2-CE1 3.99Å; I205-F207 HydrophobicContact CG2-CE2 3.52Å; I205-F207 HydrophobicContact CG2-CG 4.43Å; I205-F207 HydrophobicContact CG2-CZ 3.54Å; I205-S297 CarbonylContact O-C 3.59Å; I205-S297 VanDerWaalsContact O-CA 3.27Å; I205-S297 WeakPolarHBondContact O-CA 3.29Å; I205-I298 HydrophobicContact CB-CG2 4.33Å; I205-I298 PolarHBondContact N-O 2.85Å; I205-I298 PolarHBondContact O-N 2.88Å; I205-R300 HydrophobicContact CD1-CB 4.2Å; I205-R300 HydrophobicContact CD1-CG 3.9Å; I205-R300 HydrophobicContact CG1-CB 4.03Å; I205-R300 HydrophobicContact CG1-CG 4.11Å; I205-F303 HydrophobicContact CD1-CD1 3.96Å
206T98.9Very high98.2Very high1 Ų124.5 Ų24.51%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-112.1112.3171.9-610000109.3T118 S119 V120 V121 L208 W218 S297T118-T206 PolarHBondContact OG1-N 3Å; T118-T206 PolarHBondContact OG1-OG1 3.37Å; S119-T206 PolarHBondContact O-N 3.05Å; V120-T206 CarbonylContact C-O 3.58Å; V120-T206 VanDerWaalsContact CA-O 3.27Å; V120-T206 WeakPolarHBondContact CA-O 3.24Å; V121-T206 PolarHBondContact N-O 2.94Å; T206-L208 HydrophobicContact CG2-CG 4.48Å; T206-W218 HydrophobicContact CG2-CH2 3.76Å; T206-W218 HydrophobicContact CG2-CZ3 3.91Å; T206-S297 WeakPolarHBondContact CB-OG 3.36Å; T206-S297 VanDerWaalsContact CG2-OG 3.29Å; T206-S297 WeakPolarHBondContact CG2-OG 3.42Å; T206-S297 PolarHBondContact OG1-OG 3.29Å
207F98.8Very high98.1Very high1 Ų124.9 Ų24.90%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-87133.9175.9-64.5-82.3000110.2V121 R193 A197 I205 L295 F296 I298 F303V121-F207 HydrophobicContact CB-CD1 3.83Å; V121-F207 HydrophobicContact CB-CE1 4Å; V121-F207 HydrophobicContact CG1-CD1 3.95Å; V121-F207 HydrophobicContact CG1-CE1 3.94Å; V121-F207 HydrophobicContact CG2-CE1 4.43Å; V121-F207 WeakPolarHBondContact O-CA 3.35Å; R193-F207 HydrophobicContact CB-CD1 4.25Å; R193-F207 HydrophobicContact CB-CE1 3.79Å; R193-F207 HydrophobicContact CG-CD1 3.88Å; R193-F207 HydrophobicContact CG-CE1 3.95Å; A197-F207 HydrophobicContact CB-CZ 4.08Å; I205-F207 HydrophobicContact CB-CE2 4.15Å; I205-F207 HydrophobicContact CB-CZ 4.47Å; I205-F207 HydrophobicContact CG2-CD1 4.41Å; I205-F207 HydrophobicContact CG2-CD2 3.98Å; I205-F207 HydrophobicContact CG2-CE1 3.99Å; I205-F207 HydrophobicContact CG2-CE2 3.52Å; I205-F207 HydrophobicContact CG2-CG 4.43Å; I205-F207 HydrophobicContact CG2-CZ 3.54Å; F207-L295 WeakPolarHBondContact O-CA 3.47Å; F207-F296 HydrophobicContact CB-CD1 4.16Å; F207-F296 HydrophobicContact CB-CE1 3.96Å; F207-F296 HydrophobicContact CD2-CD1 4.16Å; F207-F296 HydrophobicContact CD2-CD2 4.17Å; F207-F296 AromaticContact CD2-CE1 3.53Å; F207-F296 HydrophobicContact CD2-CE1 3.53Å; F207-F296 AromaticContact CD2-CE2 3.55Å; F207-F296 HydrophobicContact CD2-CE2 3.55Å; F207-F296 HydrophobicContact CD2-CG 4.45Å; F207-F296 AromaticContact CD2-CZ 3.19Å; F207-F296 HydrophobicContact CD2-CZ 3.19Å; F207-F296 HydrophobicContact CE2-CE1 4.26Å; F207-F296 AromaticContact CE2-CE2 3.79Å; F207-F296 HydrophobicContact CE2-CE2 3.79Å; F207-F296 AromaticContact CE2-CZ 3.5Å; F207-F296 HydrophobicContact CE2-CZ 3.5Å; F207-F296 VanDerWaalsContact CE2-CZ 3.5Å; F207-F296 AromaticContact CG-CE1 3.94Å; F207-F296 HydrophobicContact CG-CE1 3.94Å; F207-F296 HydrophobicContact CG-CZ 4.03Å; F207-F296 PolarHBondContact N-O 3.38Å; F207-F296 PolarHBondContact O-N 3.47Å; F207-I298 HydrophobicContact CE2-CG2 4.27Å; F207-F303 HydrophobicContact CZ-CE1 4.36Å; F207-F303 HydrophobicContact CZ-CZ 4.43Å
208L98.7Very high98.2Very high3 Ų324.6 Ų24.62%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-133.4149.3170.4-66.4178.8000109.6V120 V121 I122 V139 T206 W218 L295 V342V120-L208 HydrophobicContact CG1-CD1 3.8Å; V120-L208 HydrophobicContact CG1-CG 4.17Å; V121-L208 PolarHBondContact O-N 3.31Å; I122-L208 WeakPolarHBondContact CA-O 3.27Å; I122-L208 HydrophobicContact CG1-CB 4.03Å; V139-L208 HydrophobicContact CG2-CD1 3.5Å; V139-L208 VanDerWaalsContact CG2-CD1 3.5Å; T206-L208 HydrophobicContact CG2-CG 4.48Å; L208-W218 HydrophobicContact CD1-CH2 3.91Å; L208-W218 HydrophobicContact CD1-CZ3 4.4Å; L208-W218 HydrophobicContact CD2-CH2 4.45Å; L208-W218 HydrophobicContact CD2-CZ3 4.18Å; L208-W218 HydrophobicContact CG-CH2 4.47Å; L208-L295 HydrophobicContact CD2-CB 4.22Å; L208-L295 HydrophobicContact CD2-CD2 3.78Å; L208-L295 HydrophobicContact CD2-CG 3.82Å; L208-V342 HydrophobicContact CD2-CG1 4.24Å
209D97.8Very high98.2Very high25 Ų2520.6 Ų20.613%0.13411%0.112CC..EExtended strand (participates in β ladder)trans-79.3159.9168.8-66.3-24.7000110.3R193 H211 G294 H344R193-D209 IonicContact NH2-OD1 3.27Å; R193-D209 PolarHBondContact NH2-OD1 3.2Å; D209-H211 PolarHBondContact O-N 3.44Å; D209-H211 VanDerWaalsContact O-N 3.07Å; D209-G294 WeakPolarHBondContact OD2-CA 3.49Å; D209-H344 IonicContact OD2-CD2 2.92Å; D209-H344 IonicContact OD2-NE2 2.86Å
210A98Very high98.3Very high2 Ų220.5 Ų20.52%0.01710%0.104CC..THydrogen-bonded Turntrans-76.58.9-171.600000115.4I122 F124 E127 T131 L132 T135I122-A210 HydrophobicContact CG2-CB 3.8Å; F124-A210 HydrophobicContact CB-CB 3.69Å; E127-A210 HydrophobicContact CB-CB 4.34Å; E127-A210 HydrophobicContact CG-CB 3.81Å; T131-A210 CarbonylContact C-O 3.48Å; L132-A210 WeakPolarHBondContact CA-O 3.42Å; L132-A210 HydrophobicContact CD1-CB 3.96Å; L132-A210 PolarHBondContact N-O 2.93Å; T135-A210 VanDerWaalsContact OG1-C 3.25Å; T135-A210 PolarHBondContact OG1-O 3.37Å; T135-A210 VanDerWaalsContact OG1-O 3.12Å
211H98Very high98.3Very high23 Ų2320.3 Ų20.311%0.10610%0.102CC..THydrogen-bonded Turntrans-140.953.9-177.439.7-89.4000109.3E127 T135 D209 H344 V345 R347E127-H211 IonicContact OE2-CE1 3.09Å; E127-H211 PolarHBondContact OE2-CE1 2.81Å; E127-H211 IonicContact OE2-CG 3.86Å; E127-H211 IonicContact OE2-ND1 3.4Å; E127-H211 PolarHBondContact OE2-ND1 2.88Å; T135-H211 PolarHBondContact OG1-N 3.42Å; D209-H211 PolarHBondContact O-N 3.44Å; D209-H211 VanDerWaalsContact O-N 3.07Å; H211-H344 AromaticContact CD2-CD2 3.89Å; H211-H344 AromaticContact CD2-NE2 3.49Å; H211-H344 PolarHBondContact CD2-NE2 2.99Å; H211-H344 AromaticContact NE2-NE2 3.34Å; H211-H344 PolarHBondContact NE2-NE2 3.1Å; H211-V345 HydrophobicContact CB-CB 4.21Å; H211-V345 HydrophobicContact CB-CG2 4.16Å; H211-V345 PolarHBondContact O-N 2.89Å; H211-V345 VanDerWaalsContact O-N 3.11Å; H211-R347 PolarHBondContact CE1-NH2 3.01Å; H211-R347 PolarHBondContact ND1-NH2 3.06Å
212C98.6Very high98.3Very high1 Ų114.5 Ų14.51%0.0078%0.077CC..EExtended strand (participates in β ladder)trans-119.7156-179.6-71.60000111.6T135 V342 G343T135-C212 WeakPolarHBondContact CA-O 3.33Å; T135-C212 WeakPolarHBondContact CB-O 3.18Å; T135-C212 HydrophobicContact CG2-CB 4.02Å; T135-C212 PolarHBondContact OG1-N 2.68Å; T135-C212 PolarHBondContact OG1-O 2.75Å; C212-V342 HydrophobicContact CB-CG1 3.96Å; C212-G343 CarbonylContact C-O 3.52Å; C212-G343 WeakPolarHBondContact CA-O 3.24Å; C212-G343 WeakPolarHBondContact CB-O 3.36Å
213E98.8Very high98.4Very high5 Ų514.5 Ų14.52%0.0238%0.077CC..EExtended strand (participates in β ladder)trans-136114.4169.3-58.2-177.7-13300110.1R96 L98 R134 I241 G343R96-E213 IonicContact CZ-OE1 3.95Å; R96-E213 VanDerWaalsContact CZ-OE1 3.28Å; R96-E213 IonicContact CZ-OE2 2.98Å; R96-E213 VanDerWaalsContact NE-CD 3.35Å; R96-E213 IonicContact NE-OE1 2.67Å; R96-E213 PolarHBondContact NE-OE1 3.16Å; R96-E213 VanDerWaalsContact NE-OE1 3.16Å; R96-E213 IonicContact NE-OE2 3.92Å; R96-E213 PolarHBondContact NE-OE2 3.21Å; R96-E213 IonicContact NH2-OE1 3.71Å; R96-E213 PolarHBondContact NH2-OE1 3.5Å; R96-E213 IonicContact NH2-OE2 3.96Å; L98-E213 HydrophobicContact CD1-CB 3.79Å; R134-E213 WeakPolarHBondContact CD-OE1 3.44Å; R134-E213 WeakPolarHBondContact CD-OE2 3.43Å; R134-E213 HydrophobicContact CG-CG 4.06Å; E213-I241 HydrophobicContact CB-CD1 3.96Å; E213-I241 HydrophobicContact CG-CD1 3.79Å; E213-G343 PolarHBondContact N-O 3.27Å; E213-G343 PolarHBondContact O-N 3.43Å
214C98.6Very high98.3Very high0 Ų010.6 Ų10.60%06%0.063CC..EExtended strand (participates in β ladder)trans-70.5146.7175.8-57.90000111.2S138 R142 W218S138-C214 PolarHBondContact OG-N 2.88Å; S138-C214 PolarHBondContact OG-O 2.98Å; S138-C214 VanDerWaalsContact OG-O 3.09Å; R142-C214 WeakPolarHBondContact CD-O 3.2Å; R142-C214 PolarHBondContact NE-O 3.14Å; R142-C214 PolarHBondContact NH1-O 3.06Å; C214-W218 HydrophobicContact CB-CD2 3.79Å; C214-W218 HydrophobicContact CB-CG 3.75Å; C214-W218 HydrophobicContact CB-CZ2 4.42Å; C214-W218 VanDerWaalsContact SG-CE2 3.53Å
215T97.9Very high98.3Very high1 Ų114.1 Ų14.11%0.0068%0.076CC..PPolyproline II helixtrans-96.1173.2173610000111.6L98 V101 W218 Y248 H341L98-T215 HydrophobicContact CD1-CG2 4.38Å; V101-T215 HydrophobicContact CG2-CG2 4.29Å; T215-W218 WeakPolarHBondContact O-CB 3.44Å; T215-W218 VanDerWaalsContact O-CD1 3.25Å; T215-Y248 HydrophobicContact CG2-CE1 4.36Å; T215-Y248 HydrophobicContact CG2-CE2 4.32Å; T215-Y248 WeakPolarHBondContact CG2-OH 3.28Å; T215-H341 HydrophobicContact CG2-CB 3.97Å; T215-H341 PolarHBondContact N-O 2.92Å; T215-H341 WeakPolarHBondContact OG1-CB 3.3Å; T215-H341 PolarHBondContact OG1-O 3.36Å
216V96.9Very high98.3Very high80 Ų8014.2 Ų14.249%0.4858%0.077SC..THydrogen-bonded Turntrans-65.3133.1175.3175.20000109.9R102 W218R102-V216 WeakPolarHBondContact CD-O 3.2Å; R102-V216 PolarHBondContact NE-O 3.31Å; V216-W218 VanDerWaalsContact C-N 3.32Å
217G96.6Very high98.3Very high8 Ų818 Ų188%0.0829%0.093CC..THydrogen-bonded Turntrans72.522.8178.100000114.2E220 P221G217-E220 VanDerWaalsContact C-OE2 3.31Å; G217-E220 VanDerWaalsContact CA-OE2 3.32Å; G217-E220 WeakPolarHBondContact CA-OE2 3.49Å; G217-P221 WeakPolarHBondContact O-CD 3.42Å; G217-P221 VanDerWaalsContact O-CG 3.26Å; G217-P221 WeakPolarHBondContact O-CG 3.46Å
218W98.5Very high98.2Very high1 Ų121.2 Ų21.20%0.00412%0.12CC..  trans-72.9-29.3-178.879.3-72000113.1V139 R142 S143 T206 L208 C214 T215 V216 L222 S340 V342V139-W218 HydrophobicContact CG2-CZ2 4.45Å; R142-W218 PolarHBondContact O-NE1 3.08Å; S143-W218 PolarHBondContact OG-NE1 3.4Å; T206-W218 HydrophobicContact CG2-CH2 3.76Å; T206-W218 HydrophobicContact CG2-CZ3 3.91Å; L208-W218 HydrophobicContact CD1-CH2 3.91Å; L208-W218 HydrophobicContact CD1-CZ3 4.4Å; L208-W218 HydrophobicContact CD2-CH2 4.45Å; L208-W218 HydrophobicContact CD2-CZ3 4.18Å; L208-W218 HydrophobicContact CG-CH2 4.47Å; C214-W218 HydrophobicContact CB-CD2 3.79Å; C214-W218 HydrophobicContact CB-CG 3.75Å; C214-W218 HydrophobicContact CB-CZ2 4.42Å; C214-W218 VanDerWaalsContact SG-CE2 3.53Å; T215-W218 WeakPolarHBondContact O-CB 3.44Å; T215-W218 VanDerWaalsContact O-CD1 3.25Å; V216-W218 VanDerWaalsContact C-N 3.32Å; W218-L222 HydrophobicContact CE3-CD1 3.95Å; W218-L222 HydrophobicContact CZ3-CD1 4.06Å; W218-L222 WeakPolarHBondContact O-CD1 3.42Å; W218-L222 WeakPolarHBondContact O-CG 3.44Å; W218-S340 VanDerWaalsContact O-CB 3.23Å; W218-S340 WeakPolarHBondContact O-CB 3.47Å; W218-S340 PolarHBondContact O-OG 3.47Å; W218-V342 HydrophobicContact CD2-CG2 4.19Å; W218-V342 HydrophobicContact CE3-CG2 3.48Å; W218-V342 VanDerWaalsContact CE3-CG2 3.48Å; W218-V342 HydrophobicContact CZ3-CG2 4.08Å
219L98.6Very high98.2Very high0 Ų024 Ų240%014%0.135CC..Hα-helixtrans-92.3-43.8-164.6-178.159000112.7T118 M147 P221 L222 L223T118-L219 HydrophobicContact CG2-CD1 3.96Å; T118-L219 HydrophobicContact CG2-CD2 4Å; M147-L219 HydrophobicContact CB-CD2 4.21Å; L219-P221 VanDerWaalsContact C-CD 3.43Å; L219-L222 WeakPolarHBondContact O-CB 3.46Å; L219-L222 PolarHBondContact O-N 3.37Å; L219-L222 VanDerWaalsContact O-N 3.08Å; L219-L223 HydrophobicContact CD1-CD1 3.85Å; L219-L223 HydrophobicContact CD1-CD2 4.2Å; L219-L223 HydrophobicContact CD1-CG 3.83Å; L219-L223 HydrophobicContact CD2-CD1 4.02Å; L219-L223 HydrophobicContact CG-CD1 3.61Å; L219-L223 HydrophobicContact CG-CG 4.02Å; L219-L223 WeakPolarHBondContact O-CG 3.11Å; L219-L223 PolarHBondContact O-N 2.9Å
220E98.4Very high98.2Very high41 Ų4127 Ų2719%0.19215%0.145CC..Hα-helixtrans-54.8-45.1-177.3-52.990.3141.200112.7Y111 L115 P144 M147 G217 L222 L223 A224Y111-E220 HydrophobicContact CD2-CB 3.68Å; Y111-E220 HydrophobicContact CE2-CB 4.21Å; Y111-E220 HydrophobicContact CG-CB 4Å; L115-E220 HydrophobicContact CD1-CB 4.08Å; L115-E220 WeakPolarHBondContact CD1-O 2.9Å; P144-E220 HydrophobicContact CG-CG 4Å; P144-E220 VanDerWaalsContact CG-OE1 3.31Å; P144-E220 WeakPolarHBondContact CG-OE1 3.47Å; M147-E220 HydrophobicContact CE-CG 4.03Å; M147-E220 HydrophobicContact SD-CG 4.02Å; G217-E220 VanDerWaalsContact C-OE2 3.31Å; G217-E220 VanDerWaalsContact CA-OE2 3.32Å; G217-E220 WeakPolarHBondContact CA-OE2 3.49Å; E220-L222 VanDerWaalsContact C-N 3.3Å; E220-L222 PolarHBondContact O-N 2.96Å; E220-L223 PolarHBondContact O-N 3.17Å; E220-A224 WeakPolarHBondContact O-CB 3.42Å; E220-A224 PolarHBondContact O-N 2.79Å
221P98.5Very high98.3Very high5 Ų532.4 Ų32.43%0.03216%0.164CC..Hα-helixtrans-62.5-35.9177.7-17.729.8000113Y111 G217 L219 R225 V337 C339Y111-P221 HydrophobicContact CE1-CB 4.19Å; Y111-P221 HydrophobicContact CE1-CG 4.42Å; Y111-P221 HydrophobicContact CE2-CG 4.03Å; Y111-P221 WeakPolarHBondContact OH-CG 3.37Å; G217-P221 WeakPolarHBondContact O-CD 3.42Å; G217-P221 VanDerWaalsContact O-CG 3.26Å; G217-P221 WeakPolarHBondContact O-CG 3.46Å; L219-P221 VanDerWaalsContact C-CD 3.43Å; P221-R225 PolarHBondContact O-N 2.04Å; P221-V337 HydrophobicContact CB-CG1 3.49Å; P221-V337 VanDerWaalsContact CB-CG1 3.49Å; P221-C339 HydrophobicContact CB-CB 4.14Å; P221-C339 HydrophobicContact CG-CB 4.01Å
222L98.8Very high98.3Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-68.3-51.4179.1-59.2174.4000110.2W218 L219 E220 A224 R225 I226 V234 V337 S340W218-L222 HydrophobicContact CE3-CD1 3.95Å; W218-L222 HydrophobicContact CZ3-CD1 4.06Å; W218-L222 WeakPolarHBondContact O-CD1 3.42Å; W218-L222 WeakPolarHBondContact O-CG 3.44Å; L219-L222 WeakPolarHBondContact O-CB 3.46Å; L219-L222 PolarHBondContact O-N 3.37Å; L219-L222 VanDerWaalsContact O-N 3.08Å; E220-L222 VanDerWaalsContact C-N 3.3Å; E220-L222 PolarHBondContact O-N 2.96Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 3.44Å; L222-R225 PolarHBondContact O-N 3.29Å; L222-I226 PolarHBondContact O-N 3.28Å; L222-V234 HydrophobicContact CB-CG2 3.86Å; L222-V234 HydrophobicContact CD2-CB 4.09Å; L222-V234 HydrophobicContact CD2-CG2 3.83Å; L222-V234 HydrophobicContact CG-CG2 4.44Å; L222-V337 HydrophobicContact CD2-CB 3.85Å; L222-V337 HydrophobicContact CD2-CG2 3.96Å; L222-S340 WeakPolarHBondContact CD1-OG 3.44Å; L222-S340 WeakPolarHBondContact CG-OG 3.4Å
223L98.8Very high98.3Very high0 Ų031.3 Ų31.30%016%0.159CC..Hα-helixtrans-66.9-35.8-178.1-60.8179.9000112.2L115 P116 M147 V204 L219 E220 R225 I226 K227L115-L223 HydrophobicContact CB-CB 4.16Å; L115-L223 HydrophobicContact CD1-CB 4Å; P116-L223 HydrophobicContact CG-CB 4.27Å; P116-L223 WeakPolarHBondContact O-CD1 3.45Å; M147-L223 HydrophobicContact CB-CD1 4Å; M147-L223 HydrophobicContact CG-CD1 4.38Å; M147-L223 HydrophobicContact SD-CD1 3.98Å; V204-L223 HydrophobicContact CB-CD2 3.88Å; V204-L223 HydrophobicContact CG1-CD2 3.75Å; V204-L223 HydrophobicContact CG2-CD2 3.98Å; L219-L223 HydrophobicContact CD1-CD1 3.85Å; L219-L223 HydrophobicContact CD1-CD2 4.2Å; L219-L223 HydrophobicContact CD1-CG 3.83Å; L219-L223 HydrophobicContact CD2-CD1 4.02Å; L219-L223 HydrophobicContact CG-CD1 3.61Å; L219-L223 HydrophobicContact CG-CG 4.02Å; L219-L223 WeakPolarHBondContact O-CG 3.11Å; L219-L223 PolarHBondContact O-N 2.9Å; E220-L223 PolarHBondContact O-N 3.17Å; L223-R225 VanDerWaalsContact C-N 3.29Å; L223-R225 PolarHBondContact O-N 3.18Å; L223-I226 PolarHBondContact O-N 2.93Å; L223-K227 VanDerWaalsContact O-CB 3.29Å; L223-K227 WeakPolarHBondContact O-CB 3.43Å; L223-K227 PolarHBondContact O-N 3.37Å
224A98.4Very high98.3Very high25 Ų2531 Ų3121%0.20716%0.158CC..Hα-helixtrans-61.4-38.2175.300000112.2Y111 L115 E220 L222 K227 A228Y111-A224 HydrophobicContact CD1-CB 3.59Å; Y111-A224 HydrophobicContact CE1-CB 4.15Å; L115-A224 HydrophobicContact CD1-CB 4.35Å; L115-A224 HydrophobicContact CD2-CB 4.03Å; E220-A224 WeakPolarHBondContact O-CB 3.42Å; E220-A224 PolarHBondContact O-N 2.79Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 3.44Å; A224-K227 PolarHBondContact O-N 2.91Å; A224-A228 PolarHBondContact O-N 3.19Å; A224-A228 VanDerWaalsContact O-N 3.11Å
225R98.3Very high98.3Very high73 Ų7331.4 Ų31.428%0.27516%0.16SC..Hα-helixtrans-72-41.4179.7-17252.9-104.5156.7-2.4112.1P221 L222 L223 K227 A228 D229 T232 V234 E335 V337P221-R225 PolarHBondContact O-N 2.04Å; L222-R225 PolarHBondContact O-N 3.29Å; L223-R225 VanDerWaalsContact C-N 3.29Å; L223-R225 PolarHBondContact O-N 3.18Å; R225-K227 VanDerWaalsContact C-N 3.33Å; R225-A228 PolarHBondContact O-N 3.36Å; R225-D229 VanDerWaalsContact NH2-CB 3.35Å; R225-D229 PolarHBondContact O-N 2.84Å; R225-T232 HydrophobicContact CG-CG2 3.93Å; R225-V234 HydrophobicContact CB-CG1 3.86Å; R225-V234 HydrophobicContact CG-CG1 3.54Å; R225-E335 WeakPolarHBondContact CD-OE2 3.38Å; R225-E335 VanDerWaalsContact CG-OE2 3.3Å; R225-E335 WeakPolarHBondContact CG-OE2 3.21Å; R225-E335 IonicContact NE-OE2 3.76Å; R225-V337 HydrophobicContact CB-CG2 4.45Å
226I98.8Very high98.3Very high3 Ų331.5 Ų31.52%0.01516%0.161CC..Hα-helixtrans-64.6-39.8173.4-62.5169.9000110.9V204 L222 L223 A228 D229 R230 V234 D299V204-I226 HydrophobicContact CB-CD1 4.49Å; V204-I226 HydrophobicContact CG1-CD1 3.56Å; V204-I226 HydrophobicContact CG2-CB 4.46Å; V204-I226 HydrophobicContact CG2-CD1 4.06Å; V204-I226 HydrophobicContact CG2-CG2 3.91Å; L222-I226 PolarHBondContact O-N 3.28Å; L223-I226 PolarHBondContact O-N 2.93Å; I226-A228 VanDerWaalsContact C-N 3.28Å; I226-A228 PolarHBondContact O-N 2.95Å; I226-D229 CarbonylContact O-C 3.53Å; I226-D229 PolarHBondContact O-N 2.9Å; I226-D229 VanDerWaalsContact O-O 3.1Å; I226-R230 WeakPolarHBondContact O-CA 3.48Å; I226-R230 PolarHBondContact O-N 3.03Å; I226-R230 VanDerWaalsContact O-N 3.12Å; I226-V234 HydrophobicContact CD1-CG2 3.83Å; I226-V234 HydrophobicContact CG1-CG2 3.86Å; I226-D299 HydrophobicContact CG2-CB 3.87Å
227K98.3Very high98.4Very high81 Ų8128.1 Ų28.135%0.35214%0.14SC..Hα-helixtrans-59.8-39.9176.3-179.8172.7178.8165.90112.4N114 L115 P116 L223 A224 R225 D229N114-K227 PolarHBondContact ND2-NZ 2.9Å; N114-K227 PolarHBondContact O-NZ 2.91Å; N114-K227 PolarHBondContact OD1-NZ 3.46Å; L115-K227 HydrophobicContact CD2-CD 3.87Å; P116-K227 HydrophobicContact CG-CB 4.44Å; L223-K227 VanDerWaalsContact O-CB 3.29Å; L223-K227 WeakPolarHBondContact O-CB 3.43Å; L223-K227 PolarHBondContact O-N 3.37Å; A224-K227 PolarHBondContact O-N 2.91Å; R225-K227 VanDerWaalsContact C-N 3.33Å; K227-D229 VanDerWaalsContact C-N 3.34Å
228A97.9Very high98.5Very high68 Ų6828.6 Ų28.656%0.56214%0.141SC*.Hα-helixtrans-69.7-31.8179.900000112.7A224 R225 I226A224-A228 PolarHBondContact O-N 3.19Å; A224-A228 VanDerWaalsContact O-N 3.11Å; R225-A228 PolarHBondContact O-N 3.36Å; I226-A228 VanDerWaalsContact C-N 3.28Å; I226-A228 PolarHBondContact O-N 2.95Å
229D98.3Very high98.4Very high63 Ų6328.6 Ų28.634%0.33714%0.141SC..  trans-153.7112.5169177.71.4000110.1R225 I226 K227 R231 T232R225-D229 VanDerWaalsContact NH2-CB 3.35Å; R225-D229 PolarHBondContact O-N 2.84Å; I226-D229 CarbonylContact O-C 3.53Å; I226-D229 PolarHBondContact O-N 2.9Å; I226-D229 VanDerWaalsContact O-O 3.1Å; K227-D229 VanDerWaalsContact C-N 3.34Å; D229-R231 PolarHBondContact O-N 3.07Å; D229-R231 WeakPolarHBondContact OD1-CB 3.15Å; D229-R231 PolarHBondContact OD1-N 3.25Å; D229-T232 VanDerWaalsContact O-CB 3.31Å; D229-T232 WeakPolarHBondContact O-CB 3.47Å; D229-T232 PolarHBondContact O-N 2.85Å; D229-T232 PolarHBondContact O-OG1 3.37Å
230R98.1Very high98.4Very high88 Ų8831.1 Ų31.133%0.33216%0.156SC..THydrogen-bonded Turntrans-59.4-20.7-177.475.2175.1-170.583-6113.7I226 T232 D299 E305I226-R230 WeakPolarHBondContact O-CA 3.48Å; I226-R230 PolarHBondContact O-N 3.03Å; I226-R230 VanDerWaalsContact O-N 3.12Å; R230-T232 VanDerWaalsContact C-N 3.28Å; R230-D299 HydrophobicContact CB-CB 4.2Å; R230-D299 WeakPolarHBondContact O-CB 3.46Å; R230-E305 IonicContact CZ-OE1 3.84Å; R230-E305 IonicContact CZ-OE2 3.94Å; R230-E305 VanDerWaalsContact CZ-OE2 3.23Å; R230-E305 IonicContact NH1-OE1 2.79Å; R230-E305 PolarHBondContact NH1-OE1 3.35Å; R230-E305 IonicContact NH1-OE2 3.08Å; R230-E305 PolarHBondContact NH1-OE2 3.45Å; R230-E305 VanDerWaalsContact NH2-CD 3.33Å; R230-E305 IonicContact NH2-OE1 3.8Å; R230-E305 PolarHBondContact NH2-OE1 3.47Å; R230-E305 IonicContact NH2-OE2 3.46Å; R230-E305 PolarHBondContact NH2-OE2 3.16Å
231R98.6Very high98.4Very high114 Ų11429.2 Ų29.243%0.4315%0.147SC..THydrogen-bonded Turntrans-86.60.9178.4-59.3-173.3173.3179.5-1.3113.1D229 Y302 G332 T333D229-R231 PolarHBondContact O-N 3.07Å; D229-R231 WeakPolarHBondContact OD1-CB 3.15Å; D229-R231 PolarHBondContact OD1-N 3.25Å; R231-Y302 HydrophobicContact CB-CD2 4.41Å; R231-Y302 HydrophobicContact CB-CE1 4.28Å; R231-Y302 HydrophobicContact CB-CE2 3.98Å; R231-Y302 HydrophobicContact CG-CD2 3.94Å; R231-Y302 HydrophobicContact CG-CE2 3.73Å; R231-Y302 WeakPolarHBondContact O-CE1 3.19Å; R231-G332 VanDerWaalsContact O-CA 3.31Å; R231-G332 WeakPolarHBondContact O-CA 3.41Å; R231-T333 PolarHBondContact O-N 3.2Å; R231-T333 VanDerWaalsContact O-N 3.11Å
232T98.8Very high98.4Very high1 Ų129.9 Ų29.91%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-86.8122173.2-51.10000109.8R225 D229 R230 V234 T333 E335R225-T232 HydrophobicContact CG-CG2 3.93Å; D229-T232 VanDerWaalsContact O-CB 3.31Å; D229-T232 WeakPolarHBondContact O-CB 3.47Å; D229-T232 PolarHBondContact O-N 2.85Å; D229-T232 PolarHBondContact O-OG1 3.37Å; R230-T232 VanDerWaalsContact C-N 3.28Å; T232-V234 HydrophobicContact CG2-CG1 3.85Å; T232-T333 WeakPolarHBondContact CA-O 3.13Å; T232-E335 HydrophobicContact CG2-CG 3.89Å
233V98.9Very high98.2Very high0 Ų030.7 Ų30.70%016%0.156CC..EExtended strand (participates in β ladder)trans-96.9133.9170-174.80000107.8M291 F296 I298 Y302 I327 T333 L334 E335V233-M291 HydrophobicContact CG1-CE 4.15Å; V233-F296 HydrophobicContact CG1-CD2 3.77Å; V233-F296 HydrophobicContact CG1-CE2 4.49Å; V233-I298 HydrophobicContact CG1-CB 4.28Å; V233-I298 HydrophobicContact CG1-CD1 4.4Å; V233-I298 HydrophobicContact CG2-CB 4.45Å; V233-I298 HydrophobicContact CG2-CD1 3.53Å; V233-I298 HydrophobicContact CG2-CG1 3.84Å; V233-Y302 HydrophobicContact CG2-CD1 4.43Å; V233-Y302 HydrophobicContact CG2-CE1 4.01Å; V233-I327 HydrophobicContact CB-CD1 3.9Å; V233-I327 HydrophobicContact CG1-CD1 4.02Å; V233-I327 HydrophobicContact CG2-CD1 3.55Å; V233-I327 HydrophobicContact CG2-CG1 3.89Å; V233-I327 HydrophobicContact CG2-CG2 4.1Å; V233-T333 PolarHBondContact N-O 3.42Å; V233-L334 HydrophobicContact CB-CD1 3.9Å; V233-L334 HydrophobicContact CG1-CD1 3.88Å; V233-L334 WeakPolarHBondContact O-CA 3.35Å; V233-E335 PolarHBondContact O-N 2.74Å
234V98.8Very high98.1Very high0 Ų034.4 Ų34.40%018%0.176CC..EExtended strand (participates in β ladder)trans-126.4139-172-65.50000112.3L222 R225 I226 T232 F296 S297 E335 V337L222-V234 HydrophobicContact CB-CG2 3.86Å; L222-V234 HydrophobicContact CD2-CB 4.09Å; L222-V234 HydrophobicContact CD2-CG2 3.83Å; L222-V234 HydrophobicContact CG-CG2 4.44Å; R225-V234 HydrophobicContact CB-CG1 3.86Å; R225-V234 HydrophobicContact CG-CG1 3.54Å; I226-V234 HydrophobicContact CD1-CG2 3.83Å; I226-V234 HydrophobicContact CG1-CG2 3.86Å; T232-V234 HydrophobicContact CG2-CG1 3.85Å; V234-F296 CarbonylContact O-C 3.48Å; V234-F296 VanDerWaalsContact O-CA 3.24Å; V234-F296 WeakPolarHBondContact O-CA 3.32Å; V234-F296 WeakPolarHBondContact O-CB 3.35Å; V234-S297 PolarHBondContact N-O 3.49Å; V234-S297 PolarHBondContact O-N 2.75Å; V234-E335 CarbonylContact C-O 3.55Å; V234-E335 WeakPolarHBondContact CA-O 3.31Å; V234-E335 HydrophobicContact CG1-CB 4.47Å; V234-V337 HydrophobicContact CB-CG2 3.77Å; V234-V337 HydrophobicContact CG1-CG2 3.77Å
235C98.7Very high98Very high7 Ų734.6 Ų34.65%0.04718%0.175CC..EExtended strand (participates in β ladder)trans-113.2144.9172.9-64.60000109.6L295 E335 I336 V337C235-L295 PolarHBondContact SG-O 2.85Å; C235-E335 PolarHBondContact N-O 2.96Å; C235-I336 HydrophobicContact CB-CG1 4.42Å; C235-I336 CarbonylContact O-C 3.57Å; C235-I336 WeakPolarHBondContact O-CA 3.33Å; C235-V337 PolarHBondContact O-N 3Å
236P98.6Very high98Very high4 Ų431.1 Ų31.13%0.02616%0.162CC..EExtended strand (participates in β ladder)trans-70.4164.7163.433.5-35.4000110.3I238 L295 S340 V342P236-I238 PolarHBondContact O-N 3Å; P236-L295 HydrophobicContact CG-CB 3.98Å; P236-L295 HydrophobicContact CG-CD2 4.22Å; P236-S340 WeakPolarHBondContact CA-O 3.47Å; P236-S340 WeakPolarHBondContact CB-OG 3.31Å; P236-V342 HydrophobicContact CB-CB 4.32Å; P236-V342 HydrophobicContact CB-CG2 3.81Å; P236-V342 HydrophobicContact CG-CB 4.11Å; P236-V342 HydrophobicContact CG-CG2 3.81Å
237I98.2Very high97.9Very high8 Ų834.5 Ų34.54%0.04118%0.177CC..EExtended strand (participates in β ladder)trans-63.5127.6155-65.3178.1000107.3D239 D253 I336 T338 S340 H341 V342I237-D239 WeakPolarHBondContact CG2-OD1 3.49Å; I237-D253 HydrophobicContact CD1-CB 3.67Å; I237-I336 HydrophobicContact CG1-CG2 3.82Å; I237-T338 HydrophobicContact CD1-CG2 4.31Å; I237-S340 PolarHBondContact N-O 3.2Å; I237-H341 WeakPolarHBondContact O-CA 3.37Å; I237-V342 PolarHBondContact O-N 3.36Å
238I98.1Very high98Very high19 Ų1931.4 Ų31.410%0.09716%0.163CC..EExtended strand (participates in β ladder)trans-91.9107.6177.8-54.9175.6000107.7P236 W267 A292 L295 V342 H344 F346P236-I238 PolarHBondContact O-N 3Å; I238-W267 HydrophobicContact CD1-CZ2 4.37Å; I238-A292 HydrophobicContact CD1-CB 3.83Å; I238-L295 HydrophobicContact CD1-CD1 4.32Å; I238-V342 WeakPolarHBondContact CA-O 3.35Å; I238-H344 HydrophobicContact CG2-CB 3.61Å; I238-F346 HydrophobicContact CG2-CE2 3.96Å; I238-F346 HydrophobicContact CG2-CZ 3.66Å
239D97.9Very high97.9Very high0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-82.7157.3176.2-63.7-21.6000110.1V101 I237 Y248 M249 G251 H341 V342 G343 H344V101-D239 WeakPolarHBondContact CG2-OD2 3.11Å; I237-D239 WeakPolarHBondContact CG2-OD1 3.49Å; D239-Y248 HydrophobicContact CB-CE1 3.79Å; D239-Y248 HydrophobicContact CB-CE2 4.32Å; D239-Y248 VanDerWaalsContact CB-OH 3.31Å; D239-Y248 WeakPolarHBondContact CB-OH 3.33Å; D239-Y248 VanDerWaalsContact CG-OH 3.28Å; D239-Y248 VanDerWaalsContact OD2-CE1 3.32Å; D239-Y248 WeakPolarHBondContact OD2-CE1 3.27Å; D239-Y248 VanDerWaalsContact OD2-CZ 3.23Å; D239-Y248 PolarHBondContact OD2-OH 2.61Å; D239-M249 WeakPolarHBondContact CB-O 3.12Å; D239-G251 WeakPolarHBondContact OD1-CA 3.36Å; D239-G251 PolarHBondContact OD1-N 3.5Å; D239-H341 VanDerWaalsContact CG-ND1 3.34Å; D239-H341 IonicContact OD1-CE1 3.57Å; D239-H341 IonicContact OD1-ND1 2.69Å; D239-H341 PolarHBondContact OD1-ND1 3.15Å; D239-H341 WeakPolarHBondContact OD2-CB 3.37Å; D239-H341 IonicContact OD2-CG 3.68Å; D239-H341 IonicContact OD2-ND1 3.16Å; D239-H341 PolarHBondContact OD2-ND1 2.93Å; D239-V342 PolarHBondContact N-O 3.35Å; D239-G343 CarbonylContact O-C 3.52Å; D239-G343 WeakPolarHBondContact O-CA 3.42Å; D239-H344 PolarHBondContact O-N 3Å
240V97.6Very high97.8Very high54 Ų5431.5 Ų31.533%0.32716%0.162SC..EExtended strand (participates in β ladder)trans-95.7122.5-177.3-174.30000109.1M249 F346V240-M249 HydrophobicContact CB-CB 4.31Å; V240-M249 HydrophobicContact CB-CE 4.11Å; V240-M249 HydrophobicContact CG1-CE 3.73Å; V240-M249 PolarHBondContact N-O 2.79Å; V240-M249 PolarHBondContact O-N 3.37Å; V240-F346 HydrophobicContact CB-CD2 4.13Å; V240-F346 HydrophobicContact CB-CE2 4.35Å; V240-F346 HydrophobicContact CG1-CD2 3.79Å; V240-F346 HydrophobicContact CG1-CE2 4.49Å; V240-F346 HydrophobicContact CG2-CD2 3.99Å; V240-F346 HydrophobicContact CG2-CE2 3.91Å
241I98.4Very high97.5Very high1 Ų128.4 Ų28.41%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-97.1120.5161.4-58.8169.2000106.9E213 D243 F246 E247 Y248 H344 V345E213-I241 HydrophobicContact CB-CD1 3.96Å; E213-I241 HydrophobicContact CG-CD1 3.79Å; I241-D243 PolarHBondContact O-N 3.2Å; I241-F246 HydrophobicContact CG2-CB 4.4Å; I241-F246 HydrophobicContact CG2-CD1 3.85Å; I241-F246 HydrophobicContact CG2-CE1 4.4Å; I241-F246 HydrophobicContact CG2-CG 4.27Å; I241-E247 WeakPolarHBondContact CA-O 3.49Å; I241-Y248 HydrophobicContact CG1-CD2 4.02Å; I241-Y248 HydrophobicContact CG1-CE2 4.46Å; I241-H344 PolarHBondContact N-O 2.75Å; I241-V345 HydrophobicContact CB-CG2 3.89Å; I241-V345 HydrophobicContact CD1-CG2 4.35Å; I241-V345 HydrophobicContact CG2-CG2 3.79Å; I241-V345 WeakPolarHBondContact O-CA 3.5Å
242S97.5Very high97.2Very high19 Ų1925.7 Ų25.713%0.13316%0.156CC..PPolyproline II helixtrans-56.9128.8-179.61760000111.1D244 T245 F246 E247S242-D244 PolarHBondContact O-N 3.46Å; S242-D244 PolarHBondContact OG-N 2.67Å; S242-T245 VanDerWaalsContact CB-OG1 3.32Å; S242-T245 WeakPolarHBondContact CB-OG1 3.49Å; S242-T245 PolarHBondContact OG-N 2.94Å; S242-T245 VanDerWaalsContact OG-N 3.12Å; S242-T245 PolarHBondContact OG-OG1 3.46Å; S242-T245 VanDerWaalsContact OG-OG1 3.11Å; S242-F246 VanDerWaalsContact O-CA 3.31Å; S242-F246 WeakPolarHBondContact O-CA 3.17Å; S242-F246 PolarHBondContact O-N 3.2Å; S242-E247 PolarHBondContact N-O 3.2Å
243D96.4Very high96.8Very high17 Ų1726.4 Ų26.49%0.09116%0.16CC..THydrogen-bonded Turntrans-69-16173.764.9-28.2000112.6F79 F84 N85 I241 V345 F346F79-D243 WeakPolarHBondContact CE2-O 3.35Å; F84-D243 CarbonylContact C-O 3.59Å; F84-D243 WeakPolarHBondContact CA-O 3.2Å; F84-D243 HydrophobicContact CB-CB 3.97Å; N85-D243 WeakPolarHBondContact CB-O 3.27Å; N85-D243 PolarHBondContact N-O 2.83Å; I241-D243 PolarHBondContact O-N 3.2Å; D243-V345 HydrophobicContact CB-CG1 4.35Å; D243-F346 WeakPolarHBondContact CB-O 3.45Å
244D95.3Very high96.5Very high78 Ų7829.4 Ų29.442%0.41717%0.174SC..THydrogen-bonded Turntrans-97.7-48.9-179.8-171.623.8000112.5N85 S242N85-D244 WeakPolarHBondContact CB-O 3.23Å; N85-D244 PolarHBondContact ND2-O 3.31Å; S242-D244 PolarHBondContact O-N 3.46Å; S242-D244 PolarHBondContact OG-N 2.67Å
245T96.8Very high96.3Very high28 Ų2831.4 Ų31.417%0.17219%0.187CC..THydrogen-bonded Turntrans-112-7.9-170.559.50000114.2P64 V65 S242 E247P64-T245 HydrophobicContact CB-CG2 4.32Å; V65-T245 PolarHBondContact N-O 2.94Å; S242-T245 VanDerWaalsContact CB-OG1 3.32Å; S242-T245 WeakPolarHBondContact CB-OG1 3.49Å; S242-T245 PolarHBondContact OG-N 2.94Å; S242-T245 VanDerWaalsContact OG-N 3.12Å; S242-T245 PolarHBondContact OG-OG1 3.46Å; S242-T245 VanDerWaalsContact OG-OG1 3.11Å; T245-E247 PolarHBondContact O-N 3.4Å; T245-E247 VanDerWaalsContact O-N 3.14Å; T245-E247 WeakPolarHBondContact OG1-CB 3.45Å; T245-E247 PolarHBondContact OG1-N 3.07Å
246F97.9Very high96.2Very high1 Ų131.2 Ų31.20%0.00419%0.185CC..  trans57.717.5-170.8-87-103.4000115.1F84 N85 A88 S89 I92 R96 T131 I241 S242 V345F84-F246 AromaticContact CD2-CE2 3.89Å; F84-F246 HydrophobicContact CD2-CE2 3.89Å; F84-F246 AromaticContact CD2-CZ 3.79Å; F84-F246 HydrophobicContact CD2-CZ 3.79Å; F84-F246 HydrophobicContact CE2-CZ 4.14Å; F84-F246 HydrophobicContact CG-CZ 4.43Å; N85-F246 VanDerWaalsContact O-CE2 3.31Å; N85-F246 WeakPolarHBondContact O-CE2 3.05Å; A88-F246 HydrophobicContact CB-CD2 4.16Å; S89-F246 VanDerWaalsContact CB-CZ 3.47Å; I92-F246 HydrophobicContact CD1-CB 3.36Å; I92-F246 HydrophobicContact CD1-CD1 4.21Å; I92-F246 HydrophobicContact CD1-CG 3.87Å; R96-F246 PolarHBondContact NH1-O 2.73Å; R96-F246 PolarHBondContact NH2-O 2.98Å; T131-F246 HydrophobicContact CG2-CE1 3.93Å; T131-F246 HydrophobicContact CG2-CZ 3.83Å; I241-F246 HydrophobicContact CG2-CB 4.4Å; I241-F246 HydrophobicContact CG2-CD1 3.85Å; I241-F246 HydrophobicContact CG2-CE1 4.4Å; I241-F246 HydrophobicContact CG2-CG 4.27Å; S242-F246 VanDerWaalsContact O-CA 3.31Å; S242-F246 WeakPolarHBondContact O-CA 3.17Å; S242-F246 PolarHBondContact O-N 3.2Å; F246-V345 HydrophobicContact CE1-CG2 3.98Å; F246-V345 HydrophobicContact CZ-CG2 4.25Å
247E98Very high96.1Very high74 Ų7431 Ų3135%0.34618%0.184SC..  trans-60.9138.3169.3-176.2172.4-158.700110.8G62 P64 I241 S242 T245 M249G62-E247 CarbonylContact O-C 3.55Å; G62-E247 WeakPolarHBondContact O-CA 3.2Å; P64-E247 HydrophobicContact CB-CB 4.01Å; P64-E247 HydrophobicContact CB-CG 4.46Å; I241-E247 WeakPolarHBondContact CA-O 3.49Å; S242-E247 PolarHBondContact N-O 3.2Å; T245-E247 PolarHBondContact O-N 3.4Å; T245-E247 VanDerWaalsContact O-N 3.14Å; T245-E247 WeakPolarHBondContact OG1-CB 3.45Å; T245-E247 PolarHBondContact OG1-N 3.07Å; E247-M249 HydrophobicContact CG-CG 4.3Å
248Y98.4Very high96Very high15 Ų1530.7 Ų30.76%0.05918%0.182CC..EExtended strand (participates in β ladder)trans-92.8116.6176.3-167.7-80.3000110.5G62 L98 P99 V101 T215 D239 I241 G343G62-Y248 PolarHBondContact O-N 2.98Å; L98-Y248 HydrophobicContact CD1-CD2 3.97Å; L98-Y248 HydrophobicContact CD1-CE2 3.74Å; L98-Y248 HydrophobicContact CD2-CD2 3.68Å; L98-Y248 HydrophobicContact CD2-CE2 4.32Å; L98-Y248 HydrophobicContact CD2-CG 4.1Å; L98-Y248 HydrophobicContact CG-CD2 4.4Å; P99-Y248 HydrophobicContact CG-CD1 4.15Å; V101-Y248 HydrophobicContact CG1-CD1 4.31Å; V101-Y248 HydrophobicContact CG1-CE1 3.97Å; V101-Y248 HydrophobicContact CG2-CE1 4.14Å; T215-Y248 HydrophobicContact CG2-CE1 4.36Å; T215-Y248 HydrophobicContact CG2-CE2 4.32Å; T215-Y248 WeakPolarHBondContact CG2-OH 3.28Å; D239-Y248 HydrophobicContact CB-CE1 3.79Å; D239-Y248 HydrophobicContact CB-CE2 4.32Å; D239-Y248 VanDerWaalsContact CB-OH 3.31Å; D239-Y248 WeakPolarHBondContact CB-OH 3.33Å; D239-Y248 VanDerWaalsContact CG-OH 3.28Å; D239-Y248 VanDerWaalsContact OD2-CE1 3.32Å; D239-Y248 WeakPolarHBondContact OD2-CE1 3.27Å; D239-Y248 VanDerWaalsContact OD2-CZ 3.23Å; D239-Y248 PolarHBondContact OD2-OH 2.61Å; I241-Y248 HydrophobicContact CG1-CD2 4.02Å; I241-Y248 HydrophobicContact CG1-CE2 4.46Å; Y248-G343 PolarHBondContact OH-N 3.11Å
249M97.4Very high95.8Very high72 Ų7229.8 Ų29.836%0.35518%0.177SC..EExtended strand (participates in β ladder)trans-117120.9179.2-65.3166.8-79.700109.8D239 V240 E247 G251D239-M249 WeakPolarHBondContact CB-O 3.12Å; V240-M249 HydrophobicContact CB-CB 4.31Å; V240-M249 HydrophobicContact CB-CE 4.11Å; V240-M249 HydrophobicContact CG1-CE 3.73Å; V240-M249 PolarHBondContact N-O 2.79Å; V240-M249 PolarHBondContact O-N 3.37Å; E247-M249 HydrophobicContact CG-CG 4.3Å; M249-G251 PolarHBondContact O-N 2.76Å
250A95.3Very high95.5Very high61 Ų6129.8 Ų29.850%0.50418%0.178SC..PPolyproline II helixtrans-59.5133177.500000111.4V101V101-A250 HydrophobicContact CB-CB 3.9Å; V101-A250 HydrophobicContact CG1-CB 3.92Å; V101-A250 HydrophobicContact CG2-CB 4.48Å
251G92.4Very high95Very high24 Ų2427.3 Ų27.325%0.24716%0.162CC..PPolyproline II helixtrans-73.8169.7169.900000111.5D239 M249D239-G251 WeakPolarHBondContact OD1-CA 3.36Å; D239-G251 PolarHBondContact OD1-N 3.5Å; M249-G251 PolarHBondContact O-N 2.76Å
252S91.9Very high94.6Very high57 Ų5730.8 Ų30.840%0.39918%0.177SC..PPolyproline II helixtrans-91.8135.3179.8-170.90000111.3M254 T255S252-M254 PolarHBondContact O-N 3.26Å; S252-M254 PolarHBondContact OG-N 2.83Å; S252-M254 VanDerWaalsContact OG-N 3.14Å; S252-T255 PolarHBondContact O-OG1 3.27Å
253D90.3Very high94.4Very high16 Ų1630.2 Ų30.29%0.08617%0.173CC..THydrogen-bonded Turntrans-81.20.3166.967.2-51.2000113I237 R282 T338I237-D253 HydrophobicContact CD1-CB 3.67Å; D253-R282 IonicContact OD1-CZ 3.95Å; D253-R282 IonicContact OD1-NE 3.3Å; D253-R282 IonicContact OD1-NH2 2.93Å; D253-R282 PolarHBondContact OD1-NH2 3.36Å; D253-R282 IonicContact OD2-CZ 2.79Å; D253-R282 IonicContact OD2-NE 3.01Å; D253-R282 PolarHBondContact OD2-NE 3.25Å; D253-R282 IonicContact OD2-NH2 3.28Å; D253-R282 PolarHBondContact OD2-NH2 3.27Å; D253-T338 HydrophobicContact CB-CG2 4.09Å
254M93.3Very high94.2Very high62 Ų6232.8 Ų32.831%0.30519%0.186SC..THydrogen-bonded Turntrans-106.315.1179.3-64.3-65.1-61.400112.3S252 P269 V270 M275S252-M254 PolarHBondContact O-N 3.26Å; S252-M254 PolarHBondContact OG-N 2.83Å; S252-M254 VanDerWaalsContact OG-N 3.14Å; M254-P269 CarbonylContact O-C 3.48Å; M254-P269 WeakPolarHBondContact O-CA 3.49Å; M254-V270 VanDerWaalsContact C-CG2 3.48Å; M254-V270 PolarHBondContact O-N 2.98Å; M254-M275 HydrophobicContact CE-CE 3.62Å; M254-M275 HydrophobicContact CE-SD 3.51Å; M254-M275 VanDerWaalsContact CE-SD 3.51Å; M254-M275 HydrophobicContact SD-CE 3.93Å; M254-M275 HydrophobicContact SD-SD 3.89Å
255T94.5Very high94.1Very high42 Ų4231.4 Ų31.426%0.25818%0.177SC..EExtended strand (participates in β ladder)trans-116.8151.8170.856.80000111.7S252 Y268S252-T255 PolarHBondContact O-OG1 3.27Å; T255-Y268 CarbonylContact C-O 3.58Å; T255-Y268 WeakPolarHBondContact CA-O 3.12Å
256Y95.4Very high94Very high4 Ų435.7 Ų35.72%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-138.3162.6171.678.2-27.2000110.8Y268 P269 P271 P289 Y419Y256-Y268 WeakPolarHBondContact CD1-O 3.32Å; Y256-Y268 PolarHBondContact N-O 3.38Å; Y256-Y268 PolarHBondContact O-N 3.35Å; Y256-P269 WeakPolarHBondContact CE1-O 3.29Å; Y256-P271 HydrophobicContact CE2-CG 3.89Å; Y256-P289 HydrophobicContact CD2-CG 4.17Å; Y256-P289 HydrophobicContact CE2-CG 3.72Å; Y256-Y419 WeakPolarHBondContact OH-CE2 3.42Å
257G96.8Very high93.7Very high0 Ų040.8 Ų40.80%021%0.209CC..EExtended strand (participates in β ladder)trans-85.2130.1-17700000112.5T288 P289 T290G257-T288 WeakPolarHBondContact CA-OG1 3.42Å; G257-T288 PolarHBondContact N-OG1 3.1Å; G257-T288 PolarHBondContact O-OG1 3.35Å; G257-P289 WeakPolarHBondContact O-CB 3.42Å; G257-P289 WeakPolarHBondContact O-CD 3.45Å; G257-T290 WeakPolarHBondContact CA-O 3.29Å; G257-T290 PolarHBondContact O-N 2.97Å; G257-T290 PolarHBondContact O-OG1 2.99Å
258G96.2Very high93.5Very high0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-135.7-163.5170.300000111.5F265 R266 T290G258-F265 WeakPolarHBondContact O-CA 3.47Å; G258-R266 PolarHBondContact N-O 3.36Å; G258-R266 PolarHBondContact O-N 2.95Å; G258-T290 WeakPolarHBondContact CA-OG1 3.5Å; G258-T290 PolarHBondContact N-OG1 2.95Å; G258-T290 PolarHBondContact O-OG1 3.41Å; G258-T290 VanDerWaalsContact O-OG1 3.1Å
259F94.6Very high93.3Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-150.6153.5175.663.9-77.3000111.1L263 N264 T290 L321 F325 F411 Y414 Y419 I424F259-L263 HydrophobicContact CD2-CD2 3.78Å; F259-L263 HydrophobicContact CE2-CD2 3.93Å; F259-N264 WeakPolarHBondContact CA-O 3.33Å; F259-N264 WeakPolarHBondContact CB-O 3.42Å; F259-T290 HydrophobicContact CD1-CG2 3.7Å; F259-T290 HydrophobicContact CE1-CG2 4.26Å; F259-L321 HydrophobicContact CB-CD1 4.2Å; F259-L321 HydrophobicContact CB-CD2 3.98Å; F259-L321 HydrophobicContact CG-CD2 4.43Å; F259-F325 HydrophobicContact CD1-CE1 4.02Å; F259-F325 HydrophobicContact CD1-CZ 4.14Å; F259-F325 HydrophobicContact CD2-CZ 4.39Å; F259-F325 AromaticContact CE1-CE1 3.55Å; F259-F325 HydrophobicContact CE1-CE1 3.55Å; F259-F325 AromaticContact CE1-CZ 3.74Å; F259-F325 HydrophobicContact CE1-CZ 3.74Å; F259-F325 AromaticContact CE2-CZ 3.98Å; F259-F325 HydrophobicContact CE2-CZ 3.98Å; F259-F325 HydrophobicContact CG-CZ 4.46Å; F259-F325 AromaticContact CZ-CE1 3.9Å; F259-F325 HydrophobicContact CZ-CE1 3.9Å; F259-F325 AromaticContact CZ-CZ 3.67Å; F259-F325 HydrophobicContact CZ-CZ 3.67Å; F259-F411 HydrophobicContact CE2-CZ 4.43Å; F259-F411 AromaticContact CZ-CZ 3.86Å; F259-F411 HydrophobicContact CZ-CZ 3.86Å; F259-Y414 HydrophobicContact CE1-CE1 4Å; F259-Y414 HydrophobicContact CZ-CE1 4.32Å; F259-Y419 HydrophobicContact CD1-CD1 4.15Å; F259-Y419 AromaticContact CD1-CE1 3.89Å; F259-Y419 HydrophobicContact CD1-CE1 3.89Å; F259-Y419 AromaticContact CE1-CD1 3.64Å; F259-Y419 HydrophobicContact CE1-CD1 3.64Å; F259-Y419 AromaticContact CE1-CE1 3.81Å; F259-Y419 HydrophobicContact CE1-CE1 3.81Å; F259-Y419 HydrophobicContact CZ-CD1 4.36Å; F259-I424 HydrophobicContact CD2-CD1 4.32Å; F259-I424 HydrophobicContact CE2-CD1 3.48Å; F259-I424 VanDerWaalsContact CE2-CD1 3.48Å; F259-I424 HydrophobicContact CZ-CD1 4.17Å
260N90.7Very high93.1Very high1 Ų140.2 Ų40.21%0.00521%0.214CC..  trans-96.2-175.2178.281.4-14.7000112K262 L263 N264 R266 D479 D480N260-K262 PolarHBondContact O-N 2.85Å; N260-K262 VanDerWaalsContact O-N 3.12Å; N260-K262 PolarHBondContact OD1-N 3.09Å; N260-K262 VanDerWaalsContact OD1-N 3.13Å; N260-L263 PolarHBondContact O-N 2.86Å; N260-N264 PolarHBondContact N-O 3.19Å; N260-N264 VanDerWaalsContact N-O 3.11Å; N260-N264 WeakPolarHBondContact OD1-CB 3.49Å; N260-N264 PolarHBondContact OD1-N 2.96Å; N260-R266 HydrophobicContact CB-CG 4.38Å; N260-D479 VanDerWaalsContact CB-OD1 3.27Å; N260-D479 WeakPolarHBondContact CB-OD1 3.17Å; N260-D479 VanDerWaalsContact CG-OD1 3.29Å; N260-D479 PolarHBondContact ND2-OD1 2.81Å; N260-D479 VanDerWaalsContact ND2-OD1 3.12Å; N260-D479 PolarHBondContact ND2-OD2 3.45Å; N260-D480 WeakPolarHBondContact CB-OD1 3.45Å; N260-D480 WeakPolarHBondContact CB-OD2 3.27Å
261W88.5Confident93Very high2 Ų238 Ų381%0.00820%0.195CC..THydrogen-bonded Turntrans-66.5-18.2-174.3-64.64.7000113.8L263 F380 I384 Q423 P425 R477 D479W261-L263 VanDerWaalsContact C-N 3.33Å; W261-F380 HydrophobicContact CB-CD1 4.43Å; W261-F380 HydrophobicContact CB-CE1 3.96Å; W261-F380 HydrophobicContact CD2-CD1 4.4Å; W261-F380 AromaticContact CD2-CE1 3.22Å; W261-F380 HydrophobicContact CD2-CE1 3.22Å; W261-F380 AromaticContact CD2-CZ 3.62Å; W261-F380 HydrophobicContact CD2-CZ 3.62Å; W261-F380 AromaticContact CE2-CE1 3.64Å; W261-F380 AromaticContact CE2-CZ 3.59Å; W261-F380 AromaticContact CE3-CE1 3.4Å; W261-F380 HydrophobicContact CE3-CE1 3.4Å; W261-F380 AromaticContact CE3-CZ 3.66Å; W261-F380 HydrophobicContact CE3-CZ 3.66Å; W261-F380 HydrophobicContact CG-CD1 4.32Å; W261-F380 AromaticContact CG-CE1 3.49Å; W261-F380 HydrophobicContact CG-CE1 3.49Å; W261-F380 VanDerWaalsContact CG-CE1 3.49Å; W261-F380 HydrophobicContact CG-CZ 4.28Å; W261-F380 HydrophobicContact CH2-CE1 4.3Å; W261-F380 AromaticContact CH2-CZ 3.69Å; W261-F380 HydrophobicContact CH2-CZ 3.69Å; W261-F380 HydrophobicContact CZ2-CE1 4.17Å; W261-F380 AromaticContact CZ2-CZ 3.65Å; W261-F380 HydrophobicContact CZ2-CZ 3.65Å; W261-F380 AromaticContact CZ3-CE1 3.93Å; W261-F380 HydrophobicContact CZ3-CE1 3.93Å; W261-F380 AromaticContact CZ3-CZ 3.69Å; W261-F380 HydrophobicContact CZ3-CZ 3.69Å; W261-I384 HydrophobicContact CB-CG1 4.24Å; W261-I384 HydrophobicContact CB-CG2 4.34Å; W261-I384 HydrophobicContact CE3-CD1 3.6Å; W261-I384 HydrophobicContact CE3-CG1 3.94Å; W261-I384 HydrophobicContact CZ3-CD1 4.01Å; W261-Q423 PolarHBondContact NE1-O 3.2Å; W261-P425 HydrophobicContact CZ2-CG 4.35Å; W261-R477 HydrophobicContact CH2-CB 3.85Å; W261-R477 WeakPolarHBondContact CH2-O 3.3Å; W261-R477 HydrophobicContact CZ2-CB 3.89Å; W261-D479 WeakPolarHBondContact CB-OD1 3.39Å; W261-D479 VanDerWaalsContact CD2-CA 3.46Å; W261-D479 PolarHBondContact N-OD1 2.9Å; W261-D479 PolarHBondContact NE1-O 2.91Å
262K89.2Confident92.9Very high74 Ų7443 Ų4332%0.32221%0.212SC..THydrogen-bonded Turntrans-92.99.6178.7-63.3-178.7-179.3177.10112.9N260 N264 F381 I384N260-K262 PolarHBondContact O-N 2.85Å; N260-K262 VanDerWaalsContact O-N 3.12Å; N260-K262 PolarHBondContact OD1-N 3.09Å; N260-K262 VanDerWaalsContact OD1-N 3.13Å; K262-N264 PolarHBondContact O-N 3.07Å; K262-F381 WeakPolarHBondContact O-CE2 3.46Å; K262-I384 HydrophobicContact CD-CG2 4.45Å; K262-I384 HydrophobicContact CG-CG2 3.68Å
263L93.2Very high93Very high6 Ų644 Ų443%0.03121%0.207CC..  trans56.834.2-173.7-57.9178.1000112.7F259 N260 W261 L321 N366 L369 A370 M374 F381F259-L263 HydrophobicContact CD2-CD2 3.78Å; F259-L263 HydrophobicContact CE2-CD2 3.93Å; N260-L263 PolarHBondContact O-N 2.86Å; W261-L263 VanDerWaalsContact C-N 3.33Å; L263-L321 HydrophobicContact CB-CD1 3.93Å; L263-L321 WeakPolarHBondContact O-CD1 3.16Å; L263-N366 HydrophobicContact CD1-CB 4.24Å; L263-L369 HydrophobicContact CD1-CD1 4.01Å; L263-L369 HydrophobicContact CD1-CG 4.39Å; L263-A370 HydrophobicContact CD1-CB 4.47Å; L263-M374 HydrophobicContact CD1-SD 3.85Å; L263-M374 HydrophobicContact CD2-CE 3.91Å; L263-M374 HydrophobicContact CD2-SD 3.74Å; L263-M374 HydrophobicContact CG-SD 4.38Å; L263-F381 HydrophobicContact CB-CD2 4.49Å; L263-F381 HydrophobicContact CB-CE2 4.23Å; L263-F381 HydrophobicContact CD1-CB 4.49Å; L263-F381 HydrophobicContact CD1-CD1 3.56Å; L263-F381 HydrophobicContact CD1-CD2 3.92Å; L263-F381 HydrophobicContact CD1-CE1 3.53Å; L263-F381 HydrophobicContact CD1-CE2 3.93Å; L263-F381 HydrophobicContact CD1-CG 3.73Å; L263-F381 HydrophobicContact CD1-CZ 3.73Å; L263-F381 HydrophobicContact CG-CD1 4.31Å; L263-F381 HydrophobicContact CG-CD2 3.78Å; L263-F381 HydrophobicContact CG-CE1 4.42Å; L263-F381 HydrophobicContact CG-CE2 3.94Å; L263-F381 HydrophobicContact CG-CG 3.97Å; L263-F381 HydrophobicContact CG-CZ 4.24Å
264N91.8Very high93.2Very high71 Ų7143.5 Ų43.538%0.3820%0.204SC..  trans-90.9132.8168.7-64.1-44.9000109.2F259 N260 K262F259-N264 WeakPolarHBondContact CA-O 3.33Å; F259-N264 WeakPolarHBondContact CB-O 3.42Å; N260-N264 PolarHBondContact N-O 3.19Å; N260-N264 VanDerWaalsContact N-O 3.11Å; N260-N264 WeakPolarHBondContact OD1-CB 3.49Å; N260-N264 PolarHBondContact OD1-N 2.96Å; K262-N264 PolarHBondContact O-N 3.07Å
265F94.3Very high93.3Very high50 Ų5042.4 Ų42.422%0.21920%0.198CC..EExtended strand (participates in β ladder)trans-61139.8170.7175.2-92.9000110.9G258 W267 M291 A292G258-F265 WeakPolarHBondContact O-CA 3.47Å; F265-W267 AromaticContact CE1-CD1 3.97Å; F265-W267 AromaticContact CE1-CD2 3.89Å; F265-W267 HydrophobicContact CE1-CD2 3.89Å; F265-W267 AromaticContact CE1-CE2 3.54Å; F265-W267 HydrophobicContact CE1-CG 4.16Å; F265-W267 AromaticContact CE1-CZ2 3.94Å; F265-W267 HydrophobicContact CE1-CZ2 3.94Å; F265-W267 AromaticContact CE1-NE1 3.6Å; F265-W267 AromaticContact CZ-CD2 3.82Å; F265-W267 HydrophobicContact CZ-CD2 3.82Å; F265-W267 AromaticContact CZ-CE2 3.68Å; F265-W267 HydrophobicContact CZ-CE3 4.03Å; F265-W267 HydrophobicContact CZ-CG 4.45Å; F265-W267 HydrophobicContact CZ-CH2 4.01Å; F265-W267 AromaticContact CZ-CZ2 3.79Å; F265-W267 HydrophobicContact CZ-CZ2 3.79Å; F265-W267 HydrophobicContact CZ-CZ3 4.12Å; F265-M291 WeakPolarHBondContact CD2-O 3.38Å; F265-M291 VanDerWaalsContact CE2-C 3.4Å; F265-A292 HydrophobicContact CE1-CB 3.99Å; F265-A292 HydrophobicContact CE2-CB 4.4Å; F265-A292 HydrophobicContact CZ-CB 3.9Å
266R93.1Very high93.3Very high118 Ų11845 Ų4545%0.44521%0.211SC..EExtended strand (participates in β ladder)trans-142.1146.9177.8-67.1-64.5-167.8-1761110.3G258 N260 Y268G258-R266 PolarHBondContact N-O 3.36Å; G258-R266 PolarHBondContact O-N 2.95Å; N260-R266 HydrophobicContact CB-CG 4.38Å; R266-Y268 HydrophobicContact CB-CD2 4.09Å; R266-Y268 HydrophobicContact CB-CE1 4.49Å; R266-Y268 HydrophobicContact CB-CE2 3.41Å; R266-Y268 VanDerWaalsContact CB-CE2 3.41Å; R266-Y268 HydrophobicContact CG-CE2 4.35Å
267W93.4Very high93.3Very high108 Ų10849 Ų4941%0.40923%0.226SC..EExtended strand (participates in β ladder)trans-87.6128.4166.1-65.2110000109.3I238 F265 A292 I336I238-W267 HydrophobicContact CD1-CZ2 4.37Å; F265-W267 AromaticContact CE1-CD1 3.97Å; F265-W267 AromaticContact CE1-CD2 3.89Å; F265-W267 HydrophobicContact CE1-CD2 3.89Å; F265-W267 AromaticContact CE1-CE2 3.54Å; F265-W267 HydrophobicContact CE1-CG 4.16Å; F265-W267 AromaticContact CE1-CZ2 3.94Å; F265-W267 HydrophobicContact CE1-CZ2 3.94Å; F265-W267 AromaticContact CE1-NE1 3.6Å; F265-W267 AromaticContact CZ-CD2 3.82Å; F265-W267 HydrophobicContact CZ-CD2 3.82Å; F265-W267 AromaticContact CZ-CE2 3.68Å; F265-W267 HydrophobicContact CZ-CE3 4.03Å; F265-W267 HydrophobicContact CZ-CG 4.45Å; F265-W267 HydrophobicContact CZ-CH2 4.01Å; F265-W267 AromaticContact CZ-CZ2 3.79Å; F265-W267 HydrophobicContact CZ-CZ2 3.79Å; F265-W267 HydrophobicContact CZ-CZ3 4.12Å; W267-A292 HydrophobicContact CH2-CB 4.48Å; W267-A292 HydrophobicContact CZ2-CB 4.04Å; W267-I336 HydrophobicContact CZ3-CD1 3.98Å
268Y92.8Very high93.2Very high36 Ų3649.2 Ų49.214%0.14123%0.227CC..EExtended strand (participates in β ladder)trans-120.2158.2174.7-64.9-84000109.8T255 Y256 R266 Y419 Q423 D480T255-Y268 CarbonylContact C-O 3.58Å; T255-Y268 WeakPolarHBondContact CA-O 3.12Å; Y256-Y268 WeakPolarHBondContact CD1-O 3.32Å; Y256-Y268 PolarHBondContact N-O 3.38Å; Y256-Y268 PolarHBondContact O-N 3.35Å; R266-Y268 HydrophobicContact CB-CD2 4.09Å; R266-Y268 HydrophobicContact CB-CE1 4.49Å; R266-Y268 HydrophobicContact CB-CE2 3.41Å; R266-Y268 VanDerWaalsContact CB-CE2 3.41Å; R266-Y268 HydrophobicContact CG-CE2 4.35Å; Y268-Y419 WeakPolarHBondContact CD2-OH 3.42Å; Y268-Y419 WeakPolarHBondContact CE2-OH 3.27Å; Y268-Q423 HydrophobicContact CE1-CG 4.45Å; Y268-D480 PolarHBondContact OH-OD1 3.3Å
269P93.6Very high93.2Very high100 Ų10058.6 Ų58.665%0.64927%0.267SS*.EExtended strand (participates in β ladder)trans-61.2144.3169-20.433.1000111.1M254 Y256M254-P269 CarbonylContact O-C 3.48Å; M254-P269 WeakPolarHBondContact O-CA 3.49Å; Y256-P269 WeakPolarHBondContact CE1-O 3.29Å
270V94.1Very high92.9Very high13 Ų1361.3 Ų61.38%0.07930%0.296CS..PPolyproline II helixtrans-61.6126.3174.61750000109.6M254 E274 M275 V286M254-V270 VanDerWaalsContact C-CG2 3.48Å; M254-V270 PolarHBondContact O-N 2.98Å; V270-E274 HydrophobicContact CG1-CB 3.73Å; V270-E274 HydrophobicContact CG1-CG 3.76Å; V270-M275 HydrophobicContact CB-SD 4.41Å; V270-M275 HydrophobicContact CG1-CG 4.22Å; V270-M275 HydrophobicContact CG1-SD 3.97Å; V270-V286 HydrophobicContact CG1-CG1 4.45Å; V270-V286 HydrophobicContact CG2-CG1 3.9Å; V270-V286 HydrophobicContact CG2-CG2 4.24Å
271P92.4Very high93.1Very high15 Ų1564.4 Ų64.410%0.09731%0.312CS..PPolyproline II helixtrans-72.6154.9-176.129.8-36.4000111.4Y256 R273 E274 M275Y256-P271 HydrophobicContact CE2-CG 3.89Å; P271-R273 HydrophobicContact CB-CG 4.18Å; P271-R273 HydrophobicContact CG-CG 3.98Å; P271-R273 PolarHBondContact O-N 3.21Å; P271-R273 VanDerWaalsContact O-N 3.15Å; P271-E274 HydrophobicContact CG-CB 4.15Å; P271-E274 PolarHBondContact O-N 2.88Å; P271-M275 PolarHBondContact O-N 3.11Å
272Q92Very high93.4Very high127 Ų12769.4 Ų69.459%0.59333%0.331SS*.Hα-helixtrans-54.4-38.9-177.1-171.159.744.300112.7E274 M275 D276Q272-E274 PolarHBondContact O-N 3.32Å; Q272-E274 VanDerWaalsContact O-N 3.14Å; Q272-M275 WeakPolarHBondContact O-CA 3.3Å; Q272-M275 WeakPolarHBondContact O-CB 3.37Å; Q272-M275 PolarHBondContact O-N 3.32Å; Q272-D276 PolarHBondContact NE2-OD1 3.4Å; Q272-D276 PolarHBondContact O-N 3.44Å
273R93.4Very high93.7Very high80 Ų8066.6 Ų66.630%0.30232%0.32SS..Hα-helixtrans-54.7-35.6176.469.4179.9173.190.7-2.7113.7P271 R277 V418 D421P271-R273 HydrophobicContact CB-CG 4.18Å; P271-R273 HydrophobicContact CG-CG 3.98Å; P271-R273 PolarHBondContact O-N 3.21Å; P271-R273 VanDerWaalsContact O-N 3.15Å; R273-R277 PolarHBondContact O-N 3.12Å; R273-R277 VanDerWaalsContact O-N 3.08Å; R273-V418 PolarHBondContact NH2-O 3.4Å; R273-D421 IonicContact CZ-OD2 2.9Å; R273-D421 VanDerWaalsContact CZ-OD2 3.28Å; R273-D421 IonicContact NE-OD2 2.7Å; R273-D421 PolarHBondContact NE-OD2 3.31Å; R273-D421 IonicContact NH2-OD2 2.65Å; R273-D421 PolarHBondContact NH2-OD2 3.21Å
274E95.3Very high93.9Very high4 Ų469.2 Ų69.22%0.01933%0.334CS..Hα-helixtrans-85.7-27.8-177.5-177.759.5-166.100110.8V270 P271 Q272 R277 R278 V286 R287V270-E274 HydrophobicContact CG1-CB 3.73Å; V270-E274 HydrophobicContact CG1-CG 3.76Å; P271-E274 HydrophobicContact CG-CB 4.15Å; P271-E274 PolarHBondContact O-N 2.88Å; Q272-E274 PolarHBondContact O-N 3.32Å; Q272-E274 VanDerWaalsContact O-N 3.14Å; E274-R277 VanDerWaalsContact CD-NE 3.31Å; E274-R277 IonicContact OE1-CZ 2.74Å; E274-R277 VanDerWaalsContact OE1-CZ 3.28Å; E274-R277 IonicContact OE1-NE 3.5Å; E274-R277 PolarHBondContact OE1-NE 3.38Å; E274-R277 IonicContact OE1-NH2 3.37Å; E274-R277 PolarHBondContact OE1-NH2 3.06Å; E274-R277 WeakPolarHBondContact OE2-CD 3.31Å; E274-R277 IonicContact OE2-CZ 3.23Å; E274-R277 IonicContact OE2-NE 3Å; E274-R277 PolarHBondContact OE2-NE 2.84Å; E274-R278 WeakPolarHBondContact O-CG 3.21Å; E274-R278 PolarHBondContact O-N 3.05Å; E274-R278 PolarHBondContact O-NE 2.87Å; E274-V286 HydrophobicContact CG-CG1 4.07Å; E274-R287 PolarHBondContact OE1-N 3.2Å
275M93.4Very high94.2Very high39 Ų3967 Ų6719%0.19232%0.323CS..Hα-helixtrans-62.8-46.3165.5-62.3-60.7-64.400111.1M254 V270 P271 Q272 R278 K279M254-M275 HydrophobicContact CE-CE 3.62Å; M254-M275 HydrophobicContact CE-SD 3.51Å; M254-M275 VanDerWaalsContact CE-SD 3.51Å; M254-M275 HydrophobicContact SD-CE 3.93Å; M254-M275 HydrophobicContact SD-SD 3.89Å; V270-M275 HydrophobicContact CB-SD 4.41Å; V270-M275 HydrophobicContact CG1-CG 4.22Å; V270-M275 HydrophobicContact CG1-SD 3.97Å; P271-M275 PolarHBondContact O-N 3.11Å; Q272-M275 WeakPolarHBondContact O-CA 3.3Å; Q272-M275 WeakPolarHBondContact O-CB 3.37Å; Q272-M275 PolarHBondContact O-N 3.32Å; M275-R278 PolarHBondContact O-N 2.94Å; M275-R278 PolarHBondContact SD-NH2 3Å; M275-K279 PolarHBondContact O-N 2.83Å
276D95.2Very high94.4Very high96 Ų9664.6 Ų64.651%0.51331%0.313SS..Hα-helixtrans-64.3-42.4-179.7-62.3-21.6000111.3Q272 R278 K279Q272-D276 PolarHBondContact NE2-OD1 3.4Å; Q272-D276 PolarHBondContact O-N 3.44Å; D276-R278 PolarHBondContact O-N 3.35Å; D276-K279 PolarHBondContact O-N 2.63Å
277R95.7Very high94.6Very high88 Ų8864.1 Ų64.133%0.33231%0.311SS..Hα-helixtrans-56.3-39.3174.7-170.5-165.967.976-1.4112.1R273 E274 K279 P285R273-R277 PolarHBondContact O-N 3.12Å; R273-R277 VanDerWaalsContact O-N 3.08Å; E274-R277 VanDerWaalsContact CD-NE 3.31Å; E274-R277 IonicContact OE1-CZ 2.74Å; E274-R277 VanDerWaalsContact OE1-CZ 3.28Å; E274-R277 IonicContact OE1-NE 3.5Å; E274-R277 PolarHBondContact OE1-NE 3.38Å; E274-R277 IonicContact OE1-NH2 3.37Å; E274-R277 PolarHBondContact OE1-NH2 3.06Å; E274-R277 WeakPolarHBondContact OE2-CD 3.31Å; E274-R277 IonicContact OE2-CZ 3.23Å; E274-R277 IonicContact OE2-NE 3Å; E274-R277 PolarHBondContact OE2-NE 2.84Å; R277-K279 VanDerWaalsContact C-N 3.29Å; R277-P285 PolarHBondContact NH2-O 3.44Å
278R95.3Very high94.8Very high6 Ų659 Ų592%0.02329%0.291CS..THydrogen-bonded Turntrans-80.4-8179.3-68.1-173.9-66.5167.5-0.4113.3E274 M275 D276 G280 D281 L284E274-R278 WeakPolarHBondContact O-CG 3.21Å; E274-R278 PolarHBondContact O-N 3.05Å; E274-R278 PolarHBondContact O-NE 2.87Å; M275-R278 PolarHBondContact O-N 2.94Å; M275-R278 PolarHBondContact SD-NH2 3Å; D276-R278 PolarHBondContact O-N 3.35Å; R278-G280 PolarHBondContact O-N 2.96Å; R278-G280 VanDerWaalsContact O-N 3.15Å; R278-D281 WeakPolarHBondContact O-CB 3.43Å; R278-D281 PolarHBondContact O-N 3.4Å; R278-L284 HydrophobicContact CB-CD1 4.35Å; R278-L284 WeakPolarHBondContact CD-O 3.22Å; R278-L284 HydrophobicContact CG-CB 4.04Å; R278-L284 HydrophobicContact CG-CD1 4.49Å
279K95.1Very high95.1Very high196 Ų19657.3 Ų57.385%0.85229%0.285SS*.THydrogen-bonded Turntrans51.635.7-179.8-56.6-178.5-180-179.40113.1M275 D276 R277 D281M275-K279 PolarHBondContact O-N 2.83Å; D276-K279 PolarHBondContact O-N 2.63Å; R277-K279 VanDerWaalsContact C-N 3.29Å; K279-D281 VanDerWaalsContact C-N 3.31Å; K279-D281 PolarHBondContact O-N 2.91Å
280G88.9Confident95.3Very high58 Ų5852.6 Ų52.660%0.59825%0.254SS*.THydrogen-bonded Turntrans81-5.2-177.800000115.9R278 R282R278-G280 PolarHBondContact O-N 2.96Å; R278-G280 VanDerWaalsContact O-N 3.15Å; G280-R282 PolarHBondContact O-N 3.14Å; G280-R282 VanDerWaalsContact O-N 3.13Å
281D94.9Very high95.5Very high66 Ų6652.1 Ų52.135%0.35325%0.252SS..  trans-78.698.1174.9-175.4-2000111.1R278 K279 T283 L284R278-D281 WeakPolarHBondContact O-CB 3.43Å; R278-D281 PolarHBondContact O-N 3.4Å; K279-D281 VanDerWaalsContact C-N 3.31Å; K279-D281 PolarHBondContact O-N 2.91Å; D281-T283 VanDerWaalsContact CG-OG1 3.31Å; D281-T283 PolarHBondContact O-N 3.48Å; D281-T283 WeakPolarHBondContact OD1-CA 3.42Å; D281-T283 VanDerWaalsContact OD1-CB 3.28Å; D281-T283 WeakPolarHBondContact OD1-CB 3.4Å; D281-T283 WeakPolarHBondContact OD1-CG2 3.34Å; D281-T283 PolarHBondContact OD1-N 2.86Å; D281-T283 PolarHBondContact OD1-OG1 3.09Å; D281-T283 PolarHBondContact OD2-OG1 3.42Å; D281-L284 HydrophobicContact CB-CD1 3.94Å; D281-L284 HydrophobicContact CB-CG 3.95Å; D281-L284 PolarHBondContact O-N 3.02Å; D281-L284 WeakPolarHBondContact OD2-CG 3.38Å
282R95.1Very high95.6Very high107 Ų10753 Ų5340%0.40426%0.26SS..THydrogen-bonded Turntrans-68.7-14.5179-66.9174.365.6-171.92.3113.5L103 D253 G280 L284 T338L103-R282 HydrophobicContact CD1-CB 3.76Å; D253-R282 IonicContact OD1-CZ 3.95Å; D253-R282 IonicContact OD1-NE 3.3Å; D253-R282 IonicContact OD1-NH2 2.93Å; D253-R282 PolarHBondContact OD1-NH2 3.36Å; D253-R282 IonicContact OD2-CZ 2.79Å; D253-R282 IonicContact OD2-NE 3.01Å; D253-R282 PolarHBondContact OD2-NE 3.25Å; D253-R282 IonicContact OD2-NH2 3.28Å; D253-R282 PolarHBondContact OD2-NH2 3.27Å; G280-R282 PolarHBondContact O-N 3.14Å; G280-R282 VanDerWaalsContact O-N 3.13Å; R282-L284 VanDerWaalsContact C-N 3.27Å; R282-L284 PolarHBondContact O-N 3.26Å; R282-T338 WeakPolarHBondContact O-CB 3.44Å; R282-T338 PolarHBondContact O-OG1 3.45Å
283T95.9Very high95.4Very high15 Ų1547 Ų479%0.09223%0.233CC..THydrogen-bonded Turntrans-81-9.2177.278.40000112.7L103 K109 D281 T338L103-T283 HydrophobicContact CD1-CG2 4.44Å; K109-T283 WeakPolarHBondContact CE-OG1 3.34Å; K109-T283 VanDerWaalsContact NZ-CB 3.28Å; K109-T283 PolarHBondContact NZ-O 2.95Å; K109-T283 PolarHBondContact NZ-OG1 3.37Å; D281-T283 VanDerWaalsContact CG-OG1 3.31Å; D281-T283 PolarHBondContact O-N 3.48Å; D281-T283 WeakPolarHBondContact OD1-CA 3.42Å; D281-T283 VanDerWaalsContact OD1-CB 3.28Å; D281-T283 WeakPolarHBondContact OD1-CB 3.4Å; D281-T283 WeakPolarHBondContact OD1-CG2 3.34Å; D281-T283 PolarHBondContact OD1-N 2.86Å; D281-T283 PolarHBondContact OD1-OG1 3.09Å; D281-T283 PolarHBondContact OD2-OG1 3.42Å; T283-T338 VanDerWaalsContact C-OG1 3.23Å; T283-T338 WeakPolarHBondContact CA-OG1 3.33Å; T283-T338 PolarHBondContact O-OG1 2.98Å
284L96.9Very high95.1Very high60 Ų6043.7 Ų43.731%0.31422%0.223SC..SBendtrans-78.7142.3173.8-64.9178.7000110.7R278 D281 R282 T338R278-L284 HydrophobicContact CB-CD1 4.35Å; R278-L284 WeakPolarHBondContact CD-O 3.22Å; R278-L284 HydrophobicContact CG-CB 4.04Å; R278-L284 HydrophobicContact CG-CD1 4.49Å; D281-L284 HydrophobicContact CB-CD1 3.94Å; D281-L284 HydrophobicContact CB-CG 3.95Å; D281-L284 PolarHBondContact O-N 3.02Å; D281-L284 WeakPolarHBondContact OD2-CG 3.38Å; R282-L284 VanDerWaalsContact C-N 3.27Å; R282-L284 PolarHBondContact O-N 3.26Å; L284-T338 PolarHBondContact O-OG1 2.67Å
285P97.6Very high95.2Very high24 Ų2443.6 Ų43.616%0.15622%0.223CC..PPolyproline II helixtrans-55.5146.8176-23.832.8000112.5R277 E335 I336 V337R277-P285 PolarHBondContact NH2-O 3.44Å; P285-E335 HydrophobicContact CB-CB 3.97Å; P285-I336 CarbonylContact C-O 3.54Å; P285-I336 WeakPolarHBondContact CA-O 3.37Å; P285-V337 HydrophobicContact CB-CG2 4.36Å; P285-V337 HydrophobicContact CG-CG2 4.25Å
286V98.1Very high95.5Very high1 Ų141.9 Ų41.91%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-93.9124.1174.3175.30000108.9V270 E274 T288 E335 I336 T338V270-V286 HydrophobicContact CG1-CG1 4.45Å; V270-V286 HydrophobicContact CG2-CG1 3.9Å; V270-V286 HydrophobicContact CG2-CG2 4.24Å; E274-V286 HydrophobicContact CG-CG1 4.07Å; V286-T288 PolarHBondContact O-N 3.2Å; V286-E335 CarbonylContact O-C 3.38Å; V286-E335 VanDerWaalsContact O-CA 3.24Å; V286-E335 WeakPolarHBondContact O-CA 3.29Å; V286-I336 HydrophobicContact CB-CB 4.35Å; V286-I336 PolarHBondContact N-O 3.33Å; V286-I336 PolarHBondContact O-N 3.31Å; V286-T338 HydrophobicContact CG2-CG2 3.99Å
287R98.1Very high95.6Very high107 Ų10737.3 Ų37.340%0.40419%0.19SC..EExtended strand (participates in β ladder)trans-69.4121.9169.1-70176.5176.9177.9-1.2109.3E274 W328 T333 E335E274-R287 PolarHBondContact OE1-N 3.2Å; R287-W328 HydrophobicContact CB-CH2 4.28Å; R287-W328 HydrophobicContact CB-CZ2 4.36Å; R287-W328 HydrophobicContact CG-CH2 4.36Å; R287-T333 HydrophobicContact CG-CG2 4.48Å; R287-E335 HydrophobicContact CG-CG 4.41Å
288T98.4Very high95.8Very high0 Ų033.1 Ų33.10%017%0.174CC..  trans-115.7130-174.9-171.90000111.1G257 V286 T290 W328 L334 I336G257-T288 WeakPolarHBondContact CA-OG1 3.42Å; G257-T288 PolarHBondContact N-OG1 3.1Å; G257-T288 PolarHBondContact O-OG1 3.35Å; V286-T288 PolarHBondContact O-N 3.2Å; T288-T290 VanDerWaalsContact C-N 3.28Å; T288-T290 WeakPolarHBondContact CG2-O 3.42Å; T288-T290 PolarHBondContact O-N 2.87Å; T288-T290 PolarHBondContact OG1-O 3.33Å; T288-W328 PolarHBondContact O-NE1 3.42Å; T288-L334 HydrophobicContact CG2-CB 4.45Å; T288-L334 HydrophobicContact CG2-CD2 3.94Å; T288-L334 HydrophobicContact CG2-CG 3.62Å; T288-L334 PolarHBondContact N-O 3.33Å; T288-I336 HydrophobicContact CG2-CD1 4.22Å; T288-I336 HydrophobicContact CG2-CG1 3.81Å
289P98.3Very high96Very high1 Ų134.1 Ų34.11%0.00618%0.18CC..SBendtrans-53.7-46.1174-28.132.8000112.6Y256 G257 W328 Y414 V418 Y419Y256-P289 HydrophobicContact CD2-CG 4.17Å; Y256-P289 HydrophobicContact CE2-CG 3.72Å; G257-P289 WeakPolarHBondContact O-CB 3.42Å; G257-P289 WeakPolarHBondContact O-CD 3.45Å; P289-W328 PolarHBondContact O-NE1 2.75Å; P289-Y414 WeakPolarHBondContact CB-OH 3.37Å; P289-Y414 PolarHBondContact O-OH 3.38Å; P289-V418 HydrophobicContact CB-CG1 4.46Å; P289-Y419 HydrophobicContact CB-CD1 3.93Å; P289-Y419 HydrophobicContact CB-CD2 4.06Å; P289-Y419 HydrophobicContact CB-CE1 4.49Å; P289-Y419 HydrophobicContact CB-CG 3.7Å; P289-Y419 HydrophobicContact CG-CD1 4.22Å; P289-Y419 HydrophobicContact CG-CD2 3.42Å; P289-Y419 VanDerWaalsContact CG-CD2 3.42Å; P289-Y419 HydrophobicContact CG-CE2 3.96Å; P289-Y419 HydrophobicContact CG-CG 3.57Å
290T98.3Very high96.1Very high1 Ų127.6 Ų27.61%0.00615%0.15CC..BIsolated β-bridgetrans-135162.1-178.7670000111.9G257 G258 F259 T288 L321 S324 F325G257-T290 WeakPolarHBondContact CA-O 3.29Å; G257-T290 PolarHBondContact O-N 2.97Å; G257-T290 PolarHBondContact O-OG1 2.99Å; G258-T290 WeakPolarHBondContact CA-OG1 3.5Å; G258-T290 PolarHBondContact N-OG1 2.95Å; G258-T290 PolarHBondContact O-OG1 3.41Å; G258-T290 VanDerWaalsContact O-OG1 3.1Å; F259-T290 HydrophobicContact CD1-CG2 3.7Å; F259-T290 HydrophobicContact CE1-CG2 4.26Å; T288-T290 VanDerWaalsContact C-N 3.28Å; T288-T290 WeakPolarHBondContact CG2-O 3.42Å; T288-T290 PolarHBondContact O-N 2.87Å; T288-T290 PolarHBondContact OG1-O 3.33Å; T290-L321 HydrophobicContact CG2-CD2 3.65Å; T290-S324 WeakPolarHBondContact CA-OG 3.47Å; T290-F325 HydrophobicContact CG2-CE1 4.04Å
291M97.4Very high96.6Very high4 Ų428.6 Ų28.62%0.0214%0.141CC..  trans-107.4155.2170.764.4179.890.400111V233 F265 G293 F296 N320 I323 S324 I327 L334V233-M291 HydrophobicContact CG1-CE 4.15Å; F265-M291 WeakPolarHBondContact CD2-O 3.38Å; F265-M291 VanDerWaalsContact CE2-C 3.4Å; M291-G293 PolarHBondContact O-N 3.13Å; M291-F296 HydrophobicContact SD-CB 4.32Å; M291-F296 HydrophobicContact SD-CD1 3.98Å; M291-F296 HydrophobicContact SD-CE1 4.44Å; M291-F296 HydrophobicContact SD-CG 4.04Å; M291-N320 HydrophobicContact CG-CB 4.46Å; M291-N320 PolarHBondContact O-ND2 2.83Å; M291-I323 HydrophobicContact CE-CG2 3.75Å; M291-I323 HydrophobicContact SD-CG2 4.11Å; M291-S324 PolarHBondContact N-OG 3.02Å; M291-S324 VanDerWaalsContact N-OG 3.11Å; M291-I327 HydrophobicContact CE-CD1 3.65Å; M291-L334 HydrophobicContact CB-CD1 4.46Å; M291-L334 HydrophobicContact CB-CD2 4.06Å; M291-L334 HydrophobicContact CE-CD1 3.59Å; M291-L334 HydrophobicContact CE-CD2 3.89Å; M291-L334 HydrophobicContact CE-CG 4.38Å; M291-L334 HydrophobicContact CG-CD2 4.42Å
292A94.3Very high96.8Very high33 Ų3325.7 Ų25.727%0.27313%0.125SC..  trans-62.2-30.1168.400000111.6I238 F265 W267I238-A292 HydrophobicContact CD1-CB 3.83Å; F265-A292 HydrophobicContact CE1-CB 3.99Å; F265-A292 HydrophobicContact CE2-CB 4.4Å; F265-A292 HydrophobicContact CZ-CB 3.9Å; W267-A292 HydrophobicContact CH2-CB 4.48Å; W267-A292 HydrophobicContact CZ2-CB 4.04Å
293G87.1Confident96.9Very high2 Ų220.7 Ų20.72%0.02111%0.107CC..SBendtrans94-18.4171.600000115R193 M291R193-G293 VanDerWaalsContact CZ-O 3.24Å; R193-G293 PolarHBondContact NH1-O 2.78Å; R193-G293 PolarHBondContact NH2-O 3.4Å; M291-G293 PolarHBondContact O-N 3.13Å
294G87.6Confident97Very high10 Ų1025.2 Ų25.210%0.10313%0.127CC..SBendtrans-63-50.7175.400000113.1R193 D209R193-G294 VanDerWaalsContact NH2-CA 3.3Å; R193-G294 PolarHBondContact NH2-O 3.01Å; D209-G294 WeakPolarHBondContact OD2-CA 3.49Å
295L97.8Very high97.1Very high2 Ų226.7 Ų26.71%0.0113%0.132CC..SBendtrans-126.4117.6-167.7-64.574.4000110.9F207 L208 C235 P236 I238 V342F207-L295 WeakPolarHBondContact O-CA 3.47Å; L208-L295 HydrophobicContact CD2-CB 4.22Å; L208-L295 HydrophobicContact CD2-CD2 3.78Å; L208-L295 HydrophobicContact CD2-CG 3.82Å; C235-L295 PolarHBondContact SG-O 2.85Å; P236-L295 HydrophobicContact CG-CB 3.98Å; P236-L295 HydrophobicContact CG-CD2 4.22Å; I238-L295 HydrophobicContact CD1-CD1 4.32Å; L295-V342 HydrophobicContact CD2-CB 3.59Å; L295-V342 HydrophobicContact CD2-CG1 3.35Å; L295-V342 HydrophobicContact CD2-CG2 4.37Å
296F98.8Very high97.1Very high2 Ų225.7 Ų25.71%0.00913%0.126CC..EExtended strand (participates in β ladder)trans-163.9157.6174.368.8-79.1000111.9F207 V233 V234 M291 I298 Y309F207-F296 HydrophobicContact CB-CD1 4.16Å; F207-F296 HydrophobicContact CB-CE1 3.96Å; F207-F296 HydrophobicContact CD2-CD1 4.16Å; F207-F296 HydrophobicContact CD2-CD2 4.17Å; F207-F296 AromaticContact CD2-CE1 3.53Å; F207-F296 HydrophobicContact CD2-CE1 3.53Å; F207-F296 AromaticContact CD2-CE2 3.55Å; F207-F296 HydrophobicContact CD2-CE2 3.55Å; F207-F296 HydrophobicContact CD2-CG 4.45Å; F207-F296 AromaticContact CD2-CZ 3.19Å; F207-F296 HydrophobicContact CD2-CZ 3.19Å; F207-F296 HydrophobicContact CE2-CE1 4.26Å; F207-F296 AromaticContact CE2-CE2 3.79Å; F207-F296 HydrophobicContact CE2-CE2 3.79Å; F207-F296 AromaticContact CE2-CZ 3.5Å; F207-F296 HydrophobicContact CE2-CZ 3.5Å; F207-F296 VanDerWaalsContact CE2-CZ 3.5Å; F207-F296 AromaticContact CG-CE1 3.94Å; F207-F296 HydrophobicContact CG-CE1 3.94Å; F207-F296 HydrophobicContact CG-CZ 4.03Å; F207-F296 PolarHBondContact N-O 3.38Å; F207-F296 PolarHBondContact O-N 3.47Å; V233-F296 HydrophobicContact CG1-CD2 3.77Å; V233-F296 HydrophobicContact CG1-CE2 4.49Å; V234-F296 CarbonylContact O-C 3.48Å; V234-F296 VanDerWaalsContact O-CA 3.24Å; V234-F296 WeakPolarHBondContact O-CA 3.32Å; V234-F296 WeakPolarHBondContact O-CB 3.35Å; M291-F296 HydrophobicContact SD-CB 4.32Å; M291-F296 HydrophobicContact SD-CD1 3.98Å; M291-F296 HydrophobicContact SD-CE1 4.44Å; M291-F296 HydrophobicContact SD-CG 4.04Å; F296-I298 HydrophobicContact CD2-CB 4.29Å; F296-I298 HydrophobicContact CD2-CG2 4.27Å; F296-I298 HydrophobicContact CE2-CB 4.23Å; F296-I298 HydrophobicContact CE2-CG2 3.83Å; F296-Y309 VanDerWaalsContact CE1-OH 3.31Å; F296-Y309 WeakPolarHBondContact CE1-OH 3.42Å; F296-Y309 HydrophobicContact CZ-CE2 4.38Å; F296-Y309 WeakPolarHBondContact CZ-OH 3.42Å
297S98.9Very high97.1Very high1 Ų126.3 Ų26.31%0.00713%0.132CC..EExtended strand (participates in β ladder)trans-116.3140.1172.2-56.20000110.4I205 T206 V234I205-S297 CarbonylContact O-C 3.59Å; I205-S297 VanDerWaalsContact O-CA 3.27Å; I205-S297 WeakPolarHBondContact O-CA 3.29Å; T206-S297 WeakPolarHBondContact CB-OG 3.36Å; T206-S297 VanDerWaalsContact CG2-OG 3.29Å; T206-S297 WeakPolarHBondContact CG2-OG 3.42Å; T206-S297 PolarHBondContact OG1-OG 3.29Å; V234-S297 PolarHBondContact N-O 3.49Å; V234-S297 PolarHBondContact O-N 2.75Å
298I98.9Very high97Very high0 Ų023 Ų230%012%0.124CC..EExtended strand (participates in β ladder)trans-145.2141.5-179.1-172.3165000110.5V204 I205 F207 V233 F296 R300 Y302 F303 I306V204-I298 CarbonylContact C-O 3.51Å; V204-I298 WeakPolarHBondContact CA-O 3.42Å; V204-I298 WeakPolarHBondContact CG1-O 3.44Å; I205-I298 HydrophobicContact CB-CG2 4.33Å; I205-I298 PolarHBondContact N-O 2.85Å; I205-I298 PolarHBondContact O-N 2.88Å; F207-I298 HydrophobicContact CE2-CG2 4.27Å; V233-I298 HydrophobicContact CG1-CB 4.28Å; V233-I298 HydrophobicContact CG1-CD1 4.4Å; V233-I298 HydrophobicContact CG2-CB 4.45Å; V233-I298 HydrophobicContact CG2-CD1 3.53Å; V233-I298 HydrophobicContact CG2-CG1 3.84Å; F296-I298 HydrophobicContact CD2-CB 4.29Å; F296-I298 HydrophobicContact CD2-CG2 4.27Å; F296-I298 HydrophobicContact CE2-CB 4.23Å; F296-I298 HydrophobicContact CE2-CG2 3.83Å; I298-R300 PolarHBondContact O-N 3.5Å; I298-Y302 HydrophobicContact CD1-CD1 4Å; I298-Y302 HydrophobicContact CD1-CE1 4.42Å; I298-Y302 HydrophobicContact CG1-CD1 4.04Å; I298-F303 HydrophobicContact CD1-CB 3.89Å; I298-F303 HydrophobicContact CD1-CD2 3.92Å; I298-F303 HydrophobicContact CD1-CG 4.35Å; I298-F303 HydrophobicContact CG1-CB 4.13Å; I298-F303 HydrophobicContact CG2-CB 4Å; I298-F303 HydrophobicContact CG2-CD2 4.33Å; I298-F303 HydrophobicContact CG2-CG 4.22Å; I298-I306 HydrophobicContact CD1-CD1 4.1Å
299D98.9Very high97Very high26 Ų2623.1 Ų23.114%0.13912%0.124CC..EExtended strand (participates in β ladder)trans-56.3129.2168.7177.3-90.7000110.2I226 R230 D301 Y302 F303I226-D299 HydrophobicContact CG2-CB 3.87Å; R230-D299 HydrophobicContact CB-CB 4.2Å; R230-D299 WeakPolarHBondContact O-CB 3.46Å; D299-D301 VanDerWaalsContact C-N 3.34Å; D299-D301 PolarHBondContact O-N 3.25Å; D299-D301 PolarHBondContact OD1-N 3.48Å; D299-Y302 PolarHBondContact O-N 3.14Å; D299-Y302 WeakPolarHBondContact OD1-CB 3.31Å; D299-Y302 PolarHBondContact OD1-N 2.94Å; D299-F303 PolarHBondContact O-N 2.89Å
300R98.6Very high96.9Very high59 Ų5923.2 Ų23.222%0.22313%0.125CC..Hα-helixtrans-62.1-44.1-171.8179.8-176.168.6-152.5-10.3111.7S200 K201 G202 Q203 I205 I298 F303 Q304S200-R300 PolarHBondContact O-NH1 2.82Å; K201-R300 PolarHBondContact O-NH1 2.66Å; G202-R300 PolarHBondContact O-NH1 2.89Å; Q203-R300 WeakPolarHBondContact O-CB 3.44Å; Q203-R300 PolarHBondContact O-N 3.13Å; I205-R300 HydrophobicContact CD1-CB 4.2Å; I205-R300 HydrophobicContact CD1-CG 3.9Å; I205-R300 HydrophobicContact CG1-CB 4.03Å; I205-R300 HydrophobicContact CG1-CG 4.11Å; I298-R300 PolarHBondContact O-N 3.5Å; R300-F303 WeakPolarHBondContact O-CB 3.32Å; R300-F303 PolarHBondContact O-N 3.46Å; R300-Q304 PolarHBondContact O-N 2.96Å
301D98.5Very high96.7Very high79 Ų7925.6 Ų25.642%0.42215%0.145SC..Hα-helixtrans-72.2-39.3-175.9-62.5-8.5000109.2D299 F303 Q304 E305D299-D301 VanDerWaalsContact C-N 3.34Å; D299-D301 PolarHBondContact O-N 3.25Å; D299-D301 PolarHBondContact OD1-N 3.48Å; D301-F303 PolarHBondContact O-N 3.01Å; D301-Q304 PolarHBondContact O-N 3.48Å; D301-E305 VanDerWaalsContact O-CG 3.28Å; D301-E305 WeakPolarHBondContact O-CG 3.48Å; D301-E305 PolarHBondContact O-N 3.02Å
302Y98.8Very high96.6Very high5 Ų526.5 Ų26.52%0.0215%0.154CC..Hα-helixtrans-59.5-42.7170.7-175.1-123.3000112.6R231 V233 I298 D299 Q304 E305 I306 G332R231-Y302 HydrophobicContact CB-CD2 4.41Å; R231-Y302 HydrophobicContact CB-CE1 4.28Å; R231-Y302 HydrophobicContact CB-CE2 3.98Å; R231-Y302 HydrophobicContact CG-CD2 3.94Å; R231-Y302 HydrophobicContact CG-CE2 3.73Å; R231-Y302 WeakPolarHBondContact O-CE1 3.19Å; V233-Y302 HydrophobicContact CG2-CD1 4.43Å; V233-Y302 HydrophobicContact CG2-CE1 4.01Å; I298-Y302 HydrophobicContact CD1-CD1 4Å; I298-Y302 HydrophobicContact CD1-CE1 4.42Å; I298-Y302 HydrophobicContact CG1-CD1 4.04Å; D299-Y302 PolarHBondContact O-N 3.14Å; D299-Y302 WeakPolarHBondContact OD1-CB 3.31Å; D299-Y302 PolarHBondContact OD1-N 2.94Å; Y302-Q304 VanDerWaalsContact C-N 3.26Å; Y302-Q304 PolarHBondContact O-N 3.44Å; Y302-E305 PolarHBondContact O-N 2.96Å; Y302-I306 HydrophobicContact CD1-CD1 4.47Å; Y302-I306 HydrophobicContact CD2-CG2 3.92Å; Y302-I306 HydrophobicContact CE1-CD1 4.04Å; Y302-I306 HydrophobicContact CE1-CG2 4.3Å; Y302-I306 HydrophobicContact CE2-CG2 3.35Å; Y302-I306 WeakPolarHBondContact O-CG1 3.32Å; Y302-I306 PolarHBondContact O-N 3Å; Y302-G332 VanDerWaalsContact OH-CA 3.24Å; Y302-G332 WeakPolarHBondContact OH-CA 3.42Å
303F98.6Very high96.6Very high2 Ų224.9 Ų24.91%0.00914%0.141CC..Hα-helixtrans-58.6-39175.9-177.2-122000111.9L194 A197 I205 F207 I298 D299 R300 D301 T308 Y309 I323L194-F303 HydrophobicContact CD2-CZ 4.43Å; A197-F303 HydrophobicContact CB-CD1 4.2Å; A197-F303 HydrophobicContact CB-CE1 3.71Å; I205-F303 HydrophobicContact CD1-CD1 3.96Å; F207-F303 HydrophobicContact CZ-CE1 4.36Å; F207-F303 HydrophobicContact CZ-CZ 4.43Å; I298-F303 HydrophobicContact CD1-CB 3.89Å; I298-F303 HydrophobicContact CD1-CD2 3.92Å; I298-F303 HydrophobicContact CD1-CG 4.35Å; I298-F303 HydrophobicContact CG1-CB 4.13Å; I298-F303 HydrophobicContact CG2-CB 4Å; I298-F303 HydrophobicContact CG2-CD2 4.33Å; I298-F303 HydrophobicContact CG2-CG 4.22Å; D299-F303 PolarHBondContact O-N 2.89Å; R300-F303 WeakPolarHBondContact O-CB 3.32Å; R300-F303 PolarHBondContact O-N 3.46Å; D301-F303 PolarHBondContact O-N 3.01Å; F303-T308 HydrophobicContact CD1-CG2 3.84Å; F303-T308 HydrophobicContact CE1-CG2 3.74Å; F303-T308 HydrophobicContact CG-CG2 4.43Å; F303-T308 HydrophobicContact CZ-CG2 4.26Å; F303-T308 VanDerWaalsContact O-CA 3.28Å; F303-T308 WeakPolarHBondContact O-CA 3.17Å; F303-T308 PolarHBondContact O-N 3.23Å; F303-Y309 HydrophobicContact CE2-CD2 4.31Å; F303-Y309 HydrophobicContact CE2-CE2 4.42Å; F303-Y309 AromaticContact CZ-CD2 3.85Å; F303-Y309 HydrophobicContact CZ-CD2 3.85Å; F303-Y309 HydrophobicContact CZ-CE2 4.18Å; F303-I323 HydrophobicContact CD2-CD1 4.34Å; F303-I323 HydrophobicContact CE2-CD1 3.86Å
304Q97.9Very high96.8Very high111 Ų11126.4 Ų26.452%0.51915%0.149SC..Hα-helixtrans-71-43.6174.9-66.4179.65.900112.4R300 D301 Y302 I306 G307 T308R300-Q304 PolarHBondContact O-N 2.96Å; D301-Q304 PolarHBondContact O-N 3.48Å; Y302-Q304 VanDerWaalsContact C-N 3.26Å; Y302-Q304 PolarHBondContact O-N 3.44Å; Q304-I306 VanDerWaalsContact C-N 3.31Å; Q304-I306 PolarHBondContact O-N 2.73Å; Q304-G307 WeakPolarHBondContact O-CA 3.46Å; Q304-G307 PolarHBondContact O-N 3.31Å; Q304-T308 HydrophobicContact CG-CG2 4.44Å
305E97.9Very high96.7Very high90 Ų9027 Ų2742%0.42115%0.149SC..Hα-helixtrans-57.2-42.4178.3-75.6173.7-177.200112.1R230 D301 Y302 G307R230-E305 IonicContact CZ-OE1 3.84Å; R230-E305 IonicContact CZ-OE2 3.94Å; R230-E305 VanDerWaalsContact CZ-OE2 3.23Å; R230-E305 IonicContact NH1-OE1 2.79Å; R230-E305 PolarHBondContact NH1-OE1 3.35Å; R230-E305 IonicContact NH1-OE2 3.08Å; R230-E305 PolarHBondContact NH1-OE2 3.45Å; R230-E305 VanDerWaalsContact NH2-CD 3.33Å; R230-E305 IonicContact NH2-OE1 3.8Å; R230-E305 PolarHBondContact NH2-OE1 3.47Å; R230-E305 IonicContact NH2-OE2 3.46Å; R230-E305 PolarHBondContact NH2-OE2 3.16Å; D301-E305 VanDerWaalsContact O-CG 3.28Å; D301-E305 WeakPolarHBondContact O-CG 3.48Å; D301-E305 PolarHBondContact O-N 3.02Å; Y302-E305 PolarHBondContact O-N 2.96Å; E305-G307 PolarHBondContact O-N 3.19Å
306I97.9Very high96.3Very high4 Ų432.7 Ų32.72%0.02117%0.171CC..THydrogen-bonded Turntrans-82.212.4176.472.2179.8000113I298 Y302 Q304 R326 I327 L402I298-I306 HydrophobicContact CD1-CD1 4.1Å; Y302-I306 HydrophobicContact CD1-CD1 4.47Å; Y302-I306 HydrophobicContact CD2-CG2 3.92Å; Y302-I306 HydrophobicContact CE1-CD1 4.04Å; Y302-I306 HydrophobicContact CE1-CG2 4.3Å; Y302-I306 HydrophobicContact CE2-CG2 3.35Å; Y302-I306 WeakPolarHBondContact O-CG1 3.32Å; Y302-I306 PolarHBondContact O-N 3Å; Q304-I306 VanDerWaalsContact C-N 3.31Å; Q304-I306 PolarHBondContact O-N 2.73Å; I306-R326 WeakPolarHBondContact O-CD 3.36Å; I306-R326 PolarHBondContact O-NE 3.16Å; I306-I327 HydrophobicContact CD1-CG1 3.99Å; I306-L402 WeakPolarHBondContact O-CD2 3.3Å
307G97.5Very high95.9Very high13 Ų1332.8 Ų32.813%0.13417%0.172CC..THydrogen-bonded Turntrans78.323.4171.300000115.5Q304 E305 R399Q304-G307 WeakPolarHBondContact O-CA 3.46Å; Q304-G307 PolarHBondContact O-N 3.31Å; E305-G307 PolarHBondContact O-N 3.19Å; G307-R399 PolarHBondContact O-NH1 3.34Å
308T97.3Very high95.6Very high39 Ų3933 Ų3324%0.23917%0.174CC..  trans55.4-131.9175.166.80000113L194 F303 Q304 R326L194-T308 VanDerWaalsContact CD2-CB 3.5Å; L194-T308 HydrophobicContact CD2-CG2 4.4Å; L194-T308 WeakPolarHBondContact CD2-OG1 3.37Å; F303-T308 HydrophobicContact CD1-CG2 3.84Å; F303-T308 HydrophobicContact CE1-CG2 3.74Å; F303-T308 HydrophobicContact CG-CG2 4.43Å; F303-T308 HydrophobicContact CZ-CG2 4.26Å; F303-T308 VanDerWaalsContact O-CA 3.28Å; F303-T308 WeakPolarHBondContact O-CA 3.17Å; F303-T308 PolarHBondContact O-N 3.23Å; Q304-T308 HydrophobicContact CG-CG2 4.44Å; T308-R326 VanDerWaalsContact O-CZ 3.26Å; T308-R326 PolarHBondContact O-NH2 3.31Å
309Y97.4Very high95.5Very high1 Ų133.1 Ų33.10%0.00418%0.175CC..SBendtrans-97.2159.5166.6-81.9-66.7000111.2I190 R193 L194 F296 F303 A311 E319 I323I190-Y309 HydrophobicContact CG2-CG 4.03Å; R193-Y309 HydrophobicContact CB-CD2 4.47Å; R193-Y309 HydrophobicContact CB-CE2 4.32Å; R193-Y309 PolarHBondContact NH1-OH 2.87Å; L194-Y309 HydrophobicContact CD2-CD2 4.48Å; F296-Y309 VanDerWaalsContact CE1-OH 3.31Å; F296-Y309 WeakPolarHBondContact CE1-OH 3.42Å; F296-Y309 HydrophobicContact CZ-CE2 4.38Å; F296-Y309 WeakPolarHBondContact CZ-OH 3.42Å; F303-Y309 HydrophobicContact CE2-CD2 4.31Å; F303-Y309 HydrophobicContact CE2-CE2 4.42Å; F303-Y309 AromaticContact CZ-CD2 3.85Å; F303-Y309 HydrophobicContact CZ-CD2 3.85Å; F303-Y309 HydrophobicContact CZ-CE2 4.18Å; Y309-A311 PolarHBondContact O-N 2.68Å; Y309-A311 VanDerWaalsContact O-N 3.14Å; Y309-E319 HydrophobicContact CD1-CB 4.07Å; Y309-E319 HydrophobicContact CD1-CG 4.46Å; Y309-E319 HydrophobicContact CE1-CB 3.92Å; Y309-E319 HydrophobicContact CE1-CG 3.91Å; Y309-I323 HydrophobicContact CD1-CB 4.46Å; Y309-I323 HydrophobicContact CD1-CD1 4.42Å; Y309-I323 HydrophobicContact CE1-CB 3.99Å; Y309-I323 HydrophobicContact CE1-CD1 3.94Å; Y309-I323 HydrophobicContact CE1-CG2 3.99Å
310D97.3Very high95.4Very high4 Ų432.6 Ų32.62%0.02117%0.172CC..  trans-69.7103.3166.2-177.810000110.9G312 M313 R368 R399D310-G312 PolarHBondContact O-N 3.27Å; D310-G312 VanDerWaalsContact O-N 3.1Å; D310-G312 PolarHBondContact OD1-N 3.46Å; D310-M313 HydrophobicContact CB-CG 4.09Å; D310-M313 HydrophobicContact CB-SD 4.32Å; D310-M313 WeakPolarHBondContact O-CB 3.35Å; D310-M313 PolarHBondContact O-N 2.86Å; D310-R368 IonicContact OD1-CZ 2.68Å; D310-R368 IonicContact OD1-NE 3.24Å; D310-R368 IonicContact OD1-NH2 2.77Å; D310-R368 PolarHBondContact OD1-NH2 2.99Å; D310-R368 IonicContact OD2-CZ 3.97Å; D310-R368 VanDerWaalsContact OD2-CZ 3.27Å; D310-R368 IonicContact OD2-NE 2.67Å; D310-R368 PolarHBondContact OD2-NE 2.99Å; D310-R368 IonicContact OD2-NH2 2.77Å; D310-R368 PolarHBondContact OD2-NH2 2.92Å; D310-R399 HydrophobicContact CB-CG 4.4Å
311A94.1Very high95.4Very high51 Ų5129.9 Ų29.942%0.42116%0.162SC..THydrogen-bonded Turntrans-64.5-12178.800000114.2R191 L194 Y309 M313R191-A311 PolarHBondContact NE-O 2.82Å; R191-A311 VanDerWaalsContact NE-O 3.1Å; R191-A311 PolarHBondContact NH2-O 3.09Å; L194-A311 HydrophobicContact CD1-CB 3.96Å; Y309-A311 PolarHBondContact O-N 2.68Å; Y309-A311 VanDerWaalsContact O-N 3.14Å; A311-M313 VanDerWaalsContact C-N 3.32Å
312G94.6Very high95.4Very high22 Ų2226.2 Ų26.223%0.22714%0.142CC..THydrogen-bonded Turntrans-80.5-8.9173.300000114.3D310D310-G312 PolarHBondContact O-N 3.27Å; D310-G312 VanDerWaalsContact O-N 3.1Å; D310-G312 PolarHBondContact OD1-N 3.46Å
313M94.8Very high95.4Very high0 Ų026 Ų260%014%0.141CC..SBendtrans-78.1144.4170.8-68.3-176.8165.400111.5I190 R191 D310 A311 E319 E322 N365 L369I190-M313 HydrophobicContact CD1-CB 3.31Å; I190-M313 HydrophobicContact CD1-CG 4.34Å; I190-M313 HydrophobicContact CD1-SD 4.16Å; R191-M313 PolarHBondContact NH2-O 3.48Å; D310-M313 HydrophobicContact CB-CG 4.09Å; D310-M313 HydrophobicContact CB-SD 4.32Å; D310-M313 WeakPolarHBondContact O-CB 3.35Å; D310-M313 PolarHBondContact O-N 2.86Å; A311-M313 VanDerWaalsContact C-N 3.32Å; M313-E319 HydrophobicContact SD-CB 3.91Å; M313-E322 HydrophobicContact CE-CB 3.7Å; M313-E322 HydrophobicContact CE-CG 3.68Å; M313-N365 VanDerWaalsContact CA-OD1 3.28Å; M313-N365 WeakPolarHBondContact CA-OD1 3.37Å; M313-N365 HydrophobicContact CB-CB 4.45Å; M313-N365 HydrophobicContact CE-CB 4.37Å; M313-N365 WeakPolarHBondContact CE-O 3.41Å; M313-N365 HydrophobicContact CG-CB 4.11Å; M313-N365 HydrophobicContact SD-CB 4.38Å; M313-L369 HydrophobicContact CE-CB 3.91Å
314D90.4Very high95.4Very high33 Ų3325.9 Ų25.918%0.17614%0.141CC..  trans-111.4142.1-174.6-66.3-43000112.2R191 W316 I361 K364 N365R191-D314 IonicContact CZ-OD1 2.83Å; R191-D314 VanDerWaalsContact CZ-OD1 3.24Å; R191-D314 IonicContact NH1-OD1 3.44Å; R191-D314 PolarHBondContact NH1-OD1 3.1Å; R191-D314 IonicContact NH2-OD1 2.94Å; R191-D314 PolarHBondContact NH2-OD1 3.22Å; D314-W316 VanDerWaalsContact C-N 3.33Å; D314-W316 PolarHBondContact O-N 2.97Å; D314-I361 HydrophobicContact CB-CG2 4.24Å; D314-I361 WeakPolarHBondContact O-CG2 3.39Å; D314-K364 WeakPolarHBondContact OD2-CD 3.2Å; D314-K364 WeakPolarHBondContact OD2-CE 3.47Å; D314-K364 IonicContact OD2-NZ 2.67Å; D314-K364 PolarHBondContact OD2-NZ 3Å; D314-N365 PolarHBondContact N-OD1 2.63Å; D314-N365 PolarHBondContact O-ND2 3.43Å
315I86.8Confident95.4Very high22 Ų2220.6 Ų20.611%0.11312%0.116CC..BIsolated β-bridgetrans54.1-79.7170.9-50.2-56000114.9L189 F354 I361L189-I315 WeakPolarHBondContact CB-O 3.47Å; L189-I315 PolarHBondContact N-O 2.84Å; I315-F354 HydrophobicContact CG2-CD1 3.95Å; I315-F354 HydrophobicContact CG2-CE1 3.8Å; I315-I361 HydrophobicContact CB-CD1 4.28Å; I315-I361 HydrophobicContact CB-CG2 4.25Å; I315-I361 HydrophobicContact CG1-CD1 3.9Å
316W89.6Confident95.4Very high123 Ų12316.3 Ų16.347%0.46610%0.096SC..SBendtrans-161.5147.1-172.7-179.186.9000111.3D314 F354 I362D314-W316 VanDerWaalsContact C-N 3.33Å; D314-W316 PolarHBondContact O-N 2.97Å; W316-F354 HydrophobicContact CB-CE1 4.27Å; W316-I362 HydrophobicContact CE3-CD1 4.14Å; W316-I362 HydrophobicContact CE3-CG1 4.43Å; W316-I362 HydrophobicContact CZ3-CD1 3.79Å; W316-I362 HydrophobicContact CZ3-CG1 4.47Å
317G89.5Confident95.5Very high3 Ų316.1 Ų16.13%0.03110%0.095CC..SBendtrans108.8133.616900000112.4E319 N365G317-E319 VanDerWaalsContact C-N 3.25Å; G317-E319 VanDerWaalsContact CA-OE2 3.29Å; G317-E319 WeakPolarHBondContact CA-OE2 3.48Å; G317-E319 PolarHBondContact N-OE2 2.66Å; G317-E319 PolarHBondContact O-N 2.9Å; G317-N365 WeakPolarHBondContact O-CB 3.47Å; G317-N365 PolarHBondContact O-ND2 2.93Å
318G93.1Very high95.5Very high5 Ų516.6 Ų16.65%0.0529%0.093CC..SBendtrans84.3-20.1176.200000114.7N320 L321 E322 N366 L369G318-N320 VanDerWaalsContact C-N 3.27Å; G318-N320 PolarHBondContact O-N 2.71Å; G318-L321 PolarHBondContact O-N 2.55Å; G318-E322 WeakPolarHBondContact O-CB 3.32Å; G318-E322 PolarHBondContact O-N 2.94Å; G318-N366 WeakPolarHBondContact CA-OD1 3.42Å; G318-L369 WeakPolarHBondContact O-CD2 3.31Å
319E95.9Very high95.6Very high4 Ų414.8 Ų14.82%0.0198%0.082CC..Hα-helixtrans-64.1-33.4-177.479.2-71.2172.200112.7I190 Y309 M313 G317 E322 I323I190-E319 HydrophobicContact CD1-CB 3.71Å; I190-E319 HydrophobicContact CD1-CG 4.22Å; I190-E319 HydrophobicContact CG1-CB 3.93Å; I190-E319 HydrophobicContact CG1-CG 3.97Å; Y309-E319 HydrophobicContact CD1-CB 4.07Å; Y309-E319 HydrophobicContact CD1-CG 4.46Å; Y309-E319 HydrophobicContact CE1-CB 3.92Å; Y309-E319 HydrophobicContact CE1-CG 3.91Å; M313-E319 HydrophobicContact SD-CB 3.91Å; G317-E319 VanDerWaalsContact C-N 3.25Å; G317-E319 VanDerWaalsContact CA-OE2 3.29Å; G317-E319 WeakPolarHBondContact CA-OE2 3.48Å; G317-E319 PolarHBondContact N-OE2 2.66Å; G317-E319 PolarHBondContact O-N 2.9Å; E319-E322 PolarHBondContact O-N 2.76Å; E319-I323 VanDerWaalsContact O-CG2 3.3Å; E319-I323 WeakPolarHBondContact O-CG2 3.43Å; E319-I323 PolarHBondContact O-N 3.12Å
320N97.1Very high95.7Very high15 Ų1515.8 Ų15.88%0.089%0.088CC..Hα-helixtrans-68-39.117967.9-54.9000111.5M291 G318 I323 S324M291-N320 HydrophobicContact CG-CB 4.46Å; M291-N320 PolarHBondContact O-ND2 2.83Å; G318-N320 VanDerWaalsContact C-N 3.27Å; G318-N320 PolarHBondContact O-N 2.71Å; N320-I323 WeakPolarHBondContact O-CG2 3.33Å; N320-S324 WeakPolarHBondContact O-CB 3.39Å; N320-S324 PolarHBondContact O-N 3.34Å; N320-S324 PolarHBondContact O-OG 3.21Å
321L98.1Very high95.7Very high1 Ų117.6 Ų17.61%0.00511%0.109CC..Hα-helixtrans-71.8-43.7174.4-61.8-174.6000111.1F259 L263 T290 G318 I323 S324 F325 L369F259-L321 HydrophobicContact CB-CD1 4.2Å; F259-L321 HydrophobicContact CB-CD2 3.98Å; F259-L321 HydrophobicContact CG-CD2 4.43Å; L263-L321 HydrophobicContact CB-CD1 3.93Å; L263-L321 WeakPolarHBondContact O-CD1 3.16Å; T290-L321 HydrophobicContact CG2-CD2 3.65Å; G318-L321 PolarHBondContact O-N 2.55Å; L321-I323 PolarHBondContact O-N 3.14Å; L321-S324 WeakPolarHBondContact O-CB 3.47Å; L321-S324 PolarHBondContact O-N 3.49Å; L321-F325 HydrophobicContact CB-CE2 4.45Å; L321-F325 HydrophobicContact CB-CZ 4.27Å; L321-F325 WeakPolarHBondContact O-CB 3.39Å; L321-F325 WeakPolarHBondContact O-CD1 3.38Å; L321-F325 WeakPolarHBondContact O-CG 3.13Å; L321-F325 PolarHBondContact O-N 3.03Å; L321-L369 HydrophobicContact CB-CD2 4.29Å
322E98.5Very high95.9Very high2 Ų215.4 Ų15.41%0.0099%0.09CC..Hα-helixtrans-56.5-50.8179.1-168.4-84157.800112.1M313 G318 E319 S324 F325 R326 L369 W373M313-E322 HydrophobicContact CE-CB 3.7Å; M313-E322 HydrophobicContact CE-CG 3.68Å; G318-E322 WeakPolarHBondContact O-CB 3.32Å; G318-E322 PolarHBondContact O-N 2.94Å; E319-E322 PolarHBondContact O-N 2.76Å; E322-S324 PolarHBondContact O-N 3.19Å; E322-F325 PolarHBondContact O-N 3.47Å; E322-R326 WeakPolarHBondContact O-CB 3.17Å; E322-R326 PolarHBondContact O-N 3.43Å; E322-R326 IonicContact OE1-CZ 3.79Å; E322-R326 IonicContact OE1-NH1 3.09Å; E322-R326 PolarHBondContact OE1-NH1 3.02Å; E322-R326 IonicContact OE1-NH2 2.89Å; E322-R326 IonicContact OE2-CZ 2.95Å; E322-R326 VanDerWaalsContact OE2-CZ 3.31Å; E322-R326 IonicContact OE2-NH1 2.72Å; E322-R326 PolarHBondContact OE2-NH1 3.08Å; E322-R326 IonicContact OE2-NH2 3.55Å; E322-R326 PolarHBondContact OE2-NH2 3.43Å; E322-L369 HydrophobicContact CB-CB 3.89Å; E322-L369 HydrophobicContact CG-CB 3.94Å; E322-W373 PolarHBondContact OE1-NE1 3.26Å
323I98.4Very high96.1Very high0 Ų015.6 Ų15.60%09%0.088CC..Hα-helixtrans-68.6-35.4178.8-163.3173.1000111.6M291 F303 Y309 E319 N320 L321 R326 I327M291-I323 HydrophobicContact CE-CG2 3.75Å; M291-I323 HydrophobicContact SD-CG2 4.11Å; F303-I323 HydrophobicContact CD2-CD1 4.34Å; F303-I323 HydrophobicContact CE2-CD1 3.86Å; Y309-I323 HydrophobicContact CD1-CB 4.46Å; Y309-I323 HydrophobicContact CD1-CD1 4.42Å; Y309-I323 HydrophobicContact CE1-CB 3.99Å; Y309-I323 HydrophobicContact CE1-CD1 3.94Å; Y309-I323 HydrophobicContact CE1-CG2 3.99Å; E319-I323 VanDerWaalsContact O-CG2 3.3Å; E319-I323 WeakPolarHBondContact O-CG2 3.43Å; E319-I323 PolarHBondContact O-N 3.12Å; N320-I323 WeakPolarHBondContact O-CG2 3.33Å; L321-I323 PolarHBondContact O-N 3.14Å; I323-R326 PolarHBondContact O-N 3.34Å; I323-I327 HydrophobicContact CG1-CD1 3.9Å; I323-I327 HydrophobicContact CG1-CG1 4.25Å; I323-I327 WeakPolarHBondContact O-CB 3.43Å; I323-I327 WeakPolarHBondContact O-CD1 3.43Å; I323-I327 WeakPolarHBondContact O-CG1 3.48Å; I323-I327 PolarHBondContact O-N 3.01Å
324S98.8Very high96.3Very high0 Ų015.6 Ų15.60%09%0.088CC..Hα-helixtrans-61.2-47.4175.8-61.40000111.6T290 M291 N320 L321 E322 R326 I327 W328T290-S324 WeakPolarHBondContact CA-OG 3.47Å; M291-S324 PolarHBondContact N-OG 3.02Å; M291-S324 VanDerWaalsContact N-OG 3.11Å; N320-S324 WeakPolarHBondContact O-CB 3.39Å; N320-S324 PolarHBondContact O-N 3.34Å; N320-S324 PolarHBondContact O-OG 3.21Å; L321-S324 WeakPolarHBondContact O-CB 3.47Å; L321-S324 PolarHBondContact O-N 3.49Å; E322-S324 PolarHBondContact O-N 3.19Å; S324-R326 VanDerWaalsContact C-N 3.34Å; S324-R326 PolarHBondContact O-N 3.46Å; S324-I327 PolarHBondContact O-N 3.03Å; S324-W328 PolarHBondContact O-N 2.79Å
325F98.7Very high96.7Very high0 Ų014.8 Ų14.80%08%0.082CC..Hα-helixtrans-61.6-44.9177.4-67.5-5.5000110.9F259 T290 L321 E322 Q329 L369 W373 M374 F411 Y414F259-F325 HydrophobicContact CD1-CE1 4.02Å; F259-F325 HydrophobicContact CD1-CZ 4.14Å; F259-F325 HydrophobicContact CD2-CZ 4.39Å; F259-F325 AromaticContact CE1-CE1 3.55Å; F259-F325 HydrophobicContact CE1-CE1 3.55Å; F259-F325 AromaticContact CE1-CZ 3.74Å; F259-F325 HydrophobicContact CE1-CZ 3.74Å; F259-F325 AromaticContact CE2-CZ 3.98Å; F259-F325 HydrophobicContact CE2-CZ 3.98Å; F259-F325 HydrophobicContact CG-CZ 4.46Å; F259-F325 AromaticContact CZ-CE1 3.9Å; F259-F325 HydrophobicContact CZ-CE1 3.9Å; F259-F325 AromaticContact CZ-CZ 3.67Å; F259-F325 HydrophobicContact CZ-CZ 3.67Å; T290-F325 HydrophobicContact CG2-CE1 4.04Å; L321-F325 HydrophobicContact CB-CE2 4.45Å; L321-F325 HydrophobicContact CB-CZ 4.27Å; L321-F325 WeakPolarHBondContact O-CB 3.39Å; L321-F325 WeakPolarHBondContact O-CD1 3.38Å; L321-F325 WeakPolarHBondContact O-CG 3.13Å; L321-F325 PolarHBondContact O-N 3.03Å; E322-F325 PolarHBondContact O-N 3.47Å; F325-Q329 VanDerWaalsContact O-CB 3.23Å; F325-Q329 WeakPolarHBondContact O-CB 3.33Å; F325-Q329 VanDerWaalsContact O-CG 3.27Å; F325-Q329 WeakPolarHBondContact O-CG 3.04Å; F325-Q329 PolarHBondContact O-N 3.49Å; F325-Q329 PolarHBondContact O-NE2 3.43Å; F325-L369 HydrophobicContact CD2-CD1 3.97Å; F325-L369 HydrophobicContact CE2-CD1 3.59Å; F325-W373 HydrophobicContact CB-CB 4.13Å; F325-W373 HydrophobicContact CB-CG 4.34Å; F325-W373 HydrophobicContact CD2-CB 4.04Å; F325-M374 HydrophobicContact CE2-CG 4.17Å; F325-M374 HydrophobicContact CE2-SD 4.47Å; F325-F411 HydrophobicContact CD1-CE2 4.22Å; F325-F411 AromaticContact CD2-CE2 3.93Å; F325-F411 HydrophobicContact CD2-CE2 3.93Å; F325-F411 HydrophobicContact CE1-CE2 4.16Å; F325-F411 AromaticContact CE2-CE2 3.85Å; F325-F411 HydrophobicContact CE2-CE2 3.85Å; F325-F411 HydrophobicContact CE2-CZ 4.22Å; F325-F411 HydrophobicContact CG-CE2 4.13Å; F325-F411 AromaticContact CZ-CE2 3.97Å; F325-F411 HydrophobicContact CZ-CE2 3.97Å; F325-F411 HydrophobicContact CZ-CZ 4.13Å; F325-Y414 HydrophobicContact CD1-CE1 4.09Å; F325-Y414 HydrophobicContact CD1-CE2 4.17Å; F325-Y414 AromaticContact CD1-CZ 3.75Å; F325-Y414 AromaticContact CE1-CE1 3.99Å; F325-Y414 HydrophobicContact CE1-CE1 3.99Å; F325-Y414 AromaticContact CE1-CZ 3.89Å
326R98.6Very high97.3Very high0 Ų014.2 Ų14.20%08%0.08CC..Hα-helixtrans-60.8-50.1176.6176.2163.260.4-124.5-17112.3I306 T308 E322 I323 S324 W328 Q329 C330 W373I306-R326 WeakPolarHBondContact O-CD 3.36Å; I306-R326 PolarHBondContact O-NE 3.16Å; T308-R326 VanDerWaalsContact O-CZ 3.26Å; T308-R326 PolarHBondContact O-NH2 3.31Å; E322-R326 WeakPolarHBondContact O-CB 3.17Å; E322-R326 PolarHBondContact O-N 3.43Å; E322-R326 IonicContact OE1-CZ 3.79Å; E322-R326 IonicContact OE1-NH1 3.09Å; E322-R326 PolarHBondContact OE1-NH1 3.02Å; E322-R326 IonicContact OE1-NH2 2.89Å; E322-R326 IonicContact OE2-CZ 2.95Å; E322-R326 VanDerWaalsContact OE2-CZ 3.31Å; E322-R326 IonicContact OE2-NH1 2.72Å; E322-R326 PolarHBondContact OE2-NH1 3.08Å; E322-R326 IonicContact OE2-NH2 3.55Å; E322-R326 PolarHBondContact OE2-NH2 3.43Å; I323-R326 PolarHBondContact O-N 3.34Å; S324-R326 VanDerWaalsContact C-N 3.34Å; S324-R326 PolarHBondContact O-N 3.46Å; R326-W328 VanDerWaalsContact C-N 3.31Å; R326-W328 PolarHBondContact O-N 3.26Å; R326-Q329 PolarHBondContact O-N 3.16Å; R326-C330 WeakPolarHBondContact O-CB 3.49Å; R326-C330 PolarHBondContact O-N 3.4Å; R326-C330 PolarHBondContact O-SG 3.11Å; R326-W373 HydrophobicContact CB-CH2 3.68Å; R326-W373 HydrophobicContact CB-CZ2 3.65Å; R326-W373 HydrophobicContact CB-CZ3 4.11Å; R326-W373 HydrophobicContact CG-CH2 3.54Å; R326-W373 HydrophobicContact CG-CZ2 3.78Å; R326-W373 HydrophobicContact CG-CZ3 4.27Å
327I98.8Very high97.7Very high0 Ų08.6 Ų8.60%06%0.059CC..Hα-helixtrans-53.6-52.3-178.9-72.4158.1000109.7V233 M291 I306 I323 S324 G331 G332 L334V233-I327 HydrophobicContact CB-CD1 3.9Å; V233-I327 HydrophobicContact CG1-CD1 4.02Å; V233-I327 HydrophobicContact CG2-CD1 3.55Å; V233-I327 HydrophobicContact CG2-CG1 3.89Å; V233-I327 HydrophobicContact CG2-CG2 4.1Å; M291-I327 HydrophobicContact CE-CD1 3.65Å; I306-I327 HydrophobicContact CD1-CG1 3.99Å; I323-I327 HydrophobicContact CG1-CD1 3.9Å; I323-I327 HydrophobicContact CG1-CG1 4.25Å; I323-I327 WeakPolarHBondContact O-CB 3.43Å; I323-I327 WeakPolarHBondContact O-CD1 3.43Å; I323-I327 WeakPolarHBondContact O-CG1 3.48Å; I323-I327 PolarHBondContact O-N 3.01Å; S324-I327 PolarHBondContact O-N 3.03Å; I327-G331 PolarHBondContact O-N 3.12Å; I327-G332 CarbonylContact O-C 3.5Å; I327-G332 VanDerWaalsContact O-CA 3.29Å; I327-G332 WeakPolarHBondContact O-CA 3.4Å; I327-G332 PolarHBondContact O-N 2.77Å; I327-L334 HydrophobicContact CG2-CB 4.32Å
328W98.8Very high98.1Very high24 Ų248.5 Ų8.59%0.0916%0.058CC..Hα-helixtrans-68.4-49.8-178-80.6116.5000113.4R287 T288 P289 S324 R326 C330 G331 T333 L334 W413 Y414 V418R287-W328 HydrophobicContact CB-CH2 4.28Å; R287-W328 HydrophobicContact CB-CZ2 4.36Å; R287-W328 HydrophobicContact CG-CH2 4.36Å; T288-W328 PolarHBondContact O-NE1 3.42Å; P289-W328 PolarHBondContact O-NE1 2.75Å; S324-W328 PolarHBondContact O-N 2.79Å; R326-W328 VanDerWaalsContact C-N 3.31Å; R326-W328 PolarHBondContact O-N 3.26Å; W328-C330 PolarHBondContact O-N 3.04Å; W328-G331 PolarHBondContact O-N 3.26Å; W328-T333 HydrophobicContact CH2-CG2 3.64Å; W328-T333 HydrophobicContact CZ2-CG2 4.28Å; W328-T333 HydrophobicContact CZ3-CG2 4.09Å; W328-L334 HydrophobicContact CZ2-CB 4.25Å; W328-L334 WeakPolarHBondContact CZ2-O 3.45Å; W328-W413 WeakPolarHBondContact O-CZ3 3.36Å; W328-Y414 HydrophobicContact CB-CD2 3.73Å; W328-Y414 HydrophobicContact CB-CE2 3.86Å; W328-Y414 AromaticContact CD1-CE2 3.77Å; W328-Y414 HydrophobicContact CG-CD2 4.27Å; W328-Y414 AromaticContact CG-CE2 3.98Å; W328-Y414 HydrophobicContact CG-CE2 3.98Å; W328-V418 HydrophobicContact CB-CG1 4.49Å; W328-V418 HydrophobicContact CB-CG2 4.08Å; W328-V418 HydrophobicContact CD2-CB 4.28Å; W328-V418 HydrophobicContact CD2-CG1 3.53Å; W328-V418 HydrophobicContact CD2-CG2 3.71Å; W328-V418 VanDerWaalsContact CE2-CG1 3.44Å; W328-V418 HydrophobicContact CE3-CG1 4.16Å; W328-V418 HydrophobicContact CE3-CG2 3.62Å; W328-V418 HydrophobicContact CG-CB 4.42Å; W328-V418 HydrophobicContact CG-CG1 3.69Å; W328-V418 HydrophobicContact CG-CG2 3.95Å; W328-V418 HydrophobicContact CZ2-CG1 3.99Å; W328-V418 HydrophobicContact CZ3-CG2 4.26Å
329Q98.8Very high98.3Very high1 Ų18.3 Ų8.31%0.0056%0.056CC..Hα-helixtrans-65.6-30-176.8-71.8178.265.500111.8F325 R326 W373 R403 C408 K409F325-Q329 VanDerWaalsContact O-CB 3.23Å; F325-Q329 WeakPolarHBondContact O-CB 3.33Å; F325-Q329 VanDerWaalsContact O-CG 3.27Å; F325-Q329 WeakPolarHBondContact O-CG 3.04Å; F325-Q329 PolarHBondContact O-N 3.49Å; F325-Q329 PolarHBondContact O-NE2 3.43Å; R326-Q329 PolarHBondContact O-N 3.16Å; Q329-W373 HydrophobicContact CB-CZ3 4.48Å; Q329-W373 PolarHBondContact NE2-O 3.47Å; Q329-W373 VanDerWaalsContact NE2-O 3.13Å; Q329-W373 PolarHBondContact OE1-O 3.37Å; Q329-R403 VanDerWaalsContact OE1-NH2 3.16Å; Q329-C408 HydrophobicContact CB-CB 4.12Å; Q329-C408 CarbonylContact O-C 3.59Å; Q329-C408 VanDerWaalsContact O-CA 3.27Å; Q329-C408 WeakPolarHBondContact O-CA 3.39Å; Q329-K409 PolarHBondContact O-N 3.21Å; Q329-K409 PolarHBondContact OE1-O 2.98Å
330C98.7Very high98.4Very high21 Ų218.1 Ų8.114%0.1426%0.055CC..THydrogen-bonded Turntrans-97.216.9-177.4-50.20000113.7R326 W328 L406 C408R326-C330 WeakPolarHBondContact O-CB 3.49Å; R326-C330 PolarHBondContact O-N 3.4Å; R326-C330 PolarHBondContact O-SG 3.11Å; W328-C330 PolarHBondContact O-N 3.04Å; C330-L406 HydrophobicContact CB-CB 4.34Å; C330-L406 HydrophobicContact CB-CD1 4.24Å; C330-C408 HydrophobicContact CB-CB 4.06Å; C330-C408 WeakPolarHBondContact CB-SG 3.5Å; C330-C408 WeakPolarHBondContact SG-CB 3.4Å; C330-C408 CovalentContact SG-SG 2.04Å; C330-C408 PolarHBondContact SG-SG 3.24Å
331G97.9Very high98.5Very high43 Ų437.8 Ų7.844%0.4435%0.053SC..THydrogen-bonded Turntrans90.813.3167.200000116.3I327 W328I327-G331 PolarHBondContact O-N 3.12Å; W328-G331 PolarHBondContact O-N 3.26Å
332G98.6Very high98.5Very high4 Ų47.7 Ų7.74%0.0415%0.052CC..  trans-90.1-175.616600000113R231 Y302 I327R231-G332 VanDerWaalsContact O-CA 3.31Å; R231-G332 WeakPolarHBondContact O-CA 3.41Å; Y302-G332 VanDerWaalsContact OH-CA 3.24Å; Y302-G332 WeakPolarHBondContact OH-CA 3.42Å; I327-G332 CarbonylContact O-C 3.5Å; I327-G332 VanDerWaalsContact O-CA 3.29Å; I327-G332 WeakPolarHBondContact O-CA 3.4Å; I327-G332 PolarHBondContact O-N 2.77Å
333T98.6Very high98.5Very high27 Ų277.6 Ų7.617%0.1665%0.052CC..EExtended strand (participates in β ladder)trans-132.8144.5176.8-61.30000109.2R231 T232 V233 R287 W328 E335R231-T333 PolarHBondContact O-N 3.2Å; R231-T333 VanDerWaalsContact O-N 3.11Å; T232-T333 WeakPolarHBondContact CA-O 3.13Å; V233-T333 PolarHBondContact N-O 3.42Å; R287-T333 HydrophobicContact CG-CG2 4.48Å; W328-T333 HydrophobicContact CH2-CG2 3.64Å; W328-T333 HydrophobicContact CZ2-CG2 4.28Å; W328-T333 HydrophobicContact CZ3-CG2 4.09Å; T333-E335 HydrophobicContact CG2-CG 3.68Å
334L98.8Very high98.5Very high0 Ų08.6 Ų8.60%06%0.057CC..EExtended strand (participates in β ladder)trans-119125.1174.9-179.659.6000110.3V233 T288 M291 I327 W328V233-L334 HydrophobicContact CB-CD1 3.9Å; V233-L334 HydrophobicContact CG1-CD1 3.88Å; V233-L334 WeakPolarHBondContact O-CA 3.35Å; T288-L334 HydrophobicContact CG2-CB 4.45Å; T288-L334 HydrophobicContact CG2-CD2 3.94Å; T288-L334 HydrophobicContact CG2-CG 3.62Å; T288-L334 PolarHBondContact N-O 3.33Å; M291-L334 HydrophobicContact CB-CD1 4.46Å; M291-L334 HydrophobicContact CB-CD2 4.06Å; M291-L334 HydrophobicContact CE-CD1 3.59Å; M291-L334 HydrophobicContact CE-CD2 3.89Å; M291-L334 HydrophobicContact CE-CG 4.38Å; M291-L334 HydrophobicContact CG-CD2 4.42Å; I327-L334 HydrophobicContact CG2-CB 4.32Å; W328-L334 HydrophobicContact CZ2-CB 4.25Å; W328-L334 WeakPolarHBondContact CZ2-O 3.45Å
335E98.7Very high98.5Very high15 Ų158.7 Ų8.77%0.076%0.057CC..EExtended strand (participates in β ladder)trans-133.1145.8-173.6-52.5-171.8149.100112.8R225 T232 V233 V234 C235 P285 V286 R287 T333R225-E335 WeakPolarHBondContact CD-OE2 3.38Å; R225-E335 VanDerWaalsContact CG-OE2 3.3Å; R225-E335 WeakPolarHBondContact CG-OE2 3.21Å; R225-E335 IonicContact NE-OE2 3.76Å; T232-E335 HydrophobicContact CG2-CG 3.89Å; V233-E335 PolarHBondContact O-N 2.74Å; V234-E335 CarbonylContact C-O 3.55Å; V234-E335 WeakPolarHBondContact CA-O 3.31Å; V234-E335 HydrophobicContact CG1-CB 4.47Å; C235-E335 PolarHBondContact N-O 2.96Å; P285-E335 HydrophobicContact CB-CB 3.97Å; V286-E335 CarbonylContact O-C 3.38Å; V286-E335 VanDerWaalsContact O-CA 3.24Å; V286-E335 WeakPolarHBondContact O-CA 3.29Å; R287-E335 HydrophobicContact CG-CG 4.41Å; T333-E335 HydrophobicContact CG2-CG 3.68Å
336I98.7Very high98Very high10 Ų1012.7 Ų12.75%0.0518%0.075CC..EExtended strand (participates in β ladder)trans-96.3116.4164.4-58.8169.7000107.3C235 I237 W267 P285 V286 T288 T338C235-I336 HydrophobicContact CB-CG1 4.42Å; C235-I336 CarbonylContact O-C 3.57Å; C235-I336 WeakPolarHBondContact O-CA 3.33Å; I237-I336 HydrophobicContact CG1-CG2 3.82Å; W267-I336 HydrophobicContact CZ3-CD1 3.98Å; P285-I336 CarbonylContact C-O 3.54Å; P285-I336 WeakPolarHBondContact CA-O 3.37Å; V286-I336 HydrophobicContact CB-CB 4.35Å; V286-I336 PolarHBondContact N-O 3.33Å; V286-I336 PolarHBondContact O-N 3.31Å; T288-I336 HydrophobicContact CG2-CD1 4.22Å; T288-I336 HydrophobicContact CG2-CG1 3.81Å; I336-T338 PolarHBondContact O-N 3.34Å
337V98.4Very high97.5Very high6 Ų615 Ų154%0.0368%0.083CC..EExtended strand (participates in β ladder)trans-86104.5-179.3179.90000109.2P221 L222 R225 V234 C235 P285 C339 S340P221-V337 HydrophobicContact CB-CG1 3.49Å; P221-V337 VanDerWaalsContact CB-CG1 3.49Å; L222-V337 HydrophobicContact CD2-CB 3.85Å; L222-V337 HydrophobicContact CD2-CG2 3.96Å; R225-V337 HydrophobicContact CB-CG2 4.45Å; V234-V337 HydrophobicContact CB-CG2 3.77Å; V234-V337 HydrophobicContact CG1-CG2 3.77Å; C235-V337 PolarHBondContact O-N 3Å; P285-V337 HydrophobicContact CB-CG2 4.36Å; P285-V337 HydrophobicContact CG-CG2 4.25Å; V337-C339 PolarHBondContact O-N 2.72Å; V337-C339 VanDerWaalsContact O-N 3.11Å; V337-S340 PolarHBondContact O-N 2.95Å
338T97.7Very high96.7Very high0 Ų023.5 Ų23.50%012%0.12CC..EExtended strand (participates in β ladder)trans-67.8-13.5-169.957.30000115.3I237 D253 R282 T283 L284 V286 I336 H341I237-T338 HydrophobicContact CD1-CG2 4.31Å; D253-T338 HydrophobicContact CB-CG2 4.09Å; R282-T338 WeakPolarHBondContact O-CB 3.44Å; R282-T338 PolarHBondContact O-OG1 3.45Å; T283-T338 VanDerWaalsContact C-OG1 3.23Å; T283-T338 WeakPolarHBondContact CA-OG1 3.33Å; T283-T338 PolarHBondContact O-OG1 2.98Å; L284-T338 PolarHBondContact O-OG1 2.67Å; V286-T338 HydrophobicContact CG2-CG2 3.99Å; I336-T338 PolarHBondContact O-N 3.34Å; T338-H341 PolarHBondContact O-NE2 2.88Å
339C98.1Very high95.7Very high2 Ų224.6 Ų24.61%0.01413%0.134CC..EExtended strand (participates in β ladder)trans-89.4-6.4173.4-620000113.8R102 C106 P221 V337R102-C339 WeakPolarHBondContact CD-O 3.07Å; C106-C339 HydrophobicContact CB-CB 3.56Å; C106-C339 WeakPolarHBondContact CB-SG 3.41Å; C106-C339 WeakPolarHBondContact SG-CA 3.48Å; C106-C339 WeakPolarHBondContact SG-CB 3.43Å; C106-C339 CovalentContact SG-SG 2.04Å; C106-C339 PolarHBondContact SG-SG 2.98Å; P221-C339 HydrophobicContact CB-CB 4.14Å; P221-C339 HydrophobicContact CG-CB 4.01Å; V337-C339 PolarHBondContact O-N 2.72Å; V337-C339 VanDerWaalsContact O-N 3.11Å
340S98.6Very high94.7Very high0 Ų028.3 Ų28.30%016%0.157CC..EExtended strand (participates in β ladder)trans-106.4125.4179179.10000109.8W218 L222 P236 I237 V337W218-S340 VanDerWaalsContact O-CB 3.23Å; W218-S340 WeakPolarHBondContact O-CB 3.47Å; W218-S340 PolarHBondContact O-OG 3.47Å; L222-S340 WeakPolarHBondContact CD1-OG 3.44Å; L222-S340 WeakPolarHBondContact CG-OG 3.4Å; P236-S340 WeakPolarHBondContact CA-O 3.47Å; P236-S340 WeakPolarHBondContact CB-OG 3.31Å; I237-S340 PolarHBondContact N-O 3.2Å; V337-S340 PolarHBondContact O-N 2.95Å
341H98.6Very high93.6Very high7 Ų729.2 Ų29.23%0.03216%0.163CC..EExtended strand (participates in β ladder)trans-128.5131-177.2-80.4-101.5000110.9V101 T215 I237 D239 T338V101-H341 HydrophobicContact CG2-CB 3.94Å; T215-H341 HydrophobicContact CG2-CB 3.97Å; T215-H341 PolarHBondContact N-O 2.92Å; T215-H341 WeakPolarHBondContact OG1-CB 3.3Å; T215-H341 PolarHBondContact OG1-O 3.36Å; I237-H341 WeakPolarHBondContact O-CA 3.37Å; D239-H341 VanDerWaalsContact CG-ND1 3.34Å; D239-H341 IonicContact OD1-CE1 3.57Å; D239-H341 IonicContact OD1-ND1 2.69Å; D239-H341 PolarHBondContact OD1-ND1 3.15Å; D239-H341 WeakPolarHBondContact OD2-CB 3.37Å; D239-H341 IonicContact OD2-CG 3.68Å; D239-H341 IonicContact OD2-ND1 3.16Å; D239-H341 PolarHBondContact OD2-ND1 2.93Å; T338-H341 PolarHBondContact O-NE2 2.88Å
342V98.8Very high92.7Very high0 Ų030.1 Ų30.10%015%0.153CC..EExtended strand (participates in β ladder)trans-136.6120.9174.6-175.10000109.1L208 C212 W218 P236 I237 I238 D239 L295L208-V342 HydrophobicContact CD2-CG1 4.24Å; C212-V342 HydrophobicContact CB-CG1 3.96Å; W218-V342 HydrophobicContact CD2-CG2 4.19Å; W218-V342 HydrophobicContact CE3-CG2 3.48Å; W218-V342 VanDerWaalsContact CE3-CG2 3.48Å; W218-V342 HydrophobicContact CZ3-CG2 4.08Å; P236-V342 HydrophobicContact CB-CB 4.32Å; P236-V342 HydrophobicContact CB-CG2 3.81Å; P236-V342 HydrophobicContact CG-CB 4.11Å; P236-V342 HydrophobicContact CG-CG2 3.81Å; I237-V342 PolarHBondContact O-N 3.36Å; I238-V342 WeakPolarHBondContact CA-O 3.35Å; D239-V342 PolarHBondContact N-O 3.35Å; L295-V342 HydrophobicContact CD2-CB 3.59Å; L295-V342 HydrophobicContact CD2-CG1 3.35Å; L295-V342 HydrophobicContact CD2-CG2 4.37Å
343G98.4Very high91.6Very high0 Ų034.6 Ų34.60%018%0.18CC..EExtended strand (participates in β ladder)trans-71.6143.217300000111.8C212 E213 D239 Y248C212-G343 CarbonylContact C-O 3.52Å; C212-G343 WeakPolarHBondContact CA-O 3.24Å; C212-G343 WeakPolarHBondContact CB-O 3.36Å; E213-G343 PolarHBondContact N-O 3.27Å; E213-G343 PolarHBondContact O-N 3.43Å; D239-G343 CarbonylContact O-C 3.52Å; D239-G343 WeakPolarHBondContact O-CA 3.42Å; Y248-G343 PolarHBondContact OH-N 3.11Å
344H98.4Very high90.6Very high21 Ų2134.7 Ų34.710%0.09718%0.178CC..EExtended strand (participates in β ladder)trans-135.1135.4178172.3-85.4000110.2D209 H211 I238 D239 I241 F346D209-H344 IonicContact OD2-CD2 2.92Å; D209-H344 IonicContact OD2-NE2 2.86Å; H211-H344 AromaticContact CD2-CD2 3.89Å; H211-H344 AromaticContact CD2-NE2 3.49Å; H211-H344 PolarHBondContact CD2-NE2 2.99Å; H211-H344 AromaticContact NE2-NE2 3.34Å; H211-H344 PolarHBondContact NE2-NE2 3.1Å; I238-H344 HydrophobicContact CG2-CB 3.61Å; D239-H344 PolarHBondContact O-N 3Å; I241-H344 PolarHBondContact N-O 2.75Å; H344-F346 HydrophobicContact CB-CE2 4.13Å; H344-F346 HydrophobicContact CB-CZ 4.45Å; H344-F346 AromaticContact ND1-CD1 3.69Å; H344-F346 AromaticContact ND1-CD2 3.71Å; H344-F346 AromaticContact ND1-CE1 3.73Å; H344-F346 AromaticContact ND1-CE2 3.75Å; H344-F346 AromaticContact ND1-CG 3.69Å; H344-F346 AromaticContact ND1-CZ 3.77Å; H344-F346 VanDerWaalsContact O-CD2 3.29Å; H344-F346 WeakPolarHBondContact O-CD2 3.27Å; H344-F346 PolarHBondContact O-N 2.89Å
345V97.6Very high89.3Confident2 Ų238.9 Ų38.91%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-77.1102.6175.8-175.60000110F84 H211 I241 D243 F246 R347F84-V345 HydrophobicContact CB-CG1 3.94Å; F84-V345 HydrophobicContact CD1-CG1 4.19Å; F84-V345 HydrophobicContact CG-CG1 4.18Å; H211-V345 HydrophobicContact CB-CB 4.21Å; H211-V345 HydrophobicContact CB-CG2 4.16Å; H211-V345 PolarHBondContact O-N 2.89Å; H211-V345 VanDerWaalsContact O-N 3.11Å; I241-V345 HydrophobicContact CB-CG2 3.89Å; I241-V345 HydrophobicContact CD1-CG2 4.35Å; I241-V345 HydrophobicContact CG2-CG2 3.79Å; I241-V345 WeakPolarHBondContact O-CA 3.5Å; D243-V345 HydrophobicContact CB-CG1 4.35Å; F246-V345 HydrophobicContact CE1-CG2 3.98Å; F246-V345 HydrophobicContact CZ-CG2 4.25Å; V345-R347 PolarHBondContact O-N 3.1Å
346F89.4Confident87.9Confident83 Ų8341 Ų4136%0.36423%0.231SC..  trans-81.8114179.8-74.5-84000111.8I238 V240 D243 H344I238-F346 HydrophobicContact CG2-CE2 3.96Å; I238-F346 HydrophobicContact CG2-CZ 3.66Å; V240-F346 HydrophobicContact CB-CD2 4.13Å; V240-F346 HydrophobicContact CB-CE2 4.35Å; V240-F346 HydrophobicContact CG1-CD2 3.79Å; V240-F346 HydrophobicContact CG1-CE2 4.49Å; V240-F346 HydrophobicContact CG2-CD2 3.99Å; V240-F346 HydrophobicContact CG2-CE2 3.91Å; D243-F346 WeakPolarHBondContact CB-O 3.45Å; H344-F346 HydrophobicContact CB-CE2 4.13Å; H344-F346 HydrophobicContact CB-CZ 4.45Å; H344-F346 AromaticContact ND1-CD1 3.69Å; H344-F346 AromaticContact ND1-CD2 3.71Å; H344-F346 AromaticContact ND1-CE1 3.73Å; H344-F346 AromaticContact ND1-CE2 3.75Å; H344-F346 AromaticContact ND1-CG 3.69Å; H344-F346 AromaticContact ND1-CZ 3.77Å; H344-F346 VanDerWaalsContact O-CD2 3.29Å; H344-F346 WeakPolarHBondContact O-CD2 3.27Å; H344-F346 PolarHBondContact O-N 2.89Å
347R87.9Confident87.1Confident48 Ų4842 Ų4218%0.18124%0.244CC..  trans-88.5143.1179.1-55.2175.5-171.3168.5-1.2111N82 Q83 F84 E127 H211 V345 A349 Y352N82-R347 WeakPolarHBondContact O-CD 3.1Å; N82-R347 PolarHBondContact O-NE 3.38Å; Q83-R347 HydrophobicContact CB-CB 4.38Å; F84-R347 HydrophobicContact CD1-CG 4.46Å; E127-R347 VanDerWaalsContact CD-NH2 3.29Å; E127-R347 IonicContact OE1-NH2 3.65Å; E127-R347 PolarHBondContact OE1-NH2 2.99Å; E127-R347 IonicContact OE2-CZ 3.23Å; E127-R347 IonicContact OE2-NH2 2.85Å; E127-R347 PolarHBondContact OE2-NH2 3.34Å; H211-R347 PolarHBondContact CE1-NH2 3.01Å; H211-R347 PolarHBondContact ND1-NH2 3.06Å; V345-R347 PolarHBondContact O-N 3.1Å; R347-A349 WeakPolarHBondContact CB-O 3.27Å; R347-Y352 VanDerWaalsContact NH1-CZ 3.34Å; R347-Y352 PolarHBondContact NH1-OH 3.33Å
348K81.1Confident86.3Confident179 Ų17944.5 Ų44.578%0.77826%0.26SS*.SBendtrans-74.1-26.7172.5-65.5174.1-170.8166.50113.1
349A79Confident85.7Confident47 Ų4746.6 Ų46.639%0.38828%0.281SS..SBendtrans-141.1151.4179.300000110.9Q83 R347Q83-A349 WeakPolarHBondContact CB-O 3.38Å; Q83-A349 HydrophobicContact CG-CB 4.48Å; R347-A349 WeakPolarHBondContact CB-O 3.27Å
350T76.8Confident85.1Confident79 Ų7952 Ų5249%0.48531%0.306SS..  trans-79124.6176.552.60000110.2Y352 F354T350-Y352 PolarHBondContact O-N 2.86Å; T350-F354 HydrophobicContact CG2-CE2 4.43Å; T350-F354 HydrophobicContact CG2-CZ 4.46Å
351P75.9Confident84.7Confident41 Ų4152.6 Ų52.627%0.26631%0.309SS..  trans-76.1-0.2177.529.2-33.4000113.8Q83Q83-P351 HydrophobicContact CG-CB 3.86Å; Q83-P351 HydrophobicContact CG-CG 4.48Å
352Y79Confident84.3Confident61 Ų6153.9 Ų53.924%0.23932%0.316CS..SBendtrans-101149.1-167.5-50.7-56.2000112.4H125 R347 T350 F354H125-Y352 AromaticContact CD2-CD1 3.69Å; H125-Y352 WeakPolarHBondContact O-CE1 3.4Å; R347-Y352 VanDerWaalsContact NH1-CZ 3.34Å; R347-Y352 PolarHBondContact NH1-OH 3.33Å; T350-Y352 PolarHBondContact O-N 2.86Å; Y352-F354 WeakPolarHBondContact O-CD2 3.28Å
353T75.9Confident84.1Confident98 Ų9856 Ų5660%0.60133%0.327SS*.  trans-75.4147.6172.957.40000110.5R186R186-T353 PolarHBondContact NH1-O 3.17Å; R186-T353 PolarHBondContact NH1-OG1 2.72Å; R186-T353 VanDerWaalsContact NH1-OG1 3.14Å; R186-T353 PolarHBondContact NH2-O 3.36Å
354F76.3Confident83.9Confident29 Ų2958.4 Ų58.413%0.12734%0.338CS..  trans-122.397.3174.4-74.5-95.4000107.8I315 W316 T350 Y352 G356 G357 T358 I361I315-F354 HydrophobicContact CG2-CD1 3.95Å; I315-F354 HydrophobicContact CG2-CE1 3.8Å; W316-F354 HydrophobicContact CB-CE1 4.27Å; T350-F354 HydrophobicContact CG2-CE2 4.43Å; T350-F354 HydrophobicContact CG2-CZ 4.46Å; Y352-F354 WeakPolarHBondContact O-CD2 3.28Å; F354-G356 PolarHBondContact O-N 2.99Å; F354-G357 WeakPolarHBondContact O-CA 3.47Å; F354-G357 PolarHBondContact O-N 2.93Å; F354-T358 HydrophobicContact CD1-CG2 4.45Å; F354-T358 WeakPolarHBondContact CD2-OG1 3.43Å; F354-T358 HydrophobicContact CE1-CG2 4.42Å; F354-T358 WeakPolarHBondContact CG-OG1 3.46Å; F354-I361 HydrophobicContact CB-CD1 4.06Å; F354-I361 HydrophobicContact CD1-CD1 3.92Å; F354-I361 HydrophobicContact CG-CD1 4.5Å
355P71.4Confident83.8Confident89 Ų8957.4 Ų57.458%0.57833%0.333SS*.THydrogen-bonded Turntrans-56.9122.9177.4-23.634000110.4G357 I361P355-G357 VanDerWaalsContact C-N 3.3Å; P355-I361 WeakPolarHBondContact O-CD1 3.43Å
356G70.5Confident83.7Confident58 Ų5857.5 Ų57.560%0.59833%0.334SS*.THydrogen-bonded Turntrans83.9-3.8-173.500000115.4F354 Q360F354-G356 PolarHBondContact O-N 2.99Å; G356-Q360 PolarHBondContact O-OE1 3.32Å; G356-Q360 VanDerWaalsContact O-OE1 3.11Å
357G81.6Confident84Confident32 Ų3255.2 Ų55.233%0.3332%0.323SS..  trans90146.2176.300000114F354 P355 G359 Q360 I361F354-G357 WeakPolarHBondContact O-CA 3.47Å; F354-G357 PolarHBondContact O-N 2.93Å; P355-G357 VanDerWaalsContact C-N 3.3Å; G357-G359 VanDerWaalsContact C-N 3.3Å; G357-G359 PolarHBondContact O-N 3.27Å; G357-Q360 PolarHBondContact O-N 3.38Å; G357-I361 PolarHBondContact O-N 2.91Å
358T81.2Confident84.5Confident59 Ų5953.4 Ų53.436%0.36232%0.316SS..Hα-helixtrans-58.2-39.9-175.4-51.80000112.7F354 Q360 I361 I362F354-T358 HydrophobicContact CD1-CG2 4.45Å; F354-T358 WeakPolarHBondContact CD2-OG1 3.43Å; F354-T358 HydrophobicContact CE1-CG2 4.42Å; F354-T358 WeakPolarHBondContact CG-OG1 3.46Å; T358-Q360 PolarHBondContact O-N 2.88Å; T358-I361 PolarHBondContact O-N 2.74Å; T358-I362 HydrophobicContact CG2-CD1 3.49Å; T358-I362 VanDerWaalsContact CG2-CD1 3.49Å; T358-I362 HydrophobicContact CG2-CG1 4.18Å; T358-I362 WeakPolarHBondContact O-CB 3.32Å; T358-I362 WeakPolarHBondContact O-CG1 3.11Å; T358-I362 PolarHBondContact O-N 3.32Å
359G84.6Confident85.3Confident44 Ų4444.9 Ų44.945%0.45428%0.279SS..Hα-helixtrans-63.2-41.8-179.800000113.3G357 N363G357-G359 VanDerWaalsContact C-N 3.3Å; G357-G359 PolarHBondContact O-N 3.27Å; G359-N363 WeakPolarHBondContact O-CB 3.44Å; G359-N363 PolarHBondContact O-N 3.3Å; G359-N363 PolarHBondContact O-ND2 3.04Å
360Q87.2Confident86.1Confident115 Ų11542.7 Ų42.754%0.53726%0.26SS..Hα-helixtrans-65.9-45.7179.3-174.5178.15.200111.2G356 G357 T358 K364 V391G356-Q360 PolarHBondContact O-OE1 3.32Å; G356-Q360 VanDerWaalsContact O-OE1 3.11Å; G357-Q360 PolarHBondContact O-N 3.38Å; T358-Q360 PolarHBondContact O-N 2.88Å; Q360-K364 VanDerWaalsContact O-CB 3.3Å; Q360-K364 WeakPolarHBondContact O-CB 3.45Å; Q360-K364 PolarHBondContact O-N 2.76Å; Q360-V391 HydrophobicContact CG-CG1 4.32Å
361I89.9Confident87.1Confident12 Ų1240.5 Ų40.56%0.06225%0.245CC..Hα-helixtrans-63.8-51.2-180-70.9168.5000111.1D314 I315 F354 P355 G357 T358 N363 K364 N365D314-I361 HydrophobicContact CB-CG2 4.24Å; D314-I361 WeakPolarHBondContact O-CG2 3.39Å; I315-I361 HydrophobicContact CB-CD1 4.28Å; I315-I361 HydrophobicContact CB-CG2 4.25Å; I315-I361 HydrophobicContact CG1-CD1 3.9Å; F354-I361 HydrophobicContact CB-CD1 4.06Å; F354-I361 HydrophobicContact CD1-CD1 3.92Å; F354-I361 HydrophobicContact CG-CD1 4.5Å; P355-I361 WeakPolarHBondContact O-CD1 3.43Å; G357-I361 PolarHBondContact O-N 2.91Å; T358-I361 PolarHBondContact O-N 2.74Å; I361-N363 PolarHBondContact O-N 2.88Å; I361-K364 WeakPolarHBondContact O-CB 3.43Å; I361-K364 PolarHBondContact O-N 3.2Å; I361-N365 PolarHBondContact O-N 2.74Å
362I90.7Very high88.2Confident35 Ų3538.6 Ų38.618%0.17923%0.232CC..Hα-helixtrans-64.6-42.8-178.4-66.2177.5000110.4W316 T358 K364 N365 N366W316-I362 HydrophobicContact CE3-CD1 4.14Å; W316-I362 HydrophobicContact CE3-CG1 4.43Å; W316-I362 HydrophobicContact CZ3-CD1 3.79Å; W316-I362 HydrophobicContact CZ3-CG1 4.47Å; T358-I362 HydrophobicContact CG2-CD1 3.49Å; T358-I362 VanDerWaalsContact CG2-CD1 3.49Å; T358-I362 HydrophobicContact CG2-CG1 4.18Å; T358-I362 WeakPolarHBondContact O-CB 3.32Å; T358-I362 WeakPolarHBondContact O-CG1 3.11Å; T358-I362 PolarHBondContact O-N 3.32Å; I362-K364 VanDerWaalsContact C-N 3.33Å; I362-K364 PolarHBondContact O-N 2.91Å; I362-N365 PolarHBondContact O-N 2.81Å; I362-N366 VanDerWaalsContact O-CB 3.27Å; I362-N366 WeakPolarHBondContact O-CB 3.09Å; I362-N366 PolarHBondContact O-N 3.03Å
363N93.3Very high89.1Confident43 Ų4335.7 Ų35.723%0.2322%0.221CC..Hα-helixtrans-63.7-39.6177.6-72.6-11.2000111.9G359 I361 R367 V388 V391G359-N363 WeakPolarHBondContact O-CB 3.44Å; G359-N363 PolarHBondContact O-N 3.3Å; G359-N363 PolarHBondContact O-ND2 3.04Å; I361-N363 PolarHBondContact O-N 2.88Å; N363-R367 VanDerWaalsContact O-CB 3.25Å; N363-R367 WeakPolarHBondContact O-CB 3.38Å; N363-R367 PolarHBondContact O-N 3.31Å; N363-V388 HydrophobicContact CB-CG2 4.13Å; N363-V391 HydrophobicContact CB-CB 4.42Å; N363-V391 HydrophobicContact CB-CG2 3.9Å
364K94.8Very high90.1Very high51 Ų5131.1 Ų31.122%0.22219%0.193CC..Hα-helixtrans-57.9-54.1173.6178.2179.2176.6-176.70110.7D314 Q360 I361 I362 N366 R367 R368 V391D314-K364 WeakPolarHBondContact OD2-CD 3.2Å; D314-K364 WeakPolarHBondContact OD2-CE 3.47Å; D314-K364 IonicContact OD2-NZ 2.67Å; D314-K364 PolarHBondContact OD2-NZ 3Å; Q360-K364 VanDerWaalsContact O-CB 3.3Å; Q360-K364 WeakPolarHBondContact O-CB 3.45Å; Q360-K364 PolarHBondContact O-N 2.76Å; I361-K364 WeakPolarHBondContact O-CB 3.43Å; I361-K364 PolarHBondContact O-N 3.2Å; I362-K364 VanDerWaalsContact C-N 3.33Å; I362-K364 PolarHBondContact O-N 2.91Å; K364-N366 PolarHBondContact O-N 3.09Å; K364-R367 PolarHBondContact O-N 3.46Å; K364-R368 WeakPolarHBondContact O-CG 3.23Å; K364-R368 PolarHBondContact O-N 3.12Å; K364-V391 HydrophobicContact CB-CG1 3.83Å
365N95.9Very high91.1Very high0 Ų031.7 Ų31.70%020%0.197CC..Hα-helixtrans-62.9-44.6-178-64-9.7000111.6M313 D314 G317 I361 I362 R367 R368 L369M313-N365 VanDerWaalsContact CA-OD1 3.28Å; M313-N365 WeakPolarHBondContact CA-OD1 3.37Å; M313-N365 HydrophobicContact CB-CB 4.45Å; M313-N365 HydrophobicContact CE-CB 4.37Å; M313-N365 WeakPolarHBondContact CE-O 3.41Å; M313-N365 HydrophobicContact CG-CB 4.11Å; M313-N365 HydrophobicContact SD-CB 4.38Å; D314-N365 PolarHBondContact N-OD1 2.63Å; D314-N365 PolarHBondContact O-ND2 3.43Å; G317-N365 WeakPolarHBondContact O-CB 3.47Å; G317-N365 PolarHBondContact O-ND2 2.93Å; I361-N365 PolarHBondContact O-N 2.74Å; I362-N365 PolarHBondContact O-N 2.81Å; N365-R367 VanDerWaalsContact C-N 3.29Å; N365-R367 PolarHBondContact O-N 3.41Å; N365-R368 WeakPolarHBondContact O-CB 3.29Å; N365-R368 PolarHBondContact O-N 3.07Å; N365-L369 PolarHBondContact O-N 3.11Å
366N95.8Very high92Very high5 Ų532.7 Ų32.73%0.02719%0.194CC..Hα-helixtrans-64-32.8176.3-75.5-7.4000112.6L263 G318 I362 K364 L369 A370 F381L263-N366 HydrophobicContact CD1-CB 4.24Å; G318-N366 WeakPolarHBondContact CA-OD1 3.42Å; I362-N366 VanDerWaalsContact O-CB 3.27Å; I362-N366 WeakPolarHBondContact O-CB 3.09Å; I362-N366 PolarHBondContact O-N 3.03Å; K364-N366 PolarHBondContact O-N 3.09Å; N366-L369 HydrophobicContact CB-CD2 4.4Å; N366-L369 WeakPolarHBondContact O-CG 3.24Å; N366-L369 WeakPolarHBondContact OD1-CD2 3.27Å; N366-A370 VanDerWaalsContact O-CB 3.22Å; N366-A370 WeakPolarHBondContact O-CB 3.45Å; N366-A370 PolarHBondContact O-N 3.32Å; N366-F381 HydrophobicContact CB-CE1 3.96Å; N366-F381 HydrophobicContact CB-CZ 3.77Å
367R95.9Very high93Very high34 Ų3431.1 Ų31.113%0.12817%0.171CC..Hα-helixtrans-68.6-44.8173-168.2165.7-179.6-177.14.7111.4N363 K364 N365 L369 A370 E371 Y382 V388 T389 V391 Y393N363-R367 VanDerWaalsContact O-CB 3.25Å; N363-R367 WeakPolarHBondContact O-CB 3.38Å; N363-R367 PolarHBondContact O-N 3.31Å; K364-R367 PolarHBondContact O-N 3.46Å; N365-R367 VanDerWaalsContact C-N 3.29Å; N365-R367 PolarHBondContact O-N 3.41Å; R367-L369 VanDerWaalsContact C-N 3.32Å; R367-L369 PolarHBondContact O-N 3.06Å; R367-A370 PolarHBondContact O-N 3.13Å; R367-E371 HydrophobicContact CG-CG 4.19Å; R367-E371 WeakPolarHBondContact O-CB 3.44Å; R367-E371 VanDerWaalsContact O-CG 3.3Å; R367-E371 WeakPolarHBondContact O-CG 3.39Å; R367-E371 PolarHBondContact O-N 2.76Å; R367-Y382 HydrophobicContact CG-CE1 4.37Å; R367-Y382 WeakPolarHBondContact CG-OH 3.45Å; R367-V388 HydrophobicContact CB-CG1 3.75Å; R367-V388 WeakPolarHBondContact CD-O 3.38Å; R367-V388 HydrophobicContact CG-CG1 4.18Å; R367-T389 VanDerWaalsContact NH1-C 3.27Å; R367-T389 PolarHBondContact NH1-O 2.81Å; R367-V391 WeakPolarHBondContact CD-O 3.44Å; R367-V391 PolarHBondContact NH1-O 3.37Å; R367-Y393 HydrophobicContact CG-CD1 3.69Å; R367-Y393 HydrophobicContact CG-CE1 4.41Å; R367-Y393 HydrophobicContact CG-CG 3.94Å
368R97.8Very high93.5Very high10 Ų1032 Ų324%0.03817%0.166CC..Hα-helixtrans-56-46.3175.2-66.7-179.766.779.31.2111.8D310 K364 N365 V372 Y393 D395 I396D310-R368 IonicContact OD1-CZ 2.68Å; D310-R368 IonicContact OD1-NE 3.24Å; D310-R368 IonicContact OD1-NH2 2.77Å; D310-R368 PolarHBondContact OD1-NH2 2.99Å; D310-R368 IonicContact OD2-CZ 3.97Å; D310-R368 VanDerWaalsContact OD2-CZ 3.27Å; D310-R368 IonicContact OD2-NE 2.67Å; D310-R368 PolarHBondContact OD2-NE 2.99Å; D310-R368 IonicContact OD2-NH2 2.77Å; D310-R368 PolarHBondContact OD2-NH2 2.92Å; K364-R368 WeakPolarHBondContact O-CG 3.23Å; K364-R368 PolarHBondContact O-N 3.12Å; N365-R368 WeakPolarHBondContact O-CB 3.29Å; N365-R368 PolarHBondContact O-N 3.07Å; R368-V372 VanDerWaalsContact O-CG2 3.27Å; R368-V372 WeakPolarHBondContact O-CG2 3.12Å; R368-V372 PolarHBondContact O-N 3.39Å; R368-Y393 WeakPolarHBondContact CD-O 3.15Å; R368-Y393 WeakPolarHBondContact CG-O 3.48Å; R368-Y393 PolarHBondContact NH1-O 3.34Å; R368-D395 PolarHBondContact NH1-O 3.17Å; R368-D395 PolarHBondContact NH2-O 2.86Å; R368-I396 HydrophobicContact CB-CG2 4.37Å; R368-I396 HydrophobicContact CG-CG2 4.22Å
369L97.4Very high93.8Very high1 Ų132.5 Ų32.51%0.00517%0.166CC..Hα-helixtrans-67.6-40.8179.587.587.1000111.9L263 M313 G318 L321 E322 F325 N365 N366 R367 V372 W373 M374L263-L369 HydrophobicContact CD1-CD1 4.01Å; L263-L369 HydrophobicContact CD1-CG 4.39Å; M313-L369 HydrophobicContact CE-CB 3.91Å; G318-L369 WeakPolarHBondContact O-CD2 3.31Å; L321-L369 HydrophobicContact CB-CD2 4.29Å; E322-L369 HydrophobicContact CB-CB 3.89Å; E322-L369 HydrophobicContact CG-CB 3.94Å; F325-L369 HydrophobicContact CD2-CD1 3.97Å; F325-L369 HydrophobicContact CE2-CD1 3.59Å; N365-L369 PolarHBondContact O-N 3.11Å; N366-L369 HydrophobicContact CB-CD2 4.4Å; N366-L369 WeakPolarHBondContact O-CG 3.24Å; N366-L369 WeakPolarHBondContact OD1-CD2 3.27Å; R367-L369 VanDerWaalsContact C-N 3.32Å; R367-L369 PolarHBondContact O-N 3.06Å; L369-V372 PolarHBondContact O-N 3.31Å; L369-W373 WeakPolarHBondContact O-CB 3.01Å; L369-W373 PolarHBondContact O-N 3.43Å; L369-M374 HydrophobicContact CD1-SD 4.19Å
370A97.3Very high93.9Very high0 Ų030.8 Ų30.80%015%0.146CC..Hα-helixtrans-66.5-44.7-179.400000111.9L263 N366 R367 V372 M374 K378 F381 Y382L263-A370 HydrophobicContact CD1-CB 4.47Å; N366-A370 VanDerWaalsContact O-CB 3.22Å; N366-A370 WeakPolarHBondContact O-CB 3.45Å; N366-A370 PolarHBondContact O-N 3.32Å; R367-A370 PolarHBondContact O-N 3.13Å; A370-V372 VanDerWaalsContact C-N 3.28Å; A370-V372 PolarHBondContact O-N 3.11Å; A370-M374 HydrophobicContact CB-CG 4.45Å; A370-M374 HydrophobicContact CB-SD 3.69Å; A370-M374 WeakPolarHBondContact O-CB 3.43Å; A370-M374 PolarHBondContact O-N 2.04Å; A370-M374 VanDerWaalsContact O-N 3.15Å; A370-K378 HydrophobicContact CB-CB 3.99Å; A370-F381 HydrophobicContact CB-CD1 4.09Å; A370-Y382 HydrophobicContact CB-CE1 4.46Å
371E97.4Very high94Very high33 Ų3325.5 Ų25.515%0.15412%0.121CC..Hα-helixtrans-62-34.5177.9-70.8-61.2161.800112.9R367 K378 Y382 Y393 I396R367-E371 HydrophobicContact CG-CG 4.19Å; R367-E371 WeakPolarHBondContact O-CB 3.44Å; R367-E371 VanDerWaalsContact O-CG 3.3Å; R367-E371 WeakPolarHBondContact O-CG 3.39Å; R367-E371 PolarHBondContact O-N 2.76Å; E371-K378 IonicContact OE2-NZ 3.62Å; E371-K378 PolarHBondContact OE2-NZ 3.48Å; E371-Y382 WeakPolarHBondContact CG-OH 3.35Å; E371-Y382 PolarHBondContact OE1-OH 3.41Å; E371-Y393 HydrophobicContact CG-CE1 4.36Å; E371-Y393 HydrophobicContact CG-CE2 4.13Å; E371-I396 HydrophobicContact CB-CD1 3.61Å; E371-I396 HydrophobicContact CG-CD1 4.48Å
372V98.4Very high94.1Very high1 Ų125.5 Ų25.51%0.00612%0.121CC..Hα-helixtrans-86.6-39.4-177.4178.60000112.4R368 L369 A370 I396 R399 L400 R403R368-V372 VanDerWaalsContact O-CG2 3.27Å; R368-V372 WeakPolarHBondContact O-CG2 3.12Å; R368-V372 PolarHBondContact O-N 3.39Å; L369-V372 PolarHBondContact O-N 3.31Å; A370-V372 VanDerWaalsContact C-N 3.28Å; A370-V372 PolarHBondContact O-N 3.11Å; V372-I396 HydrophobicContact CG2-CB 3.98Å; V372-I396 HydrophobicContact CG2-CD1 4Å; V372-I396 HydrophobicContact CG2-CG2 4.29Å; V372-R399 HydrophobicContact CG1-CB 3.96Å; V372-R399 HydrophobicContact CG2-CB 3.77Å; V372-L400 HydrophobicContact CG1-CD2 4.44Å; V372-L400 HydrophobicContact CG2-CD2 4.3Å; V372-L400 HydrophobicContact CG2-CG 4.47Å; V372-R403 WeakPolarHBondContact O-CD 3.43Å; V372-R403 PolarHBondContact O-NH1 3.43Å
373W98.4Very high93.9Very high1 Ų124.5 Ų24.50%0.00412%0.115CC..Hα-helixtrans-119.6-9.9-161.4-62.5107.9000116E322 F325 R326 Q329 L369 R403 C408 F411E322-W373 PolarHBondContact OE1-NE1 3.26Å; F325-W373 HydrophobicContact CB-CB 4.13Å; F325-W373 HydrophobicContact CB-CG 4.34Å; F325-W373 HydrophobicContact CD2-CB 4.04Å; R326-W373 HydrophobicContact CB-CH2 3.68Å; R326-W373 HydrophobicContact CB-CZ2 3.65Å; R326-W373 HydrophobicContact CB-CZ3 4.11Å; R326-W373 HydrophobicContact CG-CH2 3.54Å; R326-W373 HydrophobicContact CG-CZ2 3.78Å; R326-W373 HydrophobicContact CG-CZ3 4.27Å; Q329-W373 HydrophobicContact CB-CZ3 4.48Å; Q329-W373 PolarHBondContact NE2-O 3.47Å; Q329-W373 VanDerWaalsContact NE2-O 3.13Å; Q329-W373 PolarHBondContact OE1-O 3.37Å; L369-W373 WeakPolarHBondContact O-CB 3.01Å; L369-W373 PolarHBondContact O-N 3.43Å; W373-R403 HydrophobicContact CE3-CG 4.29Å; W373-R403 HydrophobicContact CH2-CB 4.1Å; W373-R403 HydrophobicContact CH2-CG 4.13Å; W373-R403 HydrophobicContact CZ3-CB 4.22Å; W373-R403 HydrophobicContact CZ3-CG 3.73Å; W373-C408 HydrophobicContact CZ3-CB 4.22Å; W373-F411 WeakPolarHBondContact O-CB 3.22Å; W373-F411 WeakPolarHBondContact O-CD2 3.48Å
374M97.4Very high93.6Very high1 Ų122.9 Ų22.91%0.00511%0.107CC..  trans-106.2-3.1-173.1-66.8179.265.600115.1L263 F325 L369 A370 E376 F377 K378 F381 F411L263-M374 HydrophobicContact CD1-SD 3.85Å; L263-M374 HydrophobicContact CD2-CE 3.91Å; L263-M374 HydrophobicContact CD2-SD 3.74Å; L263-M374 HydrophobicContact CG-SD 4.38Å; F325-M374 HydrophobicContact CE2-CG 4.17Å; F325-M374 HydrophobicContact CE2-SD 4.47Å; L369-M374 HydrophobicContact CD1-SD 4.19Å; A370-M374 HydrophobicContact CB-CG 4.45Å; A370-M374 HydrophobicContact CB-SD 3.69Å; A370-M374 WeakPolarHBondContact O-CB 3.43Å; A370-M374 PolarHBondContact O-N 2.04Å; A370-M374 VanDerWaalsContact O-N 3.15Å; M374-E376 PolarHBondContact O-N 3.35Å; M374-F377 HydrophobicContact CE-CB 4.47Å; M374-F377 WeakPolarHBondContact O-CA 3.14Å; M374-F377 VanDerWaalsContact O-CB 3.27Å; M374-F377 WeakPolarHBondContact O-CB 3.42Å; M374-F377 PolarHBondContact O-N 3.37Å; M374-K378 HydrophobicContact CB-CB 4.1Å; M374-F381 HydrophobicContact CE-CB 4.28Å; M374-F411 HydrophobicContact CB-CD1 4.4Å; M374-F411 HydrophobicContact CB-CG 4.44Å; M374-F411 HydrophobicContact CE-CE1 4.32Å; M374-F411 HydrophobicContact CE-CZ 4.43Å; M374-F411 HydrophobicContact CG-CD2 4.37Å; M374-F411 HydrophobicContact CG-CE1 4.28Å; M374-F411 HydrophobicContact CG-CE2 4.08Å; M374-F411 HydrophobicContact CG-CZ 4.01Å
375D96Very high93.3Very high41 Ų4121.5 Ų21.522%0.21910%0.104CC..G310 helixtrans50.1-131.4179.4-55.9-40.1000112F377 K378 R403 P410 F411D375-F377 PolarHBondContact O-N 3.05Å; D375-K378 WeakPolarHBondContact O-CD 3.44Å; D375-K378 WeakPolarHBondContact O-CG 3.37Å; D375-K378 PolarHBondContact O-N 2.82Å; D375-R403 VanDerWaalsContact CG-NH2 3.31Å; D375-R403 IonicContact OD1-CZ 2.96Å; D375-R403 VanDerWaalsContact OD1-CZ 3.26Å; D375-R403 IonicContact OD1-NH1 3.03Å; D375-R403 PolarHBondContact OD1-NH1 2.87Å; D375-R403 IonicContact OD1-NH2 2.63Å; D375-R403 PolarHBondContact OD1-NH2 2.91Å; D375-R403 IonicContact OD2-CZ 3.49Å; D375-R403 IonicContact OD2-NH1 2.66Å; D375-R403 IonicContact OD2-NH2 3.28Å; D375-R403 PolarHBondContact OD2-NH2 3.18Å; D375-P410 WeakPolarHBondContact OD2-CA 3.46Å; D375-F411 HydrophobicContact CB-CB 4.45Å; D375-F411 PolarHBondContact OD2-N 2.86Å
376E91.3Very high92.8Very high111 Ų11124 Ų2452%0.51912%0.12SC..G310 helixtrans-65.6-22.6176.166.6-84.7-164.400113.7M374 K378 N379M374-E376 PolarHBondContact O-N 3.35Å; E376-K378 PolarHBondContact O-N 2.82Å; E376-N379 WeakPolarHBondContact O-CB 3.47Å; E376-N379 PolarHBondContact O-N 3.26Å; E376-N379 PolarHBondContact O-ND2 2.77Å
377F91Very high92.3Very high25 Ų2525.5 Ų25.511%0.1114%0.136CC..G310 helixtrans-72.1-13.4-178.2-60.7-94.2000112.8M374 D375 N379 F380 F411 L415 I424M374-F377 HydrophobicContact CE-CB 4.47Å; M374-F377 WeakPolarHBondContact O-CA 3.14Å; M374-F377 VanDerWaalsContact O-CB 3.27Å; M374-F377 WeakPolarHBondContact O-CB 3.42Å; M374-F377 PolarHBondContact O-N 3.37Å; D375-F377 PolarHBondContact O-N 3.05Å; F377-N379 PolarHBondContact O-N 3.49Å; F377-F380 WeakPolarHBondContact O-CB 3.1Å; F377-F380 PolarHBondContact O-N 3.26Å; F377-F380 VanDerWaalsContact O-N 3.11Å; F377-F411 HydrophobicContact CB-CD1 3.71Å; F377-F411 HydrophobicContact CB-CE1 3.96Å; F377-F411 HydrophobicContact CD2-CB 4.27Å; F377-F411 AromaticContact CD2-CD1 3.65Å; F377-F411 HydrophobicContact CD2-CD1 3.65Å; F377-F411 HydrophobicContact CD2-CG 4.45Å; F377-F411 HydrophobicContact CE2-CD1 4.45Å; F377-F411 AromaticContact CG-CD1 3.72Å; F377-F411 HydrophobicContact CG-CD1 3.72Å; F377-F411 HydrophobicContact CG-CE1 4.23Å; F377-L415 HydrophobicContact CD1-CD1 3.63Å; F377-L415 HydrophobicContact CE1-CD1 3.53Å; F377-L415 HydrophobicContact CE2-CD1 4.45Å; F377-L415 HydrophobicContact CG-CD1 4.15Å; F377-L415 HydrophobicContact CZ-CD1 3.97Å; F377-I424 HydrophobicContact CD1-CG2 4.24Å
378K92.1Very high92Very high51 Ų5123.9 Ų23.922%0.22213%0.13CC..Hα-helixtrans-59.1-30.3170.173.9-168.3174.3178.70112.1A370 E371 M374 D375 E376 F380 F381 Y382A370-K378 HydrophobicContact CB-CB 3.99Å; E371-K378 IonicContact OE2-NZ 3.62Å; E371-K378 PolarHBondContact OE2-NZ 3.48Å; M374-K378 HydrophobicContact CB-CB 4.1Å; D375-K378 WeakPolarHBondContact O-CD 3.44Å; D375-K378 WeakPolarHBondContact O-CG 3.37Å; D375-K378 PolarHBondContact O-N 2.82Å; E376-K378 PolarHBondContact O-N 2.82Å; K378-F380 PolarHBondContact O-N 3.01Å; K378-F381 WeakPolarHBondContact O-CB 3.43Å; K378-F381 PolarHBondContact O-N 3.46Å; K378-F381 VanDerWaalsContact O-N 3.12Å; K378-Y382 HydrophobicContact CB-CE2 4.23Å; K378-Y382 HydrophobicContact CD-CE2 4.18Å; K378-Y382 HydrophobicContact CG-CD2 4.39Å; K378-Y382 HydrophobicContact CG-CE2 3.91Å; K378-Y382 PolarHBondContact O-N 3.34Å
379N87.8Confident91.5Very high69 Ų6924.6 Ų24.637%0.36914%0.136SC..Hα-helixtrans-62.9-36178.5-66.3-24.7000111.2E376 F377 F381 Y382 I383 L555E376-N379 WeakPolarHBondContact O-CB 3.47Å; E376-N379 PolarHBondContact O-N 3.26Å; E376-N379 PolarHBondContact O-ND2 2.77Å; F377-N379 PolarHBondContact O-N 3.49Å; N379-F381 VanDerWaalsContact C-N 3.35Å; N379-F381 PolarHBondContact O-N 3.19Å; N379-Y382 PolarHBondContact O-N 2.99Å; N379-I383 WeakPolarHBondContact O-CD1 3.34Å; N379-I383 VanDerWaalsContact O-CG1 3.24Å; N379-I383 WeakPolarHBondContact O-CG1 3.36Å; N379-I383 PolarHBondContact O-N 3.28Å; N379-L555 HydrophobicContact CB-CD1 3.72Å; N379-L555 WeakPolarHBondContact OD1-CD1 3.12Å
380F86.4Confident91.1Very high8 Ų833.2 Ų33.24%0.03517%0.173CC..Hα-helixtrans-57.3-50.3174.4-159.6-74.5000110.7W261 F377 K378 Y382 I383 I384 I424 P425 L431W261-F380 HydrophobicContact CB-CD1 4.43Å; W261-F380 HydrophobicContact CB-CE1 3.96Å; W261-F380 HydrophobicContact CD2-CD1 4.4Å; W261-F380 AromaticContact CD2-CE1 3.22Å; W261-F380 HydrophobicContact CD2-CE1 3.22Å; W261-F380 AromaticContact CD2-CZ 3.62Å; W261-F380 HydrophobicContact CD2-CZ 3.62Å; W261-F380 AromaticContact CE2-CE1 3.64Å; W261-F380 AromaticContact CE2-CZ 3.59Å; W261-F380 AromaticContact CE3-CE1 3.4Å; W261-F380 HydrophobicContact CE3-CE1 3.4Å; W261-F380 AromaticContact CE3-CZ 3.66Å; W261-F380 HydrophobicContact CE3-CZ 3.66Å; W261-F380 HydrophobicContact CG-CD1 4.32Å; W261-F380 AromaticContact CG-CE1 3.49Å; W261-F380 HydrophobicContact CG-CE1 3.49Å; W261-F380 VanDerWaalsContact CG-CE1 3.49Å; W261-F380 HydrophobicContact CG-CZ 4.28Å; W261-F380 HydrophobicContact CH2-CE1 4.3Å; W261-F380 AromaticContact CH2-CZ 3.69Å; W261-F380 HydrophobicContact CH2-CZ 3.69Å; W261-F380 HydrophobicContact CZ2-CE1 4.17Å; W261-F380 AromaticContact CZ2-CZ 3.65Å; W261-F380 HydrophobicContact CZ2-CZ 3.65Å; W261-F380 AromaticContact CZ3-CE1 3.93Å; W261-F380 HydrophobicContact CZ3-CE1 3.93Å; W261-F380 AromaticContact CZ3-CZ 3.69Å; W261-F380 HydrophobicContact CZ3-CZ 3.69Å; F377-F380 WeakPolarHBondContact O-CB 3.1Å; F377-F380 PolarHBondContact O-N 3.26Å; F377-F380 VanDerWaalsContact O-N 3.11Å; K378-F380 PolarHBondContact O-N 3.01Å; F380-Y382 PolarHBondContact O-N 2.81Å; F380-I383 PolarHBondContact O-N 3.16Å; F380-I384 HydrophobicContact CD1-CG1 4.24Å; F380-I384 HydrophobicContact CE1-CG1 4.03Å; F380-I384 WeakPolarHBondContact O-CG1 3.36Å; F380-I384 PolarHBondContact O-N 3.4Å; F380-I424 HydrophobicContact CD2-CG2 4.46Å; F380-I424 HydrophobicContact CG-CG2 4.37Å; F380-P425 HydrophobicContact CE2-CG 3.56Å; F380-P425 HydrophobicContact CZ-CG 3.9Å; F380-L431 HydrophobicContact CD2-CD1 4.13Å; F380-L431 HydrophobicContact CD2-CD2 3.33Å; F380-L431 HydrophobicContact CD2-CG 4.35Å; F380-L431 HydrophobicContact CE1-CD1 4.48Å; F380-L431 HydrophobicContact CE2-CD1 3.39Å; F380-L431 HydrophobicContact CE2-CD2 3.49Å; F380-L431 VanDerWaalsContact CE2-CD2 3.49Å; F380-L431 HydrophobicContact CE2-CG 4.04Å; F380-L431 HydrophobicContact CG-CD2 4.09Å; F380-L431 HydrophobicContact CZ-CD1 3.59Å; F380-L431 HydrophobicContact CZ-CD2 4.34Å
381F90.1Very high90.7Very high4 Ų434.3 Ų34.32%0.01818%0.18CC..Hα-helixtrans-61.9-42.1177.2171-126.9000112.5K262 L263 N366 A370 M374 K378 N379 I383 I384 S385 V388K262-F381 WeakPolarHBondContact O-CE2 3.46Å; L263-F381 HydrophobicContact CB-CD2 4.49Å; L263-F381 HydrophobicContact CB-CE2 4.23Å; L263-F381 HydrophobicContact CD1-CB 4.49Å; L263-F381 HydrophobicContact CD1-CD1 3.56Å; L263-F381 HydrophobicContact CD1-CD2 3.92Å; L263-F381 HydrophobicContact CD1-CE1 3.53Å; L263-F381 HydrophobicContact CD1-CE2 3.93Å; L263-F381 HydrophobicContact CD1-CG 3.73Å; L263-F381 HydrophobicContact CD1-CZ 3.73Å; L263-F381 HydrophobicContact CG-CD1 4.31Å; L263-F381 HydrophobicContact CG-CD2 3.78Å; L263-F381 HydrophobicContact CG-CE1 4.42Å; L263-F381 HydrophobicContact CG-CE2 3.94Å; L263-F381 HydrophobicContact CG-CG 3.97Å; L263-F381 HydrophobicContact CG-CZ 4.24Å; N366-F381 HydrophobicContact CB-CE1 3.96Å; N366-F381 HydrophobicContact CB-CZ 3.77Å; A370-F381 HydrophobicContact CB-CD1 4.09Å; M374-F381 HydrophobicContact CE-CB 4.28Å; K378-F381 WeakPolarHBondContact O-CB 3.43Å; K378-F381 PolarHBondContact O-N 3.46Å; K378-F381 VanDerWaalsContact O-N 3.12Å; N379-F381 VanDerWaalsContact C-N 3.35Å; N379-F381 PolarHBondContact O-N 3.19Å; F381-I383 PolarHBondContact O-N 3.36Å; F381-I384 PolarHBondContact O-N 2.79Å; F381-S385 WeakPolarHBondContact O-CB 3.34Å; F381-S385 PolarHBondContact O-N 3.43Å; F381-V388 HydrophobicContact CE1-CB 4.24Å; F381-V388 HydrophobicContact CE1-CG1 3.72Å; F381-V388 HydrophobicContact CE1-CG2 3.91Å; F381-V388 HydrophobicContact CE2-CG2 4.25Å; F381-V388 HydrophobicContact CZ-CB 4.34Å; F381-V388 HydrophobicContact CZ-CG1 4.18Å; F381-V388 HydrophobicContact CZ-CG2 3.52Å
382Y90.5Very high90.5Very high11 Ų1138.7 Ų38.74%0.04320%0.204CC..Hα-helixtrans-66.4-35179.7-64.6-20.4000113.6R367 A370 E371 K378 N379 F380 S385 P386 V388 T389 L555R367-Y382 HydrophobicContact CG-CE1 4.37Å; R367-Y382 WeakPolarHBondContact CG-OH 3.45Å; A370-Y382 HydrophobicContact CB-CE1 4.46Å; E371-Y382 WeakPolarHBondContact CG-OH 3.35Å; E371-Y382 PolarHBondContact OE1-OH 3.41Å; K378-Y382 HydrophobicContact CB-CE2 4.23Å; K378-Y382 HydrophobicContact CD-CE2 4.18Å; K378-Y382 HydrophobicContact CG-CD2 4.39Å; K378-Y382 HydrophobicContact CG-CE2 3.91Å; K378-Y382 PolarHBondContact O-N 3.34Å; N379-Y382 PolarHBondContact O-N 2.99Å; F380-Y382 PolarHBondContact O-N 2.81Å; Y382-S385 CarbonylContact O-C 3.55Å; Y382-P386 VanDerWaalsContact O-CA 3.29Å; Y382-P386 WeakPolarHBondContact O-CA 3.37Å; Y382-V388 HydrophobicContact CD1-CB 4.45Å; Y382-V388 HydrophobicContact CD1-CG1 4.17Å; Y382-V388 HydrophobicContact CE1-CG1 3.89Å; Y382-T389 HydrophobicContact CD1-CG2 4.02Å; Y382-T389 HydrophobicContact CD2-CG2 4.13Å; Y382-T389 HydrophobicContact CG-CG2 3.72Å; Y382-L555 HydrophobicContact CD2-CD1 4.14Å
383I87.9Confident90.3Very high14 Ų1441.4 Ų41.47%0.07222%0.215CC..Hα-helixtrans-66.1-40.8174.9-69.6165.3000110.5N379 F380 F381 L431 G463 G464 V467 V553 L555N379-I383 WeakPolarHBondContact O-CD1 3.34Å; N379-I383 VanDerWaalsContact O-CG1 3.24Å; N379-I383 WeakPolarHBondContact O-CG1 3.36Å; N379-I383 PolarHBondContact O-N 3.28Å; F380-I383 PolarHBondContact O-N 3.16Å; F381-I383 PolarHBondContact O-N 3.36Å; I383-L431 HydrophobicContact CD1-CD2 3.89Å; I383-L431 HydrophobicContact CD1-CG 4.46Å; I383-G463 WeakPolarHBondContact O-CA 3.49Å; I383-G464 PolarHBondContact O-N 3.23Å; I383-V467 HydrophobicContact CG2-CB 4.32Å; I383-V467 HydrophobicContact CG2-CG1 3.77Å; I383-V467 HydrophobicContact CG2-CG2 3.6Å; I383-V553 WeakPolarHBondContact CD1-O 3.18Å; I383-V553 HydrophobicContact CG1-CB 4.48Å; I383-V553 HydrophobicContact CG1-CG1 4.14Å; I383-V553 HydrophobicContact CG2-CB 3.89Å; I383-V553 HydrophobicContact CG2-CG1 3.91Å; I383-V553 HydrophobicContact CG2-CG2 4.46Å; I383-L555 HydrophobicContact CG1-CD2 3.73Å; I383-L555 HydrophobicContact CG1-CG 3.91Å
384I86.8Confident90.2Very high10 Ų1042.8 Ų42.85%0.05123%0.229CC..Hα-helixtrans-76.7-34-180-59.2-60.2000111.9W261 K262 F380 F381 P386 G464 V467W261-I384 HydrophobicContact CB-CG1 4.24Å; W261-I384 HydrophobicContact CB-CG2 4.34Å; W261-I384 HydrophobicContact CE3-CD1 3.6Å; W261-I384 HydrophobicContact CE3-CG1 3.94Å; W261-I384 HydrophobicContact CZ3-CD1 4.01Å; K262-I384 HydrophobicContact CD-CG2 4.45Å; K262-I384 HydrophobicContact CG-CG2 3.68Å; F380-I384 HydrophobicContact CD1-CG1 4.24Å; F380-I384 HydrophobicContact CE1-CG1 4.03Å; F380-I384 WeakPolarHBondContact O-CG1 3.36Å; F380-I384 PolarHBondContact O-N 3.4Å; F381-I384 PolarHBondContact O-N 2.79Å; I384-P386 VanDerWaalsContact C-CD 3.47Å; I384-P386 WeakPolarHBondContact O-CD 3.46Å; I384-G464 WeakPolarHBondContact O-CA 3.42Å; I384-V467 HydrophobicContact CD1-CB 3.5Å; I384-V467 HydrophobicContact CD1-CG1 3.36Å; I384-V467 HydrophobicContact CD1-CG2 4.17Å
385S88.4Confident90.2Very high22 Ų2248 Ų4815%0.15426%0.257CS..  trans-124.466.7-175.8-57.20000110.8F381 Y382 G387 V388F381-S385 WeakPolarHBondContact O-CB 3.34Å; F381-S385 PolarHBondContact O-N 3.43Å; Y382-S385 CarbonylContact O-C 3.55Å; S385-G387 PolarHBondContact O-N 3.16Å; S385-G387 VanDerWaalsContact O-N 3.08Å; S385-V388 VanDerWaalsContact O-CB 3.3Å; S385-V388 WeakPolarHBondContact O-CB 3.47Å; S385-V388 VanDerWaalsContact O-CG2 3.31Å; S385-V388 WeakPolarHBondContact O-CG2 3.5Å; S385-V388 PolarHBondContact O-N 2.8Å
386P84.1Confident90.3Very high52 Ų5246.8 Ų46.834%0.33825%0.251SS..G310 helixtrans-61.7-23.5-173.829.8-41.9000113.3Y382 I384 V388 T389 M462Y382-P386 VanDerWaalsContact O-CA 3.29Å; Y382-P386 WeakPolarHBondContact O-CA 3.37Å; I384-P386 VanDerWaalsContact C-CD 3.47Å; I384-P386 WeakPolarHBondContact O-CD 3.46Å; P386-V388 PolarHBondContact O-N 2.85Å; P386-T389 PolarHBondContact O-N 3.15Å; P386-T389 PolarHBondContact O-OG1 2.79Å; P386-M462 VanDerWaalsContact CG-O 3.32Å; P386-M462 WeakPolarHBondContact CG-O 3.18Å
387G85.6Confident90.6Very high36 Ų3645 Ų4537%0.37125%0.25SS..G310 helixtrans-61.8-22.4175.600000113.6S385 K390S385-G387 PolarHBondContact O-N 3.16Å; S385-G387 VanDerWaalsContact O-N 3.08Å; G387-K390 PolarHBondContact O-N 3.43Å
388V89.3Confident90.9Very high1 Ų146.9 Ų46.91%0.00627%0.267CS..G310 helixtrans-69-37-179.1176.60000111.7N363 R367 F381 Y382 S385 P386 K390 V391N363-V388 HydrophobicContact CB-CG2 4.13Å; R367-V388 HydrophobicContact CB-CG1 3.75Å; R367-V388 WeakPolarHBondContact CD-O 3.38Å; R367-V388 HydrophobicContact CG-CG1 4.18Å; F381-V388 HydrophobicContact CE1-CB 4.24Å; F381-V388 HydrophobicContact CE1-CG1 3.72Å; F381-V388 HydrophobicContact CE1-CG2 3.91Å; F381-V388 HydrophobicContact CE2-CG2 4.25Å; F381-V388 HydrophobicContact CZ-CB 4.34Å; F381-V388 HydrophobicContact CZ-CG1 4.18Å; F381-V388 HydrophobicContact CZ-CG2 3.52Å; Y382-V388 HydrophobicContact CD1-CB 4.45Å; Y382-V388 HydrophobicContact CD1-CG1 4.17Å; Y382-V388 HydrophobicContact CE1-CG1 3.89Å; S385-V388 VanDerWaalsContact O-CB 3.3Å; S385-V388 WeakPolarHBondContact O-CB 3.47Å; S385-V388 VanDerWaalsContact O-CG2 3.31Å; S385-V388 WeakPolarHBondContact O-CG2 3.5Å; S385-V388 PolarHBondContact O-N 2.8Å; P386-V388 PolarHBondContact O-N 2.85Å; V388-K390 PolarHBondContact O-N 2.8Å; V388-K390 VanDerWaalsContact O-N 3.13Å; V388-V391 PolarHBondContact O-N 3.49Å; V388-V391 VanDerWaalsContact O-N 3.13Å
389T88.2Confident91.2Very high25 Ų2546.2 Ų46.215%0.15326%0.263CS..G310 helixtrans-68.5-14-177.163.40000113.2R367 Y382 P386 I558R367-T389 VanDerWaalsContact NH1-C 3.27Å; R367-T389 PolarHBondContact NH1-O 2.81Å; Y382-T389 HydrophobicContact CD1-CG2 4.02Å; Y382-T389 HydrophobicContact CD2-CG2 4.13Å; Y382-T389 HydrophobicContact CG-CG2 3.72Å; P386-T389 PolarHBondContact O-N 3.15Å; P386-T389 PolarHBondContact O-OG1 2.79Å; T389-I558 HydrophobicContact CG2-CD1 4.48Å
390K87.9Confident91.7Very high182 Ų18245.5 Ų45.579%0.79126%0.259SS*.G310 helixtrans-86.9-8.8177.6-58.6-177.6-179.3-179.20113.7G387 V388G387-K390 PolarHBondContact O-N 3.43Å; V388-K390 PolarHBondContact O-N 2.8Å; V388-K390 VanDerWaalsContact O-N 3.13Å
391V90.3Very high92.3Very high22 Ų2246.4 Ų46.413%0.13327%0.27CS..SBendtrans-99.8126.7-174.7-178.90000110.2Q360 N363 K364 R367 V388 Y393Q360-V391 HydrophobicContact CG-CG1 4.32Å; N363-V391 HydrophobicContact CB-CB 4.42Å; N363-V391 HydrophobicContact CB-CG2 3.9Å; K364-V391 HydrophobicContact CB-CG1 3.83Å; R367-V391 WeakPolarHBondContact CD-O 3.44Å; R367-V391 PolarHBondContact NH1-O 3.37Å; V388-V391 PolarHBondContact O-N 3.49Å; V388-V391 VanDerWaalsContact O-N 3.13Å; V391-Y393 PolarHBondContact O-N 3.4Å
392D92.4Very high92.7Very high125 Ų12547.3 Ų47.367%0.66828%0.275SS*.  trans-65128.7170.1176.933.2000110.4G394D392-G394 PolarHBondContact OD1-N 3.38Å
393Y94.3Very high93.1Very high59 Ų5948.4 Ų48.423%0.23128%0.279CS..  trans-102.9-5.6-17862.3-88.8000113.1R367 R368 E371 V391 I396R367-Y393 HydrophobicContact CG-CD1 3.69Å; R367-Y393 HydrophobicContact CG-CE1 4.41Å; R367-Y393 HydrophobicContact CG-CG 3.94Å; R368-Y393 WeakPolarHBondContact CD-O 3.15Å; R368-Y393 WeakPolarHBondContact CG-O 3.48Å; R368-Y393 PolarHBondContact NH1-O 3.34Å; E371-Y393 HydrophobicContact CG-CE1 4.36Å; E371-Y393 HydrophobicContact CG-CE2 4.13Å; V391-Y393 PolarHBondContact O-N 3.4Å; Y393-I396 HydrophobicContact CD2-CD1 4.48Å; Y393-I396 HydrophobicContact CD2-CG2 3.87Å; Y393-I396 HydrophobicContact CE2-CD1 3.81Å; Y393-I396 HydrophobicContact CE2-CG1 4.04Å; Y393-I396 HydrophobicContact CE2-CG2 4.16Å
394G95.9Very high93.6Very high30 Ų3055.9 Ų55.931%0.30931%0.306SS..  trans67.2-170.1179.500000114D392 I396D392-G394 PolarHBondContact OD1-N 3.38Å; G394-I396 PolarHBondContact O-N 3.47Å
395D97.1Very high94.2Very high111 Ų11163.7 Ų63.759%0.59434%0.34SS*.  trans-70.8129.9-176.4-179.634.3000112.8R368 S397R368-D395 PolarHBondContact NH1-O 3.17Å; R368-D395 PolarHBondContact NH2-O 2.86Å; D395-S397 WeakPolarHBondContact OD1-CB 3.38Å; D395-S397 PolarHBondContact OD1-N 3.39Å; D395-S397 PolarHBondContact OD1-OG 3.4Å
396I98.1Very high94.6Very high15 Ų1565.2 Ų65.28%0.07735%0.346CS..  trans-1197.9176.259.9169.4000112.5R368 E371 V372 Y393 G394 S398 R399 L400R368-I396 HydrophobicContact CB-CG2 4.37Å; R368-I396 HydrophobicContact CG-CG2 4.22Å; E371-I396 HydrophobicContact CB-CD1 3.61Å; E371-I396 HydrophobicContact CG-CD1 4.48Å; V372-I396 HydrophobicContact CG2-CB 3.98Å; V372-I396 HydrophobicContact CG2-CD1 4Å; V372-I396 HydrophobicContact CG2-CG2 4.29Å; Y393-I396 HydrophobicContact CD2-CD1 4.48Å; Y393-I396 HydrophobicContact CD2-CG2 3.87Å; Y393-I396 HydrophobicContact CE2-CD1 3.81Å; Y393-I396 HydrophobicContact CE2-CG1 4.04Å; Y393-I396 HydrophobicContact CE2-CG2 4.16Å; G394-I396 PolarHBondContact O-N 3.47Å; I396-S398 VanDerWaalsContact C-N 3.26Å; I396-S398 PolarHBondContact O-N 3.2Å; I396-R399 WeakPolarHBondContact O-CB 3.19Å; I396-R399 PolarHBondContact O-N 3.06Å; I396-L400 HydrophobicContact CD1-CD1 3.91Å; I396-L400 HydrophobicContact CD1-CG 4.17Å; I396-L400 HydrophobicContact CG1-CD1 3.93Å; I396-L400 HydrophobicContact CG1-CG 4.26Å; I396-L400 PolarHBondContact O-N 3.36Å
397S98.3Very high95.3Very high73 Ų7371 Ų7151%0.5137%0.368SS..Hα-helixtrans-55.4-40.5-175.4-61.50000112.6D395 R399 G401D395-S397 WeakPolarHBondContact OD1-CB 3.38Å; D395-S397 PolarHBondContact OD1-N 3.39Å; D395-S397 PolarHBondContact OD1-OG 3.4Å; S397-R399 VanDerWaalsContact C-N 3.34Å; S397-R399 PolarHBondContact O-N 3.47Å; S397-G401 PolarHBondContact O-N 2.86Å
398S97.8Very high95.9Very high65 Ų6570.3 Ų70.346%0.45536%0.357SS..Hα-helixtrans-63.9-37.4176.772.10000112.9I396 L402I396-S398 VanDerWaalsContact C-N 3.26Å; I396-S398 PolarHBondContact O-N 3.2Å; S398-L402 WeakPolarHBondContact O-CB 3.44Å; S398-L402 PolarHBondContact O-N 3.47Å
399R98.5Very high96.4Very high37 Ų3774.5 Ų74.514%0.1438%0.376CS..Hα-helixtrans-74.1-41.8-179.6-59.7-5898.1175.68.3111.3G307 D310 V372 I396 S397 L402 R403G307-R399 PolarHBondContact O-NH1 3.34Å; D310-R399 HydrophobicContact CB-CG 4.4Å; V372-R399 HydrophobicContact CG1-CB 3.96Å; V372-R399 HydrophobicContact CG2-CB 3.77Å; I396-R399 WeakPolarHBondContact O-CB 3.19Å; I396-R399 PolarHBondContact O-N 3.06Å; S397-R399 VanDerWaalsContact C-N 3.34Å; S397-R399 PolarHBondContact O-N 3.47Å; R399-L402 WeakPolarHBondContact O-CB 3.33Å; R399-L402 PolarHBondContact O-N 3.01Å; R399-R403 PolarHBondContact O-N 2.82Å
400L98.4Very high96.9Very high54 Ų5476.3 Ų76.328%0.28339%0.388SS..Hα-helixtrans-62.8-42172.1-67.5174000111.8V372 I396 R403 R404V372-L400 HydrophobicContact CG1-CD2 4.44Å; V372-L400 HydrophobicContact CG2-CD2 4.3Å; V372-L400 HydrophobicContact CG2-CG 4.47Å; I396-L400 HydrophobicContact CD1-CD1 3.91Å; I396-L400 HydrophobicContact CD1-CG 4.17Å; I396-L400 HydrophobicContact CG1-CD1 3.93Å; I396-L400 HydrophobicContact CG1-CG 4.26Å; I396-L400 PolarHBondContact O-N 3.36Å; L400-R403 PolarHBondContact O-N 2.62Å; L400-R404 PolarHBondContact O-N 3.25Å; L400-R404 VanDerWaalsContact O-N 3.1Å
401G98.6Very high97.4Very high26 Ų2667.6 Ų67.627%0.26835%0.35SS..Hα-helixtrans-61.2-42.8174.700000112.5S397 R404 K405S397-G401 PolarHBondContact O-N 2.86Å; G401-R404 PolarHBondContact O-N 3.35Å; G401-K405 WeakPolarHBondContact O-CB 3.44Å; G401-K405 PolarHBondContact O-N 2.91Å
402L98.6Very high97.6Very high23 Ų2368.7 Ų68.712%0.1236%0.359CS..Hα-helixtrans-60.7-48.3174.3178.869.1000111.9I306 S398 R399 R404 K405 L406I306-L402 WeakPolarHBondContact O-CD2 3.3Å; S398-L402 WeakPolarHBondContact O-CB 3.44Å; S398-L402 PolarHBondContact O-N 3.47Å; R399-L402 WeakPolarHBondContact O-CB 3.33Å; R399-L402 PolarHBondContact O-N 3.01Å; L402-R404 VanDerWaalsContact C-N 3.29Å; L402-R404 PolarHBondContact O-N 3.47Å; L402-K405 PolarHBondContact O-N 2.73Å; L402-K405 VanDerWaalsContact O-N 3.17Å; L402-L406 HydrophobicContact CD1-CD1 3.75Å; L402-L406 HydrophobicContact CD1-CG 4.09Å; L402-L406 HydrophobicContact CG-CD1 3.97Å; L402-L406 WeakPolarHBondContact O-CG 3.32Å; L402-L406 PolarHBondContact O-N 2.78Å
403R98.6Very high97.9Very high34 Ų3465.8 Ų65.813%0.12834%0.338CS..Hα-helixtrans-57.1-42.6178.4-172.1175.8-178.1-152-4111.9Q329 V372 W373 D375 R399 L400 Q407 C408Q329-R403 VanDerWaalsContact OE1-NH2 3.16Å; V372-R403 WeakPolarHBondContact O-CD 3.43Å; V372-R403 PolarHBondContact O-NH1 3.43Å; W373-R403 HydrophobicContact CE3-CG 4.29Å; W373-R403 HydrophobicContact CH2-CB 4.1Å; W373-R403 HydrophobicContact CH2-CG 4.13Å; W373-R403 HydrophobicContact CZ3-CB 4.22Å; W373-R403 HydrophobicContact CZ3-CG 3.73Å; D375-R403 VanDerWaalsContact CG-NH2 3.31Å; D375-R403 IonicContact OD1-CZ 2.96Å; D375-R403 VanDerWaalsContact OD1-CZ 3.26Å; D375-R403 IonicContact OD1-NH1 3.03Å; D375-R403 PolarHBondContact OD1-NH1 2.87Å; D375-R403 IonicContact OD1-NH2 2.63Å; D375-R403 PolarHBondContact OD1-NH2 2.91Å; D375-R403 IonicContact OD2-CZ 3.49Å; D375-R403 IonicContact OD2-NH1 2.66Å; D375-R403 IonicContact OD2-NH2 3.28Å; D375-R403 PolarHBondContact OD2-NH2 3.18Å; R399-R403 PolarHBondContact O-N 2.82Å; L400-R403 PolarHBondContact O-N 2.62Å; R403-Q407 PolarHBondContact O-N 3.32Å; R403-C408 HydrophobicContact CG-CB 3.87Å; R403-C408 PolarHBondContact O-N 2.96Å; R403-C408 PolarHBondContact O-SG 3Å
404R98.6Very high98.1Very high172 Ų17263 Ų6365%0.64933%0.327SS*.Hα-helixtrans-65.9-46.8174.3-71.9-171.6-65.2-902.3112.4L400 G401 L402 L406 Q407L400-R404 PolarHBondContact O-N 3.25Å; L400-R404 VanDerWaalsContact O-N 3.1Å; G401-R404 PolarHBondContact O-N 3.35Å; L402-R404 VanDerWaalsContact C-N 3.29Å; L402-R404 PolarHBondContact O-N 3.47Å; R404-L406 VanDerWaalsContact C-N 3.3Å; R404-L406 PolarHBondContact O-N 2.67Å; R404-Q407 PolarHBondContact O-N 3.11Å
405K98.4Very high98Very high173 Ų17361.6 Ų61.675%0.75231%0.313SS*.Hα-helixtrans-58.5-41.9-179.2-180-176.7175.4-174.10111.9G401 L402 Q407G401-K405 WeakPolarHBondContact O-CB 3.44Å; G401-K405 PolarHBondContact O-N 2.91Å; L402-K405 PolarHBondContact O-N 2.73Å; L402-K405 VanDerWaalsContact O-N 3.17Å; K405-Q407 VanDerWaalsContact C-N 3.25Å; K405-Q407 PolarHBondContact O-N 3.25Å
406L98.4Very high97.9Very high55 Ų5561.7 Ų61.729%0.28831%0.31SS..THydrogen-bonded Turntrans-82-1.9179.9-66177.4000113.4C330 L402 R404 C408C330-L406 HydrophobicContact CB-CB 4.34Å; C330-L406 HydrophobicContact CB-CD1 4.24Å; L402-L406 HydrophobicContact CD1-CD1 3.75Å; L402-L406 HydrophobicContact CD1-CG 4.09Å; L402-L406 HydrophobicContact CG-CD1 3.97Å; L402-L406 WeakPolarHBondContact O-CG 3.32Å; L402-L406 PolarHBondContact O-N 2.78Å; R404-L406 VanDerWaalsContact C-N 3.3Å; R404-L406 PolarHBondContact O-N 2.67Å; L406-C408 WeakPolarHBondContact CB-SG 3.14Å; L406-C408 PolarHBondContact O-N 3.12Å
407Q98.5Very high97.8Very high173 Ų17365 Ų6581%0.80833%0.328SS*.THydrogen-bonded Turntrans5243.9-177.9-58.6-178.5-13.800112.3R403 R404 K405R403-Q407 PolarHBondContact O-N 3.32Å; R404-Q407 PolarHBondContact O-N 3.11Å; K405-Q407 VanDerWaalsContact C-N 3.25Å; K405-Q407 PolarHBondContact O-N 3.25Å
408C98.7Very high97.8Very high21 Ų2162 Ų6214%0.14231%0.306CS..PPolyproline II helixtrans-67146.1-176.1-47.50000111.2Q329 C330 W373 R403 L406Q329-C408 HydrophobicContact CB-CB 4.12Å; Q329-C408 CarbonylContact O-C 3.59Å; Q329-C408 VanDerWaalsContact O-CA 3.27Å; Q329-C408 WeakPolarHBondContact O-CA 3.39Å; C330-C408 HydrophobicContact CB-CB 4.06Å; C330-C408 WeakPolarHBondContact CB-SG 3.5Å; C330-C408 WeakPolarHBondContact SG-CB 3.4Å; C330-C408 CovalentContact SG-SG 2.04Å; C330-C408 PolarHBondContact SG-SG 3.24Å; W373-C408 HydrophobicContact CZ3-CB 4.22Å; R403-C408 HydrophobicContact CG-CB 3.87Å; R403-C408 PolarHBondContact O-N 2.96Å; R403-C408 PolarHBondContact O-SG 3Å; L406-C408 WeakPolarHBondContact CB-SG 3.14Å; L406-C408 PolarHBondContact O-N 3.12Å
409K98.8Very high97.7Very high90 Ų9058.9 Ų58.939%0.39128%0.284SS..PPolyproline II helixtrans-68.3156.1179.1-59.6-177.1-174.5-67.40111.2Q329 W413Q329-K409 PolarHBondContact O-N 3.21Å; Q329-K409 PolarHBondContact OE1-O 2.98Å; K409-W413 HydrophobicContact CB-CB 4.17Å; K409-W413 HydrophobicContact CB-CD2 3.84Å; K409-W413 HydrophobicContact CB-CE3 3.71Å; K409-W413 HydrophobicContact CB-CG 4.01Å; K409-W413 HydrophobicContact CB-CZ3 4.44Å; K409-W413 HydrophobicContact CD-CD2 3.22Å; K409-W413 HydrophobicContact CD-CE3 3.51Å; K409-W413 HydrophobicContact CD-CG 3.78Å; K409-W413 HydrophobicContact CD-CH2 3.79Å; K409-W413 HydrophobicContact CD-CZ2 3.51Å; K409-W413 HydrophobicContact CD-CZ3 3.78Å; K409-W413 HydrophobicContact CG-CD2 4.16Å; K409-W413 HydrophobicContact CG-CE3 4.25Å; K409-W413 HydrophobicContact CG-CG 4.46Å
410P98.3Very high97.3Very high62 Ų6259.3 Ų59.340%0.40329%0.292SS..PPolyproline II helixtrans-69.6161.9175.929.7-35.6000112.1D375 S412 W413 Y414D375-P410 WeakPolarHBondContact OD2-CA 3.46Å; P410-S412 VanDerWaalsContact C-N 3.27Å; P410-S412 PolarHBondContact O-N 3.2Å; P410-W413 HydrophobicContact CG-CB 4.08Å; P410-W413 WeakPolarHBondContact O-CB 3.4Å; P410-W413 PolarHBondContact O-N 3.48Å; P410-W413 VanDerWaalsContact O-N 3.13Å; P410-Y414 PolarHBondContact O-N 3.39Å
411F97.8Very high96.9Very high0 Ų059.5 Ų59.50%029%0.293CS..Hα-helixtrans-66.4-29.5178.6-163.7-110.1000112.9F259 F325 W373 M374 D375 F377 W413 Y414 L415F259-F411 HydrophobicContact CE2-CZ 4.43Å; F259-F411 AromaticContact CZ-CZ 3.86Å; F259-F411 HydrophobicContact CZ-CZ 3.86Å; F325-F411 HydrophobicContact CD1-CE2 4.22Å; F325-F411 AromaticContact CD2-CE2 3.93Å; F325-F411 HydrophobicContact CD2-CE2 3.93Å; F325-F411 HydrophobicContact CE1-CE2 4.16Å; F325-F411 AromaticContact CE2-CE2 3.85Å; F325-F411 HydrophobicContact CE2-CE2 3.85Å; F325-F411 HydrophobicContact CE2-CZ 4.22Å; F325-F411 HydrophobicContact CG-CE2 4.13Å; F325-F411 AromaticContact CZ-CE2 3.97Å; F325-F411 HydrophobicContact CZ-CE2 3.97Å; F325-F411 HydrophobicContact CZ-CZ 4.13Å; W373-F411 WeakPolarHBondContact O-CB 3.22Å; W373-F411 WeakPolarHBondContact O-CD2 3.48Å; M374-F411 HydrophobicContact CB-CD1 4.4Å; M374-F411 HydrophobicContact CB-CG 4.44Å; M374-F411 HydrophobicContact CE-CE1 4.32Å; M374-F411 HydrophobicContact CE-CZ 4.43Å; M374-F411 HydrophobicContact CG-CD2 4.37Å; M374-F411 HydrophobicContact CG-CE1 4.28Å; M374-F411 HydrophobicContact CG-CE2 4.08Å; M374-F411 HydrophobicContact CG-CZ 4.01Å; D375-F411 HydrophobicContact CB-CB 4.45Å; D375-F411 PolarHBondContact OD2-N 2.86Å; F377-F411 HydrophobicContact CB-CD1 3.71Å; F377-F411 HydrophobicContact CB-CE1 3.96Å; F377-F411 HydrophobicContact CD2-CB 4.27Å; F377-F411 AromaticContact CD2-CD1 3.65Å; F377-F411 HydrophobicContact CD2-CD1 3.65Å; F377-F411 HydrophobicContact CD2-CG 4.45Å; F377-F411 HydrophobicContact CE2-CD1 4.45Å; F377-F411 AromaticContact CG-CD1 3.72Å; F377-F411 HydrophobicContact CG-CD1 3.72Å; F377-F411 HydrophobicContact CG-CE1 4.23Å; F411-W413 VanDerWaalsContact C-N 3.29Å; F411-W413 PolarHBondContact O-N 2.68Å; F411-Y414 AromaticContact CD2-CD1 3.99Å; F411-Y414 HydrophobicContact CD2-CD1 3.99Å; F411-Y414 HydrophobicContact CD2-CG 4.35Å; F411-Y414 AromaticContact CE2-CD1 3.62Å; F411-Y414 HydrophobicContact CE2-CD1 3.62Å; F411-Y414 HydrophobicContact CE2-CE1 4Å; F411-Y414 HydrophobicContact CE2-CG 4.33Å; F411-Y414 HydrophobicContact CZ-CD1 4.07Å; F411-Y414 HydrophobicContact CZ-CE1 4.29Å; F411-Y414 WeakPolarHBondContact O-CA 3.46Å; F411-Y414 WeakPolarHBondContact O-CB 3.35Å; F411-Y414 PolarHBondContact O-N 2.8Å; F411-Y414 VanDerWaalsContact O-N 3.07Å; F411-L415 HydrophobicContact CD1-CD1 3.95Å; F411-L415 HydrophobicContact CD1-CG 4.02Å; F411-L415 HydrophobicContact CE1-CD1 3.82Å; F411-L415 HydrophobicContact CE1-CD2 3.98Å; F411-L415 HydrophobicContact CE1-CG 3.83Å; F411-L415 HydrophobicContact CZ-CD2 4.27Å; F411-L415 HydrophobicContact CZ-CG 4.47Å; F411-L415 PolarHBondContact O-N 2.92Å
412S95.9Very high96.4Very high45 Ų4558.7 Ų58.732%0.31528%0.283SS..Hα-helixtrans-56.3-43.6170.551.90000111.8P410 Y414 L415 E416P410-S412 VanDerWaalsContact C-N 3.27Å; P410-S412 PolarHBondContact O-N 3.2Å; S412-Y414 VanDerWaalsContact C-N 3.33Å; S412-Y414 PolarHBondContact O-N 2.94Å; S412-L415 PolarHBondContact O-N 2.99Å; S412-E416 WeakPolarHBondContact O-CB 3.49Å; S412-E416 PolarHBondContact O-N 3.33Å
413W97.7Very high95.6Very high64 Ų6458.4 Ų58.424%0.24228%0.281CS..Hα-helixtrans-62.3-40.8173.817591.3000111.5W328 K409 P410 F411 E416 N417 V418W328-W413 WeakPolarHBondContact O-CZ3 3.36Å; K409-W413 HydrophobicContact CB-CB 4.17Å; K409-W413 HydrophobicContact CB-CD2 3.84Å; K409-W413 HydrophobicContact CB-CE3 3.71Å; K409-W413 HydrophobicContact CB-CG 4.01Å; K409-W413 HydrophobicContact CB-CZ3 4.44Å; K409-W413 HydrophobicContact CD-CD2 3.22Å; K409-W413 HydrophobicContact CD-CE3 3.51Å; K409-W413 HydrophobicContact CD-CG 3.78Å; K409-W413 HydrophobicContact CD-CH2 3.79Å; K409-W413 HydrophobicContact CD-CZ2 3.51Å; K409-W413 HydrophobicContact CD-CZ3 3.78Å; K409-W413 HydrophobicContact CG-CD2 4.16Å; K409-W413 HydrophobicContact CG-CE3 4.25Å; K409-W413 HydrophobicContact CG-CG 4.46Å; P410-W413 HydrophobicContact CG-CB 4.08Å; P410-W413 WeakPolarHBondContact O-CB 3.4Å; P410-W413 PolarHBondContact O-N 3.48Å; P410-W413 VanDerWaalsContact O-N 3.13Å; F411-W413 VanDerWaalsContact C-N 3.29Å; F411-W413 PolarHBondContact O-N 2.68Å; W413-E416 PolarHBondContact O-N 3.43Å; W413-N417 HydrophobicContact CD2-CB 4.17Å; W413-N417 HydrophobicContact CH2-CB 4.42Å; W413-N417 HydrophobicContact CZ2-CB 3.83Å; W413-N417 VanDerWaalsContact NE1-CG 3.31Å; W413-N417 PolarHBondContact NE1-ND2 2.77Å; W413-N417 VanDerWaalsContact O-CB 3.31Å; W413-N417 WeakPolarHBondContact O-CB 3.28Å; W413-N417 PolarHBondContact O-N 3.24Å; W413-N417 PolarHBondContact O-ND2 2.84Å; W413-V418 HydrophobicContact CH2-CG2 3.98Å; W413-V418 HydrophobicContact CZ3-CG2 3.83Å
414Y98.2Very high95Very high0 Ų057 Ų570%028%0.277CS..Hα-helixtrans-61.1-47.8177.5170.7-90.8000111.7F259 P289 F325 W328 P410 F411 S412 E416 V418 Y419F259-Y414 HydrophobicContact CE1-CE1 4Å; F259-Y414 HydrophobicContact CZ-CE1 4.32Å; P289-Y414 WeakPolarHBondContact CB-OH 3.37Å; P289-Y414 PolarHBondContact O-OH 3.38Å; F325-Y414 HydrophobicContact CD1-CE1 4.09Å; F325-Y414 HydrophobicContact CD1-CE2 4.17Å; F325-Y414 AromaticContact CD1-CZ 3.75Å; F325-Y414 AromaticContact CE1-CE1 3.99Å; F325-Y414 HydrophobicContact CE1-CE1 3.99Å; F325-Y414 AromaticContact CE1-CZ 3.89Å; W328-Y414 HydrophobicContact CB-CD2 3.73Å; W328-Y414 HydrophobicContact CB-CE2 3.86Å; W328-Y414 AromaticContact CD1-CE2 3.77Å; W328-Y414 HydrophobicContact CG-CD2 4.27Å; W328-Y414 AromaticContact CG-CE2 3.98Å; W328-Y414 HydrophobicContact CG-CE2 3.98Å; P410-Y414 PolarHBondContact O-N 3.39Å; F411-Y414 AromaticContact CD2-CD1 3.99Å; F411-Y414 HydrophobicContact CD2-CD1 3.99Å; F411-Y414 HydrophobicContact CD2-CG 4.35Å; F411-Y414 AromaticContact CE2-CD1 3.62Å; F411-Y414 HydrophobicContact CE2-CD1 3.62Å; F411-Y414 HydrophobicContact CE2-CE1 4Å; F411-Y414 HydrophobicContact CE2-CG 4.33Å; F411-Y414 HydrophobicContact CZ-CD1 4.07Å; F411-Y414 HydrophobicContact CZ-CE1 4.29Å; F411-Y414 WeakPolarHBondContact O-CA 3.46Å; F411-Y414 WeakPolarHBondContact O-CB 3.35Å; F411-Y414 PolarHBondContact O-N 2.8Å; F411-Y414 VanDerWaalsContact O-N 3.07Å; S412-Y414 VanDerWaalsContact C-N 3.33Å; S412-Y414 PolarHBondContact O-N 2.94Å; Y414-E416 VanDerWaalsContact C-N 3.27Å; Y414-E416 PolarHBondContact O-N 2.97Å; Y414-V418 HydrophobicContact CD2-CB 3.82Å; Y414-V418 HydrophobicContact CD2-CG1 4.06Å; Y414-V418 HydrophobicContact CD2-CG2 3.98Å; Y414-V418 HydrophobicContact CE2-CB 3.93Å; Y414-V418 HydrophobicContact CE2-CG1 3.67Å; Y414-V418 HydrophobicContact CE2-CG2 4.43Å; Y414-V418 HydrophobicContact CG-CB 4.4Å; Y414-V418 WeakPolarHBondContact O-CA 3.37Å; Y414-V418 VanDerWaalsContact O-CB 3.29Å; Y414-V418 WeakPolarHBondContact O-CB 3.37Å; Y414-V418 PolarHBondContact O-N 3.45Å; Y414-Y419 PolarHBondContact O-N 3.25Å
415L95.6Very high94.3Very high0 Ų049.1 Ų49.10%025%0.247CC..Hα-helixtrans-64.9-30.9176.7-67179.3000112.4F377 F411 S412 Y419 P420 I424 R426F377-L415 HydrophobicContact CD1-CD1 3.63Å; F377-L415 HydrophobicContact CE1-CD1 3.53Å; F377-L415 HydrophobicContact CE2-CD1 4.45Å; F377-L415 HydrophobicContact CG-CD1 4.15Å; F377-L415 HydrophobicContact CZ-CD1 3.97Å; F411-L415 HydrophobicContact CD1-CD1 3.95Å; F411-L415 HydrophobicContact CD1-CG 4.02Å; F411-L415 HydrophobicContact CE1-CD1 3.82Å; F411-L415 HydrophobicContact CE1-CD2 3.98Å; F411-L415 HydrophobicContact CE1-CG 3.83Å; F411-L415 HydrophobicContact CZ-CD2 4.27Å; F411-L415 HydrophobicContact CZ-CG 4.47Å; F411-L415 PolarHBondContact O-N 2.92Å; S412-L415 PolarHBondContact O-N 2.99Å; L415-Y419 CarbonylContact O-C 3.49Å; L415-Y419 VanDerWaalsContact O-O 3.07Å; L415-P420 WeakPolarHBondContact O-CA 3.48Å; L415-I424 HydrophobicContact CD1-CG2 4.33Å; L415-R426 HydrophobicContact CB-CG 4.03Å; L415-R426 HydrophobicContact CD1-CG 4.29Å
416E94.4Very high93.6Very high114 Ų11445.5 Ų45.553%0.53323%0.229SC..Hα-helixtrans-79.5-40.4178.9-179.2174.3-153.600113.3S412 W413 Y414S412-E416 WeakPolarHBondContact O-CB 3.49Å; S412-E416 PolarHBondContact O-N 3.33Å; W413-E416 PolarHBondContact O-N 3.43Å; Y414-E416 VanDerWaalsContact C-N 3.27Å; Y414-E416 PolarHBondContact O-N 2.97Å
417N96.3Very high92.9Very high85 Ų8548.9 Ų48.946%0.45524%0.243SC..Hα-helixtrans-105.2-27.1-166.4-66.5-98.2000113.3W413W413-N417 HydrophobicContact CD2-CB 4.17Å; W413-N417 HydrophobicContact CH2-CB 4.42Å; W413-N417 HydrophobicContact CZ2-CB 3.83Å; W413-N417 VanDerWaalsContact NE1-CG 3.31Å; W413-N417 PolarHBondContact NE1-ND2 2.77Å; W413-N417 VanDerWaalsContact O-CB 3.31Å; W413-N417 WeakPolarHBondContact O-CB 3.28Å; W413-N417 PolarHBondContact O-N 3.24Å; W413-N417 PolarHBondContact O-ND2 2.84Å
418V97.1Very high92.5Very high8 Ų845.6 Ų45.65%0.04822%0.224CC..THydrogen-bonded Turntrans-107-46.8-176.1-178.70000110.7R273 P289 W328 W413 Y414 P420R273-V418 PolarHBondContact NH2-O 3.4Å; P289-V418 HydrophobicContact CB-CG1 4.46Å; W328-V418 HydrophobicContact CB-CG1 4.49Å; W328-V418 HydrophobicContact CB-CG2 4.08Å; W328-V418 HydrophobicContact CD2-CB 4.28Å; W328-V418 HydrophobicContact CD2-CG1 3.53Å; W328-V418 HydrophobicContact CD2-CG2 3.71Å; W328-V418 VanDerWaalsContact CE2-CG1 3.44Å; W328-V418 HydrophobicContact CE3-CG1 4.16Å; W328-V418 HydrophobicContact CE3-CG2 3.62Å; W328-V418 HydrophobicContact CG-CB 4.42Å; W328-V418 HydrophobicContact CG-CG1 3.69Å; W328-V418 HydrophobicContact CG-CG2 3.95Å; W328-V418 HydrophobicContact CZ2-CG1 3.99Å; W328-V418 HydrophobicContact CZ3-CG2 4.26Å; W413-V418 HydrophobicContact CH2-CG2 3.98Å; W413-V418 HydrophobicContact CZ3-CG2 3.83Å; Y414-V418 HydrophobicContact CD2-CB 3.82Å; Y414-V418 HydrophobicContact CD2-CG1 4.06Å; Y414-V418 HydrophobicContact CD2-CG2 3.98Å; Y414-V418 HydrophobicContact CE2-CB 3.93Å; Y414-V418 HydrophobicContact CE2-CG1 3.67Å; Y414-V418 HydrophobicContact CE2-CG2 4.43Å; Y414-V418 HydrophobicContact CG-CB 4.4Å; Y414-V418 WeakPolarHBondContact O-CA 3.37Å; Y414-V418 VanDerWaalsContact O-CB 3.29Å; Y414-V418 WeakPolarHBondContact O-CB 3.37Å; Y414-V418 PolarHBondContact O-N 3.45Å; V418-P420 WeakPolarHBondContact O-CD 3.46Å
419Y95.8Very high92.2Very high1 Ų151 Ų510%0.00425%0.245CC..  trans-126.957.3-176.3-160.2-161.9000114.3Y256 F259 Y268 P289 Y414 L415 D421 S422Y256-Y419 WeakPolarHBondContact OH-CE2 3.42Å; F259-Y419 HydrophobicContact CD1-CD1 4.15Å; F259-Y419 AromaticContact CD1-CE1 3.89Å; F259-Y419 HydrophobicContact CD1-CE1 3.89Å; F259-Y419 AromaticContact CE1-CD1 3.64Å; F259-Y419 HydrophobicContact CE1-CD1 3.64Å; F259-Y419 AromaticContact CE1-CE1 3.81Å; F259-Y419 HydrophobicContact CE1-CE1 3.81Å; F259-Y419 HydrophobicContact CZ-CD1 4.36Å; Y268-Y419 WeakPolarHBondContact CD2-OH 3.42Å; Y268-Y419 WeakPolarHBondContact CE2-OH 3.27Å; P289-Y419 HydrophobicContact CB-CD1 3.93Å; P289-Y419 HydrophobicContact CB-CD2 4.06Å; P289-Y419 HydrophobicContact CB-CE1 4.49Å; P289-Y419 HydrophobicContact CB-CG 3.7Å; P289-Y419 HydrophobicContact CG-CD1 4.22Å; P289-Y419 HydrophobicContact CG-CD2 3.42Å; P289-Y419 VanDerWaalsContact CG-CD2 3.42Å; P289-Y419 HydrophobicContact CG-CE2 3.96Å; P289-Y419 HydrophobicContact CG-CG 3.57Å; Y414-Y419 PolarHBondContact O-N 3.25Å; L415-Y419 CarbonylContact O-C 3.49Å; L415-Y419 VanDerWaalsContact O-O 3.07Å; Y419-D421 HydrophobicContact CE2-CB 4.48Å; Y419-D421 PolarHBondContact O-N 3.27Å; Y419-S422 WeakPolarHBondContact O-CB 3.27Å; Y419-S422 PolarHBondContact O-N 2.88Å
420P91.6Very high91.9Very high45 Ų4547 Ų4729%0.29223%0.228SC..THydrogen-bonded Turntrans-62.2-23.717826.1-35.9000113.7L415 V418 S422L415-P420 WeakPolarHBondContact O-CA 3.48Å; V418-P420 WeakPolarHBondContact O-CD 3.46Å; P420-S422 PolarHBondContact O-N 2.98Å
421D88.1Confident91.6Very high58 Ų5844.3 Ų44.331%0.3121%0.211SC..THydrogen-bonded Turntrans-85.38.5176.7-38.1-84.7000112.7R273 Y419 Q423R273-D421 IonicContact CZ-OD2 2.9Å; R273-D421 VanDerWaalsContact CZ-OD2 3.28Å; R273-D421 IonicContact NE-OD2 2.7Å; R273-D421 PolarHBondContact NE-OD2 3.31Å; R273-D421 IonicContact NH2-OD2 2.65Å; R273-D421 PolarHBondContact NH2-OD2 3.21Å; Y419-D421 HydrophobicContact CE2-CB 4.48Å; Y419-D421 PolarHBondContact O-N 3.27Å; D421-Q423 PolarHBondContact O-NE2 2.83Å
422S88.6Confident91.3Very high10 Ų1044.3 Ų44.37%0.0721%0.211CC..  trans-57.2142.5178.6-174.50000111.3Y419 P420 I424Y419-S422 WeakPolarHBondContact O-CB 3.27Å; Y419-S422 PolarHBondContact O-N 2.88Å; P420-S422 PolarHBondContact O-N 2.98Å; S422-I424 PolarHBondContact O-N 2.79Å; S422-I424 PolarHBondContact OG-N 3.46Å; S422-I424 VanDerWaalsContact OG-N 3.16Å
423Q82.6Confident91.2Very high17 Ų1743.2 Ų43.28%0.07920%0.201CC..SBendtrans-69.8-20.6171.9-61-52.8-51.700112W261 Y268 D421 P425 R477 D480W261-Q423 PolarHBondContact NE1-O 3.2Å; Y268-Q423 HydrophobicContact CE1-CG 4.45Å; D421-Q423 PolarHBondContact O-NE2 2.83Å; Q423-P425 WeakPolarHBondContact O-CD 3.38Å; Q423-R477 PolarHBondContact O-NH1 3.27Å; Q423-D480 VanDerWaalsContact CG-OD1 3.31Å; Q423-D480 WeakPolarHBondContact CG-OD1 3.17Å
424I86.2Confident91.2Very high5 Ų540.2 Ų40.23%0.02619%0.19CC..SBendtrans-68.7116.4174.8-62.7-178.7000108.8F259 F377 F380 L415 S422 R426F259-I424 HydrophobicContact CD2-CD1 4.32Å; F259-I424 HydrophobicContact CE2-CD1 3.48Å; F259-I424 VanDerWaalsContact CE2-CD1 3.48Å; F259-I424 HydrophobicContact CZ-CD1 4.17Å; F377-I424 HydrophobicContact CD1-CG2 4.24Å; F380-I424 HydrophobicContact CD2-CG2 4.46Å; F380-I424 HydrophobicContact CG-CG2 4.37Å; L415-I424 HydrophobicContact CD1-CG2 4.33Å; S422-I424 PolarHBondContact O-N 2.79Å; S422-I424 PolarHBondContact OG-N 3.46Å; S422-I424 VanDerWaalsContact OG-N 3.16Å; I424-R426 PolarHBondContact O-N 2.89Å
425P82.9Confident91.2Very high6 Ų642.2 Ų42.24%0.03920%0.197CC..  trans-71.5120.7-177.228.7-32.1000110.3W261 F380 Q423 H427 Y428 S469 T471W261-P425 HydrophobicContact CZ2-CG 4.35Å; F380-P425 HydrophobicContact CE2-CG 3.56Å; F380-P425 HydrophobicContact CZ-CG 3.9Å; Q423-P425 WeakPolarHBondContact O-CD 3.38Å; P425-H427 VanDerWaalsContact C-N 3.34Å; P425-Y428 HydrophobicContact CB-CD1 4.28Å; P425-Y428 HydrophobicContact CG-CD1 4.03Å; P425-S469 WeakPolarHBondContact CG-OG 3.23Å; P425-T471 HydrophobicContact CB-CG2 3.87Å
426R83.8Confident91.3Very high97 Ų9742.2 Ų42.237%0.36620%0.197SC..SBendtrans-68.5-35.3172.9-66.9-173.4-69.7140.2-3.8112.5L415 I424L415-R426 HydrophobicContact CB-CG 4.03Å; L415-R426 HydrophobicContact CD1-CG 4.29Å; I424-R426 PolarHBondContact O-N 2.89Å
427H85.1Confident91.4Very high125 Ų12538.2 Ų38.258%0.57918%0.18SC*.SBendtrans-131.5122.1-179.5-56-58.6000109.3P425 A472P425-H427 VanDerWaalsContact C-N 3.34Å; H427-A472 HydrophobicContact CB-CB 3.73Å; H427-A472 PolarHBondContact O-N 2.79Å
428Y89.2Confident91.4Very high104 Ų10438.4 Ų38.441%0.40818%0.179SC..EExtended strand (participates in β ladder)trans-142.2148.4178.557.3-95.9000110.1P425 S430 L431 S469 Y470P425-Y428 HydrophobicContact CB-CD1 4.28Å; P425-Y428 HydrophobicContact CG-CD1 4.03Å; Y428-S430 WeakPolarHBondContact CD2-O 3.4Å; Y428-L431 HydrophobicContact CD2-CB 3.83Å; Y428-L431 HydrophobicContact CE2-CB 3.5Å; Y428-L431 HydrophobicContact CE2-CD2 4.43Å; Y428-S469 VanDerWaalsContact CB-OG 3.28Å; Y428-S469 WeakPolarHBondContact CB-OG 3.37Å; Y428-Y470 CarbonylContact C-O 3.57Å; Y428-Y470 WeakPolarHBondContact CA-O 3.46Å; Y428-Y470 WeakPolarHBondContact CB-O 3.33Å
429F92.2Very high91.3Very high134 Ų13440.3 Ų40.359%0.58819%0.19SC*.EExtended strand (participates in β ladder)trans-82.7-32.8173.6-59.2-65.9000111.2Y470 T471F429-Y470 HydrophobicContact CB-CD1 3.74Å; F429-Y470 HydrophobicContact CB-CE1 4.31Å; F429-Y470 AromaticContact CD2-CD1 3.58Å; F429-Y470 HydrophobicContact CD2-CD1 3.58Å; F429-Y470 AromaticContact CD2-CE1 3.48Å; F429-Y470 HydrophobicContact CD2-CE1 3.48Å; F429-Y470 VanDerWaalsContact CD2-CE1 3.48Å; F429-Y470 HydrophobicContact CD2-CG 4.36Å; F429-Y470 HydrophobicContact CE2-CE1 4.15Å; F429-Y470 HydrophobicContact CG-CD1 4.08Å; F429-Y470 HydrophobicContact CG-CE1 4.2Å; F429-Y470 PolarHBondContact N-O 2.84Å; F429-T471 WeakPolarHBondContact CD2-O 3.48Å; F429-T471 WeakPolarHBondContact CE2-O 3.34Å
430S92.2Very high91.3Very high6 Ų644.6 Ų44.64%0.04221%0.213CC..EExtended strand (participates in β ladder)trans-145.5152.4174.473.40000112.7Y428 S469 Y470 L550 N552Y428-S430 WeakPolarHBondContact CD2-O 3.4Å; S430-S469 CarbonylContact O-C 3.59Å; S430-S469 VanDerWaalsContact O-CA 3.27Å; S430-S469 WeakPolarHBondContact O-CA 3.47Å; S430-S469 PolarHBondContact O-OG 3.48Å; S430-Y470 PolarHBondContact N-O 3.13Å; S430-Y470 PolarHBondContact O-N 3.13Å; S430-Y470 WeakPolarHBondContact OG-CB 3.45Å; S430-L550 WeakPolarHBondContact OG-CD2 3.38Å; S430-N552 WeakPolarHBondContact CA-OD1 3.3Å; S430-N552 WeakPolarHBondContact CB-OD1 3.21Å
431L91.8Very high91.5Very high6 Ų644.8 Ų44.83%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-141.9102.2171.2177.266000109F380 I383 Y428 V467 F468 N552 V553F380-L431 HydrophobicContact CD2-CD1 4.13Å; F380-L431 HydrophobicContact CD2-CD2 3.33Å; F380-L431 HydrophobicContact CD2-CG 4.35Å; F380-L431 HydrophobicContact CE1-CD1 4.48Å; F380-L431 HydrophobicContact CE2-CD1 3.39Å; F380-L431 HydrophobicContact CE2-CD2 3.49Å; F380-L431 VanDerWaalsContact CE2-CD2 3.49Å; F380-L431 HydrophobicContact CE2-CG 4.04Å; F380-L431 HydrophobicContact CG-CD2 4.09Å; F380-L431 HydrophobicContact CZ-CD1 3.59Å; F380-L431 HydrophobicContact CZ-CD2 4.34Å; I383-L431 HydrophobicContact CD1-CD2 3.89Å; I383-L431 HydrophobicContact CD1-CG 4.46Å; Y428-L431 HydrophobicContact CD2-CB 3.83Å; Y428-L431 HydrophobicContact CE2-CB 3.5Å; Y428-L431 HydrophobicContact CE2-CD2 4.43Å; L431-V467 HydrophobicContact CD1-CG1 3.73Å; L431-V467 HydrophobicContact CG-CG1 4.34Å; L431-F468 WeakPolarHBondContact CA-O 3.3Å; L431-N552 PolarHBondContact N-OD1 3.12Å; L431-N552 VanDerWaalsContact O-CA 3.28Å; L431-N552 WeakPolarHBondContact O-CA 3.25Å; L431-V553 PolarHBondContact O-N 3.23Å
432G92.1Very high91.9Very high1 Ų142 Ų421%0.0120%0.195CC..EExtended strand (participates in β ladder)trans160.8-146.7-178.600000113.7F468 R551G432-F468 PolarHBondContact N-O 2.96Å; G432-F468 PolarHBondContact O-N 3.46Å; G432-R551 CarbonylContact C-O 3.58Å; G432-R551 VanDerWaalsContact CA-O 3.29Å; G432-R551 WeakPolarHBondContact CA-O 3.31Å
433E94.3Very high92.3Very high22 Ų2241.5 Ų41.510%0.10319%0.192CC..EExtended strand (participates in β ladder)trans-78.4141.5-17768.7178-154.200111.6R435 Q466 R551E433-R435 IonicContact OE1-NH1 2.68Å; E433-R435 PolarHBondContact OE1-NH1 2.99Å; E433-Q466 WeakPolarHBondContact CA-O 3.44Å; E433-R551 HydrophobicContact CG-CB 3.66Å; E433-R551 HydrophobicContact CG-CG 4.49Å; E433-R551 PolarHBondContact N-O 3Å; E433-R551 PolarHBondContact O-N 2.72Å; E433-R551 WeakPolarHBondContact OE1-CD 3.19Å; E433-R551 IonicContact OE1-NH1 3.87Å; E433-R551 PolarHBondContact OE1-NH1 2.99Å
434I97.3Very high93Very high1 Ų141 Ų411%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-110.5103.9170.1-62176.4000106.9C442 L443 F468 I476 L515 W548 L550I434-C442 CarbonylContact O-C 3.51Å; I434-C442 VanDerWaalsContact O-CA 3.28Å; I434-C442 WeakPolarHBondContact O-CA 3.21Å; I434-L443 HydrophobicContact CB-CB 4.26Å; I434-L443 HydrophobicContact CB-CD1 3.9Å; I434-L443 HydrophobicContact CB-CG 4.06Å; I434-L443 HydrophobicContact CD1-CD1 4.03Å; I434-L443 HydrophobicContact CG2-CD1 3.69Å; I434-L443 HydrophobicContact CG2-CG 3.98Å; I434-L443 PolarHBondContact O-N 3.12Å; I434-F468 HydrophobicContact CD1-CB 3.58Å; I434-F468 HydrophobicContact CD1-CG 4.12Å; I434-F468 HydrophobicContact CG1-CB 4.15Å; I434-I476 HydrophobicContact CD1-CG2 3.65Å; I434-L515 HydrophobicContact CG2-CD1 4.03Å; I434-W548 HydrophobicContact CG2-CB 4.14Å; I434-W548 HydrophobicContact CG2-CD2 4.34Å; I434-W548 HydrophobicContact CG2-CE3 3.83Å; I434-W548 HydrophobicContact CG2-CG 4.5Å; I434-L550 HydrophobicContact CG1-CD1 4.17Å; I434-L550 HydrophobicContact CG1-CG 4.27Å; I434-L550 HydrophobicContact CG2-CD1 4.11Å
435R97.5Very high93.4Very high42 Ų4241.7 Ų41.716%0.15819%0.193CC..EExtended strand (participates in β ladder)trans-110126.8-166.5179.9176.5-166.61411.6112.3E433 N440 Q441 W548 L549E433-R435 IonicContact OE1-NH1 2.68Å; E433-R435 PolarHBondContact OE1-NH1 2.99Å; R435-N440 PolarHBondContact NE-OD1 2.9Å; R435-N440 PolarHBondContact NH2-ND2 2.81Å; R435-N440 PolarHBondContact NH2-OD1 2.71Å; R435-Q441 WeakPolarHBondContact CA-O 3.47Å; R435-W548 CarbonylContact O-C 3.52Å; R435-W548 WeakPolarHBondContact O-CA 3.27Å; R435-L549 HydrophobicContact CB-CB 4.39Å; R435-L549 PolarHBondContact N-O 3.29Å; R435-L549 PolarHBondContact O-N 3.26Å
436N97.6Very high93.9Very high0 Ų043.6 Ų43.60%020%0.203CC..EExtended strand (participates in β ladder)trans-71.7136.1174.6-169.8-94.5000111.5E438 T439 N440 Q441 S545 W548N436-E438 WeakPolarHBondContact OD1-CB 3.41Å; N436-E438 PolarHBondContact OD1-N 3.36Å; N436-T439 WeakPolarHBondContact CB-OG1 3.27Å; N436-T439 PolarHBondContact OD1-N 3.01Å; N436-T439 PolarHBondContact OD1-OG1 2.81Å; N436-N440 VanDerWaalsContact O-CA 3.3Å; N436-N440 WeakPolarHBondContact O-CA 3.44Å; N436-N440 PolarHBondContact O-N 3.45Å; N436-N440 VanDerWaalsContact O-N 3.12Å; N436-Q441 PolarHBondContact N-O 3.14Å; N436-S545 PolarHBondContact ND2-O 2.99Å; N436-W548 HydrophobicContact CB-CD2 4.43Å; N436-W548 HydrophobicContact CB-CE3 3.86Å; N436-W548 HydrophobicContact CB-CH2 3.89Å; N436-W548 HydrophobicContact CB-CZ2 4.42Å; N436-W548 HydrophobicContact CB-CZ3 3.59Å; N436-W548 WeakPolarHBondContact ND2-CZ2 3.32Å
437V97.1Very high94.2Very high29 Ų2942.6 Ų42.618%0.17622%0.215CC..THydrogen-bonded Turntrans-76.8-25.3-176.2171.90000113.3L513 R544 Q547 L549V437-L513 HydrophobicContact CG2-CD1 4.16Å; V437-R544 PolarHBondContact O-NH2 2.67Å; V437-Q547 HydrophobicContact CB-CB 3.83Å; V437-Q547 HydrophobicContact CG1-CB 4.5Å; V437-Q547 HydrophobicContact CG2-CB 3.74Å; V437-Q547 WeakPolarHBondContact CG2-O 3.32Å; V437-Q547 PolarHBondContact N-O 2.96Å; V437-L549 HydrophobicContact CG2-CD1 4.08Å; V437-L549 HydrophobicContact CG2-CG 3.82Å
438E96.3Very high94.6Very high90 Ų9040 Ų4042%0.42120%0.2SC..THydrogen-bonded Turntrans-87.1-53.7179.3-170.9-176.2139.800111.8N436 K526 R544 S545N436-E438 WeakPolarHBondContact OD1-CB 3.41Å; N436-E438 PolarHBondContact OD1-N 3.36Å; E438-K526 IonicContact OE1-NZ 3.64Å; E438-K526 PolarHBondContact OE1-NZ 3.02Å; E438-R544 HydrophobicContact CB-CB 3.96Å; E438-R544 HydrophobicContact CG-CB 4.45Å; E438-S545 WeakPolarHBondContact OE2-CA 3.35Å; E438-S545 WeakPolarHBondContact OE2-CB 3.32Å; E438-S545 PolarHBondContact OE2-N 2.9Å; E438-S545 VanDerWaalsContact OE2-N 3.12Å
439T94.8Very high94.7Very high47 Ų4742.8 Ų42.829%0.28821%0.214SC..THydrogen-bonded Turntrans-84.6-16.1-174.3670000113.2N436 Q441 K526N436-T439 WeakPolarHBondContact CB-OG1 3.27Å; N436-T439 PolarHBondContact OD1-N 3.01Å; N436-T439 PolarHBondContact OD1-OG1 2.81Å; T439-Q441 PolarHBondContact O-N 2.74Å; T439-Q441 WeakPolarHBondContact OG1-CB 3.39Å; T439-Q441 PolarHBondContact OG1-N 2.8Å; T439-Q441 PolarHBondContact OG1-OE1 2.95Å; T439-K526 HydrophobicContact CG2-CB 4.37Å; T439-K526 HydrophobicContact CG2-CD 3.64Å
440N95.4Very high94.8Very high91 Ų9140.5 Ų40.549%0.48721%0.205SC..  trans6217.5-174.6-150.836.8000113.8R435 N436 C459R435-N440 PolarHBondContact NE-OD1 2.9Å; R435-N440 PolarHBondContact NH2-ND2 2.81Å; R435-N440 PolarHBondContact NH2-OD1 2.71Å; N436-N440 VanDerWaalsContact O-CA 3.3Å; N436-N440 WeakPolarHBondContact O-CA 3.44Å; N436-N440 PolarHBondContact O-N 3.45Å; N436-N440 VanDerWaalsContact O-N 3.12Å; N440-C459 PolarHBondContact O-SG 2.81Å
441Q96.3Very high94.9Very high49 Ų4946 Ų4623%0.22924%0.235CC..EExtended strand (participates in β ladder)trans-98.4159177-61.3176.5-60.300110.8R435 N436 T439 I456 F457R435-Q441 WeakPolarHBondContact CA-O 3.47Å; N436-Q441 PolarHBondContact N-O 3.14Å; T439-Q441 PolarHBondContact O-N 2.74Å; T439-Q441 WeakPolarHBondContact OG1-CB 3.39Å; T439-Q441 PolarHBondContact OG1-N 2.8Å; T439-Q441 PolarHBondContact OG1-OE1 2.95Å; Q441-I456 HydrophobicContact CB-CG2 3.18Å; Q441-I456 HydrophobicContact CG-CG2 4.08Å; Q441-F457 CarbonylContact C-O 3.56Å; Q441-F457 WeakPolarHBondContact CA-O 3.5Å; Q441-F457 WeakPolarHBondContact CB-O 3.36Å
442C96.9Very high95.1Very high0 Ų049.9 Ų49.90%025%0.252CS..EExtended strand (participates in β ladder)trans-112.1149-174.9-75.20000110.7I434 D444 I456 F457 C459 Q466I434-C442 CarbonylContact O-C 3.51Å; I434-C442 VanDerWaalsContact O-CA 3.28Å; I434-C442 WeakPolarHBondContact O-CA 3.21Å; C442-D444 PolarHBondContact O-N 2.97Å; C442-I456 CarbonylContact O-C 3.06Å; C442-I456 VanDerWaalsContact O-CA 3.27Å; C442-I456 WeakPolarHBondContact O-CA 3.34Å; C442-F457 PolarHBondContact N-O 3.44Å; C442-F457 PolarHBondContact O-N 2.81Å; C442-C459 HydrophobicContact CB-CB 4.03Å; C442-C459 WeakPolarHBondContact CB-SG 3.5Å; C442-C459 PolarHBondContact N-SG 2.91Å; C442-C459 WeakPolarHBondContact SG-CB 3.34Å; C442-C459 CovalentContact SG-SG 2.04Å; C442-C459 PolarHBondContact SG-SG 3.07Å; C442-Q466 HydrophobicContact CB-CG 4.49Å
443L97.4Very high95.3Very high0 Ų053.6 Ų53.60%027%0.268CS..EExtended strand (participates in β ladder)trans-56.2138.2163.4-66.8-174.1000109.2I434 G455 I456 F468 L483 L524 P535 W548I434-L443 HydrophobicContact CB-CB 4.26Å; I434-L443 HydrophobicContact CB-CD1 3.9Å; I434-L443 HydrophobicContact CB-CG 4.06Å; I434-L443 HydrophobicContact CD1-CD1 4.03Å; I434-L443 HydrophobicContact CG2-CD1 3.69Å; I434-L443 HydrophobicContact CG2-CG 3.98Å; I434-L443 PolarHBondContact O-N 3.12Å; L443-G455 WeakPolarHBondContact CA-O 3.39Å; L443-I456 HydrophobicContact CD2-CG1 4.06Å; L443-F468 HydrophobicContact CB-CD2 4.15Å; L443-F468 HydrophobicContact CB-CE2 3.72Å; L443-F468 HydrophobicContact CB-CZ 4.06Å; L443-F468 WeakPolarHBondContact O-CE2 3.44Å; L443-L483 HydrophobicContact CD1-CD1 3.97Å; L443-L524 HydrophobicContact CD1-CD2 4.17Å; L443-P535 HydrophobicContact CD2-CB 4.49Å; L443-P535 HydrophobicContact CD2-CG 3.89Å; L443-W548 HydrophobicContact CD2-CH2 3.97Å; L443-W548 HydrophobicContact CD2-CZ3 3.92Å; L443-W548 HydrophobicContact CG-CZ3 4.02Å
444D96.3Very high95.4Very high7 Ų752.6 Ų52.64%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-142.2126.4-175.5-161.6-53.9000108.4C442 M446 G455 F457 H460 N465 Q466C442-D444 PolarHBondContact O-N 2.97Å; D444-M446 HydrophobicContact CB-CE 4.14Å; D444-M446 HydrophobicContact CB-CG 4.3Å; D444-M446 HydrophobicContact CB-SD 4.16Å; D444-M446 PolarHBondContact O-N 2.85Å; D444-M446 VanDerWaalsContact OD1-CA 3.25Å; D444-M446 WeakPolarHBondContact OD1-CA 3.27Å; D444-M446 PolarHBondContact OD1-N 3.23Å; D444-G455 PolarHBondContact N-O 3.27Å; D444-G455 CarbonylContact O-C 3.33Å; D444-G455 VanDerWaalsContact O-CA 3.29Å; D444-G455 WeakPolarHBondContact O-CA 3.38Å; D444-G455 PolarHBondContact O-N 2.95Å; D444-F457 HydrophobicContact CB-CB 3.9Å; D444-H460 IonicContact OD2-NE2 3.79Å; D444-N465 WeakPolarHBondContact OD1-CB 3.24Å; D444-Q466 HydrophobicContact CB-CG 4.09Å; D444-Q466 WeakPolarHBondContact OD2-CG 3.47Å; D444-Q466 PolarHBondContact OD2-NE2 2.55Å
445N94.7Very high95.3Very high18 Ų1852.5 Ų52.510%0.09626%0.263CS..  trans-73.6-7.2175.874.715.9000112.4A447 R448 N465 F468 T478 M494N445-A447 PolarHBondContact O-N 3Å; N445-A447 PolarHBondContact OD1-N 3.45Å; N445-R448 WeakPolarHBondContact O-CB 3.26Å; N445-R448 PolarHBondContact O-N 3.37Å; N445-N465 PolarHBondContact N-O 3Å; N445-N465 WeakPolarHBondContact OD1-CA 3.34Å; N445-N465 WeakPolarHBondContact OD1-CB 3.36Å; N445-N465 PolarHBondContact OD1-OD1 3.36Å; N445-F468 HydrophobicContact CB-CZ 4.25Å; N445-T478 HydrophobicContact CB-CG2 4.1Å; N445-T478 PolarHBondContact ND2-OG1 2.99Å; N445-M494 HydrophobicContact CB-CE 4.16Å; N445-M494 HydrophobicContact CB-SD 3.67Å
446M93.1Very high95.2Very high47 Ų4750.6 Ų50.623%0.23226%0.256CS..THydrogen-bonded Turntrans55.520.9175.9-60-72.5-167.800114.1D444 R448 I456 F457D444-M446 HydrophobicContact CB-CE 4.14Å; D444-M446 HydrophobicContact CB-CG 4.3Å; D444-M446 HydrophobicContact CB-SD 4.16Å; D444-M446 PolarHBondContact O-N 2.85Å; D444-M446 VanDerWaalsContact OD1-CA 3.25Å; D444-M446 WeakPolarHBondContact OD1-CA 3.27Å; D444-M446 PolarHBondContact OD1-N 3.23Å; M446-R448 HydrophobicContact CB-CG 3.81Å; M446-R448 PolarHBondContact O-N 2.79Å; M446-R448 VanDerWaalsContact O-N 3.11Å; M446-I456 WeakPolarHBondContact CE-O 3.43Å; M446-F457 HydrophobicContact CE-CB 3.76Å; M446-F457 HydrophobicContact CE-CD2 4.04Å; M446-F457 HydrophobicContact CE-CG 4.29Å; M446-F457 HydrophobicContact SD-CB 4.4Å
447A91.3Very high95.1Very high75 Ų7555 Ų5562%0.6228%0.275SS*.THydrogen-bonded Turntrans52.323.5-165.900000114N445 N465N445-A447 PolarHBondContact O-N 3Å; N445-A447 PolarHBondContact OD1-N 3.45Å; A447-N465 PolarHBondContact N-ND2 3.22Å
448R93.4Very high95.1Very high71 Ų7158.4 Ų58.427%0.26829%0.292SS..  trans-72.3157.9174.9-72.8173.1-172.2171.24110.8N445 M446 E452 K453 M494N445-R448 WeakPolarHBondContact O-CB 3.26Å; N445-R448 PolarHBondContact O-N 3.37Å; M446-R448 HydrophobicContact CB-CG 3.81Å; M446-R448 PolarHBondContact O-N 2.79Å; M446-R448 VanDerWaalsContact O-N 3.11Å; R448-E452 WeakPolarHBondContact CA-OE2 3.43Å; R448-E452 HydrophobicContact CB-CB 3.85Å; R448-E452 WeakPolarHBondContact CB-OE2 3.47Å; R448-E452 HydrophobicContact CG-CB 4.32Å; R448-E452 WeakPolarHBondContact CG-OE2 3.36Å; R448-K453 WeakPolarHBondContact CD-O 3.46Å; R448-K453 PolarHBondContact NH1-O 3.1Å; R448-M494 HydrophobicContact CB-CE 3.72Å
449K91.9Very high95Very high162 Ų16255.6 Ų55.670%0.70428%0.282SS*.  trans-96179.6-175.7-62.3-178.8-176.4175.10111.5E452K449-E452 PolarHBondContact N-OE2 3.39Å; K449-E452 WeakPolarHBondContact O-CB 3.48Å; K449-E452 PolarHBondContact O-N 3.48Å
450E93.2Very high94.8Very high86 Ų8656.8 Ų56.840%0.40229%0.285SS..THydrogen-bonded Turntrans-51.4142.4168.5-177.2175.7-164.500110.9E452 L481 L495 K496E450-E452 PolarHBondContact O-N 3.14Å; E450-L481 HydrophobicContact CB-CD2 4.01Å; E450-L481 HydrophobicContact CG-CD2 4.31Å; E450-L495 HydrophobicContact CG-CD2 4.29Å; E450-K496 WeakPolarHBondContact OE1-CD 3.39Å; E450-K496 WeakPolarHBondContact OE1-CG 3.26Å; E450-K496 IonicContact OE1-NZ 3.26Å; E450-K496 WeakPolarHBondContact OE2-CE 3.27Å; E450-K496 IonicContact OE2-NZ 3.86Å; E450-K496 PolarHBondContact OE2-NZ 3.11Å; E450-K496 VanDerWaalsContact OE2-NZ 3.08Å
451N94.6Very high94.5Very high123 Ų12355 Ų5566%0.65829%0.287SS*.THydrogen-bonded Turntrans68.812.1-179.9-160.147.4000115M494 L495N451-M494 PolarHBondContact N-O 3.01Å; N451-L495 HydrophobicContact CB-CD2 4.04Å
452E95.5Very high94Very high86 Ų8659.2 Ų59.240%0.40231%0.309SS..EExtended strand (participates in β ladder)trans-100.4154.7170.9-63-172.8143.200111R448 K449 E450 M494R448-E452 WeakPolarHBondContact CA-OE2 3.43Å; R448-E452 HydrophobicContact CB-CB 3.85Å; R448-E452 WeakPolarHBondContact CB-OE2 3.47Å; R448-E452 HydrophobicContact CG-CB 4.32Å; R448-E452 WeakPolarHBondContact CG-OE2 3.36Å; K449-E452 PolarHBondContact N-OE2 3.39Å; K449-E452 WeakPolarHBondContact O-CB 3.48Å; K449-E452 PolarHBondContact O-N 3.48Å; E450-E452 PolarHBondContact O-N 3.14Å; E452-M494 PolarHBondContact O-N 2.75Å
453K95.9Very high93.6Very high80 Ų8059.4 Ų59.435%0.34831%0.311SS..EExtended strand (participates in β ladder)trans-68.5138.8179.1-65.7163.9161.1-168.80110.2R448 P491 V492 T493 D531 V534R448-K453 WeakPolarHBondContact CD-O 3.46Å; R448-K453 PolarHBondContact NH1-O 3.1Å; K453-P491 HydrophobicContact CD-CB 4.35Å; K453-P491 HydrophobicContact CG-CB 4.22Å; K453-V492 WeakPolarHBondContact CA-O 3.09Å; K453-T493 HydrophobicContact CG-CG2 4.4Å; K453-D531 IonicContact NZ-OD2 3.98Å; K453-D531 PolarHBondContact NZ-OD2 2.92Å; K453-V534 HydrophobicContact CB-CG1 4.02Å; K453-V534 HydrophobicContact CB-CG2 4.18Å; K453-V534 HydrophobicContact CD-CB 4.49Å; K453-V534 HydrophobicContact CD-CG1 3.83Å; K453-V534 HydrophobicContact CD-CG2 3.91Å; K453-V534 HydrophobicContact CG-CG1 4.2Å
454V96.6Very high93.2Very high0 Ų060.2 Ų60.20%032%0.319CS..PPolyproline II helixtrans-65.7149.2167.271.60000109.2F468 L483 V492 M494 P535V454-F468 HydrophobicContact CG2-CE1 4.23Å; V454-F468 HydrophobicContact CG2-CZ 3.96Å; V454-L483 HydrophobicContact CB-CD2 3.96Å; V454-L483 HydrophobicContact CG1-CD2 4.22Å; V454-L483 HydrophobicContact CG2-CD2 3.98Å; V454-V492 HydrophobicContact CG1-CB 3.72Å; V454-V492 HydrophobicContact CG1-CG1 3.82Å; V454-V492 PolarHBondContact N-O 2.89Å; V454-M494 HydrophobicContact CB-CG 4.02Å; V454-M494 HydrophobicContact CB-SD 4.17Å; V454-M494 HydrophobicContact CG2-CG 4.49Å; V454-M494 HydrophobicContact CG2-SD 4.13Å; V454-P535 HydrophobicContact CG1-CG 3.53Å; V454-P535 VanDerWaalsContact O-CD 3.3Å; V454-P535 WeakPolarHBondContact O-CD 3.11Å
455G95.9Very high93Very high0 Ų062.3 Ų62.30%033%0.33CS..EExtended strand (participates in β ladder)trans-104.8171.1178.500000113.1L443 D444 Q533L443-G455 WeakPolarHBondContact CA-O 3.39Å; D444-G455 PolarHBondContact N-O 3.27Å; D444-G455 CarbonylContact O-C 3.33Å; D444-G455 VanDerWaalsContact O-CA 3.29Å; D444-G455 WeakPolarHBondContact O-CA 3.38Å; D444-G455 PolarHBondContact O-N 2.95Å; G455-Q533 CarbonylContact C-O 3.56Å; G455-Q533 WeakPolarHBondContact CA-O 3.42Å
456I95.7Very high93Very high1 Ų161.7 Ų61.71%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-120.2135.4161.5-67.7169.8000107.9Q441 C442 L443 M446 A527 Q533 P535 W548Q441-I456 HydrophobicContact CB-CG2 3.18Å; Q441-I456 HydrophobicContact CG-CG2 4.08Å; C442-I456 CarbonylContact O-C 3.06Å; C442-I456 VanDerWaalsContact O-CA 3.27Å; C442-I456 WeakPolarHBondContact O-CA 3.34Å; L443-I456 HydrophobicContact CD2-CG1 4.06Å; M446-I456 WeakPolarHBondContact CE-O 3.43Å; I456-A527 HydrophobicContact CD1-CB 4.11Å; I456-Q533 PolarHBondContact N-O 2.04Å; I456-P535 HydrophobicContact CD1-CB 3.95Å; I456-P535 HydrophobicContact CD1-CG 4.3Å; I456-P535 HydrophobicContact CG1-CB 4.36Å; I456-P535 HydrophobicContact CG1-CG 4.16Å; I456-W548 HydrophobicContact CD1-CH2 3.8Å; I456-W548 HydrophobicContact CG1-CH2 4.28Å
457F95.4Very high93Very high93 Ų9359.4 Ų59.441%0.40832%0.316SS..EExtended strand (participates in β ladder)trans-141.7168.1175.9-158.6-108.1000111.8Q441 C442 D444 M446 C459Q441-F457 CarbonylContact C-O 3.56Å; Q441-F457 WeakPolarHBondContact CA-O 3.5Å; Q441-F457 WeakPolarHBondContact CB-O 3.36Å; C442-F457 PolarHBondContact N-O 3.44Å; C442-F457 PolarHBondContact O-N 2.81Å; D444-F457 HydrophobicContact CB-CB 3.9Å; M446-F457 HydrophobicContact CE-CB 3.76Å; M446-F457 HydrophobicContact CE-CD2 4.04Å; M446-F457 HydrophobicContact CE-CG 4.29Å; M446-F457 HydrophobicContact SD-CB 4.4Å; F457-C459 PolarHBondContact O-N 3.02Å
458N95.8Very high93.2Very high100 Ų10055.9 Ų55.954%0.53529%0.286SS..EExtended strand (participates in β ladder)trans-56.8127.5174.9-69.8-16.9000110.1H460 Q466N458-H460 PolarHBondContact O-N 3.34Å; N458-Q466 PolarHBondContact O-NE2 2.99Å
459C94.8Very high93.2Very high31 Ų3152.5 Ų52.521%0.20927%0.273CS..  trans-61.4119.4178.2-600000109.8N440 C442 F457N440-C459 PolarHBondContact O-SG 2.81Å; C442-C459 HydrophobicContact CB-CB 4.03Å; C442-C459 WeakPolarHBondContact CB-SG 3.5Å; C442-C459 PolarHBondContact N-SG 2.91Å; C442-C459 WeakPolarHBondContact SG-CB 3.34Å; C442-C459 CovalentContact SG-SG 2.04Å; C442-C459 PolarHBondContact SG-SG 3.07Å; F457-C459 PolarHBondContact O-N 3.02Å
460H91.6Very high93.4Very high73 Ų7345.3 Ų45.334%0.33824%0.242SC..  trans-111.1-10.5-177.257.269.9000113.6D444 N458 M462 G463 Q466D444-H460 IonicContact OD2-NE2 3.79Å; N458-H460 PolarHBondContact O-N 3.34Å; H460-M462 HydrophobicContact CB-CG 4.27Å; H460-M462 WeakPolarHBondContact ND1-CB 3.38Å; H460-M462 PolarHBondContact ND1-N 3.32Å; H460-M462 VanDerWaalsContact ND1-N 3.19Å; H460-M462 WeakPolarHBondContact O-CG 3.37Å; H460-M462 PolarHBondContact O-N 3.21Å; H460-G463 PolarHBondContact CE1-O 3.16Å; H460-Q466 PolarHBondContact CD2-NE2 3.3Å; H460-Q466 PolarHBondContact CD2-OE1 3.43Å; H460-Q466 VanDerWaalsContact CD2-OE1 3.32Å; H460-Q466 WeakPolarHBondContact NE2-CG 3.25Å; H460-Q466 PolarHBondContact NE2-NE2 2.99Å; H460-Q466 PolarHBondContact NE2-OE1 2.88Å
461G87.8Confident93.4Very high53 Ų5341.3 Ų41.355%0.54622%0.224SC..  trans63.511.7175.500000115G463G461-G463 VanDerWaalsContact C-N 3.32Å
462M86.7Confident93.2Very high138 Ų13837.7 Ų37.768%0.6821%0.211SC*.  trans-90.37.4-176.4-52.9-172.3178.300113.1P386 H460P386-M462 VanDerWaalsContact CG-O 3.32Å; P386-M462 WeakPolarHBondContact CG-O 3.18Å; H460-M462 HydrophobicContact CB-CG 4.27Å; H460-M462 WeakPolarHBondContact ND1-CB 3.38Å; H460-M462 PolarHBondContact ND1-N 3.32Å; H460-M462 VanDerWaalsContact ND1-N 3.19Å; H460-M462 WeakPolarHBondContact O-CG 3.37Å; H460-M462 PolarHBondContact O-N 3.21Å
463G87.9Confident93Very high4 Ų438.5 Ų38.54%0.04122%0.218CC..  trans69.4-142.1-172.900000112.5I383 H460 G461 N465 Q466 V467I383-G463 WeakPolarHBondContact O-CA 3.49Å; H460-G463 PolarHBondContact CE1-O 3.16Å; G461-G463 VanDerWaalsContact C-N 3.32Å; G463-N465 PolarHBondContact O-N 3.32Å; G463-Q466 PolarHBondContact O-N 2.74Å; G463-V467 VanDerWaalsContact C-CG2 3.42Å
464G88.8Confident93Very high17 Ų1737.9 Ų37.918%0.17522%0.215CC..G310 helixtrans61.4-117.3176.200000113.8I383 I384 Q466 V467I383-G464 PolarHBondContact O-N 3.23Å; I384-G464 WeakPolarHBondContact O-CA 3.42Å; G464-Q466 VanDerWaalsContact C-N 3.25Å; G464-Q466 PolarHBondContact O-N 2.97Å; G464-V467 PolarHBondContact O-N 3.3Å
465N92.8Very high93Very high51 Ų5138.1 Ų38.127%0.27322%0.216SC..G310 helixtrans-69.4-18.6-172.7-68.6-3.5000114.5D444 N445 A447 G463D444-N465 WeakPolarHBondContact OD1-CB 3.24Å; N445-N465 PolarHBondContact N-O 3Å; N445-N465 WeakPolarHBondContact OD1-CA 3.34Å; N445-N465 WeakPolarHBondContact OD1-CB 3.36Å; N445-N465 PolarHBondContact OD1-OD1 3.36Å; A447-N465 PolarHBondContact N-ND2 3.22Å; G463-N465 PolarHBondContact O-N 3.32Å
466Q94.1Very high93Very high4 Ų438.1 Ų38.12%0.01922%0.216CC..G310 helixtrans-97.211.6178.5-67.6-173-8.800113.2E433 C442 D444 N458 H460 G463 G464E433-Q466 WeakPolarHBondContact CA-O 3.44Å; C442-Q466 HydrophobicContact CB-CG 4.49Å; D444-Q466 HydrophobicContact CB-CG 4.09Å; D444-Q466 WeakPolarHBondContact OD2-CG 3.47Å; D444-Q466 PolarHBondContact OD2-NE2 2.55Å; N458-Q466 PolarHBondContact O-NE2 2.99Å; H460-Q466 PolarHBondContact CD2-NE2 3.3Å; H460-Q466 PolarHBondContact CD2-OE1 3.43Å; H460-Q466 VanDerWaalsContact CD2-OE1 3.32Å; H460-Q466 WeakPolarHBondContact NE2-CG 3.25Å; H460-Q466 PolarHBondContact NE2-NE2 2.99Å; H460-Q466 PolarHBondContact NE2-OE1 2.88Å; G463-Q466 PolarHBondContact O-N 2.74Å; G464-Q466 VanDerWaalsContact C-N 3.25Å; G464-Q466 PolarHBondContact O-N 2.97Å
467V92.9Very high92.9Very high0 Ų038.7 Ų38.70%022%0.218CC..  trans-98119.6178.8-177.50000109.8I383 I384 L431 G463 G464 T478I383-V467 HydrophobicContact CG2-CB 4.32Å; I383-V467 HydrophobicContact CG2-CG1 3.77Å; I383-V467 HydrophobicContact CG2-CG2 3.6Å; I384-V467 HydrophobicContact CD1-CB 3.5Å; I384-V467 HydrophobicContact CD1-CG1 3.36Å; I384-V467 HydrophobicContact CD1-CG2 4.17Å; L431-V467 HydrophobicContact CD1-CG1 3.73Å; L431-V467 HydrophobicContact CG-CG1 4.34Å; G463-V467 VanDerWaalsContact C-CG2 3.42Å; G464-V467 PolarHBondContact O-N 3.3Å; V467-T478 PolarHBondContact O-OG1 3.28Å
468F95Very high92.8Very high0 Ų034.5 Ų34.50%020%0.201CC..EExtended strand (participates in β ladder)trans-123.6145.9173.1-65.4-97.7000109.6L431 G432 I434 L443 N445 V454 I476 R477 T478 L483L431-F468 WeakPolarHBondContact CA-O 3.3Å; G432-F468 PolarHBondContact N-O 2.96Å; G432-F468 PolarHBondContact O-N 3.46Å; I434-F468 HydrophobicContact CD1-CB 3.58Å; I434-F468 HydrophobicContact CD1-CG 4.12Å; I434-F468 HydrophobicContact CG1-CB 4.15Å; L443-F468 HydrophobicContact CB-CD2 4.15Å; L443-F468 HydrophobicContact CB-CE2 3.72Å; L443-F468 HydrophobicContact CB-CZ 4.06Å; L443-F468 WeakPolarHBondContact O-CE2 3.44Å; N445-F468 HydrophobicContact CB-CZ 4.25Å; V454-F468 HydrophobicContact CG2-CE1 4.23Å; V454-F468 HydrophobicContact CG2-CZ 3.96Å; F468-I476 HydrophobicContact CB-CG2 4.11Å; F468-I476 HydrophobicContact CD1-CG2 4.04Å; F468-I476 HydrophobicContact CG-CG2 4.44Å; F468-R477 CarbonylContact C-O 3.53Å; F468-R477 WeakPolarHBondContact CA-O 3.12Å; F468-T478 HydrophobicContact CD1-CG2 4.22Å; F468-T478 HydrophobicContact CE1-CG2 3.7Å; F468-T478 HydrophobicContact CZ-CG2 4.42Å; F468-L483 HydrophobicContact CE1-CD2 4.11Å
469S94Very high92.4Very high0 Ų031.1 Ų31.10%018%0.182CC..EExtended strand (participates in β ladder)trans-107127.4170.1-173.30000110.2P425 Y428 S430 I476 R477P425-S469 WeakPolarHBondContact CG-OG 3.23Å; Y428-S469 VanDerWaalsContact CB-OG 3.28Å; Y428-S469 WeakPolarHBondContact CB-OG 3.37Å; S430-S469 CarbonylContact O-C 3.59Å; S430-S469 VanDerWaalsContact O-CA 3.27Å; S430-S469 WeakPolarHBondContact O-CA 3.47Å; S430-S469 PolarHBondContact O-OG 3.48Å; S469-I476 CarbonylContact O-C 3.56Å; S469-I476 WeakPolarHBondContact O-CA 3.42Å; S469-R477 PolarHBondContact N-O 3.49Å; S469-R477 PolarHBondContact O-N 3.35Å
470Y95.8Very high92Very high11 Ų1131 Ų314%0.04318%0.179CC..EExtended strand (participates in β ladder)trans-93.4108.6165.9-177.5-131.8000108.9Y428 F429 S430 E475 I476 W506 Y508 L550Y428-Y470 CarbonylContact C-O 3.57Å; Y428-Y470 WeakPolarHBondContact CA-O 3.46Å; Y428-Y470 WeakPolarHBondContact CB-O 3.33Å; F429-Y470 HydrophobicContact CB-CD1 3.74Å; F429-Y470 HydrophobicContact CB-CE1 4.31Å; F429-Y470 AromaticContact CD2-CD1 3.58Å; F429-Y470 HydrophobicContact CD2-CD1 3.58Å; F429-Y470 AromaticContact CD2-CE1 3.48Å; F429-Y470 HydrophobicContact CD2-CE1 3.48Å; F429-Y470 VanDerWaalsContact CD2-CE1 3.48Å; F429-Y470 HydrophobicContact CD2-CG 4.36Å; F429-Y470 HydrophobicContact CE2-CE1 4.15Å; F429-Y470 HydrophobicContact CG-CD1 4.08Å; F429-Y470 HydrophobicContact CG-CE1 4.2Å; F429-Y470 PolarHBondContact N-O 2.84Å; S430-Y470 PolarHBondContact N-O 3.13Å; S430-Y470 PolarHBondContact O-N 3.13Å; S430-Y470 WeakPolarHBondContact OG-CB 3.45Å; Y470-E475 WeakPolarHBondContact CA-O 3.41Å; Y470-I476 HydrophobicContact CD2-CG1 3.96Å; Y470-W506 HydrophobicContact CE2-CB 4.35Å; Y470-W506 WeakPolarHBondContact CE2-O 3.16Å; Y470-W506 PolarHBondContact OH-O 2.9Å; Y470-Y508 PolarHBondContact OH-N 3.11Å; Y470-L550 HydrophobicContact CD1-CD2 3.93Å; Y470-L550 HydrophobicContact CG-CD2 4.14Å
471T93.2Very high92.1Very high3 Ų328.6 Ų28.62%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-88.6162.9-16773.60000112.7P425 F429 N473 K474 E475 R477P425-T471 HydrophobicContact CB-CG2 3.87Å; F429-T471 WeakPolarHBondContact CD2-O 3.48Å; F429-T471 WeakPolarHBondContact CE2-O 3.34Å; T471-N473 PolarHBondContact O-N 3.25Å; T471-N473 VanDerWaalsContact O-N 3.17Å; T471-N473 PolarHBondContact OG1-N 3.47Å; T471-K474 PolarHBondContact O-N 2.87Å; T471-E475 PolarHBondContact N-O 2.94Å; T471-E475 PolarHBondContact OG1-N 2.98Å; T471-E475 PolarHBondContact OG1-O 2.94Å; T471-R477 HydrophobicContact CG2-CG 3.81Å
472A91.7Very high92.4Very high47 Ų4726.1 Ų26.139%0.38814%0.143SC..THydrogen-bonded Turntrans-59.8-22.9172.300000113.4H427 K474H427-A472 HydrophobicContact CB-CB 3.73Å; H427-A472 PolarHBondContact O-N 2.79Å; A472-K474 PolarHBondContact O-N 3.28Å
473N91.3Very high92.9Very high102 Ų10219.6 Ų19.655%0.54511%0.111SC..THydrogen-bonded Turntrans-81.18.1174-70.9-18.4000113.3T471 E475T471-N473 PolarHBondContact O-N 3.25Å; T471-N473 VanDerWaalsContact O-N 3.17Å; T471-N473 PolarHBondContact OG1-N 3.47Å; N473-E475 VanDerWaalsContact C-N 3.29Å; N473-E475 HydrophobicContact CB-CG 4.49Å; N473-E475 PolarHBondContact O-N 3.4Å
474K95.4Very high93.4Very high68 Ų6819.4 Ų19.430%0.29611%0.109SC..SBendtrans62.234.9179.9-70.1-172.8170.8-168.70112.6T471 A472 L505 W506 E507T471-K474 PolarHBondContact O-N 2.87Å; A472-K474 PolarHBondContact O-N 3.28Å; K474-L505 HydrophobicContact CB-CD1 3.53Å; K474-L505 HydrophobicContact CD-CD1 4.29Å; K474-W506 VanDerWaalsContact CB-O 3.24Å; K474-W506 WeakPolarHBondContact CB-O 3.29Å; K474-W506 PolarHBondContact O-N 3.01Å; K474-E507 IonicContact NZ-OE1 3.25Å; K474-E507 PolarHBondContact NZ-OE1 3.08Å; K474-E507 IonicContact NZ-OE2 3.31Å; K474-E507 PolarHBondContact NZ-OE2 3.26Å; K474-E507 VanDerWaalsContact NZ-OE2 3.09Å
475E95.7Very high93.8Very high4 Ų418.8 Ų18.82%0.01910%0.102CC..  trans-107.4148.1172.6-62.8159.2133.400110Y470 T471 N473 R477 H499Y470-E475 WeakPolarHBondContact CA-O 3.41Å; T471-E475 PolarHBondContact N-O 2.94Å; T471-E475 PolarHBondContact OG1-N 2.98Å; T471-E475 PolarHBondContact OG1-O 2.94Å; N473-E475 VanDerWaalsContact C-N 3.29Å; N473-E475 HydrophobicContact CB-CG 4.49Å; N473-E475 PolarHBondContact O-N 3.4Å; E475-R477 HydrophobicContact CB-CG 4.14Å; E475-R477 IonicContact OE1-NH2 2.73Å; E475-R477 IonicContact OE2-CZ 2.8Å; E475-R477 VanDerWaalsContact OE2-CZ 3.23Å; E475-R477 IonicContact OE2-NE 3.74Å; E475-R477 PolarHBondContact OE2-NE 2.93Å; E475-R477 IonicContact OE2-NH2 2.74Å; E475-R477 PolarHBondContact OE2-NH2 3.46Å; E475-H499 WeakPolarHBondContact OE1-CA 3.22Å; E475-H499 IonicContact OE1-CE1 2.68Å; E475-H499 IonicContact OE1-CG 3.19Å; E475-H499 IonicContact OE1-ND1 3.57Å; E475-H499 PolarHBondContact OE1-ND1 3.37Å; E475-H499 IonicContact OE2-ND1 2.75Å
476I96.9Very high93.8Very high1 Ų120.6 Ų20.61%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-105.2112170.8-54.8169.1000107.9I434 F468 S469 Y470 C482 L483 W506 L515I434-I476 HydrophobicContact CD1-CG2 3.65Å; F468-I476 HydrophobicContact CB-CG2 4.11Å; F468-I476 HydrophobicContact CD1-CG2 4.04Å; F468-I476 HydrophobicContact CG-CG2 4.44Å; S469-I476 CarbonylContact O-C 3.56Å; S469-I476 WeakPolarHBondContact O-CA 3.42Å; Y470-I476 HydrophobicContact CD2-CG1 3.96Å; I476-C482 WeakPolarHBondContact O-CA 3.48Å; I476-L483 HydrophobicContact CB-CB 4.22Å; I476-L483 HydrophobicContact CB-CD1 3.9Å; I476-L483 HydrophobicContact CB-CG 3.96Å; I476-L483 HydrophobicContact CD1-CD1 4.09Å; I476-L483 HydrophobicContact CG2-CD1 3.56Å; I476-L483 HydrophobicContact CG2-CG 3.87Å; I476-L483 PolarHBondContact O-N 3.23Å; I476-W506 HydrophobicContact CD1-CB 3.95Å; I476-W506 HydrophobicContact CD1-CD2 3.75Å; I476-W506 HydrophobicContact CD1-CE3 4.18Å; I476-W506 HydrophobicContact CD1-CG 3.64Å; I476-W506 HydrophobicContact CG1-CB 4.07Å; I476-W506 HydrophobicContact CG1-CG 3.95Å; I476-L515 HydrophobicContact CD1-CD1 4.1Å; I476-L515 HydrophobicContact CD1-CD2 3.98Å
477R94Very high93.8Very high13 Ų1328 Ų285%0.04915%0.151CC..EExtended strand (participates in β ladder)trans-113.2147.4-169.7-54.6-164.5-175.7176.30.8113.3W261 Q423 F468 S469 T471 E475 L481 H499W261-R477 HydrophobicContact CH2-CB 3.85Å; W261-R477 WeakPolarHBondContact CH2-O 3.3Å; W261-R477 HydrophobicContact CZ2-CB 3.89Å; Q423-R477 PolarHBondContact O-NH1 3.27Å; F468-R477 CarbonylContact C-O 3.53Å; F468-R477 WeakPolarHBondContact CA-O 3.12Å; S469-R477 PolarHBondContact N-O 3.49Å; S469-R477 PolarHBondContact O-N 3.35Å; T471-R477 HydrophobicContact CG2-CG 3.81Å; E475-R477 HydrophobicContact CB-CG 4.14Å; E475-R477 IonicContact OE1-NH2 2.73Å; E475-R477 IonicContact OE2-CZ 2.8Å; E475-R477 VanDerWaalsContact OE2-CZ 3.23Å; E475-R477 IonicContact OE2-NE 3.74Å; E475-R477 PolarHBondContact OE2-NE 2.93Å; E475-R477 IonicContact OE2-NH2 2.74Å; E475-R477 PolarHBondContact OE2-NH2 3.46Å; R477-L481 CarbonylContact C-O 3.42Å; R477-L481 VanDerWaalsContact CA-O 3.27Å; R477-L481 WeakPolarHBondContact CA-O 3.31Å; R477-H499 PolarHBondContact NH2-CE1 2.77Å; R477-H499 PolarHBondContact NH2-ND1 2.72Å
478T91.8Very high93.9Very high5 Ų533.9 Ų33.93%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-139.7112.1167-172.90000109.2N445 V467 F468 D480 L481 M494N445-T478 HydrophobicContact CB-CG2 4.1Å; N445-T478 PolarHBondContact ND2-OG1 2.99Å; V467-T478 PolarHBondContact O-OG1 3.28Å; F468-T478 HydrophobicContact CD1-CG2 4.22Å; F468-T478 HydrophobicContact CE1-CG2 3.7Å; F468-T478 HydrophobicContact CZ-CG2 4.42Å; T478-D480 PolarHBondContact O-N 3.28Å; T478-L481 HydrophobicContact CG2-CB 4.25Å; T478-L481 PolarHBondContact N-O 2.85Å; T478-L481 PolarHBondContact O-N 3.29Å; T478-M494 HydrophobicContact CG2-SD 3.88Å
479D87.8Confident93.8Very high29 Ų2937.1 Ų37.116%0.15520%0.199CC..THydrogen-bonded Turntrans54.7-119.8-171.7-161.533.3000112.5N260 W261 L481N260-D479 VanDerWaalsContact CB-OD1 3.27Å; N260-D479 WeakPolarHBondContact CB-OD1 3.17Å; N260-D479 VanDerWaalsContact CG-OD1 3.29Å; N260-D479 PolarHBondContact ND2-OD1 2.81Å; N260-D479 VanDerWaalsContact ND2-OD1 3.12Å; N260-D479 PolarHBondContact ND2-OD2 3.45Å; W261-D479 WeakPolarHBondContact CB-OD1 3.39Å; W261-D479 VanDerWaalsContact CD2-CA 3.46Å; W261-D479 PolarHBondContact N-OD1 2.9Å; W261-D479 PolarHBondContact NE1-O 2.91Å; D479-L481 VanDerWaalsContact C-N 3.33Å
480D86.8Confident93.8Very high27 Ų2737.4 Ų37.414%0.14420%0.202CC..THydrogen-bonded Turntrans-89.45.4177.7-61-47.5000112.9N260 Y268 Q423 T478N260-D480 WeakPolarHBondContact CB-OD1 3.45Å; N260-D480 WeakPolarHBondContact CB-OD2 3.27Å; Y268-D480 PolarHBondContact OH-OD1 3.3Å; Q423-D480 VanDerWaalsContact CG-OD1 3.31Å; Q423-D480 WeakPolarHBondContact CG-OD1 3.17Å; T478-D480 PolarHBondContact O-N 3.28Å
481L93.3Very high93.8Very high24 Ų2439.1 Ų39.113%0.12622%0.215CC..EExtended strand (participates in β ladder)trans-114.3149.4-172.8-54.4178.2000112.7E450 R477 T478 D479 M494 L495 K496E450-L481 HydrophobicContact CB-CD2 4.01Å; E450-L481 HydrophobicContact CG-CD2 4.31Å; R477-L481 CarbonylContact C-O 3.42Å; R477-L481 VanDerWaalsContact CA-O 3.27Å; R477-L481 WeakPolarHBondContact CA-O 3.31Å; T478-L481 HydrophobicContact CG2-CB 4.25Å; T478-L481 PolarHBondContact N-O 2.85Å; T478-L481 PolarHBondContact O-N 3.29Å; D479-L481 VanDerWaalsContact C-N 3.33Å; L481-M494 HydrophobicContact CB-CB 4.16Å; L481-M494 HydrophobicContact CD1-CB 3.87Å; L481-L495 CarbonylContact C-O 3.52Å; L481-L495 VanDerWaalsContact CA-O 3.27Å; L481-L495 WeakPolarHBondContact CA-O 3.45Å; L481-K496 HydrophobicContact CD2-CG 4.4Å
482C95.3Very high93.9Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-118.4146.4176-82.90000109.8I476 D484 M494 L495 C497 Q504I476-C482 WeakPolarHBondContact O-CA 3.48Å; C482-D484 PolarHBondContact O-N 2.05Å; C482-M494 WeakPolarHBondContact O-CA 3.37Å; C482-L495 PolarHBondContact N-O 3.21Å; C482-L495 PolarHBondContact O-N 2.82Å; C482-C497 HydrophobicContact CB-CB 4.05Å; C482-C497 WeakPolarHBondContact CB-SG 3.12Å; C482-C497 PolarHBondContact N-SG 2.85Å; C482-C497 VanDerWaalsContact N-SG 3.35Å; C482-C497 WeakPolarHBondContact SG-CA 3.19Å; C482-C497 WeakPolarHBondContact SG-CB 3.02Å; C482-C497 CovalentContact SG-SG 2.04Å; C482-C497 PolarHBondContact SG-SG 3.04Å; C482-Q504 HydrophobicContact CB-CG 4.28Å
483L97.5Very high94.2Very high1 Ų137.8 Ų37.81%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-70.2125.1169.6-60.5-168000110L443 V454 F468 I476 V492 M494 W506L443-L483 HydrophobicContact CD1-CD1 3.97Å; V454-L483 HydrophobicContact CB-CD2 3.96Å; V454-L483 HydrophobicContact CG1-CD2 4.22Å; V454-L483 HydrophobicContact CG2-CD2 3.98Å; F468-L483 HydrophobicContact CE1-CD2 4.11Å; I476-L483 HydrophobicContact CB-CB 4.22Å; I476-L483 HydrophobicContact CB-CD1 3.9Å; I476-L483 HydrophobicContact CB-CG 3.96Å; I476-L483 HydrophobicContact CD1-CD1 4.09Å; I476-L483 HydrophobicContact CG2-CD1 3.56Å; I476-L483 HydrophobicContact CG2-CG 3.87Å; I476-L483 PolarHBondContact O-N 3.23Å; L483-V492 HydrophobicContact CB-CG1 3.83Å; L483-V492 HydrophobicContact CD1-CG1 4.25Å; L483-V492 HydrophobicContact CD2-CG1 4.14Å; L483-V492 HydrophobicContact CG-CG1 4.29Å; L483-M494 HydrophobicContact CD2-CG 3.91Å; L483-W506 HydrophobicContact CB-CZ2 4.11Å; L483-W506 PolarHBondContact O-NE1 2.92Å
484D97.2Very high94.5Very high1 Ų133 Ų331%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-132.2141.3-172.1-165.4-62.6000111C482 T493 L495 H498 N503 Q504C482-D484 PolarHBondContact O-N 2.05Å; D484-T493 PolarHBondContact N-O 2.84Å; D484-T493 PolarHBondContact O-N 3.05Å; D484-T493 PolarHBondContact O-OG1 3.22Å; D484-L495 HydrophobicContact CB-CB 4.12Å; D484-L495 HydrophobicContact CB-CD1 3.99Å; D484-L495 HydrophobicContact CB-CG 4.14Å; D484-H498 IonicContact OD2-NE2 3.43Å; D484-N503 WeakPolarHBondContact CA-O 3.28Å; D484-N503 PolarHBondContact OD1-ND2 2.94Å; D484-N503 PolarHBondContact OD2-ND2 3.02Å; D484-Q504 HydrophobicContact CB-CG 4.01Å; D484-Q504 WeakPolarHBondContact OD2-CG 3.39Å; D484-Q504 PolarHBondContact OD2-NE2 2.77Å
485V96.6Very high94.4Very high4 Ų431.4 Ų31.42%0.02417%0.171CC..  trans-131115175.5-167.40000112.5K487 V492 N503 W506 I537V485-K487 WeakPolarHBondContact CG1-O 3.42Å; V485-V492 HydrophobicContact CG2-CB 4.47Å; V485-V492 HydrophobicContact CG2-CG1 4.35Å; V485-V492 HydrophobicContact CG2-CG2 4Å; V485-N503 PolarHBondContact N-O 3.24Å; V485-N503 VanDerWaalsContact N-O 3.1Å; V485-N503 WeakPolarHBondContact O-CB 3.37Å; V485-W506 HydrophobicContact CG2-CH2 3.83Å; V485-W506 HydrophobicContact CG2-CZ2 3.71Å; V485-I537 HydrophobicContact CB-CD1 4.19Å; V485-I537 HydrophobicContact CG1-CD1 3.37Å; V485-I537 HydrophobicContact CG1-CG1 3.8Å; V485-I537 HydrophobicContact CG1-CG2 4.48Å; V485-I537 HydrophobicContact CG2-CG2 3.94Å
486S94Very high94.3Very high89 Ų8937.2 Ų37.262%0.62220%0.196SC*.  trans-96.9-8.1-179.9-39.40000115.1
487K94.1Very high93.9Very high159 Ų15937.9 Ų37.969%0.69120%0.2SC*.SBendtrans-137138-175.2-64.9-177.3-177.6179.30111.8V485 G490V485-K487 WeakPolarHBondContact CG1-O 3.42Å; K487-G490 WeakPolarHBondContact O-CA 3.45Å; K487-G490 PolarHBondContact O-N 2.78Å; K487-G490 VanDerWaalsContact O-N 3.07Å
488L94.5Very high93.6Very high123 Ų12340.2 Ų40.264%0.64421%0.212SC*.THydrogen-bonded Turntrans-58.9140.2168.9-64179.9000110G490L488-G490 PolarHBondContact O-N 3.02Å
489N94.1Very high93.4Very high68 Ų6843.8 Ų43.836%0.36423%0.228SC..THydrogen-bonded Turntrans54.520.6-174.6-63-56.7000114Q522 I537N489-Q522 PolarHBondContact OD1-NE2 3.45Å; N489-I537 CarbonylContact C-O 3.55Å; N489-I537 VanDerWaalsContact CA-O 3.24Å; N489-I537 WeakPolarHBondContact CA-O 3.11Å
490G93.2Very high93.4Very high6 Ų649.2 Ų49.26%0.06226%0.256CS..PPolyproline II helixtrans-93166.2-171.400000113.4K487 L488 S536 I537K487-G490 WeakPolarHBondContact O-CA 3.45Å; K487-G490 PolarHBondContact O-N 2.78Å; K487-G490 VanDerWaalsContact O-N 3.07Å; L488-G490 PolarHBondContact O-N 3.02Å; G490-S536 CarbonylContact O-C 3.52Å; G490-S536 VanDerWaalsContact O-CA 3.22Å; G490-S536 WeakPolarHBondContact O-CA 3.06Å; G490-S536 WeakPolarHBondContact O-CB 3.38Å; G490-I537 PolarHBondContact O-N 3.32Å
491P95.3Very high93.6Very high48 Ų4854.3 Ų54.331%0.31228%0.277SS..BIsolated β-bridgetrans-67.8155.4173.432.3-36.3000110.9K453 V534K453-P491 HydrophobicContact CD-CB 4.35Å; K453-P491 HydrophobicContact CG-CB 4.22Å; P491-V534 HydrophobicContact CB-CG1 3.69Å
492V96.6Very high93.6Very high0 Ų054.5 Ų54.50%029%0.285CS..PPolyproline II helixtrans-85.8130.8171.2-175.20000110K453 V454 L483 V485 W506 L524 P535 I537K453-V492 WeakPolarHBondContact CA-O 3.09Å; V454-V492 HydrophobicContact CG1-CB 3.72Å; V454-V492 HydrophobicContact CG1-CG1 3.82Å; V454-V492 PolarHBondContact N-O 2.89Å; L483-V492 HydrophobicContact CB-CG1 3.83Å; L483-V492 HydrophobicContact CD1-CG1 4.25Å; L483-V492 HydrophobicContact CD2-CG1 4.14Å; L483-V492 HydrophobicContact CG-CG1 4.29Å; V485-V492 HydrophobicContact CG2-CB 4.47Å; V485-V492 HydrophobicContact CG2-CG1 4.35Å; V485-V492 HydrophobicContact CG2-CG2 4Å; V492-W506 HydrophobicContact CG1-CZ2 4.22Å; V492-W506 HydrophobicContact CG2-CH2 4.17Å; V492-L524 HydrophobicContact CG2-CD1 3.55Å; V492-P535 PolarHBondContact N-O 3.02Å; V492-P535 VanDerWaalsContact N-O 3.1Å; V492-I537 HydrophobicContact CG2-CG2 4.33Å
493T96.8Very high93.6Very high22 Ų2256.8 Ų56.814%0.13530%0.297CS..EExtended strand (participates in β ladder)trans-115.2156.7-178.554.30000111.3K453 D484K453-T493 HydrophobicContact CG-CG2 4.4Å; D484-T493 PolarHBondContact N-O 2.84Å; D484-T493 PolarHBondContact O-N 3.05Å; D484-T493 PolarHBondContact O-OG1 3.22Å
494M96.8Very high93.6Very high0 Ų056.8 Ų56.80%030%0.297CS..EExtended strand (participates in β ladder)trans-104.3113.5175.7-63.5-179.1-64.300109.5N445 R448 N451 E452 V454 T478 L481 C482 L483N445-M494 HydrophobicContact CB-CE 4.16Å; N445-M494 HydrophobicContact CB-SD 3.67Å; R448-M494 HydrophobicContact CB-CE 3.72Å; N451-M494 PolarHBondContact N-O 3.01Å; E452-M494 PolarHBondContact O-N 2.75Å; V454-M494 HydrophobicContact CB-CG 4.02Å; V454-M494 HydrophobicContact CB-SD 4.17Å; V454-M494 HydrophobicContact CG2-CG 4.49Å; V454-M494 HydrophobicContact CG2-SD 4.13Å; T478-M494 HydrophobicContact CG2-SD 3.88Å; L481-M494 HydrophobicContact CB-CB 4.16Å; L481-M494 HydrophobicContact CD1-CB 3.87Å; C482-M494 WeakPolarHBondContact O-CA 3.37Å; L483-M494 HydrophobicContact CD2-CG 3.91Å
495L95.3Very high93.6Very high36 Ų3658.1 Ų58.119%0.18830%0.304CS..EExtended strand (participates in β ladder)trans-121.9164.1178.1-69.9-179000110.5E450 N451 L481 C482 D484 C497E450-L495 HydrophobicContact CG-CD2 4.29Å; N451-L495 HydrophobicContact CB-CD2 4.04Å; L481-L495 CarbonylContact C-O 3.52Å; L481-L495 VanDerWaalsContact CA-O 3.27Å; L481-L495 WeakPolarHBondContact CA-O 3.45Å; C482-L495 PolarHBondContact N-O 3.21Å; C482-L495 PolarHBondContact O-N 2.82Å; D484-L495 HydrophobicContact CB-CB 4.12Å; D484-L495 HydrophobicContact CB-CD1 3.99Å; D484-L495 HydrophobicContact CB-CG 4.14Å; L495-C497 PolarHBondContact O-N 2.83Å
496K91.8Very high93.7Very high125 Ų12558 Ų5854%0.54330%0.303SS..EExtended strand (participates in β ladder)trans-55.3136.5172.6-80.5171.3-177.5150.80110.8E450 L481 H498 Q504E450-K496 WeakPolarHBondContact OE1-CD 3.39Å; E450-K496 WeakPolarHBondContact OE1-CG 3.26Å; E450-K496 IonicContact OE1-NZ 3.26Å; E450-K496 WeakPolarHBondContact OE2-CE 3.27Å; E450-K496 IonicContact OE2-NZ 3.86Å; E450-K496 PolarHBondContact OE2-NZ 3.11Å; E450-K496 VanDerWaalsContact OE2-NZ 3.08Å; L481-K496 HydrophobicContact CD2-CG 4.4Å; K496-H498 PolarHBondContact O-N 3.1Å; K496-H498 VanDerWaalsContact O-N 3.14Å; K496-Q504 PolarHBondContact O-NE2 3.33Å
497C89.9Confident93.9Very high15 Ų1557.7 Ų57.710%0.10129%0.292CS..  trans-64.1114.4173.4-66.10000109.7C482 L495C482-C497 HydrophobicContact CB-CB 4.05Å; C482-C497 WeakPolarHBondContact CB-SG 3.12Å; C482-C497 PolarHBondContact N-SG 2.85Å; C482-C497 VanDerWaalsContact N-SG 3.35Å; C482-C497 WeakPolarHBondContact SG-CA 3.19Å; C482-C497 WeakPolarHBondContact SG-CB 3.02Å; C482-C497 CovalentContact SG-SG 2.04Å; C482-C497 PolarHBondContact SG-SG 3.04Å; L495-C497 PolarHBondContact O-N 2.83Å
498H87.9Confident94.1Very high63 Ų6352.1 Ų52.129%0.29227%0.267SS..  trans-101.6-10-179.159.174.4000113.1D484 K496 L500 K501 N503 Q504D484-H498 IonicContact OD2-NE2 3.43Å; K496-H498 PolarHBondContact O-N 3.1Å; K496-H498 VanDerWaalsContact O-N 3.14Å; H498-L500 HydrophobicContact CB-CG 4.41Å; H498-L500 VanDerWaalsContact ND1-CB 3.29Å; H498-L500 WeakPolarHBondContact ND1-CB 3.39Å; H498-L500 PolarHBondContact ND1-N 3.46Å; H498-L500 VanDerWaalsContact ND1-N 3.12Å; H498-L500 WeakPolarHBondContact O-CG 3.24Å; H498-L500 PolarHBondContact O-N 2.74Å; H498-K501 PolarHBondContact CE1-O 2.67Å; H498-K501 VanDerWaalsContact CE1-O 3.26Å; H498-N503 PolarHBondContact NE2-OD1 2.94Å; H498-Q504 PolarHBondContact CD2-NE2 2.78Å; H498-Q504 PolarHBondContact CD2-OE1 3.32Å; H498-Q504 VanDerWaalsContact CD2-OE1 3.26Å; H498-Q504 VanDerWaalsContact N-OE1 3.16Å; H498-Q504 WeakPolarHBondContact NE2-CG 3.21Å; H498-Q504 PolarHBondContact NE2-NE2 3.32Å; H498-Q504 PolarHBondContact NE2-OE1 2.79Å
499H86.8Confident94.2Very high79 Ų7948.3 Ų48.337%0.36625%0.247SC..SBendtrans60.214.6176.5-47.5-44.6000115.1E475 R477 K501E475-H499 WeakPolarHBondContact OE1-CA 3.22Å; E475-H499 IonicContact OE1-CE1 2.68Å; E475-H499 IonicContact OE1-CG 3.19Å; E475-H499 IonicContact OE1-ND1 3.57Å; E475-H499 PolarHBondContact OE1-ND1 3.37Å; E475-H499 IonicContact OE2-ND1 2.75Å; R477-H499 PolarHBondContact NH2-CE1 2.77Å; R477-H499 PolarHBondContact NH2-ND1 2.72Å; H499-K501 VanDerWaalsContact C-N 3.34Å
500L88.6Confident94.2Very high143 Ų14349.5 Ų49.575%0.74926%0.258SS*.  trans-92.99.9178.5-50.3176.7000112.8H498H498-L500 HydrophobicContact CB-CG 4.41Å; H498-L500 VanDerWaalsContact ND1-CB 3.29Å; H498-L500 WeakPolarHBondContact ND1-CB 3.39Å; H498-L500 PolarHBondContact ND1-N 3.46Å; H498-L500 VanDerWaalsContact ND1-N 3.12Å; H498-L500 WeakPolarHBondContact O-CG 3.24Å; H498-L500 PolarHBondContact O-N 2.74Å
501K91Very high94.4Very high134 Ų13455.4 Ų55.458%0.58329%0.293SS*.  trans59.8-134-175.1-53.6179.4179.6178.30111.5H498 H499 N503 Q504 L505H498-K501 PolarHBondContact CE1-O 2.67Å; H498-K501 VanDerWaalsContact CE1-O 3.26Å; H499-K501 VanDerWaalsContact C-N 3.34Å; K501-N503 PolarHBondContact O-N 2.99Å; K501-Q504 PolarHBondContact O-N 3.35Å; K501-L505 HydrophobicContact CB-CB 4.21Å; K501-L505 HydrophobicContact CB-CD1 4.3Å; K501-L505 HydrophobicContact CB-CD2 4.25Å; K501-L505 HydrophobicContact CB-CG 4.5Å; K501-L505 HydrophobicContact CG-CD1 4.31Å
502G93.4Very high94.4Very high29 Ų2959.4 Ų59.430%0.29931%0.306SS..G310 helixtrans64.6-118.8177.200000112.7Q504 L505 N519G502-Q504 PolarHBondContact O-N 3.47Å; G502-L505 WeakPolarHBondContact O-CB 3.34Å; G502-L505 PolarHBondContact O-N 2.92Å; G502-L505 VanDerWaalsContact O-N 3.11Å; G502-N519 WeakPolarHBondContact O-CB 3.36Å
503N95.2Very high94.5Very high47 Ų4761.2 Ų61.225%0.25132%0.315SS..G310 helixtrans-67.4-6.1179.756.3-36.2000115D484 V485 H498 K501 H517D484-N503 WeakPolarHBondContact CA-O 3.28Å; D484-N503 PolarHBondContact OD1-ND2 2.94Å; D484-N503 PolarHBondContact OD2-ND2 3.02Å; V485-N503 PolarHBondContact N-O 3.24Å; V485-N503 VanDerWaalsContact N-O 3.1Å; V485-N503 WeakPolarHBondContact O-CB 3.37Å; H498-N503 PolarHBondContact NE2-OD1 2.94Å; K501-N503 PolarHBondContact O-N 2.99Å; N503-H517 WeakPolarHBondContact CA-NE2 3.16Å; N503-H517 PolarHBondContact O-NE2 2.87Å; N503-H517 VanDerWaalsContact O-NE2 3.14Å
504Q96.7Very high94.5Very high1 Ų160.8 Ų60.81%0.00531%0.313CS..G310 helixtrans-111.310.2172.4-63.3-174-8.600113.2C482 D484 K496 H498 K501 G502 W506C482-Q504 HydrophobicContact CB-CG 4.28Å; D484-Q504 HydrophobicContact CB-CG 4.01Å; D484-Q504 WeakPolarHBondContact OD2-CG 3.39Å; D484-Q504 PolarHBondContact OD2-NE2 2.77Å; K496-Q504 PolarHBondContact O-NE2 3.33Å; H498-Q504 PolarHBondContact CD2-NE2 2.78Å; H498-Q504 PolarHBondContact CD2-OE1 3.32Å; H498-Q504 VanDerWaalsContact CD2-OE1 3.26Å; H498-Q504 VanDerWaalsContact N-OE1 3.16Å; H498-Q504 WeakPolarHBondContact NE2-CG 3.21Å; H498-Q504 PolarHBondContact NE2-NE2 3.32Å; H498-Q504 PolarHBondContact NE2-OE1 2.79Å; K501-Q504 PolarHBondContact O-N 3.35Å; G502-Q504 PolarHBondContact O-N 3.47Å; Q504-W506 VanDerWaalsContact O-CD1 3.3Å
505L97.4Very high94.6Very high30 Ų3060.8 Ų60.816%0.15731%0.313CS..  trans-95119.5-176.9-173.367.4000112K474 K501 G502 V518K474-L505 HydrophobicContact CB-CD1 3.53Å; K474-L505 HydrophobicContact CD-CD1 4.29Å; K501-L505 HydrophobicContact CB-CB 4.21Å; K501-L505 HydrophobicContact CB-CD1 4.3Å; K501-L505 HydrophobicContact CB-CD2 4.25Å; K501-L505 HydrophobicContact CB-CG 4.5Å; K501-L505 HydrophobicContact CG-CD1 4.31Å; G502-L505 WeakPolarHBondContact O-CB 3.34Å; G502-L505 PolarHBondContact O-N 2.92Å; G502-L505 VanDerWaalsContact O-N 3.11Å; L505-V518 HydrophobicContact CB-CB 4.29Å; L505-V518 HydrophobicContact CD2-CB 3.78Å; L505-V518 HydrophobicContact CD2-CG1 3.77Å; L505-V518 HydrophobicContact CD2-CG2 3.99Å; L505-V518 HydrophobicContact CG-CB 3.94Å; L505-V518 HydrophobicContact CG-CG1 4.47Å; L505-V518 HydrophobicContact CG-CG2 3.83Å; L505-V518 PolarHBondContact O-N 2.93Å
506W98.1Very high94.7Very high0 Ų061 Ų610%031%0.313CS..EExtended strand (participates in β ladder)trans-124.8131.6-176.1-62.688.9000112.5Y470 K474 I476 L483 V485 V492 Q504 L515 L516 H517 L524 I537Y470-W506 HydrophobicContact CE2-CB 4.35Å; Y470-W506 WeakPolarHBondContact CE2-O 3.16Å; Y470-W506 PolarHBondContact OH-O 2.9Å; K474-W506 VanDerWaalsContact CB-O 3.24Å; K474-W506 WeakPolarHBondContact CB-O 3.29Å; K474-W506 PolarHBondContact O-N 3.01Å; I476-W506 HydrophobicContact CD1-CB 3.95Å; I476-W506 HydrophobicContact CD1-CD2 3.75Å; I476-W506 HydrophobicContact CD1-CE3 4.18Å; I476-W506 HydrophobicContact CD1-CG 3.64Å; I476-W506 HydrophobicContact CG1-CB 4.07Å; I476-W506 HydrophobicContact CG1-CG 3.95Å; L483-W506 HydrophobicContact CB-CZ2 4.11Å; L483-W506 PolarHBondContact O-NE1 2.92Å; V485-W506 HydrophobicContact CG2-CH2 3.83Å; V485-W506 HydrophobicContact CG2-CZ2 3.71Å; V492-W506 HydrophobicContact CG1-CZ2 4.22Å; V492-W506 HydrophobicContact CG2-CH2 4.17Å; Q504-W506 VanDerWaalsContact O-CD1 3.3Å; W506-L515 HydrophobicContact CE3-CB 4.32Å; W506-L516 CarbonylContact C-O 3.49Å; W506-L516 WeakPolarHBondContact CA-O 3.36Å; W506-H517 HydrophobicContact CE3-CB 3.98Å; W506-H517 HydrophobicContact CH2-CB 4.02Å; W506-H517 HydrophobicContact CZ3-CB 3.7Å; W506-L524 HydrophobicContact CH2-CD1 4.39Å; W506-L524 HydrophobicContact CZ3-CB 4.1Å; W506-I537 HydrophobicContact CH2-CG2 3.88Å; W506-I537 HydrophobicContact CZ3-CG2 4.23Å
507E97.9Very high95Very high83 Ų8355.1 Ų55.139%0.38829%0.288SS..EExtended strand (participates in β ladder)trans-110.2122174.2-175.4137.8-146.200110.4K474 L516 V518K474-E507 IonicContact NZ-OE1 3.25Å; K474-E507 PolarHBondContact NZ-OE1 3.08Å; K474-E507 IonicContact NZ-OE2 3.31Å; K474-E507 PolarHBondContact NZ-OE2 3.26Å; K474-E507 VanDerWaalsContact NZ-OE2 3.09Å; E507-L516 HydrophobicContact CB-CB 4.31Å; E507-L516 PolarHBondContact N-O 3.2Å; E507-L516 PolarHBondContact O-N 3.2Å; E507-V518 HydrophobicContact CB-CG2 3.98Å
508Y98.1Very high95.4Very high42 Ų4257 Ų5717%0.16530%0.299CS..EExtended strand (participates in β ladder)trans-98123.1176.1-175.3-120.2000110.8Y470 P510 L513 T514 L515 W548 L550Y470-Y508 PolarHBondContact OH-N 3.11Å; Y508-P510 HydrophobicContact CD1-CB 4.41Å; Y508-P510 HydrophobicContact CE1-CB 4.04Å; Y508-P510 WeakPolarHBondContact O-CD 3.33Å; Y508-L513 WeakPolarHBondContact OH-CD2 3.46Å; Y508-T514 WeakPolarHBondContact CA-O 3.44Å; Y508-T514 WeakPolarHBondContact CD2-O 3.39Å; Y508-L515 HydrophobicContact CD2-CD2 3.53Å; Y508-L515 HydrophobicContact CD2-CG 3.82Å; Y508-L515 HydrophobicContact CE2-CD2 4.47Å; Y508-L515 HydrophobicContact CE2-CG 4.4Å; Y508-L515 HydrophobicContact CG-CD2 4.04Å; Y508-W548 WeakPolarHBondContact CE2-O 3.08Å; Y508-W548 PolarHBondContact OH-O 3.35Å; Y508-L550 HydrophobicContact CD1-CD2 3.87Å; Y508-L550 HydrophobicContact CD2-CD1 4.15Å; Y508-L550 HydrophobicContact CD2-CD2 4.39Å; Y508-L550 HydrophobicContact CE1-CB 4.44Å; Y508-L550 HydrophobicContact CE1-CD1 4.4Å; Y508-L550 HydrophobicContact CE1-CD2 3.99Å; Y508-L550 HydrophobicContact CE2-CD1 3.76Å; Y508-L550 HydrophobicContact CG-CD2 4.05Å
509D97.3Very high95.7Very high44 Ų4459.1 Ų59.124%0.23531%0.313CS..EExtended strand (participates in β ladder)trans-94.8109.5169.2-176.1-32.1000108.6V511 K512 L513 T514D509-V511 PolarHBondContact O-N 3.41Å; D509-V511 WeakPolarHBondContact OD1-CA 3.39Å; D509-V511 WeakPolarHBondContact OD1-CB 3.32Å; D509-V511 PolarHBondContact OD1-N 2.88Å; D509-K512 HydrophobicContact CB-CB 4.16Å; D509-K512 PolarHBondContact OD1-N 3.46Å; D509-K512 VanDerWaalsContact OD2-CD 3.23Å; D509-K512 WeakPolarHBondContact OD2-CD 3.37Å; D509-K512 WeakPolarHBondContact OD2-CE 3.48Å; D509-K512 WeakPolarHBondContact OD2-CG 3.38Å; D509-K512 IonicContact OD2-NZ 3.32Å; D509-L513 WeakPolarHBondContact O-CA 3.29Å; D509-L513 PolarHBondContact O-N 3.21Å; D509-T514 PolarHBondContact N-O 2.86Å; D509-T514 PolarHBondContact O-N 2.74Å
510P95.1Very high96.2Very high92 Ų9256.5 Ų56.560%0.59730%0.303SS*.THydrogen-bonded Turntrans-73.4-14.1-177.131-36.2000113.5Y508 L513Y508-P510 HydrophobicContact CD1-CB 4.41Å; Y508-P510 HydrophobicContact CE1-CB 4.04Å; Y508-P510 WeakPolarHBondContact O-CD 3.33Å; P510-L513 WeakPolarHBondContact O-CD2 3.39Å
511V95.6Very high96.6Very high130 Ų13055.4 Ų55.479%0.78830%0.298SS*.THydrogen-bonded Turntrans-86.7-46.6177.2-179.40000109.8D509 L513D509-V511 PolarHBondContact O-N 3.41Å; D509-V511 WeakPolarHBondContact OD1-CA 3.39Å; D509-V511 WeakPolarHBondContact OD1-CB 3.32Å; D509-V511 PolarHBondContact OD1-N 2.88Å; V511-L513 VanDerWaalsContact C-N 3.33Å
512K96.6Very high96.9Very high133 Ų13349.2 Ų49.258%0.57827%0.271SS*.THydrogen-bonded Turntrans-82.8-13.6177.8-61.9179.9-168.1160.20113.2D509 T514 Q547D509-K512 HydrophobicContact CB-CB 4.16Å; D509-K512 PolarHBondContact OD1-N 3.46Å; D509-K512 VanDerWaalsContact OD2-CD 3.23Å; D509-K512 WeakPolarHBondContact OD2-CD 3.37Å; D509-K512 WeakPolarHBondContact OD2-CE 3.48Å; D509-K512 WeakPolarHBondContact OD2-CG 3.38Å; D509-K512 IonicContact OD2-NZ 3.32Å; K512-T514 HydrophobicContact CB-CG2 3.98Å; K512-T514 PolarHBondContact O-N 3.18Å; K512-Q547 WeakPolarHBondContact O-CG 3.33Å
513L97.9Very high97.2Very high37 Ų3748 Ų4819%0.19426%0.258CS..THydrogen-bonded Turntrans59.527.7-173-52.8176.3000113V437 Y508 D509 P510 V511 Q547 W548 L549V437-L513 HydrophobicContact CG2-CD1 4.16Å; Y508-L513 WeakPolarHBondContact OH-CD2 3.46Å; D509-L513 WeakPolarHBondContact O-CA 3.29Å; D509-L513 PolarHBondContact O-N 3.21Å; P510-L513 WeakPolarHBondContact O-CD2 3.39Å; V511-L513 VanDerWaalsContact C-N 3.33Å; L513-Q547 HydrophobicContact CB-CB 4.09Å; L513-Q547 HydrophobicContact CB-CG 4.33Å; L513-Q547 CarbonylContact O-C 3.59Å; L513-Q547 WeakPolarHBondContact O-CA 3.28Å; L513-W548 PolarHBondContact O-N 3.16Å; L513-L549 HydrophobicContact CD1-CD2 3.64Å; L513-L549 HydrophobicContact CD1-CG 4.4Å; L513-L549 HydrophobicContact CD2-CD2 4.02Å; L513-L549 HydrophobicContact CG-CD2 4.45Å
514T97.8Very high97.3Very high14 Ų1445.9 Ų45.99%0.08625%0.246CC..EExtended strand (participates in β ladder)trans-100.3136.2-174.851.50000111.6Y508 D509 K512Y508-T514 WeakPolarHBondContact CA-O 3.44Å; Y508-T514 WeakPolarHBondContact CD2-O 3.39Å; D509-T514 PolarHBondContact N-O 2.86Å; D509-T514 PolarHBondContact O-N 2.74Å; K512-T514 HydrophobicContact CB-CG2 3.98Å; K512-T514 PolarHBondContact O-N 3.18Å
515L98.3Very high97.3Very high0 Ų046.7 Ų46.70%025%0.251CS..EExtended strand (participates in β ladder)trans-98.8102.7168.8-74.9166.8000109.3I434 I476 W506 Y508 C523 L524 W548 L550I434-L515 HydrophobicContact CG2-CD1 4.03Å; I476-L515 HydrophobicContact CD1-CD1 4.1Å; I476-L515 HydrophobicContact CD1-CD2 3.98Å; W506-L515 HydrophobicContact CE3-CB 4.32Å; Y508-L515 HydrophobicContact CD2-CD2 3.53Å; Y508-L515 HydrophobicContact CD2-CG 3.82Å; Y508-L515 HydrophobicContact CE2-CD2 4.47Å; Y508-L515 HydrophobicContact CE2-CG 4.4Å; Y508-L515 HydrophobicContact CG-CD2 4.04Å; L515-C523 CarbonylContact O-C 3.46Å; L515-C523 WeakPolarHBondContact O-CA 3.18Å; L515-L524 HydrophobicContact CB-CB 3.94Å; L515-L524 HydrophobicContact CB-CD2 4.43Å; L515-L524 HydrophobicContact CD1-CD2 3.74Å; L515-L524 PolarHBondContact O-N 3.32Å; L515-W548 HydrophobicContact CD1-CB 4.05Å; L515-W548 HydrophobicContact CD1-CG 4.15Å; L515-L550 HydrophobicContact CD1-CD1 4.39Å
516L98.3Very high97.2Very high39 Ų3948 Ų4820%0.20426%0.256CS..EExtended strand (participates in β ladder)trans-87.3121.7178.4177.570.2000110.1W506 E507 V518W506-L516 CarbonylContact C-O 3.49Å; W506-L516 WeakPolarHBondContact CA-O 3.36Å; E507-L516 HydrophobicContact CB-CB 4.31Å; E507-L516 PolarHBondContact N-O 3.2Å; E507-L516 PolarHBondContact O-N 3.2Å; L516-V518 PolarHBondContact O-N 2.7Å
517H98.1Very high96.8Very high2 Ų248.7 Ų48.71%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-78.4109.3165.7179.4-116.6000109N503 W506 N519 S520 N521 Q522 I537N503-H517 WeakPolarHBondContact CA-NE2 3.16Å; N503-H517 PolarHBondContact O-NE2 2.87Å; N503-H517 VanDerWaalsContact O-NE2 3.14Å; W506-H517 HydrophobicContact CE3-CB 3.98Å; W506-H517 HydrophobicContact CH2-CB 4.02Å; W506-H517 HydrophobicContact CZ3-CB 3.7Å; H517-N519 VanDerWaalsContact C-N 3.35Å; H517-N519 PolarHBondContact O-N 2.92Å; H517-S520 WeakPolarHBondContact ND1-CB 3.25Å; H517-S520 PolarHBondContact ND1-N 2.87Å; H517-S520 PolarHBondContact ND1-OG 3.42Å; H517-S520 PolarHBondContact O-N 2.98Å; H517-S520 PolarHBondContact O-OG 2.79Å; H517-N521 PolarHBondContact O-N 3.3Å; H517-Q522 WeakPolarHBondContact CB-O 3.46Å; H517-Q522 PolarHBondContact N-O 3.46Å; H517-I537 HydrophobicContact CB-CG2 4.14Å
518V96.7Very high96.2Very high54 Ų5447 Ų4733%0.32726%0.256SS..THydrogen-bonded Turntrans-64.6-38.7-165.4176.80000112L505 E507 L516 S520 N521L505-V518 HydrophobicContact CB-CB 4.29Å; L505-V518 HydrophobicContact CD2-CB 3.78Å; L505-V518 HydrophobicContact CD2-CG1 3.77Å; L505-V518 HydrophobicContact CD2-CG2 3.99Å; L505-V518 HydrophobicContact CG-CB 3.94Å; L505-V518 HydrophobicContact CG-CG1 4.47Å; L505-V518 HydrophobicContact CG-CG2 3.83Å; L505-V518 PolarHBondContact O-N 2.93Å; E507-V518 HydrophobicContact CB-CG2 3.98Å; L516-V518 PolarHBondContact O-N 2.7Å; V518-S520 PolarHBondContact O-N 3.35Å; V518-N521 PolarHBondContact O-N 3.27Å
519N95.6Very high95.2Very high109 Ų10954.4 Ų54.458%0.58329%0.292SS*.THydrogen-bonded Turntrans-69.2-33.8-175.7-172.435.1000113.3G502 H517G502-N519 WeakPolarHBondContact O-CB 3.36Å; H517-N519 VanDerWaalsContact C-N 3.35Å; H517-N519 PolarHBondContact O-N 2.92Å
520S96.2Very high94.3Very high24 Ų2461.3 Ų61.317%0.16832%0.323CS..THydrogen-bonded Turntrans-95.5-12.9178.162.50000113.7H517 V518 Q522 I537H517-S520 WeakPolarHBondContact ND1-CB 3.25Å; H517-S520 PolarHBondContact ND1-N 2.87Å; H517-S520 PolarHBondContact ND1-OG 3.42Å; H517-S520 PolarHBondContact O-N 2.98Å; H517-S520 PolarHBondContact O-OG 2.79Å; V518-S520 PolarHBondContact O-N 3.35Å; S520-Q522 PolarHBondContact O-N 3.3Å; S520-Q522 WeakPolarHBondContact OG-CB 3.48Å; S520-Q522 PolarHBondContact OG-N 2.82Å; S520-I537 VanDerWaalsContact OG-CD1 3.26Å; S520-I537 WeakPolarHBondContact OG-CD1 3.29Å
521N97.1Very high93.7Very high119 Ų11959.6 Ų59.664%0.63631%0.309SS*.THydrogen-bonded Turntrans55.237.2-168.8-163.347.1000112.9H517 V518H517-N521 PolarHBondContact O-N 3.3Å; V518-N521 PolarHBondContact O-N 3.27Å
522Q98.1Very high93.1Very high5 Ų557.3 Ų57.32%0.02330%0.299CS..EExtended strand (participates in β ladder)trans-122.5150.8-180-64.9-166.4-65.600110.3N489 H517 S520 I537 R538 D539N489-Q522 PolarHBondContact OD1-NE2 3.45Å; H517-Q522 WeakPolarHBondContact CB-O 3.46Å; H517-Q522 PolarHBondContact N-O 3.46Å; S520-Q522 PolarHBondContact O-N 3.3Å; S520-Q522 WeakPolarHBondContact OG-CB 3.48Å; S520-Q522 PolarHBondContact OG-N 2.82Å; Q522-I537 HydrophobicContact CB-CB 3.94Å; Q522-I537 HydrophobicContact CB-CD1 4.05Å; Q522-I537 HydrophobicContact CB-CG1 4.28Å; Q522-R538 CarbonylContact C-O 3.53Å; Q522-R538 WeakPolarHBondContact CA-O 3.3Å; Q522-R538 VanDerWaalsContact CB-O 3.26Å; Q522-R538 WeakPolarHBondContact CB-O 3.29Å; Q522-D539 PolarHBondContact NE2-OD1 3.33Å
523C98.4Very high92.8Very high4 Ų454.9 Ų54.93%0.02729%0.29CS..EExtended strand (participates in β ladder)trans-97.4145.7-176.1-730000111L515 D525 I537 R538 C540 Q546L515-C523 CarbonylContact O-C 3.46Å; L515-C523 WeakPolarHBondContact O-CA 3.18Å; C523-D525 PolarHBondContact O-N 3.44Å; C523-I537 CarbonylContact O-C 3.6Å; C523-I537 VanDerWaalsContact O-CA 3.27Å; C523-I537 WeakPolarHBondContact O-CA 3.35Å; C523-R538 PolarHBondContact N-O 2.83Å; C523-R538 PolarHBondContact O-N 3.36Å; C523-C540 HydrophobicContact CB-CB 4.01Å; C523-C540 WeakPolarHBondContact CB-SG 3.14Å; C523-C540 PolarHBondContact N-SG 3.27Å; C523-C540 WeakPolarHBondContact SG-CB 3.43Å; C523-C540 CovalentContact SG-SG 2.05Å; C523-C540 PolarHBondContact SG-SG 3.4Å; C523-Q546 HydrophobicContact CB-CB 4.46Å; C523-Q546 HydrophobicContact CB-CG 4.44Å
524L98.3Very high92.6Very high1 Ų153.6 Ų53.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-61.2123.5170.1-175.666.4000109.6L443 V492 W506 L515 P535 Q546 W548L443-L524 HydrophobicContact CD1-CD2 4.17Å; V492-L524 HydrophobicContact CG2-CD1 3.55Å; W506-L524 HydrophobicContact CH2-CD1 4.39Å; W506-L524 HydrophobicContact CZ3-CB 4.1Å; L515-L524 HydrophobicContact CB-CB 3.94Å; L515-L524 HydrophobicContact CB-CD2 4.43Å; L515-L524 HydrophobicContact CD1-CD2 3.74Å; L515-L524 PolarHBondContact O-N 3.32Å; L524-P535 HydrophobicContact CD1-CB 3.94Å; L524-Q546 WeakPolarHBondContact O-CA 3.18Å; L524-W548 HydrophobicContact CD2-CD2 4Å; L524-W548 PolarHBondContact O-NE1 2.85Å; L524-W548 HydrophobicContact CG-CZ2 3.81Å; L524-W548 HydrophobicContact CD2-CH2 4.45Å; L524-W548 HydrophobicContact CD2-CZ2 3.88Å; L524-W548 HydrophobicContact CD2-CG 4.36Å
525D97.3Very high92.5Very high18 Ų1852.9 Ų52.910%0.09628%0.279CS..EExtended strand (participates in β ladder)trans-116.4158.3178.7-146.9-27.1000110.3C523 P535 S536 R538 S545 Q546C523-D525 PolarHBondContact O-N 3.44Å; D525-P535 VanDerWaalsContact O-CB 3.29Å; D525-P535 WeakPolarHBondContact O-CB 3.41Å; D525-S536 WeakPolarHBondContact CA-O 3.04Å; D525-S536 PolarHBondContact N-O 3.46Å; D525-S536 PolarHBondContact O-N 3.26Å; D525-R538 HydrophobicContact CB-CB 4.13Å; D525-R538 HydrophobicContact CB-CG 3.88Å; D525-S545 VanDerWaalsContact OD1-C 3.3Å; D525-S545 WeakPolarHBondContact OD1-CB 3.45Å; D525-S545 PolarHBondContact OD1-OG 3.45Å; D525-Q546 HydrophobicContact CB-CG 3.94Å; D525-Q546 VanDerWaalsContact CG-CG 3.41Å; D525-Q546 WeakPolarHBondContact OD2-CG 3.48Å; D525-Q546 PolarHBondContact OD2-NE2 2.9Å
526K93.9Very high92.4Very high59 Ų5953.4 Ų53.426%0.25728%0.283SS..PPolyproline II helixtrans-62.2169.817675.1177.9-176.51660111E438 T439 S545E438-K526 IonicContact OE1-NZ 3.64Å; E438-K526 PolarHBondContact OE1-NZ 3.02Å; T439-K526 HydrophobicContact CG2-CB 4.37Å; T439-K526 HydrophobicContact CG2-CD 3.64Å; K526-S545 PolarHBondContact N-O 3Å
527A89.5Confident92.4Very high13 Ų1351.6 Ų51.611%0.10727%0.273CS..PPolyproline II helixtrans-60.4137.9170.700000112.1I456 D531 S532 V534I456-A527 HydrophobicContact CD1-CB 4.11Å; A527-D531 WeakPolarHBondContact CB-O 3.1Å; A527-S532 VanDerWaalsContact CB-C 3.41Å; A527-S532 WeakPolarHBondContact CB-O 3.37Å; A527-V534 VanDerWaalsContact CA-O 3.31Å; A527-V534 WeakPolarHBondContact CA-O 3.42Å
528T85.1Confident92.3Very high47 Ų4755.8 Ų55.829%0.28829%0.289SS..PPolyproline II helixtrans-77164.4172.460.20000110.3E530 D531 S532T528-E530 PolarHBondContact O-N 3.19Å; T528-D531 CarbonylContact O-C 3.24Å; T528-D531 VanDerWaalsContact O-C 3.24Å; T528-D531 PolarHBondContact O-N 3.45Å; T528-S532 VanDerWaalsContact O-CA 3.25Å; T528-S532 WeakPolarHBondContact O-CA 3.35Å; T528-S532 PolarHBondContact O-N 2.81Å
529E79.1Confident92.3Very high198 Ų19858.3 Ų58.393%0.92530%0.3SS*.SBendtrans-61.8-28.7176-65.5-175.2173.600112.6
530E78.1Confident92.4Very high189 Ų18956.1 Ų56.188%0.88329%0.293SS*.THydrogen-bonded Turntrans-70.4-35.1178.5-63.8176.7173.900113.4T528T528-E530 PolarHBondContact O-N 3.19Å
531D81.7Confident92.4Very high57 Ų5759.9 Ų59.931%0.30531%0.311SS..THydrogen-bonded Turntrans-132.469.9177.2-164.7-10.3000108.8K453 A527 T528 Q533 V534K453-D531 IonicContact NZ-OD2 3.98Å; K453-D531 PolarHBondContact NZ-OD2 2.92Å; A527-D531 WeakPolarHBondContact CB-O 3.1Å; T528-D531 CarbonylContact O-C 3.24Å; T528-D531 VanDerWaalsContact O-C 3.24Å; T528-D531 PolarHBondContact O-N 3.45Å; D531-Q533 PolarHBondContact O-N 2.79Å; D531-V534 WeakPolarHBondContact OD2-CG2 3.49Å; D531-V534 WeakPolarHBondContact OD2-CB 3.42Å; D531-V534 WeakPolarHBondContact OD1-CG2 3.43Å; D531-V534 VanDerWaalsContact CG-CB 3.49Å; D531-V534 PolarHBondContact O-N 3.22Å; D531-V534 HydrophobicContact CB-CB 4.34Å
532S83.9Confident92.2Very high82 Ų8256.5 Ų56.557%0.57330%0.304SS*.THydrogen-bonded Turntrans-58.5-7.1-166.463.50000116.5A527 T528A527-S532 VanDerWaalsContact CB-C 3.41Å; A527-S532 WeakPolarHBondContact CB-O 3.37Å; T528-S532 VanDerWaalsContact O-CA 3.25Å; T528-S532 WeakPolarHBondContact O-CA 3.35Å; T528-S532 PolarHBondContact O-N 2.81Å
533Q88.9Confident92.1Very high82 Ų8258 Ų5838%0.38332%0.315SS..THydrogen-bonded Turntrans-116-4.5178.1-66.3-167.9-12.900114G455 I456 D531G455-Q533 CarbonylContact C-O 3.56Å; G455-Q533 WeakPolarHBondContact CA-O 3.42Å; I456-Q533 PolarHBondContact N-O 2.04Å; D531-Q533 PolarHBondContact O-N 2.79Å
534V93.9Very high92.1Very high9 Ų965 Ų656%0.05534%0.341CS..  trans-115.8115.3-171175.10000110.4K453 P491 A527 D531K453-V534 HydrophobicContact CB-CG1 4.02Å; K453-V534 HydrophobicContact CB-CG2 4.18Å; K453-V534 HydrophobicContact CD-CB 4.49Å; K453-V534 HydrophobicContact CD-CG1 3.83Å; K453-V534 HydrophobicContact CD-CG2 3.91Å; K453-V534 HydrophobicContact CG-CG1 4.2Å; P491-V534 HydrophobicContact CB-CG1 3.69Å; A527-V534 VanDerWaalsContact CA-O 3.31Å; A527-V534 WeakPolarHBondContact CA-O 3.42Å; D531-V534 WeakPolarHBondContact OD2-CG2 3.49Å; D531-V534 WeakPolarHBondContact OD2-CB 3.42Å; D531-V534 WeakPolarHBondContact OD1-CG2 3.43Å; D531-V534 VanDerWaalsContact CG-CB 3.49Å; D531-V534 PolarHBondContact O-N 3.22Å; D531-V534 HydrophobicContact CB-CB 4.34Å
535P96.1Very high92Very high0 Ų065.7 Ų65.70%035%0.346CS..  trans-68.8153.517227.1-26.5000111L443 V454 I456 V492 L524 D525L443-P535 HydrophobicContact CD2-CB 4.49Å; L443-P535 HydrophobicContact CD2-CG 3.89Å; V454-P535 HydrophobicContact CG1-CG 3.53Å; V454-P535 VanDerWaalsContact O-CD 3.3Å; V454-P535 WeakPolarHBondContact O-CD 3.11Å; I456-P535 HydrophobicContact CD1-CB 3.95Å; I456-P535 HydrophobicContact CD1-CG 4.3Å; I456-P535 HydrophobicContact CG1-CB 4.36Å; I456-P535 HydrophobicContact CG1-CG 4.16Å; V492-P535 PolarHBondContact N-O 3.02Å; V492-P535 VanDerWaalsContact N-O 3.1Å; L524-P535 HydrophobicContact CD1-CB 3.94Å; D525-P535 VanDerWaalsContact O-CB 3.29Å; D525-P535 WeakPolarHBondContact O-CB 3.41Å
536S96.2Very high92Very high11 Ų1164.8 Ų64.88%0.07734%0.341CS..EExtended strand (participates in β ladder)trans-132.8162.4175.559.10000110G490 D525 R538G490-S536 CarbonylContact O-C 3.52Å; G490-S536 VanDerWaalsContact O-CA 3.22Å; G490-S536 WeakPolarHBondContact O-CA 3.06Å; G490-S536 WeakPolarHBondContact O-CB 3.38Å; D525-S536 WeakPolarHBondContact CA-O 3.04Å; D525-S536 PolarHBondContact N-O 3.46Å; D525-S536 PolarHBondContact O-N 3.26Å; S536-R538 PolarHBondContact OG-NE 3.12Å
537I97.3Very high92.2Very high0 Ų064.2 Ų64.20%034%0.339CS..EExtended strand (participates in β ladder)trans-85.3145165.659168.4000109.6V485 N489 G490 V492 W506 H517 S520 Q522 C523V485-I537 HydrophobicContact CB-CD1 4.19Å; V485-I537 HydrophobicContact CG1-CD1 3.37Å; V485-I537 HydrophobicContact CG1-CG1 3.8Å; V485-I537 HydrophobicContact CG1-CG2 4.48Å; V485-I537 HydrophobicContact CG2-CG2 3.94Å; N489-I537 CarbonylContact C-O 3.55Å; N489-I537 VanDerWaalsContact CA-O 3.24Å; N489-I537 WeakPolarHBondContact CA-O 3.11Å; G490-I537 PolarHBondContact O-N 3.32Å; V492-I537 HydrophobicContact CG2-CG2 4.33Å; W506-I537 HydrophobicContact CH2-CG2 3.88Å; W506-I537 HydrophobicContact CZ3-CG2 4.23Å; H517-I537 HydrophobicContact CB-CG2 4.14Å; S520-I537 VanDerWaalsContact OG-CD1 3.26Å; S520-I537 WeakPolarHBondContact OG-CD1 3.29Å; Q522-I537 HydrophobicContact CB-CB 3.94Å; Q522-I537 HydrophobicContact CB-CD1 4.05Å; Q522-I537 HydrophobicContact CB-CG1 4.28Å; C523-I537 CarbonylContact O-C 3.6Å; C523-I537 VanDerWaalsContact O-CA 3.27Å; C523-I537 WeakPolarHBondContact O-CA 3.35Å
538R96.9Very high92.6Very high90 Ų9063.6 Ų63.634%0.3433%0.334SS..EExtended strand (participates in β ladder)trans-143.2165.7176.4-65.3-64178.2163.42.5110.6Q522 C523 D525 S536 C540Q522-R538 CarbonylContact C-O 3.53Å; Q522-R538 WeakPolarHBondContact CA-O 3.3Å; Q522-R538 VanDerWaalsContact CB-O 3.26Å; Q522-R538 WeakPolarHBondContact CB-O 3.29Å; C523-R538 PolarHBondContact N-O 2.83Å; C523-R538 PolarHBondContact O-N 3.36Å; D525-R538 HydrophobicContact CB-CB 4.13Å; D525-R538 HydrophobicContact CB-CG 3.88Å; S536-R538 PolarHBondContact OG-NE 3.12Å; R538-C540 PolarHBondContact O-N 2.88Å
539D97.8Very high93.2Very high108 Ų10863.7 Ų63.758%0.57833%0.333SS*.EExtended strand (participates in β ladder)trans-55131.1174.5-63.5-22.5000110.3Q522 N541 Q546Q522-D539 PolarHBondContact NE2-OD1 3.33Å; D539-N541 PolarHBondContact O-N 3.43Å; D539-N541 VanDerWaalsContact O-N 3.16Å; D539-Q546 PolarHBondContact O-NE2 3.18Å
540C97.6Very high94Very high62 Ų6255.9 Ų55.942%0.41930%0.297SS..  trans-65.6116-175.8-64.70000110.1C523 R538C523-C540 HydrophobicContact CB-CB 4.01Å; C523-C540 WeakPolarHBondContact CB-SG 3.14Å; C523-C540 PolarHBondContact N-SG 3.27Å; C523-C540 WeakPolarHBondContact SG-CB 3.43Å; C523-C540 CovalentContact SG-SG 2.05Å; C523-C540 PolarHBondContact SG-SG 3.4Å; R538-C540 PolarHBondContact O-N 2.88Å
541N96Very high94.6Very high104 Ų10451.9 Ų51.956%0.55627%0.274SS*.  trans-123.4-5.7-176.563.425.6000113.2D539 S543 Q546D539-N541 PolarHBondContact O-N 3.43Å; D539-N541 VanDerWaalsContact O-N 3.16Å; N541-S543 PolarHBondContact OD1-OG 3.23Å; N541-S543 PolarHBondContact OD1-N 3.36Å; N541-S543 WeakPolarHBondContact OD1-CB 3.14Å; N541-S543 PolarHBondContact O-N 3.12Å; N541-Q546 VanDerWaalsContact OD1-CD 3.29Å; N541-Q546 PolarHBondContact OD1-OE1 2.61Å
542G92.6Very high94.9Very high47 Ų4753.6 Ų53.649%0.48528%0.283SS..  trans71.811.5178.900000114.7Q547G542-Q547 PolarHBondContact O-NE2 3.19Å
543S96.4Very high94.7Very high38 Ų3851.2 Ų51.227%0.26627%0.265SS..  trans-61.7160.6174.5700000111.3N541 S545 Q546 Q547N541-S543 PolarHBondContact OD1-OG 3.23Å; N541-S543 PolarHBondContact OD1-N 3.36Å; N541-S543 WeakPolarHBondContact OD1-CB 3.14Å; N541-S543 PolarHBondContact O-N 3.12Å; S543-S545 PolarHBondContact O-N 2.83Å; S543-S545 PolarHBondContact OG-N 3.2Å; S543-S545 PolarHBondContact OG-OG 3.12Å; S543-Q546 PolarHBondContact OG-N 2.9Å; S543-Q546 VanDerWaalsContact O-N 3.12Å; S543-Q546 PolarHBondContact O-N 2.8Å; S543-Q547 WeakPolarHBondContact O-CG 3.41Å
544R97.1Very high93.8Very high151 Ų15153.1 Ų53.157%0.5728%0.282SS*.G310 helixtrans-62.7-23.7172.2-67.7-173.863.2157.5-0.6112.8V437 E438 Q546 Q547V437-R544 PolarHBondContact O-NH2 2.67Å; E438-R544 HydrophobicContact CB-CB 3.96Å; E438-R544 HydrophobicContact CG-CB 4.45Å; R544-Q546 PolarHBondContact O-N 2.96Å; R544-Q547 PolarHBondContact O-N 2.79Å
545S96.6Very high92.3Very high14 Ų1455 Ų5510%0.09829%0.292CS..G310 helixtrans-66.8-26.1176.675.50000112.7N436 E438 D525 K526 S543N436-S545 PolarHBondContact ND2-O 2.99Å; E438-S545 WeakPolarHBondContact OE2-CA 3.35Å; E438-S545 WeakPolarHBondContact OE2-CB 3.32Å; E438-S545 PolarHBondContact OE2-N 2.9Å; E438-S545 VanDerWaalsContact OE2-N 3.12Å; D525-S545 VanDerWaalsContact OD1-C 3.3Å; D525-S545 WeakPolarHBondContact OD1-CB 3.45Å; D525-S545 PolarHBondContact OD1-OG 3.45Å; K526-S545 PolarHBondContact N-O 3Å; S543-S545 PolarHBondContact O-N 2.83Å; S543-S545 PolarHBondContact OG-N 3.2Å; S543-S545 PolarHBondContact OG-OG 3.12Å
546Q97.8Very high90.4Very high0 Ų059.4 Ų59.40%032%0.32CS..G310 helixtrans-98.96.1177.3-64.2-178.1-3.800113.9C523 L524 D525 D539 N541 S543 R544 W548C523-Q546 HydrophobicContact CB-CB 4.46Å; C523-Q546 HydrophobicContact CB-CG 4.44Å; L524-Q546 WeakPolarHBondContact O-CA 3.18Å; D525-Q546 HydrophobicContact CB-CG 3.94Å; D525-Q546 VanDerWaalsContact CG-CG 3.41Å; D525-Q546 WeakPolarHBondContact OD2-CG 3.48Å; D525-Q546 PolarHBondContact OD2-NE2 2.9Å; D539-Q546 PolarHBondContact O-NE2 3.18Å; N541-Q546 VanDerWaalsContact OD1-CD 3.29Å; N541-Q546 PolarHBondContact OD1-OE1 2.61Å; S543-Q546 PolarHBondContact OG-N 2.9Å; S543-Q546 VanDerWaalsContact O-N 3.12Å; S543-Q546 PolarHBondContact O-N 2.8Å; R544-Q546 PolarHBondContact O-N 2.96Å; Q546-W548 VanDerWaalsContact O-CD1 3.28Å
547Q98.3Very high87.9Confident47 Ų4766.8 Ų66.822%0.2235%0.354CS..BIsolated β-bridgetrans-97124.7179-70.1176.8-0.400110.9V437 K512 L513 G542 S543 R544V437-Q547 HydrophobicContact CB-CB 3.83Å; V437-Q547 HydrophobicContact CG1-CB 4.5Å; V437-Q547 HydrophobicContact CG2-CB 3.74Å; V437-Q547 WeakPolarHBondContact CG2-O 3.32Å; V437-Q547 PolarHBondContact N-O 2.96Å; K512-Q547 WeakPolarHBondContact O-CG 3.33Å; L513-Q547 HydrophobicContact CB-CB 4.09Å; L513-Q547 HydrophobicContact CB-CG 4.33Å; L513-Q547 CarbonylContact O-C 3.59Å; L513-Q547 WeakPolarHBondContact O-CA 3.28Å; G542-Q547 PolarHBondContact O-NE2 3.19Å; S543-Q547 WeakPolarHBondContact O-CG 3.41Å; R544-Q547 PolarHBondContact O-N 2.79Å
548W98.1Very high85.3Confident0 Ų071.3 Ų71.30%038%0.377CS..EExtended strand (participates in β ladder)trans-128.7122.5-174.4-60.490.4000111.1I434 R435 N436 L443 I456 Y508 L513 L515 L524 Q546I434-W548 HydrophobicContact CG2-CB 4.14Å; I434-W548 HydrophobicContact CG2-CD2 4.34Å; I434-W548 HydrophobicContact CG2-CE3 3.83Å; I434-W548 HydrophobicContact CG2-CG 4.5Å; R435-W548 CarbonylContact O-C 3.52Å; R435-W548 WeakPolarHBondContact O-CA 3.27Å; N436-W548 HydrophobicContact CB-CD2 4.43Å; N436-W548 HydrophobicContact CB-CE3 3.86Å; N436-W548 HydrophobicContact CB-CH2 3.89Å; N436-W548 HydrophobicContact CB-CZ2 4.42Å; N436-W548 HydrophobicContact CB-CZ3 3.59Å; N436-W548 WeakPolarHBondContact ND2-CZ2 3.32Å; L443-W548 HydrophobicContact CD2-CH2 3.97Å; L443-W548 HydrophobicContact CD2-CZ3 3.92Å; L443-W548 HydrophobicContact CG-CZ3 4.02Å; I456-W548 HydrophobicContact CD1-CH2 3.8Å; I456-W548 HydrophobicContact CG1-CH2 4.28Å; Y508-W548 WeakPolarHBondContact CE2-O 3.08Å; Y508-W548 PolarHBondContact OH-O 3.35Å; L513-W548 PolarHBondContact O-N 3.16Å; L515-W548 HydrophobicContact CD1-CB 4.05Å; L515-W548 HydrophobicContact CD1-CG 4.15Å; L524-W548 HydrophobicContact CD2-CD2 4Å; L524-W548 PolarHBondContact O-NE1 2.85Å; L524-W548 HydrophobicContact CG-CZ2 3.81Å; L524-W548 HydrophobicContact CD2-CH2 4.45Å; L524-W548 HydrophobicContact CD2-CZ2 3.88Å; L524-W548 HydrophobicContact CD2-CG 4.36Å; Q546-W548 VanDerWaalsContact O-CD1 3.28Å
549L97.3Very high82.5Confident49 Ų4978.7 Ų78.726%0.25741%0.412SS..EExtended strand (participates in β ladder)trans-88.3118.8173.5-65.6168.2000109.3R435 V437 L513 R551R435-L549 HydrophobicContact CB-CB 4.39Å; R435-L549 PolarHBondContact N-O 3.29Å; R435-L549 PolarHBondContact O-N 3.26Å; V437-L549 HydrophobicContact CG2-CD1 4.08Å; V437-L549 HydrophobicContact CG2-CG 3.82Å; L513-L549 HydrophobicContact CD1-CD2 3.64Å; L513-L549 HydrophobicContact CD1-CG 4.4Å; L513-L549 HydrophobicContact CD2-CD2 4.02Å; L513-L549 HydrophobicContact CG-CD2 4.45Å; L549-R551 HydrophobicContact CB-CG 4.34Å
550L95.9Very high81.7Confident33 Ų3377.3 Ų77.317%0.17340%0.404CS..EExtended strand (participates in β ladder)trans-85.6107.9168.8-87.555.5000108.1S430 I434 Y470 Y508 L515S430-L550 WeakPolarHBondContact OG-CD2 3.38Å; I434-L550 HydrophobicContact CG1-CD1 4.17Å; I434-L550 HydrophobicContact CG1-CG 4.27Å; I434-L550 HydrophobicContact CG2-CD1 4.11Å; Y470-L550 HydrophobicContact CD1-CD2 3.93Å; Y470-L550 HydrophobicContact CG-CD2 4.14Å; Y508-L550 HydrophobicContact CD1-CD2 3.87Å; Y508-L550 HydrophobicContact CD2-CD1 4.15Å; Y508-L550 HydrophobicContact CD2-CD2 4.39Å; Y508-L550 HydrophobicContact CE1-CB 4.44Å; Y508-L550 HydrophobicContact CE1-CD1 4.4Å; Y508-L550 HydrophobicContact CE1-CD2 3.99Å; Y508-L550 HydrophobicContact CE2-CD1 3.76Å; Y508-L550 HydrophobicContact CG-CD2 4.05Å; L515-L550 HydrophobicContact CD1-CD1 4.39Å
551R90.9Very high80.9Confident105 Ų10578.1 Ų78.140%0.39640%0.403SS..EExtended strand (participates in β ladder)trans-114.3120.6-179.1-69.3173.2173.2-167.51.4109.9G432 E433 L549 V553G432-R551 CarbonylContact C-O 3.58Å; G432-R551 VanDerWaalsContact CA-O 3.29Å; G432-R551 WeakPolarHBondContact CA-O 3.31Å; E433-R551 HydrophobicContact CG-CB 3.66Å; E433-R551 HydrophobicContact CG-CG 4.49Å; E433-R551 PolarHBondContact N-O 3Å; E433-R551 PolarHBondContact O-N 2.72Å; E433-R551 WeakPolarHBondContact OE1-CD 3.19Å; E433-R551 IonicContact OE1-NH1 3.87Å; E433-R551 PolarHBondContact OE1-NH1 2.99Å; L549-R551 HydrophobicContact CB-CG 4.34Å; R551-V553 PolarHBondContact O-N 3.33Å
552N86.9Confident80Confident94 Ų9476.6 Ų76.650%0.50339%0.394SS..EExtended strand (participates in β ladder)trans-66.9133.8176.2-68.8-24.4000110.1S430 L431 T554S430-N552 WeakPolarHBondContact CA-OD1 3.3Å; S430-N552 WeakPolarHBondContact CB-OD1 3.21Å; L431-N552 PolarHBondContact N-OD1 3.12Å; L431-N552 VanDerWaalsContact O-CA 3.28Å; L431-N552 WeakPolarHBondContact O-CA 3.25Å; N552-T554 PolarHBondContact O-N 2.76Å
553V80.9Confident79.3Confident31 Ų3178.4 Ų78.419%0.18839%0.389CS..  trans-78.1109170.6173.50000107I383 L431 R551I383-V553 WeakPolarHBondContact CD1-O 3.18Å; I383-V553 HydrophobicContact CG1-CB 4.48Å; I383-V553 HydrophobicContact CG1-CG1 4.14Å; I383-V553 HydrophobicContact CG2-CB 3.89Å; I383-V553 HydrophobicContact CG2-CG1 3.91Å; I383-V553 HydrophobicContact CG2-CG2 4.46Å; L431-V553 PolarHBondContact O-N 3.23Å; R551-V553 PolarHBondContact O-N 3.33Å
554T68.4Low78.2Confident122 Ų12280.9 Ų80.975%0.74840%0.397SS*.PPolyproline II helixtrans-77.9127165.848.40000108.1N552N552-T554 PolarHBondContact O-N 2.76Å
555L64.3Low77Confident49 Ų4976.2 Ų76.226%0.25739%0.385SS..PPolyproline II helixtrans-57.6140.4166.7-70.6169.9000108.1N379 Y382 I383 E557N379-L555 HydrophobicContact CB-CD1 3.72Å; N379-L555 WeakPolarHBondContact OD1-CD1 3.12Å; Y382-L555 HydrophobicContact CD2-CD1 4.14Å; I383-L555 HydrophobicContact CG1-CD2 3.73Å; I383-L555 HydrophobicContact CG1-CG 3.91Å; L555-E557 PolarHBondContact O-N 3.18Å
556P56.1Low75.6Confident92 Ų9280.6 Ų80.660%0.59741%0.406SS*.PPolyproline II helixtrans-53.5140.1166.9-12.624.4000107.6I558P556-I558 HydrophobicContact CB-CD1 4.5Å; P556-I558 PolarHBondContact O-N 3.4Å; P556-I558 HydrophobicContact CG-CG1 4.44Å; P556-I558 HydrophobicContact CG-CD1 4.47Å; P556-I558 HydrophobicContact CB-CG1 3.94Å
557E42.6Very low73.9Confident166 Ų16686.8 Ų86.878%0.77644%0.437SS*.  trans-63.185.4166.2-70.9-177.9171.500107.1L555 F559L555-E557 PolarHBondContact O-N 3.18Å; E557-F559 HydrophobicContact CB-CE2 4Å; E557-F559 HydrophobicContact CB-CZ 4.43Å; E557-F559 WeakPolarHBondContact O-CD2 3.45Å; E557-F559 PolarHBondContact O-N 2.68Å
558I43.3Very low71.8Confident96 Ų9690.2 Ų90.249%0.49246%0.455SS..  trans-86.697.7173.8-56.9176.5000104.9T389 P556T389-I558 HydrophobicContact CG2-CD1 4.48Å; P556-I558 HydrophobicContact CB-CD1 4.5Å; P556-I558 PolarHBondContact O-N 3.4Å; P556-I558 HydrophobicContact CG-CG1 4.44Å; P556-I558 HydrophobicContact CG-CD1 4.47Å; P556-I558 HydrophobicContact CB-CG1 3.94Å
559F36.9Very low69.4Low245 Ų24598.4 Ų98.4100%1.07550%0.496SS*.  trans-61.20173.2-69.8-86.2000112.4E557E557-F559 HydrophobicContact CB-CE2 4Å; E557-F559 HydrophobicContact CB-CZ 4.43Å; E557-F559 WeakPolarHBondContact O-CD2 3.45Å; E557-F559 PolarHBondContact O-N 2.68Å

Retrieved 559 of 559 residues in 4017.2 ms (Link to these results)

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