A0A3Q0KJL0_SCHMA Loading...

Valine--tRNA ligase

Catalyzes the attachment of valine to tRNA(Val) in a two-step reaction: valine is first activated by ATP to form Val-AMP and then transferred to the acceptor end of tRNA(Val).

AlphaFold DB , UniProt , Accession A0A3Q0KJL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,288 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
1M34.1Very low47.9Very low242 Ų242127.5 Ų127.5100%1.19270%0.697SS**  0115.60-84.1-180160.700105.8E3M1-E3 PolarHBondContact O-N 2.75Å
2D36.4Very low49.4Very low166 Ų166130.3 Ų130.389%0.88870%0.697SS**  trans-48.8128-174.9-75.1-41.5000111.7S4D2-S4 PolarHBondContact O-N 3.37Å
3E38.8Very low50.6Low190 Ų190131.8 Ų131.889%0.88869%0.694SS**  trans-62.998.2172.2-71.8-175.2160.900108.3M1 V5M1-E3 PolarHBondContact O-N 2.75Å; E3-V5 PolarHBondContact O-N 3.38Å
4S42.5Very low52Low108 Ų108129.4 Ų129.476%0.75568%0.681SS**  trans-57.1111.9-179.358.10000110.2D2D2-S4 PolarHBondContact O-N 3.37Å
5V45Very low53.5Low133 Ų133123.7 Ų123.781%0.80666%0.659SS**PPolyproline II helixtrans-54.3124172.2-179.40000108.8E3 S7E3-V5 PolarHBondContact O-N 3.38Å; V5-S7 PolarHBondContact O-N 2.57Å
6P43.6Very low54.6Low65 Ų65125.9 Ų125.942%0.42266%0.661SS.*PPolyproline II helixtrans-60.4138.4-178.4-2231.6000111.5Q10 S11P6-Q10 HydrophobicContact CB-CB 3.88Å; P6-S11 PolarHBondContact O-OG 3.04Å
7S50.3Low55.5Low64 Ų64129.8 Ų129.845%0.44867%0.665SS.*PPolyproline II helixtrans-58.5154.1178.470.40000112V5 C9 Q10 S11V5-S7 PolarHBondContact O-N 2.57Å; S7-C9 PolarHBondContact O-N 3.01Å; S7-Q10 CarbonylContact O-C 3.44Å; S7-Q10 WeakPolarHBondContact O-CA 3.44Å; S7-Q10 WeakPolarHBondContact O-CB 3.18Å; S7-Q10 PolarHBondContact O-N 3.48Å; S7-Q10 PolarHBondContact OG-N 2.95Å; S7-S11 PolarHBondContact O-N 3.33Å; S7-S11 PolarHBondContact O-OG 3.02Å; S7-S11 VanDerWaalsContact O-OG 3.13Å
8K57.2Low56.6Low189 Ų189129.1 Ų129.182%0.82266%0.658SS**Hα-helixtrans-45.6-33.7176.6-102.4-180178.6172.70113.9K12K8-K12 WeakPolarHBondContact O-CB 3.5Å; K8-K12 WeakPolarHBondContact O-CG 3.34Å; K8-K12 PolarHBondContact O-N 2.77Å; K8-K12 VanDerWaalsContact O-N 3.09Å
9C56.5Low57.7Low80 Ų80130.8 Ų130.854%0.54166%0.661SS.*Hα-helixtrans-76.2-37.4177.6-164.70000112.7S7 K13S7-C9 PolarHBondContact O-N 3.01Å; C9-K13 PolarHBondContact O-N 3.45Å; C9-K13 VanDerWaalsContact O-N 3.07Å
10Q57.3Low58.5Low111 Ų111132.5 Ų132.552%0.51966%0.663SS.*Hα-helixtrans-67.7-43.4172.3-74.6171.7-17.300110.9P6 S7 K12 K13 L14P6-Q10 HydrophobicContact CB-CB 3.88Å; S7-Q10 CarbonylContact O-C 3.44Å; S7-Q10 WeakPolarHBondContact O-CA 3.44Å; S7-Q10 WeakPolarHBondContact O-CB 3.18Å; S7-Q10 PolarHBondContact O-N 3.48Å; S7-Q10 PolarHBondContact OG-N 2.95Å; Q10-K12 VanDerWaalsContact C-N 3.34Å; Q10-K12 PolarHBondContact O-N 3.1Å; Q10-K13 PolarHBondContact O-N 3.01Å; Q10-K13 VanDerWaalsContact O-N 3.1Å; Q10-L14 PolarHBondContact O-N 3.26Å
11S65.7Low58.8Low55 Ų55131.3 Ų131.339%0.38566%0.657SS.*Hα-helixtrans-61.6-39.5175.5-38.40000111.9P6 S7 L14 A15P6-S11 PolarHBondContact O-OG 3.04Å; S7-S11 PolarHBondContact O-N 3.33Å; S7-S11 PolarHBondContact O-OG 3.02Å; S7-S11 VanDerWaalsContact O-OG 3.13Å; S11-L14 PolarHBondContact O-N 2.83Å; S11-A15 VanDerWaalsContact O-CB 3.29Å; S11-A15 WeakPolarHBondContact O-CB 3.47Å; S11-A15 PolarHBondContact O-N 3.1Å
12K64.9Low60.8Low160 Ų160122.3 Ų122.370%0.69662%0.621SS**Hα-helixtrans-64.6-38.2172.9-82.5-176.9179.3-178.90112.9K8 Q10 K16K8-K12 WeakPolarHBondContact O-CB 3.5Å; K8-K12 WeakPolarHBondContact O-CG 3.34Å; K8-K12 PolarHBondContact O-N 2.77Å; K8-K12 VanDerWaalsContact O-N 3.09Å; Q10-K12 VanDerWaalsContact C-N 3.34Å; Q10-K12 PolarHBondContact O-N 3.1Å; K12-K16 WeakPolarHBondContact O-CB 3.39Å; K12-K16 PolarHBondContact O-N 2.98Å
13K66.1Low62.7Low151 Ų151122.5 Ų122.566%0.65761%0.614SS**Hα-helixtrans-68.5-41.7175.1-79.4-177.7179178.50111.2C9 Q10 K16 R17C9-K13 PolarHBondContact O-N 3.45Å; C9-K13 VanDerWaalsContact O-N 3.07Å; Q10-K13 PolarHBondContact O-N 3.01Å; Q10-K13 VanDerWaalsContact O-N 3.1Å; K13-K16 PolarHBondContact O-N 3.35Å; K13-R17 WeakPolarHBondContact O-CB 3.3Å; K13-R17 PolarHBondContact O-N 2.98Å
14L69.7Low64.1Low98 Ų98119.2 Ų119.251%0.51360%0.597SS.*Hα-helixtrans-61-50.9175.1-13292.4000110.4Q10 S11 K16 R17 E18Q10-L14 PolarHBondContact O-N 3.26Å; S11-L14 PolarHBondContact O-N 2.83Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 3.01Å; L14-R17 CarbonylContact O-C 3.5Å; L14-R17 WeakPolarHBondContact O-CA 2.85Å; L14-R17 WeakPolarHBondContact O-CB 3.25Å; L14-R17 PolarHBondContact O-N 3.39Å; L14-E18 WeakPolarHBondContact O-CG 3.26Å; L14-E18 PolarHBondContact O-N 3.02Å
15A74.6Confident65.6Low43 Ų43119.2 Ų119.236%0.35559%0.585SS.*Hα-helixtrans-61.5-35.8177.800000112.9S11 R17 K19S11-A15 VanDerWaalsContact O-CB 3.29Å; S11-A15 WeakPolarHBondContact O-CB 3.47Å; S11-A15 PolarHBondContact O-N 3.1Å; A15-R17 VanDerWaalsContact C-N 3.35Å; A15-K19 WeakPolarHBondContact O-CB 3.47Å; A15-K19 WeakPolarHBondContact O-CG 3.37Å; A15-K19 PolarHBondContact O-N 2.78Å
16K71Confident67Low159 Ų159115.6 Ų115.669%0.69157%0.569SS**Hα-helixtrans-66.1-37.2171.7-103.8-175.7176179.60112K12 K13 L14 K20K12-K16 WeakPolarHBondContact O-CB 3.39Å; K12-K16 PolarHBondContact O-N 2.98Å; K13-K16 PolarHBondContact O-N 3.35Å; L14-K16 VanDerWaalsContact C-N 3.32Å; L14-K16 PolarHBondContact O-N 3.01Å; K16-K20 WeakPolarHBondContact O-CB 3.27Å; K16-K20 WeakPolarHBondContact O-CG 3.35Å; K16-K20 PolarHBondContact O-N 3.12Å; K16-K20 VanDerWaalsContact O-N 3.1Å
17R69.2Low68.4Low192 Ų192119.4 Ų119.473%0.72558%0.579SS**Hα-helixtrans-71.7-43.4179.1-163.4176.8179.7170.8-0.6110.8K13 L14 A15 K20 M21K13-R17 WeakPolarHBondContact O-CB 3.3Å; K13-R17 PolarHBondContact O-N 2.98Å; L14-R17 CarbonylContact O-C 3.5Å; L14-R17 WeakPolarHBondContact O-CA 2.85Å; L14-R17 WeakPolarHBondContact O-CB 3.25Å; L14-R17 PolarHBondContact O-N 3.39Å; A15-R17 VanDerWaalsContact C-N 3.35Å; R17-K20 PolarHBondContact O-N 3.09Å; R17-M21 VanDerWaalsContact O-CG 3.29Å; R17-M21 WeakPolarHBondContact O-CG 3.34Å; R17-M21 PolarHBondContact O-N 3.43Å
18E76Confident69.1Low117 Ų117120.9 Ų120.955%0.54758%0.579SS.*Hα-helixtrans-62.5-45.9173.4-72.8170.7175.200111.6L14 K20 M21 A22L14-E18 WeakPolarHBondContact O-CG 3.26Å; L14-E18 PolarHBondContact O-N 3.02Å; E18-K20 VanDerWaalsContact C-N 3.27Å; E18-K20 PolarHBondContact O-N 3.42Å; E18-M21 PolarHBondContact O-N 3.21Å; E18-A22 WeakPolarHBondContact O-CB 3.33Å; E18-A22 PolarHBondContact O-N 3.04Å
19K77.4Confident69.7Low163 Ų163118.4 Ų118.471%0.70957%0.57SS**Hα-helixtrans-60.2-35.4173.4-81.7-175176.7-176.30112.9A15 K23A15-K19 WeakPolarHBondContact O-CB 3.47Å; A15-K19 WeakPolarHBondContact O-CG 3.37Å; A15-K19 PolarHBondContact O-N 2.78Å; K19-K23 WeakPolarHBondContact O-CB 3.3Å; K19-K23 PolarHBondContact O-N 3.42Å
20K73.7Confident70.5Confident163 Ų163121 Ų12171%0.70957%0.572SS**Hα-helixtrans-70.7-43.1175.2-83.4-173.7175.6-171.70111.9K16 R17 E18 K23 F24K16-K20 WeakPolarHBondContact O-CB 3.27Å; K16-K20 WeakPolarHBondContact O-CG 3.35Å; K16-K20 PolarHBondContact O-N 3.12Å; K16-K20 VanDerWaalsContact O-N 3.1Å; R17-K20 PolarHBondContact O-N 3.09Å; E18-K20 VanDerWaalsContact C-N 3.27Å; E18-K20 PolarHBondContact O-N 3.42Å; K20-K23 PolarHBondContact O-N 3.22Å; K20-F24 WeakPolarHBondContact O-CB 3.38Å; K20-F24 PolarHBondContact O-N 2.9Å
21M65.9Low71Confident108 Ų108120.9 Ų120.953%0.53258%0.575SS.*Hα-helixtrans-62.5-49.2175.5-71.1-103.9-65.900110.8R17 E18 K23 F24 E25R17-M21 VanDerWaalsContact O-CG 3.29Å; R17-M21 WeakPolarHBondContact O-CG 3.34Å; R17-M21 PolarHBondContact O-N 3.43Å; E18-M21 PolarHBondContact O-N 3.21Å; M21-K23 VanDerWaalsContact C-N 3.33Å; M21-K23 PolarHBondContact O-N 3.45Å; M21-F24 CarbonylContact O-C 3.57Å; M21-F24 WeakPolarHBondContact O-CA 3.31Å; M21-F24 WeakPolarHBondContact O-CB 3.49Å; M21-F24 PolarHBondContact O-N 3.49Å; M21-E25 PolarHBondContact O-N 3.35Å
22A75.9Confident70.9Confident53 Ų53123.8 Ų123.844%0.43859%0.585SS.*Hα-helixtrans-61.4-38.2176.800000112.5E18 F24 A26E18-A22 WeakPolarHBondContact O-CB 3.33Å; E18-A22 PolarHBondContact O-N 3.04Å; A22-F24 VanDerWaalsContact C-N 3.31Å; A22-F24 PolarHBondContact O-N 2.95Å; A22-A26 WeakPolarHBondContact O-CB 3.27Å; A22-A26 PolarHBondContact O-N 3.34Å
23K74.7Confident70.5Confident171 Ų171118.1 Ų118.174%0.74357%0.566SS**Hα-helixtrans-64.7-35.7171.8-108.5-175.3174.2-177.80112.5K19 K20 M21 K27K19-K23 WeakPolarHBondContact O-CB 3.3Å; K19-K23 PolarHBondContact O-N 3.42Å; K20-K23 PolarHBondContact O-N 3.22Å; M21-K23 VanDerWaalsContact C-N 3.33Å; M21-K23 PolarHBondContact O-N 3.45Å; K23-K27 VanDerWaalsContact O-CB 3.31Å; K23-K27 WeakPolarHBondContact O-CB 3.39Å; K23-K27 PolarHBondContact O-N 2.87Å; K23-K27 VanDerWaalsContact O-N 3.09Å
24F68.9Low70.1Confident121 Ų121114.2 Ų114.253%0.53155%0.552SS.*Hα-helixtrans-72.4-46.3178.3-178.6-98.9000111.1K20 M21 A22 K27 Q28K20-F24 WeakPolarHBondContact O-CB 3.38Å; K20-F24 PolarHBondContact O-N 2.9Å; M21-F24 CarbonylContact O-C 3.57Å; M21-F24 WeakPolarHBondContact O-CA 3.31Å; M21-F24 WeakPolarHBondContact O-CB 3.49Å; M21-F24 PolarHBondContact O-N 3.49Å; A22-F24 VanDerWaalsContact C-N 3.31Å; A22-F24 PolarHBondContact O-N 2.95Å; F24-K27 WeakPolarHBondContact O-CB 3.49Å; F24-K27 PolarHBondContact O-N 3.42Å; F24-Q28 HydrophobicContact CD1-CG 4.4Å; F24-Q28 HydrophobicContact CE1-CG 4.08Å; F24-Q28 HydrophobicContact CZ-CG 4.29Å; F24-Q28 WeakPolarHBondContact O-CG 3.33Å; F24-Q28 PolarHBondContact O-N 3.5Å
25E75.2Confident69.1Low108 Ų108112.2 Ų112.251%0.50555%0.549SS..Hα-helixtrans-61.3-47.2174.3-74.2172.5172.500111.2M21 K27 Q28 E29M21-E25 PolarHBondContact O-N 3.35Å; E25-K27 VanDerWaalsContact C-N 3.25Å; E25-K27 PolarHBondContact O-N 3.21Å; E25-Q28 CarbonylContact O-C 3.53Å; E25-Q28 WeakPolarHBondContact O-CA 3.45Å; E25-Q28 PolarHBondContact O-N 3.05Å; E25-E29 PolarHBondContact O-N 3.06Å
26A72.5Confident67.4Low56 Ų56113.1 Ų113.146%0.46355%0.553SS.*Hα-helixtrans-61.2-33.8174.700000112.5A22 K30A22-A26 WeakPolarHBondContact O-CB 3.27Å; A22-A26 PolarHBondContact O-N 3.34Å; A26-K30 WeakPolarHBondContact O-CB 3.33Å; A26-K30 PolarHBondContact O-N 3.45Å
27K74Confident65.8Low145 Ų145112.8 Ų112.863%0.6355%0.552SS**Hα-helixtrans-70.4-36.8173.7-168.2177.6-179.7-175.80111.3K23 F24 E25 L31K23-K27 VanDerWaalsContact O-CB 3.31Å; K23-K27 WeakPolarHBondContact O-CB 3.39Å; K23-K27 PolarHBondContact O-N 2.87Å; K23-K27 VanDerWaalsContact O-N 3.09Å; F24-K27 WeakPolarHBondContact O-CB 3.49Å; F24-K27 PolarHBondContact O-N 3.42Å; E25-K27 VanDerWaalsContact C-N 3.25Å; E25-K27 PolarHBondContact O-N 3.21Å; K27-L31 WeakPolarHBondContact O-CB 3.28Å; K27-L31 WeakPolarHBondContact O-CD1 3.33Å; K27-L31 VanDerWaalsContact O-CG 3.28Å; K27-L31 WeakPolarHBondContact O-CG 3.43Å; K27-L31 PolarHBondContact O-N 3.42Å
28Q63.9Low64Low95 Ų95109.9 Ų109.944%0.44455%0.551SS.*Hα-helixtrans-71.2-44.4175-73.2-157-1400112.5F24 E25 K30 L31 L32F24-Q28 HydrophobicContact CD1-CG 4.4Å; F24-Q28 HydrophobicContact CE1-CG 4.08Å; F24-Q28 HydrophobicContact CZ-CG 4.29Å; F24-Q28 WeakPolarHBondContact O-CG 3.33Å; F24-Q28 PolarHBondContact O-N 3.5Å; E25-Q28 CarbonylContact O-C 3.53Å; E25-Q28 WeakPolarHBondContact O-CA 3.45Å; E25-Q28 PolarHBondContact O-N 3.05Å; Q28-K30 VanDerWaalsContact C-N 3.28Å; Q28-K30 PolarHBondContact O-N 2.86Å; Q28-L31 CarbonylContact O-C 3.54Å; Q28-L31 WeakPolarHBondContact O-CB 3.46Å; Q28-L31 PolarHBondContact O-N 3.04Å; Q28-L31 VanDerWaalsContact O-N 3.16Å; Q28-L32 WeakPolarHBondContact O-CB 3.33Å; Q28-L32 WeakPolarHBondContact O-CG 3.27Å; Q28-L32 PolarHBondContact O-N 3.3Å
29E71.3Confident61.9Low137 Ų137112.3 Ų112.364%0.6456%0.562SS**Hα-helixtrans-59.8-40.8172-79-172.3155.700110.8E25 L32 S33E25-E29 PolarHBondContact O-N 3.06Å; E29-L32 PolarHBondContact O-N 3.34Å; E29-S33 WeakPolarHBondContact O-CB 3.49Å; E29-S33 PolarHBondContact O-N 3.1Å; E29-S33 PolarHBondContact O-OG 3.2Å
30K71.9Confident59.6Low135 Ų135113.8 Ų113.859%0.58757%0.569SS**Hα-helixtrans-61.2-46.7173.6-167.6174.7-177.8179.50111.2A26 Q28 L32 S33 D34A26-K30 WeakPolarHBondContact O-CB 3.33Å; A26-K30 PolarHBondContact O-N 3.45Å; Q28-K30 VanDerWaalsContact C-N 3.28Å; Q28-K30 PolarHBondContact O-N 2.86Å; K30-L32 PolarHBondContact O-N 3.02Å; K30-S33 PolarHBondContact O-N 3.45Å; K30-S33 PolarHBondContact O-OG 3.36Å; K30-D34 VanDerWaalsContact O-CB 3.32Å; K30-D34 WeakPolarHBondContact O-CB 3.5Å; K30-D34 PolarHBondContact O-N 2.97Å
31L68.2Low57.4Low109 Ų109109.3 Ų109.357%0.57156%0.558SS**Hα-helixtrans-61.2-39.1175.7-75.9163.6000112.9K27 Q28 A35K27-L31 WeakPolarHBondContact O-CB 3.28Å; K27-L31 WeakPolarHBondContact O-CD1 3.33Å; K27-L31 VanDerWaalsContact O-CG 3.28Å; K27-L31 WeakPolarHBondContact O-CG 3.43Å; K27-L31 PolarHBondContact O-N 3.42Å; Q28-L31 CarbonylContact O-C 3.54Å; Q28-L31 WeakPolarHBondContact O-CB 3.46Å; Q28-L31 PolarHBondContact O-N 3.04Å; Q28-L31 VanDerWaalsContact O-N 3.16Å; L31-A35 VanDerWaalsContact O-CB 3.29Å; L31-A35 WeakPolarHBondContact O-CB 3.39Å; L31-A35 PolarHBondContact O-N 3.26Å
32L63.7Low55.6Low116 Ų116110.4 Ų110.461%0.60758%0.576SS**Hα-helixtrans-71.8-36.8175.5-73.3166.1000111.9Q28 E29 K30 A35 S36Q28-L32 WeakPolarHBondContact O-CB 3.33Å; Q28-L32 WeakPolarHBondContact O-CG 3.27Å; Q28-L32 PolarHBondContact O-N 3.3Å; E29-L32 PolarHBondContact O-N 3.34Å; K30-L32 PolarHBondContact O-N 3.02Å; L32-A35 PolarHBondContact O-N 3.14Å; L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 3.26Å; L32-S36 PolarHBondContact O-OG 2.91Å
33S57.5Low53.2Low40 Ų40116.4 Ų116.428%0.2859%0.592SS.*Hα-helixtrans-68.3-37.6174.485.60000111.2E29 K30 S36 K37E29-S33 WeakPolarHBondContact O-CB 3.49Å; E29-S33 PolarHBondContact O-N 3.1Å; E29-S33 PolarHBondContact O-OG 3.2Å; K30-S33 PolarHBondContact O-N 3.45Å; K30-S33 PolarHBondContact O-OG 3.36Å; S33-S36 WeakPolarHBondContact CA-OG 3.47Å; S33-S36 PolarHBondContact O-N 3.07Å; S33-S36 PolarHBondContact O-OG 3.07Å; S33-S36 VanDerWaalsContact O-OG 3.12Å; S33-K37 VanDerWaalsContact O-CB 3.26Å; S33-K37 WeakPolarHBondContact O-CB 3.34Å; S33-K37 VanDerWaalsContact O-CG 3.29Å; S33-K37 WeakPolarHBondContact O-CG 3.44Å; S33-K37 PolarHBondContact O-N 3.01Å
34D57.2Low50.9Low70 Ų70117.8 Ų117.837%0.37460%0.598SS.*Hα-helixtrans-71-35.7175.4-70.4-21.1000109.9K30 N38K30-D34 VanDerWaalsContact O-CB 3.32Å; K30-D34 WeakPolarHBondContact O-CB 3.5Å; K30-D34 PolarHBondContact O-N 2.97Å; D34-N38 WeakPolarHBondContact O-CB 3.43Å; D34-N38 VanDerWaalsContact O-CG 3.26Å; D34-N38 PolarHBondContact O-N 3.45Å; D34-N38 VanDerWaalsContact O-N 3.15Å; D34-N38 PolarHBondContact O-ND2 3.11Å
35A48.7Very low48.8Very low55 Ų55119.7 Ų119.746%0.45561%0.614SS.*Hα-helixtrans-67.5-39.4173.100000112.8L31 L32L31-A35 VanDerWaalsContact O-CB 3.29Å; L31-A35 WeakPolarHBondContact O-CB 3.39Å; L31-A35 PolarHBondContact O-N 3.26Å; L32-A35 PolarHBondContact O-N 3.14Å
36S38.5Very low46.5Very low63 Ų63124.1 Ų124.144%0.44163%0.631SS.*Hα-helixtrans-79.9-33.4179.351.40000113.4L32 S33 N38 Q39L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 3.26Å; L32-S36 PolarHBondContact O-OG 2.91Å; S33-S36 WeakPolarHBondContact CA-OG 3.47Å; S33-S36 PolarHBondContact O-N 3.07Å; S33-S36 PolarHBondContact O-OG 3.07Å; S33-S36 VanDerWaalsContact O-OG 3.12Å; S36-N38 VanDerWaalsContact C-N 3.28Å; S36-N38 PolarHBondContact O-N 3.25Å; S36-Q39 PolarHBondContact O-N 2.95Å; S36-Q39 VanDerWaalsContact O-N 3.13Å
37K36.8Very low44.4Very low151 Ų151129 Ų12966%0.65765%0.649SS**Hα-helixtrans-63.6-34.8169.4-79.5177.6178.7175.50111.7S33 Q39 K40S33-K37 VanDerWaalsContact O-CB 3.26Å; S33-K37 WeakPolarHBondContact O-CB 3.34Å; S33-K37 VanDerWaalsContact O-CG 3.29Å; S33-K37 WeakPolarHBondContact O-CG 3.44Å; S33-K37 PolarHBondContact O-N 3.01Å; K37-Q39 PolarHBondContact O-N 2.64Å; K37-K40 PolarHBondContact O-N 3.43Å
38N33.2Very low42.2Very low131 Ų131131.3 Ų131.370%0.70166%0.659SS**THydrogen-bonded Turntrans-71-9.7174.3-79.2-21.6000114.3D34 S36D34-N38 WeakPolarHBondContact O-CB 3.43Å; D34-N38 VanDerWaalsContact O-CG 3.26Å; D34-N38 PolarHBondContact O-N 3.45Å; D34-N38 VanDerWaalsContact O-N 3.15Å; D34-N38 PolarHBondContact O-ND2 3.11Å; S36-N38 VanDerWaalsContact C-N 3.28Å; S36-N38 PolarHBondContact O-N 3.25Å
39Q31.2Very low40.6Very low168 Ų168135 Ų13579%0.78567%0.674SS**THydrogen-bonded Turntrans-93.8-14.9175.5-76.1-174.2-6.400114.4S36 K37S36-Q39 PolarHBondContact O-N 2.95Å; S36-Q39 VanDerWaalsContact O-N 3.13Å; K37-Q39 PolarHBondContact O-N 2.64Å
40K28Very low38.8Very low195 Ų195136.6 Ų136.685%0.84868%0.681SS**SBendtrans-103.22.7-175.1-81-171.9176.5-179.30116.3K37K37-K40 PolarHBondContact O-N 3.43Å
41S29Very low37.4Very low69 Ų69134.9 Ų134.948%0.48368%0.675SS.*  trans-107103.8168.265.10000110.6K43S41-K43 PolarHBondContact O-N 2.84Å
42S27.3Very low36.3Very low130 Ų130134.6 Ų134.691%0.90968%0.678SS**  trans-65.366.6160.8490000110
43K25.5Very low35.8Very low180 Ų180134.5 Ų134.578%0.78368%0.681SS**  trans-100.3106.9171.1-89.6-177.6175.5176.40107.8S41S41-K43 PolarHBondContact O-N 2.84Å
44K25.5Very low36.1Very low199 Ų199136.2 Ų136.287%0.86569%0.687SS**  trans12.9114.3157.1-75.7179.3172.7179.30113.5K46K44-K46 VanDerWaalsContact C-N 3.3Å; K44-K46 PolarHBondContact O-N 3.03Å
45D26.3Very low36.9Very low162 Ų162139.4 Ų139.487%0.86670%0.704SS**  trans-26.188.9168.2-69.5-49.3000112.1L47D45-L47 PolarHBondContact O-N 3.22Å
46K26.8Very low38.5Very low200 Ų200138.1 Ų138.187%0.8769%0.693SS**  trans-68.493.6152.4-84.5-172.9176-177.40102.3K44 K48K44-K46 VanDerWaalsContact C-N 3.3Å; K44-K46 PolarHBondContact O-N 3.03Å; K46-K48 PolarHBondContact O-N 3.31Å
47L27.4Very low40.7Very low158 Ų158139.5 Ų139.583%0.82770%0.699SS**  trans-26.2107.3160.4-79.1142.4000106.4D45 K49D45-L47 PolarHBondContact O-N 3.22Å; L47-K49 PolarHBondContact O-N 2.82Å
48K27.4Very low43Very low194 Ų194134.6 Ų134.684%0.84369%0.686SS**  trans-46.4117.6163-76.4176177.1173.90102.6K46 E50K46-K48 PolarHBondContact O-N 3.31Å; K48-E50 PolarHBondContact O-N 3.35Å
49K31.4Very low45.4Very low174 Ų174131 Ų13176%0.75767%0.667SS**  trans-54.998.1168.8-86.4-170.6170.7-162.80103.7L47 Q51 E72L47-K49 PolarHBondContact O-N 2.82Å; K49-Q51 PolarHBondContact O-N 3.01Å; K49-Q51 VanDerWaalsContact O-N 3.17Å; K49-E72 IonicContact NZ-OE2 3.78Å
50E33Very low47.7Very low169 Ų169130.5 Ų130.579%0.7968%0.676SS**  trans-52.8127.3170.5-78.5-177.8156.800103.9K48 V52K48-E50 PolarHBondContact O-N 3.35Å; E50-V52 PolarHBondContact O-N 2.91Å
51Q43.7Very low50.1Low100 Ų100123.8 Ų123.847%0.46765%0.654SS.*  trans-6097.9174.8-149.2176.1-3.400104.1K49 V53 E693K49-Q51 PolarHBondContact O-N 3.01Å; K49-Q51 VanDerWaalsContact O-N 3.17Å; Q51-V53 VanDerWaalsContact C-N 3.35Å; Q51-V53 PolarHBondContact O-N 3.04Å; Q51-E693 PolarHBondContact NE2-OE2 2.82Å
52V45.1Very low52.5Low103 Ų103121.3 Ų121.362%0.62464%0.639SS**  trans-60.2106.5179.5-179.70000104.8E50 L54E50-V52 PolarHBondContact O-N 2.91Å; V52-L54 HydrophobicContact CG1-CD2 3.78Å; V52-L54 HydrophobicContact CG1-CG 3.89Å; V52-L54 PolarHBondContact O-N 3.48Å
53V51.6Low55.4Low113 Ų113115.8 Ų115.869%0.68560%0.599SS**  trans-72.787.8172.7-177.90000105Q51 N55Q51-V53 VanDerWaalsContact C-N 3.35Å; Q51-V53 PolarHBondContact O-N 3.04Å; V53-N55 PolarHBondContact O-N 2.97Å
54L64.7Low58.5Low76 Ų76107.3 Ų107.340%0.39856%0.562SS.*PPolyproline II helixtrans-70.3119169.9-68.1168.9000106.8V52 A56 P71 Y78V52-L54 HydrophobicContact CG1-CD2 3.78Å; V52-L54 HydrophobicContact CG1-CG 3.89Å; V52-L54 PolarHBondContact O-N 3.48Å; L54-A56 PolarHBondContact O-N 2.98Å; L54-P71 HydrophobicContact CD1-CB 3.56Å; L54-P71 HydrophobicContact CD1-CG 3.47Å; L54-P71 VanDerWaalsContact CD1-CG 3.47Å; L54-Y78 HydrophobicContact CB-CD2 3.63Å; L54-Y78 HydrophobicContact CB-CE2 3.92Å; L54-Y78 HydrophobicContact CB-CG 4.46Å; L54-Y78 WeakPolarHBondContact O-CD2 3.35Å
55N74.2Confident61.5Low137 Ų137100.5 Ų100.573%0.73354%0.535SS*.PPolyproline II helixtrans-74.1119.1171.4-69.9-24.5000108V53V53-N55 PolarHBondContact O-N 2.97Å
56A81.5Confident64.3Low28 Ų2893.5 Ų93.523%0.23150%0.497CS..PPolyproline II helixtrans-66.4141.4169.400000109.5L54 K64 Y78 A81 M82L54-A56 PolarHBondContact O-N 2.98Å; A56-K64 HydrophobicContact CB-CD 4.23Å; A56-K64 HydrophobicContact CB-CG 4.35Å; A56-Y78 HydrophobicContact CB-CE2 4.46Å; A56-A81 HydrophobicContact CB-CB 3.83Å; A56-M82 HydrophobicContact CB-CG 4.16Å; A56-M82 HydrophobicContact CB-SD 3.65Å
57V85.1Confident66.9Low93 Ų9389.4 Ų89.456%0.56449%0.489SS*.  trans-117.3143.3-179-176.10000108.6D65V57-D65 WeakPolarHBondContact O-CB 3.15Å; V57-D65 PolarHBondContact O-N 3.11Å
58A84.8Confident69.3Low47 Ų4784 Ų8439%0.38847%0.471SS..BIsolated β-bridgetrans-80.9142.6173.100000110.9K63 M82A58-K63 CarbonylContact C-O 3.59Å; A58-K63 WeakPolarHBondContact CA-O 2.79Å; A58-M82 HydrophobicContact CB-CE 3.3Å; A58-M82 VanDerWaalsContact N-CE 3.33Å
59D83.6Confident71.9Confident55 Ų5582.9 Ų82.929%0.29447%0.469SS..  trans-75.6-179.61617220.4000111.6S61 G62 K63 D65D59-S61 PolarHBondContact O-N 2.92Å; D59-S61 VanDerWaalsContact OD1-CA 3.3Å; D59-S61 WeakPolarHBondContact OD1-CA 3.36Å; D59-S61 WeakPolarHBondContact OD1-CB 3.48Å; D59-S61 PolarHBondContact OD1-N 3.47Å; D59-S61 PolarHBondContact OD1-OG 3.04Å; D59-S61 PolarHBondContact OD2-OG 2.91Å; D59-G62 PolarHBondContact O-N 2.96Å; D59-G62 PolarHBondContact OD1-N 2.99Å; D59-G62 VanDerWaalsContact OD1-N 3.1Å; D59-K63 VanDerWaalsContact CG-O 3.28Å; D59-K63 PolarHBondContact N-O 3.25Å; D59-K63 PolarHBondContact OD1-N 3.12Å; D59-D65 HydrophobicContact CB-CB 4.4Å
60T79.5Confident74.6Confident159 Ų15975 Ų7598%0.97544%0.435SS*.THydrogen-bonded Turntrans-63.6-19.5-179.652.70000114.1G62T60-G62 VanDerWaalsContact C-N 3.34Å
61S78.6Confident77.3Confident54 Ų5467.7 Ų67.738%0.37840%0.402SS..THydrogen-bonded Turntrans-88.9-4174.878.10000112.9D59 K63D59-S61 PolarHBondContact O-N 2.92Å; D59-S61 VanDerWaalsContact OD1-CA 3.3Å; D59-S61 WeakPolarHBondContact OD1-CA 3.36Å; D59-S61 WeakPolarHBondContact OD1-CB 3.48Å; D59-S61 PolarHBondContact OD1-N 3.47Å; D59-S61 PolarHBondContact OD1-OG 3.04Å; D59-S61 PolarHBondContact OD2-OG 2.91Å; S61-K63 PolarHBondContact O-N 2.9Å; S61-K63 WeakPolarHBondContact OG-CB 3.43Å; S61-K63 PolarHBondContact OG-N 3.43Å
62G80.6Confident79.4Confident17 Ų1769.4 Ų69.418%0.17541%0.41CS..SBendtrans792.4-17400000113.7D59 T60 R89D59-G62 PolarHBondContact O-N 2.96Å; D59-G62 PolarHBondContact OD1-N 2.99Å; D59-G62 VanDerWaalsContact OD1-N 3.1Å; T60-G62 VanDerWaalsContact C-N 3.34Å; G62-R89 PolarHBondContact O-NH2 3.35Å
63K87.7Confident81.5Confident14 Ų1467.7 Ų67.76%0.06140%0.403CS..SBendtrans-75.2154.2171.2-179.8-178.2177.8179.30108.2A58 D59 S61 D65 W83 W86 Q869A58-K63 CarbonylContact C-O 3.59Å; A58-K63 WeakPolarHBondContact CA-O 2.79Å; D59-K63 VanDerWaalsContact CG-O 3.28Å; D59-K63 PolarHBondContact N-O 3.25Å; D59-K63 PolarHBondContact OD1-N 3.12Å; S61-K63 PolarHBondContact O-N 2.9Å; S61-K63 WeakPolarHBondContact OG-CB 3.43Å; S61-K63 PolarHBondContact OG-N 3.43Å; K63-D65 PolarHBondContact O-N 3.35Å; K63-W83 HydrophobicContact CG-CZ3 4.08Å; K63-W86 HydrophobicContact CB-CG 4.23Å; K63-W86 HydrophobicContact CD-CH2 4.37Å; K63-W86 HydrophobicContact CD-CZ2 3.79Å; K63-W86 HydrophobicContact CG-CD2 4.06Å; K63-W86 HydrophobicContact CG-CG 4.25Å; K63-W86 HydrophobicContact CG-CZ2 4.24Å; K63-Q869 VanDerWaalsContact CE-OE1 3.3Å
64K90.5Very high83.5Confident2 Ų262.6 Ų62.61%0.00937%0.371CS..BIsolated β-bridgetrans-58.6131.3174.3-173.1174.5174.9-176.40109.9A56 M66 Y78 M82 W83 E866A56-K64 HydrophobicContact CB-CD 4.23Å; A56-K64 HydrophobicContact CB-CG 4.35Å; K64-M66 HydrophobicContact CB-SD 4.34Å; K64-M66 HydrophobicContact CD-SD 4.01Å; K64-M66 HydrophobicContact CG-SD 3.95Å; K64-M66 WeakPolarHBondContact O-CG 3.5Å; K64-M66 PolarHBondContact O-N 3.22Å; K64-Y78 PolarHBondContact NZ-O 3.12Å; K64-M82 HydrophobicContact CB-CB 4.23Å; K64-M82 HydrophobicContact CB-SD 4.19Å; K64-M82 HydrophobicContact CG-SD 4.09Å; K64-W83 HydrophobicContact CB-CE3 4.42Å; K64-W83 HydrophobicContact CB-CH2 3.77Å; K64-W83 HydrophobicContact CB-CZ2 3.99Å; K64-W83 HydrophobicContact CB-CZ3 4Å; K64-W83 HydrophobicContact CD-CH2 4.36Å; K64-W83 HydrophobicContact CD-CZ2 3.74Å; K64-W83 HydrophobicContact CG-CZ2 4.36Å; K64-E866 WeakPolarHBondContact CE-OE2 3.26Å; K64-E866 IonicContact NZ-OE1 3.97Å; K64-E866 IonicContact NZ-OE2 2.7Å; K64-E866 PolarHBondContact NZ-OE2 2.96Å
65D87.4Confident84.9Confident56 Ų5659.7 Ų59.730%0.29936%0.357SS..PPolyproline II helixtrans-70.9119.8175.1179.313.9000110.1V57 D59 K63 T67V57-D65 WeakPolarHBondContact O-CB 3.15Å; V57-D65 PolarHBondContact O-N 3.11Å; D59-D65 HydrophobicContact CB-CB 4.4Å; K63-D65 PolarHBondContact O-N 3.35Å; D65-T67 WeakPolarHBondContact OD1-CB 3.2Å; D65-T67 WeakPolarHBondContact OD1-CG2 3.17Å; D65-T67 PolarHBondContact OD1-N 3.49Å; D65-T67 PolarHBondContact OD1-OG1 2.89Å; D65-T67 PolarHBondContact OD2-OG1 3.26Å
66M86.6Confident85.9Confident15 Ų1553.2 Ų53.27%0.07432%0.323CS..  trans-111.67.2-176.5-58.9-56.1-66.700112.4K64 G68 W83 E866 Q869 R870 I873K64-M66 HydrophobicContact CB-SD 4.34Å; K64-M66 HydrophobicContact CD-SD 4.01Å; K64-M66 HydrophobicContact CG-SD 3.95Å; K64-M66 WeakPolarHBondContact O-CG 3.5Å; K64-M66 PolarHBondContact O-N 3.22Å; M66-G68 VanDerWaalsContact C-N 3.34Å; M66-W83 HydrophobicContact CE-CZ2 4.22Å; M66-W83 HydrophobicContact CG-CH2 3.94Å; M66-W83 HydrophobicContact CG-CZ2 4.43Å; M66-W83 HydrophobicContact SD-CH2 3.73Å; M66-W83 HydrophobicContact SD-CZ2 3.63Å; M66-E866 HydrophobicContact CE-CG 4.45Å; M66-E866 WeakPolarHBondContact CE-OE1 2.82Å; M66-Q869 HydrophobicContact CE-CB 4.32Å; M66-Q869 HydrophobicContact CG-CB 4.14Å; M66-R870 HydrophobicContact CE-CG 3.29Å; M66-I873 HydrophobicContact CB-CD1 3.33Å; M66-I873 WeakPolarHBondContact O-CD1 3.49Å
67T80.5Confident86.5Confident114 Ų11457 Ų5770%0.69933%0.334SS*.SBendtrans-72.8-26.4178.962.80000113D65D65-T67 WeakPolarHBondContact OD1-CB 3.2Å; D65-T67 WeakPolarHBondContact OD1-CG2 3.17Å; D65-T67 PolarHBondContact OD1-N 3.49Å; D65-T67 PolarHBondContact OD1-OG1 2.89Å; D65-T67 PolarHBondContact OD2-OG1 3.26Å
68G78.8Confident86.9Confident44 Ų4454 Ų5445%0.45431%0.313SS..SBendtrans-70.4162.7176.900000114.2M66 R870M66-G68 VanDerWaalsContact C-N 3.34Å; G68-R870 PolarHBondContact O-NH1 3.24Å
69E81.2Confident87.3Confident170 Ų17051.7 Ų51.779%0.79429%0.294SS*.PPolyproline II helixtrans-61.1144.7177.5-67.9-168.6169.400112.4
70M87.6Confident87.9Confident10 Ų1050.4 Ų50.45%0.04929%0.286CS..PPolyproline II helixtrans-68.6129.4175.2-173.4173.3177.800109.9W731 R735 L738 F739 L867M70-W731 HydrophobicContact CE-CB 4.49Å; M70-W731 HydrophobicContact CE-CD2 3.23Å; M70-W731 HydrophobicContact CE-CE3 3.52Å; M70-W731 HydrophobicContact CE-CG 3.7Å; M70-W731 HydrophobicContact CE-CH2 3.87Å; M70-W731 HydrophobicContact CE-CZ2 3.61Å; M70-W731 HydrophobicContact CE-CZ3 3.81Å; M70-W731 VanDerWaalsContact CE-O 3.29Å; M70-W731 WeakPolarHBondContact CE-O 3.32Å; M70-W731 HydrophobicContact CG-CH2 3.84Å; M70-W731 HydrophobicContact CG-CZ2 3.41Å; M70-W731 VanDerWaalsContact CG-CZ2 3.41Å; M70-W731 HydrophobicContact SD-CZ2 4.36Å; M70-R735 HydrophobicContact CE-CB 4.04Å; M70-R735 PolarHBondContact O-NH1 3.35Å; M70-R735 HydrophobicContact SD-CB 3.85Å; M70-R735 HydrophobicContact SD-CG 4.25Å; M70-L738 HydrophobicContact SD-CD1 4.15Å; M70-F739 HydrophobicContact CB-CE2 4.39Å; M70-L867 HydrophobicContact CE-CD2 3.5Å; M70-L867 VanDerWaalsContact CE-CD2 3.5Å
71P89.4Confident88.5Confident15 Ų1544.4 Ų44.410%0.09725%0.253CS..PPolyproline II helixtrans-52.4149176.2-22.223.8000113.8L54 S73 Y78 W731 R735L54-P71 HydrophobicContact CD1-CB 3.56Å; L54-P71 HydrophobicContact CD1-CG 3.47Å; L54-P71 VanDerWaalsContact CD1-CG 3.47Å; P71-S73 VanDerWaalsContact C-N 3.25Å; P71-S73 PolarHBondContact O-N 2.98Å; P71-Y78 HydrophobicContact CG-CD1 3.89Å; P71-Y78 HydrophobicContact CG-CE1 3.48Å; P71-Y78 VanDerWaalsContact CG-CE1 3.48Å; P71-Y78 HydrophobicContact CG-CE2 4.44Å; P71-W731 HydrophobicContact CB-CH2 4.49Å; P71-W731 HydrophobicContact CB-CZ2 3.76Å; P71-W731 HydrophobicContact CG-CH2 4.02Å; P71-W731 HydrophobicContact CG-CZ2 3.76Å; P71-W731 WeakPolarHBondContact O-CZ2 3.23Å; P71-W731 PolarHBondContact O-NE1 3.07Å; P71-R735 PolarHBondContact O-NH1 3.2Å
72E88.3Confident89.1Confident136 Ų13643.9 Ų43.964%0.63625%0.245SC*.SBendtrans-62.6-31178.4-70.8-164.8167.800113.7K49 R735K49-E72 IonicContact NZ-OE2 3.78Å; E72-R735 VanDerWaalsContact CA-NH1 3.28Å
73S89.9Confident89.8Confident66 Ų6643.1 Ų43.146%0.46224%0.237SC..SBendtrans-133.2143.7-174.759.60000111.8P71 S75P71-S73 VanDerWaalsContact C-N 3.25Å; P71-S73 PolarHBondContact O-N 2.98Å; S73-S75 PolarHBondContact O-N 3.42Å
74Y93.8Very high90.2Very high6 Ų643.3 Ų43.32%0.02424%0.237CC..  trans-65.1124.2174171.2-113.9000112.1P76 V79 R724 C727 N728 W731 I863Y74-P76 HydrophobicContact CE1-CG 3.79Å; Y74-V79 HydrophobicContact CD2-CG2 3.75Å; Y74-V79 HydrophobicContact CE2-CB 4.01Å; Y74-V79 HydrophobicContact CE2-CG1 4.26Å; Y74-V79 HydrophobicContact CE2-CG2 3.67Å; Y74-R724 VanDerWaalsContact CD1-NH1 3.33Å; Y74-R724 HydrophobicContact CE1-CG 4.17Å; Y74-C727 HydrophobicContact CD1-CB 3.81Å; Y74-C727 HydrophobicContact CE1-CB 3.3Å; Y74-C727 HydrophobicContact CE2-CB 4.13Å; Y74-C727 HydrophobicContact CG-CB 4.42Å; Y74-C727 VanDerWaalsContact CZ-CB 3.48Å; Y74-N728 WeakPolarHBondContact CB-OD1 3.48Å; Y74-N728 HydrophobicContact CD1-CB 4.21Å; Y74-W731 HydrophobicContact CD2-CD2 4.4Å; Y74-W731 HydrophobicContact CD2-CE3 4.05Å; Y74-I863 HydrophobicContact CD2-CD1 3.98Å; Y74-I863 HydrophobicContact CE2-CD1 3.73Å; Y74-I863 HydrophobicContact CE2-CG1 4.31Å
75S94.2Very high90.4Very high15 Ų1549.6 Ų49.611%0.10527%0.267CS..  trans-125.2115.7172.7175.30000109.3S73 K77 Y78 V79S73-S75 PolarHBondContact O-N 3.42Å; S75-K77 VanDerWaalsContact C-N 3.33Å; S75-K77 PolarHBondContact O-N 3.32Å; S75-Y78 PolarHBondContact O-N 3.41Å; S75-V79 WeakPolarHBondContact O-CG2 3.41Å; S75-V79 PolarHBondContact O-N 2.81Å
76P95.1Very high90.7Very high2 Ų247.2 Ų47.21%0.01325%0.253CS..Hα-helixtrans-51.9-48.5177.3-2834000113Y74 Y78 V79 E80 E693 R724Y74-P76 HydrophobicContact CE1-CG 3.79Å; P76-Y78 VanDerWaalsContact C-N 3.32Å; P76-Y78 PolarHBondContact O-N 3.4Å; P76-V79 PolarHBondContact O-N 2.96Å; P76-V79 VanDerWaalsContact O-N 3.11Å; P76-E80 WeakPolarHBondContact O-CB 3.18Å; P76-E80 VanDerWaalsContact O-CG 3.29Å; P76-E80 WeakPolarHBondContact O-CG 3.32Å; P76-E80 PolarHBondContact O-N 3.47Å; P76-E693 HydrophobicContact CG-CG 4.38Å; P76-R724 VanDerWaalsContact CD-NH2 3.34Å
77K92.7Very high91.1Very high108 Ų10846.5 Ų46.547%0.4725%0.25SC..Hα-helixtrans-57.8-41.5179.6-74.9178.1176.6135.40113.4S75 A81 E693S75-K77 VanDerWaalsContact C-N 3.33Å; S75-K77 PolarHBondContact O-N 3.32Å; K77-A81 WeakPolarHBondContact O-CB 3.2Å; K77-A81 PolarHBondContact O-N 3.48Å; K77-E693 VanDerWaalsContact CD-OE1 3.28Å; K77-E693 WeakPolarHBondContact CD-OE1 3.36Å; K77-E693 WeakPolarHBondContact CE-OE1 3.16Å; K77-E693 IonicContact NZ-OE1 3.71Å; K77-E693 PolarHBondContact NZ-OE1 3.1Å
78Y93.3Very high91.8Very high28 Ų2844.2 Ų44.211%0.1123%0.231CC..Hα-helixtrans-67.9-45.7176.1172.9-96.6000111L54 A56 K64 P71 S75 P76 W731 R870L54-Y78 HydrophobicContact CB-CD2 3.63Å; L54-Y78 HydrophobicContact CB-CE2 3.92Å; L54-Y78 HydrophobicContact CB-CG 4.46Å; L54-Y78 WeakPolarHBondContact O-CD2 3.35Å; A56-Y78 HydrophobicContact CB-CE2 4.46Å; K64-Y78 PolarHBondContact NZ-O 3.12Å; P71-Y78 HydrophobicContact CG-CD1 3.89Å; P71-Y78 HydrophobicContact CG-CE1 3.48Å; P71-Y78 VanDerWaalsContact CG-CE1 3.48Å; P71-Y78 HydrophobicContact CG-CE2 4.44Å; S75-Y78 PolarHBondContact O-N 3.41Å; P76-Y78 VanDerWaalsContact C-N 3.32Å; P76-Y78 PolarHBondContact O-N 3.4Å; Y78-W731 HydrophobicContact CD1-CH2 4.36Å; Y78-W731 HydrophobicContact CE1-CH2 4.17Å; Y78-R870 PolarHBondContact OH-NH2 3.08Å; Y78-R870 VanDerWaalsContact OH-NH2 3.1Å
79V94.8Very high92.4Very high0 Ų049.1 Ų49.10%024%0.236CC..Hα-helixtrans-66-41-176.7168.80000111.4Y74 S75 P76 W83 W731 F862 I863 E866Y74-V79 HydrophobicContact CD2-CG2 3.75Å; Y74-V79 HydrophobicContact CE2-CB 4.01Å; Y74-V79 HydrophobicContact CE2-CG1 4.26Å; Y74-V79 HydrophobicContact CE2-CG2 3.67Å; S75-V79 WeakPolarHBondContact O-CG2 3.41Å; S75-V79 PolarHBondContact O-N 2.81Å; P76-V79 PolarHBondContact O-N 2.96Å; P76-V79 VanDerWaalsContact O-N 3.11Å; V79-W83 PolarHBondContact O-NE1 3.43Å; V79-W731 HydrophobicContact CG2-CE3 4.05Å; V79-W731 HydrophobicContact CG2-CH2 4.23Å; V79-W731 HydrophobicContact CG2-CZ3 3.51Å; V79-F862 HydrophobicContact CG1-CB 4.4Å; V79-I863 HydrophobicContact CG1-CB 4.03Å; V79-I863 HydrophobicContact CG1-CG1 4.31Å; V79-E866 HydrophobicContact CG1-CB 3.96Å; V79-E866 HydrophobicContact CG1-CG 4.2Å; V79-E866 HydrophobicContact CG2-CG 4.24Å
80E95.3Very high93Very high28 Ų2842.4 Ų42.413%0.13121%0.208CC..Hα-helixtrans-79.3-20.1-175.8-66173.1-152.200113.1P76 M82 G695 T696 F862P76-E80 WeakPolarHBondContact O-CB 3.18Å; P76-E80 VanDerWaalsContact O-CG 3.29Å; P76-E80 WeakPolarHBondContact O-CG 3.32Å; P76-E80 PolarHBondContact O-N 3.47Å; E80-M82 PolarHBondContact O-N 3.03Å; E80-G695 WeakPolarHBondContact OE1-CA 3.49Å; E80-T696 PolarHBondContact OE1-N 3.02Å; E80-T696 WeakPolarHBondContact OE2-CB 3.23Å; E80-T696 PolarHBondContact OE2-OG1 3.09Å; E80-F862 HydrophobicContact CB-CB 4.48Å; E80-F862 HydrophobicContact CB-CD1 3.95Å; E80-F862 HydrophobicContact CB-CE1 4.3Å; E80-F862 HydrophobicContact CB-CG 4.17Å; E80-F862 HydrophobicContact CG-CB 3.76Å; E80-F862 HydrophobicContact CG-CD1 4.02Å; E80-F862 HydrophobicContact CG-CD2 4.07Å; E80-F862 HydrophobicContact CG-CG 3.7Å
81A92.5Very high93.2Very high32 Ų3242.6 Ų42.626%0.26421%0.213SC..THydrogen-bonded Turntrans-57.5137.2-178.200000112.5A56 K77 W83A56-A81 HydrophobicContact CB-CB 3.83Å; K77-A81 WeakPolarHBondContact O-CB 3.2Å; K77-A81 PolarHBondContact O-N 3.48Å; A81-W83 PolarHBondContact O-N 3.39Å
82M91.5Very high93.5Very high44 Ų4442 Ų4222%0.21721%0.208CC..THydrogen-bonded Turntrans69.4-22.3171.1-43.6179.772.300117A56 A58 K64 E80 Y84 E85 W86A56-M82 HydrophobicContact CB-CG 4.16Å; A56-M82 HydrophobicContact CB-SD 3.65Å; A58-M82 HydrophobicContact CB-CE 3.3Å; A58-M82 VanDerWaalsContact N-CE 3.33Å; K64-M82 HydrophobicContact CB-CB 4.23Å; K64-M82 HydrophobicContact CB-SD 4.19Å; K64-M82 HydrophobicContact CG-SD 4.09Å; E80-M82 PolarHBondContact O-N 3.03Å; M82-Y84 PolarHBondContact O-N 3.13Å; M82-E85 PolarHBondContact O-N 2.76Å; M82-W86 PolarHBondContact O-N 3.31Å; M82-W86 VanDerWaalsContact O-N 3.08Å
83W95.4Very high93.8Very high0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-62.3-44.4-176.4-67.9128.3000113.2K63 K64 M66 V79 A81 E85 W86 W87 F862 E865 E866 Q869K63-W83 HydrophobicContact CG-CZ3 4.08Å; K64-W83 HydrophobicContact CB-CE3 4.42Å; K64-W83 HydrophobicContact CB-CH2 3.77Å; K64-W83 HydrophobicContact CB-CZ2 3.99Å; K64-W83 HydrophobicContact CB-CZ3 4Å; K64-W83 HydrophobicContact CD-CH2 4.36Å; K64-W83 HydrophobicContact CD-CZ2 3.74Å; K64-W83 HydrophobicContact CG-CZ2 4.36Å; M66-W83 HydrophobicContact CE-CZ2 4.22Å; M66-W83 HydrophobicContact CG-CH2 3.94Å; M66-W83 HydrophobicContact CG-CZ2 4.43Å; M66-W83 HydrophobicContact SD-CH2 3.73Å; M66-W83 HydrophobicContact SD-CZ2 3.63Å; V79-W83 PolarHBondContact O-NE1 3.43Å; A81-W83 PolarHBondContact O-N 3.39Å; W83-E85 PolarHBondContact O-N 3.24Å; W83-W86 AromaticContact CE3-CE3 3.76Å; W83-W86 HydrophobicContact CE3-CE3 3.76Å; W83-W86 HydrophobicContact CE3-CZ3 4.12Å; W83-W86 HydrophobicContact CZ3-CE3 4.1Å; W83-W86 HydrophobicContact CZ3-CZ3 4.2Å; W83-W86 PolarHBondContact O-N 3.07Å; W83-W87 HydrophobicContact CB-CD2 4.41Å; W83-W87 HydrophobicContact CB-CH2 4.01Å; W83-W87 HydrophobicContact CB-CZ2 3.73Å; W83-W87 HydrophobicContact CB-CZ3 4.48Å; W83-W87 HydrophobicContact CG-CZ2 4.39Å; W83-W87 VanDerWaalsContact O-CD2 3.28Å; W83-W87 PolarHBondContact O-N 2.94Å; W83-F862 HydrophobicContact CB-CD1 4.09Å; W83-F862 HydrophobicContact CB-CE1 4.38Å; W83-E865 HydrophobicContact CD2-CG 4.12Å; W83-E865 HydrophobicContact CE3-CG 4.04Å; W83-E865 HydrophobicContact CZ3-CG 4.44Å; W83-E866 HydrophobicContact CZ2-CB 4.28Å; W83-E866 VanDerWaalsContact CZ2-OE2 3.27Å; W83-E866 WeakPolarHBondContact CZ2-OE2 3.29Å; W83-E866 PolarHBondContact NE1-OE2 2.96Å; W83-E866 VanDerWaalsContact NE1-OE2 3.1Å; W83-Q869 HydrophobicContact CH2-CB 4.03Å; W83-Q869 HydrophobicContact CH2-CG 3.69Å; W83-Q869 HydrophobicContact CZ2-CG 4.42Å; W83-Q869 HydrophobicContact CZ3-CG 4Å
84Y96.3Very high94.1Very high19 Ų1936.8 Ų36.88%0.07518%0.175CC..Hα-helixtrans-63.2-45.9-178-166.5-86.1000112.4M82 W86 W87 E88 F93 R200 S204 W208 F862M82-Y84 PolarHBondContact O-N 3.13Å; Y84-W86 VanDerWaalsContact C-N 3.28Å; Y84-W86 PolarHBondContact O-N 2.99Å; Y84-W87 AromaticContact CD2-CE3 3.92Å; Y84-W87 HydrophobicContact CD2-CE3 3.92Å; Y84-W87 HydrophobicContact CD2-CZ3 4.12Å; Y84-W87 HydrophobicContact CG-CE3 4.45Å; Y84-W87 PolarHBondContact O-N 3.39Å; Y84-E88 WeakPolarHBondContact CE1-OE2 3.49Å; Y84-E88 WeakPolarHBondContact O-CB 3.44Å; Y84-E88 PolarHBondContact O-N 3.34Å; Y84-F93 HydrophobicContact CE2-CE2 4.12Å; Y84-F93 HydrophobicContact CE2-CZ 4.48Å; Y84-R200 HydrophobicContact CD1-CB 4.07Å; Y84-R200 HydrophobicContact CD1-CG 4.23Å; Y84-R200 WeakPolarHBondContact CD2-O 3.38Å; Y84-R200 HydrophobicContact CE1-CB 3.6Å; Y84-R200 HydrophobicContact CE1-CG 3.36Å; Y84-R200 HydrophobicContact CE2-CB 4.44Å; Y84-R200 WeakPolarHBondContact CE2-O 3.26Å; Y84-R200 WeakPolarHBondContact OH-CG 3.32Å; Y84-S204 WeakPolarHBondContact CE2-O 3.39Å; Y84-S204 PolarHBondContact OH-O 3.16Å; Y84-W208 AromaticContact CZ-NE1 3.8Å; Y84-W208 WeakPolarHBondContact OH-CZ2 3.28Å; Y84-W208 PolarHBondContact OH-NE1 3.38Å; Y84-F862 HydrophobicContact CD2-CZ 4.38Å
85E94Very high94Very high134 Ų13436.6 Ų36.663%0.62618%0.175SC*.Hα-helixtrans-60-39.9176.4-65.3177.9-178.200111.4M82 W83 R89M82-E85 PolarHBondContact O-N 2.76Å; W83-E85 PolarHBondContact O-N 3.24Å; E85-R89 VanDerWaalsContact O-CB 3.25Å; E85-R89 WeakPolarHBondContact O-CB 3.29Å; E85-R89 PolarHBondContact O-N 3.26Å
86W94.1Very high93.6Very high5 Ų539.7 Ų39.72%0.01919%0.187CC..Hα-helixtrans-66.2-45.1174.9174.966.3000112.3K63 M82 W83 Y84 E88 R89 S90 F92 E865K63-W86 HydrophobicContact CB-CG 4.23Å; K63-W86 HydrophobicContact CD-CH2 4.37Å; K63-W86 HydrophobicContact CD-CZ2 3.79Å; K63-W86 HydrophobicContact CG-CD2 4.06Å; K63-W86 HydrophobicContact CG-CG 4.25Å; K63-W86 HydrophobicContact CG-CZ2 4.24Å; M82-W86 PolarHBondContact O-N 3.31Å; M82-W86 VanDerWaalsContact O-N 3.08Å; W83-W86 AromaticContact CE3-CE3 3.76Å; W83-W86 HydrophobicContact CE3-CE3 3.76Å; W83-W86 HydrophobicContact CE3-CZ3 4.12Å; W83-W86 HydrophobicContact CZ3-CE3 4.1Å; W83-W86 HydrophobicContact CZ3-CZ3 4.2Å; W83-W86 PolarHBondContact O-N 3.07Å; Y84-W86 VanDerWaalsContact C-N 3.28Å; Y84-W86 PolarHBondContact O-N 2.99Å; W86-E88 PolarHBondContact O-N 2.83Å; W86-R89 PolarHBondContact O-N 3.27Å; W86-S90 PolarHBondContact NE1-OG 2.89Å; W86-S90 VanDerWaalsContact O-CB 3.27Å; W86-S90 WeakPolarHBondContact O-CB 3.33Å; W86-S90 PolarHBondContact O-N 3.16Å; W86-S90 PolarHBondContact O-OG 3.44Å; W86-F92 HydrophobicContact CD2-CE2 4.47Å; W86-F92 HydrophobicContact CE3-CE2 4.33Å; W86-F92 AromaticContact CH2-CE2 3.91Å; W86-F92 HydrophobicContact CH2-CE2 3.91Å; W86-F92 HydrophobicContact CH2-CZ 4.27Å; W86-F92 AromaticContact CZ2-CE2 3.98Å; W86-F92 HydrophobicContact CZ2-CE2 3.98Å; W86-F92 HydrophobicContact CZ2-CZ 4.11Å; W86-F92 HydrophobicContact CZ3-CE2 4.07Å; W86-E865 HydrophobicContact CZ3-CG 4.33Å; W86-E865 WeakPolarHBondContact CZ3-OE1 3.46Å
87W95.4Very high92.9Very high0 Ų043.2 Ų43.20%020%0.203CC..Hα-helixtrans-61.1-43.4177.6-59.7-33.5000112.4W83 Y84 G91 F92 F93 P861 F862 E865 C888W83-W87 HydrophobicContact CB-CD2 4.41Å; W83-W87 HydrophobicContact CB-CH2 4.01Å; W83-W87 HydrophobicContact CB-CZ2 3.73Å; W83-W87 HydrophobicContact CB-CZ3 4.48Å; W83-W87 HydrophobicContact CG-CZ2 4.39Å; W83-W87 VanDerWaalsContact O-CD2 3.28Å; W83-W87 PolarHBondContact O-N 2.94Å; Y84-W87 AromaticContact CD2-CE3 3.92Å; Y84-W87 HydrophobicContact CD2-CE3 3.92Å; Y84-W87 HydrophobicContact CD2-CZ3 4.12Å; Y84-W87 HydrophobicContact CG-CE3 4.45Å; Y84-W87 PolarHBondContact O-N 3.39Å; W87-G91 PolarHBondContact O-N 3.34Å; W87-F92 HydrophobicContact CB-CD2 4.18Å; W87-F92 AromaticContact CD1-CD2 3.91Å; W87-F92 HydrophobicContact CG-CD2 4.4Å; W87-F92 PolarHBondContact O-N 2.97Å; W87-F93 HydrophobicContact CB-CE1 3.86Å; W87-F93 HydrophobicContact CB-CE2 4.07Å; W87-F93 HydrophobicContact CB-CZ 3.41Å; W87-F93 VanDerWaalsContact CB-CZ 3.41Å; W87-F93 HydrophobicContact CD2-CZ 4.24Å; W87-F93 AromaticContact CE3-CZ 3.92Å; W87-F93 HydrophobicContact CE3-CZ 3.92Å; W87-F93 HydrophobicContact CG-CE1 4.43Å; W87-F93 HydrophobicContact CG-CZ 4.11Å; W87-P861 HydrophobicContact CH2-CB 3.89Å; W87-P861 HydrophobicContact CZ3-CB 4.42Å; W87-F862 AromaticContact CH2-CD1 3.62Å; W87-F862 HydrophobicContact CH2-CD1 3.62Å; W87-F862 AromaticContact CH2-CE1 3.81Å; W87-F862 HydrophobicContact CH2-CE1 3.81Å; W87-F862 HydrophobicContact CH2-CG 4.04Å; W87-F862 HydrophobicContact CH2-CZ 4.34Å; W87-F862 AromaticContact CZ3-CD1 4Å; W87-F862 HydrophobicContact CZ3-CD1 4Å; W87-F862 AromaticContact CZ3-CE1 3.67Å; W87-F862 HydrophobicContact CZ3-CE1 3.67Å; W87-F862 HydrophobicContact CZ3-CE2 4.5Å; W87-F862 AromaticContact CZ3-CZ 3.95Å; W87-F862 HydrophobicContact CZ3-CZ 3.95Å; W87-E865 HydrophobicContact CZ2-CB 3.76Å; W87-E865 HydrophobicContact CZ2-CG 3.85Å; W87-C888 VanDerWaalsContact CD1-SG 3.59Å
88E94.2Very high92.1Very high66 Ų6639.6 Ų39.631%0.30819%0.187SC..Hα-helixtrans-64.9-48178.5-174.4169.9179.400110.8Y84 W86 S90 G91 R200Y84-E88 WeakPolarHBondContact CE1-OE2 3.49Å; Y84-E88 WeakPolarHBondContact O-CB 3.44Å; Y84-E88 PolarHBondContact O-N 3.34Å; W86-E88 PolarHBondContact O-N 2.83Å; E88-S90 PolarHBondContact O-N 3.42Å; E88-G91 PolarHBondContact O-N 3.14Å; E88-G91 VanDerWaalsContact O-N 3.11Å; E88-R200 IonicContact OE1-CZ 3.38Å; E88-R200 IonicContact OE1-NE 2.68Å; E88-R200 IonicContact OE1-NH2 3.07Å; E88-R200 PolarHBondContact OE1-NH2 3.3Å; E88-R200 IonicContact OE2-CZ 3.38Å; E88-R200 IonicContact OE2-NE 3.14Å; E88-R200 PolarHBondContact OE2-NE 3.23Å; E88-R200 IonicContact OE2-NH2 3.79Å
89R92.6Very high91.1Very high147 Ų14744.7 Ų44.756%0.55522%0.215SC*.Hα-helixtrans-65.4-36.4178.9-177.1174.956.4-144.4-14.5113G62 E85 W86 G91G62-R89 PolarHBondContact O-NH2 3.35Å; E85-R89 VanDerWaalsContact O-CB 3.25Å; E85-R89 WeakPolarHBondContact O-CB 3.29Å; E85-R89 PolarHBondContact O-N 3.26Å; W86-R89 PolarHBondContact O-N 3.27Å; R89-G91 PolarHBondContact O-N 3.07Å
90S92.2Very high89.7Confident30 Ų3054.1 Ų54.121%0.2126%0.259CS..Hα-helixtrans-71.9-12.2175.2-66.40000113.3W86 E88 F92W86-S90 PolarHBondContact NE1-OG 2.89Å; W86-S90 VanDerWaalsContact O-CB 3.27Å; W86-S90 WeakPolarHBondContact O-CB 3.33Å; W86-S90 PolarHBondContact O-N 3.16Å; W86-S90 PolarHBondContact O-OG 3.44Å; E88-S90 PolarHBondContact O-N 3.42Å; S90-F92 VanDerWaalsContact C-N 3.33Å; S90-F92 PolarHBondContact O-N 3.15Å
91G93.2Very high88.7Confident14 Ų1454.3 Ų54.314%0.14426%0.264CS..THydrogen-bonded Turntrans73.418.4177.400000114.6W87 E88 R89 F93 K94W87-G91 PolarHBondContact O-N 3.34Å; E88-G91 PolarHBondContact O-N 3.14Å; E88-G91 VanDerWaalsContact O-N 3.11Å; R89-G91 PolarHBondContact O-N 3.07Å; G91-F93 PolarHBondContact O-N 2.93Å; G91-K94 WeakPolarHBondContact O-CB 3.38Å; G91-K94 PolarHBondContact O-N 3.09Å
92F94.2Very high87.9Confident1 Ų158.5 Ų58.50%0.00429%0.288CS..THydrogen-bonded Turntrans-61.1-19.3-177.5-63.2-40.5000114.1W86 W87 S90 F97 R137 M884 C888 V889W86-F92 HydrophobicContact CD2-CE2 4.47Å; W86-F92 HydrophobicContact CE3-CE2 4.33Å; W86-F92 AromaticContact CH2-CE2 3.91Å; W86-F92 HydrophobicContact CH2-CE2 3.91Å; W86-F92 HydrophobicContact CH2-CZ 4.27Å; W86-F92 AromaticContact CZ2-CE2 3.98Å; W86-F92 HydrophobicContact CZ2-CE2 3.98Å; W86-F92 HydrophobicContact CZ2-CZ 4.11Å; W86-F92 HydrophobicContact CZ3-CE2 4.07Å; W87-F92 HydrophobicContact CB-CD2 4.18Å; W87-F92 AromaticContact CD1-CD2 3.91Å; W87-F92 HydrophobicContact CG-CD2 4.4Å; W87-F92 PolarHBondContact O-N 2.97Å; S90-F92 VanDerWaalsContact C-N 3.33Å; S90-F92 PolarHBondContact O-N 3.15Å; F92-F97 HydrophobicContact CD1-CD2 4.05Å; F92-F97 HydrophobicContact CD1-CE1 4.36Å; F92-F97 AromaticContact CD1-CE2 3.58Å; F92-F97 HydrophobicContact CD1-CE2 3.58Å; F92-F97 AromaticContact CD1-CZ 3.75Å; F92-F97 HydrophobicContact CD1-CZ 3.75Å; F92-F97 AromaticContact CE1-CE2 3.72Å; F92-F97 HydrophobicContact CE1-CE2 3.72Å; F92-F97 AromaticContact CE1-CZ 3.78Å; F92-F97 HydrophobicContact CE1-CZ 3.78Å; F92-R137 PolarHBondContact O-NE 3.43Å; F92-M884 HydrophobicContact CE1-CB 4.46Å; F92-C888 HydrophobicContact CB-CB 4.02Å; F92-C888 HydrophobicContact CD2-CB 4.09Å; F92-C888 HydrophobicContact CG-CB 4.22Å; F92-V889 HydrophobicContact CB-CG1 4.07Å; F92-V889 HydrophobicContact CD1-CG1 3.78Å; F92-V889 HydrophobicContact CD1-CG2 4.32Å; F92-V889 HydrophobicContact CE1-CG2 4.29Å; F92-V889 HydrophobicContact CG-CG1 4.13Å
93F95.9Very high87.8Confident6 Ų660.8 Ų60.83%0.02630%0.301CS..THydrogen-bonded Turntrans-88.9-8.7-179.8-52.8-22.8000113Y84 W87 G91 S205 C206Y84-F93 HydrophobicContact CE2-CE2 4.12Å; Y84-F93 HydrophobicContact CE2-CZ 4.48Å; W87-F93 HydrophobicContact CB-CE1 3.86Å; W87-F93 HydrophobicContact CB-CE2 4.07Å; W87-F93 HydrophobicContact CB-CZ 3.41Å; W87-F93 VanDerWaalsContact CB-CZ 3.41Å; W87-F93 HydrophobicContact CD2-CZ 4.24Å; W87-F93 AromaticContact CE3-CZ 3.92Å; W87-F93 HydrophobicContact CE3-CZ 3.92Å; W87-F93 HydrophobicContact CG-CE1 4.43Å; W87-F93 HydrophobicContact CG-CZ 4.11Å; G91-F93 PolarHBondContact O-N 2.93Å; F93-S205 VanDerWaalsContact CE1-CB 3.41Å; F93-C206 WeakPolarHBondContact CB-O 3.26Å; F93-C206 WeakPolarHBondContact CD2-O 3.25Å
94K94.5Very high87.7Confident88 Ų8865.5 Ų65.538%0.38332%0.322SS..SBendtrans-84.8134.7-178.7-64.9-171.5177.6-1790110.6G91 E96 F97G91-K94 WeakPolarHBondContact O-CB 3.38Å; G91-K94 PolarHBondContact O-N 3.09Å; K94-E96 WeakPolarHBondContact CB-OE2 3.47Å; K94-E96 PolarHBondContact O-N 3.13Å; K94-F97 WeakPolarHBondContact O-CB 3.11Å; K94-F97 PolarHBondContact O-N 3.4Å
95P92.4Very high87.8Confident2 Ų265 Ų651%0.01332%0.32CS..G310 helixtrans-60.6-27.3177.424.3-34.2000112.6F97 Q98 V142 L144 Y590P95-F97 PolarHBondContact O-N 3.02Å; P95-F97 VanDerWaalsContact O-N 3.09Å; P95-Q98 PolarHBondContact O-N 3.13Å; P95-V142 HydrophobicContact CB-CG1 3.62Å; P95-L144 HydrophobicContact CB-CB 4.25Å; P95-L144 HydrophobicContact CG-CB 4.16Å; P95-L144 HydrophobicContact CG-CD1 4.02Å; P95-L144 HydrophobicContact CG-CD2 4.43Å; P95-L144 HydrophobicContact CG-CG 4.43Å; P95-Y590 HydrophobicContact CB-CE1 4.02Å; P95-Y590 HydrophobicContact CG-CE1 4.06Å; P95-Y590 HydrophobicContact CG-CE2 4.45Å; P95-Y590 WeakPolarHBondContact CG-OH 3.35Å
96E87Confident87.9Confident79 Ų7958.9 Ų58.937%0.36929%0.292SS..G310 helixtrans-63.6-10.8176.3-61.480.1-174.500113.5K94 Q98 I99 R210K94-E96 WeakPolarHBondContact CB-OE2 3.47Å; K94-E96 PolarHBondContact O-N 3.13Å; E96-Q98 VanDerWaalsContact C-N 3.29Å; E96-I99 VanDerWaalsContact O-CD1 3.24Å; E96-I99 WeakPolarHBondContact O-CD1 3.32Å; E96-I99 VanDerWaalsContact O-CG1 3.28Å; E96-I99 WeakPolarHBondContact O-CG1 3.38Å; E96-R210 IonicContact OE1-CZ 3.46Å; E96-R210 IonicContact OE1-NH1 3.34Å; E96-R210 PolarHBondContact OE1-NH1 3.13Å; E96-R210 VanDerWaalsContact OE1-NH1 3.07Å; E96-R210 IonicContact OE1-NH2 3.4Å; E96-R210 PolarHBondContact OE1-NH2 3.34Å; E96-R210 IonicContact OE2-NH1 3.58Å; E96-R210 PolarHBondContact OE2-NH1 2.86Å
97F79.6Confident88.1Confident77 Ų7758.8 Ų58.834%0.33829%0.292SS..G310 helixtrans-71.7-23.1171.6-166.8-87000112.5F92 K94 P95 M884 V889F92-F97 HydrophobicContact CD1-CD2 4.05Å; F92-F97 HydrophobicContact CD1-CE1 4.36Å; F92-F97 AromaticContact CD1-CE2 3.58Å; F92-F97 HydrophobicContact CD1-CE2 3.58Å; F92-F97 AromaticContact CD1-CZ 3.75Å; F92-F97 HydrophobicContact CD1-CZ 3.75Å; F92-F97 AromaticContact CE1-CE2 3.72Å; F92-F97 HydrophobicContact CE1-CE2 3.72Å; F92-F97 AromaticContact CE1-CZ 3.78Å; F92-F97 HydrophobicContact CE1-CZ 3.78Å; K94-F97 WeakPolarHBondContact O-CB 3.11Å; K94-F97 PolarHBondContact O-N 3.4Å; P95-F97 PolarHBondContact O-N 3.02Å; P95-F97 VanDerWaalsContact O-N 3.09Å; F97-M884 HydrophobicContact CE2-SD 4.15Å; F97-V889 HydrophobicContact CD1-CB 4.35Å; F97-V889 HydrophobicContact CD1-CG1 3.71Å; F97-V889 HydrophobicContact CE1-CB 3.73Å; F97-V889 HydrophobicContact CE1-CG1 3.47Å; F97-V889 VanDerWaalsContact CE1-CG1 3.47Å; F97-V889 HydrophobicContact CE1-CG2 3.91Å; F97-V889 HydrophobicContact CZ-CB 4.43Å; F97-V889 HydrophobicContact CZ-CG1 4.13Å; F97-V889 HydrophobicContact CZ-CG2 4.14Å
98Q75.8Confident88.2Confident31 Ų3159.2 Ų59.215%0.14529%0.294CS..G310 helixtrans-120.935.7-170.1-63.6-176.5-56.400113.7P95 E96 E100 S101 R137 K141 V142P95-Q98 PolarHBondContact O-N 3.13Å; E96-Q98 VanDerWaalsContact C-N 3.29Å; Q98-E100 PolarHBondContact O-N 3.47Å; Q98-S101 PolarHBondContact O-N 3.02Å; Q98-R137 PolarHBondContact NE2-O 2.98Å; Q98-K141 PolarHBondContact OE1-O 3.4Å; Q98-V142 HydrophobicContact CB-CG2 4.47Å; Q98-V142 WeakPolarHBondContact O-CG2 3.49Å
99I71.8Confident88.3Confident136 Ų13656.3 Ų56.370%0.69728%0.281SS*.THydrogen-bonded Turntrans-53.2-22.9-170.4-65.8163.4000114.4E96 S101E96-I99 VanDerWaalsContact O-CD1 3.24Å; E96-I99 WeakPolarHBondContact O-CD1 3.32Å; E96-I99 VanDerWaalsContact O-CG1 3.28Å; E96-I99 WeakPolarHBondContact O-CG1 3.38Å; I99-S101 VanDerWaalsContact C-N 3.34Å; I99-S101 PolarHBondContact O-N 2.84Å
100E66.2Low88.4Confident197 Ų19750.3 Ų50.392%0.92126%0.261SS*.THydrogen-bonded Turntrans-77.9-7.3-171.8-60.5-177.2171.800115.5Q98Q98-E100 PolarHBondContact O-N 3.47Å
101S73.6Confident88.5Confident33 Ų3349.4 Ų49.423%0.23125%0.254CS..  trans-101.2134-175-174.10000113.6Q98 I99 D103 G140 V142Q98-S101 PolarHBondContact O-N 3.02Å; I99-S101 VanDerWaalsContact C-N 3.34Å; I99-S101 PolarHBondContact O-N 2.84Å; S101-D103 VanDerWaalsContact C-N 3.32Å; S101-D103 PolarHBondContact OG-N 3.48Å; S101-G140 WeakPolarHBondContact CB-O 3.35Å; S101-G140 PolarHBondContact OG-O 2.9Å; S101-V142 WeakPolarHBondContact O-CG2 3.2Å
102P76.8Confident88.6Confident119 Ų11949.1 Ų49.177%0.77325%0.25SC*.SBendtrans-74.3-24.1174.830.8-34.5000112.7
103D89.3Confident88.5Confident92 Ų9252.4 Ų52.449%0.49227%0.268SS..  trans-86.5130.9-176.3-83.5-2.2000111.3S101 K141 V142S101-D103 VanDerWaalsContact C-N 3.32Å; S101-D103 PolarHBondContact OG-N 3.48Å; D103-K141 HydrophobicContact CB-CD 4.18Å; D103-K141 HydrophobicContact CB-CG 4.03Å; D103-K141 CarbonylContact O-C 3.54Å; D103-K141 WeakPolarHBondContact O-CA 3.34Å; D103-V142 PolarHBondContact O-N 3.44Å
104K93.3Very high88.3Confident100 Ų10052.1 Ų52.144%0.43527%0.266SS..EExtended strand (participates in β ladder)trans-116.7146.4-177.5-57.2179.4178.9176.40111.8V142 A589 S594K104-V142 CarbonylContact C-O 3.57Å; K104-V142 VanDerWaalsContact CA-O 3.32Å; K104-V142 WeakPolarHBondContact CA-O 3.33Å; K104-V142 HydrophobicContact CG-CB 4.16Å; K104-A589 PolarHBondContact NZ-O 3.41Å; K104-S594 PolarHBondContact O-OG 2.96Å
105F96.8Very high88Confident9 Ų949.6 Ų49.64%0.03926%0.258CS..EExtended strand (participates in β ladder)trans-126.2113.9164.8179.8-98.3000109.3M107 I132 H136 V142 T143 L144 S594 L595F105-M107 HydrophobicContact CE1-CB 4.02Å; F105-M107 HydrophobicContact CE1-CE 4.36Å; F105-M107 HydrophobicContact CZ-CB 4.18Å; F105-M107 HydrophobicContact CZ-SD 4.23Å; F105-I132 HydrophobicContact CE1-CG2 4.12Å; F105-I132 HydrophobicContact CE2-CG2 4Å; F105-I132 HydrophobicContact CZ-CG2 3.47Å; F105-I132 VanDerWaalsContact CZ-CG2 3.47Å; F105-H136 HydrophobicContact CB-CB 3.8Å; F105-H136 HydrophobicContact CD1-CB 4.04Å; F105-H136 AromaticContact CD1-CD2 3.83Å; F105-H136 HydrophobicContact CD2-CB 4.42Å; F105-H136 AromaticContact CD2-CD2 3.14Å; F105-H136 WeakPolarHBondContact CD2-CD2 3.44Å; F105-H136 AromaticContact CD2-CG 3.72Å; F105-H136 AromaticContact CD2-NE2 3.39Å; F105-H136 WeakPolarHBondContact CD2-NE2 3.09Å; F105-H136 AromaticContact CE1-CD2 3.98Å; F105-H136 AromaticContact CE2-CD2 3.32Å; F105-H136 WeakPolarHBondContact CE2-CD2 3.46Å; F105-H136 AromaticContact CE2-NE2 3.5Å; F105-H136 WeakPolarHBondContact CE2-NE2 3.29Å; F105-H136 HydrophobicContact CG-CB 3.82Å; F105-H136 AromaticContact CG-CD2 3.41Å; F105-H136 VanDerWaalsContact CG-CD2 3.41Å; F105-H136 WeakPolarHBondContact CG-CD2 3.27Å; F105-H136 AromaticContact CG-CG 3.62Å; F105-H136 AromaticContact CZ-CD2 3.74Å; F105-V142 PolarHBondContact N-O 3.07Å; F105-T143 HydrophobicContact CD1-CG2 3.93Å; F105-T143 CarbonylContact O-C 3.52Å; F105-T143 WeakPolarHBondContact O-CA 3.43Å; F105-L144 PolarHBondContact O-N 2.96Å; F105-S594 WeakPolarHBondContact CA-OG 3.42Å; F105-L595 HydrophobicContact CE2-CB 3.79Å; F105-L595 HydrophobicContact CE2-CD2 4.28Å; F105-L595 HydrophobicContact CZ-CB 3.98Å; F105-L595 HydrophobicContact CZ-CD2 4.01Å
106V97.4Very high87.6Confident5 Ų550 Ų503%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-121.8131.6179.9-176.40000110L144 F578 Y590 S594 L595V106-L144 WeakPolarHBondContact CA-O 3.33Å; V106-L144 HydrophobicContact CG1-CB 4.49Å; V106-L144 HydrophobicContact CG1-CD2 4.42Å; V106-L144 HydrophobicContact CG2-CB 4.4Å; V106-F578 HydrophobicContact CG1-CE2 4.44Å; V106-F578 HydrophobicContact CG1-CZ 3.81Å; V106-Y590 HydrophobicContact CG2-CD1 3.99Å; V106-S594 PolarHBondContact N-OG 2.9Å; V106-S594 PolarHBondContact O-N 3.28Å; V106-L595 PolarHBondContact O-N 3.32Å
107M98.2Very high87.7Confident2 Ų248 Ų481%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-143.4146.4177.3-176.9168.868.400110.2F105 E129 T133 L144 W145 V146 L595 E597F105-M107 HydrophobicContact CE1-CB 4.02Å; F105-M107 HydrophobicContact CE1-CE 4.36Å; F105-M107 HydrophobicContact CZ-CB 4.18Å; F105-M107 HydrophobicContact CZ-SD 4.23Å; M107-E129 HydrophobicContact CE-CB 3.48Å; M107-E129 VanDerWaalsContact CE-CB 3.48Å; M107-E129 HydrophobicContact CE-CG 3.7Å; M107-E129 WeakPolarHBondContact CE-O 3.48Å; M107-E129 HydrophobicContact SD-CB 4.45Å; M107-E129 HydrophobicContact SD-CG 4.05Å; M107-T133 VanDerWaalsContact CE-OG1 3.31Å; M107-T133 WeakPolarHBondContact CE-OG1 3.34Å; M107-L144 PolarHBondContact N-O 3.48Å; M107-W145 HydrophobicContact CE-CD2 4.27Å; M107-W145 HydrophobicContact CE-CG 4Å; M107-W145 VanDerWaalsContact O-CA 3.32Å; M107-W145 WeakPolarHBondContact O-CA 3.34Å; M107-V146 PolarHBondContact O-N 2.91Å; M107-L595 WeakPolarHBondContact CG-O 3.45Å; M107-L595 HydrophobicContact SD-CB 4.49Å; M107-L595 HydrophobicContact SD-CD2 3.91Å; M107-L595 HydrophobicContact SD-CG 4.22Å; M107-E597 HydrophobicContact SD-CB 3.88Å
108V97.6Very high88.4Confident9 Ų944.5 Ų44.56%0.05524%0.24CC..EExtended strand (participates in β ladder)trans-112.9140.1171.9-610000108.9V146 F573 P574 V577 F578 L596V108-V146 HydrophobicContact CG1-CB 4.16Å; V108-V146 HydrophobicContact CG1-CG2 4.25Å; V108-F573 HydrophobicContact CB-CD1 3.9Å; V108-F573 HydrophobicContact CB-CE1 3.85Å; V108-F573 HydrophobicContact CG2-CD1 4.02Å; V108-F573 HydrophobicContact CG2-CE1 4.43Å; V108-P574 HydrophobicContact CG2-CG 4.39Å; V108-V577 HydrophobicContact CG1-CG1 4.24Å; V108-F578 HydrophobicContact CG1-CZ 4.46Å; V108-L596 HydrophobicContact CG2-CD1 4.15Å
109I95.7Very high89.2Confident5 Ų545.3 Ų45.33%0.02624%0.244CC..  trans-66.5147.2174.8-161.9169.1000110.1P111 E129 W145 V146 L199 F573I109-P111 WeakPolarHBondContact O-CD 3.43Å; I109-P111 VanDerWaalsContact O-N 3.08Å; I109-E129 WeakPolarHBondContact CG1-OE2 3.19Å; I109-W145 HydrophobicContact CD1-CZ2 4.35Å; I109-V146 WeakPolarHBondContact CG2-O 3.45Å; I109-V146 PolarHBondContact N-O 3Å; I109-L199 HydrophobicContact CD1-CD1 4.06Å; I109-L199 HydrophobicContact CD1-CD2 4.36Å; I109-F573 HydrophobicContact CG2-CE1 4.39Å; I109-F573 WeakPolarHBondContact O-CE1 3.27Å
110P94.5Very high90.3Very high22 Ų2238.9 Ų38.914%0.14321%0.211CC..  trans-59.4104.9154.323.1-29.1000109.1P112 T125 E129 W606P110-P112 WeakPolarHBondContact O-CD 3.23Å; P110-P112 VanDerWaalsContact O-N 3.07Å; P110-T125 HydrophobicContact CG-CG2 3.54Å; P110-E129 WeakPolarHBondContact CD-OE1 3.49Å; P110-W606 VanDerWaalsContact CA-CZ3 3.45Å; P110-W606 HydrophobicContact CB-CE3 4.26Å; P110-W606 HydrophobicContact CB-CH2 3.94Å; P110-W606 HydrophobicContact CB-CZ3 3.49Å; P110-W606 VanDerWaalsContact CB-CZ3 3.49Å
111P94.7Very high91.6Very high10 Ų1030 Ų307%0.06517%0.173CC..PPolyproline II helixtrans-62117.8-171.825.7-32.5000109I109 N113 D150 F573 W606I109-P111 WeakPolarHBondContact O-CD 3.43Å; I109-P111 VanDerWaalsContact O-N 3.08Å; P111-N113 PolarHBondContact O-N 3.1Å; P111-D150 HydrophobicContact CB-CB 4.14Å; P111-D150 HydrophobicContact CG-CB 4.11Å; P111-D150 WeakPolarHBondContact O-CB 3.21Å; P111-F573 HydrophobicContact CG-CD1 4.38Å; P111-F573 HydrophobicContact CG-CE1 4.49Å; P111-W606 VanDerWaalsContact CD-CZ2 3.49Å; P111-W606 HydrophobicContact CG-CZ2 4.41Å
112P94.8Very high92.6Very high8 Ų831 Ų315%0.05217%0.174CC..PPolyproline II helixtrans-64.5141.4-177.2-23.134.8000111.3P110 L118 G148 C149 D150 I195P110-P112 WeakPolarHBondContact O-CD 3.23Å; P110-P112 VanDerWaalsContact O-N 3.07Å; P112-L118 HydrophobicContact CB-CD2 3.62Å; P112-L118 HydrophobicContact CG-CD2 4.06Å; P112-G148 WeakPolarHBondContact CD-O 3.5Å; P112-C149 WeakPolarHBondContact O-CA 3.44Å; P112-D150 PolarHBondContact O-N 3.07Å; P112-I195 HydrophobicContact CB-CD1 4.46Å; P112-I195 HydrophobicContact CB-CG2 4.06Å; P112-I195 HydrophobicContact CG-CG2 4.09Å
113N93.3Very high93.6Very high71 Ų7125.4 Ų25.438%0.3814%0.137SC..BIsolated β-bridgetrans-68.1131.5178.9-67.2-6.6000110.8P111 T115 A152P111-N113 PolarHBondContact O-N 3.1Å; N113-T115 HydrophobicContact CB-CG2 3.91Å; N113-T115 PolarHBondContact O-N 3.13Å; N113-A152 HydrophobicContact CB-CB 3.53Å; N113-A152 VanDerWaalsContact CG-CB 3.46Å
114V92.2Very high93.9Very high0 Ų021 Ų210%011%0.114CC..SBendtrans-71.846.7175.6-60.80000113.4C149 D150 T156 W187 K188 I195 F213V114-C149 HydrophobicContact CG1-CB 3.99Å; V114-D150 WeakPolarHBondContact CG2-O 3.4Å; V114-D150 PolarHBondContact N-O 3.19Å; V114-T156 HydrophobicContact CG2-CG2 4Å; V114-W187 PolarHBondContact O-NE1 2.99Å; V114-K188 HydrophobicContact CG1-CG 4.45Å; V114-I195 HydrophobicContact CG1-CD1 4.37Å; V114-F213 HydrophobicContact CG1-CE2 4.12Å; V114-F213 HydrophobicContact CG2-CE2 4.24Å
115T86.6Confident94Very high34 Ų3417 Ų1721%0.20910%0.098CC..SBendtrans-99-0.8-177.7590000113.3N113 A152 A155N113-T115 HydrophobicContact CB-CG2 3.91Å; N113-T115 PolarHBondContact O-N 3.13Å; T115-A152 HydrophobicContact CG2-CB 4.25Å; T115-A155 HydrophobicContact CG2-CB 3.77Å
116G84.8Confident94Very high10 Ų1016.7 Ų16.710%0.10310%0.097CC..SBendtrans145-145.8179.500000110.8
117V88.9Confident94.1Very high37 Ų3716.4 Ų16.422%0.22410%0.095CC..  trans-81154.5-177.9-53.50000112.8K642V117-K642 WeakPolarHBondContact O-CE 3.21Å; V117-K642 PolarHBondContact O-NZ 3.39Å
118L94.1Very high94Very high4 Ų416.3 Ų16.32%0.02110%0.095CC..  trans-66.8162.2169.1-59.3-173.5000111.4P112 H122 I195 Q198 L199 P650P112-L118 HydrophobicContact CB-CD2 3.62Å; P112-L118 HydrophobicContact CG-CD2 4.06Å; L118-H122 HydrophobicContact CB-CB 4.12Å; L118-H122 HydrophobicContact CD1-CB 4.35Å; L118-H122 HydrophobicContact CD2-CB 4.1Å; L118-H122 HydrophobicContact CG-CB 4.42Å; L118-I195 HydrophobicContact CD1-CG2 4.29Å; L118-I195 HydrophobicContact CD2-CG1 4.06Å; L118-I195 HydrophobicContact CD2-CG2 4.1Å; L118-I195 HydrophobicContact CG-CG1 4.26Å; L118-I195 HydrophobicContact CG-CG2 4.33Å; L118-Q198 HydrophobicContact CD1-CB 3.91Å; L118-Q198 HydrophobicContact CG-CB 4.33Å; L118-L199 HydrophobicContact CD1-CD2 3.73Å; L118-L199 HydrophobicContact CD1-CG 4Å; L118-P650 HydrophobicContact CB-CG 4.46Å
119H93.4Very high94.1Very high48 Ų4815.9 Ų15.922%0.2229%0.092CC..  trans-134.8173177.160.254000110.5G121 H122 A123 A647 I648H119-G121 WeakPolarHBondContact ND1-CA 3.49Å; H119-G121 PolarHBondContact ND1-N 3.49Å; H119-G121 PolarHBondContact O-N 3.2Å; H119-H122 AromaticContact CD2-CE1 3.6Å; H119-H122 AromaticContact CD2-ND1 3.57Å; H119-H122 AromaticContact CE1-CE1 3.44Å; H119-H122 PolarHBondContact CE1-CE1 2.62Å; H119-H122 VanDerWaalsContact CE1-CE1 3.44Å; H119-H122 AromaticContact CE1-ND1 3.2Å; H119-H122 PolarHBondContact CE1-ND1 3.43Å; H119-H122 AromaticContact CG-ND1 3.49Å; H119-H122 PolarHBondContact N-ND1 3.43Å; H119-H122 AromaticContact ND1-CE1 3.9Å; H119-H122 AromaticContact ND1-ND1 3.24Å; H119-H122 PolarHBondContact ND1-ND1 3.43Å; H119-H122 AromaticContact NE2-CE1 3.23Å; H119-H122 PolarHBondContact NE2-CE1 3.25Å; H119-H122 AromaticContact NE2-ND1 3.4Å; H119-H122 PolarHBondContact NE2-ND1 3.36Å; H119-H122 WeakPolarHBondContact O-CA 3.32Å; H119-H122 WeakPolarHBondContact O-CB 3.29Å; H119-H122 PolarHBondContact O-N 3.46Å; H119-A123 PolarHBondContact O-N 2.67Å; H119-A647 HydrophobicContact CB-CB 4.29Å; H119-I648 CarbonylContact C-O 3.47Å; H119-I648 WeakPolarHBondContact CA-O 3.25Å
120L94.7Very high94.2Very high1 Ų115.7 Ų15.71%0.0059%0.091CC..Hα-helixtrans-56-28.5-176.4-60.8179.3000115.6A123 L124 M640 I648 P650 V653 L699 L715 I717L120-A123 WeakPolarHBondContact O-CB 3.46Å; L120-A123 PolarHBondContact O-N 3.04Å; L120-L124 PolarHBondContact O-N 3.29Å; L120-M640 HydrophobicContact CB-CE 4.12Å; L120-M640 HydrophobicContact CB-SD 4.09Å; L120-M640 HydrophobicContact CD1-CE 4.32Å; L120-I648 HydrophobicContact CD1-CB 3.79Å; L120-I648 HydrophobicContact CD1-CD1 4.14Å; L120-I648 HydrophobicContact CD1-CG2 3.95Å; L120-I648 HydrophobicContact CG-CB 4.03Å; L120-I648 HydrophobicContact CG-CG2 4.22Å; L120-I648 PolarHBondContact N-O 3.49Å; L120-I648 VanDerWaalsContact N-O 3.15Å; L120-P650 HydrophobicContact CD2-CB 4.13Å; L120-V653 HydrophobicContact CD2-CG2 4.06Å; L120-L699 HydrophobicContact CD2-CD1 4.11Å; L120-L699 HydrophobicContact CD2-CD2 4.45Å; L120-L715 HydrophobicContact CB-CD2 4.13Å; L120-L715 HydrophobicContact CD1-CD2 3.58Å; L120-L715 HydrophobicContact CG-CD2 4.37Å; L120-I717 HydrophobicContact CD1-CD1 3.61Å
121G93.6Very high94.4Very high12 Ų1214.6 Ų14.612%0.1248%0.084CC..Hα-helixtrans-55.4-47.516700000113.8H119 A123 L124 T125H119-G121 WeakPolarHBondContact ND1-CA 3.49Å; H119-G121 PolarHBondContact ND1-N 3.49Å; H119-G121 PolarHBondContact O-N 3.2Å; G121-A123 VanDerWaalsContact C-N 3.3Å; G121-A123 PolarHBondContact O-N 3.05Å; G121-L124 WeakPolarHBondContact O-CB 3.42Å; G121-L124 PolarHBondContact O-N 3.14Å; G121-T125 PolarHBondContact O-N 3.3Å; G121-T125 PolarHBondContact O-OG1 3.11Å; G121-T125 VanDerWaalsContact O-OG1 3.06Å
122H95.1Very high94.6Very high54 Ų5414.4 Ų14.425%0.258%0.082CC..Hα-helixtrans-66.5-34.4175-59.294.7000111.7L118 H119 L124 T125 N126L118-H122 HydrophobicContact CB-CB 4.12Å; L118-H122 HydrophobicContact CD1-CB 4.35Å; L118-H122 HydrophobicContact CD2-CB 4.1Å; L118-H122 HydrophobicContact CG-CB 4.42Å; H119-H122 AromaticContact CD2-CE1 3.6Å; H119-H122 AromaticContact CD2-ND1 3.57Å; H119-H122 AromaticContact CE1-CE1 3.44Å; H119-H122 PolarHBondContact CE1-CE1 2.62Å; H119-H122 VanDerWaalsContact CE1-CE1 3.44Å; H119-H122 AromaticContact CE1-ND1 3.2Å; H119-H122 PolarHBondContact CE1-ND1 3.43Å; H119-H122 AromaticContact CG-ND1 3.49Å; H119-H122 PolarHBondContact N-ND1 3.43Å; H119-H122 AromaticContact ND1-CE1 3.9Å; H119-H122 AromaticContact ND1-ND1 3.24Å; H119-H122 PolarHBondContact ND1-ND1 3.43Å; H119-H122 AromaticContact NE2-CE1 3.23Å; H119-H122 PolarHBondContact NE2-CE1 3.25Å; H119-H122 AromaticContact NE2-ND1 3.4Å; H119-H122 PolarHBondContact NE2-ND1 3.36Å; H119-H122 WeakPolarHBondContact O-CA 3.32Å; H119-H122 WeakPolarHBondContact O-CB 3.29Å; H119-H122 PolarHBondContact O-N 3.46Å; H122-L124 VanDerWaalsContact C-N 3.32Å; H122-L124 PolarHBondContact O-N 2.91Å; H122-T125 PolarHBondContact O-N 3.18Å; H122-N126 VanDerWaalsContact O-CB 3.25Å; H122-N126 WeakPolarHBondContact O-CB 3.23Å; H122-N126 PolarHBondContact O-N 2.62Å
123A96.5Very high94.7Very high0 Ų014 Ų140%08%0.08CC..Hα-helixtrans-65-35.7175.600000112H119 L120 G121 S127 L202 P650 L703H119-A123 PolarHBondContact O-N 2.67Å; L120-A123 WeakPolarHBondContact O-CB 3.46Å; L120-A123 PolarHBondContact O-N 3.04Å; G121-A123 VanDerWaalsContact C-N 3.3Å; G121-A123 PolarHBondContact O-N 3.05Å; A123-S127 VanDerWaalsContact O-CB 3.28Å; A123-S127 WeakPolarHBondContact O-CB 3.39Å; A123-S127 PolarHBondContact O-N 3.41Å; A123-S127 PolarHBondContact O-OG 2.94Å; A123-L202 HydrophobicContact CB-CD1 4.12Å; A123-L202 HydrophobicContact CB-CD2 4.03Å; A123-P650 HydrophobicContact CB-CB 3.86Å; A123-P650 HydrophobicContact CB-CG 4.34Å; A123-L703 HydrophobicContact CB-CD1 3.75Å
124L96.1Very high95Very high0 Ų010.6 Ų10.60%06%0.062CC..Hα-helixtrans-63.2-54.3173.4172.964.8000110.7L120 G121 H122 N126 S127 V128 A630 V632 L703 T707 I713L120-L124 PolarHBondContact O-N 3.29Å; G121-L124 WeakPolarHBondContact O-CB 3.42Å; G121-L124 PolarHBondContact O-N 3.14Å; H122-L124 VanDerWaalsContact C-N 3.32Å; H122-L124 PolarHBondContact O-N 2.91Å; L124-N126 VanDerWaalsContact C-N 3.27Å; L124-N126 PolarHBondContact O-N 3.41Å; L124-S127 PolarHBondContact O-N 2.98Å; L124-S127 VanDerWaalsContact O-N 3.12Å; L124-V128 HydrophobicContact CD1-CG2 3.96Å; L124-V128 WeakPolarHBondContact O-CG2 3.47Å; L124-V128 PolarHBondContact O-N 3.21Å; L124-A630 WeakPolarHBondContact CD2-O 3.14Å; L124-V632 HydrophobicContact CB-CG2 3.79Å; L124-V632 HydrophobicContact CD2-CG2 3.4Å; L124-V632 HydrophobicContact CG-CG2 4.22Å; L124-L703 HydrophobicContact CB-CD2 4.29Å; L124-L703 HydrophobicContact CD1-CB 3.91Å; L124-L703 WeakPolarHBondContact CD1-O 3.39Å; L124-T707 HydrophobicContact CD1-CG2 3.94Å; L124-I713 HydrophobicContact CD2-CD1 3.68Å
125T95.9Very high95.2Very high17 Ų1711.8 Ų11.810%0.1047%0.066CC..Hα-helixtrans-48.1-54.5177.2-50.60000109.9P110 G121 H122 S127 V128 E129 E597 H629P110-T125 HydrophobicContact CG-CG2 3.54Å; G121-T125 PolarHBondContact O-N 3.3Å; G121-T125 PolarHBondContact O-OG1 3.11Å; G121-T125 VanDerWaalsContact O-OG1 3.06Å; H122-T125 PolarHBondContact O-N 3.18Å; T125-S127 PolarHBondContact O-N 3.35Å; T125-V128 PolarHBondContact O-N 3.34Å; T125-E129 WeakPolarHBondContact O-CB 3.49Å; T125-E129 WeakPolarHBondContact O-CG 3.37Å; T125-E129 PolarHBondContact O-N 2.82Å; T125-E597 WeakPolarHBondContact CG2-OE2 3.27Å; T125-H629 PolarHBondContact OG1-CE1 2.87Å; T125-H629 PolarHBondContact OG1-NE2 3.37Å
126N97Very high95.7Very high1 Ų111.4 Ų11.41%0.0056%0.062CC..Hα-helixtrans-64-38.8-179-173.4-101.4000113.9H122 L124 V128 D130 W145 L199 L202 S204H122-N126 VanDerWaalsContact O-CB 3.25Å; H122-N126 WeakPolarHBondContact O-CB 3.23Å; H122-N126 PolarHBondContact O-N 2.62Å; L124-N126 VanDerWaalsContact C-N 3.27Å; L124-N126 PolarHBondContact O-N 3.41Å; N126-V128 VanDerWaalsContact C-N 3.34Å; N126-D130 WeakPolarHBondContact O-CB 3.46Å; N126-D130 PolarHBondContact O-N 3.03Å; N126-W145 WeakPolarHBondContact ND2-CH2 3.49Å; N126-L199 HydrophobicContact CB-CD2 4.44Å; N126-L202 HydrophobicContact CB-CD1 4.34Å; N126-L202 WeakPolarHBondContact OD1-CB 3.22Å; N126-S204 PolarHBondContact ND2-OG 3.02Å; N126-S204 PolarHBondContact OD1-OG 3.5Å
127S97.9Very high96.2Very high0 Ų011 Ų110%06%0.057CC..Hα-helixtrans-65.5-38.9177.9-59.80000111.9A123 L124 T125 A131A123-S127 VanDerWaalsContact O-CB 3.28Å; A123-S127 WeakPolarHBondContact O-CB 3.39Å; A123-S127 PolarHBondContact O-N 3.41Å; A123-S127 PolarHBondContact O-OG 2.94Å; L124-S127 PolarHBondContact O-N 2.98Å; L124-S127 VanDerWaalsContact O-N 3.12Å; T125-S127 PolarHBondContact O-N 3.35Å; S127-A131 WeakPolarHBondContact O-CB 3.29Å; S127-A131 PolarHBondContact O-N 2.7Å; S127-A131 VanDerWaalsContact O-N 3.09Å
128V97.4Very high96.5Very high0 Ų09.4 Ų9.40%05%0.047CC..Hα-helixtrans-69.3-52.8176.6169.10000110.2L124 T125 N126 D130 A131 I132 E597 Y627 F794L124-V128 HydrophobicContact CD1-CG2 3.96Å; L124-V128 WeakPolarHBondContact O-CG2 3.47Å; L124-V128 PolarHBondContact O-N 3.21Å; T125-V128 PolarHBondContact O-N 3.34Å; N126-V128 VanDerWaalsContact C-N 3.34Å; V128-D130 VanDerWaalsContact C-N 3.33Å; V128-D130 PolarHBondContact O-N 3.35Å; V128-A131 PolarHBondContact O-N 2.8Å; V128-I132 HydrophobicContact CG1-CD1 3.83Å; V128-I132 VanDerWaalsContact O-CG1 3.31Å; V128-I132 WeakPolarHBondContact O-CG1 3.34Å; V128-I132 PolarHBondContact O-N 3.09Å; V128-E597 HydrophobicContact CG1-CG 3.75Å; V128-Y627 HydrophobicContact CG1-CD1 4.21Å; V128-Y627 HydrophobicContact CG1-CE1 3.85Å; V128-F794 HydrophobicContact CG1-CE2 3.72Å; V128-F794 HydrophobicContact CG1-CZ 3.87Å; V128-F794 HydrophobicContact CG2-CD2 4.49Å; V128-F794 HydrophobicContact CG2-CE2 4.46Å
129E98.3Very high96.5Very high0 Ų011.2 Ų11.20%06%0.057CC..Hα-helixtrans-56.3-46.8179.3-76.8-177.1134.700112M107 I109 P110 T125 I132 T133 W145 E597M107-E129 HydrophobicContact CE-CB 3.48Å; M107-E129 VanDerWaalsContact CE-CB 3.48Å; M107-E129 HydrophobicContact CE-CG 3.7Å; M107-E129 WeakPolarHBondContact CE-O 3.48Å; M107-E129 HydrophobicContact SD-CB 4.45Å; M107-E129 HydrophobicContact SD-CG 4.05Å; I109-E129 WeakPolarHBondContact CG1-OE2 3.19Å; P110-E129 WeakPolarHBondContact CD-OE1 3.49Å; T125-E129 WeakPolarHBondContact O-CB 3.49Å; T125-E129 WeakPolarHBondContact O-CG 3.37Å; T125-E129 PolarHBondContact O-N 2.82Å; E129-I132 PolarHBondContact O-N 3.24Å; E129-T133 VanDerWaalsContact O-CB 3.27Å; E129-T133 WeakPolarHBondContact O-CB 3.3Å; E129-T133 PolarHBondContact O-N 3.32Å; E129-T133 PolarHBondContact O-OG1 2.9Å; E129-W145 HydrophobicContact CB-CH2 3.9Å; E129-W145 HydrophobicContact CB-CZ2 3.38Å; E129-W145 HydrophobicContact CG-CZ2 4.27Å; E129-W145 VanDerWaalsContact OE2-CZ2 3.28Å; E129-W145 WeakPolarHBondContact OE2-CZ2 3.23Å; E129-E597 HydrophobicContact CG-CB 3.57Å; E129-E597 HydrophobicContact CG-CG 3.59Å
130D98.5Very high96.4Very high0 Ų010.6 Ų10.60%06%0.063CC..Hα-helixtrans-68.3-38.2179.9-167.245.1000112N126 V128 T133 R134 W145 S205 R700N126-D130 WeakPolarHBondContact O-CB 3.46Å; N126-D130 PolarHBondContact O-N 3.03Å; V128-D130 VanDerWaalsContact C-N 3.33Å; V128-D130 PolarHBondContact O-N 3.35Å; D130-T133 PolarHBondContact O-N 2.97Å; D130-R134 WeakPolarHBondContact O-CB 3.28Å; D130-R134 VanDerWaalsContact O-CG 3.29Å; D130-R134 WeakPolarHBondContact O-CG 3.41Å; D130-R134 PolarHBondContact O-N 3.29Å; D130-R134 IonicContact OD1-NE 3.65Å; D130-R134 PolarHBondContact OD1-NE 3.48Å; D130-R134 IonicContact OD2-CZ 2.73Å; D130-R134 IonicContact OD2-NE 3.82Å; D130-R134 PolarHBondContact OD2-NE 3.23Å; D130-R134 IonicContact OD2-NH2 3.35Å; D130-W145 HydrophobicContact CB-CE3 4.45Å; D130-W145 HydrophobicContact CB-CH2 3.72Å; D130-W145 HydrophobicContact CB-CZ3 3.45Å; D130-W145 VanDerWaalsContact CB-CZ3 3.45Å; D130-W145 VanDerWaalsContact OD1-CZ3 3.32Å; D130-W145 WeakPolarHBondContact OD1-CZ3 3.25Å; D130-S205 WeakPolarHBondContact OD1-CA 3.5Å; D130-S205 WeakPolarHBondContact OD1-CB 3.36Å; D130-S205 PolarHBondContact OD1-N 3.33Å; D130-S205 PolarHBondContact OD1-OG 3.1Å; D130-R700 IonicContact OD2-CZ 3.4Å; D130-R700 IonicContact OD2-NH1 2.58Å; D130-R700 PolarHBondContact OD2-NH1 2.76Å; D130-R700 IonicContact OD2-NH2 3.58Å; D130-R700 PolarHBondContact OD2-NH2 3.47Å
131A98.6Very high96.4Very high0 Ų013.3 Ų13.30%08%0.075CC..Hα-helixtrans-62.6-44.6176.800000111.5S127 V128 W135 F789 P858 F859S127-A131 WeakPolarHBondContact O-CB 3.29Å; S127-A131 PolarHBondContact O-N 2.7Å; S127-A131 VanDerWaalsContact O-N 3.09Å; V128-A131 PolarHBondContact O-N 2.8Å; A131-W135 WeakPolarHBondContact O-CB 3.31Å; A131-W135 PolarHBondContact O-N 3.38Å; A131-F789 HydrophobicContact CB-CE1 4.07Å; A131-F789 HydrophobicContact CB-CZ 4.38Å; A131-F789 WeakPolarHBondContact O-CE1 3.46Å; A131-P858 WeakPolarHBondContact CA-O 3.49Å; A131-P858 HydrophobicContact CB-CB 4.21Å; A131-P858 WeakPolarHBondContact CB-O 3.33Å; A131-F859 HydrophobicContact CB-CD1 3.93Å; A131-F859 HydrophobicContact CB-CE1 3.84Å
132I98.3Very high96.4Very high5 Ų513.3 Ų13.33%0.0267%0.073CC..Hα-helixtrans-63.3-46.1175.8-63.2165000110.4F105 V128 E129 R134 W135 H136 L595 E597 F792 F794F105-I132 HydrophobicContact CE1-CG2 4.12Å; F105-I132 HydrophobicContact CE2-CG2 4Å; F105-I132 HydrophobicContact CZ-CG2 3.47Å; F105-I132 VanDerWaalsContact CZ-CG2 3.47Å; V128-I132 HydrophobicContact CG1-CD1 3.83Å; V128-I132 VanDerWaalsContact O-CG1 3.31Å; V128-I132 WeakPolarHBondContact O-CG1 3.34Å; V128-I132 PolarHBondContact O-N 3.09Å; E129-I132 PolarHBondContact O-N 3.24Å; I132-R134 PolarHBondContact O-N 3.37Å; I132-W135 PolarHBondContact O-N 2.92Å; I132-H136 PolarHBondContact O-CD2 2.98Å; I132-H136 PolarHBondContact O-N 3.48Å; I132-L595 HydrophobicContact CD1-CD2 3.75Å; I132-L595 HydrophobicContact CG2-CD2 4Å; I132-E597 HydrophobicContact CD1-CG 4.47Å; I132-F792 HydrophobicContact CD1-CD1 4.25Å; I132-F792 HydrophobicContact CD1-CE1 4.06Å; I132-F794 HydrophobicContact CD1-CE1 4.32Å; I132-F794 HydrophobicContact CD1-CZ 3.73Å; I132-F794 HydrophobicContact CG1-CE1 3.76Å; I132-F794 HydrophobicContact CG1-CZ 3.7Å
133T98.3Very high96.5Very high0 Ų010.8 Ų10.80%06%0.061CC..Hα-helixtrans-59.4-48.7179.7-610000111.1M107 E129 D130 H136 R137 T143 W145M107-T133 VanDerWaalsContact CE-OG1 3.31Å; M107-T133 WeakPolarHBondContact CE-OG1 3.34Å; E129-T133 VanDerWaalsContact O-CB 3.27Å; E129-T133 WeakPolarHBondContact O-CB 3.3Å; E129-T133 PolarHBondContact O-N 3.32Å; E129-T133 PolarHBondContact O-OG1 2.9Å; D130-T133 PolarHBondContact O-N 2.97Å; T133-H136 PolarHBondContact O-N 3.43Å; T133-R137 WeakPolarHBondContact O-CB 2.97Å; T133-R137 PolarHBondContact O-N 3.37Å; T133-T143 HydrophobicContact CG2-CG2 3.49Å; T133-T143 VanDerWaalsContact CG2-CG2 3.49Å; T133-T143 WeakPolarHBondContact O-CG2 3.49Å; T133-W145 HydrophobicContact CG2-CB 3.74Å; T133-W145 HydrophobicContact CG2-CE3 4.23Å
134R98Very high96.5Very high0 Ų010.8 Ų10.80%06%0.061CC..Hα-helixtrans-62.3-44.5176.6-73.2177.7-175.6-87.8-1.9111.4D130 I132 H136 R137 M138 G203 H857 P858 C888D130-R134 WeakPolarHBondContact O-CB 3.28Å; D130-R134 VanDerWaalsContact O-CG 3.29Å; D130-R134 WeakPolarHBondContact O-CG 3.41Å; D130-R134 PolarHBondContact O-N 3.29Å; D130-R134 IonicContact OD1-NE 3.65Å; D130-R134 PolarHBondContact OD1-NE 3.48Å; D130-R134 IonicContact OD2-CZ 2.73Å; D130-R134 IonicContact OD2-NE 3.82Å; D130-R134 PolarHBondContact OD2-NE 3.23Å; D130-R134 IonicContact OD2-NH2 3.35Å; I132-R134 PolarHBondContact O-N 3.37Å; R134-H136 PolarHBondContact O-N 3.25Å; R134-R137 PolarHBondContact O-N 3.32Å; R134-M138 WeakPolarHBondContact O-CB 3.2Å; R134-M138 WeakPolarHBondContact O-CG 3.23Å; R134-M138 PolarHBondContact O-N 3.06Å; R134-G203 PolarHBondContact NH2-O 2.92Å; R134-H857 PolarHBondContact NH1-NE2 2.86Å; R134-P858 HydrophobicContact CB-CB 4.21Å; R134-P858 HydrophobicContact CB-CG 4.42Å; R134-C888 PolarHBondContact NH1-SG 3.48Å; R134-C888 VanDerWaalsContact NH1-SG 3.43Å
135W97.8Very high96.6Very high24 Ų2410.8 Ų10.89%0.0916%0.061CC..Hα-helixtrans-61.7-41.4178.6-179.677.8000112.5A131 I132 N139 N786 F789 I790 P858 Y892A131-W135 WeakPolarHBondContact O-CB 3.31Å; A131-W135 PolarHBondContact O-N 3.38Å; I132-W135 PolarHBondContact O-N 2.92Å; W135-N139 VanDerWaalsContact CZ2-ND2 3.33Å; W135-N139 WeakPolarHBondContact CZ2-ND2 3.41Å; W135-N139 PolarHBondContact NE1-ND2 3.42Å; W135-N139 WeakPolarHBondContact O-CB 3.4Å; W135-N139 PolarHBondContact O-N 2.84Å; W135-N139 PolarHBondContact O-ND2 2.87Å; W135-N786 PolarHBondContact NE1-OD1 2.89Å; W135-F789 HydrophobicContact CB-CD1 3.8Å; W135-F789 HydrophobicContact CB-CD2 4.32Å; W135-F789 HydrophobicContact CB-CE1 3.8Å; W135-F789 HydrophobicContact CB-CE2 4.31Å; W135-F789 HydrophobicContact CB-CG 4.09Å; W135-F789 HydrophobicContact CB-CZ 4.07Å; W135-F789 AromaticContact CD1-CD2 3.43Å; W135-F789 VanDerWaalsContact CD1-CD2 3.43Å; W135-F789 AromaticContact CD1-CE2 3.85Å; W135-F789 AromaticContact CD1-CG 3.72Å; W135-F789 HydrophobicContact CD2-CB 3.6Å; W135-F789 HydrophobicContact CD2-CD1 4.08Å; W135-F789 HydrophobicContact CD2-CD2 4.24Å; W135-F789 AromaticContact CD2-CG 3.72Å; W135-F789 HydrophobicContact CD2-CG 3.72Å; W135-F789 AromaticContact CE2-CG 3.95Å; W135-F789 HydrophobicContact CE3-CB 3.98Å; W135-F789 HydrophobicContact CE3-CD1 4.47Å; W135-F789 HydrophobicContact CE3-CG 4.36Å; W135-F789 HydrophobicContact CG-CB 4.02Å; W135-F789 AromaticContact CG-CD1 3.79Å; W135-F789 HydrophobicContact CG-CD1 3.79Å; W135-F789 AromaticContact CG-CD2 3.75Å; W135-F789 HydrophobicContact CG-CD2 3.75Å; W135-F789 HydrophobicContact CG-CE1 4.19Å; W135-F789 HydrophobicContact CG-CE2 4.16Å; W135-F789 AromaticContact CG-CG 3.57Å; W135-F789 HydrophobicContact CG-CG 3.57Å; W135-F789 HydrophobicContact CG-CZ 4.37Å; W135-F789 HydrophobicContact CH2-CB 4.23Å; W135-F789 HydrophobicContact CZ2-CB 3.89Å; W135-F789 HydrophobicContact CZ3-CB 4.26Å; W135-F789 AromaticContact NE1-CD2 3.74Å; W135-F789 AromaticContact NE1-CG 3.93Å; W135-I790 HydrophobicContact CH2-CG1 3.84Å; W135-I790 HydrophobicContact CZ2-CG1 4.12Å; W135-P858 HydrophobicContact CB-CG 4.45Å; W135-Y892 AromaticContact CD1-CD1 3.73Å; W135-Y892 AromaticContact CD1-CE1 3.65Å; W135-Y892 AromaticContact CD1-CG 3.99Å; W135-Y892 AromaticContact CD1-CZ 3.83Å; W135-Y892 AromaticContact NE1-CD1 3.65Å; W135-Y892 AromaticContact NE1-CE1 3.64Å
136H96.6Very high96.7Very high26 Ų2610 Ų1012%0.126%0.056CC..Hα-helixtrans-66.7-42.6174.3-81.8-58.6000113.1F105 I132 T133 R134 N139 G140 K141F105-H136 HydrophobicContact CB-CB 3.8Å; F105-H136 HydrophobicContact CD1-CB 4.04Å; F105-H136 AromaticContact CD1-CD2 3.83Å; F105-H136 HydrophobicContact CD2-CB 4.42Å; F105-H136 AromaticContact CD2-CD2 3.14Å; F105-H136 WeakPolarHBondContact CD2-CD2 3.44Å; F105-H136 AromaticContact CD2-CG 3.72Å; F105-H136 AromaticContact CD2-NE2 3.39Å; F105-H136 WeakPolarHBondContact CD2-NE2 3.09Å; F105-H136 AromaticContact CE1-CD2 3.98Å; F105-H136 AromaticContact CE2-CD2 3.32Å; F105-H136 WeakPolarHBondContact CE2-CD2 3.46Å; F105-H136 AromaticContact CE2-NE2 3.5Å; F105-H136 WeakPolarHBondContact CE2-NE2 3.29Å; F105-H136 HydrophobicContact CG-CB 3.82Å; F105-H136 AromaticContact CG-CD2 3.41Å; F105-H136 VanDerWaalsContact CG-CD2 3.41Å; F105-H136 WeakPolarHBondContact CG-CD2 3.27Å; F105-H136 AromaticContact CG-CG 3.62Å; F105-H136 AromaticContact CZ-CD2 3.74Å; I132-H136 PolarHBondContact O-CD2 2.98Å; I132-H136 PolarHBondContact O-N 3.48Å; T133-H136 PolarHBondContact O-N 3.43Å; R134-H136 PolarHBondContact O-N 3.25Å; H136-N139 CarbonylContact O-C 3.55Å; H136-N139 PolarHBondContact O-N 2.84Å; H136-N139 VanDerWaalsContact O-N 3.12Å; H136-G140 PolarHBondContact O-N 2.87Å; H136-K141 PolarHBondContact O-N 3.21Å
137R95.9Very high96.7Very high3 Ų39.9 Ų9.91%0.0116%0.056CC..Hα-helixtrans-59.6-47.5175.7-170.9-176.3-64112.9-4.4111.4F92 Q98 T133 R134 N139 G140 T143 S205 C888F92-R137 PolarHBondContact O-NE 3.43Å; Q98-R137 PolarHBondContact NE2-O 2.98Å; T133-R137 WeakPolarHBondContact O-CB 2.97Å; T133-R137 PolarHBondContact O-N 3.37Å; R134-R137 PolarHBondContact O-N 3.32Å; R137-N139 PolarHBondContact O-N 2.83Å; R137-G140 PolarHBondContact O-N 3.08Å; R137-T143 VanDerWaalsContact CA-OG1 3.29Å; R137-T143 WeakPolarHBondContact CA-OG1 3.49Å; R137-T143 HydrophobicContact CB-CG2 4.15Å; R137-T143 PolarHBondContact N-OG1 3.37Å; R137-S205 PolarHBondContact NH1-OG 3.43Å; R137-S205 PolarHBondContact NH2-O 3.36Å; R137-S205 PolarHBondContact NH2-OG 2.94Å; R137-C888 WeakPolarHBondContact CD-O 3.24Å
138M95Very high96.6Very high3 Ų39.9 Ų9.92%0.0156%0.056CC..Hα-helixtrans-68.5-18.9177.6-65.1175.280.300112.6R134 R854 H857 P858 K890 S891 Y892R134-M138 WeakPolarHBondContact O-CB 3.2Å; R134-M138 WeakPolarHBondContact O-CG 3.23Å; R134-M138 PolarHBondContact O-N 3.06Å; M138-R854 HydrophobicContact CE-CB 4.18Å; M138-H857 HydrophobicContact CE-CB 4.24Å; M138-H857 HydrophobicContact SD-CB 4.32Å; M138-P858 HydrophobicContact SD-CG 4.11Å; M138-K890 WeakPolarHBondContact CB-O 3.28Å; M138-K890 WeakPolarHBondContact CE-O 3.4Å; M138-K890 WeakPolarHBondContact CG-O 3.46Å; M138-S891 CarbonylContact O-C 3.51Å; M138-S891 VanDerWaalsContact O-CA 3.26Å; M138-S891 WeakPolarHBondContact O-CA 3.39Å; M138-Y892 HydrophobicContact CB-CD2 4.29Å; M138-Y892 HydrophobicContact CB-CG 4.5Å; M138-Y892 HydrophobicContact CE-CD2 3.76Å; M138-Y892 PolarHBondContact O-N 3.17Å; M138-Y892 HydrophobicContact SD-CD2 3.87Å
139N93.4Very high96.5Very high41 Ų419.9 Ų9.922%0.2196%0.056CC..THydrogen-bonded Turntrans-85.37.3169.6-80.9-44.4000113.6W135 H136 R137W135-N139 VanDerWaalsContact CZ2-ND2 3.33Å; W135-N139 WeakPolarHBondContact CZ2-ND2 3.41Å; W135-N139 PolarHBondContact NE1-ND2 3.42Å; W135-N139 WeakPolarHBondContact O-CB 3.4Å; W135-N139 PolarHBondContact O-N 2.84Å; W135-N139 PolarHBondContact O-ND2 2.87Å; H136-N139 CarbonylContact O-C 3.55Å; H136-N139 PolarHBondContact O-N 2.84Å; H136-N139 VanDerWaalsContact O-N 3.12Å; R137-N139 PolarHBondContact O-N 2.83Å
140G91.4Very high96.4Very high35 Ų3510.1 Ų10.136%0.3616%0.057SC..THydrogen-bonded Turntrans79.718.2174.300000114.6S101 H136 R137S101-G140 WeakPolarHBondContact CB-O 3.35Å; S101-G140 PolarHBondContact OG-O 2.9Å; H136-G140 PolarHBondContact O-N 2.87Å; R137-G140 PolarHBondContact O-N 3.08Å
141K93.8Very high96.2Very high59 Ų5910.1 Ų10.126%0.2576%0.057SC..  trans-84.7141.5173.2-60.8-162.7177.6-1650110.7Q98 D103 H136 T143Q98-K141 PolarHBondContact OE1-O 3.4Å; D103-K141 HydrophobicContact CB-CD 4.18Å; D103-K141 HydrophobicContact CB-CG 4.03Å; D103-K141 CarbonylContact O-C 3.54Å; D103-K141 WeakPolarHBondContact O-CA 3.34Å; H136-K141 PolarHBondContact O-N 3.21Å; K141-T143 PolarHBondContact O-N 3.26Å; K141-T143 PolarHBondContact O-OG1 2.86Å
142V94.9Very high95.9Very high12 Ų1210.2 Ų10.27%0.0736%0.058CC..EExtended strand (participates in β ladder)trans-58.9108.3166.7175.90000108.3P95 Q98 S101 D103 K104 F105P95-V142 HydrophobicContact CB-CG1 3.62Å; Q98-V142 HydrophobicContact CB-CG2 4.47Å; Q98-V142 WeakPolarHBondContact O-CG2 3.49Å; S101-V142 WeakPolarHBondContact O-CG2 3.2Å; D103-V142 PolarHBondContact O-N 3.44Å; K104-V142 CarbonylContact C-O 3.57Å; K104-V142 VanDerWaalsContact CA-O 3.32Å; K104-V142 WeakPolarHBondContact CA-O 3.33Å; K104-V142 HydrophobicContact CG-CB 4.16Å; F105-V142 PolarHBondContact N-O 3.07Å
143T96.4Very high95.7Very high0 Ų010.1 Ų10.10%06%0.058CC..EExtended strand (participates in β ladder)trans-112.8125.8-168.9-60.10000110.6F105 T133 R137 K141F105-T143 HydrophobicContact CD1-CG2 3.93Å; F105-T143 CarbonylContact O-C 3.52Å; F105-T143 WeakPolarHBondContact O-CA 3.43Å; T133-T143 HydrophobicContact CG2-CG2 3.49Å; T133-T143 VanDerWaalsContact CG2-CG2 3.49Å; T133-T143 WeakPolarHBondContact O-CG2 3.49Å; R137-T143 VanDerWaalsContact CA-OG1 3.29Å; R137-T143 WeakPolarHBondContact CA-OG1 3.49Å; R137-T143 HydrophobicContact CB-CG2 4.15Å; R137-T143 PolarHBondContact N-OG1 3.37Å; K141-T143 PolarHBondContact O-N 3.26Å; K141-T143 PolarHBondContact O-OG1 2.86Å
144L97Very high95.2Very high0 Ų010.8 Ų10.80%06%0.061CC..EExtended strand (participates in β ladder)trans-129.2119.7175.2176.759.5000110.6P95 F105 V106 M107 V146 D207 F578 Y590P95-L144 HydrophobicContact CB-CB 4.25Å; P95-L144 HydrophobicContact CG-CB 4.16Å; P95-L144 HydrophobicContact CG-CD1 4.02Å; P95-L144 HydrophobicContact CG-CD2 4.43Å; P95-L144 HydrophobicContact CG-CG 4.43Å; F105-L144 PolarHBondContact O-N 2.96Å; V106-L144 WeakPolarHBondContact CA-O 3.33Å; V106-L144 HydrophobicContact CG1-CB 4.49Å; V106-L144 HydrophobicContact CG1-CD2 4.42Å; V106-L144 HydrophobicContact CG2-CB 4.4Å; M107-L144 PolarHBondContact N-O 3.48Å; L144-V146 HydrophobicContact CD1-CG2 4.02Å; L144-V146 HydrophobicContact CD2-CG2 4.02Å; L144-V146 HydrophobicContact CG-CG2 3.75Å; L144-D207 HydrophobicContact CD1-CB 3.81Å; L144-F578 HydrophobicContact CD2-CE1 3.69Å; L144-F578 HydrophobicContact CD2-CZ 4.29Å; L144-Y590 HydrophobicContact CD2-CD1 3.77Å; L144-Y590 HydrophobicContact CD2-CD2 3.56Å; L144-Y590 HydrophobicContact CD2-CE1 4.1Å; L144-Y590 HydrophobicContact CD2-CE2 3.91Å; L144-Y590 HydrophobicContact CD2-CG 3.5Å; L144-Y590 VanDerWaalsContact CD2-CG 3.5Å
145W98.1Very high94.8Very high0 Ų011.5 Ų11.50%07%0.067CC..EExtended strand (participates in β ladder)trans-119.2113.3169.7179.331.7000109.9M107 I109 N126 E129 D130 T133 C206 D207M107-W145 HydrophobicContact CE-CD2 4.27Å; M107-W145 HydrophobicContact CE-CG 4Å; M107-W145 VanDerWaalsContact O-CA 3.32Å; M107-W145 WeakPolarHBondContact O-CA 3.34Å; I109-W145 HydrophobicContact CD1-CZ2 4.35Å; N126-W145 WeakPolarHBondContact ND2-CH2 3.49Å; E129-W145 HydrophobicContact CB-CH2 3.9Å; E129-W145 HydrophobicContact CB-CZ2 3.38Å; E129-W145 HydrophobicContact CG-CZ2 4.27Å; E129-W145 VanDerWaalsContact OE2-CZ2 3.28Å; E129-W145 WeakPolarHBondContact OE2-CZ2 3.23Å; D130-W145 HydrophobicContact CB-CE3 4.45Å; D130-W145 HydrophobicContact CB-CH2 3.72Å; D130-W145 HydrophobicContact CB-CZ3 3.45Å; D130-W145 VanDerWaalsContact CB-CZ3 3.45Å; D130-W145 VanDerWaalsContact OD1-CZ3 3.32Å; D130-W145 WeakPolarHBondContact OD1-CZ3 3.25Å; T133-W145 HydrophobicContact CG2-CB 3.74Å; T133-W145 HydrophobicContact CG2-CE3 4.23Å; W145-C206 HydrophobicContact CE3-CB 4.35Å; W145-C206 WeakPolarHBondContact CZ3-SG 2.98Å; W145-C206 WeakPolarHBondContact O-CA 3.1Å; W145-D207 PolarHBondContact O-N 3.49Å
146V97.9Very high94.5Very high0 Ų010.3 Ų10.30%06%0.063CC..EExtended strand (participates in β ladder)trans-94.9120.8-169.2-167.40000111M107 V108 I109 L144 R210 V577 F578M107-V146 PolarHBondContact O-N 2.91Å; V108-V146 HydrophobicContact CG1-CB 4.16Å; V108-V146 HydrophobicContact CG1-CG2 4.25Å; I109-V146 WeakPolarHBondContact CG2-O 3.45Å; I109-V146 PolarHBondContact N-O 3Å; L144-V146 HydrophobicContact CD1-CG2 4.02Å; L144-V146 HydrophobicContact CD2-CG2 4.02Å; L144-V146 HydrophobicContact CG-CG2 3.75Å; V146-R210 HydrophobicContact CG1-CB 3.99Å; V146-V577 HydrophobicContact CG1-CB 4.46Å; V146-V577 HydrophobicContact CG1-CG1 4.17Å; V146-V577 HydrophobicContact CG1-CG2 3.47Å; V146-V577 VanDerWaalsContact CG1-CG2 3.47Å; V146-F578 HydrophobicContact CG2-CE1 3.75Å; V146-F578 HydrophobicContact CG2-CZ 3.97Å
147P97Very high94.4Very high0 Ų09.1 Ų9.10%06%0.057CC..  trans-83.9162.9175.633.5-30.3000111.9C206 D207 W208 A211 R212P147-C206 HydrophobicContact CB-CB 3.87Å; P147-C206 HydrophobicContact CG-CB 3.78Å; P147-D207 WeakPolarHBondContact CD-O 3.37Å; P147-D207 WeakPolarHBondContact CG-O 3.41Å; P147-W208 HydrophobicContact CB-CE3 4.29Å; P147-W208 HydrophobicContact CB-CZ3 4.07Å; P147-W208 HydrophobicContact CG-CD2 4.45Å; P147-W208 HydrophobicContact CG-CE3 3.99Å; P147-W208 HydrophobicContact CG-CZ3 4.3Å; P147-A211 HydrophobicContact CG-CB 3.92Å; P147-A211 WeakPolarHBondContact O-CA 3.45Å; P147-R212 PolarHBondContact O-N 3.17Å
148G95.2Very high94.1Very high0 Ų09.7 Ų9.70%06%0.061CC..EExtended strand (participates in β ladder)trans-179.4176.2172.500000112.6P112 R212P112-G148 WeakPolarHBondContact CD-O 3.5Å; G148-R212 CarbonylContact C-O 3.5Å; G148-R212 WeakPolarHBondContact CA-O 3.11Å
149C95.5Very high93.8Very high0 Ų011.1 Ų11.10%07%0.07CC..EExtended strand (participates in β ladder)trans-137152173.859.90000112.4P112 V114 Y196 R212 F213 T214P112-C149 WeakPolarHBondContact O-CA 3.44Å; V114-C149 HydrophobicContact CG1-CB 3.99Å; C149-Y196 HydrophobicContact CB-CE1 4.23Å; C149-Y196 PolarHBondContact SG-OH 2.87Å; C149-R212 PolarHBondContact N-O 3.05Å; C149-F213 HydrophobicContact CB-CD2 4.48Å; C149-F213 WeakPolarHBondContact O-CA 3.28Å; C149-F213 VanDerWaalsContact O-CD2 3.28Å; C149-F213 WeakPolarHBondContact O-CD2 3.33Å; C149-F213 WeakPolarHBondContact SG-CD2 3.33Å; C149-T214 PolarHBondContact O-N 3.47Å; C149-T214 VanDerWaalsContact O-N 3.09Å
150D95.7Very high93.7Very high4 Ų49.4 Ų9.42%0.0216%0.061CC..BIsolated β-bridgetrans-104.1137.5-174.1-16575.6000111.4P111 P112 V114 A152 T214 T566 S570P111-D150 HydrophobicContact CB-CB 4.14Å; P111-D150 HydrophobicContact CG-CB 4.11Å; P111-D150 WeakPolarHBondContact O-CB 3.21Å; P112-D150 PolarHBondContact O-N 3.07Å; V114-D150 WeakPolarHBondContact CG2-O 3.4Å; V114-D150 PolarHBondContact N-O 3.19Å; D150-A152 PolarHBondContact O-N 2.81Å; D150-A152 WeakPolarHBondContact OD2-CA 3.5Å; D150-A152 PolarHBondContact OD2-N 2.9Å; D150-T214 WeakPolarHBondContact CA-OG1 3.1Å; D150-T214 WeakPolarHBondContact OD1-CG2 3.38Å; D150-T214 PolarHBondContact OD1-OG1 2.91Å; D150-T566 PolarHBondContact OD2-OG1 3.23Å; D150-S570 WeakPolarHBondContact OD1-CB 3.47Å; D150-S570 PolarHBondContact OD1-OG 3.5Å
151H95.3Very high93.8Very high0 Ų09.6 Ų9.60%05%0.052CC..  trans-67.2-23178.374.8-75000112.2G153 T156 F213 T214 M215 W501 T566 S569H151-G153 PolarHBondContact CD2-N 3.23Å; H151-G153 VanDerWaalsContact CD2-N 3.25Å; H151-G153 PolarHBondContact NE2-N 2.8Å; H151-G153 PolarHBondContact O-N 3.44Å; H151-G153 VanDerWaalsContact O-N 3.12Å; H151-T156 WeakPolarHBondContact O-CB 3.33Å; H151-T156 PolarHBondContact O-OG1 3.36Å; H151-F213 VanDerWaalsContact CA-CE2 3.47Å; H151-F213 HydrophobicContact CB-CE1 4.37Å; H151-F213 HydrophobicContact CB-CE2 3.76Å; H151-F213 HydrophobicContact CB-CZ 3.42Å; H151-F213 VanDerWaalsContact CB-CZ 3.42Å; H151-T214 PolarHBondContact N-OG1 3.2Å; H151-T214 PolarHBondContact ND1-OG1 2.96Å; H151-T214 VanDerWaalsContact ND1-OG1 3.15Å; H151-M215 HydrophobicContact CB-CG 3.78Å; H151-M215 HydrophobicContact CB-SD 3.57Å; H151-M215 VanDerWaalsContact CB-SD 3.57Å; H151-W501 HydrophobicContact CB-CZ2 4.13Å; H151-W501 PolarHBondContact O-NE1 3.48Å; H151-T566 PolarHBondContact CE1-OG1 3.04Å; H151-T566 PolarHBondContact NE2-OG1 3.44Å; H151-S569 PolarHBondContact CE1-OG 2.76Å
152A92.9Very high93.5Very high2 Ų211.2 Ų11.22%0.0176%0.059CC..  trans57.421.4172.400000115.7N113 T115 D150 I154 A155 T156 T566N113-A152 HydrophobicContact CB-CB 3.53Å; N113-A152 VanDerWaalsContact CG-CB 3.46Å; T115-A152 HydrophobicContact CG2-CB 4.25Å; D150-A152 PolarHBondContact O-N 2.81Å; D150-A152 WeakPolarHBondContact OD2-CA 3.5Å; D150-A152 PolarHBondContact OD2-N 2.9Å; A152-I154 PolarHBondContact O-N 3.44Å; A152-I154 VanDerWaalsContact O-N 3.1Å; A152-A155 HydrophobicContact CB-CB 4.24Å; A152-A155 WeakPolarHBondContact O-CB 3.38Å; A152-A155 PolarHBondContact O-N 2.87Å; A152-T156 PolarHBondContact O-N 3.27Å; A152-T566 VanDerWaalsContact CA-OG1 3.28Å; A152-T566 WeakPolarHBondContact CA-OG1 3.42Å; A152-T566 PolarHBondContact N-OG1 3.24Å
153G92.5Very high93.3Very high3 Ų312 Ų123%0.0316%0.062CC..Hα-helixtrans28.7-109.1178.700000114.5H151 A155 T156 Q157 T566H151-G153 PolarHBondContact CD2-N 3.23Å; H151-G153 VanDerWaalsContact CD2-N 3.25Å; H151-G153 PolarHBondContact NE2-N 2.8Å; H151-G153 PolarHBondContact O-N 3.44Å; H151-G153 VanDerWaalsContact O-N 3.12Å; G153-A155 VanDerWaalsContact C-N 3.28Å; G153-A155 PolarHBondContact O-N 3.46Å; G153-T156 PolarHBondContact O-N 3.34Å; G153-Q157 PolarHBondContact O-N 2.92Å; G153-T566 PolarHBondContact N-OG1 3.38Å
154I89.6Confident93.1Very high14 Ų1412.4 Ų12.47%0.0726%0.064CC..Hα-helixtrans-55.9-35.9-177.9-160.6169.8000114.1A152 Q157 V158 L249 I253 E257 L499A152-I154 PolarHBondContact O-N 3.44Å; A152-I154 VanDerWaalsContact O-N 3.1Å; I154-Q157 PolarHBondContact O-N 2.95Å; I154-V158 HydrophobicContact CG1-CG2 4.29Å; I154-V158 WeakPolarHBondContact O-CB 3.32Å; I154-V158 WeakPolarHBondContact O-CG2 3.39Å; I154-V158 PolarHBondContact O-N 2.84Å; I154-L249 HydrophobicContact CD1-CD1 3.68Å; I154-L249 HydrophobicContact CG1-CD1 4.22Å; I154-I253 HydrophobicContact CD1-CG2 3.94Å; I154-E257 WeakPolarHBondContact CG2-OE1 3.2Å; I154-L499 HydrophobicContact CB-CD1 3.63Å; I154-L499 HydrophobicContact CD1-CD1 4.47Å; I154-L499 HydrophobicContact CG1-CD1 3.99Å; I154-L499 HydrophobicContact CG1-CD2 4.27Å
155A88.7Confident92.8Very high15 Ų1518.8 Ų18.812%0.1249%0.088CC..Hα-helixtrans-69.9-42.9-176.400000111.5T115 A152 G153 V159T115-A155 HydrophobicContact CG2-CB 3.77Å; A152-A155 HydrophobicContact CB-CB 4.24Å; A152-A155 WeakPolarHBondContact O-CB 3.38Å; A152-A155 PolarHBondContact O-N 2.87Å; G153-A155 VanDerWaalsContact C-N 3.28Å; G153-A155 PolarHBondContact O-N 3.46Å; A155-V159 WeakPolarHBondContact O-CG2 3.33Å; A155-V159 PolarHBondContact O-N 3.1Å
156T92.4Very high92.2Very high0 Ų024 Ų240%011%0.108CC..Hα-helixtrans-67-46.2174.2-62.30000110.3V114 H151 A152 G153 V158 V159 V160 V184V114-T156 HydrophobicContact CG2-CG2 4Å; H151-T156 WeakPolarHBondContact O-CB 3.33Å; H151-T156 PolarHBondContact O-OG1 3.36Å; A152-T156 PolarHBondContact O-N 3.27Å; G153-T156 PolarHBondContact O-N 3.34Å; T156-V158 PolarHBondContact O-N 3.14Å; T156-V159 PolarHBondContact O-N 3.43Å; T156-V159 VanDerWaalsContact O-N 3.13Å; T156-V160 HydrophobicContact CG2-CG2 4.41Å; T156-V160 WeakPolarHBondContact O-CG2 3.43Å; T156-V160 PolarHBondContact O-N 2.85Å; T156-V184 HydrophobicContact CG2-CG1 3.9Å
157Q92.9Very high91.8Very high1 Ų129.2 Ų29.21%0.00513%0.132CC..Hα-helixtrans-58.3-46.4-177.7-158.2178.6-70.800112.2G153 I154 V159 V160 E161 F180 W501G153-Q157 PolarHBondContact O-N 2.92Å; I154-Q157 PolarHBondContact O-N 2.95Å; Q157-V159 VanDerWaalsContact C-N 3.31Å; Q157-V159 PolarHBondContact O-N 3.06Å; Q157-V160 PolarHBondContact O-N 3.18Å; Q157-E161 PolarHBondContact NE2-OE1 3.26Å; Q157-E161 WeakPolarHBondContact O-CG 3.23Å; Q157-E161 PolarHBondContact O-N 3.04Å; Q157-F180 HydrophobicContact CG-CE1 3.52Å; Q157-F180 HydrophobicContact CG-CZ 3.43Å; Q157-F180 VanDerWaalsContact CG-CZ 3.43Å; Q157-W501 HydrophobicContact CB-CB 4.24Å; Q157-W501 HydrophobicContact CG-CB 4.2Å
158V89.7Confident91.6Very high15 Ų1534.1 Ų34.19%0.09115%0.154CC..Hα-helixtrans-61.6-37178.5167.80000112.3I154 T156 K162 L249I154-V158 HydrophobicContact CG1-CG2 4.29Å; I154-V158 WeakPolarHBondContact O-CB 3.32Å; I154-V158 WeakPolarHBondContact O-CG2 3.39Å; I154-V158 PolarHBondContact O-N 2.84Å; T156-V158 PolarHBondContact O-N 3.14Å; V158-K162 HydrophobicContact CG1-CD 4.22Å; V158-K162 WeakPolarHBondContact O-CB 3.5Å; V158-K162 VanDerWaalsContact O-CG 3.28Å; V158-K162 WeakPolarHBondContact O-CG 3.3Å; V158-K162 PolarHBondContact O-N 3.3Å; V158-L249 HydrophobicContact CG2-CD2 3.68Å
159V89Confident91.4Very high33 Ų3340.5 Ų40.520%0.218%0.181CC..Hα-helixtrans-70.8-39.6178.6176.10000111.1A155 T156 Q157 K162 K163 W187A155-V159 WeakPolarHBondContact O-CG2 3.33Å; A155-V159 PolarHBondContact O-N 3.1Å; T156-V159 PolarHBondContact O-N 3.43Å; T156-V159 VanDerWaalsContact O-N 3.13Å; Q157-V159 VanDerWaalsContact C-N 3.31Å; Q157-V159 PolarHBondContact O-N 3.06Å; V159-K162 PolarHBondContact O-N 3.34Å; V159-K163 PolarHBondContact O-N 3.49Å; V159-W187 HydrophobicContact CB-CZ2 4.33Å; V159-W187 HydrophobicContact CG1-CH2 3.31Å; V159-W187 HydrophobicContact CG1-CZ2 3.32Å; V159-W187 HydrophobicContact CG1-CZ3 4.13Å
160V92.4Very high91.3Very high4 Ų443.4 Ų43.42%0.02420%0.196CC..Hα-helixtrans-67.2-43.1176.3177.30000111.3T156 Q157 K162 K163 L164 F180 E183 V184 W187T156-V160 HydrophobicContact CG2-CG2 4.41Å; T156-V160 WeakPolarHBondContact O-CG2 3.43Å; T156-V160 PolarHBondContact O-N 2.85Å; Q157-V160 PolarHBondContact O-N 3.18Å; V160-K162 VanDerWaalsContact C-N 3.33Å; V160-K162 PolarHBondContact O-N 3.45Å; V160-K163 WeakPolarHBondContact O-CB 3.13Å; V160-K163 PolarHBondContact O-N 3.23Å; V160-L164 WeakPolarHBondContact O-CB 3.39Å; V160-L164 PolarHBondContact O-N 3.17Å; V160-F180 HydrophobicContact CG1-CE2 4.1Å; V160-F180 HydrophobicContact CG1-CZ 4.4Å; V160-E183 HydrophobicContact CG1-CB 4.31Å; V160-V184 HydrophobicContact CB-CG2 4.14Å; V160-V184 HydrophobicContact CG1-CG2 3.83Å; V160-V184 HydrophobicContact CG2-CG1 4.31Å; V160-V184 HydrophobicContact CG2-CG2 4.19Å; V160-W187 HydrophobicContact CG2-CB 3.78Å; V160-W187 HydrophobicContact CG2-CD2 3.88Å; V160-W187 HydrophobicContact CG2-CE3 4.37Å; V160-W187 HydrophobicContact CG2-CG 3.59Å
161E92.3Very high91.1Very high39 Ų3945.6 Ų45.618%0.18221%0.21CC..Hα-helixtrans-60-42.3174.8-74.5175.3-159.100111.9Q157 L164 W165 R172 F180Q157-E161 PolarHBondContact NE2-OE1 3.26Å; Q157-E161 WeakPolarHBondContact O-CG 3.23Å; Q157-E161 PolarHBondContact O-N 3.04Å; E161-L164 PolarHBondContact O-N 2.9Å; E161-W165 WeakPolarHBondContact O-CB 3.5Å; E161-W165 PolarHBondContact O-N 3.48Å; E161-R172 HydrophobicContact CG-CB 4.47Å; E161-R172 VanDerWaalsContact OE1-CD 3.29Å; E161-R172 WeakPolarHBondContact OE1-CD 3.25Å; E161-R172 IonicContact OE1-CZ 2.6Å; E161-R172 IonicContact OE1-NE 3.9Å; E161-R172 IonicContact OE1-NH1 2.69Å; E161-R172 PolarHBondContact OE1-NH1 3.03Å; E161-R172 IonicContact OE2-NH1 3.36Å; E161-F180 HydrophobicContact CG-CE2 3.66Å; E161-F180 HydrophobicContact CG-CZ 3.76Å
162K88.5Confident91Very high94 Ų9446.2 Ų46.241%0.40921%0.212SC..Hα-helixtrans-62.9-42175.1-76.4176.5-178.8-1800112.1V158 V159 V160 R166 N670V158-K162 HydrophobicContact CG1-CD 4.22Å; V158-K162 WeakPolarHBondContact O-CB 3.5Å; V158-K162 VanDerWaalsContact O-CG 3.28Å; V158-K162 WeakPolarHBondContact O-CG 3.3Å; V158-K162 PolarHBondContact O-N 3.3Å; V159-K162 PolarHBondContact O-N 3.34Å; V160-K162 VanDerWaalsContact C-N 3.33Å; V160-K162 PolarHBondContact O-N 3.45Å; K162-R166 VanDerWaalsContact O-CB 3.3Å; K162-R166 WeakPolarHBondContact O-CB 3.46Å; K162-R166 PolarHBondContact O-N 3.43Å; K162-N670 HydrophobicContact CD-CB 4.46Å
163K89.3Confident90.9Very high29 Ų2950.4 Ų50.413%0.12623%0.231CC..Hα-helixtrans-60.4-49.2174.6-176.9-167.6175.4-172.40110.5V159 V160 W165 R166 E167 W187V159-K163 PolarHBondContact O-N 3.49Å; V160-K163 WeakPolarHBondContact O-CB 3.13Å; V160-K163 PolarHBondContact O-N 3.23Å; K163-W165 PolarHBondContact O-N 3.42Å; K163-R166 PolarHBondContact O-N 3.38Å; K163-E167 WeakPolarHBondContact CE-OE1 3.32Å; K163-E167 VanDerWaalsContact CE-OE2 3.23Å; K163-E167 WeakPolarHBondContact CE-OE2 3.29Å; K163-E167 HydrophobicContact CG-CG 4.43Å; K163-E167 VanDerWaalsContact CG-OE1 3.25Å; K163-E167 WeakPolarHBondContact CG-OE1 3.49Å; K163-E167 WeakPolarHBondContact O-CB 3.41Å; K163-E167 PolarHBondContact O-N 3.41Å; K163-W187 HydrophobicContact CD-CE3 3.85Å; K163-W187 HydrophobicContact CD-CZ3 3.87Å
164L92.5Very high91Very high8 Ų855.1 Ų55.14%0.04226%0.256CS..Hα-helixtrans-59.8-44.8-179.9-174.568.2000111.8V160 E161 K168 K169 L170 I175 F180V160-L164 WeakPolarHBondContact O-CB 3.39Å; V160-L164 PolarHBondContact O-N 3.17Å; E161-L164 PolarHBondContact O-N 2.9Å; L164-K168 HydrophobicContact CD1-CB 4.36Å; L164-K168 HydrophobicContact CD1-CD 3.82Å; L164-K168 HydrophobicContact CD1-CG 4.29Å; L164-K168 WeakPolarHBondContact O-CA 3.01Å; L164-K168 PolarHBondContact O-N 2.75Å; L164-K169 PolarHBondContact O-N 3.25Å; L164-L170 HydrophobicContact CD2-CB 4.34Å; L164-L170 HydrophobicContact CG-CB 4.19Å; L164-L170 WeakPolarHBondContact CG-O 3.48Å; L164-I175 HydrophobicContact CD2-CD1 3.7Å; L164-I175 HydrophobicContact CD2-CG1 4.38Å; L164-F180 HydrophobicContact CD2-CD2 4.45Å
165W90.3Very high91.2Very high134 Ų13456.5 Ų56.551%0.50826%0.263SS..Hα-helixtrans-65.4-38.5176.1-175.9-104.9000112.6E161 K163 K169 T171E161-W165 WeakPolarHBondContact O-CB 3.5Å; E161-W165 PolarHBondContact O-N 3.48Å; K163-W165 PolarHBondContact O-N 3.42Å; W165-K169 WeakPolarHBondContact CZ3-O 3.18Å; W165-K169 VanDerWaalsContact O-CA 3.26Å; W165-K169 WeakPolarHBondContact O-CA 3.31Å; W165-K169 WeakPolarHBondContact O-CD 3.28Å; W165-K169 PolarHBondContact O-N 3.26Å; W165-K169 VanDerWaalsContact O-N 3.09Å; W165-T171 HydrophobicContact CE3-CG2 4.05Å; W165-T171 HydrophobicContact CZ3-CG2 3.9Å
166R86.4Confident91.4Very high109 Ų10957.2 Ų57.241%0.41127%0.272SS..Hα-helixtrans-67-44.8178.2-177178.364.6-1743.7112K162 K163 Q668 G669 N670K162-R166 VanDerWaalsContact O-CB 3.3Å; K162-R166 WeakPolarHBondContact O-CB 3.46Å; K162-R166 PolarHBondContact O-N 3.43Å; K163-R166 PolarHBondContact O-N 3.38Å; R166-Q668 PolarHBondContact NH1-O 2.89Å; R166-G669 PolarHBondContact NH1-O 3.28Å; R166-G669 VanDerWaalsContact NH1-O 3.16Å; R166-N670 PolarHBondContact NH1-OD1 2.89Å
167E90.3Very high91.5Very high109 Ų10959.7 Ų59.751%0.50928%0.281SS..Hα-helixtrans-85.8-39.3-173.2-69.6173.3-16900113.1K163K163-E167 WeakPolarHBondContact CE-OE1 3.32Å; K163-E167 VanDerWaalsContact CE-OE2 3.23Å; K163-E167 WeakPolarHBondContact CE-OE2 3.29Å; K163-E167 HydrophobicContact CG-CG 4.43Å; K163-E167 VanDerWaalsContact CG-OE1 3.25Å; K163-E167 WeakPolarHBondContact CG-OE1 3.49Å; K163-E167 WeakPolarHBondContact O-CB 3.41Å; K163-E167 PolarHBondContact O-N 3.41Å
168K92.1Very high91.6Very high104 Ų10465.5 Ų65.545%0.45231%0.312SS..Hα-helixtrans-120.9-8.3-171.9-53.6-172.2-164.6169.40114.4L164 L170 E183L164-K168 HydrophobicContact CD1-CB 4.36Å; L164-K168 HydrophobicContact CD1-CD 3.82Å; L164-K168 HydrophobicContact CD1-CG 4.29Å; L164-K168 WeakPolarHBondContact O-CA 3.01Å; L164-K168 PolarHBondContact O-N 2.75Å; K168-L170 HydrophobicContact CB-CB 4.4Å; K168-L170 HydrophobicContact CB-CD1 4.06Å; K168-L170 HydrophobicContact CB-CG 4.09Å; K168-L170 HydrophobicContact CD-CD1 4.45Å; K168-L170 PolarHBondContact O-N 2.87Å; K168-E183 IonicContact NZ-OE1 2.73Å; K168-E183 PolarHBondContact NZ-OE1 2.85Å
169K91.8Very high91.9Very high133 Ų13369.1 Ų69.158%0.57833%0.328SS*.  trans55.830.9-172.5-58.4-72.2169.7-167.40113.4L164 W165L164-K169 PolarHBondContact O-N 3.25Å; W165-K169 WeakPolarHBondContact CZ3-O 3.18Å; W165-K169 VanDerWaalsContact O-CA 3.26Å; W165-K169 WeakPolarHBondContact O-CA 3.31Å; W165-K169 WeakPolarHBondContact O-CD 3.28Å; W165-K169 PolarHBondContact O-N 3.26Å; W165-K169 VanDerWaalsContact O-N 3.09Å
170L93.7Very high92.2Very high61 Ų6167.6 Ų67.632%0.31932%0.319SS..  trans-110.2146.7177.2-63.8174.6000110.4L164 K168 D174 I175L164-L170 HydrophobicContact CD2-CB 4.34Å; L164-L170 HydrophobicContact CG-CB 4.19Å; L164-L170 WeakPolarHBondContact CG-O 3.48Å; K168-L170 HydrophobicContact CB-CB 4.4Å; K168-L170 HydrophobicContact CB-CD1 4.06Å; K168-L170 HydrophobicContact CB-CG 4.09Å; K168-L170 HydrophobicContact CD-CD1 4.45Å; K168-L170 PolarHBondContact O-N 2.87Å; L170-D174 HydrophobicContact CB-CB 4.43Å; L170-D174 HydrophobicContact CD2-CB 3.97Å; L170-I175 HydrophobicContact CB-CG2 4.3Å; L170-I175 HydrophobicContact CD1-CG2 3.74Å
171T91.1Very high92.4Very high51 Ų5169 Ų6931%0.31333%0.325SS..  trans-94.7165.8168.773.10000110.1W165 H173 D174W165-T171 HydrophobicContact CE3-CG2 4.05Å; W165-T171 HydrophobicContact CZ3-CG2 3.9Å; T171-H173 PolarHBondContact O-N 3.22Å; T171-H173 PolarHBondContact OG1-N 3.36Å; T171-D174 WeakPolarHBondContact CA-OD2 3.31Å; T171-D174 WeakPolarHBondContact CB-OD2 3.48Å; T171-D174 WeakPolarHBondContact CG2-OD2 3.3Å; T171-D174 PolarHBondContact N-OD2 3.44Å; T171-D174 PolarHBondContact O-N 3.4Å; T171-D174 VanDerWaalsContact O-N 3.16Å; T171-D174 VanDerWaalsContact OG1-CG 3.23Å; T171-D174 PolarHBondContact OG1-N 2.87Å; T171-D174 PolarHBondContact OG1-OD2 2.79Å
172R92.1Very high92.6Very high12 Ų1273.1 Ų73.15%0.04534%0.343CS..Hα-helixtrans-56.3-32.2171.869172.6179.2-136.214111.9E161 D174 G176 F180 L249 W500E161-R172 HydrophobicContact CG-CB 4.47Å; E161-R172 VanDerWaalsContact OE1-CD 3.29Å; E161-R172 WeakPolarHBondContact OE1-CD 3.25Å; E161-R172 IonicContact OE1-CZ 2.6Å; E161-R172 IonicContact OE1-NE 3.9Å; E161-R172 IonicContact OE1-NH1 2.69Å; E161-R172 PolarHBondContact OE1-NH1 3.03Å; E161-R172 IonicContact OE2-NH1 3.36Å; R172-D174 VanDerWaalsContact C-N 3.35Å; R172-G176 PolarHBondContact O-N 2.85Å; R172-G176 VanDerWaalsContact O-N 3.09Å; R172-F180 HydrophobicContact CB-CB 4.43Å; R172-F180 HydrophobicContact CB-CD1 4.32Å; R172-F180 HydrophobicContact CB-CD2 3.51Å; R172-F180 HydrophobicContact CB-CE2 3.78Å; R172-F180 HydrophobicContact CB-CG 3.81Å; R172-F180 HydrophobicContact CB-CZ 4.29Å; R172-L249 PolarHBondContact NH1-O 2.92Å; R172-L249 PolarHBondContact NH2-O 2.85Å; R172-W500 HydrophobicContact CB-CE3 4.02Å; R172-W500 HydrophobicContact CB-CH2 4.26Å; R172-W500 HydrophobicContact CB-CZ3 3.58Å; R172-W500 HydrophobicContact CG-CE3 4.23Å; R172-W500 HydrophobicContact CG-CH2 4.08Å; R172-W500 HydrophobicContact CG-CZ3 3.82Å; R172-W500 WeakPolarHBondContact O-CH2 3.36Å; R172-W500 WeakPolarHBondContact O-CZ3 3.42Å
173H91.2Very high92.9Very high90 Ų9070.6 Ų70.642%0.41733%0.332SS..Hα-helixtrans-71.9-29.6-178.1-63.5-68.2000112.5T171 W500T171-H173 PolarHBondContact O-N 3.22Å; T171-H173 PolarHBondContact OG1-N 3.36Å; H173-W500 AromaticContact ND1-CH2 3.92Å; H173-W500 AromaticContact ND1-CZ2 3.89Å
174D93.7Very high93.2Very high102 Ų10269.2 Ų69.255%0.54533%0.326SS..Hα-helixtrans-73-29.9179.7-56-47.4000112.6L170 T171 R172L170-D174 HydrophobicContact CB-CB 4.43Å; L170-D174 HydrophobicContact CD2-CB 3.97Å; T171-D174 WeakPolarHBondContact CA-OD2 3.31Å; T171-D174 WeakPolarHBondContact CB-OD2 3.48Å; T171-D174 WeakPolarHBondContact CG2-OD2 3.3Å; T171-D174 PolarHBondContact N-OD2 3.44Å; T171-D174 PolarHBondContact O-N 3.4Å; T171-D174 VanDerWaalsContact O-N 3.16Å; T171-D174 VanDerWaalsContact OG1-CG 3.23Å; T171-D174 PolarHBondContact OG1-N 2.87Å; T171-D174 PolarHBondContact OG1-OD2 2.79Å; R172-D174 VanDerWaalsContact C-N 3.35Å
175I94.7Very high93.3Very high44 Ų4473 Ų7323%0.22634%0.34CS..Hα-helixtrans-100.1-14.1-178.664.5170.9000113.9L164 L170 E179 F180L164-I175 HydrophobicContact CD2-CD1 3.7Å; L164-I175 HydrophobicContact CD2-CG1 4.38Å; L170-I175 HydrophobicContact CB-CG2 4.3Å; L170-I175 HydrophobicContact CD1-CG2 3.74Å; I175-E179 HydrophobicContact CB-CB 4.16Å; I175-E179 HydrophobicContact CD1-CB 4.3Å; I175-E179 HydrophobicContact CG1-CB 4.42Å; I175-F180 HydrophobicContact CD1-CB 3.83Å; I175-F180 HydrophobicContact CD1-CD2 4.18Å; I175-F180 HydrophobicContact CG1-CB 4.1Å
176G94Very high93.5Very high29 Ų2972.3 Ų72.330%0.29934%0.341SS..Hα-helixtrans77.9171.2-176.700000114.1R172 F180R172-G176 PolarHBondContact O-N 2.85Å; R172-G176 VanDerWaalsContact O-N 3.09Å; G176-F180 VanDerWaalsContact O-CB 3.23Å; G176-F180 WeakPolarHBondContact O-CB 3.43Å; G176-F180 PolarHBondContact O-N 3.39Å; G176-F180 VanDerWaalsContact O-N 3.13Å
177R92.9Very high93.8Very high52 Ų5268.2 Ų68.220%0.19633%0.325CS..Hα-helixtrans-63.4-49.1-170.7-174.5173-174.2137.78.4112.7F180 M181 W500 N561R177-F180 PolarHBondContact O-N 3.16Å; R177-M181 HydrophobicContact CG-CG 4.29Å; R177-M181 VanDerWaalsContact O-CG 3.24Å; R177-M181 WeakPolarHBondContact O-CG 3.48Å; R177-M181 PolarHBondContact O-N 2.96Å; R177-W500 HydrophobicContact CB-CD2 4.13Å; R177-W500 HydrophobicContact CB-CE3 4.14Å; R177-W500 HydrophobicContact CB-CZ3 4.38Å; R177-W500 HydrophobicContact CG-CB 4.17Å; R177-W500 HydrophobicContact CG-CD2 4.03Å; R177-W500 HydrophobicContact CG-CE3 4.29Å; R177-W500 HydrophobicContact CG-CG 3.97Å; R177-W500 PolarHBondContact NH2-O 3.32Å; R177-N561 PolarHBondContact NH1-O 3.49Å
178D94.8Very high93.9Very high123 Ų12364.6 Ų64.666%0.65831%0.308SS*.Hα-helixtrans-67.5-44.5-171.1-61.6-28.5000112.3M181 K182D178-M181 PolarHBondContact O-N 3.39Å; D178-K182 WeakPolarHBondContact O-CG 3.28Å; D178-K182 PolarHBondContact O-N 3.2Å; D178-K182 VanDerWaalsContact O-N 3.09Å
179E96.1Very high94Very high92 Ų9265 Ų6543%0.4331%0.311SS..Hα-helixtrans-66.5-38.1175.2-66.1-54.6122.300111.9I175 M181 K182 E183I175-E179 HydrophobicContact CB-CB 4.16Å; I175-E179 HydrophobicContact CD1-CB 4.3Å; I175-E179 HydrophobicContact CG1-CB 4.42Å; E179-M181 PolarHBondContact O-N 2.86Å; E179-K182 PolarHBondContact O-N 3.41Å; E179-K182 IonicContact OE1-NZ 2.77Å; E179-K182 PolarHBondContact OE1-NZ 2.93Å; E179-K182 IonicContact OE2-NZ 2.71Å; E179-E183 PolarHBondContact O-N 3.41Å; E179-E183 VanDerWaalsContact O-N 3.16Å
180F96.3Very high93.8Very high0 Ų063.2 Ų63.20%031%0.305CS..Hα-helixtrans-62.8-42.5173.8-178-100.7000111.9Q157 V160 E161 L164 R172 I175 G176 R177 K182 E183 V184 W500Q157-F180 HydrophobicContact CG-CE1 3.52Å; Q157-F180 HydrophobicContact CG-CZ 3.43Å; Q157-F180 VanDerWaalsContact CG-CZ 3.43Å; V160-F180 HydrophobicContact CG1-CE2 4.1Å; V160-F180 HydrophobicContact CG1-CZ 4.4Å; E161-F180 HydrophobicContact CG-CE2 3.66Å; E161-F180 HydrophobicContact CG-CZ 3.76Å; L164-F180 HydrophobicContact CD2-CD2 4.45Å; R172-F180 HydrophobicContact CB-CB 4.43Å; R172-F180 HydrophobicContact CB-CD1 4.32Å; R172-F180 HydrophobicContact CB-CD2 3.51Å; R172-F180 HydrophobicContact CB-CE2 3.78Å; R172-F180 HydrophobicContact CB-CG 3.81Å; R172-F180 HydrophobicContact CB-CZ 4.29Å; I175-F180 HydrophobicContact CD1-CB 3.83Å; I175-F180 HydrophobicContact CD1-CD2 4.18Å; I175-F180 HydrophobicContact CG1-CB 4.1Å; G176-F180 VanDerWaalsContact O-CB 3.23Å; G176-F180 WeakPolarHBondContact O-CB 3.43Å; G176-F180 PolarHBondContact O-N 3.39Å; G176-F180 VanDerWaalsContact O-N 3.13Å; R177-F180 PolarHBondContact O-N 3.16Å; F180-K182 VanDerWaalsContact C-N 3.3Å; F180-K182 PolarHBondContact O-N 2.85Å; F180-E183 PolarHBondContact O-N 3.42Å; F180-E183 VanDerWaalsContact O-N 3.16Å; F180-V184 HydrophobicContact CD1-CG2 4.05Å; F180-V184 HydrophobicContact CE1-CG2 3.57Å; F180-V184 HydrophobicContact CE2-CG2 4.33Å; F180-V184 HydrophobicContact CZ-CG2 3.72Å; F180-V184 WeakPolarHBondContact O-CG2 3.5Å; F180-V184 PolarHBondContact O-N 3.02Å; F180-W500 HydrophobicContact CB-CE3 3.95Å; F180-W500 HydrophobicContact CB-CZ3 4.02Å; F180-W500 HydrophobicContact CD1-CB 4.34Å; F180-W500 AromaticContact CD1-CE3 3.71Å; F180-W500 HydrophobicContact CD1-CE3 3.71Å; F180-W500 HydrophobicContact CD1-CZ3 4.47Å; F180-W500 AromaticContact CG-CE3 3.99Å; F180-W500 HydrophobicContact CG-CE3 3.99Å; F180-W500 HydrophobicContact CG-CZ3 4.31Å
181M95.7Very high93.6Very high33 Ų3361.8 Ų61.816%0.16330%0.296CS..Hα-helixtrans-61.4-37.6176.4-72.3-59.6-64.900112.3R177 D178 E179 V184 W185 W500 W501R177-M181 HydrophobicContact CG-CG 4.29Å; R177-M181 VanDerWaalsContact O-CG 3.24Å; R177-M181 WeakPolarHBondContact O-CG 3.48Å; R177-M181 PolarHBondContact O-N 2.96Å; D178-M181 PolarHBondContact O-N 3.39Å; E179-M181 PolarHBondContact O-N 2.86Å; M181-V184 PolarHBondContact O-N 3.28Å; M181-W185 VanDerWaalsContact O-CD1 3.25Å; M181-W185 PolarHBondContact O-N 3.41Å; M181-W500 HydrophobicContact SD-CB 4.36Å; M181-W501 HydrophobicContact CE-CE3 3.41Å; M181-W501 VanDerWaalsContact CE-CE3 3.41Å; M181-W501 HydrophobicContact CE-CZ3 3.72Å; M181-W501 HydrophobicContact SD-CE3 3.97Å
182K96.3Very high93.4Very high127 Ų12759.4 Ų59.455%0.55228%0.282SS*.Hα-helixtrans-61.2-43.1173.4-69.6173.5-174.7169.10112D178 E179 F180 V184 W185 K186D178-K182 WeakPolarHBondContact O-CG 3.28Å; D178-K182 PolarHBondContact O-N 3.2Å; D178-K182 VanDerWaalsContact O-N 3.09Å; E179-K182 PolarHBondContact O-N 3.41Å; E179-K182 IonicContact OE1-NZ 2.77Å; E179-K182 PolarHBondContact OE1-NZ 2.93Å; E179-K182 IonicContact OE2-NZ 2.71Å; F180-K182 VanDerWaalsContact C-N 3.3Å; F180-K182 PolarHBondContact O-N 2.85Å; K182-V184 VanDerWaalsContact C-N 3.33Å; K182-V184 PolarHBondContact O-N 2.97Å; K182-W185 PolarHBondContact O-N 2.8Å; K182-K186 WeakPolarHBondContact O-CB 3.1Å; K182-K186 PolarHBondContact O-N 2.99Å
183E95.3Very high93.2Very high40 Ų4063 Ų6319%0.18730%0.302CS..Hα-helixtrans-64.2-36.5176.5-70.8-72177.900112.2V160 K168 E179 F180 W187V160-E183 HydrophobicContact CG1-CB 4.31Å; K168-E183 IonicContact NZ-OE1 2.73Å; K168-E183 PolarHBondContact NZ-OE1 2.85Å; E179-E183 PolarHBondContact O-N 3.41Å; E179-E183 VanDerWaalsContact O-N 3.16Å; F180-E183 PolarHBondContact O-N 3.42Å; F180-E183 VanDerWaalsContact O-N 3.16Å; E183-W187 WeakPolarHBondContact O-CB 3.31Å; E183-W187 PolarHBondContact O-N 3.48Å
184V95.4Very high93.3Very high0 Ų062.9 Ų62.90%030%0.298CS..Hα-helixtrans-71.9-39.4176.6-172.90000112T156 V160 F180 M181 K182 W187 K188 W501T156-V184 HydrophobicContact CG2-CG1 3.9Å; V160-V184 HydrophobicContact CB-CG2 4.14Å; V160-V184 HydrophobicContact CG1-CG2 3.83Å; V160-V184 HydrophobicContact CG2-CG1 4.31Å; V160-V184 HydrophobicContact CG2-CG2 4.19Å; F180-V184 HydrophobicContact CD1-CG2 4.05Å; F180-V184 HydrophobicContact CE1-CG2 3.57Å; F180-V184 HydrophobicContact CE2-CG2 4.33Å; F180-V184 HydrophobicContact CZ-CG2 3.72Å; F180-V184 WeakPolarHBondContact O-CG2 3.5Å; F180-V184 PolarHBondContact O-N 3.02Å; M181-V184 PolarHBondContact O-N 3.28Å; K182-V184 VanDerWaalsContact C-N 3.33Å; K182-V184 PolarHBondContact O-N 2.97Å; V184-W187 WeakPolarHBondContact O-CB 3.49Å; V184-W187 PolarHBondContact O-N 3.25Å; V184-K188 PolarHBondContact O-N 3.43Å; V184-W501 HydrophobicContact CB-CD2 4.15Å; V184-W501 HydrophobicContact CB-CE3 3.78Å; V184-W501 HydrophobicContact CB-CZ3 4.07Å; V184-W501 HydrophobicContact CG1-CB 4.43Å; V184-W501 HydrophobicContact CG1-CD2 3.25Å; V184-W501 VanDerWaalsContact CG1-CE2 3.48Å; V184-W501 HydrophobicContact CG1-CE3 3.34Å; V184-W501 HydrophobicContact CG1-CG 3.75Å; V184-W501 HydrophobicContact CG1-CH2 3.9Å; V184-W501 HydrophobicContact CG1-CZ2 3.78Å; V184-W501 HydrophobicContact CG1-CZ3 3.69Å
185W95.1Very high93.4Very high89 Ų8958 Ų5834%0.33727%0.272SS..Hα-helixtrans-63.6-44174.1-84.4113.6000112.3M181 K182 W187 K188 E189 F213 M215 W501M181-W185 VanDerWaalsContact O-CD1 3.25Å; M181-W185 PolarHBondContact O-N 3.41Å; K182-W185 PolarHBondContact O-N 2.8Å; W185-W187 VanDerWaalsContact C-N 3.25Å; W185-W187 PolarHBondContact O-N 3.06Å; W185-K188 HydrophobicContact CE3-CB 4.42Å; W185-K188 HydrophobicContact CE3-CD 4.1Å; W185-K188 HydrophobicContact CE3-CG 4.45Å; W185-K188 HydrophobicContact CZ3-CD 4Å; W185-K188 HydrophobicContact CZ3-CG 4.46Å; W185-K188 WeakPolarHBondContact O-CB 3.38Å; W185-K188 PolarHBondContact O-N 3.4Å; W185-E189 WeakPolarHBondContact O-CG 3.49Å; W185-E189 PolarHBondContact O-N 3.06Å; W185-F213 HydrophobicContact CH2-CD1 4.13Å; W185-F213 AromaticContact CH2-CE1 3.76Å; W185-F213 HydrophobicContact CH2-CE1 3.76Å; W185-F213 HydrophobicContact CZ3-CD1 4.08Å; W185-F213 AromaticContact CZ3-CE1 3.75Å; W185-F213 HydrophobicContact CZ3-CE1 3.75Å; W185-M215 HydrophobicContact CH2-CB 4.41Å; W185-W501 AromaticContact CD1-CZ3 4Å; W185-W501 AromaticContact CD2-CH2 3.92Å; W185-W501 HydrophobicContact CD2-CH2 3.92Å; W185-W501 HydrophobicContact CD2-CZ3 4.02Å; W185-W501 AromaticContact CE2-CH2 3.9Å; W185-W501 AromaticContact CE2-CZ3 3.77Å; W185-W501 HydrophobicContact CE3-CH2 4.17Å; W185-W501 HydrophobicContact CG-CH2 4.4Å; W185-W501 HydrophobicContact CG-CZ3 4.17Å; W185-W501 HydrophobicContact CH2-CH2 4.39Å; W185-W501 HydrophobicContact CZ2-CH2 4.14Å; W185-W501 HydrophobicContact CZ2-CZ3 4.26Å; W185-W501 HydrophobicContact CZ3-CH2 4.4Å; W185-W501 AromaticContact NE1-CZ3 3.75Å
186K94.2Very high93.4Very high119 Ų11957.4 Ų57.452%0.51727%0.267SS..Hα-helixtrans-56.4-41.3172.6-178.5-179.8179.1179.70111.8K182 E190K182-K186 WeakPolarHBondContact O-CB 3.1Å; K182-K186 PolarHBondContact O-N 2.99Å; K186-E190 PolarHBondContact O-N 2.86Å; K186-E190 VanDerWaalsContact O-N 3.15Å
187W93.5Very high93.4Very high23 Ų2362.1 Ų62.19%0.08728%0.281CS..Hα-helixtrans-64.7-42.9174.5173.7-80.8000112.3V114 V159 V160 K163 E183 V184 W185 E189 E190 K191V114-W187 PolarHBondContact O-NE1 2.99Å; V159-W187 HydrophobicContact CB-CZ2 4.33Å; V159-W187 HydrophobicContact CG1-CH2 3.31Å; V159-W187 HydrophobicContact CG1-CZ2 3.32Å; V159-W187 HydrophobicContact CG1-CZ3 4.13Å; V160-W187 HydrophobicContact CG2-CB 3.78Å; V160-W187 HydrophobicContact CG2-CD2 3.88Å; V160-W187 HydrophobicContact CG2-CE3 4.37Å; V160-W187 HydrophobicContact CG2-CG 3.59Å; K163-W187 HydrophobicContact CD-CE3 3.85Å; K163-W187 HydrophobicContact CD-CZ3 3.87Å; E183-W187 WeakPolarHBondContact O-CB 3.31Å; E183-W187 PolarHBondContact O-N 3.48Å; V184-W187 WeakPolarHBondContact O-CB 3.49Å; V184-W187 PolarHBondContact O-N 3.25Å; W185-W187 VanDerWaalsContact C-N 3.25Å; W185-W187 PolarHBondContact O-N 3.06Å; W187-E189 VanDerWaalsContact C-N 3.34Å; W187-E189 PolarHBondContact O-N 3.35Å; W187-E190 PolarHBondContact O-N 2.98Å; W187-K191 HydrophobicContact CD2-CG 3.95Å; W187-K191 HydrophobicContact CG-CG 4.32Å; W187-K191 HydrophobicContact CH2-CG 4.37Å; W187-K191 HydrophobicContact CZ2-CD 4.4Å; W187-K191 HydrophobicContact CZ2-CG 3.75Å; W187-K191 WeakPolarHBondContact O-CB 3.3Å; W187-K191 WeakPolarHBondContact O-CG 3.2Å; W187-K191 PolarHBondContact O-N 3.48Å
188K93.2Very high93.6Very high33 Ų3359.9 Ų59.914%0.14327%0.273CS..Hα-helixtrans-59.8-43.5176.5177.9-88175.1-174.70111.3V114 V184 W185 G192 F213V114-K188 HydrophobicContact CG1-CG 4.45Å; V184-K188 PolarHBondContact O-N 3.43Å; W185-K188 HydrophobicContact CE3-CB 4.42Å; W185-K188 HydrophobicContact CE3-CD 4.1Å; W185-K188 HydrophobicContact CE3-CG 4.45Å; W185-K188 HydrophobicContact CZ3-CD 4Å; W185-K188 HydrophobicContact CZ3-CG 4.46Å; W185-K188 WeakPolarHBondContact O-CB 3.38Å; W185-K188 PolarHBondContact O-N 3.4Å; K188-G192 VanDerWaalsContact O-CA 3.22Å; K188-G192 WeakPolarHBondContact O-CA 3.44Å; K188-G192 PolarHBondContact O-N 3.05Å; K188-F213 HydrophobicContact CD-CD1 4.39Å; K188-F213 HydrophobicContact CD-CE1 4.3Å; K188-F213 HydrophobicContact CG-CD1 4.47Å; K188-F213 HydrophobicContact CG-CE1 3.98Å; K188-F213 HydrophobicContact CG-CE2 4.05Å; K188-F213 HydrophobicContact CG-CZ 3.77Å
189E92.3Very high93.7Very high111 Ų11154.1 Ų54.152%0.51924%0.242SC..Hα-helixtrans-61.6-52.8178.2-70.9168.8-179.100110.2W185 W187 K191 D193W185-E189 WeakPolarHBondContact O-CG 3.49Å; W185-E189 PolarHBondContact O-N 3.06Å; W187-E189 VanDerWaalsContact C-N 3.34Å; W187-E189 PolarHBondContact O-N 3.35Å; E189-K191 PolarHBondContact O-N 2.78Å; E189-D193 WeakPolarHBondContact O-CB 3.48Å; E189-D193 VanDerWaalsContact O-CG 3.23Å; E189-D193 PolarHBondContact O-N 3.32Å
190E88.8Confident93.8Very high97 Ų9753 Ų5345%0.45323%0.234SC..Hα-helixtrans-60.8-45.4-179.5-168.7-163.4138.600113.2K186 W187K186-E190 PolarHBondContact O-N 2.86Å; K186-E190 VanDerWaalsContact O-N 3.15Å; W187-E190 PolarHBondContact O-N 2.98Å
191K89Confident93.8Very high31 Ų3154.7 Ų54.714%0.13525%0.248CC..Hα-helixtrans-87.4-34.6-174.8-59.3-46.2-176-163.20113.3W187 E189 R194 I195W187-K191 HydrophobicContact CD2-CG 3.95Å; W187-K191 HydrophobicContact CG-CG 4.32Å; W187-K191 HydrophobicContact CH2-CG 4.37Å; W187-K191 HydrophobicContact CZ2-CD 4.4Å; W187-K191 HydrophobicContact CZ2-CG 3.75Å; W187-K191 WeakPolarHBondContact O-CB 3.3Å; W187-K191 WeakPolarHBondContact O-CG 3.2Å; W187-K191 PolarHBondContact O-N 3.48Å; E189-K191 PolarHBondContact O-N 2.78Å; K191-R194 PolarHBondContact O-N 3.06Å; K191-I195 WeakPolarHBondContact O-CG1 3.08Å; K191-I195 PolarHBondContact O-N 3.28Å
192G87.4Confident93.9Very high1 Ų153.2 Ų53.21%0.0124%0.241CC..Hα-helixtrans-63.6-45.2177.300000111.6K188 R194 I195 Y196K188-G192 VanDerWaalsContact O-CA 3.22Å; K188-G192 WeakPolarHBondContact O-CA 3.44Å; K188-G192 PolarHBondContact O-N 3.05Å; G192-R194 VanDerWaalsContact C-N 3.32Å; G192-R194 PolarHBondContact O-N 2.85Å; G192-I195 WeakPolarHBondContact O-CB 3.36Å; G192-I195 PolarHBondContact O-N 2.86Å; G192-Y196 PolarHBondContact O-N 3.39Å; G192-Y196 VanDerWaalsContact O-N 3.14Å
193D88.7Confident93.9Very high88 Ų8847.1 Ų47.147%0.47121%0.214SC..Hα-helixtrans-65.2-39.3178.2-68-8.8000111.2E189 I195 Y196 Q197E189-D193 WeakPolarHBondContact O-CB 3.48Å; E189-D193 VanDerWaalsContact O-CG 3.23Å; E189-D193 PolarHBondContact O-N 3.32Å; D193-I195 PolarHBondContact O-N 3.49Å; D193-Y196 PolarHBondContact O-N 2.96Å; D193-Q197 WeakPolarHBondContact O-CG 3.45Å; D193-Q197 PolarHBondContact O-N 2.96Å
194R92.4Very high94.1Very high87 Ų8745.2 Ų45.233%0.32821%0.205SC..Hα-helixtrans-62.9-40.6174.2-175.8168.4175.5176.8-4.2112.4K191 G192 Y196 Q197 Q198 D649K191-R194 PolarHBondContact O-N 3.06Å; G192-R194 VanDerWaalsContact C-N 3.32Å; G192-R194 PolarHBondContact O-N 2.85Å; R194-Y196 VanDerWaalsContact C-N 3.31Å; R194-Y196 PolarHBondContact O-N 2.9Å; R194-Q197 PolarHBondContact O-N 3.43Å; R194-Q198 HydrophobicContact CG-CG 4.45Å; R194-Q198 WeakPolarHBondContact O-CG 3.43Å; R194-Q198 PolarHBondContact O-N 3.28Å; R194-D649 IonicContact NH2-OD2 3.93Å; R194-D649 PolarHBondContact NH2-OD2 2.9Å; R194-D649 VanDerWaalsContact NH2-OD2 3.13Å
195I94.8Very high94.2Very high0 Ų045.2 Ų45.20%021%0.205CC..Hα-helixtrans-58-46.8175-74.7164.6000110P112 V114 L118 K191 G192 D193 Q197 Q198 L199P112-I195 HydrophobicContact CB-CD1 4.46Å; P112-I195 HydrophobicContact CB-CG2 4.06Å; P112-I195 HydrophobicContact CG-CG2 4.09Å; V114-I195 HydrophobicContact CG1-CD1 4.37Å; L118-I195 HydrophobicContact CD1-CG2 4.29Å; L118-I195 HydrophobicContact CD2-CG1 4.06Å; L118-I195 HydrophobicContact CD2-CG2 4.1Å; L118-I195 HydrophobicContact CG-CG1 4.26Å; L118-I195 HydrophobicContact CG-CG2 4.33Å; K191-I195 WeakPolarHBondContact O-CG1 3.08Å; K191-I195 PolarHBondContact O-N 3.28Å; G192-I195 WeakPolarHBondContact O-CB 3.36Å; G192-I195 PolarHBondContact O-N 2.86Å; D193-I195 PolarHBondContact O-N 3.49Å; I195-Q197 VanDerWaalsContact C-N 3.35Å; I195-Q197 PolarHBondContact O-N 3.43Å; I195-Q198 PolarHBondContact O-N 2.94Å; I195-L199 HydrophobicContact CG2-CD1 4.32Å; I195-L199 WeakPolarHBondContact O-CG 3.24Å; I195-L199 PolarHBondContact O-N 2.86Å
196Y95.3Very high94.2Very high31 Ų3141 Ų4112%0.12219%0.189CC..Hα-helixtrans-64.2-38.3177.8-65.1-22.1000112.5C149 G192 D193 R194 L199 R200 W208C149-Y196 HydrophobicContact CB-CE1 4.23Å; C149-Y196 PolarHBondContact SG-OH 2.87Å; G192-Y196 PolarHBondContact O-N 3.39Å; G192-Y196 VanDerWaalsContact O-N 3.14Å; D193-Y196 PolarHBondContact O-N 2.96Å; R194-Y196 VanDerWaalsContact C-N 3.31Å; R194-Y196 PolarHBondContact O-N 2.9Å; Y196-L199 HydrophobicContact CD1-CD1 4.43Å; Y196-L199 PolarHBondContact O-N 3.38Å; Y196-R200 WeakPolarHBondContact O-CG 3.4Å; Y196-R200 PolarHBondContact O-N 2.96Å; Y196-W208 AromaticContact CD1-CZ3 3.82Å; Y196-W208 HydrophobicContact CD1-CZ3 3.82Å; Y196-W208 HydrophobicContact CE1-CZ3 4.5Å; Y196-W208 AromaticContact CG-CZ3 3.9Å; Y196-W208 HydrophobicContact CG-CZ3 3.9Å
197Q94.9Very high94.4Very high128 Ų12835.5 Ų35.560%0.59817%0.166SC*.Hα-helixtrans-63.1-40.8172.7-70.3171.50.800112.3D193 R194 I195 L199 R200 A201D193-Q197 WeakPolarHBondContact O-CG 3.45Å; D193-Q197 PolarHBondContact O-N 2.96Å; R194-Q197 PolarHBondContact O-N 3.43Å; I195-Q197 VanDerWaalsContact C-N 3.35Å; I195-Q197 PolarHBondContact O-N 3.43Å; Q197-L199 PolarHBondContact O-N 3.24Å; Q197-R200 PolarHBondContact O-N 2.96Å; Q197-A201 WeakPolarHBondContact O-CB 3.41Å; Q197-A201 PolarHBondContact O-N 2.92Å
198Q97Very high94.5Very high4 Ų435.7 Ų35.72%0.01917%0.166CC..Hα-helixtrans-63.5-40.4175.8-70-179.6-76.100111.6L118 R194 I195 A201 L202 D649 V651L118-Q198 HydrophobicContact CD1-CB 3.91Å; L118-Q198 HydrophobicContact CG-CB 4.33Å; R194-Q198 HydrophobicContact CG-CG 4.45Å; R194-Q198 WeakPolarHBondContact O-CG 3.43Å; R194-Q198 PolarHBondContact O-N 3.28Å; I195-Q198 PolarHBondContact O-N 2.94Å; Q198-A201 PolarHBondContact O-N 2.78Å; Q198-L202 WeakPolarHBondContact O-CG 3.39Å; Q198-L202 PolarHBondContact O-N 3.41Å; Q198-D649 PolarHBondContact NE2-OD1 3.32Å; Q198-D649 PolarHBondContact NE2-OD2 3.46Å; Q198-D649 VanDerWaalsContact NE2-OD2 3.09Å; Q198-V651 HydrophobicContact CB-CG2 4.37Å; Q198-V651 HydrophobicContact CG-CG2 3.84Å
199L97.2Very high94.6Very high3 Ų337.3 Ų37.32%0.01618%0.182CC..Hα-helixtrans-65.9-39.1174.9-67.6178.6000112.1I109 L118 N126 I195 Y196 Q197 L202 G203 S204 W208I109-L199 HydrophobicContact CD1-CD1 4.06Å; I109-L199 HydrophobicContact CD1-CD2 4.36Å; L118-L199 HydrophobicContact CD1-CD2 3.73Å; L118-L199 HydrophobicContact CD1-CG 4Å; N126-L199 HydrophobicContact CB-CD2 4.44Å; I195-L199 HydrophobicContact CG2-CD1 4.32Å; I195-L199 WeakPolarHBondContact O-CG 3.24Å; I195-L199 PolarHBondContact O-N 2.86Å; Y196-L199 HydrophobicContact CD1-CD1 4.43Å; Y196-L199 PolarHBondContact O-N 3.38Å; Q197-L199 PolarHBondContact O-N 3.24Å; L199-L202 PolarHBondContact O-N 2.86Å; L199-G203 PolarHBondContact O-N 2.9Å; L199-S204 WeakPolarHBondContact O-CB 3.21Å; L199-S204 PolarHBondContact O-N 3.29Å; L199-S204 PolarHBondContact O-OG 3.05Å; L199-W208 HydrophobicContact CB-CH2 3.86Å; L199-W208 HydrophobicContact CB-CZ2 4.42Å; L199-W208 HydrophobicContact CD1-CH2 4.33Å
200R96.9Very high94.7Very high68 Ų6832.9 Ų32.926%0.25716%0.16SC..Hα-helixtrans-62.9-43.6172-69-168.2164.870.9-5.3111.8Y84 E88 Y196 Q197 L202 G203 W208Y84-R200 HydrophobicContact CD1-CB 4.07Å; Y84-R200 HydrophobicContact CD1-CG 4.23Å; Y84-R200 WeakPolarHBondContact CD2-O 3.38Å; Y84-R200 HydrophobicContact CE1-CB 3.6Å; Y84-R200 HydrophobicContact CE1-CG 3.36Å; Y84-R200 HydrophobicContact CE2-CB 4.44Å; Y84-R200 WeakPolarHBondContact CE2-O 3.26Å; Y84-R200 WeakPolarHBondContact OH-CG 3.32Å; E88-R200 IonicContact OE1-CZ 3.38Å; E88-R200 IonicContact OE1-NE 2.68Å; E88-R200 IonicContact OE1-NH2 3.07Å; E88-R200 PolarHBondContact OE1-NH2 3.3Å; E88-R200 IonicContact OE2-CZ 3.38Å; E88-R200 IonicContact OE2-NE 3.14Å; E88-R200 PolarHBondContact OE2-NE 3.23Å; E88-R200 IonicContact OE2-NH2 3.79Å; Y196-R200 WeakPolarHBondContact O-CG 3.4Å; Y196-R200 PolarHBondContact O-N 2.96Å; Q197-R200 PolarHBondContact O-N 2.96Å; R200-L202 VanDerWaalsContact C-N 3.26Å; R200-L202 PolarHBondContact O-N 3.11Å; R200-G203 WeakPolarHBondContact O-CA 3.44Å; R200-G203 PolarHBondContact O-N 3.2Å; R200-W208 HydrophobicContact CG-CH2 4.12Å; R200-W208 HydrophobicContact CG-CZ2 3.57Å; R200-W208 VanDerWaalsContact CZ-CD2 3.46Å
201A96.5Very high95Very high36 Ų3629.3 Ų29.330%0.29815%0.147SC..Hα-helixtrans-60.8-34.4176.800000112.3Q197 Q198 G203 V651 I654 T696Q197-A201 WeakPolarHBondContact O-CB 3.41Å; Q197-A201 PolarHBondContact O-N 2.92Å; Q198-A201 PolarHBondContact O-N 2.78Å; A201-G203 PolarHBondContact O-N 3.15Å; A201-V651 HydrophobicContact CB-CG2 4.38Å; A201-I654 HydrophobicContact CB-CD1 4.46Å; A201-T696 WeakPolarHBondContact O-CG2 3.28Å; A201-T696 PolarHBondContact O-OG1 3.02Å
202L97.7Very high95.3Very high1 Ų131.4 Ų31.41%0.00515%0.154CC..THydrogen-bonded Turntrans-71.3-4.9172.4-74.8165.4000114A123 N126 Q198 L199 R200 P650 I654 T696 L699 R700A123-L202 HydrophobicContact CB-CD1 4.12Å; A123-L202 HydrophobicContact CB-CD2 4.03Å; N126-L202 HydrophobicContact CB-CD1 4.34Å; N126-L202 WeakPolarHBondContact OD1-CB 3.22Å; Q198-L202 WeakPolarHBondContact O-CG 3.39Å; Q198-L202 PolarHBondContact O-N 3.41Å; L199-L202 PolarHBondContact O-N 2.86Å; R200-L202 VanDerWaalsContact C-N 3.26Å; R200-L202 PolarHBondContact O-N 3.11Å; L202-P650 HydrophobicContact CD1-CG 4.45Å; L202-P650 HydrophobicContact CD2-CB 4.17Å; L202-I654 HydrophobicContact CD2-CD1 4.15Å; L202-T696 VanDerWaalsContact C-CG2 3.48Å; L202-T696 WeakPolarHBondContact O-CG2 3.48Å; L202-L699 HydrophobicContact CD2-CD2 3.96Å; L202-R700 WeakPolarHBondContact O-CD 3.28Å; L202-R700 PolarHBondContact O-NH1 3.01Å
203G97.4Very high95.7Very high0 Ų031.4 Ų31.40%015%0.154CC..THydrogen-bonded Turntrans74.625.9-179.400000114.1R134 L199 R200 A201 S205 R700R134-G203 PolarHBondContact NH2-O 2.92Å; L199-G203 PolarHBondContact O-N 2.9Å; R200-G203 WeakPolarHBondContact O-CA 3.44Å; R200-G203 PolarHBondContact O-N 3.2Å; A201-G203 PolarHBondContact O-N 3.15Å; G203-S205 PolarHBondContact O-N 3.2Å; G203-R700 PolarHBondContact O-NH1 2.88Å
204S97.9Very high96.1Very high0 Ų027.2 Ų27.20%013%0.132CC..  trans-59.2121.7-179.1-49.80000112Y84 N126 L199 C206Y84-S204 WeakPolarHBondContact CE2-O 3.39Å; Y84-S204 PolarHBondContact OH-O 3.16Å; N126-S204 PolarHBondContact ND2-OG 3.02Å; N126-S204 PolarHBondContact OD1-OG 3.5Å; L199-S204 WeakPolarHBondContact O-CB 3.21Å; L199-S204 PolarHBondContact O-N 3.29Å; L199-S204 PolarHBondContact O-OG 3.05Å; S204-C206 PolarHBondContact O-N 3.18Å
205S97.6Very high96.3Very high0 Ų024.3 Ų24.30%012%0.122CC..  trans-82.945.6176.968.40000113.6F93 D130 R137 G203F93-S205 VanDerWaalsContact CE1-CB 3.41Å; D130-S205 WeakPolarHBondContact OD1-CA 3.5Å; D130-S205 WeakPolarHBondContact OD1-CB 3.36Å; D130-S205 PolarHBondContact OD1-N 3.33Å; D130-S205 PolarHBondContact OD1-OG 3.1Å; R137-S205 PolarHBondContact NH1-OG 3.43Å; R137-S205 PolarHBondContact NH2-O 3.36Å; R137-S205 PolarHBondContact NH2-OG 2.94Å; G203-S205 PolarHBondContact O-N 3.2Å
206C96.5Very high96.3Very high0 Ų026.3 Ų26.30%013%0.133CC..  trans-80152.1179.3-56.60000112.4F93 W145 P147 S204 W208F93-C206 WeakPolarHBondContact CB-O 3.26Å; F93-C206 WeakPolarHBondContact CD2-O 3.25Å; W145-C206 HydrophobicContact CE3-CB 4.35Å; W145-C206 WeakPolarHBondContact CZ3-SG 2.98Å; W145-C206 WeakPolarHBondContact O-CA 3.1Å; P147-C206 HydrophobicContact CB-CB 3.87Å; P147-C206 HydrophobicContact CG-CB 3.78Å; S204-C206 PolarHBondContact O-N 3.18Å; C206-W208 HydrophobicContact CB-CZ2 4.46Å; C206-W208 PolarHBondContact O-N 3.5Å; C206-W208 PolarHBondContact O-NE1 2.84Å
207D96.8Very high96.4Very high3 Ų330.4 Ų30.42%0.01616%0.163CC..  trans-83.396.5169.2179.89.8000111.6L144 W145 P147 S209 R210L144-D207 HydrophobicContact CD1-CB 3.81Å; W145-D207 PolarHBondContact O-N 3.49Å; P147-D207 WeakPolarHBondContact CD-O 3.37Å; P147-D207 WeakPolarHBondContact CG-O 3.41Å; D207-S209 VanDerWaalsContact CG-OG 3.28Å; D207-S209 PolarHBondContact O-N 3.24Å; D207-S209 WeakPolarHBondContact OD1-CB 3.15Å; D207-S209 PolarHBondContact OD1-N 3.27Å; D207-S209 PolarHBondContact OD1-OG 3.09Å; D207-S209 PolarHBondContact OD2-OG 3.19Å; D207-R210 PolarHBondContact O-N 3.45Å; D207-R210 WeakPolarHBondContact OD2-CD 3.41Å; D207-R210 IonicContact OD2-CZ 3.49Å; D207-R210 IonicContact OD2-NE 3.77Å; D207-R210 IonicContact OD2-NH1 2.71Å; D207-R210 PolarHBondContact OD2-NH1 3.5Å
208W95.7Very high96.4Very high28 Ų2826.5 Ų26.511%0.10615%0.15CC..G310 helixtrans-63.7-21.4179.8-61.1103.1000114.6Y84 P147 Y196 L199 R200 C206 R210 A211Y84-W208 AromaticContact CZ-NE1 3.8Å; Y84-W208 WeakPolarHBondContact OH-CZ2 3.28Å; Y84-W208 PolarHBondContact OH-NE1 3.38Å; P147-W208 HydrophobicContact CB-CE3 4.29Å; P147-W208 HydrophobicContact CB-CZ3 4.07Å; P147-W208 HydrophobicContact CG-CD2 4.45Å; P147-W208 HydrophobicContact CG-CE3 3.99Å; P147-W208 HydrophobicContact CG-CZ3 4.3Å; Y196-W208 AromaticContact CD1-CZ3 3.82Å; Y196-W208 HydrophobicContact CD1-CZ3 3.82Å; Y196-W208 HydrophobicContact CE1-CZ3 4.5Å; Y196-W208 AromaticContact CG-CZ3 3.9Å; Y196-W208 HydrophobicContact CG-CZ3 3.9Å; L199-W208 HydrophobicContact CB-CH2 3.86Å; L199-W208 HydrophobicContact CB-CZ2 4.42Å; L199-W208 HydrophobicContact CD1-CH2 4.33Å; R200-W208 HydrophobicContact CG-CH2 4.12Å; R200-W208 HydrophobicContact CG-CZ2 3.57Å; R200-W208 VanDerWaalsContact CZ-CD2 3.46Å; C206-W208 HydrophobicContact CB-CZ2 4.46Å; C206-W208 PolarHBondContact O-N 3.5Å; C206-W208 PolarHBondContact O-NE1 2.84Å; W208-R210 PolarHBondContact O-N 3.19Å; W208-A211 WeakPolarHBondContact O-CB 3.32Å; W208-A211 PolarHBondContact O-N 3.27Å
209S95.1Very high96.4Very high66 Ų6626.3 Ų26.346%0.46215%0.149SC..G310 helixtrans-68.2-20.2177.671.90000112.8D207 R212D207-S209 VanDerWaalsContact CG-OG 3.28Å; D207-S209 PolarHBondContact O-N 3.24Å; D207-S209 WeakPolarHBondContact OD1-CB 3.15Å; D207-S209 PolarHBondContact OD1-N 3.27Å; D207-S209 PolarHBondContact OD1-OG 3.09Å; D207-S209 PolarHBondContact OD2-OG 3.19Å; S209-R212 PolarHBondContact O-NH1 2.98Å
210R94.9Very high96.5Very high19 Ų1927.8 Ų27.87%0.07216%0.16CC..G310 helixtrans-104.69.5177.3-66.9177.3170.293.4-3.1113.4E96 V146 D207 W208 R212 D586E96-R210 IonicContact OE1-CZ 3.46Å; E96-R210 IonicContact OE1-NH1 3.34Å; E96-R210 PolarHBondContact OE1-NH1 3.13Å; E96-R210 VanDerWaalsContact OE1-NH1 3.07Å; E96-R210 IonicContact OE1-NH2 3.4Å; E96-R210 PolarHBondContact OE1-NH2 3.34Å; E96-R210 IonicContact OE2-NH1 3.58Å; E96-R210 PolarHBondContact OE2-NH1 2.86Å; V146-R210 HydrophobicContact CG1-CB 3.99Å; D207-R210 PolarHBondContact O-N 3.45Å; D207-R210 WeakPolarHBondContact OD2-CD 3.41Å; D207-R210 IonicContact OD2-CZ 3.49Å; D207-R210 IonicContact OD2-NE 3.77Å; D207-R210 IonicContact OD2-NH1 2.71Å; D207-R210 PolarHBondContact OD2-NH1 3.5Å; W208-R210 PolarHBondContact O-N 3.19Å; R210-R212 PolarHBondContact O-N 2.89Å; R210-D586 IonicContact CZ-OD1 2.66Å; R210-D586 IonicContact CZ-OD2 3.71Å; R210-D586 IonicContact NE-OD1 3.22Å; R210-D586 IonicContact NE-OD2 2.67Å; R210-D586 PolarHBondContact NE-OD2 3.23Å; R210-D586 IonicContact NH2-OD1 2.74Å; R210-D586 PolarHBondContact NH2-OD1 3.05Å; R210-D586 IonicContact NH2-OD2 3.6Å; R210-D586 PolarHBondContact NH2-OD2 3.02Å; R210-D586 VanDerWaalsContact NH2-OD2 3.17Å
211A95.7Very high96.5Very high22 Ų2229.4 Ų29.418%0.18217%0.168CC..  trans-58130.3175.100000111P147 W208P147-A211 HydrophobicContact CG-CB 3.92Å; P147-A211 WeakPolarHBondContact O-CA 3.45Å; W208-A211 WeakPolarHBondContact O-CB 3.32Å; W208-A211 PolarHBondContact O-N 3.27Å
212R95.4Very high96.6Very high74 Ų7427.7 Ų27.728%0.27915%0.154SC..EExtended strand (participates in β ladder)trans-131.9142.2176.5-64.3-63178-92.5-2.7112.2P147 G148 C149 S209 R210 D216 M219 F573 V577P147-R212 PolarHBondContact O-N 3.17Å; G148-R212 CarbonylContact C-O 3.5Å; G148-R212 WeakPolarHBondContact CA-O 3.11Å; C149-R212 PolarHBondContact N-O 3.05Å; S209-R212 PolarHBondContact O-NH1 2.98Å; R210-R212 PolarHBondContact O-N 2.89Å; R212-D216 WeakPolarHBondContact CA-OD2 3.48Å; R212-M219 HydrophobicContact CB-CG 4.22Å; R212-M219 HydrophobicContact CB-SD 4.42Å; R212-F573 HydrophobicContact CB-CE2 4.41Å; R212-V577 HydrophobicContact CB-CG2 4.1Å; R212-V577 HydrophobicContact CG-CG2 3.67Å
213F96.2Very high96.6Very high2 Ų227.7 Ų27.71%0.00916%0.155CC..EExtended strand (participates in β ladder)trans-93138.8162176.8-124.6000109V114 C149 H151 W185 K188 M215 D216 M219 W501V114-F213 HydrophobicContact CG1-CE2 4.12Å; V114-F213 HydrophobicContact CG2-CE2 4.24Å; C149-F213 HydrophobicContact CB-CD2 4.48Å; C149-F213 WeakPolarHBondContact O-CA 3.28Å; C149-F213 VanDerWaalsContact O-CD2 3.28Å; C149-F213 WeakPolarHBondContact O-CD2 3.33Å; C149-F213 WeakPolarHBondContact SG-CD2 3.33Å; H151-F213 VanDerWaalsContact CA-CE2 3.47Å; H151-F213 HydrophobicContact CB-CE1 4.37Å; H151-F213 HydrophobicContact CB-CE2 3.76Å; H151-F213 HydrophobicContact CB-CZ 3.42Å; H151-F213 VanDerWaalsContact CB-CZ 3.42Å; W185-F213 HydrophobicContact CH2-CD1 4.13Å; W185-F213 AromaticContact CH2-CE1 3.76Å; W185-F213 HydrophobicContact CH2-CE1 3.76Å; W185-F213 HydrophobicContact CZ3-CD1 4.08Å; W185-F213 AromaticContact CZ3-CE1 3.75Å; W185-F213 HydrophobicContact CZ3-CE1 3.75Å; K188-F213 HydrophobicContact CD-CD1 4.39Å; K188-F213 HydrophobicContact CD-CE1 4.3Å; K188-F213 HydrophobicContact CG-CD1 4.47Å; K188-F213 HydrophobicContact CG-CE1 3.98Å; K188-F213 HydrophobicContact CG-CE2 4.05Å; K188-F213 HydrophobicContact CG-CZ 3.77Å; F213-M215 HydrophobicContact CD1-CB 3.97Å; F213-M215 HydrophobicContact CE1-CB 3.63Å; F213-M215 HydrophobicContact CE1-CG 4.2Å; F213-M215 HydrophobicContact CE1-SD 4.46Å; F213-M215 HydrophobicContact CZ-CB 4.38Å; F213-M215 HydrophobicContact CZ-CG 4.49Å; F213-M215 PolarHBondContact O-N 3.24Å; F213-D216 PolarHBondContact N-OD2 3.5Å; F213-D216 VanDerWaalsContact O-CB 3.31Å; F213-D216 WeakPolarHBondContact O-CB 3.48Å; F213-D216 VanDerWaalsContact O-CG 3.28Å; F213-D216 PolarHBondContact O-N 2.98Å; F213-M219 WeakPolarHBondContact O-CG 3.29Å; F213-W501 HydrophobicContact CE1-CH2 4.38Å; F213-W501 HydrophobicContact CE1-CZ2 4.31Å; F213-W501 HydrophobicContact CZ-CH2 4.33Å; F213-W501 AromaticContact CZ-CZ2 3.82Å; F213-W501 HydrophobicContact CZ-CZ2 3.82Å
214T96.1Very high96.7Very high0 Ų029.3 Ų29.30%016%0.164CC..THydrogen-bonded Turntrans-61.6-14.4-173.746.10000115.3C149 D150 H151 M219 H503C149-T214 PolarHBondContact O-N 3.47Å; C149-T214 VanDerWaalsContact O-N 3.09Å; D150-T214 WeakPolarHBondContact CA-OG1 3.1Å; D150-T214 WeakPolarHBondContact OD1-CG2 3.38Å; D150-T214 PolarHBondContact OD1-OG1 2.91Å; H151-T214 PolarHBondContact N-OG1 3.2Å; H151-T214 PolarHBondContact ND1-OG1 2.96Å; H151-T214 VanDerWaalsContact ND1-OG1 3.15Å; T214-M219 VanDerWaalsContact O-CB 3.27Å; T214-M219 WeakPolarHBondContact O-CB 3.32Å; T214-H503 PolarHBondContact O-CE1 2.9Å; T214-H503 PolarHBondContact O-NE2 3.48Å
215M96Very high96.7Very high26 Ų2630.9 Ų30.913%0.12817%0.172CC..THydrogen-bonded Turntrans-106.112.6171.4-61.4178.365.100114.4H151 W185 F213 S220 W501H151-M215 HydrophobicContact CB-CG 3.78Å; H151-M215 HydrophobicContact CB-SD 3.57Å; H151-M215 VanDerWaalsContact CB-SD 3.57Å; W185-M215 HydrophobicContact CH2-CB 4.41Å; F213-M215 HydrophobicContact CD1-CB 3.97Å; F213-M215 HydrophobicContact CE1-CB 3.63Å; F213-M215 HydrophobicContact CE1-CG 4.2Å; F213-M215 HydrophobicContact CE1-SD 4.46Å; F213-M215 HydrophobicContact CZ-CB 4.38Å; F213-M215 HydrophobicContact CZ-CG 4.49Å; F213-M215 PolarHBondContact O-N 3.24Å; M215-S220 PolarHBondContact O-OG 2.77Å; M215-W501 HydrophobicContact SD-CD2 4.41Å; M215-W501 HydrophobicContact SD-CH2 4.12Å; M215-W501 HydrophobicContact SD-CZ2 3.98Å; M215-W501 HydrophobicContact SD-CZ3 4.42Å
216D96Very high96.7Very high42 Ų4230.9 Ų30.923%0.22517%0.172CC..SBendtrans-55.3154.4169.5-74.7-19.8000110.6R212 F213 S218 M219 S220R212-D216 WeakPolarHBondContact CA-OD2 3.48Å; F213-D216 PolarHBondContact N-OD2 3.5Å; F213-D216 VanDerWaalsContact O-CB 3.31Å; F213-D216 WeakPolarHBondContact O-CB 3.48Å; F213-D216 VanDerWaalsContact O-CG 3.28Å; F213-D216 PolarHBondContact O-N 2.98Å; D216-S218 VanDerWaalsContact C-N 3.33Å; D216-S218 PolarHBondContact O-N 3.44Å; D216-M219 HydrophobicContact CB-CB 4.37Å; D216-M219 HydrophobicContact CB-CG 4.2Å; D216-M219 CarbonylContact O-C 3.57Å; D216-M219 WeakPolarHBondContact O-CB 3.23Å; D216-M219 PolarHBondContact O-N 3.06Å; D216-S220 PolarHBondContact O-N 3.1Å; D216-S220 PolarHBondContact O-OG 2.74Å
217P96.8Very high96.8Very high116 Ų11630.9 Ų30.975%0.75317%0.172SC*.Hα-helixtrans-54.1-43.1-175.6-29.736.1000114.5S220 K221P217-S220 PolarHBondContact O-N 3.47Å; P217-K221 PolarHBondContact O-N 3.36Å
218S96Very high96.9Very high47 Ų4730.9 Ų30.933%0.32917%0.172SC..Hα-helixtrans-66.4-39.4176.7570000112.4D216 K221 A222D216-S218 VanDerWaalsContact C-N 3.33Å; D216-S218 PolarHBondContact O-N 3.44Å; S218-K221 WeakPolarHBondContact O-CB 3.32Å; S218-K221 PolarHBondContact O-N 3.21Å; S218-A222 PolarHBondContact O-N 2.83Å; S218-A222 VanDerWaalsContact O-N 3.09Å
219M97.1Very high97Very high0 Ų033.7 Ų33.70%018%0.182CC..Hα-helixtrans-66.8-41.7176.6-68.1-64.1-50.300111.7R212 F213 T214 D216 K221 A222 V223 F573 S576R212-M219 HydrophobicContact CB-CG 4.22Å; R212-M219 HydrophobicContact CB-SD 4.42Å; F213-M219 WeakPolarHBondContact O-CG 3.29Å; T214-M219 VanDerWaalsContact O-CB 3.27Å; T214-M219 WeakPolarHBondContact O-CB 3.32Å; D216-M219 HydrophobicContact CB-CB 4.37Å; D216-M219 HydrophobicContact CB-CG 4.2Å; D216-M219 CarbonylContact O-C 3.57Å; D216-M219 WeakPolarHBondContact O-CB 3.23Å; D216-M219 PolarHBondContact O-N 3.06Å; M219-K221 VanDerWaalsContact C-N 3.31Å; M219-K221 PolarHBondContact O-N 2.91Å; M219-A222 WeakPolarHBondContact O-CB 3.2Å; M219-A222 PolarHBondContact O-N 3.25Å; M219-V223 WeakPolarHBondContact O-CG2 3.43Å; M219-V223 PolarHBondContact O-N 3.5Å; M219-F573 HydrophobicContact CE-CD2 4.22Å; M219-S576 WeakPolarHBondContact CE-OG 3.24Å; M219-S576 PolarHBondContact SD-OG 2.96Å
220S97.5Very high97.2Very high33 Ų3330.6 Ų30.623%0.23116%0.16CC..Hα-helixtrans-64.2-37.4175.4-65.30000111.8M215 D216 P217 V223 T224 H503M215-S220 PolarHBondContact O-OG 2.77Å; D216-S220 PolarHBondContact O-N 3.1Å; D216-S220 PolarHBondContact O-OG 2.74Å; P217-S220 PolarHBondContact O-N 3.47Å; S220-V223 PolarHBondContact O-N 3.06Å; S220-T224 PolarHBondContact O-N 2.96Å; S220-T224 PolarHBondContact O-OG1 2.71Å; S220-H503 PolarHBondContact OG-CE1 3.07Å
221K97.7Very high97.4Very high102 Ų10231.4 Ų31.444%0.44316%0.164SC..Hα-helixtrans-61-44.7173.1-172.6177.4-176.4178.40111.8P217 S218 M219 V223 T224 E225 E582P217-K221 PolarHBondContact O-N 3.36Å; S218-K221 WeakPolarHBondContact O-CB 3.32Å; S218-K221 PolarHBondContact O-N 3.21Å; M219-K221 VanDerWaalsContact C-N 3.31Å; M219-K221 PolarHBondContact O-N 2.91Å; K221-V223 VanDerWaalsContact C-N 3.35Å; K221-V223 PolarHBondContact O-N 2.7Å; K221-T224 PolarHBondContact O-N 3.05Å; K221-E225 PolarHBondContact O-N 2.87Å; K221-E582 WeakPolarHBondContact CD-OE1 3.18Å; K221-E582 WeakPolarHBondContact CE-OE1 3.35Å; K221-E582 IonicContact NZ-OE1 3.49Å; K221-E582 PolarHBondContact NZ-OE1 3.36Å
222A98.3Very high97.4Very high0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-56.9-47.117300000112.1S218 M219 T224 E225 A226 L572 W580S218-A222 PolarHBondContact O-N 2.83Å; S218-A222 VanDerWaalsContact O-N 3.09Å; M219-A222 WeakPolarHBondContact O-CB 3.2Å; M219-A222 PolarHBondContact O-N 3.25Å; A222-T224 VanDerWaalsContact C-N 3.32Å; A222-T224 PolarHBondContact O-N 2.61Å; A222-E225 PolarHBondContact O-N 3.02Å; A222-A226 WeakPolarHBondContact O-CB 3.34Å; A222-A226 PolarHBondContact O-N 3.32Å; A222-L572 HydrophobicContact CB-CD1 4.43Å; A222-W580 HydrophobicContact CB-CE3 3.65Å; A222-W580 HydrophobicContact CB-CZ3 3.81Å; A222-W580 WeakPolarHBondContact CB-O 3.47Å; A222-W580 WeakPolarHBondContact O-CZ3 3.35Å
223V98.5Very high97.5Very high2 Ų235.9 Ų35.91%0.01219%0.19CC..Hα-helixtrans-59.1-44.5179.2174.10000111.7M219 S220 K221 A226 F227 H503 L564 F568 S569 L572M219-V223 WeakPolarHBondContact O-CG2 3.43Å; M219-V223 PolarHBondContact O-N 3.5Å; S220-V223 PolarHBondContact O-N 3.06Å; K221-V223 VanDerWaalsContact C-N 3.35Å; K221-V223 PolarHBondContact O-N 2.7Å; V223-A226 PolarHBondContact O-N 3.04Å; V223-F227 PolarHBondContact O-N 3.26Å; V223-H503 HydrophobicContact CG1-CB 3.91Å; V223-L564 HydrophobicContact CG1-CD1 3.46Å; V223-L564 VanDerWaalsContact CG1-CD1 3.46Å; V223-F568 HydrophobicContact CG1-CD1 4.06Å; V223-F568 HydrophobicContact CG1-CE1 4.09Å; V223-S569 VanDerWaalsContact CG2-CB 3.43Å; V223-L572 HydrophobicContact CB-CD1 4.44Å; V223-L572 HydrophobicContact CG2-CD1 3.92Å
224T98.3Very high97.6Very high33 Ų3337.9 Ų37.920%0.20221%0.211CC..Hα-helixtrans-61.9-48177-62.60000111.9S220 K221 A222 A226 F227 I228 P506 H535S220-T224 PolarHBondContact O-N 2.96Å; S220-T224 PolarHBondContact O-OG1 2.71Å; K221-T224 PolarHBondContact O-N 3.05Å; A222-T224 VanDerWaalsContact C-N 3.32Å; A222-T224 PolarHBondContact O-N 2.61Å; T224-A226 PolarHBondContact O-N 3.3Å; T224-F227 PolarHBondContact O-N 3.31Å; T224-I228 HydrophobicContact CG2-CD1 3.72Å; T224-I228 WeakPolarHBondContact O-CG1 3.36Å; T224-I228 PolarHBondContact O-N 3.4Å; T224-P506 HydrophobicContact CG2-CB 3.85Å; T224-P506 HydrophobicContact CG2-CG 4.13Å; T224-H535 HydrophobicContact CG2-CB 4.45Å
225E98.5Very high97.7Very high33 Ų3339 Ų3915%0.15422%0.217CC..Hα-helixtrans-59.5-46.3177.5-178.379.5-158.300111.5K221 A222 F227 I228 R229 H535 W580 P581K221-E225 PolarHBondContact O-N 2.87Å; A222-E225 PolarHBondContact O-N 3.02Å; E225-F227 VanDerWaalsContact C-N 3.32Å; E225-F227 PolarHBondContact O-N 2.95Å; E225-I228 PolarHBondContact O-N 3.1Å; E225-R229 HydrophobicContact CG-CG 4.42Å; E225-R229 WeakPolarHBondContact O-CG 3.39Å; E225-R229 PolarHBondContact O-N 2.94Å; E225-R229 IonicContact OE1-CZ 2.62Å; E225-R229 IonicContact OE1-NE 3.52Å; E225-R229 PolarHBondContact OE1-NE 3.4Å; E225-R229 IonicContact OE1-NH2 3.95Å; E225-R229 PolarHBondContact OE1-NH2 3.08Å; E225-H535 IonicContact OE2-CD2 3.67Å; E225-H535 IonicContact OE2-CE1 3.41Å; E225-H535 IonicContact OE2-NE2 3.08Å; E225-H535 PolarHBondContact OE2-NE2 3.46Å; E225-W580 HydrophobicContact CB-CH2 3.92Å; E225-W580 HydrophobicContact CB-CZ3 4.23Å; E225-W580 HydrophobicContact CG-CH2 3.71Å; E225-W580 HydrophobicContact CG-CZ2 4.02Å; E225-W580 HydrophobicContact CG-CZ3 4.42Å; E225-P581 HydrophobicContact CB-CB 4.14Å; E225-P581 HydrophobicContact CB-CG 3.91Å; E225-P581 HydrophobicContact CG-CB 3.65Å; E225-P581 HydrophobicContact CG-CG 3.91Å
226A98.5Very high97.8Very high0 Ų037.8 Ų37.80%021%0.211CC..Hα-helixtrans-59.6-44.8179.700000111A222 V223 T224 I228 L230 F568 L572 W580 L617A222-A226 WeakPolarHBondContact O-CB 3.34Å; A222-A226 PolarHBondContact O-N 3.32Å; V223-A226 PolarHBondContact O-N 3.04Å; T224-A226 PolarHBondContact O-N 3.3Å; A226-I228 PolarHBondContact O-N 3.16Å; A226-L230 WeakPolarHBondContact O-CB 3.18Å; A226-L230 WeakPolarHBondContact O-CD1 3.46Å; A226-L230 WeakPolarHBondContact O-CG 3.4Å; A226-L230 PolarHBondContact O-N 2.77Å; A226-F568 HydrophobicContact CB-CE1 4.47Å; A226-L572 HydrophobicContact CB-CD1 3.73Å; A226-L572 HydrophobicContact CB-CD2 3.98Å; A226-W580 HydrophobicContact CB-CH2 3.91Å; A226-W580 HydrophobicContact CB-CZ3 4.11Å; A226-L617 HydrophobicContact CB-CD1 3.73Å
227F98.7Very high97.9Very high0 Ų037 Ų370%021%0.205CC..Hα-helixtrans-60-47.2176.5-171-84000111.6V223 T224 E225 L230 Y231 I236 W452 I495 I505 P506 A507 V533 L564 F568V223-F227 PolarHBondContact O-N 3.26Å; T224-F227 PolarHBondContact O-N 3.31Å; E225-F227 VanDerWaalsContact C-N 3.32Å; E225-F227 PolarHBondContact O-N 2.95Å; F227-L230 PolarHBondContact O-N 2.83Å; F227-Y231 VanDerWaalsContact O-CB 3.28Å; F227-Y231 WeakPolarHBondContact O-CB 3.45Å; F227-Y231 PolarHBondContact O-N 2.95Å; F227-I236 HydrophobicContact CD2-CD1 3.6Å; F227-I236 HydrophobicContact CE1-CG2 4.34Å; F227-I236 HydrophobicContact CE2-CD1 3.85Å; F227-I236 HydrophobicContact CE2-CG2 3.86Å; F227-I236 HydrophobicContact CG-CD1 4Å; F227-I236 HydrophobicContact CZ-CD1 4.45Å; F227-I236 HydrophobicContact CZ-CG2 3.7Å; F227-W452 HydrophobicContact CZ-CD2 4.15Å; F227-W452 HydrophobicContact CZ-CE3 4.03Å; F227-W452 HydrophobicContact CZ-CZ3 4.33Å; F227-I495 HydrophobicContact CD2-CD1 4.33Å; F227-I495 HydrophobicContact CE2-CD1 3.9Å; F227-I505 HydrophobicContact CE1-CG2 4.02Å; F227-I505 HydrophobicContact CE2-CG2 3.69Å; F227-I505 HydrophobicContact CZ-CG2 3.4Å; F227-I505 VanDerWaalsContact CZ-CG2 3.4Å; F227-P506 HydrophobicContact CB-CG 3.85Å; F227-P506 HydrophobicContact CD1-CG 3.55Å; F227-P506 HydrophobicContact CE1-CG 4.26Å; F227-P506 HydrophobicContact CG-CG 3.76Å; F227-A507 HydrophobicContact CE1-CB 4.43Å; F227-V533 HydrophobicContact CD1-CG1 4.32Å; F227-V533 HydrophobicContact CE1-CB 4.49Å; F227-V533 HydrophobicContact CE1-CG1 3.71Å; F227-L564 HydrophobicContact CD2-CD1 4.36Å; F227-L564 HydrophobicContact CD2-CD2 3.79Å; F227-L564 HydrophobicContact CE2-CD2 3.87Å; F227-F568 HydrophobicContact CB-CE1 4.24Å; F227-F568 HydrophobicContact CB-CZ 4.1Å; F227-F568 HydrophobicContact CD2-CE1 4.47Å; F227-F568 HydrophobicContact CD2-CZ 4.13Å
228I98.5Very high97.8Very high4 Ų432.4 Ų32.42%0.02117%0.173CC..Hα-helixtrans-65.9-44.2-177.1-69.6165.9000111.3T224 E225 A226 Y231 N232 V533 G534 H535T224-I228 HydrophobicContact CG2-CD1 3.72Å; T224-I228 WeakPolarHBondContact O-CG1 3.36Å; T224-I228 PolarHBondContact O-N 3.4Å; E225-I228 PolarHBondContact O-N 3.1Å; A226-I228 PolarHBondContact O-N 3.16Å; I228-Y231 PolarHBondContact O-N 3.16Å; I228-N232 WeakPolarHBondContact O-CB 3.18Å; I228-N232 PolarHBondContact O-N 3.02Å; I228-N232 PolarHBondContact O-ND2 2.81Å; I228-V533 HydrophobicContact CG1-CB 4.3Å; I228-V533 HydrophobicContact CG1-CG2 4.16Å; I228-V533 HydrophobicContact CG2-CG2 4.39Å; I228-G534 VanDerWaalsContact CD1-C 3.43Å; I228-H535 HydrophobicContact CD1-CB 4.35Å; I228-H535 WeakPolarHBondContact CD1-NE2 3.38Å
229R98.2Very high97.7Very high87 Ų8731.6 Ų31.633%0.32817%0.167SC..Hα-helixtrans-61.1-47.3176.5-71.1-172.8-171.9-170.36.4112E225 Y231 N232 D233 L617E225-R229 HydrophobicContact CG-CG 4.42Å; E225-R229 WeakPolarHBondContact O-CG 3.39Å; E225-R229 PolarHBondContact O-N 2.94Å; E225-R229 IonicContact OE1-CZ 2.62Å; E225-R229 IonicContact OE1-NE 3.52Å; E225-R229 PolarHBondContact OE1-NE 3.4Å; E225-R229 IonicContact OE1-NH2 3.95Å; E225-R229 PolarHBondContact OE1-NH2 3.08Å; R229-Y231 VanDerWaalsContact C-N 3.31Å; R229-Y231 PolarHBondContact O-N 3.39Å; R229-N232 PolarHBondContact O-N 3.01Å; R229-D233 WeakPolarHBondContact O-CB 3.27Å; R229-D233 PolarHBondContact O-N 3.49Å; R229-L617 HydrophobicContact CB-CD2 4.04Å
230L98.5Very high97.4Very high0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-66.7-33.3179.5-65.9170.8000112.5A226 F227 G234 L235 I236 L454 F568 I613 K616 L617A226-L230 WeakPolarHBondContact O-CB 3.18Å; A226-L230 WeakPolarHBondContact O-CD1 3.46Å; A226-L230 WeakPolarHBondContact O-CG 3.4Å; A226-L230 PolarHBondContact O-N 2.77Å; F227-L230 PolarHBondContact O-N 2.83Å; L230-G234 PolarHBondContact O-N 2.8Å; L230-L235 HydrophobicContact CD2-CD1 3.82Å; L230-L235 WeakPolarHBondContact O-CA 3.43Å; L230-L235 WeakPolarHBondContact O-CB 3.42Å; L230-L235 PolarHBondContact O-N 3.27Å; L230-I236 HydrophobicContact CB-CD1 3.61Å; L230-I236 HydrophobicContact CB-CG1 3.76Å; L230-I236 HydrophobicContact CD1-CD1 4.02Å; L230-I236 PolarHBondContact O-N 3.05Å; L230-I236 VanDerWaalsContact O-N 3.13Å; L230-L454 HydrophobicContact CB-CD1 4.42Å; L230-L454 HydrophobicContact CD1-CD1 4.05Å; L230-L454 HydrophobicContact CD1-CD2 4.43Å; L230-L454 HydrophobicContact CD2-CD1 4.47Å; L230-F568 HydrophobicContact CD1-CE2 3.99Å; L230-F568 HydrophobicContact CD1-CZ 4.06Å; L230-I613 HydrophobicContact CD1-CD1 3.76Å; L230-I613 HydrophobicContact CD2-CD1 4.04Å; L230-I613 HydrophobicContact CG-CD1 4.32Å; L230-K616 HydrophobicContact CD2-CG 3.85Å; L230-L617 HydrophobicContact CD2-CD2 4.22Å; L230-L617 HydrophobicContact CG-CD2 4.37Å
231Y98.3Very high97.1Very high37 Ų3737.3 Ų37.315%0.14519%0.188CC..Hα-helixtrans-65.9-48172.3178.9-84.8000111.3F227 I228 R229 D233 G234 I236 W452 H528 V533F227-Y231 VanDerWaalsContact O-CB 3.28Å; F227-Y231 WeakPolarHBondContact O-CB 3.45Å; F227-Y231 PolarHBondContact O-N 2.95Å; I228-Y231 PolarHBondContact O-N 3.16Å; R229-Y231 VanDerWaalsContact C-N 3.31Å; R229-Y231 PolarHBondContact O-N 3.39Å; Y231-D233 PolarHBondContact O-N 3.21Å; Y231-G234 PolarHBondContact O-N 3.28Å; Y231-I236 HydrophobicContact CD2-CG2 4.31Å; Y231-W452 HydrophobicContact CD2-CZ3 4.03Å; Y231-W452 HydrophobicContact CE2-CH2 4.2Å; Y231-W452 AromaticContact CE2-CZ3 3.86Å; Y231-W452 HydrophobicContact CE2-CZ3 3.86Å; Y231-H528 AromaticContact CE2-CE1 3.35Å; Y231-H528 WeakPolarHBondContact CE2-CE1 3.47Å; Y231-H528 AromaticContact CZ-CE1 3.85Å; Y231-V533 HydrophobicContact CD1-CB 4.3Å; Y231-V533 HydrophobicContact CD1-CG1 3.93Å; Y231-V533 HydrophobicContact CD1-CG2 3.33Å; Y231-V533 HydrophobicContact CD2-CG1 3.61Å; Y231-V533 HydrophobicContact CD2-CG2 4.49Å; Y231-V533 HydrophobicContact CE1-CG1 4.08Å; Y231-V533 HydrophobicContact CE1-CG2 3.77Å; Y231-V533 HydrophobicContact CE2-CG1 3.75Å; Y231-V533 HydrophobicContact CG-CB 4.39Å; Y231-V533 HydrophobicContact CG-CG1 3.7Å; Y231-V533 HydrophobicContact CG-CG2 3.76Å
232N97.1Very high96.8Very high102 Ų10233.1 Ų33.155%0.54517%0.17SC..Hα-helixtrans-62.2-32178.6-67.6-17.5000112.1I228 R229 G234I228-N232 WeakPolarHBondContact O-CB 3.18Å; I228-N232 PolarHBondContact O-N 3.02Å; I228-N232 PolarHBondContact O-ND2 2.81Å; R229-N232 PolarHBondContact O-N 3.01Å; N232-G234 PolarHBondContact O-N 2.99Å
233D97.6Very high96.6Very high88 Ų8833.7 Ų33.747%0.47117%0.174SC..THydrogen-bonded Turntrans-76.41.2173.7-74.9-1.1000113.7R229 Y231 L235 K616R229-D233 WeakPolarHBondContact O-CB 3.27Å; R229-D233 PolarHBondContact O-N 3.49Å; Y231-D233 PolarHBondContact O-N 3.21Å; D233-L235 HydrophobicContact CB-CD1 4.37Å; D233-L235 HydrophobicContact CB-CG 4.26Å; D233-L235 PolarHBondContact O-N 3.34Å; D233-K616 WeakPolarHBondContact OD2-CE 3.26Å; D233-K616 IonicContact OD2-NZ 2.64Å; D233-K616 PolarHBondContact OD2-NZ 3.09Å
234G97.2Very high96.4Very high43 Ų4335 Ų3544%0.44318%0.18SC..THydrogen-bonded Turntrans70.911.8-178.500000114.7L230 Y231 N232L230-G234 PolarHBondContact O-N 2.8Å; Y231-G234 PolarHBondContact O-N 3.28Å; N232-G234 PolarHBondContact O-N 2.99Å
235L98.2Very high96.3Very high23 Ų2333.4 Ų33.412%0.1217%0.171CC..  trans-84.4-31.7179.1-64.8175.9000112.3L230 D233 L454 R455 K616L230-L235 HydrophobicContact CD2-CD1 3.82Å; L230-L235 WeakPolarHBondContact O-CA 3.43Å; L230-L235 WeakPolarHBondContact O-CB 3.42Å; L230-L235 PolarHBondContact O-N 3.27Å; D233-L235 HydrophobicContact CB-CD1 4.37Å; D233-L235 HydrophobicContact CB-CG 4.26Å; D233-L235 PolarHBondContact O-N 3.34Å; L235-L454 HydrophobicContact CB-CD1 3.89Å; L235-L454 CarbonylContact O-C 3.54Å; L235-L454 WeakPolarHBondContact O-CA 3.31Å; L235-R455 HydrophobicContact CD2-CB 4Å; L235-R455 PolarHBondContact O-N 3.3Å; L235-K616 HydrophobicContact CD1-CD 3.94Å; L235-K616 VanDerWaalsContact CD1-CE 3.44Å; L235-K616 HydrophobicContact CD1-CG 4.19Å
236I98.4Very high96.2Very high1 Ų131.8 Ų31.81%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-96.7127.4171.9-67.3177.8000110F227 L230 Y231 W452 Y453 L454 I495 F568F227-I236 HydrophobicContact CD2-CD1 3.6Å; F227-I236 HydrophobicContact CE1-CG2 4.34Å; F227-I236 HydrophobicContact CE2-CD1 3.85Å; F227-I236 HydrophobicContact CE2-CG2 3.86Å; F227-I236 HydrophobicContact CG-CD1 4Å; F227-I236 HydrophobicContact CZ-CD1 4.45Å; F227-I236 HydrophobicContact CZ-CG2 3.7Å; L230-I236 HydrophobicContact CB-CD1 3.61Å; L230-I236 HydrophobicContact CB-CG1 3.76Å; L230-I236 HydrophobicContact CD1-CD1 4.02Å; L230-I236 PolarHBondContact O-N 3.05Å; L230-I236 VanDerWaalsContact O-N 3.13Å; Y231-I236 HydrophobicContact CD2-CG2 4.31Å; I236-W452 HydrophobicContact CG2-CE3 3.67Å; I236-W452 HydrophobicContact CG2-CZ3 4.17Å; I236-Y453 VanDerWaalsContact CA-O 3.32Å; I236-Y453 WeakPolarHBondContact CA-O 3.34Å; I236-L454 HydrophobicContact CG1-CB 4.49Å; I236-L454 HydrophobicContact CG1-CD1 3.71Å; I236-I495 HydrophobicContact CD1-CD1 3.82Å; I236-I495 HydrophobicContact CG1-CD1 4.05Å; I236-I495 HydrophobicContact CG2-CD1 4.15Å; I236-F568 HydrophobicContact CD1-CE2 4.05Å; I236-F568 HydrophobicContact CD1-CZ 4.14Å
237Y97.3Very high96Very high25 Ų2532 Ų3210%0.09816%0.164CC..EExtended strand (participates in β ladder)trans-145.6164.7178.268.3-80.5000111.5R241 W452 Y453 R455 D492Y237-R241 PolarHBondContact OH-NH1 2.97Å; Y237-R241 PolarHBondContact OH-NH2 3.37Å; Y237-W452 WeakPolarHBondContact O-CA 3.47Å; Y237-Y453 PolarHBondContact N-O 3.1Å; Y237-Y453 PolarHBondContact O-N 2.96Å; Y237-R455 HydrophobicContact CD1-CG 4.04Å; Y237-R455 HydrophobicContact CE1-CG 3.6Å; Y237-D492 PolarHBondContact OH-OD2 3.42Å
238R95.9Very high95.7Very high21 Ų2135.1 Ų35.18%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-107.1137.2178.6-163.9178.5-17995.20.3109.3Q451 W452 P525 H528 D560R238-Q451 WeakPolarHBondContact CA-O 3.35Å; R238-W452 HydrophobicContact CB-CD2 4.33Å; R238-W452 HydrophobicContact CB-CE3 4.08Å; R238-W452 HydrophobicContact CB-CH2 4.32Å; R238-W452 HydrophobicContact CB-CZ3 4.09Å; R238-W452 HydrophobicContact CG-CD2 4.48Å; R238-P525 PolarHBondContact NE-O 3.42Å; R238-H528 HydrophobicContact CB-CB 4.21Å; R238-H528 PolarHBondContact N-ND1 2.71Å; R238-D560 IonicContact CZ-OD2 3.94Å; R238-D560 IonicContact NH1-OD2 3.36Å; R238-D560 PolarHBondContact NH1-OD2 2.88Å; R238-D560 IonicContact NH2-OD2 3.49Å
239S93.4Very high95.3Very high30 Ų3035.2 Ų35.221%0.2118%0.184CC..EExtended strand (participates in β ladder)trans-152.7144.8-178.4-172.10000111.8R241 P450 Q451 Y453S239-R241 PolarHBondContact OG-NE 3.49Å; S239-P450 WeakPolarHBondContact O-CA 3.37Å; S239-Q451 PolarHBondContact N-O 2.8Å; S239-Q451 PolarHBondContact O-N 3.19Å; S239-Y453 WeakPolarHBondContact O-CE2 3.21Å
240L91.4Very high95Very high64 Ų6436 Ų3634%0.33519%0.187SC..EExtended strand (participates in β ladder)trans-83.8111.9172.3-174.964.8000109.6L448 P450L240-L448 HydrophobicContact CD1-CD1 4.49Å; L240-L448 HydrophobicContact CD1-CD2 3.98Å; L240-L448 HydrophobicContact CD1-CG 3.67Å; L240-L448 HydrophobicContact CD2-CD2 3.67Å; L240-L448 HydrophobicContact CD2-CG 4.18Å; L240-L448 HydrophobicContact CG-CD1 4.1Å; L240-L448 HydrophobicContact CG-CD2 3.77Å; L240-L448 HydrophobicContact CG-CG 3.68Å; L240-P450 HydrophobicContact CD1-CB 4.45Å
241R90.6Very high94.8Very high89 Ų8936 Ų3634%0.33619%0.187SC..EExtended strand (participates in β ladder)trans-143.9163.3178.4-56.5-176.2177.8179.7-2.2111.2Y237 S239 V243 K449 Y453Y237-R241 PolarHBondContact OH-NH1 2.97Å; Y237-R241 PolarHBondContact OH-NH2 3.37Å; S239-R241 PolarHBondContact OG-NE 3.49Å; R241-V243 PolarHBondContact O-N 3.34Å; R241-K449 PolarHBondContact N-O 3.03Å; R241-K449 PolarHBondContact O-N 3.04Å; R241-Y453 WeakPolarHBondContact CB-OH 3.4Å; R241-Y453 HydrophobicContact CG-CE2 4.38Å
242L92.5Very high94.5Very high14 Ų1434.2 Ų34.27%0.07318%0.181CC..EExtended strand (participates in β ladder)trans-69.4125.8167.8-72.4174.7000109.6A368 D370 H371 W374 P446 M447 L448L242-A368 VanDerWaalsContact CD2-O 3.31Å; L242-A368 WeakPolarHBondContact CD2-O 3.14Å; L242-D370 VanDerWaalsContact CD1-O 3.31Å; L242-D370 WeakPolarHBondContact CD1-O 3.17Å; L242-H371 WeakPolarHBondContact CB-CE1 3.26Å; L242-H371 HydrophobicContact CD1-CB 4.38Å; L242-W374 HydrophobicContact CD1-CB 3.49Å; L242-W374 VanDerWaalsContact CD1-CB 3.49Å; L242-W374 HydrophobicContact CD1-CG 3.86Å; L242-W374 HydrophobicContact CG-CB 4.37Å; L242-W374 HydrophobicContact CG-CG 4.27Å; L242-P446 HydrophobicContact CD2-CB 4.25Å; L242-M447 WeakPolarHBondContact CA-O 3.49Å; L242-L448 HydrophobicContact CD2-CB 4.22Å; L242-L448 HydrophobicContact CD2-CD1 4.35Å; L242-L448 HydrophobicContact CG-CD1 4.32Å
243V93.3Very high94.2Very high11 Ų1129.7 Ų29.77%0.06716%0.156CC..EExtended strand (participates in β ladder)trans-117.8154.2172.7-62.60000110.6R241 W245 A252 M447 K449 Q451 Y453R241-V243 PolarHBondContact O-N 3.34Å; V243-W245 HydrophobicContact CG2-CE3 4.24Å; V243-W245 PolarHBondContact O-N 2.95Å; V243-W245 VanDerWaalsContact O-N 3.12Å; V243-A252 HydrophobicContact CB-CB 4.25Å; V243-A252 HydrophobicContact CG2-CB 3.93Å; V243-M447 WeakPolarHBondContact CG2-O 3.49Å; V243-M447 PolarHBondContact N-O 2.93Å; V243-M447 PolarHBondContact O-N 3.44Å; V243-K449 HydrophobicContact CG2-CB 4.07Å; V243-K449 HydrophobicContact CG2-CG 4.28Å; V243-Q451 HydrophobicContact CG1-CG 3.9Å; V243-Y453 WeakPolarHBondContact CG1-OH 3.42Å
244N94.6Very high93.7Very high29 Ų2926.5 Ų26.516%0.15514%0.141CC..EExtended strand (participates in β ladder)trans-64.3110.2165.4-67.6-42.2000108.8A252 I253 D255 V258 V444N244-A252 CarbonylContact O-C 3.43Å; N244-A252 WeakPolarHBondContact O-CA 3.49Å; N244-I253 HydrophobicContact CB-CG1 3.78Å; N244-I253 WeakPolarHBondContact O-CG1 3.46Å; N244-I253 PolarHBondContact O-N 3.47Å; N244-D255 PolarHBondContact ND2-OD1 2.81Å; N244-V258 HydrophobicContact CB-CG2 4.08Å; N244-V444 HydrophobicContact CB-CG1 3.58Å
245W96.2Very high92.9Very high0 Ų030.6 Ų30.60%015%0.153CC..EExtended strand (participates in β ladder)trans-108.9132-177.7-172-96.4000111.1V243 R250 A252 E390 V444 E445 M447 K449 Q498V243-W245 HydrophobicContact CG2-CE3 4.24Å; V243-W245 PolarHBondContact O-N 2.95Å; V243-W245 VanDerWaalsContact O-N 3.12Å; W245-R250 WeakPolarHBondContact CH2-O 3.43Å; W245-R250 HydrophobicContact CZ2-CB 4.27Å; W245-R250 WeakPolarHBondContact CZ2-O 3.4Å; W245-A252 HydrophobicContact CE3-CB 4.4Å; W245-E390 HydrophobicContact CH2-CG 4.39Å; W245-E390 HydrophobicContact CZ2-CB 3.76Å; W245-E390 HydrophobicContact CZ2-CG 3.77Å; W245-E390 PolarHBondContact NE1-O 3.49Å; W245-V444 WeakPolarHBondContact O-CA 3.24Å; W245-E445 WeakPolarHBondContact CA-O 3.22Å; W245-E445 HydrophobicContact CB-CB 4.4Å; W245-E445 WeakPolarHBondContact CB-O 3.3Å; W245-E445 PolarHBondContact N-O 3.42Å; W245-E445 PolarHBondContact O-N 3.12Å; W245-M447 HydrophobicContact CB-CB 3.59Å; W245-M447 HydrophobicContact CB-SD 4.35Å; W245-M447 HydrophobicContact CD2-CB 4.48Å; W245-M447 HydrophobicContact CD2-SD 3.74Å; W245-M447 HydrophobicContact CE3-SD 4.38Å; W245-M447 HydrophobicContact CG-CB 3.98Å; W245-M447 HydrophobicContact CG-CE 4.03Å; W245-M447 HydrophobicContact CG-CG 4.45Å; W245-M447 HydrophobicContact CG-SD 3.69Å; W245-K449 HydrophobicContact CE3-CG 4.07Å; W245-K449 HydrophobicContact CZ3-CD 4.27Å; W245-K449 HydrophobicContact CZ3-CG 3.96Å; W245-Q498 HydrophobicContact CH2-CB 4.24Å; W245-Q498 HydrophobicContact CH2-CG 3.96Å; W245-Q498 HydrophobicContact CZ3-CG 4.19Å; W245-Q498 VanDerWaalsContact CZ3-OE1 3.25Å
246S95.1Very high91.8Very high0 Ų033.7 Ų33.70%017%0.168CC..EExtended strand (participates in β ladder)trans-100.1110.7167.2-177.90000109.7T248 L249 R250 S251 S440S246-T248 VanDerWaalsContact C-N 3.27Å; S246-T248 PolarHBondContact O-N 2.84Å; S246-L249 CarbonylContact O-C 3.55Å; S246-L249 PolarHBondContact O-N 2.96Å; S246-L249 VanDerWaalsContact O-N 3.14Å; S246-L249 PolarHBondContact OG-N 3.3Å; S246-R250 WeakPolarHBondContact O-CA 3.25Å; S246-R250 PolarHBondContact O-N 2.76Å; S246-S251 PolarHBondContact N-O 3.2Å; S246-S251 PolarHBondContact O-N 2.85Å; S246-S440 PolarHBondContact OG-OG 3.13Å
247C95.2Very high91Very high3 Ų334.2 Ų34.22%0.0217%0.171CC..THydrogen-bonded Turntrans-60-37.4177.2-66.10000112.6R250 E390 G392C247-R250 VanDerWaalsContact O-CG 3.27Å; C247-R250 WeakPolarHBondContact O-CG 3.22Å; C247-R250 PolarHBondContact O-N 2.8Å; C247-E390 WeakPolarHBondContact CA-O 3.48Å; C247-G392 VanDerWaalsContact SG-CA 3.55Å
248T91.8Very high90.7Very high66 Ų6633.8 Ų33.841%0.40517%0.171SC..THydrogen-bonded Turntrans-63.2-41.8174.7-62.50000112.6S246 P272 D442S246-T248 VanDerWaalsContact C-N 3.27Å; S246-T248 PolarHBondContact O-N 2.84Å; T248-P272 HydrophobicContact CG2-CB 4.48Å; T248-D442 WeakPolarHBondContact CB-OD2 3.21Å; T248-D442 PolarHBondContact N-OD2 2.79Å; T248-D442 WeakPolarHBondContact OG1-CB 3.43Å; T248-D442 VanDerWaalsContact OG1-CG 3.25Å; T248-D442 PolarHBondContact OG1-OD2 3.46Å
249L90.1Very high90.5Very high7 Ų736 Ų364%0.03718%0.184CC..THydrogen-bonded Turntrans-84.9-15.4179.4-56.7178.1000112.9I154 V158 R172 S246 S251 I253 R439I154-L249 HydrophobicContact CD1-CD1 3.68Å; I154-L249 HydrophobicContact CG1-CD1 4.22Å; V158-L249 HydrophobicContact CG2-CD2 3.68Å; R172-L249 PolarHBondContact NH1-O 2.92Å; R172-L249 PolarHBondContact NH2-O 2.85Å; S246-L249 CarbonylContact O-C 3.55Å; S246-L249 PolarHBondContact O-N 2.96Å; S246-L249 VanDerWaalsContact O-N 3.14Å; S246-L249 PolarHBondContact OG-N 3.3Å; L249-S251 PolarHBondContact O-N 2.91Å; L249-I253 HydrophobicContact CD1-CG2 4.25Å; L249-R439 HydrophobicContact CD1-CB 3.96Å
250R92.5Very high90.5Very high102 Ų10242.6 Ų42.639%0.38521%0.209SC..THydrogen-bonded Turntrans48.846.4-169.7-58.5-177.1175.8-170.4-4.6111.8W245 S246 C247 D391 Q498W245-R250 WeakPolarHBondContact CH2-O 3.43Å; W245-R250 HydrophobicContact CZ2-CB 4.27Å; W245-R250 WeakPolarHBondContact CZ2-O 3.4Å; S246-R250 WeakPolarHBondContact O-CA 3.25Å; S246-R250 PolarHBondContact O-N 2.76Å; C247-R250 VanDerWaalsContact O-CG 3.27Å; C247-R250 WeakPolarHBondContact O-CG 3.22Å; C247-R250 PolarHBondContact O-N 2.8Å; R250-D391 VanDerWaalsContact NH2-CB 3.28Å; R250-D391 IonicContact NH2-OD2 2.69Å; R250-Q498 WeakPolarHBondContact O-CB 3.32Å
251S93.4Very high90.6Very high0 Ų043.2 Ų43.20%021%0.21CC..EExtended strand (participates in β ladder)trans-150148.9-177.1-176.70000111.7S246 L249 Q498S246-S251 PolarHBondContact N-O 3.2Å; S246-S251 PolarHBondContact O-N 2.85Å; L249-S251 PolarHBondContact O-N 2.91Å; S251-Q498 PolarHBondContact OG-N 2.77Å; S251-Q498 VanDerWaalsContact OG-N 3.14Å
252A93Very high90.9Very high1 Ų146.7 Ų46.71%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-59.6142.1162.400000109.8V243 N244 W245 R497V243-A252 HydrophobicContact CB-CB 4.25Å; V243-A252 HydrophobicContact CG2-CB 3.93Å; N244-A252 CarbonylContact O-C 3.43Å; N244-A252 WeakPolarHBondContact O-CA 3.49Å; W245-A252 HydrophobicContact CE3-CB 4.4Å; A252-R497 WeakPolarHBondContact O-CD 3.37Å
253I91.5Very high91.1Very high7 Ų746.6 Ų46.64%0.03623%0.23CC..  trans-124.9155.2175.664172.6000109.7I154 N244 L249 E257 V258 C437 V444I154-I253 HydrophobicContact CD1-CG2 3.94Å; N244-I253 HydrophobicContact CB-CG1 3.78Å; N244-I253 WeakPolarHBondContact O-CG1 3.46Å; N244-I253 PolarHBondContact O-N 3.47Å; L249-I253 HydrophobicContact CD1-CG2 4.25Å; I253-E257 HydrophobicContact CB-CB 4.07Å; I253-E257 HydrophobicContact CD1-CB 4.28Å; I253-V258 HydrophobicContact CD1-CG2 3.96Å; I253-V258 HydrophobicContact CG1-CG2 4.33Å; I253-C437 HydrophobicContact CD1-CB 3.83Å; I253-V444 HydrophobicContact CD1-CG1 4.35Å; I253-V444 HydrophobicContact CD1-CG2 3.74Å
254S85.5Confident91.2Very high21 Ų2151.4 Ų51.415%0.14726%0.264CS..  trans-77.6158.9178.459.50000112I256 E257S254-I256 PolarHBondContact O-N 3.36Å; S254-I256 VanDerWaalsContact OG-CG2 3.27Å; S254-I256 WeakPolarHBondContact OG-CG2 3.22Å; S254-E257 PolarHBondContact N-OE2 2.88Å; S254-E257 WeakPolarHBondContact O-CA 3.38Å; S254-E257 WeakPolarHBondContact O-CB 3.5Å; S254-E257 PolarHBondContact O-N 2.86Å; S254-E257 WeakPolarHBondContact OG-CG 3.49Å; S254-E257 PolarHBondContact OG-OE2 3.07Å; S254-E257 VanDerWaalsContact OG-OE2 3.12Å
255D82Confident91.2Very high129 Ų12950.3 Ų50.369%0.6926%0.26SS*.G310 helixtrans-57.1-31.4178.7-65.8-47.5000113.6N244 E257 V258N244-D255 PolarHBondContact ND2-OD1 2.81Å; D255-E257 VanDerWaalsContact C-N 3.26Å; D255-E257 PolarHBondContact O-N 3.25Å; D255-V258 WeakPolarHBondContact O-CB 3.49Å; D255-V258 PolarHBondContact O-N 3.43Å; D255-V258 VanDerWaalsContact O-N 3.14Å
256I73.6Confident91.2Very high88 Ų8855.8 Ų55.845%0.45128%0.28SS..G310 helixtrans-70.6-23.5175.3-177.3161.8000112.7S254 V258 F605S254-I256 PolarHBondContact O-N 3.36Å; S254-I256 VanDerWaalsContact OG-CG2 3.27Å; S254-I256 WeakPolarHBondContact OG-CG2 3.22Å; I256-V258 PolarHBondContact O-N 3.43Å; I256-F605 HydrophobicContact CB-CE1 3.92Å; I256-F605 HydrophobicContact CB-CZ 3.76Å; I256-F605 HydrophobicContact CD1-CD2 3.94Å; I256-F605 HydrophobicContact CD1-CE1 4.03Å; I256-F605 HydrophobicContact CD1-CE2 3.16Å; I256-F605 HydrophobicContact CD1-CZ 3.22Å; I256-F605 HydrophobicContact CG1-CE2 4.38Å; I256-F605 HydrophobicContact CG1-CZ 4.01Å; I256-F605 HydrophobicContact CG2-CD1 4.36Å; I256-F605 HydrophobicContact CG2-CE1 3.77Å; I256-F605 HydrophobicContact CG2-CZ 4.07Å
257E82.7Confident91.3Very high11 Ų1157.8 Ų57.85%0.05129%0.293CS..G310 helixtrans-81.12.9174.2-65.6175.8133.100112I154 I253 S254 D255 C437 S438 R439I154-E257 WeakPolarHBondContact CG2-OE1 3.2Å; I253-E257 HydrophobicContact CB-CB 4.07Å; I253-E257 HydrophobicContact CD1-CB 4.28Å; S254-E257 PolarHBondContact N-OE2 2.88Å; S254-E257 WeakPolarHBondContact O-CA 3.38Å; S254-E257 WeakPolarHBondContact O-CB 3.5Å; S254-E257 PolarHBondContact O-N 2.86Å; S254-E257 WeakPolarHBondContact OG-CG 3.49Å; S254-E257 PolarHBondContact OG-OE2 3.07Å; S254-E257 VanDerWaalsContact OG-OE2 3.12Å; D255-E257 VanDerWaalsContact C-N 3.26Å; D255-E257 PolarHBondContact O-N 3.25Å; E257-C437 CarbonylContact O-C 3.08Å; E257-C437 WeakPolarHBondContact O-CA 3.28Å; E257-S438 WeakPolarHBondContact CA-OG 3.33Å; E257-S438 PolarHBondContact O-N 3.38Å; E257-S438 PolarHBondContact O-OG 3.03Å; E257-R439 IonicContact OE1-CZ 2.82Å; E257-R439 IonicContact OE1-NE 3.19Å; E257-R439 PolarHBondContact OE1-NE 3.24Å; E257-R439 VanDerWaalsContact OE1-NE 3.11Å; E257-R439 IonicContact OE1-NH2 3.75Å; E257-R439 PolarHBondContact OE1-NH2 3.35Å
258V91.2Very high91.3Very high16 Ų1663.3 Ų63.310%0.09732%0.321CS..EExtended strand (participates in β ladder)trans-102.5102.8174.4-171.80000109.8N244 I253 D255 I256 K260 P435 I436 V444N244-V258 HydrophobicContact CB-CG2 4.08Å; I253-V258 HydrophobicContact CD1-CG2 3.96Å; I253-V258 HydrophobicContact CG1-CG2 4.33Å; D255-V258 WeakPolarHBondContact O-CB 3.49Å; D255-V258 PolarHBondContact O-N 3.43Å; D255-V258 VanDerWaalsContact O-N 3.14Å; I256-V258 PolarHBondContact O-N 3.43Å; V258-K260 PolarHBondContact O-N 2.97Å; V258-P435 HydrophobicContact CG1-CB 3.37Å; V258-I436 CarbonylContact C-O 3.57Å; V258-I436 WeakPolarHBondContact CA-O 3.48Å; V258-V444 HydrophobicContact CG1-CG2 4.12Å; V258-V444 HydrophobicContact CG2-CG1 4.38Å; V258-V444 HydrophobicContact CG2-CG2 4.15Å
259D91.7Very high91.5Very high69 Ų6961.1 Ų61.137%0.36931%0.307SS..EExtended strand (participates in β ladder)trans-70.4116.1166.9-64.8-31.4000108.1Q261 I436 S438 K441D259-Q261 PolarHBondContact O-N 3.5Å; D259-I436 HydrophobicContact CB-CB 4.29Å; D259-I436 PolarHBondContact N-O 3.38Å; D259-I436 PolarHBondContact O-N 3.19Å; D259-S438 WeakPolarHBondContact OD2-CA 3.42Å; D259-S438 WeakPolarHBondContact OD2-CB 3.42Å; D259-K441 IonicContact OD2-NZ 2.75Å; D259-K441 PolarHBondContact OD2-NZ 3.26Å
260K93.2Very high91.5Very high167 Ų16770.7 Ų70.773%0.72634%0.343SS*.EExtended strand (participates in β ladder)trans-86.1101.2176.4-68.7-174.9-177.1-176.40109.9V258 I433V258-K260 PolarHBondContact O-N 2.97Å; K260-I433 HydrophobicContact CB-CG2 3.72Å; K260-I433 HydrophobicContact CD-CG2 4.5Å; K260-I433 HydrophobicContact CG-CG2 4.15Å
261Q94Very high91.6Very high77 Ų7766 Ų6636%0.3633%0.325SS..EExtended strand (participates in β ladder)trans-92.9114.5179.2-177171.6-1700111D259 L263 I433 V434 I436D259-Q261 PolarHBondContact O-N 3.5Å; Q261-L263 HydrophobicContact CG-CD2 3.99Å; Q261-I433 CarbonylContact O-C 3.49Å; Q261-I433 WeakPolarHBondContact O-CA 3.44Å; Q261-V434 PolarHBondContact N-O 2.92Å; Q261-V434 PolarHBondContact O-N 3.28Å; Q261-I436 HydrophobicContact CB-CD1 3.88Å
262E96Very high91.4Very high162 Ų16268 Ų6876%0.75734%0.338SS*.EExtended strand (participates in β ladder)trans-75.9130.2172.4-71.9174.8-165.200111.1I433E262-I433 HydrophobicContact CG-CG1 3.99Å
263L96.1Very high91.2Very high13 Ų1370.8 Ų70.87%0.06837%0.368CS..EExtended strand (participates in β ladder)trans-118.5134.5174.9-55-176.5000109Q261 T267 L269 F280 P431 M432 V434Q261-L263 HydrophobicContact CG-CD2 3.99Å; L263-T267 HydrophobicContact CD2-CG2 4.06Å; L263-L269 HydrophobicContact CD1-CD1 4.37Å; L263-F280 HydrophobicContact CD1-CB 3.66Å; L263-P431 CarbonylContact O-C 3.58Å; L263-P431 WeakPolarHBondContact O-CA 3.37Å; L263-M432 HydrophobicContact CB-CG 4.36Å; L263-M432 HydrophobicContact CD1-CG 4.25Å; L263-M432 PolarHBondContact N-O 2.79Å; L263-M432 PolarHBondContact O-N 3.42Å; L263-V434 HydrophobicContact CD1-CB 4.49Å; L263-V434 HydrophobicContact CD1-CG2 3.44Å; L263-V434 VanDerWaalsContact CD1-CG2 3.44Å; L263-V434 HydrophobicContact CG-CG2 4.09Å
264S95.2Very high91.2Very high112 Ų11271.9 Ų71.978%0.78337%0.371SS*.SBendtrans-83.6-12.2176.354.30000113.9P431S264-P431 WeakPolarHBondContact O-CG 3.46Å
265G94.7Very high91.4Very high6 Ų679 Ų796%0.06241%0.408CS..SBendtrans170.7-157.2-174.700000111.1T267 G281G265-T267 PolarHBondContact O-N 2.91Å; G265-T267 PolarHBondContact O-OG1 2.74Å; G265-G281 CarbonylContact C-O 3.49Å; G265-G281 VanDerWaalsContact C-O 3.32Å
266R97.1Very high91.9Very high114 Ų11480.9 Ų80.943%0.4341%0.41SS..  trans-59115-173.9-178.6-177.4-55.3-131-7.1111.1F280 G281 V282 E427 D429R266-F280 CarbonylContact C-O 3.58Å; R266-F280 VanDerWaalsContact CA-O 3.32Å; R266-F280 WeakPolarHBondContact CA-O 3.28Å; R266-G281 PolarHBondContact N-O 3.15Å; R266-V282 HydrophobicContact CB-CG2 3.89Å; R266-V282 HydrophobicContact CG-CG2 3.68Å; R266-E427 IonicContact CZ-OE1 3.39Å; R266-E427 VanDerWaalsContact CZ-OE1 3.26Å; R266-E427 IonicContact NH1-OE1 2.7Å; R266-E427 PolarHBondContact NH1-OE1 3.49Å; R266-E427 IonicContact NH2-OE1 3.08Å; R266-E427 PolarHBondContact NH2-OE1 3.44Å; R266-D429 VanDerWaalsContact CB-OD1 3.28Å; R266-D429 WeakPolarHBondContact CB-OD1 3.21Å; R266-D429 WeakPolarHBondContact CB-OD2 3.2Å; R266-D429 PolarHBondContact N-OD2 3.07Å; R266-D429 VanDerWaalsContact N-OD2 3.11Å; R266-D429 IonicContact NE-OD1 2.76Å; R266-D429 PolarHBondContact NE-OD1 2.66Å; R266-D429 IonicContact NH2-OD1 3.82Å
267T97.2Very high92.8Very high43 Ų4380.5 Ų80.526%0.26441%0.413SS..EExtended strand (participates in β ladder)trans-131.3130.8-178.1-53.50000109.9L263 G265 L269 F280L263-T267 HydrophobicContact CD2-CG2 4.06Å; G265-T267 PolarHBondContact O-N 2.91Å; G265-T267 PolarHBondContact O-OG1 2.74Å; T267-L269 HydrophobicContact CG2-CD2 3.85Å; T267-L269 HydrophobicContact CG2-CG 4.39Å; T267-F280 PolarHBondContact N-O 2.87Å; T267-F280 PolarHBondContact O-N 3.1Å
268L95.8Very high93.5Very high118 Ų11880.8 Ų80.862%0.61842%0.415SS*.EExtended strand (participates in β ladder)trans-86.7114.1174.9-65.8178.9000109.9P277 V278 A279L268-P277 HydrophobicContact CB-CB 3.92Å; L268-V278 WeakPolarHBondContact CA-O 3.42Å; L268-A279 HydrophobicContact CD2-CB 3.87Å
269L94.4Very high93.7Very high21 Ų2181.7 Ų81.711%0.1143%0.425CS..EExtended strand (participates in β ladder)trans-108.8142178.4-59.3-179.1000111L263 T267 P277 V278 F280 V434L263-L269 HydrophobicContact CD1-CD1 4.37Å; T267-L269 HydrophobicContact CG2-CD2 3.85Å; T267-L269 HydrophobicContact CG2-CG 4.39Å; L269-P277 CarbonylContact O-C 3.5Å; L269-P277 WeakPolarHBondContact O-CA 3.49Å; L269-V278 PolarHBondContact N-O 2.94Å; L269-V278 PolarHBondContact O-N 2.71Å; L269-F280 HydrophobicContact CB-CD2 3.81Å; L269-F280 HydrophobicContact CB-CE2 3.99Å; L269-F280 HydrophobicContact CD1-CB 4.36Å; L269-F280 HydrophobicContact CD1-CD2 3.71Å; L269-F280 HydrophobicContact CD1-CE2 4.3Å; L269-F280 HydrophobicContact CD1-CG 4.15Å; L269-F280 HydrophobicContact CG-CD2 3.88Å; L269-V434 HydrophobicContact CD1-CG1 4.26Å
270R92Very high93.9Very high208 Ų20879 Ų7979%0.78541%0.41SS*.  trans-82.5121.9173.6-170.5174.5-173.5177.20.8109.2
271V93.5Very high94.1Very high2 Ų271 Ų711%0.01238%0.375CS..  trans-109.2134.1178.9-177.10000109.4G273 Y274 V278 F280 F408 D442 I443V271-G273 PolarHBondContact O-N 3.33Å; V271-Y274 HydrophobicContact CB-CD2 3.62Å; V271-Y274 HydrophobicContact CB-CE2 4.17Å; V271-Y274 HydrophobicContact CB-CG 4.28Å; V271-Y274 HydrophobicContact CG1-CD2 3.46Å; V271-Y274 VanDerWaalsContact CG1-CD2 3.46Å; V271-Y274 HydrophobicContact CG1-CE2 3.57Å; V271-Y274 PolarHBondContact O-N 3.14Å; V271-V278 HydrophobicContact CB-CG2 4.48Å; V271-V278 HydrophobicContact CG2-CB 4.11Å; V271-V278 HydrophobicContact CG2-CG2 4.02Å; V271-F280 HydrophobicContact CG2-CE2 4.02Å; V271-F280 HydrophobicContact CG2-CZ 4.21Å; V271-F408 HydrophobicContact CB-CD2 4.46Å; V271-F408 HydrophobicContact CB-CE2 4.4Å; V271-F408 HydrophobicContact CG1-CD2 4.12Å; V271-F408 HydrophobicContact CG1-CE2 3.76Å; V271-F408 HydrophobicContact CG2-CD2 4.18Å; V271-F408 HydrophobicContact CG2-CE2 4.01Å; V271-D442 WeakPolarHBondContact CG1-OD1 3.47Å; V271-I443 HydrophobicContact CG2-CG1 4.01Å
272P89Confident94.2Very high42 Ų4268.2 Ų68.227%0.27336%0.363SS..THydrogen-bonded Turntrans-54.8135.7174-23.834.4000112.3T248 Y274 S440 D442T248-P272 HydrophobicContact CG2-CB 4.48Å; P272-Y274 WeakPolarHBondContact O-CD2 3.39Å; P272-S440 VanDerWaalsContact CG-O 3.3Å; P272-S440 WeakPolarHBondContact CG-O 3.29Å; P272-D442 HydrophobicContact CG-CB 4.02Å
273G88.9Confident94.1Very high61 Ų6160.8 Ų60.863%0.62933%0.329SS*.THydrogen-bonded Turntrans86.1-2.5-178.800000115.6V271 Q406V271-G273 PolarHBondContact O-N 3.33Å; G273-Q406 PolarHBondContact O-NE2 3.16Å; G273-Q406 VanDerWaalsContact O-NE2 3.09Å
274Y92.6Very high94.1Very high29 Ų2960.7 Ų60.711%0.11433%0.329CS..  trans-110.1137.3179.1-66.2-98.7000112.1V271 P272 V278 Q406 R407 F408 V409V271-Y274 HydrophobicContact CB-CD2 3.62Å; V271-Y274 HydrophobicContact CB-CE2 4.17Å; V271-Y274 HydrophobicContact CB-CG 4.28Å; V271-Y274 HydrophobicContact CG1-CD2 3.46Å; V271-Y274 VanDerWaalsContact CG1-CD2 3.46Å; V271-Y274 HydrophobicContact CG1-CE2 3.57Å; V271-Y274 PolarHBondContact O-N 3.14Å; P272-Y274 WeakPolarHBondContact O-CD2 3.39Å; Y274-V278 HydrophobicContact CD1-CG2 4.22Å; Y274-V278 HydrophobicContact CG-CG2 4.34Å; Y274-Q406 VanDerWaalsContact CD1-OE1 3.28Å; Y274-Q406 HydrophobicContact CE1-CB 3.65Å; Y274-Q406 HydrophobicContact CE1-CG 4.43Å; Y274-Q406 VanDerWaalsContact CE1-OE1 3.22Å; Y274-R407 VanDerWaalsContact OH-CG 3.32Å; Y274-R407 WeakPolarHBondContact OH-CG 3.43Å; Y274-R407 PolarHBondContact OH-N 3.34Å; Y274-F408 HydrophobicContact CD1-CB 4.35Å; Y274-F408 HydrophobicContact CD2-CD2 4.37Å; Y274-F408 HydrophobicContact CE1-CB 3.63Å; Y274-F408 AromaticContact CE1-CD2 3.87Å; Y274-F408 HydrophobicContact CE1-CD2 3.87Å; Y274-F408 HydrophobicContact CE1-CG 4.22Å; Y274-F408 AromaticContact CE2-CD2 3.67Å; Y274-F408 HydrophobicContact CE2-CD2 3.67Å; Y274-F408 HydrophobicContact CE2-CE2 4.22Å; Y274-F408 AromaticContact CZ-CD2 3.37Å; Y274-F408 WeakPolarHBondContact OH-CD2 3.48Å; Y274-F408 PolarHBondContact OH-N 3.39Å; Y274-V409 HydrophobicContact CD1-CG2 4.48Å; Y274-V409 HydrophobicContact CE1-CG2 4.25Å
275N89.1Confident94.2Very high171 Ų17156.5 Ų56.591%0.91430%0.299SS*.SBendtrans-78.2-23-179.8-65.8-23.8000113.4
276K92Very high94.3Very high169 Ų16956.2 Ų56.274%0.73530%0.296SS*.SBendtrans-122.7146.9-179.1-64.4-178.9-178.3179.20109.6
277P93.8Very high94.2Very high80 Ų8050.8 Ų50.852%0.51928%0.276SS..  trans-56.1144.5167.8-23.134.3000111.3L268 L269L268-P277 HydrophobicContact CB-CB 3.92Å; L269-P277 CarbonylContact O-C 3.5Å; L269-P277 WeakPolarHBondContact O-CA 3.49Å
278V96Very high94.1Very high16 Ų1648.7 Ų48.710%0.09726%0.263CS..EExtended strand (participates in β ladder)trans-104.9137-178.7176.70000109.1L268 L269 V271 Y274 F280 F408L268-V278 WeakPolarHBondContact CA-O 3.42Å; L269-V278 PolarHBondContact N-O 2.94Å; L269-V278 PolarHBondContact O-N 2.71Å; V271-V278 HydrophobicContact CB-CG2 4.48Å; V271-V278 HydrophobicContact CG2-CB 4.11Å; V271-V278 HydrophobicContact CG2-CG2 4.02Å; Y274-V278 HydrophobicContact CD1-CG2 4.22Å; Y274-V278 HydrophobicContact CG-CG2 4.34Å; V278-F280 HydrophobicContact CB-CD2 4.47Å; V278-F280 HydrophobicContact CB-CE2 3.71Å; V278-F280 HydrophobicContact CB-CZ 4.27Å; V278-F280 HydrophobicContact CG1-CD2 4.27Å; V278-F280 HydrophobicContact CG1-CE2 3.57Å; V278-F280 HydrophobicContact CG1-CZ 3.76Å; V278-F280 WeakPolarHBondContact O-CD2 3.2Å; V278-F408 HydrophobicContact CB-CB 4.4Å; V278-F408 HydrophobicContact CB-CG 4.45Å; V278-F408 HydrophobicContact CG1-CB 3.66Å; V278-F408 HydrophobicContact CG1-CD1 3.98Å; V278-F408 HydrophobicContact CG1-CD2 4.16Å; V278-F408 HydrophobicContact CG1-CG 3.66Å; V278-F408 HydrophobicContact CG2-CB 3.8Å; V278-F408 HydrophobicContact CG2-CD2 4.02Å; V278-F408 HydrophobicContact CG2-CG 4.1Å
279A95.7Very high94Very high36 Ų3645.1 Ų45.130%0.29825%0.247SC..EExtended strand (participates in β ladder)trans-78.3128.2177.100000111.8L268 R411L268-A279 HydrophobicContact CD2-CB 3.87Å; A279-R411 PolarHBondContact O-NH1 3.29Å
280F96.7Very high93.8Very high11 Ų1145 Ų455%0.04825%0.246CC..EExtended strand (participates in β ladder)trans-124169.9169.4-64.4-90.2000109.7L263 R266 T267 L269 V271 V278 V282 F408 V434 I443L263-F280 HydrophobicContact CD1-CB 3.66Å; R266-F280 CarbonylContact C-O 3.58Å; R266-F280 VanDerWaalsContact CA-O 3.32Å; R266-F280 WeakPolarHBondContact CA-O 3.28Å; T267-F280 PolarHBondContact N-O 2.87Å; T267-F280 PolarHBondContact O-N 3.1Å; L269-F280 HydrophobicContact CB-CD2 3.81Å; L269-F280 HydrophobicContact CB-CE2 3.99Å; L269-F280 HydrophobicContact CD1-CB 4.36Å; L269-F280 HydrophobicContact CD1-CD2 3.71Å; L269-F280 HydrophobicContact CD1-CE2 4.3Å; L269-F280 HydrophobicContact CD1-CG 4.15Å; L269-F280 HydrophobicContact CG-CD2 3.88Å; V271-F280 HydrophobicContact CG2-CE2 4.02Å; V271-F280 HydrophobicContact CG2-CZ 4.21Å; V278-F280 HydrophobicContact CB-CD2 4.47Å; V278-F280 HydrophobicContact CB-CE2 3.71Å; V278-F280 HydrophobicContact CB-CZ 4.27Å; V278-F280 HydrophobicContact CG1-CD2 4.27Å; V278-F280 HydrophobicContact CG1-CE2 3.57Å; V278-F280 HydrophobicContact CG1-CZ 3.76Å; V278-F280 WeakPolarHBondContact O-CD2 3.2Å; F280-V282 VanDerWaalsContact C-N 3.34Å; F280-F408 AromaticContact CE1-CE1 3.9Å; F280-F408 HydrophobicContact CE1-CE1 3.9Å; F280-F408 HydrophobicContact CE1-CZ 4.08Å; F280-F408 HydrophobicContact CZ-CD1 4.29Å; F280-F408 AromaticContact CZ-CE1 3.82Å; F280-F408 HydrophobicContact CZ-CE1 3.82Å; F280-F408 HydrophobicContact CZ-CE2 4.13Å; F280-F408 AromaticContact CZ-CZ 3.74Å; F280-F408 HydrophobicContact CZ-CZ 3.74Å; F280-V434 HydrophobicContact CB-CG2 4.06Å; F280-V434 HydrophobicContact CD1-CG1 4.48Å; F280-V434 HydrophobicContact CD1-CG2 4.22Å; F280-V434 HydrophobicContact CG-CG2 4.3Å; F280-I443 HydrophobicContact CE1-CG1 4.11Å; F280-I443 HydrophobicContact CE1-CG2 4.4Å; F280-I443 HydrophobicContact CE2-CD1 4.43Å; F280-I443 HydrophobicContact CE2-CG1 4.28Å; F280-I443 HydrophobicContact CZ-CD1 4.15Å; F280-I443 HydrophobicContact CZ-CG1 3.62Å
281G95.8Very high93.5Very high0 Ų037.7 Ų37.70%022%0.223CC..SBendtrans72.129.6-17600000113.2G265 R266 N430 M432G265-G281 CarbonylContact C-O 3.49Å; G265-G281 VanDerWaalsContact C-O 3.32Å; R266-G281 PolarHBondContact N-O 3.15Å; G281-N430 CarbonylContact C-O 3.59Å; G281-N430 VanDerWaalsContact CA-O 3.25Å; G281-N430 WeakPolarHBondContact CA-O 3.47Å; G281-N430 PolarHBondContact O-N 3.36Å; G281-M432 VanDerWaalsContact CA-SD 3.57Å; G281-M432 PolarHBondContact N-SD 2.95Å
282V96.1Very high92.8Very high18 Ų1842.8 Ų42.811%0.10926%0.255CS..EExtended strand (participates in β ladder)trans-121.4130.6176.7-179.10000107.8R266 F280 T308 E427R266-V282 HydrophobicContact CB-CG2 3.89Å; R266-V282 HydrophobicContact CG-CG2 3.68Å; F280-V282 VanDerWaalsContact C-N 3.34Å; V282-T308 WeakPolarHBondContact O-CA 3.38Å; V282-E427 HydrophobicContact CG1-CB 3.75Å; V282-E427 HydrophobicContact CG1-CG 4.11Å
283I94.8Very high92Very high6 Ų642.4 Ų42.43%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-107.6124170.4-164.5174.7000108.9A306 T308 F358 E427 K428 N430I283-A306 HydrophobicContact CD1-CB 3.77Å; I283-A306 HydrophobicContact CG1-CB 3.96Å; I283-T308 HydrophobicContact CB-CG2 4.15Å; I283-T308 HydrophobicContact CG1-CG2 4.21Å; I283-F358 HydrophobicContact CD1-CE1 4.44Å; I283-F358 HydrophobicContact CD1-CZ 4.37Å; I283-E427 VanDerWaalsContact O-CA 3.28Å; I283-E427 WeakPolarHBondContact O-CA 3.47Å; I283-K428 HydrophobicContact CG2-CD 4.21Å; I283-K428 HydrophobicContact CG2-CG 3.41Å; I283-K428 VanDerWaalsContact CG2-CG 3.41Å; I283-K428 PolarHBondContact N-O 3.04Å; I283-K428 PolarHBondContact O-N 3.05Å; I283-N430 HydrophobicContact CB-CB 3.71Å; I283-N430 HydrophobicContact CG2-CB 3.7Å
284T96.1Very high91.1Very high12 Ų1246 Ų467%0.07426%0.264CS..EExtended strand (participates in β ladder)trans-104.8130.1-178.1-60.90000109.6A306 T307 L310 Y424T284-A306 CarbonylContact O-C 3.57Å; T284-A306 VanDerWaalsContact O-CA 3.31Å; T284-A306 WeakPolarHBondContact O-CA 3.26Å; T284-T307 PolarHBondContact N-O 2.76Å; T284-T307 PolarHBondContact O-N 2.97Å; T284-L310 HydrophobicContact CG2-CD1 4.15Å; T284-L310 HydrophobicContact CG2-CD2 4.17Å; T284-Y424 HydrophobicContact CG2-CD2 3.92Å; T284-Y424 HydrophobicContact CG2-CE2 3.46Å; T284-Y424 VanDerWaalsContact CG2-CE2 3.46Å
285S97.3Very high90Very high23 Ų2349.5 Ų49.516%0.16129%0.292CS..EExtended strand (participates in β ladder)trans-97.8136172.6-55.80000110V305 R425 G426S285-V305 VanDerWaalsContact CA-O 3.29Å; S285-V305 WeakPolarHBondContact CA-O 3.34Å; S285-R425 CarbonylContact O-C 3.58Å; S285-R425 WeakPolarHBondContact O-CA 3.4Å; S285-R425 PolarHBondContact O-N 3.39Å; S285-G426 PolarHBondContact N-O 3.3Å
286F96.5Very high88.8Confident0 Ų045.9 Ų45.90%027%0.268CS..EExtended strand (participates in β ladder)trans-150.7159.817672.7-84.5000111.2Y288 V304 V305 T307 L310 M313 K364 L418 L423F286-Y288 HydrophobicContact CD2-CE2 4.5Å; F286-Y288 AromaticContact CE2-CD2 3.94Å; F286-Y288 HydrophobicContact CE2-CD2 3.94Å; F286-Y288 HydrophobicContact CE2-CE1 4.19Å; F286-Y288 AromaticContact CE2-CE2 3.4Å; F286-Y288 HydrophobicContact CE2-CE2 3.4Å; F286-Y288 AromaticContact CE2-CZ 3.51Å; F286-Y288 HydrophobicContact CZ-CD2 4.49Å; F286-Y288 AromaticContact CZ-CE2 3.64Å; F286-Y288 HydrophobicContact CZ-CE2 3.64Å; F286-Y288 AromaticContact CZ-CZ 3.87Å; F286-V304 WeakPolarHBondContact O-CA 3.49Å; F286-V304 WeakPolarHBondContact O-CG1 3.47Å; F286-V305 HydrophobicContact CD1-CG2 3.97Å; F286-V305 HydrophobicContact CD2-CG2 4.3Å; F286-V305 HydrophobicContact CE1-CG2 3.45Å; F286-V305 VanDerWaalsContact CE1-CG2 3.45Å; F286-V305 HydrophobicContact CE2-CG2 3.83Å; F286-V305 HydrophobicContact CG-CG2 4.37Å; F286-V305 HydrophobicContact CZ-CG2 3.38Å; F286-V305 PolarHBondContact N-O 3.4Å; F286-V305 PolarHBondContact O-N 2.78Å; F286-T307 HydrophobicContact CD1-CG2 4.31Å; F286-T307 HydrophobicContact CE1-CG2 3.76Å; F286-L310 HydrophobicContact CD1-CD1 3.7Å; F286-L310 HydrophobicContact CE1-CD1 3.86Å; F286-L310 HydrophobicContact CG-CD1 4.43Å; F286-M313 HydrophobicContact CE2-CE 3.78Å; F286-M313 HydrophobicContact CZ-CB 3.97Å; F286-M313 HydrophobicContact CZ-CE 4.09Å; F286-K364 HydrophobicContact CE1-CD 4.23Å; F286-K364 HydrophobicContact CZ-CD 4.15Å; F286-L418 HydrophobicContact CB-CD1 3.9Å; F286-L418 HydrophobicContact CD1-CD1 4.48Å; F286-L418 HydrophobicContact CD2-CD1 4.05Å; F286-L418 HydrophobicContact CD2-CD2 4.17Å; F286-L418 HydrophobicContact CG-CD1 3.89Å; F286-L423 CarbonylContact C-O 3.54Å; F286-L423 VanDerWaalsContact CA-O 3.26Å; F286-L423 WeakPolarHBondContact CA-O 3.24Å; F286-L423 WeakPolarHBondContact CB-O 2.93Å
287A95.6Very high87.2Confident0 Ų043.3 Ų43.30%028%0.279CS..EExtended strand (participates in β ladder)trans-105137.8-172.600000112.7E302 I303 V304 L423 R425A287-E302 HydrophobicContact CB-CB 4.06Å; A287-E302 HydrophobicContact CB-CG 4.18Å; A287-I303 WeakPolarHBondContact CA-O 3.47Å; A287-V304 HydrophobicContact CB-CG2 4.25Å; A287-L423 HydrophobicContact CB-CB 4.47Å; A287-L423 HydrophobicContact CB-CD2 4Å; A287-L423 PolarHBondContact N-O 3.07Å; A287-R425 HydrophobicContact CB-CG 4.38Å
288Y95.6Very high85.4Confident0 Ų048.4 Ų48.40%030%0.296CS..EExtended strand (participates in β ladder)trans-99.6125165.9-81.6-72.3000110.4F286 L290 E302 I303 V305 M313 D316 V319 I336 P339 I346 K364F286-Y288 HydrophobicContact CD2-CE2 4.5Å; F286-Y288 AromaticContact CE2-CD2 3.94Å; F286-Y288 HydrophobicContact CE2-CD2 3.94Å; F286-Y288 HydrophobicContact CE2-CE1 4.19Å; F286-Y288 AromaticContact CE2-CE2 3.4Å; F286-Y288 HydrophobicContact CE2-CE2 3.4Å; F286-Y288 AromaticContact CE2-CZ 3.51Å; F286-Y288 HydrophobicContact CZ-CD2 4.49Å; F286-Y288 AromaticContact CZ-CE2 3.64Å; F286-Y288 HydrophobicContact CZ-CE2 3.64Å; F286-Y288 AromaticContact CZ-CZ 3.87Å; Y288-L290 PolarHBondContact O-N 2.92Å; Y288-E302 CarbonylContact O-C 3.58Å; Y288-E302 VanDerWaalsContact O-CA 3.24Å; Y288-E302 WeakPolarHBondContact O-CA 3.33Å; Y288-I303 PolarHBondContact N-O 2.68Å; Y288-I303 PolarHBondContact O-N 2.94Å; Y288-V305 HydrophobicContact CD2-CG1 4.24Å; Y288-V305 HydrophobicContact CD2-CG2 3.96Å; Y288-V305 HydrophobicContact CE2-CG2 3.78Å; Y288-M313 HydrophobicContact CE1-CE 4Å; Y288-M313 WeakPolarHBondContact OH-CE 3.5Å; Y288-D316 PolarHBondContact OH-OD2 2.89Å; Y288-V319 HydrophobicContact CD2-CG2 4.04Å; Y288-V319 HydrophobicContact CE2-CG2 4.13Å; Y288-I336 HydrophobicContact CD1-CD1 4.02Å; Y288-I336 HydrophobicContact CD1-CG1 4.33Å; Y288-I336 HydrophobicContact CD2-CD1 3.97Å; Y288-I336 HydrophobicContact CG-CD1 3.63Å; Y288-I336 HydrophobicContact CG-CG1 4.32Å; Y288-P339 HydrophobicContact CD1-CG 4.39Å; Y288-P339 VanDerWaalsContact CE1-CD 3.43Å; Y288-P339 HydrophobicContact CE1-CG 4.32Å; Y288-I346 HydrophobicContact CE1-CD1 4.12Å; Y288-K364 HydrophobicContact CE2-CB 4.45Å
289P92.8Very high83.8Confident43 Ų4349.7 Ų49.728%0.27931%0.305SS..EExtended strand (participates in β ladder)trans-66.5127.7173.8-19.631.9000111.7I336 K337 L423P289-I336 WeakPolarHBondContact O-CA 3.24Å; P289-I336 WeakPolarHBondContact O-CB 3.25Å; P289-K337 PolarHBondContact O-N 3.31Å; P289-L423 HydrophobicContact CG-CD1 4.1Å; P289-L423 HydrophobicContact CG-CD2 4.15Å
290L90.4Very high82.5Confident17 Ų1751.6 Ų51.69%0.08931%0.31CS..BIsolated β-bridgetrans-74.2145.1171.2-79.479.2000109.5Y288 D300 T301 I303 L331 I336Y288-L290 PolarHBondContact O-N 2.92Å; L290-D300 HydrophobicContact CD2-CB 4.31Å; L290-T301 PolarHBondContact N-O 2.84Å; L290-I303 HydrophobicContact CD1-CB 4.06Å; L290-I303 HydrophobicContact CD1-CG2 4.15Å; L290-I303 VanDerWaalsContact CD1-N 3.29Å; L290-L331 HydrophobicContact CD2-CD1 4.32Å; L290-L331 HydrophobicContact CD2-CD2 3.57Å; L290-L331 HydrophobicContact CD2-CG 4.49Å; L290-I336 HydrophobicContact CD1-CG2 4.42Å; L290-I336 HydrophobicContact CG-CG2 4.03Å
291L86.2Confident81.8Confident56 Ų5656.4 Ų56.429%0.29334%0.341SS..PPolyproline II helixtrans-63.5150.8165.1-68.3-177.8000109.5D293 R334 L335 K337 L345L291-D293 PolarHBondContact O-N 3.36Å; L291-R334 PolarHBondContact O-NH1 2.9Å; L291-R334 PolarHBondContact O-NH2 3.46Å; L291-L335 HydrophobicContact CD1-CB 3.85Å; L291-L335 PolarHBondContact N-O 3.08Å; L291-K337 HydrophobicContact CD2-CB 4.34Å; L291-L345 HydrophobicContact CD1-CD1 4.31Å; L291-L345 HydrophobicContact CD1-CD2 4.02Å; L291-L345 HydrophobicContact CD2-CD2 4.33Å; L291-L345 HydrophobicContact CG-CD2 4.49Å
292P77.5Confident81.6Confident108 Ų10859.2 Ų59.270%0.70135%0.354SS*.PPolyproline II helixtrans-59.6137.5174.2-20.631.8000110.8P294P292-P294 WeakPolarHBondContact O-CD 3.18Å
293D73.3Confident81.5Confident35 Ų3558.5 Ų58.519%0.18735%0.349CS..  trans-97109.1167-171.7-17.4000108.4L291 S295 K296L291-D293 PolarHBondContact O-N 3.36Å; D293-S295 VanDerWaalsContact CG-OG 3.25Å; D293-S295 PolarHBondContact O-N 3.28Å; D293-S295 WeakPolarHBondContact OD1-CB 3.28Å; D293-S295 PolarHBondContact OD1-N 3.35Å; D293-S295 PolarHBondContact OD1-OG 3.15Å; D293-S295 PolarHBondContact OD2-OG 3.41Å; D293-K296 PolarHBondContact O-N 3.36Å
294P68.8Low81.5Confident137 Ų13759.9 Ų59.989%0.8936%0.358SS*.THydrogen-bonded Turntrans-59.7-19.6179.9-20.531.2000113.5P292P292-P294 WeakPolarHBondContact O-CD 3.18Å
295S69.4Low81.5Confident101 Ų10159.3 Ų59.371%0.70635%0.354SS*.THydrogen-bonded Turntrans-88.6-6.2-175.271.80000114.7D293D293-S295 VanDerWaalsContact CG-OG 3.25Å; D293-S295 PolarHBondContact O-N 3.28Å; D293-S295 WeakPolarHBondContact OD1-CB 3.28Å; D293-S295 PolarHBondContact OD1-N 3.35Å; D293-S295 PolarHBondContact OD1-OG 3.15Å; D293-S295 PolarHBondContact OD2-OG 3.41Å
296K64.4Low81.3Confident95 Ų9559 Ų5941%0.41335%0.354SS..  trans-129.6122-176.7-66.3-177.3-177.7177.80111.7D293 E298D293-K296 PolarHBondContact O-N 3.36Å; K296-E298 VanDerWaalsContact C-N 3.34Å
297A57.8Low81.2Confident116 Ų11659.7 Ų59.796%0.95936%0.358SS*.SBendtrans-70.3-29.4177.300000113.1
298E57.2Low81.2Confident187 Ų18761.8 Ų61.887%0.87437%0.37SS*.SBendtrans-116.791.4171.1-71.6179.2171.200107.9K296K296-E298 VanDerWaalsContact C-N 3.34Å
299S62.5Low81.1Confident42 Ų4263.7 Ų63.729%0.29438%0.378SS..  trans-104139.8172.367.30000109.8T301S299-T301 PolarHBondContact O-N 3.29Å
300D67.8Low81.3Confident77 Ų7761.8 Ų61.841%0.41237%0.365SS..  trans-51.1131.4167.8-61.8-54.3000110.3L290 H330 L331L290-D300 HydrophobicContact CD2-CB 4.31Å; D300-H330 IonicContact OD2-CD2 2.7Å; D300-H330 IonicContact OD2-CE1 2.8Å; D300-H330 IonicContact OD2-NE2 3.6Å; D300-H330 PolarHBondContact OD2-NE2 3.1Å; D300-L331 HydrophobicContact CB-CD2 4.49Å
301T81.9Confident81.6Confident111 Ų11161 Ų6168%0.68136%0.361SS*.  trans-85.9-26.8-176.254.80000112.2L290 S299L290-T301 PolarHBondContact N-O 2.84Å; S299-T301 PolarHBondContact O-N 3.29Å
302E91.3Very high82.1Confident60 Ų6058.5 Ų58.528%0.2835%0.348SS..EExtended strand (participates in β ladder)trans-148.1157.9-176.268.3-177.8-141.700113.4A287 Y288 R425A287-E302 HydrophobicContact CB-CB 4.06Å; A287-E302 HydrophobicContact CB-CG 4.18Å; Y288-E302 CarbonylContact O-C 3.58Å; Y288-E302 VanDerWaalsContact O-CA 3.24Å; Y288-E302 WeakPolarHBondContact O-CA 3.33Å; E302-R425 VanDerWaalsContact CD-NH2 3.3Å; E302-R425 IonicContact OE1-CZ 3.78Å; E302-R425 IonicContact OE1-NE 3.26Å; E302-R425 PolarHBondContact OE1-NE 3.08Å; E302-R425 IonicContact OE1-NH2 3.48Å; E302-R425 PolarHBondContact OE1-NH2 3.05Å; E302-R425 VanDerWaalsContact OE1-NH2 3.08Å; E302-R425 IonicContact OE2-CZ 3.99Å; E302-R425 IonicContact OE2-NE 2.58Å; E302-R425 IonicContact OE2-NH2 3.22Å; E302-R425 PolarHBondContact OE2-NH2 3.02Å
303I93.9Very high83Confident2 Ų253.4 Ų53.41%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-120.3125.8166.7-174.9168.1000108.7A287 Y288 L290 V319 V321 Y328 L331 I336 I348 A362A287-I303 WeakPolarHBondContact CA-O 3.47Å; Y288-I303 PolarHBondContact N-O 2.68Å; Y288-I303 PolarHBondContact O-N 2.94Å; L290-I303 HydrophobicContact CD1-CB 4.06Å; L290-I303 HydrophobicContact CD1-CG2 4.15Å; L290-I303 VanDerWaalsContact CD1-N 3.29Å; I303-V319 HydrophobicContact CD1-CG1 3.95Å; I303-V321 HydrophobicContact CD1-CG1 4.02Å; I303-Y328 HydrophobicContact CD1-CD1 4.21Å; I303-Y328 HydrophobicContact CG1-CD1 4.42Å; I303-Y328 HydrophobicContact CG1-CE1 4.32Å; I303-L331 HydrophobicContact CD1-CD1 4.12Å; I303-I336 HydrophobicContact CG2-CD1 4.28Å; I303-I336 HydrophobicContact CG2-CG2 4.02Å; I303-I348 HydrophobicContact CD1-CD1 4.1Å; I303-I348 HydrophobicContact CG2-CD1 4.36Å; I303-A362 HydrophobicContact CD1-CB 3.94Å; I303-A362 HydrophobicContact CG1-CB 4.07Å
304V95.2Very high84.1Confident35 Ų3551.7 Ų51.721%0.21231%0.306CS..EExtended strand (participates in β ladder)trans-94.2127-178.1-170.80000109.7F286 A287 T360 R425F286-V304 WeakPolarHBondContact O-CA 3.49Å; F286-V304 WeakPolarHBondContact O-CG1 3.47Å; A287-V304 HydrophobicContact CB-CG2 4.25Å; V304-T360 HydrophobicContact CB-CG2 4.33Å; V304-T360 HydrophobicContact CG1-CG2 3.99Å; V304-T360 WeakPolarHBondContact O-CB 3.2Å; V304-T360 PolarHBondContact O-OG1 3.15Å; V304-R425 HydrophobicContact CG1-CB 4.13Å; V304-R425 HydrophobicContact CG1-CG 3.95Å; V304-R425 HydrophobicContact CG2-CG 4.28Å
305V95.9Very high85.4Confident0 Ų045.2 Ų45.20%026%0.264CS..EExtended strand (participates in β ladder)trans-115.9159.9175.3-59.80000110.2S285 F286 Y288 V319 A362 K364S285-V305 VanDerWaalsContact CA-O 3.29Å; S285-V305 WeakPolarHBondContact CA-O 3.34Å; F286-V305 HydrophobicContact CD1-CG2 3.97Å; F286-V305 HydrophobicContact CD2-CG2 4.3Å; F286-V305 HydrophobicContact CE1-CG2 3.45Å; F286-V305 VanDerWaalsContact CE1-CG2 3.45Å; F286-V305 HydrophobicContact CE2-CG2 3.83Å; F286-V305 HydrophobicContact CG-CG2 4.37Å; F286-V305 HydrophobicContact CZ-CG2 3.38Å; F286-V305 PolarHBondContact N-O 3.4Å; F286-V305 PolarHBondContact O-N 2.78Å; Y288-V305 HydrophobicContact CD2-CG1 4.24Å; Y288-V305 HydrophobicContact CD2-CG2 3.96Å; Y288-V305 HydrophobicContact CE2-CG2 3.78Å; V305-V319 HydrophobicContact CG1-CG1 3.91Å; V305-V319 HydrophobicContact CG1-CG2 4.24Å; V305-A362 HydrophobicContact CG1-CB 4.08Å; V305-K364 HydrophobicContact CG2-CB 4.25Å
306A94Very high86.7Confident18 Ų1840.4 Ų40.415%0.14923%0.23CC..EExtended strand (participates in β ladder)trans-122.7139.5175.600000111.4I283 T284 T360I283-A306 HydrophobicContact CD1-CB 3.77Å; I283-A306 HydrophobicContact CG1-CB 3.96Å; T284-A306 CarbonylContact O-C 3.57Å; T284-A306 VanDerWaalsContact O-CA 3.31Å; T284-A306 WeakPolarHBondContact O-CA 3.26Å; A306-T360 HydrophobicContact CB-CG2 4.28Å
307T94.5Very high88.3Confident14 Ų1436.2 Ų36.29%0.08621%0.213CC..EExtended strand (participates in β ladder)trans-146.9146.8179.8-179.50000112.5T284 F286 R309 L310 K364T284-T307 PolarHBondContact N-O 2.76Å; T284-T307 PolarHBondContact O-N 2.97Å; F286-T307 HydrophobicContact CD1-CG2 4.31Å; F286-T307 HydrophobicContact CE1-CG2 3.76Å; T307-R309 PolarHBondContact OG1-N 2.69Å; T307-R309 PolarHBondContact OG1-O 3.12Å; T307-L310 HydrophobicContact CG2-CB 4.35Å; T307-L310 HydrophobicContact CG2-CD1 3.85Å; T307-K364 VanDerWaalsContact CB-CE 3.43Å; T307-K364 HydrophobicContact CG2-CD 4.07Å; T307-K364 WeakPolarHBondContact OG1-CE 3.46Å
308T93.8Very high90.1Very high43 Ų4330.7 Ų30.726%0.26417%0.167SC..SBendtrans-90.1-7.9168.956.30000113.1V282 I283 M432V282-T308 WeakPolarHBondContact O-CA 3.38Å; I283-T308 HydrophobicContact CB-CG2 4.15Å; I283-T308 HydrophobicContact CG1-CG2 4.21Å; T308-M432 HydrophobicContact CG2-SD 4.48Å
309R94.9Very high92Very high40 Ų4021.8 Ų21.815%0.15113%0.125CC..  trans-127.269.4-175.8-61.3-168.663.5-162.6-6.3110.7T307 E311 T312 H369 E445T307-R309 PolarHBondContact OG1-N 2.69Å; T307-R309 PolarHBondContact OG1-O 3.12Å; R309-E311 VanDerWaalsContact C-N 3.26Å; R309-E311 VanDerWaalsContact C-OE2 3.29Å; R309-E311 IonicContact NE-OE1 3.77Å; R309-E311 PolarHBondContact O-N 2.84Å; R309-T312 HydrophobicContact CB-CG2 3.94Å; R309-T312 PolarHBondContact O-N 3.47Å; R309-T312 VanDerWaalsContact O-N 3.11Å; R309-T312 PolarHBondContact O-OG1 3.13Å; R309-H369 PolarHBondContact NH1-O 2.92Å; R309-E445 IonicContact CZ-OE2 3.26Å; R309-E445 IonicContact NH1-OE2 2.9Å; R309-E445 IonicContact NH2-OE1 2.74Å; R309-E445 IonicContact NH2-OE2 3.26Å; R309-E445 PolarHBondContact NH2-OE2 3.35Å
310L96.3Very high93.7Very high4 Ų419.8 Ų19.82%0.02111%0.111CC..G310 helixtrans-61.6-32.3-173.9-167.467.8000112.9T284 F286 T307 T312 M313 R411 V414 R415 L418T284-L310 HydrophobicContact CG2-CD1 4.15Å; T284-L310 HydrophobicContact CG2-CD2 4.17Å; F286-L310 HydrophobicContact CD1-CD1 3.7Å; F286-L310 HydrophobicContact CE1-CD1 3.86Å; F286-L310 HydrophobicContact CG-CD1 4.43Å; T307-L310 HydrophobicContact CG2-CB 4.35Å; T307-L310 HydrophobicContact CG2-CD1 3.85Å; L310-T312 PolarHBondContact O-N 2.98Å; L310-M313 HydrophobicContact CD1-CG 4.42Å; L310-M313 VanDerWaalsContact O-CB 3.31Å; L310-M313 WeakPolarHBondContact O-CB 3.26Å; L310-M313 WeakPolarHBondContact O-CG 3.16Å; L310-M313 PolarHBondContact O-N 3.39Å; L310-M313 VanDerWaalsContact O-N 3.09Å; L310-R411 HydrophobicContact CB-CG 4.08Å; L310-V414 HydrophobicContact CD1-CG1 4.37Å; L310-V414 HydrophobicContact CD2-CB 4.47Å; L310-V414 HydrophobicContact CD2-CG1 4.07Å; L310-V414 HydrophobicContact CG-CB 4.4Å; L310-V414 HydrophobicContact CG-CG1 3.73Å; L310-R415 HydrophobicContact CD2-CB 3.65Å; L310-R415 HydrophobicContact CD2-CG 4.23Å; L310-L418 HydrophobicContact CD1-CD1 3.87Å; L310-L418 HydrophobicContact CD2-CD1 4.33Å; L310-L418 HydrophobicContact CG-CD1 4.42Å
311E96.8Very high95.1Very high0 Ų016.1 Ų16.10%09%0.092CC..G310 helixtrans-58.8-29.2175.167.8-77.5-17000113.9R309 M313 I388 R407 A410 R411R309-E311 VanDerWaalsContact C-N 3.26Å; R309-E311 VanDerWaalsContact C-OE2 3.29Å; R309-E311 IonicContact NE-OE1 3.77Å; R309-E311 PolarHBondContact O-N 2.84Å; E311-M313 VanDerWaalsContact C-N 3.25Å; E311-M313 PolarHBondContact O-N 3.35Å; E311-I388 HydrophobicContact CG-CD1 4.31Å; E311-R407 VanDerWaalsContact CB-O 3.22Å; E311-R407 WeakPolarHBondContact CB-O 3.4Å; E311-R407 HydrophobicContact CG-CB 4.49Å; E311-A410 HydrophobicContact CB-CB 4.45Å; E311-R411 HydrophobicContact CB-CB 4.04Å; E311-R411 IonicContact OE1-CZ 2.71Å; E311-R411 IonicContact OE1-NE 3.93Å; E311-R411 IonicContact OE1-NH2 2.61Å; E311-R411 PolarHBondContact OE1-NH2 3.21Å; E311-R411 WeakPolarHBondContact OE2-CG 3.35Å; E311-R411 IonicContact OE2-CZ 3.8Å; E311-R411 IonicContact OE2-NE 3.82Å; E311-R411 PolarHBondContact OE2-NE 2.78Å; E311-R411 IonicContact OE2-NH2 2.74Å; E311-R411 PolarHBondContact OE2-NH2 3.35Å
312T96.8Very high95.8Very high4 Ų412.5 Ų12.53%0.0257%0.067CC..G310 helixtrans-75.6-16.7179.764.50000112.5R309 L310 L314 G315 K364 T366 H369 I388R309-T312 HydrophobicContact CB-CG2 3.94Å; R309-T312 PolarHBondContact O-N 3.47Å; R309-T312 VanDerWaalsContact O-N 3.11Å; R309-T312 PolarHBondContact O-OG1 3.13Å; L310-T312 PolarHBondContact O-N 2.98Å; T312-L314 PolarHBondContact O-N 2.79Å; T312-L314 VanDerWaalsContact O-N 3.1Å; T312-G315 PolarHBondContact O-N 3.13Å; T312-K364 PolarHBondContact OG1-NZ 3.25Å; T312-K364 VanDerWaalsContact OG1-NZ 3.09Å; T312-T366 WeakPolarHBondContact O-CG2 3.29Å; T312-H369 HydrophobicContact CG2-CB 4.06Å; T312-I388 HydrophobicContact CG2-CD1 4.17Å
313M96.1Very high96Very high0 Ų011.4 Ų11.40%07%0.065CC..G310 helixtrans-59.4-28.9-176.776.685.629.700112.4F286 Y288 L310 E311 G315 D316 H338 P339 L340 K364 V414F286-M313 HydrophobicContact CE2-CE 3.78Å; F286-M313 HydrophobicContact CZ-CB 3.97Å; F286-M313 HydrophobicContact CZ-CE 4.09Å; Y288-M313 HydrophobicContact CE1-CE 4Å; Y288-M313 WeakPolarHBondContact OH-CE 3.5Å; L310-M313 HydrophobicContact CD1-CG 4.42Å; L310-M313 VanDerWaalsContact O-CB 3.31Å; L310-M313 WeakPolarHBondContact O-CB 3.26Å; L310-M313 WeakPolarHBondContact O-CG 3.16Å; L310-M313 PolarHBondContact O-N 3.39Å; L310-M313 VanDerWaalsContact O-N 3.09Å; E311-M313 VanDerWaalsContact C-N 3.25Å; E311-M313 PolarHBondContact O-N 3.35Å; M313-G315 PolarHBondContact O-N 2.9Å; M313-D316 WeakPolarHBondContact CA-OD1 3.38Å; M313-D316 WeakPolarHBondContact CA-OD2 3.18Å; M313-D316 VanDerWaalsContact O-CB 3.25Å; M313-D316 WeakPolarHBondContact O-CB 3.36Å; M313-D316 PolarHBondContact O-N 3.31Å; M313-H338 WeakPolarHBondContact CE-CE1 3.42Å; M313-H338 WeakPolarHBondContact CE-NE2 3.34Å; M313-H338 PolarHBondContact O-NE2 3.42Å; M313-P339 HydrophobicContact CE-CG 4.29Å; M313-L340 HydrophobicContact SD-CD1 3.82Å; M313-K364 HydrophobicContact CB-CD 4.21Å; M313-V414 HydrophobicContact CG-CG1 3.64Å; M313-V414 HydrophobicContact SD-CG1 3.77Å
314L97.1Very high96Very high0 Ų016.4 Ų16.40%09%0.092CC..G310 helixtrans-60.4-15.6174.6-62.6171.6000113.6T312 L340 I341 R344 V387 M394 A398 F402 V414T312-L314 PolarHBondContact O-N 2.79Å; T312-L314 VanDerWaalsContact O-N 3.1Å; L314-L340 HydrophobicContact CD2-CB 4.05Å; L314-L340 HydrophobicContact CD2-CD1 4.04Å; L314-I341 HydrophobicContact CD2-CD1 4.44Å; L314-I341 HydrophobicContact CD2-CG1 4.49Å; L314-R344 PolarHBondContact O-NH1 3.11Å; L314-V387 HydrophobicContact CB-CG1 4.32Å; L314-V387 WeakPolarHBondContact O-CG1 3.3Å; L314-M394 HydrophobicContact CD1-CE 3.87Å; L314-A398 HydrophobicContact CB-CB 4.36Å; L314-A398 HydrophobicContact CD1-CB 4.06Å; L314-F402 HydrophobicContact CD1-CB 3.73Å; L314-F402 HydrophobicContact CD1-CD1 4.15Å; L314-F402 HydrophobicContact CD1-CD2 3.74Å; L314-F402 HydrophobicContact CD1-CE2 4.41Å; L314-F402 HydrophobicContact CD1-CG 3.59Å; L314-F402 HydrophobicContact CD2-CD2 3.66Å; L314-F402 HydrophobicContact CD2-CE2 3.7Å; L314-F402 HydrophobicContact CD2-CG 4.35Å; L314-F402 HydrophobicContact CD2-CZ 4.42Å; L314-F402 HydrophobicContact CG-CD2 4.38Å; L314-V414 HydrophobicContact CD1-CG2 3.61Å; L314-V414 HydrophobicContact CD2-CG2 4.12Å; L314-V414 HydrophobicContact CG-CG2 3.87Å
315G96.2Very high96Very high0 Ų015.3 Ų15.30%09%0.085CC..G310 helixtrans-1047.4176.100000114T312 M313 T366 V387T312-G315 PolarHBondContact O-N 3.13Å; M313-G315 PolarHBondContact O-N 2.9Å; G315-T366 VanDerWaalsContact C-CG2 3.45Å; G315-T366 WeakPolarHBondContact O-CG2 3.41Å; G315-V387 VanDerWaalsContact CA-CG1 3.44Å
316D97.1Very high95.8Very high0 Ų021.8 Ų21.80%012%0.119CC..  trans-65.8138.9-174.3-71.9-10.3000111.5Y288 M313 R344 I346 K364 L365 T366Y288-D316 PolarHBondContact OH-OD2 2.89Å; M313-D316 WeakPolarHBondContact CA-OD1 3.38Å; M313-D316 WeakPolarHBondContact CA-OD2 3.18Å; M313-D316 VanDerWaalsContact O-CB 3.25Å; M313-D316 WeakPolarHBondContact O-CB 3.36Å; M313-D316 PolarHBondContact O-N 3.31Å; D316-R344 WeakPolarHBondContact O-CD 3.47Å; D316-R344 PolarHBondContact O-NH1 2.92Å; D316-I346 HydrophobicContact CB-CD1 4.01Å; D316-K364 IonicContact OD1-NZ 3.85Å; D316-K364 PolarHBondContact OD1-NZ 3.17Å; D316-K364 VanDerWaalsContact OD2-CB 3.3Å; D316-K364 WeakPolarHBondContact OD2-CB 3.39Å; D316-K364 VanDerWaalsContact OD2-CD 3.32Å; D316-K364 WeakPolarHBondContact OD2-CD 3.45Å; D316-L365 WeakPolarHBondContact CA-O 3.42Å; D316-T366 PolarHBondContact OD1-OG1 3.43Å
317T96.8Very high95.7Very high8 Ų826.7 Ų26.75%0.04913%0.134CC..  trans-135.91.8-179.559.60000113.7P347 L365 P367 P383 V385T317-P347 WeakPolarHBondContact O-CD 3.35Å; T317-L365 PolarHBondContact N-O 3.19Å; T317-P367 WeakPolarHBondContact OG1-CD 3.34Å; T317-P383 WeakPolarHBondContact CB-O 3.41Å; T317-P383 HydrophobicContact CG2-CB 4.11Å; T317-P383 VanDerWaalsContact CG2-O 3.27Å; T317-P383 WeakPolarHBondContact CG2-O 3.37Å; T317-P383 PolarHBondContact OG1-O 3.43Å; T317-V385 HydrophobicContact CG2-CB 4.35Å; T317-V385 HydrophobicContact CG2-CG2 3.62Å
318G96.8Very high95.7Very high0 Ų027.7 Ų27.70%014%0.137CC..EExtended strand (participates in β ladder)trans-157.2164.6169.700000112I346 P347 L365G318-I346 VanDerWaalsContact C-CG2 3.44Å; G318-P347 WeakPolarHBondContact CA-O 3.39Å; G318-L365 PolarHBondContact N-O 3.47Å; G318-L365 WeakPolarHBondContact O-CB 3.42Å; G318-L365 PolarHBondContact O-N 3.32Å
319V97.3Very high95.5Very high0 Ų032.7 Ų32.70%015%0.151CC..EExtended strand (participates in β ladder)trans-125.7121.6160171.30000107.9Y288 I303 V305 I336 I346 P347 I348 V349 A362 V363Y288-V319 HydrophobicContact CD2-CG2 4.04Å; Y288-V319 HydrophobicContact CE2-CG2 4.13Å; I303-V319 HydrophobicContact CD1-CG1 3.95Å; V305-V319 HydrophobicContact CG1-CG1 3.91Å; V305-V319 HydrophobicContact CG1-CG2 4.24Å; V319-I336 HydrophobicContact CB-CD1 4.09Å; V319-I336 HydrophobicContact CG2-CD1 3.35Å; V319-I346 HydrophobicContact CG2-CG2 4.49Å; V319-P347 PolarHBondContact N-O 3.14Å; V319-I348 HydrophobicContact CB-CG1 4.44Å; V319-I348 CarbonylContact O-C 3.56Å; V319-I348 VanDerWaalsContact O-CA 3.26Å; V319-I348 WeakPolarHBondContact O-CA 3.47Å; V319-V349 PolarHBondContact O-N 3.23Å; V319-A362 HydrophobicContact CG1-CB 4.29Å; V319-V363 CarbonylContact C-O 3.55Å; V319-V363 WeakPolarHBondContact CA-O 3.4Å
320A97Very high95.3Very high0 Ų034.9 Ų34.90%016%0.162CC..EExtended strand (participates in β ladder)trans-93139.4175.400000111.2V349 D351 V354 A362 V363 L365A320-V349 WeakPolarHBondContact CA-O 3.38Å; A320-V349 HydrophobicContact CB-CG2 4.11Å; A320-D351 HydrophobicContact CB-CB 4.44Å; A320-V354 HydrophobicContact CB-CG2 3.44Å; A320-V354 VanDerWaalsContact CB-CG2 3.44Å; A320-A362 WeakPolarHBondContact O-CA 3.41Å; A320-V363 PolarHBondContact N-O 2.89Å; A320-V363 PolarHBondContact O-N 3.42Å; A320-L365 HydrophobicContact CB-CD1 3.98Å; A320-L365 HydrophobicContact CB-CD2 3.98Å; A320-L365 HydrophobicContact CB-CG 4.11Å
321V97Very high95.1Very high0 Ų035 Ų350%016%0.163CC..EExtended strand (participates in β ladder)trans-129.9154.8167.8-63.20000108.9I303 Y328 I332 I348 V349 G350 D351 A362I303-V321 HydrophobicContact CD1-CG1 4.02Å; V321-Y328 HydrophobicContact CB-CD2 4.18Å; V321-Y328 HydrophobicContact CB-CG 4.32Å; V321-Y328 HydrophobicContact CG1-CD2 3.82Å; V321-Y328 HydrophobicContact CG1-CG 3.83Å; V321-I332 HydrophobicContact CG2-CD1 4.1Å; V321-I332 HydrophobicContact CG2-CG1 3.64Å; V321-I348 HydrophobicContact CG1-CG2 4.42Å; V321-I348 HydrophobicContact CG2-CG2 4.06Å; V321-V349 PolarHBondContact N-O 3.44Å; V321-G350 WeakPolarHBondContact O-CA 3.15Å; V321-D351 PolarHBondContact O-N 3.37Å; V321-A362 HydrophobicContact CG1-CB 3.74Å
322H96.7Very high94.9Very high34 Ų3438 Ų3816%0.15718%0.178CC..  trans-68.2133.2175.7-168.4-84.4000109.7D324 D325 V354 P356H322-D324 IonicContact CE1-OD2 3.62Å; H322-D324 PolarHBondContact CE1-OD2 2.87Å; H322-D324 PolarHBondContact ND1-N 2.79Å; H322-D324 VanDerWaalsContact ND1-N 3.19Å; H322-D324 IonicContact ND1-OD2 2.73Å; H322-D324 PolarHBondContact O-N 3.4Å; H322-D324 VanDerWaalsContact O-N 3.11Å; H322-D325 HydrophobicContact CB-CB 4.13Å; H322-D325 WeakPolarHBondContact O-CB 3.36Å; H322-D325 PolarHBondContact O-N 2.85Å; H322-V354 HydrophobicContact CB-CB 4.4Å; H322-V354 PolarHBondContact CD2-O 3.29Å; H322-P356 HydrophobicContact CB-CG 3.73Å
323P95.5Very high94.7Very high37 Ų3740.8 Ų40.824%0.2421%0.208CC..THydrogen-bonded Turntrans-56-31.4-177-2734.4000114.6R329 T352P323-R329 WeakPolarHBondContact O-CD 3.42Å; P323-R329 WeakPolarHBondContact O-CG 3.42Å; P323-T352 HydrophobicContact CG-CG2 4.32Å
324D94.9Very high94.5Very high108 Ų10842.7 Ų42.758%0.57822%0.215SC*.THydrogen-bonded Turntrans-93.61.8180-56.2-44.6000114.2H322 N326H322-D324 IonicContact CE1-OD2 3.62Å; H322-D324 PolarHBondContact CE1-OD2 2.87Å; H322-D324 PolarHBondContact ND1-N 2.79Å; H322-D324 VanDerWaalsContact ND1-N 3.19Å; H322-D324 IonicContact ND1-OD2 2.73Å; H322-D324 PolarHBondContact O-N 3.4Å; H322-D324 VanDerWaalsContact O-N 3.11Å; D324-N326 PolarHBondContact O-N 2.99Å; D324-N326 VanDerWaalsContact O-N 3.09Å
325D94.2Very high94.2Very high12 Ų1246 Ų466%0.06423%0.232CC..  trans-74.9102.7176.6-170.5-16.3000110.4H322 R327 Y328 R329H322-D325 HydrophobicContact CB-CB 4.13Å; H322-D325 WeakPolarHBondContact O-CB 3.36Å; H322-D325 PolarHBondContact O-N 2.85Å; D325-R327 PolarHBondContact O-N 2.83Å; D325-R327 VanDerWaalsContact OD1-CB 3.28Å; D325-R327 WeakPolarHBondContact OD1-CB 3.37Å; D325-R327 WeakPolarHBondContact OD1-CG 3.38Å; D325-R327 IonicContact OD1-CZ 2.71Å; D325-R327 PolarHBondContact OD1-N 2.88Å; D325-R327 IonicContact OD1-NE 3.07Å; D325-R327 PolarHBondContact OD1-NE 3.06Å; D325-R327 IonicContact OD1-NH2 3.4Å; D325-R327 IonicContact OD2-CZ 3.17Å; D325-R327 IonicContact OD2-NE 2.72Å; D325-R327 PolarHBondContact OD2-NE 2.63Å; D325-R327 IonicContact OD2-NH2 2.95Å; D325-R327 PolarHBondContact OD2-NH2 2.85Å; D325-Y328 PolarHBondContact O-N 3.35Å; D325-Y328 WeakPolarHBondContact OD2-CD2 3.5Å; D325-R329 WeakPolarHBondContact O-CB 3.29Å; D325-R329 PolarHBondContact O-N 3.36Å
326N91.9Very high94.1Very high135 Ų13546 Ų4672%0.72223%0.232SC*.THydrogen-bonded Turntrans-55.3-21.1-179.5-68.8-34.5000113.8D324D324-N326 PolarHBondContact O-N 2.99Å; D324-N326 VanDerWaalsContact O-N 3.09Å
327R92.3Very high93.8Very high122 Ų12250.4 Ų50.446%0.4625%0.252SS..THydrogen-bonded Turntrans-72.5-27.7177.2-59.6173.3-66.7-178.60113.1D325 H330 P356D325-R327 PolarHBondContact O-N 2.83Å; D325-R327 VanDerWaalsContact OD1-CB 3.28Å; D325-R327 WeakPolarHBondContact OD1-CB 3.37Å; D325-R327 WeakPolarHBondContact OD1-CG 3.38Å; D325-R327 IonicContact OD1-CZ 2.71Å; D325-R327 PolarHBondContact OD1-N 2.88Å; D325-R327 IonicContact OD1-NE 3.07Å; D325-R327 PolarHBondContact OD1-NE 3.06Å; D325-R327 IonicContact OD1-NH2 3.4Å; D325-R327 IonicContact OD2-CZ 3.17Å; D325-R327 IonicContact OD2-NE 2.72Å; D325-R327 PolarHBondContact OD2-NE 2.63Å; D325-R327 IonicContact OD2-NH2 2.95Å; D325-R327 PolarHBondContact OD2-NH2 2.85Å; R327-H330 PolarHBondContact O-CE1 3.36Å; R327-P356 PolarHBondContact NH2-O 3.4Å
328Y93.3Very high93.8Very high35 Ų3550 Ų5014%0.13725%0.249CC..THydrogen-bonded Turntrans-130.8-7.9-171.2-52.4-56.2000114.4I303 V321 D325 H330 L331 T360 A362I303-Y328 HydrophobicContact CD1-CD1 4.21Å; I303-Y328 HydrophobicContact CG1-CD1 4.42Å; I303-Y328 HydrophobicContact CG1-CE1 4.32Å; V321-Y328 HydrophobicContact CB-CD2 4.18Å; V321-Y328 HydrophobicContact CB-CG 4.32Å; V321-Y328 HydrophobicContact CG1-CD2 3.82Å; V321-Y328 HydrophobicContact CG1-CG 3.83Å; D325-Y328 PolarHBondContact O-N 3.35Å; D325-Y328 WeakPolarHBondContact OD2-CD2 3.5Å; Y328-H330 PolarHBondContact O-N 2.8Å; Y328-H330 VanDerWaalsContact O-N 3.13Å; Y328-L331 HydrophobicContact CD1-CD1 4.06Å; Y328-L331 WeakPolarHBondContact O-CA 3.33Å; Y328-L331 VanDerWaalsContact O-CB 3.25Å; Y328-L331 WeakPolarHBondContact O-CB 3.49Å; Y328-L331 PolarHBondContact O-N 2.77Å; Y328-T360 VanDerWaalsContact CE2-O 3.31Å; Y328-T360 WeakPolarHBondContact CE2-O 3.21Å; Y328-T360 PolarHBondContact OH-O 3.03Å; Y328-A362 HydrophobicContact CD2-CB 4.45Å; Y328-A362 HydrophobicContact CE2-CB 4.11Å
329R90.8Very high93.6Very high148 Ų14851.4 Ų51.456%0.55826%0.258SS*.G310 helixtrans-52.4-37.7-177.7178174.9174.9166.12.8113.2P323 D325 L331 I332P323-R329 WeakPolarHBondContact O-CD 3.42Å; P323-R329 WeakPolarHBondContact O-CG 3.42Å; D325-R329 WeakPolarHBondContact O-CB 3.29Å; D325-R329 PolarHBondContact O-N 3.36Å; R329-L331 PolarHBondContact O-N 3.19Å; R329-I332 PolarHBondContact O-N 2.84Å
330H90.7Very high93.4Very high85 Ų8552.6 Ų52.639%0.39426%0.264SS..G310 helixtrans-75.2-7177.964.2-71.9000114.2D300 R327 Y328D300-H330 IonicContact OD2-CD2 2.7Å; D300-H330 IonicContact OD2-CE1 2.8Å; D300-H330 IonicContact OD2-NE2 3.6Å; D300-H330 PolarHBondContact OD2-NE2 3.1Å; R327-H330 PolarHBondContact O-CE1 3.36Å; Y328-H330 PolarHBondContact O-N 2.8Å; Y328-H330 VanDerWaalsContact O-N 3.13Å
331L91.6Very high93.3Very high6 Ų653.6 Ų53.63%0.03127%0.27CS..G310 helixtrans-94.1-14.5176.5-55.9-175.6000112.8L290 D300 I303 Y328 R329 G333 R334 I348L290-L331 HydrophobicContact CD2-CD1 4.32Å; L290-L331 HydrophobicContact CD2-CD2 3.57Å; L290-L331 HydrophobicContact CD2-CG 4.49Å; D300-L331 HydrophobicContact CB-CD2 4.49Å; I303-L331 HydrophobicContact CD1-CD1 4.12Å; Y328-L331 HydrophobicContact CD1-CD1 4.06Å; Y328-L331 WeakPolarHBondContact O-CA 3.33Å; Y328-L331 VanDerWaalsContact O-CB 3.25Å; Y328-L331 WeakPolarHBondContact O-CB 3.49Å; Y328-L331 PolarHBondContact O-N 2.77Å; R329-L331 PolarHBondContact O-N 3.19Å; L331-G333 PolarHBondContact O-N 2.85Å; L331-R334 WeakPolarHBondContact O-CB 3.33Å; L331-R334 WeakPolarHBondContact O-CG 3.45Å; L331-R334 PolarHBondContact O-N 3.47Å; L331-I348 HydrophobicContact CB-CD1 3.82Å; L331-I348 HydrophobicContact CB-CG2 4.31Å; L331-I348 HydrophobicContact CD1-CD1 4.48Å; L331-I348 WeakPolarHBondContact O-CB 3.42Å
332I92.9Very high92.4Very high64 Ų6457.3 Ų57.333%0.32829%0.294SS..THydrogen-bonded Turntrans-60130.1178.7-61.8169.8000109.8V321 R329 R334V321-I332 HydrophobicContact CG2-CD1 4.1Å; V321-I332 HydrophobicContact CG2-CG1 3.64Å; R329-I332 PolarHBondContact O-N 2.84Å; I332-R334 VanDerWaalsContact C-N 3.31Å
333G91.7Very high92Very high63 Ų6363.2 Ų63.265%0.64933%0.326SS*.THydrogen-bonded Turntrans87-10.2-174.900000114.4L331 I348L331-G333 PolarHBondContact O-N 2.85Å; G333-I348 PolarHBondContact N-O 2.94Å
334R92Very high91.9Very high39 Ų3963.4 Ų63.415%0.14732%0.322CS..  trans-74.9157.9172.7-59.2-153.570.5-136-13.9111.4L291 L331 I332 I348L291-R334 PolarHBondContact O-NH1 2.9Å; L291-R334 PolarHBondContact O-NH2 3.46Å; L331-R334 WeakPolarHBondContact O-CB 3.33Å; L331-R334 WeakPolarHBondContact O-CG 3.45Å; L331-R334 PolarHBondContact O-N 3.47Å; I332-R334 VanDerWaalsContact C-N 3.31Å; R334-I348 HydrophobicContact CB-CD1 4.45Å; R334-I348 PolarHBondContact O-N 3.49Å
335L92.2Very high91.8Very high69 Ų6962.6 Ų62.636%0.36132%0.317SS..EExtended strand (participates in β ladder)trans-106.3137.6176.1-65.8170.7000110.3L291 L345 I346 P347L291-L335 HydrophobicContact CD1-CB 3.85Å; L291-L335 PolarHBondContact N-O 3.08Å; L335-L345 HydrophobicContact CD1-CD1 4.39Å; L335-I346 CarbonylContact C-O 3.52Å; L335-I346 WeakPolarHBondContact CA-O 3.48Å; L335-P347 HydrophobicContact CD2-CB 4.13Å
336I93.4Very high91.9Very high0 Ų062 Ų620%031%0.314CS..EExtended strand (participates in β ladder)trans-112.1152171.768.3-165.8000109.7Y288 P289 L290 I303 V319 L345 I346 I348Y288-I336 HydrophobicContact CD1-CD1 4.02Å; Y288-I336 HydrophobicContact CD1-CG1 4.33Å; Y288-I336 HydrophobicContact CD2-CD1 3.97Å; Y288-I336 HydrophobicContact CG-CD1 3.63Å; Y288-I336 HydrophobicContact CG-CG1 4.32Å; P289-I336 WeakPolarHBondContact O-CA 3.24Å; P289-I336 WeakPolarHBondContact O-CB 3.25Å; L290-I336 HydrophobicContact CD1-CG2 4.42Å; L290-I336 HydrophobicContact CG-CG2 4.03Å; I303-I336 HydrophobicContact CG2-CD1 4.28Å; I303-I336 HydrophobicContact CG2-CG2 4.02Å; V319-I336 HydrophobicContact CB-CD1 4.09Å; V319-I336 HydrophobicContact CG2-CD1 3.35Å; I336-L345 WeakPolarHBondContact O-CA 3.21Å; I336-I346 HydrophobicContact CD1-CB 4.1Å; I336-I346 HydrophobicContact CD1-CG2 3.93Å; I336-I346 HydrophobicContact CG1-CB 3.62Å; I336-I346 HydrophobicContact CG1-CG2 4Å; I336-I346 WeakPolarHBondContact CG1-O 3.09Å; I336-I346 PolarHBondContact N-O 3.34Å; I336-I346 PolarHBondContact O-N 3.43Å; I336-I348 HydrophobicContact CG2-CD1 3.65Å; I336-I348 HydrophobicContact CG2-CG1 3.89Å
337K91.6Very high92.1Very high94 Ų9457.3 Ų57.341%0.40929%0.291SS..EExtended strand (participates in β ladder)trans-92.2130.7175.9-171.4177.5-176.6178.20109.5P289 L291 P342 L345P289-K337 PolarHBondContact O-N 3.31Å; L291-K337 HydrophobicContact CD2-CB 4.34Å; K337-P342 WeakPolarHBondContact CE-O 3.45Å; K337-L345 HydrophobicContact CB-CD2 4.47Å
338H95.2Very high92.3Very high0 Ų051.6 Ų51.60%027%0.27CS..  trans-67122.8171.9-170.3-60.8000109.7M313 L340 I341 R344 I346M313-H338 WeakPolarHBondContact CE-CE1 3.42Å; M313-H338 WeakPolarHBondContact CE-NE2 3.34Å; M313-H338 PolarHBondContact O-NE2 3.42Å; H338-L340 VanDerWaalsContact C-N 3.33Å; H338-L340 PolarHBondContact ND1-N 2.94Å; H338-L340 VanDerWaalsContact ND1-N 3.2Å; H338-L340 PolarHBondContact O-N 2.94Å; H338-I341 HydrophobicContact CB-CB 4.28Å; H338-I341 PolarHBondContact ND1-N 3.48Å; H338-I341 VanDerWaalsContact ND1-N 3.13Å; H338-R344 HydrophobicContact CB-CB 3.98Å; H338-R344 WeakPolarHBondContact CB-O 3.19Å; H338-R344 PolarHBondContact N-O 3.43Å; H338-I346 HydrophobicContact CB-CD1 3.94Å
339P92.6Very high92.5Very high29 Ų2950.7 Ų50.719%0.18827%0.268CS..SBendtrans-70.1-28.7-168.726-34.3000113.6Y288 M313 L418 L421 L423Y288-P339 HydrophobicContact CD1-CG 4.39Å; Y288-P339 VanDerWaalsContact CE1-CD 3.43Å; Y288-P339 HydrophobicContact CE1-CG 4.32Å; M313-P339 HydrophobicContact CE-CG 4.29Å; P339-L418 HydrophobicContact CG-CD2 3.91Å; P339-L421 HydrophobicContact CB-CD1 4.21Å; P339-L423 HydrophobicContact CB-CD1 3.33Å; P339-L423 HydrophobicContact CG-CD1 4.08Å
340L94.9Very high92.7Very high24 Ų2444.6 Ų44.613%0.12625%0.251CS..SBendtrans-104.6-7.9-177.9-55.6178.3000114.8M313 L314 H338 F402 V414 A417 L418 L421M313-L340 HydrophobicContact SD-CD1 3.82Å; L314-L340 HydrophobicContact CD2-CB 4.05Å; L314-L340 HydrophobicContact CD2-CD1 4.04Å; H338-L340 VanDerWaalsContact C-N 3.33Å; H338-L340 PolarHBondContact ND1-N 2.94Å; H338-L340 VanDerWaalsContact ND1-N 3.2Å; H338-L340 PolarHBondContact O-N 2.94Å; L340-F402 HydrophobicContact CB-CE2 4.13Å; L340-F402 HydrophobicContact CD1-CE2 4.08Å; L340-F402 HydrophobicContact CD1-CZ 3.84Å; L340-V414 HydrophobicContact CD1-CB 4.43Å; L340-V414 HydrophobicContact CD1-CG1 3.84Å; L340-V414 HydrophobicContact CD1-CG2 4.37Å; L340-A417 HydrophobicContact CD1-CB 4.08Å; L340-A417 HydrophobicContact CD2-CB 3.61Å; L340-L418 HydrophobicContact CD1-CD2 4.43Å; L340-L418 HydrophobicContact CD1-CG 4.38Å; L340-L418 HydrophobicContact CG-CD2 4.49Å; L340-L421 HydrophobicContact CD2-CD1 3.62Å
341I93.4Very high93Very high22 Ų2241 Ų4111%0.11323%0.234CC..SBendtrans-129.186.2-178.8-55.1-65.5000106.3L314 H338 D343 R344 A398L314-I341 HydrophobicContact CD2-CD1 4.44Å; L314-I341 HydrophobicContact CD2-CG1 4.49Å; H338-I341 HydrophobicContact CB-CB 4.28Å; H338-I341 PolarHBondContact ND1-N 3.48Å; H338-I341 VanDerWaalsContact ND1-N 3.13Å; I341-D343 PolarHBondContact O-N 3.08Å; I341-D343 VanDerWaalsContact O-N 3.09Å; I341-R344 HydrophobicContact CB-CB 4.26Å; I341-R344 HydrophobicContact CG2-CB 3.87Å; I341-R344 PolarHBondContact O-N 3.26Å; I341-A398 WeakPolarHBondContact CD1-O 3.36Å
342P79.8Confident93.2Very high78 Ų7845.8 Ų45.851%0.50626%0.264SS..THydrogen-bonded Turntrans-61-28.6-160.218.4-30.1000114.6K337 R344K337-P342 WeakPolarHBondContact CE-O 3.45Å; P342-R344 VanDerWaalsContact C-N 3.35Å
343D87Confident93.2Very high157 Ų15746.7 Ų46.784%0.8427%0.266SS*.THydrogen-bonded Turntrans-87.7-1.2-177.7-56-39.8000113.6I341I341-D343 PolarHBondContact O-N 3.08Å; I341-D343 VanDerWaalsContact O-N 3.09Å
344R93.6Very high93.3Very high42 Ų4243.8 Ų43.816%0.15824%0.236CC..  trans-96.9114.1-177.7-167.3177.1-58.6161.99.7111.6L314 D316 H338 I341 P342 I346 A397L314-R344 PolarHBondContact O-NH1 3.11Å; D316-R344 WeakPolarHBondContact O-CD 3.47Å; D316-R344 PolarHBondContact O-NH1 2.92Å; H338-R344 HydrophobicContact CB-CB 3.98Å; H338-R344 WeakPolarHBondContact CB-O 3.19Å; H338-R344 PolarHBondContact N-O 3.43Å; I341-R344 HydrophobicContact CB-CB 4.26Å; I341-R344 HydrophobicContact CG2-CB 3.87Å; I341-R344 PolarHBondContact O-N 3.26Å; P342-R344 VanDerWaalsContact C-N 3.35Å; R344-I346 HydrophobicContact CG-CG1 4.25Å; R344-A397 PolarHBondContact NH2-O 2.74Å
345L93.8Very high93.4Very high90 Ų9046 Ų4647%0.47125%0.25SS..EExtended strand (participates in β ladder)trans-94139.2167.4-59.8-176.8000110L291 L335 I336 K337L291-L345 HydrophobicContact CD1-CD1 4.31Å; L291-L345 HydrophobicContact CD1-CD2 4.02Å; L291-L345 HydrophobicContact CD2-CD2 4.33Å; L291-L345 HydrophobicContact CG-CD2 4.49Å; L335-L345 HydrophobicContact CD1-CD1 4.39Å; I336-L345 WeakPolarHBondContact O-CA 3.21Å; K337-L345 HydrophobicContact CB-CD2 4.47Å
346I95.1Very high93.4Very high0 Ų044.4 Ų44.40%024%0.244CC..EExtended strand (participates in β ladder)trans-125127.9-173.7-63.3174000108.9Y288 D316 G318 V319 L335 I336 H338 R344Y288-I346 HydrophobicContact CE1-CD1 4.12Å; D316-I346 HydrophobicContact CB-CD1 4.01Å; G318-I346 VanDerWaalsContact C-CG2 3.44Å; V319-I346 HydrophobicContact CG2-CG2 4.49Å; L335-I346 CarbonylContact C-O 3.52Å; L335-I346 WeakPolarHBondContact CA-O 3.48Å; I336-I346 HydrophobicContact CD1-CB 4.1Å; I336-I346 HydrophobicContact CD1-CG2 3.93Å; I336-I346 HydrophobicContact CG1-CB 3.62Å; I336-I346 HydrophobicContact CG1-CG2 4Å; I336-I346 WeakPolarHBondContact CG1-O 3.09Å; I336-I346 PolarHBondContact N-O 3.34Å; I336-I346 PolarHBondContact O-N 3.43Å; H338-I346 HydrophobicContact CB-CD1 3.94Å; R344-I346 HydrophobicContact CG-CG1 4.25Å
347P96.3Very high93.3Very high37 Ų3751.5 Ų51.524%0.2428%0.282CS..EExtended strand (participates in β ladder)trans-76.5144.2173.431.2-35.5000112.7T317 G318 V319 L335 V349 L382T317-P347 WeakPolarHBondContact O-CD 3.35Å; G318-P347 WeakPolarHBondContact CA-O 3.39Å; V319-P347 PolarHBondContact N-O 3.14Å; L335-P347 HydrophobicContact CD2-CB 4.13Å; P347-V349 HydrophobicContact CB-CG1 4.35Å; P347-L382 HydrophobicContact CG-CD2 3.67Å
348I96.6Very high93.1Very high1 Ų152.7 Ų52.71%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-89.3123.6163.3-57.8175.3000108.1I303 V319 V321 L331 G333 R334 I336I303-I348 HydrophobicContact CD1-CD1 4.1Å; I303-I348 HydrophobicContact CG2-CD1 4.36Å; V319-I348 HydrophobicContact CB-CG1 4.44Å; V319-I348 CarbonylContact O-C 3.56Å; V319-I348 VanDerWaalsContact O-CA 3.26Å; V319-I348 WeakPolarHBondContact O-CA 3.47Å; V321-I348 HydrophobicContact CG1-CG2 4.42Å; V321-I348 HydrophobicContact CG2-CG2 4.06Å; L331-I348 HydrophobicContact CB-CD1 3.82Å; L331-I348 HydrophobicContact CB-CG2 4.31Å; L331-I348 HydrophobicContact CD1-CD1 4.48Å; L331-I348 WeakPolarHBondContact O-CB 3.42Å; G333-I348 PolarHBondContact N-O 2.94Å; R334-I348 HydrophobicContact CB-CD1 4.45Å; R334-I348 PolarHBondContact O-N 3.49Å; I336-I348 HydrophobicContact CG2-CD1 3.65Å; I336-I348 HydrophobicContact CG2-CG1 3.89Å
349V96.9Very high92.7Very high17 Ų1754.5 Ų54.510%0.10331%0.306CS..EExtended strand (participates in β ladder)trans-118.8149.8-176.7-60.50000111.4V319 A320 V321 P347 L365 H380V319-V349 PolarHBondContact O-N 3.23Å; A320-V349 WeakPolarHBondContact CA-O 3.38Å; A320-V349 HydrophobicContact CB-CG2 4.11Å; V321-V349 PolarHBondContact N-O 3.44Å; P347-V349 HydrophobicContact CB-CG1 4.35Å; V349-L365 HydrophobicContact CG2-CD1 3.92Å; V349-H380 HydrophobicContact CG1-CB 4.21Å
350G96.6Very high92.5Very high19 Ų1954.4 Ų54.420%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-92.1116.4172.300000110.7V321 H380V321-G350 WeakPolarHBondContact O-CA 3.15Å; G350-H380 PolarHBondContact O-CE1 3.22Å
351D96Very high92.4Very high9 Ų953.3 Ų53.35%0.04830%0.299CS..  trans-139.3133.6176.1-160.3-73000111.2A320 V321 F353 V354 V376 R379 H380A320-D351 HydrophobicContact CB-CB 4.44Å; V321-D351 PolarHBondContact O-N 3.37Å; D351-F353 PolarHBondContact O-N 2.99Å; D351-F353 WeakPolarHBondContact OD1-CB 3.44Å; D351-F353 PolarHBondContact OD1-N 3.22Å; D351-V354 PolarHBondContact O-N 2.79Å; D351-V376 HydrophobicContact CB-CG1 4.15Å; D351-R379 IonicContact OD1-CZ 2.82Å; D351-R379 IonicContact OD1-NE 2.72Å; D351-R379 IonicContact OD1-NH2 3.47Å; D351-R379 PolarHBondContact OD1-NH2 2.72Å; D351-R379 IonicContact OD2-CZ 3.4Å; D351-R379 IonicContact OD2-NE 2.68Å; D351-R379 PolarHBondContact OD2-NE 3.11Å; D351-R379 IonicContact OD2-NH2 2.74Å; D351-R379 PolarHBondContact OD2-NH2 3.38Å; D351-H380 IonicContact OD2-CD2 3.93Å; D351-H380 PolarHBondContact OD2-CD2 2.81Å; D351-H380 IonicContact OD2-NE2 3.72Å; D351-H380 PolarHBondContact OD2-NE2 3.03Å
352T95.3Very high92.5Very high108 Ų10852.4 Ų52.466%0.66330%0.295SS*.THydrogen-bonded Turntrans-71.3-8.3-17854.60000113.4P323 V354P323-T352 HydrophobicContact CG-CG2 4.32Å; T352-V354 PolarHBondContact O-N 3.05Å
353F93.4Very high93.2Very high82 Ų8250.5 Ų50.536%0.3628%0.282SS..THydrogen-bonded Turntrans-59.9-30.6169.9165.1-104.5000112.7D351 D355 N372 V376D351-F353 PolarHBondContact O-N 2.99Å; D351-F353 WeakPolarHBondContact OD1-CB 3.44Å; D351-F353 PolarHBondContact OD1-N 3.22Å; F353-D355 PolarHBondContact O-N 2.94Å; F353-N372 HydrophobicContact CD2-CB 4.45Å; F353-N372 HydrophobicContact CE1-CB 4Å; F353-N372 HydrophobicContact CE2-CB 3.59Å; F353-N372 HydrophobicContact CZ-CB 3.32Å; F353-V376 HydrophobicContact CB-CG2 4.08Å; F353-V376 HydrophobicContact CD1-CG2 3.75Å; F353-V376 HydrophobicContact CE1-CG2 4.48Å; F353-V376 HydrophobicContact CG-CG2 3.98Å
354V94.5Very high93.7Very high3 Ų343.5 Ų43.52%0.01824%0.244CC..SBendtrans-75.6121.7-174.7178.90000110.7A320 H322 D351 T352 P356 G361 V363A320-V354 HydrophobicContact CB-CG2 3.44Å; A320-V354 VanDerWaalsContact CB-CG2 3.44Å; H322-V354 HydrophobicContact CB-CB 4.4Å; H322-V354 PolarHBondContact CD2-O 3.29Å; D351-V354 PolarHBondContact O-N 2.79Å; T352-V354 PolarHBondContact O-N 3.05Å; V354-P356 WeakPolarHBondContact O-CD 3.31Å; V354-G361 VanDerWaalsContact CG1-O 3.27Å; V354-G361 WeakPolarHBondContact CG1-O 3.4Å; V354-V363 HydrophobicContact CG1-CG2 3.94Å; V354-V363 HydrophobicContact CG2-CB 4.3Å; V354-V363 HydrophobicContact CG2-CG2 4.1Å
355D93.3Very high93.8Very high85 Ų8541.5 Ų41.546%0.45524%0.237SC..  trans-79.2115.6168.1179.80.1000110.2F353 N357 F358F353-D355 PolarHBondContact O-N 2.94Å; D355-N357 PolarHBondContact O-N 2.91Å; D355-N357 VanDerWaalsContact O-N 3.11Å; D355-N357 WeakPolarHBondContact OD1-CB 3.48Å; D355-N357 PolarHBondContact OD1-N 2.96Å; D355-N357 PolarHBondContact OD1-ND2 3.36Å; D355-F358 HydrophobicContact CB-CB 4.04Å; D355-F358 PolarHBondContact O-N 3.03Å
356P92.3Very high94Very high35 Ų3537.2 Ų37.223%0.22721%0.214CC..THydrogen-bonded Turntrans-58.2-24.8177.5-22.233000113.8H322 R327 V354H322-P356 HydrophobicContact CB-CG 3.73Å; R327-P356 PolarHBondContact NH2-O 3.4Å; V354-P356 WeakPolarHBondContact O-CD 3.31Å
357N91.5Very high94Very high150 Ų15037.2 Ų37.280%0.80222%0.215SC*.THydrogen-bonded Turntrans-90.9-9.5-175.1-56-62000113.5D355D355-N357 PolarHBondContact O-N 2.91Å; D355-N357 VanDerWaalsContact O-N 3.11Å; D355-N357 WeakPolarHBondContact OD1-CB 3.48Å; D355-N357 PolarHBondContact OD1-N 2.96Å; D355-N357 PolarHBondContact OD1-ND2 3.36Å
358F87.4Confident93.9Very high119 Ų11935.5 Ų35.552%0.52220%0.203SC..SBendtrans-97.3137.1-179.7-174.6-99.8000111.9I283 D355 T360 G361I283-F358 HydrophobicContact CD1-CE1 4.44Å; I283-F358 HydrophobicContact CD1-CZ 4.37Å; D355-F358 HydrophobicContact CB-CB 4.04Å; D355-F358 PolarHBondContact O-N 3.03Å; F358-T360 PolarHBondContact O-N 3.48Å; F358-T360 VanDerWaalsContact O-N 3.16Å; F358-G361 PolarHBondContact O-N 3.45Å
359G85.7Confident93.9Very high38 Ų3835.6 Ų35.639%0.39220%0.204SC..THydrogen-bonded Turntrans59.4-119.2-179.800000111.7
360T89.8Confident93.7Very high26 Ų2637.2 Ų37.216%0.1621%0.212CC..THydrogen-bonded Turntrans-100.2-4174.6590000113.3V304 A306 Y328 F358 A362V304-T360 HydrophobicContact CB-CG2 4.33Å; V304-T360 HydrophobicContact CG1-CG2 3.99Å; V304-T360 WeakPolarHBondContact O-CB 3.2Å; V304-T360 PolarHBondContact O-OG1 3.15Å; A306-T360 HydrophobicContact CB-CG2 4.28Å; Y328-T360 VanDerWaalsContact CE2-O 3.31Å; Y328-T360 WeakPolarHBondContact CE2-O 3.21Å; Y328-T360 PolarHBondContact OH-O 3.03Å; F358-T360 PolarHBondContact O-N 3.48Å; F358-T360 VanDerWaalsContact O-N 3.16Å; T360-A362 PolarHBondContact O-N 2.88Å; T360-A362 PolarHBondContact OG1-N 2.91Å; T360-A362 PolarHBondContact OG1-O 3.16Å
361G92Very high93.5Very high1 Ų140 Ų401%0.0122%0.219CC..SBendtrans75.63.5-166.300000114.3V354 F358V354-G361 VanDerWaalsContact CG1-O 3.27Å; V354-G361 WeakPolarHBondContact CG1-O 3.4Å; F358-G361 PolarHBondContact O-N 3.45Å
362A95Very high93.4Very high3 Ų343 Ų433%0.02524%0.236CC..EExtended strand (participates in β ladder)trans-126127.6173.700000110.2I303 V305 V319 A320 V321 Y328 T360I303-A362 HydrophobicContact CD1-CB 3.94Å; I303-A362 HydrophobicContact CG1-CB 4.07Å; V305-A362 HydrophobicContact CG1-CB 4.08Å; V319-A362 HydrophobicContact CG1-CB 4.29Å; A320-A362 WeakPolarHBondContact O-CA 3.41Å; V321-A362 HydrophobicContact CG1-CB 3.74Å; Y328-A362 HydrophobicContact CD2-CB 4.45Å; Y328-A362 HydrophobicContact CE2-CB 4.11Å; T360-A362 PolarHBondContact O-N 2.88Å; T360-A362 PolarHBondContact OG1-N 2.91Å; T360-A362 PolarHBondContact OG1-O 3.16Å
363V95.5Very high93.4Very high38 Ų3838.3 Ų38.323%0.2321%0.207CC..EExtended strand (participates in β ladder)trans-116.5122-171-179.10000109.4V319 A320 V354V319-V363 CarbonylContact C-O 3.55Å; V319-V363 WeakPolarHBondContact CA-O 3.4Å; A320-V363 PolarHBondContact N-O 2.89Å; A320-V363 PolarHBondContact O-N 3.42Å; V354-V363 HydrophobicContact CG1-CG2 3.94Å; V354-V363 HydrophobicContact CG2-CB 4.3Å; V354-V363 HydrophobicContact CG2-CG2 4.1Å
364K96.5Very high93.4Very high10 Ų1036.3 Ų36.34%0.04320%0.197CC..EExtended strand (participates in β ladder)trans-64.6139.7168.457.5164.3-143.765.30110.2F286 Y288 V305 T307 T312 M313 D316 T366F286-K364 HydrophobicContact CE1-CD 4.23Å; F286-K364 HydrophobicContact CZ-CD 4.15Å; Y288-K364 HydrophobicContact CE2-CB 4.45Å; V305-K364 HydrophobicContact CG2-CB 4.25Å; T307-K364 VanDerWaalsContact CB-CE 3.43Å; T307-K364 HydrophobicContact CG2-CD 4.07Å; T307-K364 WeakPolarHBondContact OG1-CE 3.46Å; T312-K364 PolarHBondContact OG1-NZ 3.25Å; T312-K364 VanDerWaalsContact OG1-NZ 3.09Å; M313-K364 HydrophobicContact CB-CD 4.21Å; D316-K364 IonicContact OD1-NZ 3.85Å; D316-K364 PolarHBondContact OD1-NZ 3.17Å; D316-K364 VanDerWaalsContact OD2-CB 3.3Å; D316-K364 WeakPolarHBondContact OD2-CB 3.39Å; D316-K364 VanDerWaalsContact OD2-CD 3.32Å; D316-K364 WeakPolarHBondContact OD2-CD 3.45Å; K364-T366 PolarHBondContact NZ-OG1 2.97Å
365L97.3Very high93.3Very high0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-109.6119178.4-58.3176000110.4D316 T317 G318 A320 V349 P367 D373 V376 L382D316-L365 WeakPolarHBondContact CA-O 3.42Å; T317-L365 PolarHBondContact N-O 3.19Å; G318-L365 PolarHBondContact N-O 3.47Å; G318-L365 WeakPolarHBondContact O-CB 3.42Å; G318-L365 PolarHBondContact O-N 3.32Å; A320-L365 HydrophobicContact CB-CD1 3.98Å; A320-L365 HydrophobicContact CB-CD2 3.98Å; A320-L365 HydrophobicContact CB-CG 4.11Å; V349-L365 HydrophobicContact CG2-CD1 3.92Å; L365-P367 WeakPolarHBondContact O-CD 3.39Å; L365-D373 HydrophobicContact CD2-CB 4.39Å; L365-V376 HydrophobicContact CD1-CB 4.41Å; L365-V376 HydrophobicContact CD1-CG1 3.55Å; L365-V376 HydrophobicContact CD2-CB 4.07Å; L365-V376 HydrophobicContact CD2-CG1 3.86Å; L365-V376 HydrophobicContact CD2-CG2 4.42Å; L365-V376 HydrophobicContact CG-CG1 4.37Å; L365-L382 HydrophobicContact CB-CD1 4.19Å; L365-L382 HydrophobicContact CD1-CD1 3.39Å; L365-L382 HydrophobicContact CG-CD1 4.47Å
366T96.5Very high93.4Very high0 Ų037 Ų370%020%0.197CC..  trans-120.975.5173.6-290000110.6T312 G315 D316 K364 A368 H369 D370 D373T312-T366 WeakPolarHBondContact O-CG2 3.29Å; G315-T366 VanDerWaalsContact C-CG2 3.45Å; G315-T366 WeakPolarHBondContact O-CG2 3.41Å; D316-T366 PolarHBondContact OD1-OG1 3.43Å; K364-T366 PolarHBondContact NZ-OG1 2.97Å; T366-A368 PolarHBondContact O-N 2.88Å; T366-H369 HydrophobicContact CG2-CB 4.39Å; T366-H369 PolarHBondContact O-N 3.25Å; T366-D370 PolarHBondContact O-N 2.9Å; T366-D373 PolarHBondContact N-OD2 2.96Å
367P95.4Very high93.5Very high1 Ų135.4 Ų35.41%0.00619%0.187CC..THydrogen-bonded Turntrans-54.4-23.4-169-28.636.1000115.9T317 L365 W374 L382 T384T317-P367 WeakPolarHBondContact OG1-CD 3.34Å; L365-P367 WeakPolarHBondContact O-CD 3.39Å; P367-W374 HydrophobicContact CB-CE3 4.13Å; P367-W374 WeakPolarHBondContact O-CB 3.43Å; P367-L382 HydrophobicContact CG-CB 4.29Å; P367-T384 HydrophobicContact CB-CG2 4.36Å
368A94.8Very high93.6Very high1 Ų135.7 Ų35.71%0.00818%0.177CC..THydrogen-bonded Turntrans-80.9-12.2-179.600000114.9L242 T366 T384 V385 I386L242-A368 VanDerWaalsContact CD2-O 3.31Å; L242-A368 WeakPolarHBondContact CD2-O 3.14Å; T366-A368 PolarHBondContact O-N 2.88Å; A368-T384 HydrophobicContact CB-CG2 3.59Å; A368-V385 VanDerWaalsContact CB-O 3.23Å; A368-V385 WeakPolarHBondContact CB-O 3.38Å; A368-I386 HydrophobicContact CB-CG1 4.12Å
369H95.5Very high94Very high2 Ų236.1 Ų36.11%0.00918%0.175CC..THydrogen-bonded Turntrans-133.9-0.9-167.1-63.2-72.2000114.8R309 T312 T366 V385 V387 I388 P446R309-H369 PolarHBondContact NH1-O 2.92Å; T312-H369 HydrophobicContact CG2-CB 4.06Å; T366-H369 HydrophobicContact CG2-CB 4.39Å; T366-H369 PolarHBondContact O-N 3.25Å; H369-V385 PolarHBondContact NE2-O 3.35Å; H369-V387 PolarHBondContact NE2-N 3.42Å; H369-V387 VanDerWaalsContact NE2-N 3.14Å; H369-I388 PolarHBondContact CE1-N 2.77Å; H369-P446 WeakPolarHBondContact O-CG 3.32Å
370D94.2Very high94.5Very high51 Ų5137.3 Ų37.327%0.27317%0.17SC..  trans-142.9138.3175.6-175.5-82.9000111.1L242 T366 N372 D373 W374L242-D370 VanDerWaalsContact CD1-O 3.31Å; L242-D370 WeakPolarHBondContact CD1-O 3.17Å; T366-D370 PolarHBondContact O-N 2.9Å; D370-N372 WeakPolarHBondContact OD1-CA 3.2Å; D370-N372 WeakPolarHBondContact OD1-CB 3.24Å; D370-N372 PolarHBondContact OD1-N 2.83Å; D370-D373 HydrophobicContact CB-CB 3.92Å; D370-D373 PolarHBondContact O-N 2.91Å; D370-D373 PolarHBondContact OD1-N 3.4Å; D370-D373 VanDerWaalsContact OD1-N 3.15Å; D370-W374 WeakPolarHBondContact O-CB 3.2Å; D370-W374 PolarHBondContact O-N 3.15Å
371H92.1Very high94.7Very high77 Ų7741.3 Ų41.336%0.35620%0.199SC..Hα-helixtrans-67.4-38.9-175.9-76.7-84.2000113.3L242 W374 E375L242-H371 WeakPolarHBondContact CB-CE1 3.26Å; L242-H371 HydrophobicContact CD1-CB 4.38Å; H371-W374 WeakPolarHBondContact O-CB 3.29Å; H371-W374 PolarHBondContact O-N 2.91Å; H371-E375 PolarHBondContact O-N 3.18Å
372N93.1Very high94.9Very high74 Ų7442 Ų4240%0.39620%0.203SC..Hα-helixtrans-71.5-43.1178.2-58.2-52.2000109.8F353 D370 W374 E375 V376F353-N372 HydrophobicContact CD2-CB 4.45Å; F353-N372 HydrophobicContact CE1-CB 4Å; F353-N372 HydrophobicContact CE2-CB 3.59Å; F353-N372 HydrophobicContact CZ-CB 3.32Å; D370-N372 WeakPolarHBondContact OD1-CA 3.2Å; D370-N372 WeakPolarHBondContact OD1-CB 3.24Å; D370-N372 PolarHBondContact OD1-N 2.83Å; N372-W374 PolarHBondContact O-N 3.16Å; N372-E375 PolarHBondContact O-N 3.09Å; N372-E375 VanDerWaalsContact O-N 3.12Å; N372-V376 VanDerWaalsContact O-CG2 3.31Å; N372-V376 WeakPolarHBondContact O-CG2 3.34Å; N372-V376 PolarHBondContact O-N 3.45Å
373D94.9Very high94.9Very high9 Ų945.9 Ų45.95%0.04823%0.228CC..Hα-helixtrans-62.1-33.7177.1-64.2-6000111.6L365 T366 D370 G377L365-D373 HydrophobicContact CD2-CB 4.39Å; T366-D373 PolarHBondContact N-OD2 2.96Å; D370-D373 HydrophobicContact CB-CB 3.92Å; D370-D373 PolarHBondContact O-N 2.91Å; D370-D373 PolarHBondContact OD1-N 3.4Å; D370-D373 VanDerWaalsContact OD1-N 3.15Å; D373-G377 WeakPolarHBondContact O-CA 3.44Å; D373-G377 PolarHBondContact O-N 2.99Å
374W93.6Very high94.7Very high40 Ų4046.9 Ų46.915%0.15223%0.234CC..Hα-helixtrans-63.9-43.2173.9174.5-117.8000112.6L242 P367 D370 H371 N372 R378 T384 L448L242-W374 HydrophobicContact CD1-CB 3.49Å; L242-W374 VanDerWaalsContact CD1-CB 3.49Å; L242-W374 HydrophobicContact CD1-CG 3.86Å; L242-W374 HydrophobicContact CG-CB 4.37Å; L242-W374 HydrophobicContact CG-CG 4.27Å; P367-W374 HydrophobicContact CB-CE3 4.13Å; P367-W374 WeakPolarHBondContact O-CB 3.43Å; D370-W374 WeakPolarHBondContact O-CB 3.2Å; D370-W374 PolarHBondContact O-N 3.15Å; H371-W374 WeakPolarHBondContact O-CB 3.29Å; H371-W374 PolarHBondContact O-N 2.91Å; N372-W374 PolarHBondContact O-N 3.16Å; W374-R378 PolarHBondContact O-N 2.92Å; W374-T384 HydrophobicContact CE3-CG2 4.26Å; W374-T384 HydrophobicContact CZ3-CG2 3.82Å; W374-L448 HydrophobicContact CD2-CD1 4.32Å; W374-L448 HydrophobicContact CE3-CD1 4.18Å; W374-L448 HydrophobicContact CH2-CD1 3.7Å; W374-L448 HydrophobicContact CH2-CD2 4.31Å; W374-L448 HydrophobicContact CZ2-CD1 3.82Å; W374-L448 HydrophobicContact CZ3-CD1 3.89Å; W374-L448 HydrophobicContact CZ3-CD2 4.28Å
375E93.2Very high94.6Very high102 Ų10247.7 Ų47.748%0.47724%0.24SC..Hα-helixtrans-68.9-46178.1-70.2-178.2179.500112.1H371 N372 G377 R378 R379H371-E375 PolarHBondContact O-N 3.18Å; N372-E375 PolarHBondContact O-N 3.09Å; N372-E375 VanDerWaalsContact O-N 3.12Å; E375-G377 VanDerWaalsContact C-N 3.33Å; E375-R378 PolarHBondContact O-N 3.44Å; E375-R379 WeakPolarHBondContact O-CG 3.45Å; E375-R379 PolarHBondContact O-N 3.17Å
376V95.4Very high94.5Very high0 Ų051.2 Ų51.20%026%0.258CS..Hα-helixtrans-60.5-46.6173.9179.70000109.7D351 F353 L365 N372 R378 R379 H380D351-V376 HydrophobicContact CB-CG1 4.15Å; F353-V376 HydrophobicContact CB-CG2 4.08Å; F353-V376 HydrophobicContact CD1-CG2 3.75Å; F353-V376 HydrophobicContact CE1-CG2 4.48Å; F353-V376 HydrophobicContact CG-CG2 3.98Å; L365-V376 HydrophobicContact CD1-CB 4.41Å; L365-V376 HydrophobicContact CD1-CG1 3.55Å; L365-V376 HydrophobicContact CD2-CB 4.07Å; L365-V376 HydrophobicContact CD2-CG1 3.86Å; L365-V376 HydrophobicContact CD2-CG2 4.42Å; L365-V376 HydrophobicContact CG-CG1 4.37Å; N372-V376 VanDerWaalsContact O-CG2 3.31Å; N372-V376 WeakPolarHBondContact O-CG2 3.34Å; N372-V376 PolarHBondContact O-N 3.45Å; V376-R378 VanDerWaalsContact C-N 3.26Å; V376-R378 PolarHBondContact O-N 3.03Å; V376-R379 VanDerWaalsContact CG2-NH2 3.26Å; V376-R379 PolarHBondContact O-N 3.25Å; V376-R379 VanDerWaalsContact O-N 3.07Å; V376-H380 PolarHBondContact O-CD2 3.48Å; V376-H380 VanDerWaalsContact O-CD2 3.31Å; V376-H380 PolarHBondContact O-N 3.39Å
377G95.1Very high94.5Very high2 Ų251.2 Ų51.22%0.02126%0.258CS..Hα-helixtrans-56.8-39.3177.600000112.5D373 E375 H380 S381 L382D373-G377 WeakPolarHBondContact O-CA 3.44Å; D373-G377 PolarHBondContact O-N 2.99Å; E375-G377 VanDerWaalsContact C-N 3.33Å; G377-H380 CarbonylContact O-C 3.52Å; G377-S381 CarbonylContact O-C 3.45Å; G377-S381 WeakPolarHBondContact O-CA 3.35Å; G377-S381 PolarHBondContact O-N 3.23Å; G377-L382 PolarHBondContact O-N 3.25Å
378R93Very high94.6Very high155 Ų15551.2 Ų51.259%0.58526%0.258SS*.Hα-helixtrans-68.2-42.6174.4-161.5-173.1-50.9152.914.2112.5W374 E375 V376 H380 S381W374-R378 PolarHBondContact O-N 2.92Å; E375-R378 PolarHBondContact O-N 3.44Å; V376-R378 VanDerWaalsContact C-N 3.26Å; V376-R378 PolarHBondContact O-N 3.03Å; R378-H380 VanDerWaalsContact C-N 3.27Å; R378-H380 PolarHBondContact O-N 3.16Å; R378-S381 PolarHBondContact O-N 3.07Å
379R95.7Very high94.6Very high129 Ų12951.8 Ų51.849%0.48726%0.264SS..Hα-helixtrans-60.4-37.2177.4-71.4-169.3-65.9-93.312.8112.2D351 E375 V376D351-R379 IonicContact OD1-CZ 2.82Å; D351-R379 IonicContact OD1-NE 2.72Å; D351-R379 IonicContact OD1-NH2 3.47Å; D351-R379 PolarHBondContact OD1-NH2 2.72Å; D351-R379 IonicContact OD2-CZ 3.4Å; D351-R379 IonicContact OD2-NE 2.68Å; D351-R379 PolarHBondContact OD2-NE 3.11Å; D351-R379 IonicContact OD2-NH2 2.74Å; D351-R379 PolarHBondContact OD2-NH2 3.38Å; E375-R379 WeakPolarHBondContact O-CG 3.45Å; E375-R379 PolarHBondContact O-N 3.17Å; V376-R379 VanDerWaalsContact CG2-NH2 3.26Å; V376-R379 PolarHBondContact O-N 3.25Å; V376-R379 VanDerWaalsContact O-N 3.07Å
380H96Very high94.6Very high63 Ų6356 Ų5629%0.29228%0.283SS..THydrogen-bonded Turntrans-101.710.9-178.3-64.7-77.9000114.2V349 G350 D351 V376 G377 R378 L382V349-H380 HydrophobicContact CG1-CB 4.21Å; G350-H380 PolarHBondContact O-CE1 3.22Å; D351-H380 IonicContact OD2-CD2 3.93Å; D351-H380 PolarHBondContact OD2-CD2 2.81Å; D351-H380 IonicContact OD2-NE2 3.72Å; D351-H380 PolarHBondContact OD2-NE2 3.03Å; V376-H380 PolarHBondContact O-CD2 3.48Å; V376-H380 VanDerWaalsContact O-CD2 3.31Å; V376-H380 PolarHBondContact O-N 3.39Å; G377-H380 CarbonylContact O-C 3.52Å; R378-H380 VanDerWaalsContact C-N 3.27Å; R378-H380 PolarHBondContact O-N 3.16Å; H380-L382 VanDerWaalsContact C-N 3.26Å; H380-L382 HydrophobicContact CB-CD2 4.26Å; H380-L382 HydrophobicContact CB-CG 4.03Å; H380-L382 PolarHBondContact O-N 3.3Å
381S95.1Very high94.5Very high109 Ų10956.5 Ų56.576%0.76229%0.286SS*.THydrogen-bonded Turntrans51.839.5-179.8-54.80000114.4G377 R378G377-S381 CarbonylContact O-C 3.45Å; G377-S381 WeakPolarHBondContact O-CA 3.35Å; G377-S381 PolarHBondContact O-N 3.23Å; R378-S381 PolarHBondContact O-N 3.07Å
382L95.3Very high94.7Very high17 Ų1752.9 Ų52.99%0.08927%0.269CS..  trans-76.7143.7-178.8-58.9-177.6000111.9P347 L365 P367 G377 H380P347-L382 HydrophobicContact CG-CD2 3.67Å; L365-L382 HydrophobicContact CB-CD1 4.19Å; L365-L382 HydrophobicContact CD1-CD1 3.39Å; L365-L382 HydrophobicContact CG-CD1 4.47Å; P367-L382 HydrophobicContact CG-CB 4.29Å; G377-L382 PolarHBondContact O-N 3.25Å; H380-L382 VanDerWaalsContact C-N 3.26Å; H380-L382 HydrophobicContact CB-CD2 4.26Å; H380-L382 HydrophobicContact CB-CG 4.03Å; H380-L382 PolarHBondContact O-N 3.3Å
383P94Very high94.9Very high84 Ų8452.1 Ų52.155%0.54527%0.265SS..  trans-59.9150.4174-21.631.3000112.3T317T317-P383 WeakPolarHBondContact CB-O 3.41Å; T317-P383 HydrophobicContact CG2-CB 4.11Å; T317-P383 VanDerWaalsContact CG2-O 3.27Å; T317-P383 WeakPolarHBondContact CG2-O 3.37Å; T317-P383 PolarHBondContact OG1-O 3.43Å
384T92.3Very high95Very high58 Ų5852 Ų5236%0.35626%0.264SS..  trans-109.7113.7178.6-41.90000109.8P367 A368 W374 L448P367-T384 HydrophobicContact CB-CG2 4.36Å; A368-T384 HydrophobicContact CB-CG2 3.59Å; W374-T384 HydrophobicContact CE3-CG2 4.26Å; W374-T384 HydrophobicContact CZ3-CG2 3.82Å; T384-L448 HydrophobicContact CG2-CD2 3.84Å
385V94.6Very high95.2Very high28 Ų2851.8 Ų51.817%0.1727%0.267CS..  trans-116.3113.5-175.1-177.40000110.9T317 A368 H369 V387 A397T317-V385 HydrophobicContact CG2-CB 4.35Å; T317-V385 HydrophobicContact CG2-CG2 3.62Å; A368-V385 VanDerWaalsContact CB-O 3.23Å; A368-V385 WeakPolarHBondContact CB-O 3.38Å; H369-V385 PolarHBondContact NE2-O 3.35Å; V385-V387 HydrophobicContact CG1-CG1 3.96Å; V385-V387 PolarHBondContact O-N 2.87Å; V385-A397 HydrophobicContact CG1-CB 3.77Å
386I95.1Very high95.3Very high74 Ų7450.7 Ų50.738%0.37927%0.271SS..  trans-85.697.8-179.5-56.9173.9000109.8A368 I388 T395A368-I386 HydrophobicContact CB-CG1 4.12Å; I386-I388 WeakPolarHBondContact CG2-O 3.46Å; I386-T395 PolarHBondContact O-OG1 3.44Å
387V96.9Very high95.2Very high0 Ų052.3 Ų52.30%029%0.285CS..  trans-92.5-19.8177.5-65.80000115.4L314 G315 H369 V385 M394 T395 A397 A398L314-V387 HydrophobicContact CB-CG1 4.32Å; L314-V387 WeakPolarHBondContact O-CG1 3.3Å; G315-V387 VanDerWaalsContact CA-CG1 3.44Å; H369-V387 PolarHBondContact NE2-N 3.42Å; H369-V387 VanDerWaalsContact NE2-N 3.14Å; V385-V387 HydrophobicContact CG1-CG1 3.96Å; V385-V387 PolarHBondContact O-N 2.87Å; V387-M394 HydrophobicContact CB-CE 3.98Å; V387-M394 HydrophobicContact CG2-CE 4.18Å; V387-M394 CarbonylContact O-C 3.44Å; V387-M394 VanDerWaalsContact O-CA 3.25Å; V387-M394 WeakPolarHBondContact O-CA 3.46Å; V387-M394 WeakPolarHBondContact O-CE 3.21Å; V387-T395 WeakPolarHBondContact CA-OG1 3.2Å; V387-T395 PolarHBondContact O-N 2.97Å; V387-T395 PolarHBondContact O-OG1 2.84Å; V387-A397 HydrophobicContact CG1-CB 4.29Å; V387-A398 HydrophobicContact CB-CB 4.13Å; V387-A398 HydrophobicContact CG1-CB 4.29Å
388I97.1Very high95.3Very high1 Ų152.2 Ų52.21%0.00528%0.284CS..BIsolated β-bridgetrans-108.2122.6174.9-60168.8000108.1E311 T312 H369 I386 M394 R407E311-I388 HydrophobicContact CG-CD1 4.31Å; T312-I388 HydrophobicContact CG2-CD1 4.17Å; H369-I388 PolarHBondContact CE1-N 2.77Å; I386-I388 WeakPolarHBondContact CG2-O 3.46Å; I388-M394 HydrophobicContact CG1-CE 4.27Å; I388-M394 HydrophobicContact CG1-SD 3.93Å; I388-R407 HydrophobicContact CD1-CB 4.23Å; I388-R407 HydrophobicContact CG1-CB 4.33Å; I388-R407 HydrophobicContact CG2-CB 4.38Å
389G95.2Very high95.2Very high13 Ų1345.3 Ų45.313%0.13426%0.26CS..  trans-79.1171.1177.900000113.3D391 G392 L393 M447G389-D391 PolarHBondContact O-N 2.87Å; G389-D391 VanDerWaalsContact O-N 3.15Å; G389-G392 PolarHBondContact O-N 3.43Å; G389-L393 PolarHBondContact N-O 2.93Å; G389-M447 WeakPolarHBondContact O-CE 3.5Å
390E93.9Very high95.1Very high90 Ų9045.3 Ų45.342%0.42128%0.277SS..THydrogen-bonded Turntrans-59.6-26.7-177-69.5-178.3-150.800114.1W245 C247 M447 K449W245-E390 HydrophobicContact CH2-CG 4.39Å; W245-E390 HydrophobicContact CZ2-CB 3.76Å; W245-E390 HydrophobicContact CZ2-CG 3.77Å; W245-E390 PolarHBondContact NE1-O 3.49Å; C247-E390 WeakPolarHBondContact CA-O 3.48Å; E390-M447 HydrophobicContact CG-SD 4.05Å; E390-K449 IonicContact OE1-NZ 3.38Å; E390-K449 PolarHBondContact OE1-NZ 2.72Å; E390-K449 IonicContact OE2-NZ 3.62Å; E390-K449 PolarHBondContact OE2-NZ 2.61Å
391D93.8Very high95Very high62 Ų6248.5 Ų48.533%0.33229%0.287SS..THydrogen-bonded Turntrans-91-0.2177.560.5-1.8000113.4R250 G389 L393R250-D391 VanDerWaalsContact NH2-CB 3.28Å; R250-D391 IonicContact NH2-OD2 2.69Å; G389-D391 PolarHBondContact O-N 2.87Å; G389-D391 VanDerWaalsContact O-N 3.15Å; D391-L393 VanDerWaalsContact C-N 3.31Å; D391-L393 WeakPolarHBondContact OD1-CB 2.98Å; D391-L393 PolarHBondContact OD1-N 2.99Å; D391-L393 WeakPolarHBondContact OD2-CD1 3.41Å
392G95.2Very high95Very high1 Ų143.4 Ų43.41%0.0125%0.251CS..SBendtrans79.411.4-177.800000114.3C247 G389 R407C247-G392 VanDerWaalsContact SG-CA 3.55Å; G389-G392 PolarHBondContact O-N 3.43Å; G392-R407 WeakPolarHBondContact O-CB 3.38Å; G392-R407 PolarHBondContact O-N 3.27Å
393L96.9Very high95.1Very high58 Ų5847.6 Ų47.630%0.30427%0.27SS..BIsolated β-bridgetrans-86.6151.3168.8-57.2-176000110.6G389 D391 L405 Q406G389-L393 PolarHBondContact N-O 2.93Å; D391-L393 VanDerWaalsContact C-N 3.31Å; D391-L393 WeakPolarHBondContact OD1-CB 2.98Å; D391-L393 PolarHBondContact OD1-N 2.99Å; D391-L393 WeakPolarHBondContact OD2-CD1 3.41Å; L393-L405 CarbonylContact C-O 3.6Å; L393-L405 WeakPolarHBondContact CA-O 3.27Å; L393-Q406 HydrophobicContact CD2-CB 4.35Å; L393-Q406 HydrophobicContact CD2-CG 3.65Å
394M97.8Very high95.2Very high5 Ų545.9 Ų45.93%0.02527%0.267CS..BIsolated β-bridgetrans-71.1133.2175.2-59.3-51.9-66.400110.2L314 V387 I388 A398 F402 G404 L405 R407 A410L314-M394 HydrophobicContact CD1-CE 3.87Å; V387-M394 HydrophobicContact CB-CE 3.98Å; V387-M394 HydrophobicContact CG2-CE 4.18Å; V387-M394 CarbonylContact O-C 3.44Å; V387-M394 VanDerWaalsContact O-CA 3.25Å; V387-M394 WeakPolarHBondContact O-CA 3.46Å; V387-M394 WeakPolarHBondContact O-CE 3.21Å; I388-M394 HydrophobicContact CG1-CE 4.27Å; I388-M394 HydrophobicContact CG1-SD 3.93Å; M394-A398 HydrophobicContact CB-CB 3.93Å; M394-A398 HydrophobicContact CE-CB 3.69Å; M394-F402 WeakPolarHBondContact CB-O 3.42Å; M394-G404 PolarHBondContact O-N 3.47Å; M394-L405 HydrophobicContact CG-CB 4.27Å; M394-L405 WeakPolarHBondContact CG-O 3.39Å; M394-L405 PolarHBondContact N-O 2.65Å; M394-R407 HydrophobicContact SD-CB 4.18Å; M394-A410 HydrophobicContact CE-CB 4.44Å; M394-A410 HydrophobicContact CG-CB 3.47Å; M394-A410 VanDerWaalsContact CG-CB 3.47Å; M394-A410 HydrophobicContact SD-CB 3.74Å
395T97.3Very high95.5Very high36 Ų3645.8 Ų45.822%0.22126%0.264CS..PPolyproline II helixtrans-79.7172.1177.970.80000111.4I386 V387 A397 A398I386-T395 PolarHBondContact O-OG1 3.44Å; V387-T395 WeakPolarHBondContact CA-OG1 3.2Å; V387-T395 PolarHBondContact O-N 2.97Å; V387-T395 PolarHBondContact O-OG1 2.84Å; T395-A397 PolarHBondContact O-N 3.06Å; T395-A397 PolarHBondContact OG1-N 3.41Å; T395-A398 WeakPolarHBondContact O-CB 3.27Å; T395-A398 PolarHBondContact O-N 3.48Å
396S95.5Very high95.6Very high80 Ų8047.7 Ų47.756%0.55927%0.271SS*.G310 helixtrans-58.5-25.9172.658.30000113.6A398 G399 E403S396-A398 PolarHBondContact O-N 2.79Å; S396-G399 PolarHBondContact O-N 2.92Å; S396-E403 VanDerWaalsContact CA-CD 3.43Å; S396-E403 WeakPolarHBondContact CB-OE1 3.46Å
397A94.5Very high95.6Very high34 Ų3444.4 Ų44.428%0.28125%0.254SS..G310 helixtrans-67.1-16.2176.300000113.3R344 V385 V387 T395 G399R344-A397 PolarHBondContact NH2-O 2.74Å; V385-A397 HydrophobicContact CG1-CB 3.77Å; V387-A397 HydrophobicContact CG1-CB 4.29Å; T395-A397 PolarHBondContact O-N 3.06Å; T395-A397 PolarHBondContact OG1-N 3.41Å; A397-G399 PolarHBondContact O-N 2.77Å
398A95.2Very high95.6Very high0 Ų044.7 Ų44.70%026%0.255CS..G310 helixtrans-76.6-4.8171.500000112.9L314 I341 V387 M394 T395 S396 F402L314-A398 HydrophobicContact CB-CB 4.36Å; L314-A398 HydrophobicContact CD1-CB 4.06Å; I341-A398 WeakPolarHBondContact CD1-O 3.36Å; V387-A398 HydrophobicContact CB-CB 4.13Å; V387-A398 HydrophobicContact CG1-CB 4.29Å; M394-A398 HydrophobicContact CB-CB 3.93Å; M394-A398 HydrophobicContact CE-CB 3.69Å; T395-A398 WeakPolarHBondContact O-CB 3.27Å; T395-A398 PolarHBondContact O-N 3.48Å; S396-A398 PolarHBondContact O-N 2.79Å; A398-F402 HydrophobicContact CB-CB 4.22Å; A398-F402 WeakPolarHBondContact O-CD2 3.38Å
399G92.7Very high95.6Very high9 Ų947.7 Ų47.79%0.09327%0.274CS..  trans85.9157.7-179.300000113.5S396 A397 R401 F402 E403S396-G399 PolarHBondContact O-N 2.92Å; A397-G399 PolarHBondContact O-N 2.77Å; G399-R401 PolarHBondContact O-N 2.91Å; G399-R401 VanDerWaalsContact O-N 3.1Å; G399-F402 PolarHBondContact O-N 3.09Å; G399-E403 PolarHBondContact O-N 3.07Å
400P91.8Very high95.7Very high130 Ų13047.1 Ų47.184%0.84427%0.267SS*.THydrogen-bonded Turntrans-64.3-21.5-17124.8-35.1000114.1F402P400-F402 VanDerWaalsContact C-N 3.32Å
401R93.9Very high95.9Very high129 Ų12944.2 Ų44.249%0.48725%0.252SS..THydrogen-bonded Turntrans-72.6-25175.7-178174.2179.1173.23.3112.7G399 A417 E420G399-R401 PolarHBondContact O-N 2.91Å; G399-R401 VanDerWaalsContact O-N 3.1Å; R401-A417 VanDerWaalsContact CZ-CB 3.48Å; R401-E420 IonicContact CZ-OE2 2.94Å; R401-E420 IonicContact NH1-OE2 3Å; R401-E420 PolarHBondContact NH1-OE2 3.1Å; R401-E420 IonicContact NH2-OE1 3.88Å; R401-E420 IonicContact NH2-OE2 3.13Å; R401-E420 PolarHBondContact NH2-OE2 2.99Å
402F96.9Very high96Very high2 Ų245.5 Ų45.51%0.00926%0.26CS..THydrogen-bonded Turntrans-121.1-18.2-170.2-55.3-76.8000113.9L314 L340 M394 A398 G399 P400 G404 L405 A413 V414 A417L314-F402 HydrophobicContact CD1-CB 3.73Å; L314-F402 HydrophobicContact CD1-CD1 4.15Å; L314-F402 HydrophobicContact CD1-CD2 3.74Å; L314-F402 HydrophobicContact CD1-CE2 4.41Å; L314-F402 HydrophobicContact CD1-CG 3.59Å; L314-F402 HydrophobicContact CD2-CD2 3.66Å; L314-F402 HydrophobicContact CD2-CE2 3.7Å; L314-F402 HydrophobicContact CD2-CG 4.35Å; L314-F402 HydrophobicContact CD2-CZ 4.42Å; L314-F402 HydrophobicContact CG-CD2 4.38Å; L340-F402 HydrophobicContact CB-CE2 4.13Å; L340-F402 HydrophobicContact CD1-CE2 4.08Å; L340-F402 HydrophobicContact CD1-CZ 3.84Å; M394-F402 WeakPolarHBondContact CB-O 3.42Å; A398-F402 HydrophobicContact CB-CB 4.22Å; A398-F402 WeakPolarHBondContact O-CD2 3.38Å; G399-F402 PolarHBondContact O-N 3.09Å; P400-F402 VanDerWaalsContact C-N 3.32Å; F402-G404 PolarHBondContact O-N 3.13Å; F402-L405 HydrophobicContact CB-CD1 4.47Å; F402-L405 HydrophobicContact CD1-CD1 4.24Å; F402-L405 VanDerWaalsContact O-CB 3.28Å; F402-L405 WeakPolarHBondContact O-CB 3.28Å; F402-L405 VanDerWaalsContact O-CG 3.31Å; F402-L405 WeakPolarHBondContact O-CG 3.41Å; F402-L405 PolarHBondContact O-N 2.89Å; F402-L405 VanDerWaalsContact O-N 3.14Å; F402-A413 HydrophobicContact CD1-CB 4.08Å; F402-A413 HydrophobicContact CE1-CB 3.92Å; F402-V414 HydrophobicContact CD1-CG2 3.97Å; F402-V414 HydrophobicContact CE1-CB 4.45Å; F402-V414 HydrophobicContact CE1-CG2 3.67Å; F402-V414 HydrophobicContact CZ-CG2 4.06Å; F402-A417 HydrophobicContact CZ-CB 4.05Å
403E96.7Very high96Very high106 Ų10646.7 Ų46.750%0.49527%0.269SS..THydrogen-bonded Turntrans-49.8135.3175.9-179173-170.500112S396 G399 L405S396-E403 VanDerWaalsContact CA-CD 3.43Å; S396-E403 WeakPolarHBondContact CB-OE1 3.46Å; G399-E403 PolarHBondContact O-N 3.07Å; E403-L405 PolarHBondContact O-N 3.2Å
404G96.6Very high96.1Very high47 Ų4743.9 Ų43.949%0.48525%0.254SS..THydrogen-bonded Turntrans78.6-9.318000000115.3M394 F402M394-G404 PolarHBondContact O-N 3.47Å; F402-G404 PolarHBondContact O-N 3.13Å
405L97Very high96Very high56 Ų5647 Ų4729%0.29327%0.266SS..SBendtrans-69.8149.2173.7-62.5-177.9000111.1L393 M394 F402 E403 A410 A413L393-L405 CarbonylContact C-O 3.6Å; L393-L405 WeakPolarHBondContact CA-O 3.27Å; M394-L405 HydrophobicContact CG-CB 4.27Å; M394-L405 WeakPolarHBondContact CG-O 3.39Å; M394-L405 PolarHBondContact N-O 2.65Å; F402-L405 HydrophobicContact CB-CD1 4.47Å; F402-L405 HydrophobicContact CD1-CD1 4.24Å; F402-L405 VanDerWaalsContact O-CB 3.28Å; F402-L405 WeakPolarHBondContact O-CB 3.28Å; F402-L405 VanDerWaalsContact O-CG 3.31Å; F402-L405 WeakPolarHBondContact O-CG 3.41Å; F402-L405 PolarHBondContact O-N 2.89Å; F402-L405 VanDerWaalsContact O-N 3.14Å; E403-L405 PolarHBondContact O-N 3.2Å; L405-A410 HydrophobicContact CB-CB 4.17Å; L405-A413 HydrophobicContact CD1-CB 4.09Å
406Q96.9Very high96Very high69 Ų6950.7 Ų50.732%0.32228%0.279SS..BIsolated β-bridgetrans-68140167.9-69.8-178-19.100110.4G273 Y274 L393 F408 V409 A410G273-Q406 PolarHBondContact O-NE2 3.16Å; G273-Q406 VanDerWaalsContact O-NE2 3.09Å; Y274-Q406 VanDerWaalsContact CD1-OE1 3.28Å; Y274-Q406 HydrophobicContact CE1-CB 3.65Å; Y274-Q406 HydrophobicContact CE1-CG 4.43Å; Y274-Q406 VanDerWaalsContact CE1-OE1 3.22Å; L393-Q406 HydrophobicContact CD2-CB 4.35Å; L393-Q406 HydrophobicContact CD2-CG 3.65Å; Q406-F408 VanDerWaalsContact C-N 3.29Å; Q406-F408 PolarHBondContact O-N 3.3Å; Q406-F408 VanDerWaalsContact O-N 3.08Å; Q406-V409 HydrophobicContact CB-CB 4.32Å; Q406-V409 HydrophobicContact CB-CG2 4.08Å; Q406-V409 CarbonylContact O-C 3.6Å; Q406-V409 WeakPolarHBondContact O-CA 3.47Å; Q406-V409 WeakPolarHBondContact O-CB 3.28Å; Q406-V409 PolarHBondContact O-N 3.37Å; Q406-A410 PolarHBondContact O-N 3.05Å
407R96.4Very high96.1Very high5 Ų546.9 Ų46.92%0.01925%0.252CS..Hα-helixtrans-50.6-38.4-172.663.8-172.5-169-84.53.4115.5Y274 E311 I388 G392 M394 A410 R411 D442 I443 E445Y274-R407 VanDerWaalsContact OH-CG 3.32Å; Y274-R407 WeakPolarHBondContact OH-CG 3.43Å; Y274-R407 PolarHBondContact OH-N 3.34Å; E311-R407 VanDerWaalsContact CB-O 3.22Å; E311-R407 WeakPolarHBondContact CB-O 3.4Å; E311-R407 HydrophobicContact CG-CB 4.49Å; I388-R407 HydrophobicContact CD1-CB 4.23Å; I388-R407 HydrophobicContact CG1-CB 4.33Å; I388-R407 HydrophobicContact CG2-CB 4.38Å; G392-R407 WeakPolarHBondContact O-CB 3.38Å; G392-R407 PolarHBondContact O-N 3.27Å; M394-R407 HydrophobicContact SD-CB 4.18Å; R407-A410 WeakPolarHBondContact O-CB 3.32Å; R407-A410 PolarHBondContact O-N 3.4Å; R407-R411 PolarHBondContact O-N 2.86Å; R407-R411 VanDerWaalsContact O-N 3.09Å; R407-D442 IonicContact CZ-OD1 3.06Å; R407-D442 IonicContact NH2-OD1 3.91Å; R407-D442 PolarHBondContact NH2-OD1 3.33Å; R407-D442 IonicContact NH2-OD2 2.61Å; R407-I443 PolarHBondContact NH2-O 2.91Å; R407-I443 VanDerWaalsContact NH2-O 3.09Å; R407-E445 VanDerWaalsContact CD-OE1 3.32Å; R407-E445 WeakPolarHBondContact CD-OE1 3.27Å; R407-E445 IonicContact CZ-OE1 2.76Å; R407-E445 IonicContact NE-OE1 2.68Å; R407-E445 PolarHBondContact NE-OE1 3.43Å; R407-E445 IonicContact NH2-OE1 3.8Å
408F97.2Very high96.2Very high6 Ų645.2 Ų45.23%0.02624%0.239CC..Hα-helixtrans-83.9-21.4177.6-54.4-52.8000114V271 Y274 V278 F280 Q406 R411 I443V271-F408 HydrophobicContact CB-CD2 4.46Å; V271-F408 HydrophobicContact CB-CE2 4.4Å; V271-F408 HydrophobicContact CG1-CD2 4.12Å; V271-F408 HydrophobicContact CG1-CE2 3.76Å; V271-F408 HydrophobicContact CG2-CD2 4.18Å; V271-F408 HydrophobicContact CG2-CE2 4.01Å; Y274-F408 HydrophobicContact CD1-CB 4.35Å; Y274-F408 HydrophobicContact CD2-CD2 4.37Å; Y274-F408 HydrophobicContact CE1-CB 3.63Å; Y274-F408 AromaticContact CE1-CD2 3.87Å; Y274-F408 HydrophobicContact CE1-CD2 3.87Å; Y274-F408 HydrophobicContact CE1-CG 4.22Å; Y274-F408 AromaticContact CE2-CD2 3.67Å; Y274-F408 HydrophobicContact CE2-CD2 3.67Å; Y274-F408 HydrophobicContact CE2-CE2 4.22Å; Y274-F408 AromaticContact CZ-CD2 3.37Å; Y274-F408 WeakPolarHBondContact OH-CD2 3.48Å; Y274-F408 PolarHBondContact OH-N 3.39Å; V278-F408 HydrophobicContact CB-CB 4.4Å; V278-F408 HydrophobicContact CB-CG 4.45Å; V278-F408 HydrophobicContact CG1-CB 3.66Å; V278-F408 HydrophobicContact CG1-CD1 3.98Å; V278-F408 HydrophobicContact CG1-CD2 4.16Å; V278-F408 HydrophobicContact CG1-CG 3.66Å; V278-F408 HydrophobicContact CG2-CB 3.8Å; V278-F408 HydrophobicContact CG2-CD2 4.02Å; V278-F408 HydrophobicContact CG2-CG 4.1Å; F280-F408 AromaticContact CE1-CE1 3.9Å; F280-F408 HydrophobicContact CE1-CE1 3.9Å; F280-F408 HydrophobicContact CE1-CZ 4.08Å; F280-F408 HydrophobicContact CZ-CD1 4.29Å; F280-F408 AromaticContact CZ-CE1 3.82Å; F280-F408 HydrophobicContact CZ-CE1 3.82Å; F280-F408 HydrophobicContact CZ-CE2 4.13Å; F280-F408 AromaticContact CZ-CZ 3.74Å; F280-F408 HydrophobicContact CZ-CZ 3.74Å; Q406-F408 VanDerWaalsContact C-N 3.29Å; Q406-F408 PolarHBondContact O-N 3.3Å; Q406-F408 VanDerWaalsContact O-N 3.08Å; F408-R411 VanDerWaalsContact CE1-NH2 3.31Å; F408-R411 WeakPolarHBondContact O-CB 3.41Å; F408-I443 HydrophobicContact CE2-CB 4.44Å; F408-I443 HydrophobicContact CE2-CG1 4.2Å; F408-I443 HydrophobicContact CZ-CB 4.01Å; F408-I443 HydrophobicContact CZ-CG1 4.02Å; F408-I443 HydrophobicContact CZ-CG2 4.32Å
409V96.7Very high96.3Very high64 Ų6449.7 Ų49.739%0.38826%0.262SS..Hα-helixtrans-72.5-38167.3177.60000109.7Y274 Q406 R411 D412 A413Y274-V409 HydrophobicContact CD1-CG2 4.48Å; Y274-V409 HydrophobicContact CE1-CG2 4.25Å; Q406-V409 HydrophobicContact CB-CB 4.32Å; Q406-V409 HydrophobicContact CB-CG2 4.08Å; Q406-V409 CarbonylContact O-C 3.6Å; Q406-V409 WeakPolarHBondContact O-CA 3.47Å; Q406-V409 WeakPolarHBondContact O-CB 3.28Å; Q406-V409 PolarHBondContact O-N 3.37Å; V409-R411 VanDerWaalsContact C-N 3.3Å; V409-R411 PolarHBondContact O-N 2.9Å; V409-D412 PolarHBondContact O-N 3.42Å; V409-A413 PolarHBondContact O-N 2.92Å
410A97.1Very high96.5Very high0 Ų055.5 Ų55.50%029%0.287CS..Hα-helixtrans-61.2-38173.300000111.6E311 M394 L405 Q406 R407 D412 A413 V414E311-A410 HydrophobicContact CB-CB 4.45Å; M394-A410 HydrophobicContact CE-CB 4.44Å; M394-A410 HydrophobicContact CG-CB 3.47Å; M394-A410 VanDerWaalsContact CG-CB 3.47Å; M394-A410 HydrophobicContact SD-CB 3.74Å; L405-A410 HydrophobicContact CB-CB 4.17Å; Q406-A410 PolarHBondContact O-N 3.05Å; R407-A410 WeakPolarHBondContact O-CB 3.32Å; R407-A410 PolarHBondContact O-N 3.4Å; A410-D412 VanDerWaalsContact C-N 3.34Å; A410-D412 PolarHBondContact O-N 3.49Å; A410-A413 PolarHBondContact O-N 3.03Å; A410-V414 WeakPolarHBondContact O-CB 3.44Å; A410-V414 VanDerWaalsContact O-CG2 3.23Å; A410-V414 WeakPolarHBondContact O-CG2 3.37Å; A410-V414 PolarHBondContact O-N 2.85Å
411R97.1Very high96.6Very high29 Ų2953.7 Ų53.711%0.10927%0.27CS..Hα-helixtrans-51.8-51.1172.2-174.5-175.3-69.8174.6-1.4112A279 L310 E311 R407 F408 V409 R415A279-R411 PolarHBondContact O-NH1 3.29Å; L310-R411 HydrophobicContact CB-CG 4.08Å; E311-R411 HydrophobicContact CB-CB 4.04Å; E311-R411 IonicContact OE1-CZ 2.71Å; E311-R411 IonicContact OE1-NE 3.93Å; E311-R411 IonicContact OE1-NH2 2.61Å; E311-R411 PolarHBondContact OE1-NH2 3.21Å; E311-R411 WeakPolarHBondContact OE2-CG 3.35Å; E311-R411 IonicContact OE2-CZ 3.8Å; E311-R411 IonicContact OE2-NE 3.82Å; E311-R411 PolarHBondContact OE2-NE 2.78Å; E311-R411 IonicContact OE2-NH2 2.74Å; E311-R411 PolarHBondContact OE2-NH2 3.35Å; R407-R411 PolarHBondContact O-N 2.86Å; R407-R411 VanDerWaalsContact O-N 3.09Å; F408-R411 VanDerWaalsContact CE1-NH2 3.31Å; F408-R411 WeakPolarHBondContact O-CB 3.41Å; V409-R411 VanDerWaalsContact C-N 3.3Å; V409-R411 PolarHBondContact O-N 2.9Å; R411-R415 PolarHBondContact O-N 3.46Å
412D95.8Very high96.7Very high90 Ų9049.7 Ų49.748%0.48127%0.269SS..Hα-helixtrans-67.5-38179-74.1-32.5000112.4V409 A410 R415 K416V409-D412 PolarHBondContact O-N 3.42Å; A410-D412 VanDerWaalsContact C-N 3.34Å; A410-D412 PolarHBondContact O-N 3.49Å; D412-R415 PolarHBondContact O-N 3.17Å; D412-K416 WeakPolarHBondContact O-CG 3.29Å; D412-K416 PolarHBondContact O-N 2.97Å; D412-K416 VanDerWaalsContact O-N 3.13Å
413A96.9Very high96.7Very high25 Ų2550.5 Ų50.521%0.20727%0.273CS..Hα-helixtrans-66-42.1177.700000112F402 L405 V409 A410 K416 A417F402-A413 HydrophobicContact CD1-CB 4.08Å; F402-A413 HydrophobicContact CE1-CB 3.92Å; L405-A413 HydrophobicContact CD1-CB 4.09Å; V409-A413 PolarHBondContact O-N 2.92Å; A410-A413 PolarHBondContact O-N 3.03Å; A413-K416 PolarHBondContact O-N 2.71Å; A413-A417 WeakPolarHBondContact O-CB 3.41Å; A413-A417 PolarHBondContact O-N 3.11Å
414V97.7Very high96.7Very high0 Ų047.7 Ų47.70%026%0.258CS..Hα-helixtrans-63.8-44.1175.8170.30000110.3L310 M313 L314 L340 F402 A410 K416 A417 L418L310-V414 HydrophobicContact CD1-CG1 4.37Å; L310-V414 HydrophobicContact CD2-CB 4.47Å; L310-V414 HydrophobicContact CD2-CG1 4.07Å; L310-V414 HydrophobicContact CG-CB 4.4Å; L310-V414 HydrophobicContact CG-CG1 3.73Å; M313-V414 HydrophobicContact CG-CG1 3.64Å; M313-V414 HydrophobicContact SD-CG1 3.77Å; L314-V414 HydrophobicContact CD1-CG2 3.61Å; L314-V414 HydrophobicContact CD2-CG2 4.12Å; L314-V414 HydrophobicContact CG-CG2 3.87Å; L340-V414 HydrophobicContact CD1-CB 4.43Å; L340-V414 HydrophobicContact CD1-CG1 3.84Å; L340-V414 HydrophobicContact CD1-CG2 4.37Å; F402-V414 HydrophobicContact CD1-CG2 3.97Å; F402-V414 HydrophobicContact CE1-CB 4.45Å; F402-V414 HydrophobicContact CE1-CG2 3.67Å; F402-V414 HydrophobicContact CZ-CG2 4.06Å; A410-V414 WeakPolarHBondContact O-CB 3.44Å; A410-V414 VanDerWaalsContact O-CG2 3.23Å; A410-V414 WeakPolarHBondContact O-CG2 3.37Å; A410-V414 PolarHBondContact O-N 2.85Å; V414-K416 VanDerWaalsContact C-N 3.34Å; V414-K416 PolarHBondContact O-N 3.35Å; V414-A417 PolarHBondContact O-N 2.85Å; V414-L418 HydrophobicContact CG1-CD1 3.93Å; V414-L418 HydrophobicContact CG1-CG 4.37Å; V414-L418 WeakPolarHBondContact O-CG 3.4Å; V414-L418 PolarHBondContact O-N 3.2Å
415R97.1Very high96.7Very high70 Ų7050 Ų5026%0.26425%0.253SS..Hα-helixtrans-55.7-48.9176-170.2-17062.273.8-0.3111.6L310 R411 D412 L418 D419 Y424L310-R415 HydrophobicContact CD2-CB 3.65Å; L310-R415 HydrophobicContact CD2-CG 4.23Å; R411-R415 PolarHBondContact O-N 3.46Å; D412-R415 PolarHBondContact O-N 3.17Å; R415-L418 PolarHBondContact O-N 3.48Å; R415-D419 WeakPolarHBondContact O-CB 3.42Å; R415-D419 PolarHBondContact O-N 3.05Å; R415-Y424 HydrophobicContact CG-CD2 4.04Å; R415-Y424 HydrophobicContact CG-CE2 3.7Å
416K97.2Very high96.6Very high113 Ų11348.6 Ų48.649%0.49125%0.252SS..Hα-helixtrans-61.5-43.1177.4-70.6174.9-177.6-179.90111.8D412 A413 V414 L418 D419 E420D412-K416 WeakPolarHBondContact O-CG 3.29Å; D412-K416 PolarHBondContact O-N 2.97Å; D412-K416 VanDerWaalsContact O-N 3.13Å; A413-K416 PolarHBondContact O-N 2.71Å; V414-K416 VanDerWaalsContact C-N 3.34Å; V414-K416 PolarHBondContact O-N 3.35Å; K416-L418 VanDerWaalsContact C-N 3.34Å; K416-L418 PolarHBondContact O-N 3.07Å; K416-D419 PolarHBondContact O-N 3.21Å; K416-E420 WeakPolarHBondContact O-CB 3.47Å; K416-E420 VanDerWaalsContact O-CG 3.27Å; K416-E420 WeakPolarHBondContact O-CG 3.5Å; K416-E420 PolarHBondContact O-N 2.93Å
417A96.9Very high96.6Very high0 Ų048.5 Ų48.50%025%0.251CS..Hα-helixtrans-63.1-38.5178.500000112.8L340 R401 F402 A413 V414 L421L340-A417 HydrophobicContact CD1-CB 4.08Å; L340-A417 HydrophobicContact CD2-CB 3.61Å; R401-A417 VanDerWaalsContact CZ-CB 3.48Å; F402-A417 HydrophobicContact CZ-CB 4.05Å; A413-A417 WeakPolarHBondContact O-CB 3.41Å; A413-A417 PolarHBondContact O-N 3.11Å; V414-A417 PolarHBondContact O-N 2.85Å; A417-L421 WeakPolarHBondContact O-CG 3.36Å; A417-L421 PolarHBondContact O-N 2.95Å
418L97Very high96.5Very high0 Ų054.1 Ų54.10%028%0.276CS..Hα-helixtrans-68.8-36.4175.1-70.3169.2000112.1F286 L310 P339 L340 V414 R415 K416 L421 G422 L423 Y424F286-L418 HydrophobicContact CB-CD1 3.9Å; F286-L418 HydrophobicContact CD1-CD1 4.48Å; F286-L418 HydrophobicContact CD2-CD1 4.05Å; F286-L418 HydrophobicContact CD2-CD2 4.17Å; F286-L418 HydrophobicContact CG-CD1 3.89Å; L310-L418 HydrophobicContact CD1-CD1 3.87Å; L310-L418 HydrophobicContact CD2-CD1 4.33Å; L310-L418 HydrophobicContact CG-CD1 4.42Å; P339-L418 HydrophobicContact CG-CD2 3.91Å; L340-L418 HydrophobicContact CD1-CD2 4.43Å; L340-L418 HydrophobicContact CD1-CG 4.38Å; L340-L418 HydrophobicContact CG-CD2 4.49Å; V414-L418 HydrophobicContact CG1-CD1 3.93Å; V414-L418 HydrophobicContact CG1-CG 4.37Å; V414-L418 WeakPolarHBondContact O-CG 3.4Å; V414-L418 PolarHBondContact O-N 3.2Å; R415-L418 PolarHBondContact O-N 3.48Å; K416-L418 VanDerWaalsContact C-N 3.34Å; K416-L418 PolarHBondContact O-N 3.07Å; L418-L421 PolarHBondContact O-N 3.26Å; L418-G422 PolarHBondContact O-N 3.07Å; L418-L423 HydrophobicContact CD2-CB 4.2Å; L418-L423 PolarHBondContact O-N 2.9Å; L418-Y424 PolarHBondContact O-N 3.45Å
419D96.8Very high96.5Very high93 Ų9358.2 Ų58.250%0.49730%0.298SS..Hα-helixtrans-67.2-44.1175.9-163.739.1000111.5R415 K416 L421 G422R415-D419 WeakPolarHBondContact O-CB 3.42Å; R415-D419 PolarHBondContact O-N 3.05Å; K416-D419 PolarHBondContact O-N 3.21Å; D419-L421 PolarHBondContact O-N 3.26Å; D419-G422 PolarHBondContact O-N 2.9Å
420E96.7Very high96.3Very high131 Ų13156.2 Ų56.261%0.61229%0.285SS*.Hα-helixtrans-57.6-34.4172.9-73.6163-169.200112.7R401 K416 G422R401-E420 IonicContact CZ-OE2 2.94Å; R401-E420 IonicContact NH1-OE2 3Å; R401-E420 PolarHBondContact NH1-OE2 3.1Å; R401-E420 IonicContact NH2-OE1 3.88Å; R401-E420 IonicContact NH2-OE2 3.13Å; R401-E420 PolarHBondContact NH2-OE2 2.99Å; K416-E420 WeakPolarHBondContact O-CB 3.47Å; K416-E420 VanDerWaalsContact O-CG 3.27Å; K416-E420 WeakPolarHBondContact O-CG 3.5Å; K416-E420 PolarHBondContact O-N 2.93Å; E420-G422 VanDerWaalsContact C-N 3.32Å
421L95Very high96.2Very high92 Ų9260.5 Ų60.548%0.48231%0.313SS..THydrogen-bonded Turntrans-84.7-2.3176-68.8174.2000113.5P339 L340 A417 L418 D419 L423P339-L421 HydrophobicContact CB-CD1 4.21Å; L340-L421 HydrophobicContact CD2-CD1 3.62Å; A417-L421 WeakPolarHBondContact O-CG 3.36Å; A417-L421 PolarHBondContact O-N 2.95Å; L418-L421 PolarHBondContact O-N 3.26Å; D419-L421 PolarHBondContact O-N 3.26Å; L421-L423 HydrophobicContact CB-CD1 4.01Å; L421-L423 HydrophobicContact CB-CG 4.1Å; L421-L423 HydrophobicContact CD1-CD1 4.33Å; L421-L423 PolarHBondContact O-N 2.94Å
422G95.8Very high96.1Very high45 Ų4561.2 Ų61.246%0.46432%0.318SS..THydrogen-bonded Turntrans6623.9-175.500000113.9L418 D419 E420 R425L418-G422 PolarHBondContact O-N 3.07Å; D419-G422 PolarHBondContact O-N 2.9Å; E420-G422 VanDerWaalsContact C-N 3.32Å; G422-R425 PolarHBondContact O-NH1 3.39Å; G422-R425 PolarHBondContact O-NH2 3.21Å
423L96.3Very high96Very high20 Ų2061.3 Ų61.311%0.10532%0.318CS..  trans-104.8-7.2-178.2-65.3175000113.4F286 A287 P289 P339 L418 L421F286-L423 CarbonylContact C-O 3.54Å; F286-L423 VanDerWaalsContact CA-O 3.26Å; F286-L423 WeakPolarHBondContact CA-O 3.24Å; F286-L423 WeakPolarHBondContact CB-O 2.93Å; A287-L423 HydrophobicContact CB-CB 4.47Å; A287-L423 HydrophobicContact CB-CD2 4Å; A287-L423 PolarHBondContact N-O 3.07Å; P289-L423 HydrophobicContact CG-CD1 4.1Å; P289-L423 HydrophobicContact CG-CD2 4.15Å; P339-L423 HydrophobicContact CB-CD1 3.33Å; P339-L423 HydrophobicContact CG-CD1 4.08Å; L418-L423 HydrophobicContact CD2-CB 4.2Å; L418-L423 PolarHBondContact O-N 2.9Å; L421-L423 HydrophobicContact CB-CD1 4.01Å; L421-L423 HydrophobicContact CB-CG 4.1Å; L421-L423 HydrophobicContact CD1-CD1 4.33Å; L421-L423 PolarHBondContact O-N 2.94Å
424Y97.1Very high95.9Very high46 Ų4660.2 Ų60.218%0.1831%0.308CS..EExtended strand (participates in β ladder)trans-71.4134.7171.6-178.3-105000110.6T284 R415 L418 G426 E427T284-Y424 HydrophobicContact CG2-CD2 3.92Å; T284-Y424 HydrophobicContact CG2-CE2 3.46Å; T284-Y424 VanDerWaalsContact CG2-CE2 3.46Å; R415-Y424 HydrophobicContact CG-CD2 4.04Å; R415-Y424 HydrophobicContact CG-CE2 3.7Å; L418-Y424 PolarHBondContact O-N 3.45Å; Y424-G426 VanDerWaalsContact CE1-CA 3.43Å; Y424-E427 WeakPolarHBondContact OH-CB 3.46Å; Y424-E427 VanDerWaalsContact OH-CD 3.31Å; Y424-E427 WeakPolarHBondContact OH-CG 3.31Å; Y424-E427 PolarHBondContact OH-N 2.68Å; Y424-E427 PolarHBondContact OH-OE2 3.26Å
425R96.2Very high95.9Very high96 Ų9662.3 Ų62.336%0.36232%0.322SS..EExtended strand (participates in β ladder)trans-122.725.6-177.3-60.6-73.9173.7-871.3112S285 A287 E302 V304 G422S285-R425 CarbonylContact O-C 3.58Å; S285-R425 WeakPolarHBondContact O-CA 3.4Å; S285-R425 PolarHBondContact O-N 3.39Å; A287-R425 HydrophobicContact CB-CG 4.38Å; E302-R425 VanDerWaalsContact CD-NH2 3.3Å; E302-R425 IonicContact OE1-CZ 3.78Å; E302-R425 IonicContact OE1-NE 3.26Å; E302-R425 PolarHBondContact OE1-NE 3.08Å; E302-R425 IonicContact OE1-NH2 3.48Å; E302-R425 PolarHBondContact OE1-NH2 3.05Å; E302-R425 VanDerWaalsContact OE1-NH2 3.08Å; E302-R425 IonicContact OE2-CZ 3.99Å; E302-R425 IonicContact OE2-NE 2.58Å; E302-R425 IonicContact OE2-NH2 3.22Å; E302-R425 PolarHBondContact OE2-NH2 3.02Å; V304-R425 HydrophobicContact CG1-CB 4.13Å; V304-R425 HydrophobicContact CG1-CG 3.95Å; V304-R425 HydrophobicContact CG2-CG 4.28Å; G422-R425 PolarHBondContact O-NH1 3.39Å; G422-R425 PolarHBondContact O-NH2 3.21Å
426G95.5Very high95.8Very high27 Ų2759.8 Ų59.828%0.27831%0.314SS..EExtended strand (participates in β ladder)trans90.6175176.800000114.5S285 Y424S285-G426 PolarHBondContact N-O 3.3Å; Y424-G426 VanDerWaalsContact CE1-CA 3.43Å
427E95.5Very high95.6Very high67 Ų6754.4 Ų54.431%0.31329%0.29SS..EExtended strand (participates in β ladder)trans-139.8151.2176.867.3-171.8-144.200110.1R266 V282 I283 Y424R266-E427 IonicContact CZ-OE1 3.39Å; R266-E427 VanDerWaalsContact CZ-OE1 3.26Å; R266-E427 IonicContact NH1-OE1 2.7Å; R266-E427 PolarHBondContact NH1-OE1 3.49Å; R266-E427 IonicContact NH2-OE1 3.08Å; R266-E427 PolarHBondContact NH2-OE1 3.44Å; V282-E427 HydrophobicContact CG1-CB 3.75Å; V282-E427 HydrophobicContact CG1-CG 4.11Å; I283-E427 VanDerWaalsContact O-CA 3.28Å; I283-E427 WeakPolarHBondContact O-CA 3.47Å; Y424-E427 WeakPolarHBondContact OH-CB 3.46Å; Y424-E427 VanDerWaalsContact OH-CD 3.31Å; Y424-E427 WeakPolarHBondContact OH-CG 3.31Å; Y424-E427 PolarHBondContact OH-N 2.68Å; Y424-E427 PolarHBondContact OH-OE2 3.26Å
428K95.4Very high95Very high122 Ų12255.6 Ų55.653%0.5330%0.299SS..EExtended strand (participates in β ladder)trans-138.8159175.364-175.1179.9-177.70110.4I283I283-K428 HydrophobicContact CG2-CD 4.21Å; I283-K428 HydrophobicContact CG2-CG 3.41Å; I283-K428 VanDerWaalsContact CG2-CG 3.41Å; I283-K428 PolarHBondContact N-O 3.04Å; I283-K428 PolarHBondContact O-N 3.05Å
429D96.6Very high94.5Very high92 Ų9260.4 Ų60.449%0.49232%0.317SS..EExtended strand (participates in β ladder)trans-65.5138.3173.5-76.925.2000110R266R266-D429 VanDerWaalsContact CB-OD1 3.28Å; R266-D429 WeakPolarHBondContact CB-OD1 3.21Å; R266-D429 WeakPolarHBondContact CB-OD2 3.2Å; R266-D429 PolarHBondContact N-OD2 3.07Å; R266-D429 VanDerWaalsContact N-OD2 3.11Å; R266-D429 IonicContact NE-OD1 2.76Å; R266-D429 PolarHBondContact NE-OD1 2.66Å; R266-D429 IonicContact NH2-OD1 3.82Å
430N93.6Very high94Very high22 Ų2256.9 Ų56.912%0.11830%0.299CS..  trans-141.9119.5-174.9-179.174.7000110.7G281 I283 M432G281-N430 CarbonylContact C-O 3.59Å; G281-N430 VanDerWaalsContact CA-O 3.25Å; G281-N430 WeakPolarHBondContact CA-O 3.47Å; G281-N430 PolarHBondContact O-N 3.36Å; I283-N430 HydrophobicContact CB-CB 3.71Å; I283-N430 HydrophobicContact CG2-CB 3.7Å; N430-M432 PolarHBondContact O-N 3.19Å
431P94.4Very high93.6Very high91 Ų9156 Ų5659%0.59129%0.294SS*.  trans-57.3135.2171.1-21.230.7000111.4L263 S264L263-P431 CarbonylContact O-C 3.58Å; L263-P431 WeakPolarHBondContact O-CA 3.37Å; S264-P431 WeakPolarHBondContact O-CG 3.46Å
432M94.3Very high93.6Very high43 Ų4351.7 Ų51.721%0.21227%0.271CS..EExtended strand (participates in β ladder)trans-156.6167-18070.3178.7-6300112.7L263 G281 T308 N430 V434L263-M432 HydrophobicContact CB-CG 4.36Å; L263-M432 HydrophobicContact CD1-CG 4.25Å; L263-M432 PolarHBondContact N-O 2.79Å; L263-M432 PolarHBondContact O-N 3.42Å; G281-M432 VanDerWaalsContact CA-SD 3.57Å; G281-M432 PolarHBondContact N-SD 2.95Å; T308-M432 HydrophobicContact CG2-SD 4.48Å; N430-M432 PolarHBondContact O-N 3.19Å; M432-V434 HydrophobicContact CE-CG2 3.96Å; M432-V434 HydrophobicContact CG-CG2 4.16Å; M432-V434 HydrophobicContact SD-CG2 4.11Å
433I94.9Very high93.6Very high92 Ų9250 Ų5047%0.47225%0.251SS..EExtended strand (participates in β ladder)trans-106.1122.1170.4-62169.9000108.3K260 Q261 E262K260-I433 HydrophobicContact CB-CG2 3.72Å; K260-I433 HydrophobicContact CD-CG2 4.5Å; K260-I433 HydrophobicContact CG-CG2 4.15Å; Q261-I433 CarbonylContact O-C 3.49Å; Q261-I433 WeakPolarHBondContact O-CA 3.44Å; E262-I433 HydrophobicContact CG-CG1 3.99Å
434V95.1Very high93.7Very high2 Ų249.2 Ų49.21%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-99.1120.4175.1179.20000109Q261 L263 L269 F280 M432 I436 I443Q261-V434 PolarHBondContact N-O 2.92Å; Q261-V434 PolarHBondContact O-N 3.28Å; L263-V434 HydrophobicContact CD1-CB 4.49Å; L263-V434 HydrophobicContact CD1-CG2 3.44Å; L263-V434 VanDerWaalsContact CD1-CG2 3.44Å; L263-V434 HydrophobicContact CG-CG2 4.09Å; L269-V434 HydrophobicContact CD1-CG1 4.26Å; F280-V434 HydrophobicContact CB-CG2 4.06Å; F280-V434 HydrophobicContact CD1-CG1 4.48Å; F280-V434 HydrophobicContact CD1-CG2 4.22Å; F280-V434 HydrophobicContact CG-CG2 4.3Å; M432-V434 HydrophobicContact CE-CG2 3.96Å; M432-V434 HydrophobicContact CG-CG2 4.16Å; M432-V434 HydrophobicContact SD-CG2 4.11Å; V434-I436 HydrophobicContact CG1-CG1 4.05Å; V434-I443 HydrophobicContact CG1-CD1 3.63Å; V434-I443 HydrophobicContact CG1-CG2 4.21Å
435P96.2Very high93.6Very high44 Ų4447.1 Ų47.129%0.28624%0.239SC..EExtended strand (participates in β ladder)trans-79.7122175.833.1-34.1000110V258 V444V258-P435 HydrophobicContact CG1-CB 3.37Å; P435-V444 HydrophobicContact CB-CB 3.98Å; P435-V444 HydrophobicContact CB-CG2 4.36Å; P435-V444 HydrophobicContact CG-CB 4.17Å; P435-V444 PolarHBondContact O-N 3.47Å
436I95.4Very high93.6Very high17 Ų1743.4 Ų43.49%0.08723%0.227CC..EExtended strand (participates in β ladder)trans-119.3130.9-176.7-60.1178.3000109.5V258 D259 Q261 V434 S438 K441 D442 I443V258-I436 CarbonylContact C-O 3.57Å; V258-I436 WeakPolarHBondContact CA-O 3.48Å; D259-I436 HydrophobicContact CB-CB 4.29Å; D259-I436 PolarHBondContact N-O 3.38Å; D259-I436 PolarHBondContact O-N 3.19Å; Q261-I436 HydrophobicContact CB-CD1 3.88Å; V434-I436 HydrophobicContact CG1-CG1 4.05Å; I436-S438 PolarHBondContact O-N 3.46Å; I436-K441 HydrophobicContact CG2-CD 4.46Å; I436-D442 CarbonylContact C-O 3.53Å; I436-D442 WeakPolarHBondContact CA-O 3.48Å; I436-I443 HydrophobicContact CG1-CD1 3.98Å
437C92.5Very high93.5Very high0 Ų042.3 Ų42.30%022%0.215CC..EExtended strand (participates in β ladder)trans-66.8119.1174.4179.30000109.7I253 E257 R439 S440 K441 D442 V444I253-C437 HydrophobicContact CD1-CB 3.83Å; E257-C437 CarbonylContact O-C 3.08Å; E257-C437 WeakPolarHBondContact O-CA 3.28Å; C437-R439 PolarHBondContact O-N 3.39Å; C437-R439 VanDerWaalsContact O-N 3.11Å; C437-S440 VanDerWaalsContact CB-OG 3.25Å; C437-S440 WeakPolarHBondContact CB-OG 3.49Å; C437-S440 PolarHBondContact SG-OG 3.49Å; C437-K441 WeakPolarHBondContact O-CA 3.32Å; C437-K441 PolarHBondContact O-N 3.24Å; C437-D442 PolarHBondContact N-O 3.41Å; C437-V444 HydrophobicContact CB-CG2 4.08Å
438S85.9Confident93.3Very high26 Ų2639.9 Ų39.918%0.18220%0.204CC..THydrogen-bonded Turntrans-63.9-20.4-179.272.80000113.1E257 D259 I436 K441E257-S438 WeakPolarHBondContact CA-OG 3.33Å; E257-S438 PolarHBondContact O-N 3.38Å; E257-S438 PolarHBondContact O-OG 3.03Å; D259-S438 WeakPolarHBondContact OD2-CA 3.42Å; D259-S438 WeakPolarHBondContact OD2-CB 3.42Å; I436-S438 PolarHBondContact O-N 3.46Å; S438-K441 VanDerWaalsContact O-CE 3.24Å; S438-K441 WeakPolarHBondContact O-CE 3.32Å; S438-K441 PolarHBondContact O-NZ 3.3Å
439R84.7Confident93.2Very high100 Ų10035.6 Ų35.638%0.37719%0.186SC..THydrogen-bonded Turntrans-88.4-53.9-179.7-52.8-57.6-176.3-161.2-0.1113.3L249 E257 C437L249-R439 HydrophobicContact CD1-CB 3.96Å; E257-R439 IonicContact OE1-CZ 2.82Å; E257-R439 IonicContact OE1-NE 3.19Å; E257-R439 PolarHBondContact OE1-NE 3.24Å; E257-R439 VanDerWaalsContact OE1-NE 3.11Å; E257-R439 IonicContact OE1-NH2 3.75Å; E257-R439 PolarHBondContact OE1-NH2 3.35Å; C437-R439 PolarHBondContact O-N 3.39Å; C437-R439 VanDerWaalsContact O-N 3.11Å
440S87.3Confident93Very high19 Ų1932.6 Ų32.613%0.13317%0.171CC..THydrogen-bonded Turntrans-92.9-17.6-176.558.70000113.7S246 P272 C437 D442S246-S440 PolarHBondContact OG-OG 3.13Å; P272-S440 VanDerWaalsContact CG-O 3.3Å; P272-S440 WeakPolarHBondContact CG-O 3.29Å; C437-S440 VanDerWaalsContact CB-OG 3.25Å; C437-S440 WeakPolarHBondContact CB-OG 3.49Å; C437-S440 PolarHBondContact SG-OG 3.49Å; S440-D442 PolarHBondContact O-N 3.31Å; S440-D442 WeakPolarHBondContact OG-CB 3.34Å; S440-D442 PolarHBondContact OG-N 3.05Å
441K88.6Confident93.1Very high113 Ų11331.5 Ų31.549%0.49117%0.166SC..  trans61.516.2-169.9-53.5-61.7174.8-176.60113.9D259 I436 C437 S438D259-K441 IonicContact OD2-NZ 2.75Å; D259-K441 PolarHBondContact OD2-NZ 3.26Å; I436-K441 HydrophobicContact CG2-CD 4.46Å; C437-K441 WeakPolarHBondContact O-CA 3.32Å; C437-K441 PolarHBondContact O-N 3.24Å; S438-K441 VanDerWaalsContact O-CE 3.24Å; S438-K441 WeakPolarHBondContact O-CE 3.32Å; S438-K441 PolarHBondContact O-NZ 3.3Å
442D94.3Very high93.2Very high1 Ų127.2 Ų27.21%0.00514%0.137CC..PPolyproline II helixtrans-78.8157.4171.5-162.30.5000111.2T248 V271 P272 R407 I436 C437 S440T248-D442 WeakPolarHBondContact CB-OD2 3.21Å; T248-D442 PolarHBondContact N-OD2 2.79Å; T248-D442 WeakPolarHBondContact OG1-CB 3.43Å; T248-D442 VanDerWaalsContact OG1-CG 3.25Å; T248-D442 PolarHBondContact OG1-OD2 3.46Å; V271-D442 WeakPolarHBondContact CG1-OD1 3.47Å; P272-D442 HydrophobicContact CG-CB 4.02Å; R407-D442 IonicContact CZ-OD1 3.06Å; R407-D442 IonicContact NH2-OD1 3.91Å; R407-D442 PolarHBondContact NH2-OD1 3.33Å; R407-D442 IonicContact NH2-OD2 2.61Å; I436-D442 CarbonylContact C-O 3.53Å; I436-D442 WeakPolarHBondContact CA-O 3.48Å; C437-D442 PolarHBondContact N-O 3.41Å; S440-D442 PolarHBondContact O-N 3.31Å; S440-D442 WeakPolarHBondContact OG-CB 3.34Å; S440-D442 PolarHBondContact OG-N 3.05Å
443I96.9Very high93.4Very high10 Ų1025.7 Ų25.75%0.05113%0.129CC..BIsolated β-bridgetrans-73.2130.1171.8-52.8-49.4000108.4V271 F280 R407 F408 V434 I436V271-I443 HydrophobicContact CG2-CG1 4.01Å; F280-I443 HydrophobicContact CE1-CG1 4.11Å; F280-I443 HydrophobicContact CE1-CG2 4.4Å; F280-I443 HydrophobicContact CE2-CD1 4.43Å; F280-I443 HydrophobicContact CE2-CG1 4.28Å; F280-I443 HydrophobicContact CZ-CD1 4.15Å; F280-I443 HydrophobicContact CZ-CG1 3.62Å; R407-I443 PolarHBondContact NH2-O 2.91Å; R407-I443 VanDerWaalsContact NH2-O 3.09Å; F408-I443 HydrophobicContact CE2-CB 4.44Å; F408-I443 HydrophobicContact CE2-CG1 4.2Å; F408-I443 HydrophobicContact CZ-CB 4.01Å; F408-I443 HydrophobicContact CZ-CG1 4.02Å; F408-I443 HydrophobicContact CZ-CG2 4.32Å; V434-I443 HydrophobicContact CG1-CD1 3.63Å; V434-I443 HydrophobicContact CG1-CG2 4.21Å; I436-I443 HydrophobicContact CG1-CD1 3.98Å
444V96.5Very high93.5Very high4 Ų421.4 Ų21.42%0.02411%0.107CC..EExtended strand (participates in β ladder)trans-76.3131.8-179.6-178.80000109.5N244 W245 I253 V258 P435 C437N244-V444 HydrophobicContact CB-CG1 3.58Å; W245-V444 WeakPolarHBondContact O-CA 3.24Å; I253-V444 HydrophobicContact CD1-CG1 4.35Å; I253-V444 HydrophobicContact CD1-CG2 3.74Å; V258-V444 HydrophobicContact CG1-CG2 4.12Å; V258-V444 HydrophobicContact CG2-CG1 4.38Å; V258-V444 HydrophobicContact CG2-CG2 4.15Å; P435-V444 HydrophobicContact CB-CB 3.98Å; P435-V444 HydrophobicContact CB-CG2 4.36Å; P435-V444 HydrophobicContact CG-CB 4.17Å; P435-V444 PolarHBondContact O-N 3.47Å; C437-V444 HydrophobicContact CB-CG2 4.08Å
445E96.1Very high93.6Very high1 Ų126.8 Ų26.81%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-103.5126.5177.8-67.1-59.7151.400109.6W245 R309 R407 M447W245-E445 WeakPolarHBondContact CA-O 3.22Å; W245-E445 HydrophobicContact CB-CB 4.4Å; W245-E445 WeakPolarHBondContact CB-O 3.3Å; W245-E445 PolarHBondContact N-O 3.42Å; W245-E445 PolarHBondContact O-N 3.12Å; R309-E445 IonicContact CZ-OE2 3.26Å; R309-E445 IonicContact NH1-OE2 2.9Å; R309-E445 IonicContact NH2-OE1 2.74Å; R309-E445 IonicContact NH2-OE2 3.26Å; R309-E445 PolarHBondContact NH2-OE2 3.35Å; R407-E445 VanDerWaalsContact CD-OE1 3.32Å; R407-E445 WeakPolarHBondContact CD-OE1 3.27Å; R407-E445 IonicContact CZ-OE1 2.76Å; R407-E445 IonicContact NE-OE1 2.68Å; R407-E445 PolarHBondContact NE-OE1 3.43Å; R407-E445 IonicContact NH2-OE1 3.8Å; E445-M447 PolarHBondContact O-N 3.39Å
446P95.4Very high93.6Very high18 Ų1824.9 Ų24.912%0.11712%0.115CC..EExtended strand (participates in β ladder)trans-64.2117.7162.2-16.831.4000107.9L242 H369L242-P446 HydrophobicContact CD2-CB 4.25Å; H369-P446 WeakPolarHBondContact O-CG 3.32Å
447M93.9Very high93.7Very high5 Ų526.6 Ų26.63%0.02512%0.123CC..EExtended strand (participates in β ladder)trans-131.2132.6-176.8-169.1167.9-7300111.4L242 V243 W245 G389 E390 E445 K449L242-M447 WeakPolarHBondContact CA-O 3.49Å; V243-M447 WeakPolarHBondContact CG2-O 3.49Å; V243-M447 PolarHBondContact N-O 2.93Å; V243-M447 PolarHBondContact O-N 3.44Å; W245-M447 HydrophobicContact CB-CB 3.59Å; W245-M447 HydrophobicContact CB-SD 4.35Å; W245-M447 HydrophobicContact CD2-CB 4.48Å; W245-M447 HydrophobicContact CD2-SD 3.74Å; W245-M447 HydrophobicContact CE3-SD 4.38Å; W245-M447 HydrophobicContact CG-CB 3.98Å; W245-M447 HydrophobicContact CG-CE 4.03Å; W245-M447 HydrophobicContact CG-CG 4.45Å; W245-M447 HydrophobicContact CG-SD 3.69Å; G389-M447 WeakPolarHBondContact O-CE 3.5Å; E390-M447 HydrophobicContact CG-SD 4.05Å; E445-M447 PolarHBondContact O-N 3.39Å; M447-K449 HydrophobicContact CG-CG 4.16Å; M447-K449 PolarHBondContact O-N 3.08Å
448L92Very high93.9Very high16 Ų1632.5 Ų32.58%0.08416%0.155CC..EExtended strand (participates in β ladder)trans-75.4110.8178.4-162.478.4000109.7L240 L242 W374 T384L240-L448 HydrophobicContact CD1-CD1 4.49Å; L240-L448 HydrophobicContact CD1-CD2 3.98Å; L240-L448 HydrophobicContact CD1-CG 3.67Å; L240-L448 HydrophobicContact CD2-CD2 3.67Å; L240-L448 HydrophobicContact CD2-CG 4.18Å; L240-L448 HydrophobicContact CG-CD1 4.1Å; L240-L448 HydrophobicContact CG-CD2 3.77Å; L240-L448 HydrophobicContact CG-CG 3.68Å; L242-L448 HydrophobicContact CD2-CB 4.22Å; L242-L448 HydrophobicContact CD2-CD1 4.35Å; L242-L448 HydrophobicContact CG-CD1 4.32Å; W374-L448 HydrophobicContact CD2-CD1 4.32Å; W374-L448 HydrophobicContact CE3-CD1 4.18Å; W374-L448 HydrophobicContact CH2-CD1 3.7Å; W374-L448 HydrophobicContact CH2-CD2 4.31Å; W374-L448 HydrophobicContact CZ2-CD1 3.82Å; W374-L448 HydrophobicContact CZ3-CD1 3.89Å; W374-L448 HydrophobicContact CZ3-CD2 4.28Å; T384-L448 HydrophobicContact CG2-CD2 3.84Å
449K92Very high94.5Very high31 Ų3132 Ų3214%0.13515%0.15CC..EExtended strand (participates in β ladder)trans-136138.4-179-74.5-69.3-122.8166.30111.3R241 V243 W245 E390 M447 Q451R241-K449 PolarHBondContact N-O 3.03Å; R241-K449 PolarHBondContact O-N 3.04Å; V243-K449 HydrophobicContact CG2-CB 4.07Å; V243-K449 HydrophobicContact CG2-CG 4.28Å; W245-K449 HydrophobicContact CE3-CG 4.07Å; W245-K449 HydrophobicContact CZ3-CD 4.27Å; W245-K449 HydrophobicContact CZ3-CG 3.96Å; E390-K449 IonicContact OE1-NZ 3.38Å; E390-K449 PolarHBondContact OE1-NZ 2.72Å; E390-K449 IonicContact OE2-NZ 3.62Å; E390-K449 PolarHBondContact OE2-NZ 2.61Å; M447-K449 HydrophobicContact CG-CG 4.16Å; M447-K449 PolarHBondContact O-N 3.08Å; K449-Q451 HydrophobicContact CB-CG 4.13Å; K449-Q451 PolarHBondContact O-N 2.81Å
450P93.3Very high95.1Very high29 Ų2927.3 Ų27.319%0.18813%0.132CC..EExtended strand (participates in β ladder)trans-69.3122.9166.330.3-33000108.3S239 L240 T526S239-P450 WeakPolarHBondContact O-CA 3.37Å; L240-P450 HydrophobicContact CD1-CB 4.45Å; P450-T526 HydrophobicContact CB-CG2 4.18Å; P450-T526 HydrophobicContact CG-CG2 4.18Å
451Q95.3Very high95.7Very high0 Ų029.8 Ų29.80%014%0.144CC..EExtended strand (participates in β ladder)trans-136.3162.3-179.3-61.6-75.1-3.400110.2R238 S239 V243 K449 Y453 S496R238-Q451 WeakPolarHBondContact CA-O 3.35Å; S239-Q451 PolarHBondContact N-O 2.8Å; S239-Q451 PolarHBondContact O-N 3.19Å; V243-Q451 HydrophobicContact CG1-CG 3.9Å; K449-Q451 HydrophobicContact CB-CG 4.13Å; K449-Q451 PolarHBondContact O-N 2.81Å; Q451-Y453 HydrophobicContact CB-CD2 4.45Å; Q451-Y453 HydrophobicContact CB-CE2 3.66Å; Q451-Y453 VanDerWaalsContact O-CD2 3.3Å; Q451-Y453 WeakPolarHBondContact O-CD2 3.43Å; Q451-Y453 WeakPolarHBondContact O-CE2 3.21Å; Q451-S496 WeakPolarHBondContact CA-OG 3.48Å; Q451-S496 WeakPolarHBondContact CB-OG 3.47Å; Q451-S496 PolarHBondContact OE1-O 3.02Å; Q451-S496 PolarHBondContact OE1-OG 3.39Å
452W97.1Very high96.1Very high0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-87.7133.4170.7-66.394.7000110.4F227 Y231 I236 Y237 R238 C494 I495 S496 I505 A507 W531 D560F227-W452 HydrophobicContact CZ-CD2 4.15Å; F227-W452 HydrophobicContact CZ-CE3 4.03Å; F227-W452 HydrophobicContact CZ-CZ3 4.33Å; Y231-W452 HydrophobicContact CD2-CZ3 4.03Å; Y231-W452 HydrophobicContact CE2-CH2 4.2Å; Y231-W452 AromaticContact CE2-CZ3 3.86Å; Y231-W452 HydrophobicContact CE2-CZ3 3.86Å; I236-W452 HydrophobicContact CG2-CE3 3.67Å; I236-W452 HydrophobicContact CG2-CZ3 4.17Å; Y237-W452 WeakPolarHBondContact O-CA 3.47Å; R238-W452 HydrophobicContact CB-CD2 4.33Å; R238-W452 HydrophobicContact CB-CE3 4.08Å; R238-W452 HydrophobicContact CB-CH2 4.32Å; R238-W452 HydrophobicContact CB-CZ3 4.09Å; R238-W452 HydrophobicContact CG-CD2 4.48Å; W452-C494 CarbonylContact O-C 3.6Å; W452-C494 WeakPolarHBondContact O-CA 3.31Å; W452-I495 HydrophobicContact CB-CD1 4.24Å; W452-I495 HydrophobicContact CB-CG1 3.79Å; W452-I495 WeakPolarHBondContact O-CG1 3.34Å; W452-I495 PolarHBondContact O-N 3.3Å; W452-S496 PolarHBondContact N-OG 2.93Å; W452-I505 HydrophobicContact CG-CD1 4.07Å; W452-A507 HydrophobicContact CH2-CB 3.79Å; W452-A507 HydrophobicContact CZ2-CB 3.34Å; W452-W531 HydrophobicContact CH2-CB 4.02Å; W452-W531 HydrophobicContact CH2-CG 4.22Å; W452-W531 HydrophobicContact CZ2-CB 4.31Å; W452-W531 HydrophobicContact CZ2-CD2 4.01Å; W452-W531 HydrophobicContact CZ2-CE3 4.05Å; W452-W531 HydrophobicContact CZ2-CG 4.12Å; W452-D560 PolarHBondContact NE1-OD2 2.94Å
453Y97.1Very high96.3Very high11 Ų1126.1 Ų26.14%0.04314%0.135CC..EExtended strand (participates in β ladder)trans-123.4142.6-179.8-65.6-91.1000110.5I236 Y237 S239 R241 V243 Q451 D492 W493 C494I236-Y453 VanDerWaalsContact CA-O 3.32Å; I236-Y453 WeakPolarHBondContact CA-O 3.34Å; Y237-Y453 PolarHBondContact N-O 3.1Å; Y237-Y453 PolarHBondContact O-N 2.96Å; S239-Y453 WeakPolarHBondContact O-CE2 3.21Å; R241-Y453 WeakPolarHBondContact CB-OH 3.4Å; R241-Y453 HydrophobicContact CG-CE2 4.38Å; V243-Y453 WeakPolarHBondContact CG1-OH 3.42Å; Q451-Y453 HydrophobicContact CB-CD2 4.45Å; Q451-Y453 HydrophobicContact CB-CE2 3.66Å; Q451-Y453 VanDerWaalsContact O-CD2 3.3Å; Q451-Y453 WeakPolarHBondContact O-CD2 3.43Å; Q451-Y453 WeakPolarHBondContact O-CE2 3.21Å; Y453-D492 HydrophobicContact CD1-CB 4.46Å; Y453-W493 CarbonylContact C-O 3.54Å; Y453-W493 VanDerWaalsContact CA-O 3.27Å; Y453-W493 WeakPolarHBondContact CA-O 3.39Å; Y453-C494 HydrophobicContact CD1-CB 4.09Å; Y453-C494 HydrophobicContact CE1-CB 3.7Å
454L97.5Very high96.3Very high2 Ų227.3 Ų27.31%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-105.5125.2168.6178.161.4000109.2L230 L235 I236 C456 M459 D492 W493 I495L230-L454 HydrophobicContact CB-CD1 4.42Å; L230-L454 HydrophobicContact CD1-CD1 4.05Å; L230-L454 HydrophobicContact CD1-CD2 4.43Å; L230-L454 HydrophobicContact CD2-CD1 4.47Å; L235-L454 HydrophobicContact CB-CD1 3.89Å; L235-L454 CarbonylContact O-C 3.54Å; L235-L454 WeakPolarHBondContact O-CA 3.31Å; I236-L454 HydrophobicContact CG1-CB 4.49Å; I236-L454 HydrophobicContact CG1-CD1 3.71Å; L454-C456 PolarHBondContact O-N 2.86Å; L454-C456 PolarHBondContact O-SG 2.77Å; L454-M459 HydrophobicContact CD1-CE 4.22Å; L454-M459 HydrophobicContact CD2-CE 4.12Å; L454-M459 HydrophobicContact CG-CE 4.1Å; L454-D492 CarbonylContact O-C 3.35Å; L454-D492 WeakPolarHBondContact O-CA 3.26Å; L454-W493 HydrophobicContact CD2-CE3 3.96Å; L454-W493 HydrophobicContact CD2-CZ3 4.19Å; L454-W493 PolarHBondContact N-O 3.09Å; L454-W493 PolarHBondContact O-N 3.22Å; L454-I495 HydrophobicContact CB-CD1 4.47Å; L454-I495 HydrophobicContact CB-CG2 3.93Å
455R97.6Very high96.4Very high115 Ų11532.3 Ų32.343%0.43416%0.162SC..  trans-67.2122.2171.6-64.7-175.7-170.7-76.92.3109.9L235 Y237 M459 D492L235-R455 HydrophobicContact CD2-CB 4Å; L235-R455 PolarHBondContact O-N 3.3Å; Y237-R455 HydrophobicContact CD1-CG 4.04Å; Y237-R455 HydrophobicContact CE1-CG 3.6Å; R455-M459 WeakPolarHBondContact O-CE 3.42Å; R455-D492 WeakPolarHBondContact CA-OD1 3.43Å; R455-D492 IonicContact NH1-OD2 3.03Å
456C96.7Very high96.5Very high4 Ų433.3 Ų33.33%0.02717%0.167CC..  trans-111.7-26.1-172.1-680000114.6L454 D458 M459 A460 C490L454-C456 PolarHBondContact O-N 2.86Å; L454-C456 PolarHBondContact O-SG 2.77Å; C456-D458 PolarHBondContact O-N 3.18Å; C456-M459 PolarHBondContact O-N 3.27Å; C456-M459 VanDerWaalsContact O-N 3.14Å; C456-A460 WeakPolarHBondContact O-CB 3.4Å; C456-A460 PolarHBondContact O-N 2.87Å; C456-C490 VanDerWaalsContact CB-SG 3.55Å
457Q97.3Very high96.6Very high53 Ų5333.1 Ų33.125%0.24817%0.165CC..Hα-helixtrans-57.4-44.1-166.7-170.459.660.100114.1A460 N461 L487 C490Q457-A460 WeakPolarHBondContact O-CB 3.49Å; Q457-A460 PolarHBondContact O-N 2.97Å; Q457-N461 PolarHBondContact NE2-OD1 2.73Å; Q457-N461 PolarHBondContact O-N 2.97Å; Q457-N461 PolarHBondContact O-ND2 3.01Å; Q457-L487 PolarHBondContact NE2-O 3.26Å; Q457-C490 PolarHBondContact OE1-O 3.1Å
458D97.4Very high96.8Very high125 Ų12537.5 Ų37.567%0.66820%0.196SC*.Hα-helixtrans-67.9-39.3-179.6-66.6-26000112.3C456 A460 N461 A462C456-D458 PolarHBondContact O-N 3.18Å; D458-A460 VanDerWaalsContact C-N 3.35Å; D458-N461 PolarHBondContact O-N 3.09Å; D458-A462 PolarHBondContact O-N 3.16Å
459M98.1Very high97Very high16 Ų1641.1 Ų41.18%0.07921%0.213CC..Hα-helixtrans-67.4-38174.4-64.8-173.2-71.100111.3L454 R455 C456 N461 A462 A463 M612 K616L454-M459 HydrophobicContact CD1-CE 4.22Å; L454-M459 HydrophobicContact CD2-CE 4.12Å; L454-M459 HydrophobicContact CG-CE 4.1Å; R455-M459 WeakPolarHBondContact O-CE 3.42Å; C456-M459 PolarHBondContact O-N 3.27Å; C456-M459 VanDerWaalsContact O-N 3.14Å; M459-N461 VanDerWaalsContact C-N 3.34Å; M459-A462 PolarHBondContact O-N 2.99Å; M459-A463 WeakPolarHBondContact O-CB 3.49Å; M459-A463 PolarHBondContact O-N 3.43Å; M459-M612 HydrophobicContact CB-CB 3.75Å; M459-M612 HydrophobicContact CB-CG 3.73Å; M459-M612 HydrophobicContact CB-SD 4.02Å; M459-M612 HydrophobicContact SD-CB 4.36Å; M459-K616 HydrophobicContact CG-CB 4.3Å; M459-K616 HydrophobicContact SD-CB 3.69Å; M459-K616 HydrophobicContact SD-CG 3.89Å
460A97.6Very high97.3Very high0 Ų042.3 Ų42.30%023%0.234CC..Hα-helixtrans-62.8-41.2175.500000111.4C456 Q457 D458 A463 M464 L487 C490 M612C456-A460 WeakPolarHBondContact O-CB 3.4Å; C456-A460 PolarHBondContact O-N 2.87Å; Q457-A460 WeakPolarHBondContact O-CB 3.49Å; Q457-A460 PolarHBondContact O-N 2.97Å; D458-A460 VanDerWaalsContact C-N 3.35Å; A460-A463 PolarHBondContact O-N 2.92Å; A460-M464 WeakPolarHBondContact O-CG 3.27Å; A460-M464 PolarHBondContact O-N 3.32Å; A460-L487 HydrophobicContact CB-CB 4.1Å; A460-L487 HydrophobicContact CB-CD2 3.83Å; A460-L487 HydrophobicContact CB-CG 4.46Å; A460-C490 HydrophobicContact CB-CB 3.64Å; A460-M612 HydrophobicContact CB-SD 4.04Å
461N98.2Very high97.5Very high71 Ų7146.1 Ų46.138%0.3824%0.244SC..Hα-helixtrans-61.6-45.1173.9-68.6-22.8000111.7Q457 D458 M459 M464 K465Q457-N461 PolarHBondContact NE2-OD1 2.73Å; Q457-N461 PolarHBondContact O-N 2.97Å; Q457-N461 PolarHBondContact O-ND2 3.01Å; D458-N461 PolarHBondContact O-N 3.09Å; M459-N461 VanDerWaalsContact C-N 3.34Å; N461-M464 PolarHBondContact O-N 2.72Å; N461-M464 VanDerWaalsContact OD1-CE 3.31Å; N461-M464 WeakPolarHBondContact OD1-CE 3.48Å; N461-K465 PolarHBondContact O-N 3.24Å
462A98.1Very high97.6Very high38 Ų3846.2 Ų46.231%0.31425%0.245SC..Hα-helixtrans-60.9-44.9174.700000111.6D458 M459 M464 K465 E466 L615D458-A462 PolarHBondContact O-N 3.16Å; M459-A462 PolarHBondContact O-N 2.99Å; A462-M464 PolarHBondContact O-N 2.8Å; A462-K465 WeakPolarHBondContact O-CB 3.27Å; A462-K465 PolarHBondContact O-N 3.44Å; A462-K465 VanDerWaalsContact O-N 3.13Å; A462-E466 WeakPolarHBondContact O-CG 3.29Å; A462-E466 PolarHBondContact O-N 2.84Å; A462-E466 VanDerWaalsContact O-N 3.1Å; A462-L615 HydrophobicContact CB-CD1 4.11Å
463A98Very high97.7Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-62.6-39.1177.800000113M459 A460 W483 L487 V611 M612M459-A463 WeakPolarHBondContact O-CB 3.49Å; M459-A463 PolarHBondContact O-N 3.43Å; A460-A463 PolarHBondContact O-N 2.92Å; A463-W483 HydrophobicContact CB-CZ2 3.93Å; A463-L487 HydrophobicContact CB-CD1 4.1Å; A463-V611 HydrophobicContact CB-CB 4.41Å; A463-V611 HydrophobicContact CB-CG1 3.6Å; A463-M612 HydrophobicContact CB-CG 4.11Å
464M97.9Very high97.7Very high34 Ų3453.7 Ų53.717%0.16727%0.273CS..Hα-helixtrans-63.9-41.1172.1-74.4-172.1-68.100112A460 N461 A462 E466 V467 S468 L487A460-M464 WeakPolarHBondContact O-CG 3.27Å; A460-M464 PolarHBondContact O-N 3.32Å; N461-M464 PolarHBondContact O-N 2.72Å; N461-M464 VanDerWaalsContact OD1-CE 3.31Å; N461-M464 WeakPolarHBondContact OD1-CE 3.48Å; A462-M464 PolarHBondContact O-N 2.8Å; M464-E466 PolarHBondContact O-N 2.91Å; M464-V467 PolarHBondContact O-N 2.78Å; M464-S468 PolarHBondContact O-N 2.88Å; M464-S468 PolarHBondContact O-OG 3.37Å; M464-L487 HydrophobicContact CE-CB 4.13Å; M464-L487 WeakPolarHBondContact CE-O 3.48Å; M464-L487 HydrophobicContact CG-CB 3.54Å; M464-L487 HydrophobicContact CG-CD1 3.82Å; M464-L487 HydrophobicContact CG-CG 4.35Å; M464-L487 HydrophobicContact SD-CB 3.63Å
465K98Very high97.6Very high109 Ų10955 Ų5547%0.47428%0.28SS..Hα-helixtrans-58.2-46.5178.3-173.2-178.6177.6-176.30111.5N461 A462 V467 S468 E469N461-K465 PolarHBondContact O-N 3.24Å; A462-K465 WeakPolarHBondContact O-CB 3.27Å; A462-K465 PolarHBondContact O-N 3.44Å; A462-K465 VanDerWaalsContact O-N 3.13Å; K465-V467 VanDerWaalsContact C-N 3.26Å; K465-V467 PolarHBondContact O-N 3.21Å; K465-S468 WeakPolarHBondContact CA-OG 3.37Å; K465-S468 PolarHBondContact O-N 3.12Å; K465-S468 VanDerWaalsContact O-N 3.11Å; K465-S468 PolarHBondContact O-OG 2.82Å; K465-E469 VanDerWaalsContact CE-CD 3.45Å; K465-E469 WeakPolarHBondContact CE-OE1 3.13Å; K465-E469 WeakPolarHBondContact CE-OE2 3.32Å; K465-E469 HydrophobicContact CG-CG 4.26Å; K465-E469 IonicContact NZ-OE1 3.85Å; K465-E469 WeakPolarHBondContact O-CB 3.48Å; K465-E469 WeakPolarHBondContact O-CG 3.45Å; K465-E469 PolarHBondContact O-N 3.15Å
466E98.3Very high97.4Very high23 Ų2351.3 Ų51.311%0.10727%0.271CS..Hα-helixtrans-57.5-36.1178.6-64.3-54.3121.700113.6A462 M464 G470 R471 L472 L615 L621A462-E466 WeakPolarHBondContact O-CG 3.29Å; A462-E466 PolarHBondContact O-N 2.84Å; A462-E466 VanDerWaalsContact O-N 3.1Å; M464-E466 PolarHBondContact O-N 2.91Å; E466-G470 PolarHBondContact O-N 3.13Å; E466-R471 VanDerWaalsContact CD-NH2 3.3Å; E466-R471 PolarHBondContact O-N 3.43Å; E466-R471 IonicContact OE1-CZ 2.83Å; E466-R471 IonicContact OE1-NE 3.1Å; E466-R471 IonicContact OE1-NH2 3.98Å; E466-R471 PolarHBondContact OE1-NH2 3.25Å; E466-R471 IonicContact OE2-CZ 3.51Å; E466-R471 IonicContact OE2-NE 3.34Å; E466-R471 PolarHBondContact OE2-NE 3.24Å; E466-R471 IonicContact OE2-NH2 2.88Å; E466-R471 PolarHBondContact OE2-NH2 3.13Å; E466-L472 HydrophobicContact CB-CB 4.07Å; E466-L472 PolarHBondContact O-N 3.44Å; E466-L615 HydrophobicContact CG-CD1 3.78Å; E466-L615 HydrophobicContact CG-CD2 4.04Å; E466-L621 HydrophobicContact CB-CD1 4.37Å; E466-L621 HydrophobicContact CB-CD2 3.99Å; E466-L621 HydrophobicContact CG-CD1 4.48Å; E466-L621 HydrophobicContact CG-CD2 3.82Å; E466-L621 HydrophobicContact CG-CG 4.23Å
467V97.8Very high97.3Very high14 Ų1455.3 Ų55.39%0.08530%0.299CS..Hα-helixtrans-73.9-45175.2177.60000111M464 K465 E469 G470 L472 I474 I480 W483M464-V467 PolarHBondContact O-N 2.78Å; K465-V467 VanDerWaalsContact C-N 3.26Å; K465-V467 PolarHBondContact O-N 3.21Å; V467-E469 VanDerWaalsContact C-N 3.26Å; V467-E469 PolarHBondContact O-N 3.46Å; V467-G470 PolarHBondContact O-N 2.8Å; V467-G470 VanDerWaalsContact O-N 3.11Å; V467-L472 HydrophobicContact CG2-CB 4.04Å; V467-L472 HydrophobicContact CG2-CD2 3.76Å; V467-L472 HydrophobicContact CG2-CG 4.04Å; V467-I474 HydrophobicContact CG1-CD1 4.34Å; V467-I474 HydrophobicContact CG2-CD1 3.9Å; V467-I474 HydrophobicContact CG2-CG1 4.38Å; V467-I480 HydrophobicContact CG1-CD1 4.25Å; V467-I480 HydrophobicContact CG1-CG1 4.06Å; V467-I480 HydrophobicContact CG1-CG2 4.06Å; V467-W483 HydrophobicContact CG2-CZ2 4.08Å
468S97.2Very high97Very high96 Ų9657.2 Ų57.267%0.67131%0.307SS*.Hα-helixtrans-63.9-31.1-179.468.10000113.3M464 K465 G470M464-S468 PolarHBondContact O-N 2.88Å; M464-S468 PolarHBondContact O-OG 3.37Å; K465-S468 WeakPolarHBondContact CA-OG 3.37Å; K465-S468 PolarHBondContact O-N 3.12Å; K465-S468 VanDerWaalsContact O-N 3.11Å; K465-S468 PolarHBondContact O-OG 2.82Å; S468-G470 VanDerWaalsContact C-N 3.32Å
469E97.5Very high96.9Very high93 Ų9351.6 Ų51.644%0.43528%0.277SS..THydrogen-bonded Turntrans-89.64178.2-65.5-177.9174.900112.7K465 V467 R471K465-E469 VanDerWaalsContact CE-CD 3.45Å; K465-E469 WeakPolarHBondContact CE-OE1 3.13Å; K465-E469 WeakPolarHBondContact CE-OE2 3.32Å; K465-E469 HydrophobicContact CG-CG 4.26Å; K465-E469 IonicContact NZ-OE1 3.85Å; K465-E469 WeakPolarHBondContact O-CB 3.48Å; K465-E469 WeakPolarHBondContact O-CG 3.45Å; K465-E469 PolarHBondContact O-N 3.15Å; V467-E469 VanDerWaalsContact C-N 3.26Å; V467-E469 PolarHBondContact O-N 3.46Å; E469-R471 PolarHBondContact O-N 3.43Å; E469-R471 IonicContact OE2-CZ 2.67Å; E469-R471 IonicContact OE2-NH1 3.19Å; E469-R471 PolarHBondContact OE2-NH1 2.99Å; E469-R471 IonicContact OE2-NH2 3.25Å; E469-R471 PolarHBondContact OE2-NH2 3.29Å
470G96.7Very high96.8Very high56 Ų5653.4 Ų53.458%0.57729%0.286SS*.THydrogen-bonded Turntrans74.84.2174.300000115.7E466 V467 S468E466-G470 PolarHBondContact O-N 3.13Å; V467-G470 PolarHBondContact O-N 2.8Å; V467-G470 VanDerWaalsContact O-N 3.11Å; S468-G470 VanDerWaalsContact C-N 3.32Å
471R97.8Very high96.7Very high109 Ų10963.5 Ų63.541%0.41132%0.324SS..SBendtrans-72.6-34.7176.6-71.7-165.7-66.5-80.8-2.1112.6E466 E469 L621E466-R471 VanDerWaalsContact CD-NH2 3.3Å; E466-R471 PolarHBondContact O-N 3.43Å; E466-R471 IonicContact OE1-CZ 2.83Å; E466-R471 IonicContact OE1-NE 3.1Å; E466-R471 IonicContact OE1-NH2 3.98Å; E466-R471 PolarHBondContact OE1-NH2 3.25Å; E466-R471 IonicContact OE2-CZ 3.51Å; E466-R471 IonicContact OE2-NE 3.34Å; E466-R471 PolarHBondContact OE2-NE 3.24Å; E466-R471 IonicContact OE2-NH2 2.88Å; E466-R471 PolarHBondContact OE2-NH2 3.13Å; E469-R471 PolarHBondContact O-N 3.43Å; E469-R471 IonicContact OE2-CZ 2.67Å; E469-R471 IonicContact OE2-NH1 3.19Å; E469-R471 PolarHBondContact OE2-NH1 2.99Å; E469-R471 IonicContact OE2-NH2 3.25Å; E469-R471 PolarHBondContact OE2-NH2 3.29Å; R471-L621 HydrophobicContact CB-CD1 4.01Å
472L98.5Very high96.4Very high2 Ų262.3 Ų62.31%0.0132%0.319CS..SBendtrans-106.2112.7170-178.762.3000110.2E466 V467 W483 V611 L621 F623 V626E466-L472 HydrophobicContact CB-CB 4.07Å; E466-L472 PolarHBondContact O-N 3.44Å; V467-L472 HydrophobicContact CG2-CB 4.04Å; V467-L472 HydrophobicContact CG2-CD2 3.76Å; V467-L472 HydrophobicContact CG2-CG 4.04Å; L472-W483 HydrophobicContact CD2-CH2 4.16Å; L472-W483 HydrophobicContact CD2-CZ2 4.1Å; L472-V611 HydrophobicContact CD2-CG1 4.11Å; L472-V611 HydrophobicContact CD2-CG2 3.68Å; L472-L621 HydrophobicContact CB-CD1 3.96Å; L472-L621 HydrophobicContact CB-CD2 4.23Å; L472-L621 HydrophobicContact CD2-CD2 4.33Å; L472-F623 HydrophobicContact CD1-CD2 4.03Å; L472-F623 HydrophobicContact CD1-CE2 4.18Å; L472-F623 WeakPolarHBondContact CD1-O 3.37Å; L472-V626 HydrophobicContact CD1-CG2 3.99Å
473R97.9Very high96.3Very high160 Ų16060.7 Ų60.760%0.60431%0.305SS*.EExtended strand (participates in β ladder)trans-92.7125.4178.4-167.7-177.4-56.1176.45.9110.9I475 H624 T625 V626R473-I475 HydrophobicContact CG-CD1 4.44Å; R473-I475 HydrophobicContact CG-CG1 4.07Å; R473-H624 PolarHBondContact N-O 3.02Å; R473-T625 HydrophobicContact CB-CG2 4.47Å; R473-T625 CarbonylContact O-C 3.58Å; R473-T625 WeakPolarHBondContact O-CA 3.34Å; R473-V626 PolarHBondContact O-N 3.23Å
474I97.6Very high96.3Very high7 Ų763.7 Ų63.74%0.03632%0.321CS..EExtended strand (participates in β ladder)trans-107.2122.4172.8-59.1177.7000109.3V467 P476 S477 H479 I480 W483 V626 L628V467-I474 HydrophobicContact CG1-CD1 4.34Å; V467-I474 HydrophobicContact CG2-CD1 3.9Å; V467-I474 HydrophobicContact CG2-CG1 4.38Å; I474-P476 CarbonylContact O-C 3.53Å; I474-S477 PolarHBondContact O-N 3.39Å; I474-H479 HydrophobicContact CG2-CB 3.86Å; I474-I480 HydrophobicContact CB-CG1 4.18Å; I474-W483 HydrophobicContact CD1-CB 4.11Å; I474-W483 HydrophobicContact CD1-CD2 3.75Å; I474-W483 HydrophobicContact CD1-CE3 3.89Å; I474-W483 HydrophobicContact CD1-CG 3.87Å; I474-W483 HydrophobicContact CD1-CZ3 4.5Å; I474-V626 HydrophobicContact CG1-CB 4.47Å; I474-L628 HydrophobicContact CG2-CD1 3.98Å
475I95.8Very high96Very high30 Ų3066.6 Ų66.615%0.15435%0.345CS..EExtended strand (participates in β ladder)trans-118.3127.9-178.7-54.9176.5000108.8R473 T625 V626 Y627 L628 F792R473-I475 HydrophobicContact CG-CD1 4.44Å; R473-I475 HydrophobicContact CG-CG1 4.07Å; I475-T625 HydrophobicContact CD1-CG2 3.74Å; I475-T625 HydrophobicContact CG1-CG2 4.32Å; I475-V626 PolarHBondContact N-O 3.34Å; I475-Y627 HydrophobicContact CB-CD2 4.09Å; I475-Y627 HydrophobicContact CG2-CD2 3.8Å; I475-Y627 HydrophobicContact CG2-CE2 4.27Å; I475-Y627 WeakPolarHBondContact O-CA 3.31Å; I475-L628 PolarHBondContact O-N 2.78Å; I475-F792 HydrophobicContact CD1-CD2 3.57Å; I475-F792 HydrophobicContact CD1-CE2 3.59Å; I475-F792 HydrophobicContact CD1-CG 4.34Å; I475-F792 HydrophobicContact CD1-CZ 4.35Å; I475-F792 HydrophobicContact CG2-CB 4.39Å
476P93.4Very high95.7Very high38 Ų3867.3 Ų67.325%0.24734%0.344CS..SBendcis-69.9152.7-9.5-23.135000114.2I474 F478 H479I474-P476 CarbonylContact O-C 3.53Å; P476-F478 HydrophobicContact CB-CD1 3.6Å; P476-F478 HydrophobicContact CB-CE1 3.3Å; P476-F478 HydrophobicContact CB-CG 4.42Å; P476-F478 HydrophobicContact CB-CZ 3.91Å; P476-F478 HydrophobicContact CG-CD1 4.47Å; P476-F478 HydrophobicContact CG-CE1 3.7Å; P476-F478 HydrophobicContact CG-CZ 3.96Å; P476-F478 PolarHBondContact O-N 3.29Å; P476-F478 VanDerWaalsContact O-N 3.09Å; P476-H479 PolarHBondContact O-N 2.9Å; P476-H479 VanDerWaalsContact O-N 3.14Å
477S93.8Very high95.6Very high88 Ų8866.2 Ų66.262%0.61534%0.34SS*.G310 helixtrans-61.5-22.7-174.659.40000114.8I474 H479 I480I474-S477 PolarHBondContact O-N 3.39Å; S477-H479 PolarHBondContact O-N 3.31Å; S477-H479 VanDerWaalsContact O-N 3.12Å; S477-I480 VanDerWaalsContact O-CB 3.28Å; S477-I480 WeakPolarHBondContact O-CB 3.37Å; S477-I480 WeakPolarHBondContact O-CD1 3.42Å; S477-I480 VanDerWaalsContact O-CG1 3.23Å; S477-I480 WeakPolarHBondContact O-CG1 3.43Å; S477-I480 PolarHBondContact O-N 3.08Å
478F92.6Very high95.4Very high93 Ų9373.6 Ų73.641%0.40837%0.37SS..G310 helixtrans-64.2-16.8177.565.5-109000113.5P476 I480 R711P476-F478 HydrophobicContact CB-CD1 3.6Å; P476-F478 HydrophobicContact CB-CE1 3.3Å; P476-F478 HydrophobicContact CB-CG 4.42Å; P476-F478 HydrophobicContact CB-CZ 3.91Å; P476-F478 HydrophobicContact CG-CD1 4.47Å; P476-F478 HydrophobicContact CG-CE1 3.7Å; P476-F478 HydrophobicContact CG-CZ 3.96Å; P476-F478 PolarHBondContact O-N 3.29Å; P476-F478 VanDerWaalsContact O-N 3.09Å; F478-I480 VanDerWaalsContact C-N 3.27Å; F478-I480 PolarHBondContact O-N 2.99Å; F478-R711 HydrophobicContact CE2-CG 4.28Å; F478-R711 VanDerWaalsContact CE2-NE 3.31Å; F478-R711 HydrophobicContact CZ-CG 4.23Å
479H94.3Very high95Very high7 Ų774.1 Ų74.13%0.03237%0.366CS..G310 helixtrans-73.4-15.8173.8-75.9-67.7000113.5I474 P476 S477 R481 T482 W483 H600 I603 L628I474-H479 HydrophobicContact CG2-CB 3.86Å; P476-H479 PolarHBondContact O-N 2.9Å; P476-H479 VanDerWaalsContact O-N 3.14Å; S477-H479 PolarHBondContact O-N 3.31Å; S477-H479 VanDerWaalsContact O-N 3.12Å; H479-R481 PolarHBondContact O-N 2.72Å; H479-T482 WeakPolarHBondContact O-CB 3.31Å; H479-T482 PolarHBondContact O-N 2.66Å; H479-W483 PolarHBondContact O-N 2.51Å; H479-H600 WeakPolarHBondContact CE1-CB 3.5Å; H479-H600 AromaticContact CE1-CG 3.81Å; H479-I603 HydrophobicContact CB-CD1 4.32Å; H479-L628 HydrophobicContact CB-CD1 3.75Å
480I96.3Very high94.7Very high53 Ų5370 Ų7027%0.27235%0.347SS..Hα-helixtrans-59.3-34.8176.4-64169.8000110.9V467 I474 S477 F478 T482 W483 N484V467-I480 HydrophobicContact CG1-CD1 4.25Å; V467-I480 HydrophobicContact CG1-CG1 4.06Å; V467-I480 HydrophobicContact CG1-CG2 4.06Å; I474-I480 HydrophobicContact CB-CG1 4.18Å; S477-I480 VanDerWaalsContact O-CB 3.28Å; S477-I480 WeakPolarHBondContact O-CB 3.37Å; S477-I480 WeakPolarHBondContact O-CD1 3.42Å; S477-I480 VanDerWaalsContact O-CG1 3.23Å; S477-I480 WeakPolarHBondContact O-CG1 3.43Å; S477-I480 PolarHBondContact O-N 3.08Å; F478-I480 VanDerWaalsContact C-N 3.27Å; F478-I480 PolarHBondContact O-N 2.99Å; I480-T482 VanDerWaalsContact C-N 3.35Å; I480-T482 PolarHBondContact O-N 3.39Å; I480-W483 WeakPolarHBondContact O-CB 3.35Å; I480-W483 PolarHBondContact O-N 3.37Å; I480-N484 WeakPolarHBondContact O-CB 3.39Å; I480-N484 VanDerWaalsContact O-CG 3.3Å; I480-N484 PolarHBondContact O-N 2.95Å; I480-N484 PolarHBondContact O-ND2 2.72Å
481R95.4Very high94.3Very high212 Ų21273.8 Ų73.880%0.835%0.35SS*.Hα-helixtrans-62.4-43174.7-175.2177.2-179.5173.11.7111.9H479 S485H479-R481 PolarHBondContact O-N 2.72Å; R481-S485 VanDerWaalsContact O-CB 3.31Å; R481-S485 WeakPolarHBondContact O-CB 3.31Å; R481-S485 PolarHBondContact O-N 2.7Å
482T92.7Very high94.1Very high47 Ų4770.6 Ų70.629%0.28834%0.34SS..Hα-helixtrans-66.1-46.2176.7-610000110.3H479 I480 N484 S485 W486 I603H479-T482 WeakPolarHBondContact O-CB 3.31Å; H479-T482 PolarHBondContact O-N 2.66Å; I480-T482 VanDerWaalsContact C-N 3.35Å; I480-T482 PolarHBondContact O-N 3.39Å; T482-N484 PolarHBondContact O-N 3.31Å; T482-S485 PolarHBondContact O-N 2.58Å; T482-W486 PolarHBondContact O-N 2.89Å; T482-W486 VanDerWaalsContact O-N 3.11Å; T482-I603 HydrophobicContact CG2-CG2 4.38Å
483W95.8Very high93.9Very high3 Ų371.6 Ų71.61%0.01134%0.344CS..Hα-helixtrans-52.2-54.7174.6177.2-92.8000112.4A463 V467 L472 I474 H479 I480 S485 W486 L487 I603 V607 A608 V611A463-W483 HydrophobicContact CB-CZ2 3.93Å; V467-W483 HydrophobicContact CG2-CZ2 4.08Å; L472-W483 HydrophobicContact CD2-CH2 4.16Å; L472-W483 HydrophobicContact CD2-CZ2 4.1Å; I474-W483 HydrophobicContact CD1-CB 4.11Å; I474-W483 HydrophobicContact CD1-CD2 3.75Å; I474-W483 HydrophobicContact CD1-CE3 3.89Å; I474-W483 HydrophobicContact CD1-CG 3.87Å; I474-W483 HydrophobicContact CD1-CZ3 4.5Å; H479-W483 PolarHBondContact O-N 2.51Å; I480-W483 WeakPolarHBondContact O-CB 3.35Å; I480-W483 PolarHBondContact O-N 3.37Å; W483-S485 VanDerWaalsContact C-N 3.35Å; W483-S485 PolarHBondContact O-N 2.8Å; W483-W486 PolarHBondContact O-N 3.38Å; W483-L487 HydrophobicContact CD2-CD1 3.83Å; W483-L487 HydrophobicContact CE3-CD1 4.49Å; W483-L487 HydrophobicContact CG-CD1 4.22Å; W483-L487 HydrophobicContact CH2-CD1 4.36Å; W483-L487 HydrophobicContact CZ2-CD1 3.67Å; W483-L487 WeakPolarHBondContact O-CG 3.46Å; W483-L487 PolarHBondContact O-N 3.4Å; W483-L487 VanDerWaalsContact O-N 3.11Å; W483-I603 HydrophobicContact CB-CD1 4.35Å; W483-I603 HydrophobicContact CE3-CD1 4.07Å; W483-I603 HydrophobicContact CE3-CG1 3.96Å; W483-I603 HydrophobicContact CZ3-CG1 4.41Å; W483-V607 HydrophobicContact CZ3-CB 4.38Å; W483-V607 HydrophobicContact CZ3-CG1 4.05Å; W483-A608 HydrophobicContact CE3-CB 4.32Å; W483-A608 HydrophobicContact CH2-CB 3.91Å; W483-A608 HydrophobicContact CZ3-CB 3.66Å; W483-V611 HydrophobicContact CH2-CB 4.11Å; W483-V611 HydrophobicContact CH2-CG1 4.38Å; W483-V611 HydrophobicContact CH2-CG2 4Å; W483-V611 HydrophobicContact CZ2-CG1 4.42Å
484N96.3Very high93.8Very high64 Ų6465 Ų6534%0.34232%0.323SS..Hα-helixtrans-63.8-39.1179.9-69.3-15.9000112.2I480 T482 W486 L487 K488I480-N484 WeakPolarHBondContact O-CB 3.39Å; I480-N484 VanDerWaalsContact O-CG 3.3Å; I480-N484 PolarHBondContact O-N 2.95Å; I480-N484 PolarHBondContact O-ND2 2.72Å; T482-N484 PolarHBondContact O-N 3.31Å; N484-W486 VanDerWaalsContact C-N 3.28Å; N484-W486 PolarHBondContact O-N 3Å; N484-L487 PolarHBondContact O-N 3.39Å; N484-K488 VanDerWaalsContact O-CB 3.26Å; N484-K488 WeakPolarHBondContact O-CB 3.39Å; N484-K488 PolarHBondContact O-N 2.73Å
485S93.5Very high93.7Very high94 Ų9464.7 Ų64.766%0.65732%0.321SS*.Hα-helixtrans-61.9-37.1178.9-172.40000112.5R481 T482 W483R481-S485 VanDerWaalsContact O-CB 3.31Å; R481-S485 WeakPolarHBondContact O-CB 3.31Å; R481-S485 PolarHBondContact O-N 2.7Å; T482-S485 PolarHBondContact O-N 2.58Å; W483-S485 VanDerWaalsContact C-N 3.35Å; W483-S485 PolarHBondContact O-N 2.8Å
486W91.2Very high93.7Very high124 Ų12463.3 Ų63.347%0.4731%0.314SS..Hα-helixtrans-77.2-37179.2-81.7109.3000113T482 W483 N484 F604T482-W486 PolarHBondContact O-N 2.89Å; T482-W486 VanDerWaalsContact O-N 3.11Å; W483-W486 PolarHBondContact O-N 3.38Å; N484-W486 VanDerWaalsContact C-N 3.28Å; N484-W486 PolarHBondContact O-N 3Å; W486-F604 HydrophobicContact CB-CB 4.47Å; W486-F604 HydrophobicContact CB-CD2 3.49Å; W486-F604 VanDerWaalsContact CB-CD2 3.49Å; W486-F604 HydrophobicContact CB-CE2 3.94Å; W486-F604 HydrophobicContact CB-CG 4.15Å; W486-F604 HydrophobicContact CD2-CB 4.13Å; W486-F604 HydrophobicContact CD2-CD1 4.27Å; W486-F604 HydrophobicContact CD2-CD2 4.08Å; W486-F604 AromaticContact CD2-CG 3.89Å; W486-F604 HydrophobicContact CD2-CG 3.89Å; W486-F604 AromaticContact CE3-CD1 3.85Å; W486-F604 HydrophobicContact CE3-CD1 3.85Å; W486-F604 HydrophobicContact CE3-CD2 4.06Å; W486-F604 AromaticContact CE3-CE1 3.96Å; W486-F604 HydrophobicContact CE3-CE1 3.96Å; W486-F604 HydrophobicContact CE3-CE2 4.13Å; W486-F604 AromaticContact CE3-CG 3.89Å; W486-F604 HydrophobicContact CE3-CG 3.89Å; W486-F604 HydrophobicContact CE3-CZ 4.09Å; W486-F604 HydrophobicContact CG-CB 4.08Å; W486-F604 AromaticContact CG-CD2 3.88Å; W486-F604 HydrophobicContact CG-CD2 3.88Å; W486-F604 HydrophobicContact CG-CG 4.02Å; W486-F604 HydrophobicContact CZ3-CD1 4.14Å; W486-F604 HydrophobicContact CZ3-CE1 4.19Å
487L94.9Very high93.8Very high1 Ų162 Ų621%0.00530%0.304CS..Hα-helixtrans-88.5-17.2-173.3-65.5-178000114.3Q457 A460 A463 M464 W483 N484 D489 F604 A608Q457-L487 PolarHBondContact NE2-O 3.26Å; A460-L487 HydrophobicContact CB-CB 4.1Å; A460-L487 HydrophobicContact CB-CD2 3.83Å; A460-L487 HydrophobicContact CB-CG 4.46Å; A463-L487 HydrophobicContact CB-CD1 4.1Å; M464-L487 HydrophobicContact CE-CB 4.13Å; M464-L487 WeakPolarHBondContact CE-O 3.48Å; M464-L487 HydrophobicContact CG-CB 3.54Å; M464-L487 HydrophobicContact CG-CD1 3.82Å; M464-L487 HydrophobicContact CG-CG 4.35Å; M464-L487 HydrophobicContact SD-CB 3.63Å; W483-L487 HydrophobicContact CD2-CD1 3.83Å; W483-L487 HydrophobicContact CE3-CD1 4.49Å; W483-L487 HydrophobicContact CG-CD1 4.22Å; W483-L487 HydrophobicContact CH2-CD1 4.36Å; W483-L487 HydrophobicContact CZ2-CD1 3.67Å; W483-L487 WeakPolarHBondContact O-CG 3.46Å; W483-L487 PolarHBondContact O-N 3.4Å; W483-L487 VanDerWaalsContact O-N 3.11Å; N484-L487 PolarHBondContact O-N 3.39Å; L487-D489 VanDerWaalsContact C-N 3.35Å; L487-D489 PolarHBondContact O-N 3.11Å; L487-F604 HydrophobicContact CD2-CD2 4.28Å; L487-F604 HydrophobicContact CD2-CE2 4.06Å; L487-A608 HydrophobicContact CD2-CB 4.07Å
488K94.6Very high93.8Very high168 Ų16859 Ų5973%0.7328%0.28SS*.THydrogen-bonded Turntrans-63.1-37.5179-176178.7178.3-175.60113.3N484N484-K488 VanDerWaalsContact O-CB 3.26Å; N484-K488 WeakPolarHBondContact O-CB 3.39Å; N484-K488 PolarHBondContact O-N 2.73Å
489D88.2Confident93.8Very high108 Ų10854.9 Ų54.958%0.57826%0.262SS*.THydrogen-bonded Turntrans-127.171.5177.9-170.617.2000109.1L487 H491L487-D489 VanDerWaalsContact C-N 3.35Å; L487-D489 PolarHBondContact O-N 3.11Å; D489-H491 PolarHBondContact O-N 3.33Å; D489-H491 IonicContact OD1-CE1 2.74Å; D489-H491 PolarHBondContact OD1-CE1 3.02Å; D489-H491 VanDerWaalsContact OD1-CE1 3.27Å; D489-H491 IonicContact OD1-ND1 3.56Å; D489-H491 IonicContact OD2-CE1 3.8Å; D489-H491 IonicContact OD2-NE2 3.23Å
490C90.6Very high93.8Very high6 Ų656.7 Ų56.74%0.04127%0.269CS..  trans-94.391.4-172.9-1650000109.9C456 Q457 A460C456-C490 VanDerWaalsContact CB-SG 3.55Å; Q457-C490 PolarHBondContact OE1-O 3.1Å; A460-C490 HydrophobicContact CB-CB 3.64Å
491H89.4Confident93.7Very high136 Ų13654.2 Ų54.263%0.6326%0.256SS*.PPolyproline II helixtrans-61.1155.8176.6-57.5-41.1000112.9D489 W493D489-H491 PolarHBondContact O-N 3.33Å; D489-H491 IonicContact OD1-CE1 2.74Å; D489-H491 PolarHBondContact OD1-CE1 3.02Å; D489-H491 VanDerWaalsContact OD1-CE1 3.27Å; D489-H491 IonicContact OD1-ND1 3.56Å; D489-H491 IonicContact OD2-CE1 3.8Å; D489-H491 IonicContact OD2-NE2 3.23Å; H491-W493 PolarHBondContact O-N 3.49Å
492D93.7Very high93.7Very high41 Ų4144.3 Ų44.322%0.21922%0.22CC..PPolyproline II helixtrans-59.8127.1176.8-68.8-6.2000111.2Y237 Y453 L454 R455Y237-D492 PolarHBondContact OH-OD2 3.42Å; Y453-D492 HydrophobicContact CD1-CB 4.46Å; L454-D492 CarbonylContact O-C 3.35Å; L454-D492 WeakPolarHBondContact O-CA 3.26Å; R455-D492 WeakPolarHBondContact CA-OD1 3.43Å; R455-D492 IonicContact NH1-OD2 3.03Å
493W94Very high93.9Very high24 Ų2442.6 Ų42.69%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-85.2120-171.2171.925000110.9Y453 L454 H491 I495 D565 W567 F568 R609Y453-W493 CarbonylContact C-O 3.54Å; Y453-W493 VanDerWaalsContact CA-O 3.27Å; Y453-W493 WeakPolarHBondContact CA-O 3.39Å; L454-W493 HydrophobicContact CD2-CE3 3.96Å; L454-W493 HydrophobicContact CD2-CZ3 4.19Å; L454-W493 PolarHBondContact N-O 3.09Å; L454-W493 PolarHBondContact O-N 3.22Å; H491-W493 PolarHBondContact O-N 3.49Å; W493-I495 HydrophobicContact CD2-CG2 3.51Å; W493-I495 HydrophobicContact CE3-CG2 3.71Å; W493-I495 HydrophobicContact CG-CG2 3.93Å; W493-I495 HydrophobicContact CH2-CG2 4.28Å; W493-I495 HydrophobicContact CZ2-CG2 4.09Å; W493-I495 HydrophobicContact CZ3-CG2 4.08Å; W493-I495 PolarHBondContact O-N 3.49Å; W493-I495 VanDerWaalsContact O-N 3.12Å; W493-D565 HydrophobicContact CZ2-CB 4Å; W493-D565 WeakPolarHBondContact CZ2-OD2 3.47Å; W493-W567 HydrophobicContact CH2-CB 3.98Å; W493-W567 HydrophobicContact CZ2-CB 3.87Å; W493-F568 HydrophobicContact CH2-CB 3.93Å; W493-F568 HydrophobicContact CH2-CD2 4.43Å; W493-F568 HydrophobicContact CZ2-CB 4.4Å; W493-F568 HydrophobicContact CZ3-CD2 4.39Å; W493-R609 VanDerWaalsContact CE2-CZ 3.49Å; W493-R609 VanDerWaalsContact CH2-CD 3.44Å; W493-R609 VanDerWaalsContact CZ2-CZ 3.46Å; W493-R609 VanDerWaalsContact CZ3-CD 3.43Å; W493-R609 HydrophobicContact CZ3-CG 4.47Å
494C94.9Very high93.9Very high22 Ų2246.6 Ų46.615%0.14922%0.224CC..EExtended strand (participates in β ladder)trans-66.4106.4169.1-174.10000110.2W452 Y453 R497W452-C494 CarbonylContact O-C 3.6Å; W452-C494 WeakPolarHBondContact O-CA 3.31Å; Y453-C494 HydrophobicContact CD1-CB 4.09Å; Y453-C494 HydrophobicContact CE1-CB 3.7Å; C494-R497 PolarHBondContact O-NH1 3Å; C494-R497 PolarHBondContact O-NH2 3Å; C494-R497 VanDerWaalsContact O-NH2 3.11Å
495I95.8Very high94Very high0 Ų043.5 Ų43.50%021%0.208CC..  trans-97.6-5.3-175.156.8167.4000113.9F227 I236 W452 L454 W493 L564 D565 F568F227-I495 HydrophobicContact CD2-CD1 4.33Å; F227-I495 HydrophobicContact CE2-CD1 3.9Å; I236-I495 HydrophobicContact CD1-CD1 3.82Å; I236-I495 HydrophobicContact CG1-CD1 4.05Å; I236-I495 HydrophobicContact CG2-CD1 4.15Å; W452-I495 HydrophobicContact CB-CD1 4.24Å; W452-I495 HydrophobicContact CB-CG1 3.79Å; W452-I495 WeakPolarHBondContact O-CG1 3.34Å; W452-I495 PolarHBondContact O-N 3.3Å; L454-I495 HydrophobicContact CB-CD1 4.47Å; L454-I495 HydrophobicContact CB-CG2 3.93Å; W493-I495 HydrophobicContact CD2-CG2 3.51Å; W493-I495 HydrophobicContact CE3-CG2 3.71Å; W493-I495 HydrophobicContact CG-CG2 3.93Å; W493-I495 HydrophobicContact CH2-CG2 4.28Å; W493-I495 HydrophobicContact CZ2-CG2 4.09Å; W493-I495 HydrophobicContact CZ3-CG2 4.08Å; W493-I495 PolarHBondContact O-N 3.49Å; W493-I495 VanDerWaalsContact O-N 3.12Å; I495-L564 HydrophobicContact CB-CD2 4.48Å; I495-L564 HydrophobicContact CD1-CD2 4.17Å; I495-L564 HydrophobicContact CG1-CD2 4.48Å; I495-L564 CarbonylContact O-C 3.51Å; I495-L564 VanDerWaalsContact O-CA 3.24Å; I495-L564 WeakPolarHBondContact O-CA 3.37Å; I495-D565 PolarHBondContact O-N 2.86Å; I495-F568 HydrophobicContact CB-CD2 4.36Å; I495-F568 HydrophobicContact CD1-CD2 4.29Å; I495-F568 HydrophobicContact CD1-CE2 4.15Å; I495-F568 HydrophobicContact CG2-CD2 3.99Å
496S95.9Very high94.2Very high0 Ų039.3 Ų39.30%018%0.178CC..EExtended strand (participates in β ladder)trans-101.4147.217749.70000113.4Q451 W452 I505 V563Q451-S496 WeakPolarHBondContact CA-OG 3.48Å; Q451-S496 WeakPolarHBondContact CB-OG 3.47Å; Q451-S496 PolarHBondContact OE1-O 3.02Å; Q451-S496 PolarHBondContact OE1-OG 3.39Å; W452-S496 PolarHBondContact N-OG 2.93Å; S496-I505 VanDerWaalsContact CB-CD1 3.49Å; S496-V563 CarbonylContact C-O 3.55Å; S496-V563 WeakPolarHBondContact CA-O 3.34Å
497R94.8Very high94.5Very high10 Ų1033.4 Ų33.44%0.03816%0.156CC..EExtended strand (participates in β ladder)trans-138.4139.6179.2-59.8-69.2177.3-91.5-2.8109.9A252 C494 L499 D562 V563 D565A252-R497 WeakPolarHBondContact O-CD 3.37Å; C494-R497 PolarHBondContact O-NH1 3Å; C494-R497 PolarHBondContact O-NH2 3Å; C494-R497 VanDerWaalsContact O-NH2 3.11Å; R497-L499 HydrophobicContact CB-CD1 3.87Å; R497-L499 HydrophobicContact CB-CG 4.04Å; R497-L499 HydrophobicContact CG-CD1 4.46Å; R497-L499 PolarHBondContact O-N 3.4Å; R497-D562 WeakPolarHBondContact O-CA 3.48Å; R497-V563 HydrophobicContact CB-CG2 4.15Å; R497-V563 PolarHBondContact N-O 3.28Å; R497-V563 PolarHBondContact O-N 2.71Å; R497-D565 HydrophobicContact CG-CB 4.45Å; R497-D565 IonicContact CZ-OD1 3.91Å; R497-D565 VanDerWaalsContact CZ-OD1 3.23Å; R497-D565 IonicContact NE-OD1 3.95Å; R497-D565 PolarHBondContact NE-OD1 2.77Å; R497-D565 IonicContact NH2-OD1 3.72Å; R497-D565 PolarHBondContact NH2-OD1 3.16Å
498Q94Very high94.6Very high27 Ų2734.2 Ų34.213%0.12616%0.159CC..SBendtrans-85.661.5178.6-68.163.252.300109.9W245 R250 S251 D562W245-Q498 HydrophobicContact CH2-CB 4.24Å; W245-Q498 HydrophobicContact CH2-CG 3.96Å; W245-Q498 HydrophobicContact CZ3-CG 4.19Å; W245-Q498 VanDerWaalsContact CZ3-OE1 3.25Å; R250-Q498 WeakPolarHBondContact O-CB 3.32Å; S251-Q498 PolarHBondContact OG-N 2.77Å; S251-Q498 VanDerWaalsContact OG-N 3.14Å; Q498-D562 WeakPolarHBondContact CG-OD1 3.3Å; Q498-D562 PolarHBondContact NE2-OD1 3.2Å; Q498-D562 PolarHBondContact NE2-OD2 3.45Å
499L92.8Very high94.7Very high5 Ų527 Ų273%0.02613%0.128CC..  trans-120167.3-179.8-59.6170.7000109.7I154 R497 V563I154-L499 HydrophobicContact CB-CD1 3.63Å; I154-L499 HydrophobicContact CD1-CD1 4.47Å; I154-L499 HydrophobicContact CG1-CD1 3.99Å; I154-L499 HydrophobicContact CG1-CD2 4.27Å; R497-L499 HydrophobicContact CB-CD1 3.87Å; R497-L499 HydrophobicContact CB-CG 4.04Å; R497-L499 HydrophobicContact CG-CD1 4.46Å; R497-L499 PolarHBondContact O-N 3.4Å; L499-V563 HydrophobicContact CB-CG2 3.67Å
500W94.3Very high95.1Very high46 Ų4621.9 Ų21.917%0.17410%0.1CC..SBendtrans-102.9-30.5176.5-64.5-14.5000112.2R172 H173 R177 F180 M181R172-W500 HydrophobicContact CB-CE3 4.02Å; R172-W500 HydrophobicContact CB-CH2 4.26Å; R172-W500 HydrophobicContact CB-CZ3 3.58Å; R172-W500 HydrophobicContact CG-CE3 4.23Å; R172-W500 HydrophobicContact CG-CH2 4.08Å; R172-W500 HydrophobicContact CG-CZ3 3.82Å; R172-W500 WeakPolarHBondContact O-CH2 3.36Å; R172-W500 WeakPolarHBondContact O-CZ3 3.42Å; H173-W500 AromaticContact ND1-CH2 3.92Å; H173-W500 AromaticContact ND1-CZ2 3.89Å; R177-W500 HydrophobicContact CB-CD2 4.13Å; R177-W500 HydrophobicContact CB-CE3 4.14Å; R177-W500 HydrophobicContact CB-CZ3 4.38Å; R177-W500 HydrophobicContact CG-CB 4.17Å; R177-W500 HydrophobicContact CG-CD2 4.03Å; R177-W500 HydrophobicContact CG-CE3 4.29Å; R177-W500 HydrophobicContact CG-CG 3.97Å; R177-W500 PolarHBondContact NH2-O 3.32Å; F180-W500 HydrophobicContact CB-CE3 3.95Å; F180-W500 HydrophobicContact CB-CZ3 4.02Å; F180-W500 HydrophobicContact CD1-CB 4.34Å; F180-W500 AromaticContact CD1-CE3 3.71Å; F180-W500 HydrophobicContact CD1-CE3 3.71Å; F180-W500 HydrophobicContact CD1-CZ3 4.47Å; F180-W500 AromaticContact CG-CE3 3.99Å; F180-W500 HydrophobicContact CG-CE3 3.99Å; F180-W500 HydrophobicContact CG-CZ3 4.31Å; M181-W500 HydrophobicContact SD-CB 4.36Å
501W95.5Very high95.3Very high0 Ų022.1 Ų22.10%010%0.102CC..SBendtrans-89.7119.6176-178.3-111.9000111.7H151 Q157 M181 V184 W185 F213 M215H151-W501 HydrophobicContact CB-CZ2 4.13Å; H151-W501 PolarHBondContact O-NE1 3.48Å; Q157-W501 HydrophobicContact CB-CB 4.24Å; Q157-W501 HydrophobicContact CG-CB 4.2Å; M181-W501 HydrophobicContact CE-CE3 3.41Å; M181-W501 VanDerWaalsContact CE-CE3 3.41Å; M181-W501 HydrophobicContact CE-CZ3 3.72Å; M181-W501 HydrophobicContact SD-CE3 3.97Å; V184-W501 HydrophobicContact CB-CD2 4.15Å; V184-W501 HydrophobicContact CB-CE3 3.78Å; V184-W501 HydrophobicContact CB-CZ3 4.07Å; V184-W501 HydrophobicContact CG1-CB 4.43Å; V184-W501 HydrophobicContact CG1-CD2 3.25Å; V184-W501 VanDerWaalsContact CG1-CE2 3.48Å; V184-W501 HydrophobicContact CG1-CE3 3.34Å; V184-W501 HydrophobicContact CG1-CG 3.75Å; V184-W501 HydrophobicContact CG1-CH2 3.9Å; V184-W501 HydrophobicContact CG1-CZ2 3.78Å; V184-W501 HydrophobicContact CG1-CZ3 3.69Å; W185-W501 AromaticContact CD1-CZ3 4Å; W185-W501 AromaticContact CD2-CH2 3.92Å; W185-W501 HydrophobicContact CD2-CH2 3.92Å; W185-W501 HydrophobicContact CD2-CZ3 4.02Å; W185-W501 AromaticContact CE2-CH2 3.9Å; W185-W501 AromaticContact CE2-CZ3 3.77Å; W185-W501 HydrophobicContact CE3-CH2 4.17Å; W185-W501 HydrophobicContact CG-CH2 4.4Å; W185-W501 HydrophobicContact CG-CZ3 4.17Å; W185-W501 HydrophobicContact CH2-CH2 4.39Å; W185-W501 HydrophobicContact CZ2-CH2 4.14Å; W185-W501 HydrophobicContact CZ2-CZ3 4.26Å; W185-W501 HydrophobicContact CZ3-CH2 4.4Å; W185-W501 AromaticContact NE1-CZ3 3.75Å; F213-W501 HydrophobicContact CE1-CH2 4.38Å; F213-W501 HydrophobicContact CE1-CZ2 4.31Å; F213-W501 HydrophobicContact CZ-CH2 4.33Å; F213-W501 AromaticContact CZ-CZ2 3.82Å; F213-W501 HydrophobicContact CZ-CZ2 3.82Å; M215-W501 HydrophobicContact SD-CD2 4.41Å; M215-W501 HydrophobicContact SD-CH2 4.12Å; M215-W501 HydrophobicContact SD-CZ2 3.98Å; M215-W501 HydrophobicContact SD-CZ3 4.42Å
502G95.7Very high95.4Very high5 Ų516.2 Ų16.25%0.0528%0.075CC..SBendtrans140.3-179.5-178.100000111.6R504G502-R504 PolarHBondContact O-N 3.47Å
503H97Very high95.2Very high11 Ų1116.8 Ų16.85%0.0518%0.076CC..  trans-73.7114.8177.2-64.4-87.8000110.3T214 S220 V223 I505 V563 L564 S569T214-H503 PolarHBondContact O-CE1 2.9Å; T214-H503 PolarHBondContact O-NE2 3.48Å; S220-H503 PolarHBondContact OG-CE1 3.07Å; V223-H503 HydrophobicContact CG1-CB 3.91Å; H503-I505 PolarHBondContact O-N 2.79Å; H503-V563 CarbonylContact O-C 3.54Å; H503-V563 WeakPolarHBondContact O-CA 3.12Å; H503-V563 WeakPolarHBondContact O-CB 3.33Å; H503-L564 HydrophobicContact CB-CB 4.4Å; H503-L564 HydrophobicContact CB-CD1 4.1Å; H503-L564 PolarHBondContact O-N 2.92Å; H503-S569 VanDerWaalsContact CD2-CB 3.44Å; H503-S569 WeakPolarHBondContact CD2-CB 3.2Å; H503-S569 PolarHBondContact CD2-OG 2.85Å; H503-S569 WeakPolarHBondContact NE2-CB 3.49Å
504R95.7Very high94.8Very high86 Ų8622.1 Ų22.133%0.32510%0.096SC..BIsolated β-bridgetrans-60.4138.4172.2-73.2-169.769.1-175.21.8110.2G502 Q559 D560 N561 V563G502-R504 PolarHBondContact O-N 3.47Å; R504-Q559 VanDerWaalsContact CZ-OE1 3.27Å; R504-Q559 PolarHBondContact NH2-O 2.98Å; R504-D560 PolarHBondContact NE-O 3.39Å; R504-D560 PolarHBondContact NH2-O 2.93Å; R504-N561 PolarHBondContact NH2-OD1 3Å; R504-V563 HydrophobicContact CG-CG1 4.34Å
505I97.8Very high93.9Very high0 Ų026.8 Ų26.80%013%0.126CC..  trans-65.4128.3-179.8-60.9176.6000108.9F227 W452 S496 H503 A507 Q559 D560 D562 L564F227-I505 HydrophobicContact CE1-CG2 4.02Å; F227-I505 HydrophobicContact CE2-CG2 3.69Å; F227-I505 HydrophobicContact CZ-CG2 3.4Å; F227-I505 VanDerWaalsContact CZ-CG2 3.4Å; W452-I505 HydrophobicContact CG-CD1 4.07Å; S496-I505 VanDerWaalsContact CB-CD1 3.49Å; H503-I505 PolarHBondContact O-N 2.79Å; I505-A507 HydrophobicContact CG2-CB 3.74Å; I505-A507 PolarHBondContact O-N 2.74Å; I505-Q559 WeakPolarHBondContact O-CG 3.25Å; I505-Q559 PolarHBondContact O-NE2 2.99Å; I505-D560 HydrophobicContact CB-CB 4.19Å; I505-D562 HydrophobicContact CD1-CB 3.82Å; I505-D562 PolarHBondContact N-O 2.8Å; I505-D562 VanDerWaalsContact N-O 3.16Å; I505-L564 HydrophobicContact CD1-CD2 4.36Å; I505-L564 HydrophobicContact CG1-CD2 3.83Å; I505-L564 HydrophobicContact CG1-CG 3.88Å
506P97.5Very high93.2Very high5 Ų531 Ų313%0.03217%0.17CC..SBendtrans-80.546179.835.6-37.4000111.6T224 F227 V533 G534T224-P506 HydrophobicContact CG2-CB 3.85Å; T224-P506 HydrophobicContact CG2-CG 4.13Å; F227-P506 HydrophobicContact CB-CG 3.85Å; F227-P506 HydrophobicContact CD1-CG 3.55Å; F227-P506 HydrophobicContact CE1-CG 4.26Å; F227-P506 HydrophobicContact CG-CG 3.76Å; P506-V533 VanDerWaalsContact O-CA 3.3Å; P506-V533 WeakPolarHBondContact O-CA 3.13Å; P506-V533 WeakPolarHBondContact O-CB 3.41Å; P506-G534 PolarHBondContact O-N 3.12Å
507A97.8Very high92.4Very high0 Ų034.6 Ų34.60%019%0.192CC..EExtended strand (participates in β ladder)trans-118.7143.2176.700000109.7F227 W452 I505 W531 V532 V533 Q559 D560F227-A507 HydrophobicContact CE1-CB 4.43Å; W452-A507 HydrophobicContact CH2-CB 3.79Å; W452-A507 HydrophobicContact CZ2-CB 3.34Å; I505-A507 HydrophobicContact CG2-CB 3.74Å; I505-A507 PolarHBondContact O-N 2.74Å; A507-W531 HydrophobicContact CB-CE3 4.17Å; A507-V532 CarbonylContact C-O 3.56Å; A507-V532 WeakPolarHBondContact CA-O 3.44Å; A507-V533 HydrophobicContact CB-CG1 4.03Å; A507-Q559 CarbonylContact O-C 3.45Å; A507-Q559 WeakPolarHBondContact O-CA 3.5Å; A507-D560 PolarHBondContact O-N 2.71Å
508Y97.6Very high91.6Very high18 Ų1841.9 Ų41.97%0.07123%0.232CC..EExtended strand (participates in β ladder)trans-125.9125.3-172.2-59.7-100.2000109.7W531 V532 I537 A540 L557 K558 Q559Y508-W531 VanDerWaalsContact C-CE3 3.47Å; Y508-W531 WeakPolarHBondContact O-CA 3.48Å; Y508-V532 PolarHBondContact N-O 3.22Å; Y508-V532 PolarHBondContact O-N 2.88Å; Y508-V532 VanDerWaalsContact O-N 3.08Å; Y508-I537 HydrophobicContact CD1-CG1 4.27Å; Y508-I537 HydrophobicContact CE1-CB 3.97Å; Y508-I537 HydrophobicContact CE1-CD1 4.41Å; Y508-I537 HydrophobicContact CE1-CG1 3.99Å; Y508-A540 HydrophobicContact CD1-CB 4.49Å; Y508-A540 HydrophobicContact CD2-CB 3.37Å; Y508-A540 HydrophobicContact CE2-CB 3.71Å; Y508-A540 HydrophobicContact CG-CB 3.83Å; Y508-L557 HydrophobicContact CD1-CB 4.37Å; Y508-K558 CarbonylContact C-O 3.46Å; Y508-K558 WeakPolarHBondContact CA-O 3.33Å; Y508-Q559 HydrophobicContact CD1-CB 3.82Å; Y508-Q559 HydrophobicContact CD1-CG 4.42Å; Y508-Q559 HydrophobicContact CE1-CB 3.7Å; Y508-Q559 HydrophobicContact CE1-CG 4.11Å
509H96.7Very high90.9Very high17 Ų1749 Ų498%0.07926%0.262CS..EExtended strand (participates in β ladder)trans-77.9136.2173.8-171.7-99.8000109.9L523 P525 W531 L557 K558H509-L523 PolarHBondContact CE1-O 3.5Å; H509-L523 PolarHBondContact NE2-O 3.45Å; H509-P525 WeakPolarHBondContact NE2-CA 3.4Å; H509-W531 HydrophobicContact CB-CD2 4.29Å; H509-W531 HydrophobicContact CB-CE3 3.93Å; H509-W531 HydrophobicContact CB-CH2 3.7Å; H509-W531 HydrophobicContact CB-CZ2 4.05Å; H509-W531 HydrophobicContact CB-CZ3 3.62Å; H509-W531 AromaticContact CD2-CE2 3.61Å; H509-W531 AromaticContact CD2-CZ2 3.62Å; H509-W531 AromaticContact CD2-NE1 3.88Å; H509-W531 VanDerWaalsContact N-CE3 3.35Å; H509-L557 WeakPolarHBondContact O-CA 3.2Å; H509-K558 PolarHBondContact N-O 2.9Å; H509-K558 PolarHBondContact O-N 3.26Å
510I96.1Very high90.6Very high0 Ų051.5 Ų51.50%028%0.275CS..EExtended strand (participates in β ladder)trans-100.6133.6-174-58.1165000109.8I512 L523 S530 V532 A544 F548 L555 L557I510-I512 HydrophobicContact CG2-CD1 4.39Å; I510-I512 HydrophobicContact CG2-CG1 3.83Å; I510-L523 HydrophobicContact CB-CD1 4.03Å; I510-L523 HydrophobicContact CG2-CD1 4.14Å; I510-L523 WeakPolarHBondContact O-CG 3.38Å; I510-L523 PolarHBondContact O-N 2.97Å; I510-S530 PolarHBondContact N-O 3.46Å; I510-V532 HydrophobicContact CD1-CB 4.42Å; I510-V532 HydrophobicContact CD1-CG1 3.82Å; I510-V532 HydrophobicContact CD1-CG2 3.99Å; I510-V532 HydrophobicContact CG1-CG2 4.1Å; I510-A544 HydrophobicContact CD1-CB 4Å; I510-A544 HydrophobicContact CG1-CB 4.26Å; I510-F548 HydrophobicContact CD1-CD2 3.97Å; I510-F548 HydrophobicContact CD1-CE2 3.35Å; I510-F548 HydrophobicContact CD1-CZ 4.25Å; I510-F548 HydrophobicContact CG2-CD2 4.47Å; I510-F548 HydrophobicContact CG2-CE2 4.39Å; I510-L555 HydrophobicContact CG2-CD2 4.01Å; I510-L557 HydrophobicContact CB-CD2 4.16Å; I510-L557 HydrophobicContact CG1-CD2 3.6Å; I510-L557 HydrophobicContact CG2-CD2 4.35Å
511S94.6Very high90.3Very high11 Ų1152.4 Ų52.48%0.07728%0.281CS..EExtended strand (participates in β ladder)trans-123.5134.4165.3-54.20000109.2E521 I556S511-E521 CarbonylContact C-O 3.54Å; S511-E521 VanDerWaalsContact CA-O 3.23Å; S511-E521 WeakPolarHBondContact CA-O 3.39Å; S511-I556 PolarHBondContact N-O 3.24Å; S511-I556 PolarHBondContact O-N 3.14Å
512I92Very high90.1Very high13 Ų1356.7 Ų56.77%0.06731%0.307CS..EExtended strand (participates in β ladder)trans-115.7128.1-170-50.1-179.1000110.2I510 R514 E521 L523 F548 L555I510-I512 HydrophobicContact CG2-CD1 4.39Å; I510-I512 HydrophobicContact CG2-CG1 3.83Å; I512-R514 HydrophobicContact CG2-CG 4.29Å; I512-E521 PolarHBondContact N-O 3.06Å; I512-E521 WeakPolarHBondContact O-CB 3.42Å; I512-E521 PolarHBondContact O-N 3.01Å; I512-L523 HydrophobicContact CD1-CD1 4.16Å; I512-L523 HydrophobicContact CD1-CD2 4.15Å; I512-L523 HydrophobicContact CD1-CG 4.41Å; I512-F548 HydrophobicContact CD1-CB 4.24Å; I512-F548 HydrophobicContact CD1-CD1 3.43Å; I512-F548 VanDerWaalsContact CD1-CD1 3.43Å; I512-F548 HydrophobicContact CD1-CE1 3.85Å; I512-F548 HydrophobicContact CD1-CG 3.81Å; I512-L555 HydrophobicContact CB-CD2 4.32Å; I512-L555 HydrophobicContact CG1-CD2 3.82Å; I512-L555 HydrophobicContact CG2-CD2 4.24Å
513Q89Confident89.9Confident53 Ų5357.5 Ų57.525%0.24831%0.31CS..  trans-91.4101.2168.4-167.374.530.400108.9V517 D518 L520 N554Q513-V517 PolarHBondContact NE2-O 3.09Å; Q513-D518 PolarHBondContact NE2-O 3.37Å; Q513-L520 HydrophobicContact CB-CD1 4.25Å; Q513-N554 HydrophobicContact CB-CB 4.24Å; Q513-N554 PolarHBondContact N-O 3.21Å; Q513-N554 WeakPolarHBondContact O-CB 3.25Å
514R84.4Confident89.6Confident135 Ų13561.1 Ų61.151%0.50933%0.33SS..  trans-76.1144178.8-64.6-169.3-172.2-178.55.2111.3I512 G516 V517 E521I512-R514 HydrophobicContact CG2-CG 4.29Å; R514-G516 PolarHBondContact O-N 2.93Å; R514-V517 HydrophobicContact CB-CG2 4.4Å; R514-V517 PolarHBondContact O-N 3.26Å; R514-E521 IonicContact CZ-OE1 3.42Å; R514-E521 IonicContact CZ-OE2 2.66Å; R514-E521 IonicContact NE-OE2 2.79Å; R514-E521 PolarHBondContact NE-OE2 3.49Å; R514-E521 IonicContact NH2-OE1 3.56Å; R514-E521 PolarHBondContact NH2-OE1 3.1Å; R514-E521 IonicContact NH2-OE2 3.64Å; R514-E521 PolarHBondContact NH2-OE2 3.28Å
515P77.9Confident89.3Confident120 Ų12059.9 Ų59.978%0.77933%0.333SS*.THydrogen-bonded Turntrans-55.4127.1174.7-23.132.5000111.7
516G81Confident88.9Confident89 Ų8962.2 Ų62.292%0.91835%0.348SS*.THydrogen-bonded Turntrans83.92.2177.700000116.1R514R514-G516 PolarHBondContact O-N 2.93Å
517V78.6Confident88.6Confident75 Ų7565.3 Ų65.346%0.45536%0.364SS..  trans-115.4120.9174.4-176.40000108.1Q513 R514 K519Q513-V517 PolarHBondContact NE2-O 3.09Å; R514-V517 HydrophobicContact CB-CG2 4.4Å; R514-V517 PolarHBondContact O-N 3.26Å; V517-K519 VanDerWaalsContact C-N 3.27Å; V517-K519 HydrophobicContact CG1-CB 4.25Å; V517-K519 PolarHBondContact O-N 3.38Å
518D76.8Confident88.4Confident164 Ų16467.8 Ų67.888%0.87738%0.375SS*.SBendtrans-70.7-24.8178.2-73-26.4000112.6Q513Q513-D518 PolarHBondContact NE2-O 3.37Å
519K80.4Confident88.2Confident176 Ų17671.2 Ų71.277%0.76540%0.395SS*.SBendtrans-83.7125.4179.6-73.1-175.7177.9179.40111.6V517 E521V517-K519 VanDerWaalsContact C-N 3.27Å; V517-K519 HydrophobicContact CG1-CB 4.25Å; V517-K519 PolarHBondContact O-N 3.38Å; K519-E521 PolarHBondContact O-N 3.3Å
520L85.6Confident88.1Confident57 Ų5770.5 Ų70.530%0.29839%0.392SS..  trans-59.1120.3166-173.875.7000110.1Q513 V522 I556Q513-L520 HydrophobicContact CB-CD1 4.25Å; L520-V522 HydrophobicContact CD2-CG2 4.45Å; L520-V522 PolarHBondContact O-N 2.99Å; L520-I556 HydrophobicContact CD1-CD1 3.88Å; L520-I556 HydrophobicContact CD1-CG1 4.16Å; L520-I556 HydrophobicContact CD2-CB 4.48Å; L520-I556 HydrophobicContact CD2-CD1 3.83Å
521E89.5Confident88.1Confident65 Ų6571 Ų7130%0.30439%0.394SS..EExtended strand (participates in β ladder)trans-78.5105.2172.3-176.7-171.8-16700108.9S511 I512 R514 K519 L523S511-E521 CarbonylContact C-O 3.54Å; S511-E521 VanDerWaalsContact CA-O 3.23Å; S511-E521 WeakPolarHBondContact CA-O 3.39Å; I512-E521 PolarHBondContact N-O 3.06Å; I512-E521 WeakPolarHBondContact O-CB 3.42Å; I512-E521 PolarHBondContact O-N 3.01Å; R514-E521 IonicContact CZ-OE1 3.42Å; R514-E521 IonicContact CZ-OE2 2.66Å; R514-E521 IonicContact NE-OE2 2.79Å; R514-E521 PolarHBondContact NE-OE2 3.49Å; R514-E521 IonicContact NH2-OE1 3.56Å; R514-E521 PolarHBondContact NH2-OE1 3.1Å; R514-E521 IonicContact NH2-OE2 3.64Å; R514-E521 PolarHBondContact NH2-OE2 3.28Å; K519-E521 PolarHBondContact O-N 3.3Å; E521-L523 HydrophobicContact CG-CD2 4.3Å; E521-L523 PolarHBondContact O-N 3.35Å
522V89.6Confident88.2Confident91 Ų9170.9 Ų70.955%0.55239%0.393SS*.EExtended strand (participates in β ladder)trans-80.7113.5169.7-176.80000107.1L520L520-V522 HydrophobicContact CD2-CG2 4.45Å; L520-V522 PolarHBondContact O-N 2.99Å
523L92.1Very high88.5Confident22 Ų2270.4 Ų70.412%0.11539%0.39CS..  trans-61.6161.3177.8-60-175.4000111H509 I510 I512 E521 P525 S530 F548H509-L523 PolarHBondContact CE1-O 3.5Å; H509-L523 PolarHBondContact NE2-O 3.45Å; I510-L523 HydrophobicContact CB-CD1 4.03Å; I510-L523 HydrophobicContact CG2-CD1 4.14Å; I510-L523 WeakPolarHBondContact O-CG 3.38Å; I510-L523 PolarHBondContact O-N 2.97Å; I512-L523 HydrophobicContact CD1-CD1 4.16Å; I512-L523 HydrophobicContact CD1-CD2 4.15Å; I512-L523 HydrophobicContact CD1-CG 4.41Å; E521-L523 HydrophobicContact CG-CD2 4.3Å; E521-L523 PolarHBondContact O-N 3.35Å; L523-P525 VanDerWaalsContact O-CD 3.25Å; L523-P525 WeakPolarHBondContact O-CD 3.22Å; L523-S530 WeakPolarHBondContact CB-OG 3.48Å; L523-F548 HydrophobicContact CD1-CE1 3.79Å; L523-F548 HydrophobicContact CD1-CE2 4.3Å; L523-F548 HydrophobicContact CD1-CZ 3.51Å
524D91.5Very high88.8Confident87 Ų8767.9 Ų67.947%0.46538%0.378SS..  trans-67.1116.3179.9-177.3-13.3000110T526 D527 S530D524-T526 PolarHBondContact O-N 3.17Å; D524-T526 VanDerWaalsContact O-N 3.12Å; D524-T526 WeakPolarHBondContact OD1-CB 3.49Å; D524-T526 WeakPolarHBondContact OD1-CG2 3.31Å; D524-T526 PolarHBondContact OD1-N 2.91Å; D524-T526 PolarHBondContact OD1-OG1 3.25Å; D524-T526 PolarHBondContact OD2-OG1 3.4Å; D524-D527 HydrophobicContact CB-CB 4.34Å; D524-D527 PolarHBondContact O-N 3.45Å; D524-D527 VanDerWaalsContact O-N 3.09Å; D524-S530 WeakPolarHBondContact O-CB 3.31Å; D524-S530 PolarHBondContact O-OG 2.99Å
525P89Confident89.4Confident60 Ų6065 Ų6539%0.3937%0.37SS..THydrogen-bonded Turntrans-67.7-12.2-178.629-36.6000113.7R238 H509 L523 W531R238-P525 PolarHBondContact NE-O 3.42Å; H509-P525 WeakPolarHBondContact NE2-CA 3.4Å; L523-P525 VanDerWaalsContact O-CD 3.25Å; L523-P525 WeakPolarHBondContact O-CD 3.22Å; P525-W531 HydrophobicContact CB-CZ2 4.22Å; P525-W531 PolarHBondContact O-NE1 3.49Å; P525-W531 VanDerWaalsContact O-NE1 3.14Å
526T88.5Confident90.2Very high49 Ų4962.3 Ų62.330%0.30135%0.352SS..THydrogen-bonded Turntrans-82.7-24.2174.773.90000112.8P450 D524P450-T526 HydrophobicContact CB-CG2 4.18Å; P450-T526 HydrophobicContact CG-CG2 4.18Å; D524-T526 PolarHBondContact O-N 3.17Å; D524-T526 VanDerWaalsContact O-N 3.12Å; D524-T526 WeakPolarHBondContact OD1-CB 3.49Å; D524-T526 WeakPolarHBondContact OD1-CG2 3.31Å; D524-T526 PolarHBondContact OD1-N 2.91Å; D524-T526 PolarHBondContact OD1-OG1 3.25Å; D524-T526 PolarHBondContact OD2-OG1 3.4Å
527D92Very high90.9Very high69 Ų6961.8 Ų61.837%0.36933%0.327SS..SBendtrans-76.8127.7175.5-177.13.5000110D524 N529 S530 W531D524-D527 HydrophobicContact CB-CB 4.34Å; D524-D527 PolarHBondContact O-N 3.45Å; D524-D527 VanDerWaalsContact O-N 3.09Å; D527-N529 PolarHBondContact O-N 2.84Å; D527-N529 PolarHBondContact OD1-N 2.96Å; D527-S530 WeakPolarHBondContact O-CB 3.45Å; D527-S530 PolarHBondContact O-N 3.32Å; D527-W531 PolarHBondContact O-NE1 2.88Å
528H93.3Very high91.7Very high52 Ų5264.2 Ų64.224%0.24133%0.334CS..G310 helixtrans-59.7-31.9174.4175.873.3000112.3Y231 R238 S530 W531Y231-H528 AromaticContact CE2-CE1 3.35Å; Y231-H528 WeakPolarHBondContact CE2-CE1 3.47Å; Y231-H528 AromaticContact CZ-CE1 3.85Å; R238-H528 HydrophobicContact CB-CB 4.21Å; R238-H528 PolarHBondContact N-ND1 2.71Å; H528-S530 PolarHBondContact O-N 3.31Å; H528-W531 PolarHBondContact O-N 2.97Å
529N93.5Very high92.6Very high90 Ų9059.2 Ų59.248%0.48131%0.305SS..G310 helixtrans-71.4-16.2-179-67.9-46.4000113.7D527 W531 K547D527-N529 PolarHBondContact O-N 2.84Å; D527-N529 PolarHBondContact OD1-N 2.96Å; N529-W531 PolarHBondContact O-N 3.23Å; N529-K547 WeakPolarHBondContact O-CE 3.33Å; N529-K547 PolarHBondContact O-NZ 3.27Å
530S94.8Very high93.4Very high3 Ų350.8 Ų50.82%0.02127%0.268CS..G310 helixtrans-73.8-0.1174.9-53.90000114.1I510 L523 D524 D527 H528I510-S530 PolarHBondContact N-O 3.46Å; L523-S530 WeakPolarHBondContact CB-OG 3.48Å; D524-S530 WeakPolarHBondContact O-CB 3.31Å; D524-S530 PolarHBondContact O-OG 2.99Å; D527-S530 WeakPolarHBondContact O-CB 3.45Å; D527-S530 PolarHBondContact O-N 3.32Å; H528-S530 PolarHBondContact O-N 3.31Å
531W96.5Very high93.8Very high11 Ų1150.4 Ų50.44%0.04227%0.266CS..EExtended strand (participates in β ladder)trans-121.1150.8-174.7-58.580.7000112.5W452 A507 Y508 H509 P525 D527 H528 N529 K547 D560W452-W531 HydrophobicContact CH2-CB 4.02Å; W452-W531 HydrophobicContact CH2-CG 4.22Å; W452-W531 HydrophobicContact CZ2-CB 4.31Å; W452-W531 HydrophobicContact CZ2-CD2 4.01Å; W452-W531 HydrophobicContact CZ2-CE3 4.05Å; W452-W531 HydrophobicContact CZ2-CG 4.12Å; A507-W531 HydrophobicContact CB-CE3 4.17Å; Y508-W531 VanDerWaalsContact C-CE3 3.47Å; Y508-W531 WeakPolarHBondContact O-CA 3.48Å; H509-W531 HydrophobicContact CB-CD2 4.29Å; H509-W531 HydrophobicContact CB-CE3 3.93Å; H509-W531 HydrophobicContact CB-CH2 3.7Å; H509-W531 HydrophobicContact CB-CZ2 4.05Å; H509-W531 HydrophobicContact CB-CZ3 3.62Å; H509-W531 AromaticContact CD2-CE2 3.61Å; H509-W531 AromaticContact CD2-CZ2 3.62Å; H509-W531 AromaticContact CD2-NE1 3.88Å; H509-W531 VanDerWaalsContact N-CE3 3.35Å; P525-W531 HydrophobicContact CB-CZ2 4.22Å; P525-W531 PolarHBondContact O-NE1 3.49Å; P525-W531 VanDerWaalsContact O-NE1 3.14Å; D527-W531 PolarHBondContact O-NE1 2.88Å; H528-W531 PolarHBondContact O-N 2.97Å; N529-W531 PolarHBondContact O-N 3.23Å; W531-K547 PolarHBondContact O-NZ 3.29Å; W531-D560 HydrophobicContact CH2-CB 4.19Å; W531-D560 HydrophobicContact CZ3-CB 3.7Å
532V96.8Very high94.1Very high8 Ų852.5 Ų52.55%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-132.4154.3167.4-76.40000109.9A507 Y508 I510 A540 K543 A544 K547 L557A507-V532 CarbonylContact C-O 3.56Å; A507-V532 WeakPolarHBondContact CA-O 3.44Å; Y508-V532 PolarHBondContact N-O 3.22Å; Y508-V532 PolarHBondContact O-N 2.88Å; Y508-V532 VanDerWaalsContact O-N 3.08Å; I510-V532 HydrophobicContact CD1-CB 4.42Å; I510-V532 HydrophobicContact CD1-CG1 3.82Å; I510-V532 HydrophobicContact CD1-CG2 3.99Å; I510-V532 HydrophobicContact CG1-CG2 4.1Å; V532-A540 HydrophobicContact CG2-CB 4.19Å; V532-A540 WeakPolarHBondContact CG2-O 3.31Å; V532-K543 HydrophobicContact CB-CB 4.45Å; V532-K543 HydrophobicContact CG1-CB 4.25Å; V532-A544 HydrophobicContact CG1-CB 4.41Å; V532-A544 HydrophobicContact CG2-CB 4.18Å; V532-K547 HydrophobicContact CG1-CD 4.11Å; V532-L557 HydrophobicContact CG2-CD1 4.37Å
533V97.3Very high94.4Very high2 Ų251 Ų511%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-117.2145.7178.6-54.50000110.7F227 I228 Y231 P506 A507 K543F227-V533 HydrophobicContact CD1-CG1 4.32Å; F227-V533 HydrophobicContact CE1-CB 4.49Å; F227-V533 HydrophobicContact CE1-CG1 3.71Å; I228-V533 HydrophobicContact CG1-CB 4.3Å; I228-V533 HydrophobicContact CG1-CG2 4.16Å; I228-V533 HydrophobicContact CG2-CG2 4.39Å; Y231-V533 HydrophobicContact CD1-CB 4.3Å; Y231-V533 HydrophobicContact CD1-CG1 3.93Å; Y231-V533 HydrophobicContact CD1-CG2 3.33Å; Y231-V533 HydrophobicContact CD2-CG1 3.61Å; Y231-V533 HydrophobicContact CD2-CG2 4.49Å; Y231-V533 HydrophobicContact CE1-CG1 4.08Å; Y231-V533 HydrophobicContact CE1-CG2 3.77Å; Y231-V533 HydrophobicContact CE2-CG1 3.75Å; Y231-V533 HydrophobicContact CG-CB 4.39Å; Y231-V533 HydrophobicContact CG-CG1 3.7Å; Y231-V533 HydrophobicContact CG-CG2 3.76Å; P506-V533 VanDerWaalsContact O-CA 3.3Å; P506-V533 WeakPolarHBondContact O-CA 3.13Å; P506-V533 WeakPolarHBondContact O-CB 3.41Å; A507-V533 HydrophobicContact CB-CG1 4.03Å; V533-K543 WeakPolarHBondContact O-CD 3.17Å; V533-K543 PolarHBondContact O-NZ 3.03Å
534G96.2Very high94.5Very high0 Ų050 Ų500%026%0.257CS..  trans-164.2154.9179.900000112.1I228 P506 T536I228-G534 VanDerWaalsContact CD1-C 3.43Å; P506-G534 PolarHBondContact O-N 3.12Å; G534-T536 VanDerWaalsContact C-N 3.25Å
535H96Very high94.6Very high74 Ų7446.4 Ų46.434%0.34324%0.239SC..SBendtrans-68.9-32175.8-58.887.7000111T224 E225 I228 E539T224-H535 HydrophobicContact CG2-CB 4.45Å; E225-H535 IonicContact OE2-CD2 3.67Å; E225-H535 IonicContact OE2-CE1 3.41Å; E225-H535 IonicContact OE2-NE2 3.08Å; E225-H535 PolarHBondContact OE2-NE2 3.46Å; I228-H535 HydrophobicContact CD1-CB 4.35Å; I228-H535 WeakPolarHBondContact CD1-NE2 3.38Å; H535-E539 VanDerWaalsContact CB-OE2 3.28Å; H535-E539 WeakPolarHBondContact CB-OE2 3.41Å; H535-E539 IonicContact CE1-OE2 2.87Å; H535-E539 IonicContact CG-OE2 3.24Å; H535-E539 PolarHBondContact N-OE2 3.5Å; H535-E539 IonicContact ND1-OE1 2.76Å; H535-E539 PolarHBondContact ND1-OE1 3.31Å; H535-E539 IonicContact ND1-OE2 3.03Å; H535-E539 PolarHBondContact ND1-OE2 3.5Å
536T95.8Very high94.8Very high64 Ų6449 Ų4939%0.39325%0.249SC..SBendtrans-132166.6174.579.70000110.5G534 E538 E539 A540G534-T536 VanDerWaalsContact C-N 3.25Å; T536-E538 WeakPolarHBondContact CB-OE2 3.38Å; T536-E538 PolarHBondContact O-N 3.39Å; T536-E538 PolarHBondContact OG1-N 2.93Å; T536-E538 PolarHBondContact OG1-OE2 3.2Å; T536-E539 PolarHBondContact O-N 2.94Å; T536-E539 PolarHBondContact OG1-N 3.44Å; T536-A540 PolarHBondContact O-N 3.49Å; T536-A540 VanDerWaalsContact O-N 3.12Å
537I95.1Very high95Very high78 Ų7850.8 Ų50.840%0.425%0.253SS..Hα-helixtrans-66.2-30.5177.3-170.7167.4000111.7Y508 A540 L541 L557Y508-I537 HydrophobicContact CD1-CG1 4.27Å; Y508-I537 HydrophobicContact CE1-CB 3.97Å; Y508-I537 HydrophobicContact CE1-CD1 4.41Å; Y508-I537 HydrophobicContact CE1-CG1 3.99Å; I537-A540 PolarHBondContact O-N 2.95Å; I537-L541 VanDerWaalsContact O-CB 3.29Å; I537-L541 WeakPolarHBondContact O-CB 3.42Å; I537-L541 PolarHBondContact O-N 2.96Å; I537-L557 HydrophobicContact CD1-CB 4.49Å; I537-L557 HydrophobicContact CG1-CB 4.43Å
538E95.4Very high94.9Very high127 Ų12750.8 Ų50.859%0.59325%0.25SC*.Hα-helixtrans-67.7-43.7177.5-58.773.3-158.100111.4T536 A540 L541 Q542T536-E538 WeakPolarHBondContact CB-OE2 3.38Å; T536-E538 PolarHBondContact O-N 3.39Å; T536-E538 PolarHBondContact OG1-N 2.93Å; T536-E538 PolarHBondContact OG1-OE2 3.2Å; E538-A540 VanDerWaalsContact C-N 3.35Å; E538-L541 PolarHBondContact O-N 2.9Å; E538-Q542 PolarHBondContact O-N 2.84Å
539E96.2Very high94.7Very high58 Ų5855.7 Ų55.727%0.27128%0.278SS..Hα-helixtrans-63.1-43.1174-174.3-164.7155.700111.1H535 T536 L541 Q542 K543H535-E539 VanDerWaalsContact CB-OE2 3.28Å; H535-E539 WeakPolarHBondContact CB-OE2 3.41Å; H535-E539 IonicContact CE1-OE2 2.87Å; H535-E539 IonicContact CG-OE2 3.24Å; H535-E539 PolarHBondContact N-OE2 3.5Å; H535-E539 IonicContact ND1-OE1 2.76Å; H535-E539 PolarHBondContact ND1-OE1 3.31Å; H535-E539 IonicContact ND1-OE2 3.03Å; H535-E539 PolarHBondContact ND1-OE2 3.5Å; T536-E539 PolarHBondContact O-N 2.94Å; T536-E539 PolarHBondContact OG1-N 3.44Å; E539-L541 VanDerWaalsContact C-N 3.32Å; E539-L541 PolarHBondContact O-N 3.08Å; E539-Q542 PolarHBondContact O-N 3.3Å; E539-K543 WeakPolarHBondContact O-CG 2.93Å; E539-K543 PolarHBondContact O-N 3.06Å; E539-K543 VanDerWaalsContact O-N 3.08Å; E539-K543 WeakPolarHBondContact OE1-CE 3.39Å; E539-K543 IonicContact OE1-NZ 3.71Å; E539-K543 PolarHBondContact OE1-NZ 3.4Å
540A95.7Very high94.4Very high0 Ų052.3 Ų52.30%026%0.261CS..Hα-helixtrans-63.5-39.5176.900000111.7Y508 V532 T536 I537 E538 K543 A544 L557Y508-A540 HydrophobicContact CD1-CB 4.49Å; Y508-A540 HydrophobicContact CD2-CB 3.37Å; Y508-A540 HydrophobicContact CE2-CB 3.71Å; Y508-A540 HydrophobicContact CG-CB 3.83Å; V532-A540 HydrophobicContact CG2-CB 4.19Å; V532-A540 WeakPolarHBondContact CG2-O 3.31Å; T536-A540 PolarHBondContact O-N 3.49Å; T536-A540 VanDerWaalsContact O-N 3.12Å; I537-A540 PolarHBondContact O-N 2.95Å; E538-A540 VanDerWaalsContact C-N 3.35Å; A540-K543 PolarHBondContact O-N 3.02Å; A540-A544 WeakPolarHBondContact O-CB 3.42Å; A540-A544 PolarHBondContact O-N 2.79Å; A540-L557 HydrophobicContact CB-CD1 3.81Å
541L95.9Very high94.1Very high48 Ų4854.7 Ų54.725%0.25128%0.276SS..Hα-helixtrans-62.5-46.2176.6-176.662.2000111I537 E538 E539 K543 A544 C545 P552 L555 L557I537-L541 VanDerWaalsContact O-CB 3.29Å; I537-L541 WeakPolarHBondContact O-CB 3.42Å; I537-L541 PolarHBondContact O-N 2.96Å; E538-L541 PolarHBondContact O-N 2.9Å; E539-L541 VanDerWaalsContact C-N 3.32Å; E539-L541 PolarHBondContact O-N 3.08Å; L541-K543 PolarHBondContact O-N 3.32Å; L541-A544 WeakPolarHBondContact O-CB 3.5Å; L541-A544 PolarHBondContact O-N 2.9Å; L541-A544 VanDerWaalsContact O-N 3.12Å; L541-C545 PolarHBondContact O-N 2.61Å; L541-C545 PolarHBondContact O-SG 2.67Å; L541-P552 HydrophobicContact CD1-CB 4.28Å; L541-P552 HydrophobicContact CD2-CB 3.78Å; L541-P552 HydrophobicContact CG-CB 4.05Å; L541-L555 HydrophobicContact CD1-CB 3.84Å; L541-L555 HydrophobicContact CD1-CD1 4.3Å; L541-L557 HydrophobicContact CB-CD1 4.02Å; L541-L557 HydrophobicContact CD1-CD1 4.35Å; L541-L557 HydrophobicContact CD1-CG 4.25Å; L541-L557 VanDerWaalsContact N-CD1 3.34Å
542Q95Very high93.8Very high109 Ų10957.2 Ų57.251%0.50929%0.294SS..Hα-helixtrans-59.4-46.1176.4-17359.351.700111.6E538 E539 A544 C545 D546E538-Q542 PolarHBondContact O-N 2.84Å; E539-Q542 PolarHBondContact O-N 3.3Å; Q542-A544 VanDerWaalsContact C-N 3.27Å; Q542-A544 PolarHBondContact O-N 2.98Å; Q542-C545 WeakPolarHBondContact O-CB 3.26Å; Q542-C545 PolarHBondContact O-N 3.31Å; Q542-D546 PolarHBondContact NE2-OD1 2.93Å; Q542-D546 PolarHBondContact O-N 2.95Å
543K95.1Very high93.5Very high60 Ų6063.9 Ų63.926%0.26133%0.325SS..Hα-helixtrans-61.6-35175.8-71.3175.7-175.4172.50112.7V532 V533 E539 A540 L541 K547V532-K543 HydrophobicContact CB-CB 4.45Å; V532-K543 HydrophobicContact CG1-CB 4.25Å; V533-K543 WeakPolarHBondContact O-CD 3.17Å; V533-K543 PolarHBondContact O-NZ 3.03Å; E539-K543 WeakPolarHBondContact O-CG 2.93Å; E539-K543 PolarHBondContact O-N 3.06Å; E539-K543 VanDerWaalsContact O-N 3.08Å; E539-K543 WeakPolarHBondContact OE1-CE 3.39Å; E539-K543 IonicContact OE1-NZ 3.71Å; E539-K543 PolarHBondContact OE1-NZ 3.4Å; A540-K543 PolarHBondContact O-N 3.02Å; L541-K543 PolarHBondContact O-N 3.32Å; K543-K547 WeakPolarHBondContact O-CB 3.28Å; K543-K547 PolarHBondContact O-N 3.43Å
544A94.3Very high93.2Very high0 Ų065.9 Ų65.90%034%0.335CS..Hα-helixtrans-69.1-42.1174.900000111.7I510 V532 A540 L541 Q542 D546 K547 F548 L555 L557I510-A544 HydrophobicContact CD1-CB 4Å; I510-A544 HydrophobicContact CG1-CB 4.26Å; V532-A544 HydrophobicContact CG1-CB 4.41Å; V532-A544 HydrophobicContact CG2-CB 4.18Å; A540-A544 WeakPolarHBondContact O-CB 3.42Å; A540-A544 PolarHBondContact O-N 2.79Å; L541-A544 WeakPolarHBondContact O-CB 3.5Å; L541-A544 PolarHBondContact O-N 2.9Å; L541-A544 VanDerWaalsContact O-N 3.12Å; Q542-A544 VanDerWaalsContact C-N 3.27Å; Q542-A544 PolarHBondContact O-N 2.98Å; A544-D546 VanDerWaalsContact C-N 3.34Å; A544-D546 PolarHBondContact O-N 3.44Å; A544-K547 PolarHBondContact O-N 2.92Å; A544-F548 PolarHBondContact O-N 3.25Å; A544-L555 HydrophobicContact CB-CD1 3.91Å; A544-L557 HydrophobicContact CB-CD2 4.12Å
545C94Very high93Very high13 Ų1366.4 Ų66.49%0.08834%0.338CS..Hα-helixtrans-56.6-48.6173.4-65.30000111L541 Q542 N549 C550 L555L541-C545 PolarHBondContact O-N 2.61Å; L541-C545 PolarHBondContact O-SG 2.67Å; Q542-C545 WeakPolarHBondContact O-CB 3.26Å; Q542-C545 PolarHBondContact O-N 3.31Å; C545-N549 WeakPolarHBondContact O-CA 3.35Å; C545-N549 PolarHBondContact O-N 3.35Å; C545-C550 VanDerWaalsContact CA-O 3.32Å; C545-C550 WeakPolarHBondContact CA-O 3.42Å; C545-C550 WeakPolarHBondContact CB-O 3.47Å; C545-C550 PolarHBondContact O-N 3.42Å; C545-C550 PolarHBondContact SG-O 3.44Å; C545-C550 VanDerWaalsContact SG-O 3.4Å; C545-L555 HydrophobicContact CB-CD1 4.42Å
546D93.3Very high92.8Very high114 Ų11467.4 Ų67.461%0.6135%0.345SS*.Hα-helixtrans-65.6-40.4-179.3-60.2-21.2000111.6Q542 A544Q542-D546 PolarHBondContact NE2-OD1 2.93Å; Q542-D546 PolarHBondContact O-N 2.95Å; A544-D546 VanDerWaalsContact C-N 3.34Å; A544-D546 PolarHBondContact O-N 3.44Å
547K92.8Very high92.8Very high87 Ų8765.4 Ų65.438%0.37833%0.332SS..Hα-helixtrans-70.6-38.2-178.2-175.2175.8-175.3-176.50113.3N529 W531 V532 K543 A544N529-K547 WeakPolarHBondContact O-CE 3.33Å; N529-K547 PolarHBondContact O-NZ 3.27Å; W531-K547 PolarHBondContact O-NZ 3.29Å; V532-K547 HydrophobicContact CG1-CD 4.11Å; K543-K547 WeakPolarHBondContact O-CB 3.28Å; K543-K547 PolarHBondContact O-N 3.43Å; A544-K547 PolarHBondContact O-N 2.92Å
548F90.3Very high92.8Very high68 Ų6868.1 Ų68.130%0.29834%0.341SS..Hα-helixtrans-106.31.1-175.8-71.3-85.7000113.9I510 I512 L523 A544 C550I510-F548 HydrophobicContact CD1-CD2 3.97Å; I510-F548 HydrophobicContact CD1-CE2 3.35Å; I510-F548 HydrophobicContact CD1-CZ 4.25Å; I510-F548 HydrophobicContact CG2-CD2 4.47Å; I510-F548 HydrophobicContact CG2-CE2 4.39Å; I512-F548 HydrophobicContact CD1-CB 4.24Å; I512-F548 HydrophobicContact CD1-CD1 3.43Å; I512-F548 VanDerWaalsContact CD1-CD1 3.43Å; I512-F548 HydrophobicContact CD1-CE1 3.85Å; I512-F548 HydrophobicContact CD1-CG 3.81Å; L523-F548 HydrophobicContact CD1-CE1 3.79Å; L523-F548 HydrophobicContact CD1-CE2 4.3Å; L523-F548 HydrophobicContact CD1-CZ 3.51Å; A544-F548 PolarHBondContact O-N 3.25Å; F548-C550 HydrophobicContact CB-CB 4.26Å; F548-C550 PolarHBondContact O-N 2.89Å
549N89Confident92.9Very high156 Ų15664.4 Ų64.483%0.83432%0.323SS*.THydrogen-bonded Turntrans47.947.9-175.7-165.334.7000111.9C545C545-N549 WeakPolarHBondContact O-CA 3.35Å; C545-N549 PolarHBondContact O-N 3.35Å
550C87.5Confident92.8Very high18 Ų1862.1 Ų62.112%0.12231%0.313CS..  trans-128135.8-172.2-164.50000109.3C545 F548 N554 L555C545-C550 VanDerWaalsContact CA-O 3.32Å; C545-C550 WeakPolarHBondContact CA-O 3.42Å; C545-C550 WeakPolarHBondContact CB-O 3.47Å; C545-C550 PolarHBondContact O-N 3.42Å; C545-C550 PolarHBondContact SG-O 3.44Å; C545-C550 VanDerWaalsContact SG-O 3.4Å; F548-C550 HydrophobicContact CB-CB 4.26Å; F548-C550 PolarHBondContact O-N 2.89Å; C550-N554 WeakPolarHBondContact SG-CB 3.4Å; C550-L555 HydrophobicContact CB-CD1 4.24Å; C550-L555 HydrophobicContact CB-CD2 4.09Å; C550-L555 HydrophobicContact CB-CG 4.19Å
551P88.6Confident92.7Very high54 Ų5466 Ų6635%0.35133%0.334SS..  trans-69.4152.7179.631.7-37.5000111.4E553 N554P551-E553 VanDerWaalsContact C-N 3.26Å; P551-E553 HydrophobicContact CB-CG 4.39Å; P551-E553 WeakPolarHBondContact CB-OE1 3.31Å; P551-E553 HydrophobicContact CG-CG 4.39Å; P551-E553 PolarHBondContact O-N 3.08Å; P551-N554 HydrophobicContact CG-CB 4.29Å; P551-N554 PolarHBondContact O-N 2.97Å
552P89.9Confident92.7Very high64 Ų6464.6 Ų64.642%0.41633%0.326SS..G310 helixtrans-60.4-31.6-170.922.5-32.7000113.7L541 N554 L555L541-P552 HydrophobicContact CD1-CB 4.28Å; L541-P552 HydrophobicContact CD2-CB 3.78Å; L541-P552 HydrophobicContact CG-CB 4.05Å; P552-N554 PolarHBondContact O-N 3.5Å; P552-L555 PolarHBondContact O-N 3.11Å; P552-L555 VanDerWaalsContact O-N 3.16Å
553E89.5Confident92.8Very high147 Ų14759.4 Ų59.469%0.68730%0.302SS*.G310 helixtrans-63.2-20.8176.257.6-91.7-155.200114.2P551P551-E553 VanDerWaalsContact C-N 3.26Å; P551-E553 HydrophobicContact CB-CG 4.39Å; P551-E553 WeakPolarHBondContact CB-OE1 3.31Å; P551-E553 HydrophobicContact CG-CG 4.39Å; P551-E553 PolarHBondContact O-N 3.08Å
554N90.6Very high92.8Very high44 Ų4456.8 Ų56.824%0.23529%0.291CS..G310 helixtrans-98.15.4179.3-71.1-9.7000112.6Q513 C550 P551 P552Q513-N554 HydrophobicContact CB-CB 4.24Å; Q513-N554 PolarHBondContact N-O 3.21Å; Q513-N554 WeakPolarHBondContact O-CB 3.25Å; C550-N554 WeakPolarHBondContact SG-CB 3.4Å; P551-N554 HydrophobicContact CG-CB 4.29Å; P551-N554 PolarHBondContact O-N 2.97Å; P552-N554 PolarHBondContact O-N 3.5Å
555L92.3Very high92.9Very high12 Ų1257.1 Ų57.16%0.06329%0.293CS..EExtended strand (participates in β ladder)trans-118.6130.4-178.1-65.9175.3000110.6I510 I512 L541 A544 C545 C550 P552I510-L555 HydrophobicContact CG2-CD2 4.01Å; I512-L555 HydrophobicContact CB-CD2 4.32Å; I512-L555 HydrophobicContact CG1-CD2 3.82Å; I512-L555 HydrophobicContact CG2-CD2 4.24Å; L541-L555 HydrophobicContact CD1-CB 3.84Å; L541-L555 HydrophobicContact CD1-CD1 4.3Å; A544-L555 HydrophobicContact CB-CD1 3.91Å; C545-L555 HydrophobicContact CB-CD1 4.42Å; C550-L555 HydrophobicContact CB-CD1 4.24Å; C550-L555 HydrophobicContact CB-CD2 4.09Å; C550-L555 HydrophobicContact CB-CG 4.19Å; P552-L555 PolarHBondContact O-N 3.11Å; P552-L555 VanDerWaalsContact O-N 3.16Å
556I93.3Very high92.9Very high95 Ų9557.5 Ų57.549%0.48730%0.295SS..EExtended strand (participates in β ladder)trans-115.3117.6171.5-59.7-178.4000108S511 L520S511-I556 PolarHBondContact N-O 3.24Å; S511-I556 PolarHBondContact O-N 3.14Å; L520-I556 HydrophobicContact CD1-CD1 3.88Å; L520-I556 HydrophobicContact CD1-CG1 4.16Å; L520-I556 HydrophobicContact CD2-CB 4.48Å; L520-I556 HydrophobicContact CD2-CD1 3.83Å
557L95.3Very high92.9Very high22 Ų2254.8 Ų54.812%0.11528%0.276CS..EExtended strand (participates in β ladder)trans-100.8135.3177.2-63.9-163.3000111.6Y508 H509 I510 V532 I537 A540 L541 A544Y508-L557 HydrophobicContact CD1-CB 4.37Å; H509-L557 WeakPolarHBondContact O-CA 3.2Å; I510-L557 HydrophobicContact CB-CD2 4.16Å; I510-L557 HydrophobicContact CG1-CD2 3.6Å; I510-L557 HydrophobicContact CG2-CD2 4.35Å; V532-L557 HydrophobicContact CG2-CD1 4.37Å; I537-L557 HydrophobicContact CD1-CB 4.49Å; I537-L557 HydrophobicContact CG1-CB 4.43Å; A540-L557 HydrophobicContact CB-CD1 3.81Å; L541-L557 HydrophobicContact CB-CD1 4.02Å; L541-L557 HydrophobicContact CD1-CD1 4.35Å; L541-L557 HydrophobicContact CD1-CG 4.25Å; L541-L557 VanDerWaalsContact N-CD1 3.34Å; A544-L557 HydrophobicContact CB-CD2 4.12Å
558K95Very high93.1Very high134 Ų13450.6 Ų50.658%0.58326%0.258SS*.EExtended strand (participates in β ladder)trans-126.7117172.8-172.5177-179.1178.40110.2Y508 H509Y508-K558 CarbonylContact C-O 3.46Å; Y508-K558 WeakPolarHBondContact CA-O 3.33Å; H509-K558 PolarHBondContact N-O 2.9Å; H509-K558 PolarHBondContact O-N 3.26Å
559Q96.4Very high93.5Very high49 Ų4947.4 Ų47.423%0.22924%0.244CC..EExtended strand (participates in β ladder)trans-59.7140.5175.7-170.5-174.917.100110.6R504 I505 A507 Y508 N561R504-Q559 VanDerWaalsContact CZ-OE1 3.27Å; R504-Q559 PolarHBondContact NH2-O 2.98Å; I505-Q559 WeakPolarHBondContact O-CG 3.25Å; I505-Q559 PolarHBondContact O-NE2 2.99Å; A507-Q559 CarbonylContact O-C 3.45Å; A507-Q559 WeakPolarHBondContact O-CA 3.5Å; Y508-Q559 HydrophobicContact CD1-CB 3.82Å; Y508-Q559 HydrophobicContact CD1-CG 4.42Å; Y508-Q559 HydrophobicContact CE1-CB 3.7Å; Y508-Q559 HydrophobicContact CE1-CG 4.11Å; Q559-N561 PolarHBondContact O-N 3.32Å
560D95.5Very high93.8Very high11 Ų1140.1 Ų40.16%0.05921%0.205CC..  trans-53.5135173.8-156.1-27.6000110.5R238 W452 R504 I505 A507 W531 D562R238-D560 IonicContact CZ-OD2 3.94Å; R238-D560 IonicContact NH1-OD2 3.36Å; R238-D560 PolarHBondContact NH1-OD2 2.88Å; R238-D560 IonicContact NH2-OD2 3.49Å; W452-D560 PolarHBondContact NE1-OD2 2.94Å; R504-D560 PolarHBondContact NE-O 3.39Å; R504-D560 PolarHBondContact NH2-O 2.93Å; I505-D560 HydrophobicContact CB-CB 4.19Å; A507-D560 PolarHBondContact O-N 2.71Å; W531-D560 HydrophobicContact CH2-CB 4.19Å; W531-D560 HydrophobicContact CZ3-CB 3.7Å; D560-D562 VanDerWaalsContact C-N 3.3Å; D560-D562 PolarHBondContact OD1-N 3.32Å; D560-D562 VanDerWaalsContact OD1-N 3.13Å
561N93.3Very high94.2Very high81 Ų8139.4 Ų39.443%0.43320%0.2SC..SBendtrans-80.5-19.6-179.1-83.4-30000112.2R177 R504 Q559R177-N561 PolarHBondContact NH1-O 3.49Å; R504-N561 PolarHBondContact NH2-OD1 3Å; Q559-N561 PolarHBondContact O-N 3.32Å
562D95.5Very high94.7Very high18 Ų1836.9 Ų36.910%0.09618%0.183CC..  trans-65.9154.4177.7-68.9-12.3000111.4R497 Q498 I505 D560R497-D562 WeakPolarHBondContact O-CA 3.48Å; Q498-D562 WeakPolarHBondContact CG-OD1 3.3Å; Q498-D562 PolarHBondContact NE2-OD1 3.2Å; Q498-D562 PolarHBondContact NE2-OD2 3.45Å; I505-D562 HydrophobicContact CD1-CB 3.82Å; I505-D562 PolarHBondContact N-O 2.8Å; I505-D562 VanDerWaalsContact N-O 3.16Å; D560-D562 VanDerWaalsContact C-N 3.3Å; D560-D562 PolarHBondContact OD1-N 3.32Å; D560-D562 VanDerWaalsContact OD1-N 3.13Å
563V96.3Very high95.1Very high1 Ų133.8 Ų33.81%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-111.5156.7172.9-58.30000110.2S496 R497 L499 H503 R504S496-V563 CarbonylContact C-O 3.55Å; S496-V563 WeakPolarHBondContact CA-O 3.34Å; R497-V563 HydrophobicContact CB-CG2 4.15Å; R497-V563 PolarHBondContact N-O 3.28Å; R497-V563 PolarHBondContact O-N 2.71Å; L499-V563 HydrophobicContact CB-CG2 3.67Å; H503-V563 CarbonylContact O-C 3.54Å; H503-V563 WeakPolarHBondContact O-CA 3.12Å; H503-V563 WeakPolarHBondContact O-CB 3.33Å; R504-V563 HydrophobicContact CG-CG1 4.34Å
564L97.1Very high95.4Very high4 Ų427 Ų272%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-69.7146.6174.4-66.8163.8000110.6V223 F227 I495 H503 I505 F568V223-L564 HydrophobicContact CG1-CD1 3.46Å; V223-L564 VanDerWaalsContact CG1-CD1 3.46Å; F227-L564 HydrophobicContact CD2-CD1 4.36Å; F227-L564 HydrophobicContact CD2-CD2 3.79Å; F227-L564 HydrophobicContact CE2-CD2 3.87Å; I495-L564 HydrophobicContact CB-CD2 4.48Å; I495-L564 HydrophobicContact CD1-CD2 4.17Å; I495-L564 HydrophobicContact CG1-CD2 4.48Å; I495-L564 CarbonylContact O-C 3.51Å; I495-L564 VanDerWaalsContact O-CA 3.24Å; I495-L564 WeakPolarHBondContact O-CA 3.37Å; H503-L564 HydrophobicContact CB-CB 4.4Å; H503-L564 HydrophobicContact CB-CD1 4.1Å; H503-L564 PolarHBondContact O-N 2.92Å; I505-L564 HydrophobicContact CD1-CD2 4.36Å; I505-L564 HydrophobicContact CG1-CD2 3.83Å; I505-L564 HydrophobicContact CG1-CG 3.88Å; L564-F568 HydrophobicContact CB-CB 4.27Å; L564-F568 HydrophobicContact CB-CD1 4.37Å; L564-F568 HydrophobicContact CB-CG 4.5Å; L564-F568 HydrophobicContact CD1-CD1 3.66Å; L564-F568 HydrophobicContact CD1-CE1 3.88Å; L564-F568 HydrophobicContact CD1-CG 4.46Å; L564-F568 HydrophobicContact CD2-CD1 4.23Å; L564-F568 HydrophobicContact CD2-CG 4.31Å; L564-F568 HydrophobicContact CG-CD1 4.3Å
565D94.4Very high95.8Very high8 Ų824.9 Ų24.94%0.04312%0.121CC..  trans-55.4138.1167.7-178.492.1000109.6W493 I495 R497 W567 F568W493-D565 HydrophobicContact CZ2-CB 4Å; W493-D565 WeakPolarHBondContact CZ2-OD2 3.47Å; I495-D565 PolarHBondContact O-N 2.86Å; R497-D565 HydrophobicContact CG-CB 4.45Å; R497-D565 IonicContact CZ-OD1 3.91Å; R497-D565 VanDerWaalsContact CZ-OD1 3.23Å; R497-D565 IonicContact NE-OD1 3.95Å; R497-D565 PolarHBondContact NE-OD1 2.77Å; R497-D565 IonicContact NH2-OD1 3.72Å; R497-D565 PolarHBondContact NH2-OD1 3.16Å; D565-W567 PolarHBondContact O-N 2.9Å; D565-W567 WeakPolarHBondContact OD2-CB 3.24Å; D565-W567 PolarHBondContact OD2-N 2.7Å; D565-F568 VanDerWaalsContact O-CB 3.24Å; D565-F568 WeakPolarHBondContact O-CB 3.45Å; D565-F568 PolarHBondContact O-N 3.12Å
566T94Very high96Very high21 Ų2124.4 Ų24.413%0.12912%0.118CC..Hα-helixtrans-53.5-37.2-173.1-159.70000112.2D150 H151 A152 G153 F568 S569 S570D150-T566 PolarHBondContact OD2-OG1 3.23Å; H151-T566 PolarHBondContact CE1-OG1 3.04Å; H151-T566 PolarHBondContact NE2-OG1 3.44Å; A152-T566 VanDerWaalsContact CA-OG1 3.28Å; A152-T566 WeakPolarHBondContact CA-OG1 3.42Å; A152-T566 PolarHBondContact N-OG1 3.24Å; G153-T566 PolarHBondContact N-OG1 3.38Å; T566-F568 PolarHBondContact O-N 3.41Å; T566-S569 PolarHBondContact O-N 3.18Å; T566-S569 PolarHBondContact O-OG 3.42Å; T566-S570 PolarHBondContact O-N 2.94Å; T566-S570 VanDerWaalsContact O-N 3.12Å; T566-S570 PolarHBondContact O-OG 3.07Å
567W95Very high96.2Very high56 Ų5620.1 Ų20.121%0.21210%0.097CC..Hα-helixtrans-69.9-19.1-178.2-60.6107.3000113W493 D565 S569 Q571 I602 F605 W606W493-W567 HydrophobicContact CH2-CB 3.98Å; W493-W567 HydrophobicContact CZ2-CB 3.87Å; D565-W567 PolarHBondContact O-N 2.9Å; D565-W567 WeakPolarHBondContact OD2-CB 3.24Å; D565-W567 PolarHBondContact OD2-N 2.7Å; W567-S569 VanDerWaalsContact C-N 3.33Å; W567-Q571 WeakPolarHBondContact O-CB 3.2Å; W567-Q571 VanDerWaalsContact O-CG 3.28Å; W567-Q571 WeakPolarHBondContact O-CG 3.21Å; W567-Q571 PolarHBondContact O-N 2.92Å; W567-I602 HydrophobicContact CH2-CB 4.34Å; W567-I602 HydrophobicContact CH2-CG2 4.14Å; W567-F605 HydrophobicContact CD2-CB 4Å; W567-F605 HydrophobicContact CE3-CB 4.37Å; W567-F605 HydrophobicContact CH2-CB 4.2Å; W567-F605 HydrophobicContact CZ2-CB 3.81Å; W567-F605 HydrophobicContact CZ3-CB 4.48Å; W567-W606 HydrophobicContact CE3-CB 3.91Å; W567-W606 AromaticContact CE3-CD1 3.82Å; W567-W606 HydrophobicContact CE3-CG 4.04Å; W567-W606 HydrophobicContact CH2-CB 4.36Å; W567-W606 HydrophobicContact CZ3-CB 3.5Å; W567-W606 AromaticContact CZ3-CD1 3.87Å; W567-W606 AromaticContact CZ3-CG 3.68Å; W567-W606 HydrophobicContact CZ3-CG 3.68Å
568F97.3Very high96.3Very high0 Ų019.3 Ų19.30%09%0.092CC..Hα-helixtrans-67.2-36.8177.7-174.9-84.7000111.6V223 A226 F227 L230 I236 W493 I495 L564 D565 T566 Q571V223-F568 HydrophobicContact CG1-CD1 4.06Å; V223-F568 HydrophobicContact CG1-CE1 4.09Å; A226-F568 HydrophobicContact CB-CE1 4.47Å; F227-F568 HydrophobicContact CB-CE1 4.24Å; F227-F568 HydrophobicContact CB-CZ 4.1Å; F227-F568 HydrophobicContact CD2-CE1 4.47Å; F227-F568 HydrophobicContact CD2-CZ 4.13Å; L230-F568 HydrophobicContact CD1-CE2 3.99Å; L230-F568 HydrophobicContact CD1-CZ 4.06Å; I236-F568 HydrophobicContact CD1-CE2 4.05Å; I236-F568 HydrophobicContact CD1-CZ 4.14Å; W493-F568 HydrophobicContact CH2-CB 3.93Å; W493-F568 HydrophobicContact CH2-CD2 4.43Å; W493-F568 HydrophobicContact CZ2-CB 4.4Å; W493-F568 HydrophobicContact CZ3-CD2 4.39Å; I495-F568 HydrophobicContact CB-CD2 4.36Å; I495-F568 HydrophobicContact CD1-CD2 4.29Å; I495-F568 HydrophobicContact CD1-CE2 4.15Å; I495-F568 HydrophobicContact CG2-CD2 3.99Å; L564-F568 HydrophobicContact CB-CB 4.27Å; L564-F568 HydrophobicContact CB-CD1 4.37Å; L564-F568 HydrophobicContact CB-CG 4.5Å; L564-F568 HydrophobicContact CD1-CD1 3.66Å; L564-F568 HydrophobicContact CD1-CE1 3.88Å; L564-F568 HydrophobicContact CD1-CG 4.46Å; L564-F568 HydrophobicContact CD2-CD1 4.23Å; L564-F568 HydrophobicContact CD2-CG 4.31Å; L564-F568 HydrophobicContact CG-CD1 4.3Å; D565-F568 VanDerWaalsContact O-CB 3.24Å; D565-F568 WeakPolarHBondContact O-CB 3.45Å; D565-F568 PolarHBondContact O-N 3.12Å; T566-F568 PolarHBondContact O-N 3.41Å; F568-Q571 WeakPolarHBondContact O-CG 3.33Å; F568-Q571 PolarHBondContact O-NE2 2.93Å; F568-Q571 VanDerWaalsContact O-NE2 3.08Å
569S96.8Very high96.4Very high0 Ų013.7 Ų13.70%07%0.072CC..Hα-helixtrans-82.2-42.1172.650.10000112H151 V223 H503 T566 W567 Q571 L572H151-S569 PolarHBondContact CE1-OG 2.76Å; V223-S569 VanDerWaalsContact CG2-CB 3.43Å; H503-S569 VanDerWaalsContact CD2-CB 3.44Å; H503-S569 WeakPolarHBondContact CD2-CB 3.2Å; H503-S569 PolarHBondContact CD2-OG 2.85Å; H503-S569 WeakPolarHBondContact NE2-CB 3.49Å; T566-S569 PolarHBondContact O-N 3.18Å; T566-S569 PolarHBondContact O-OG 3.42Å; W567-S569 VanDerWaalsContact C-N 3.33Å; S569-Q571 VanDerWaalsContact C-N 3.27Å; S569-Q571 PolarHBondContact O-N 3.48Å; S569-L572 WeakPolarHBondContact O-CB 3.43Å; S569-L572 PolarHBondContact O-N 2.89Å; S569-L572 VanDerWaalsContact O-N 3.09Å
570S95.5Very high96.5Very high3 Ų311.5 Ų11.52%0.0216%0.062CC..Hα-helixtrans-66.5-27.1-175.7-38.80000112.7D150 T566 L572 F573 W606D150-S570 WeakPolarHBondContact OD1-CB 3.47Å; D150-S570 PolarHBondContact OD1-OG 3.5Å; T566-S570 PolarHBondContact O-N 2.94Å; T566-S570 VanDerWaalsContact O-N 3.12Å; T566-S570 PolarHBondContact O-OG 3.07Å; S570-L572 PolarHBondContact O-N 3.13Å; S570-F573 VanDerWaalsContact O-CB 3.29Å; S570-F573 WeakPolarHBondContact O-CB 3.43Å; S570-F573 PolarHBondContact O-N 3.33Å; S570-W606 PolarHBondContact O-NE1 3.16Å
571Q97.1Very high96.6Very high4 Ų411.8 Ų11.82%0.0197%0.065CC..THydrogen-bonded Turntrans-66-18.517566.4178.8-21.300113.8W567 F568 S569 F573 R609 M610 I613W567-Q571 WeakPolarHBondContact O-CB 3.2Å; W567-Q571 VanDerWaalsContact O-CG 3.28Å; W567-Q571 WeakPolarHBondContact O-CG 3.21Å; W567-Q571 PolarHBondContact O-N 2.92Å; F568-Q571 WeakPolarHBondContact O-CG 3.33Å; F568-Q571 PolarHBondContact O-NE2 2.93Å; F568-Q571 VanDerWaalsContact O-NE2 3.08Å; S569-Q571 VanDerWaalsContact C-N 3.27Å; S569-Q571 PolarHBondContact O-N 3.48Å; Q571-F573 VanDerWaalsContact C-N 3.33Å; Q571-R609 HydrophobicContact CB-CB 3.92Å; Q571-R609 PolarHBondContact OE1-O 3.48Å; Q571-M610 HydrophobicContact CB-CG 4.28Å; Q571-M610 WeakPolarHBondContact O-CG 3.36Å; Q571-I613 HydrophobicContact CB-CG2 4.07Å; Q571-I613 HydrophobicContact CG-CB 4.44Å; Q571-I613 HydrophobicContact CG-CG2 3.97Å; Q571-I613 WeakPolarHBondContact O-CG2 3.4Å
572L98.2Very high96.7Very high0 Ų011.3 Ų11.30%06%0.06CC..THydrogen-bonded Turntrans-83.7-15.6-179.7-52.7179.4000112.1A222 V223 A226 S569 S570 P574 F575 S576 I613 L617A222-L572 HydrophobicContact CB-CD1 4.43Å; V223-L572 HydrophobicContact CB-CD1 4.44Å; V223-L572 HydrophobicContact CG2-CD1 3.92Å; A226-L572 HydrophobicContact CB-CD1 3.73Å; A226-L572 HydrophobicContact CB-CD2 3.98Å; S569-L572 WeakPolarHBondContact O-CB 3.43Å; S569-L572 PolarHBondContact O-N 2.89Å; S569-L572 VanDerWaalsContact O-N 3.09Å; S570-L572 PolarHBondContact O-N 3.13Å; L572-P574 VanDerWaalsContact C-N 3.32Å; L572-P574 VanDerWaalsContact O-N 3.11Å; L572-F575 HydrophobicContact CB-CE2 4.09Å; L572-F575 HydrophobicContact CB-CZ 4.08Å; L572-F575 HydrophobicContact CD2-CE2 3.89Å; L572-F575 HydrophobicContact CD2-CZ 3.53Å; L572-F575 HydrophobicContact CG-CZ 4.42Å; L572-F575 PolarHBondContact O-N 2.87Å; L572-S576 VanDerWaalsContact C-OG 3.26Å; L572-S576 WeakPolarHBondContact O-CB 3.3Å; L572-S576 PolarHBondContact O-N 3.26Å; L572-S576 PolarHBondContact O-OG 3.19Å; L572-I613 HydrophobicContact CD2-CG1 3.75Å; L572-I613 HydrophobicContact CD2-CG2 4.31Å; L572-L617 HydrophobicContact CD2-CD1 4.28Å
573F97.9Very high96.7Very high0 Ų018 Ų180%09%0.09CC..Hα-helixtrans-49.3-39.6-171.6-164.5-117000115V108 I109 P111 R212 M219 S570 Q571 F575 S576 V577 W606V108-F573 HydrophobicContact CB-CD1 3.9Å; V108-F573 HydrophobicContact CB-CE1 3.85Å; V108-F573 HydrophobicContact CG2-CD1 4.02Å; V108-F573 HydrophobicContact CG2-CE1 4.43Å; I109-F573 HydrophobicContact CG2-CE1 4.39Å; I109-F573 WeakPolarHBondContact O-CE1 3.27Å; P111-F573 HydrophobicContact CG-CD1 4.38Å; P111-F573 HydrophobicContact CG-CE1 4.49Å; R212-F573 HydrophobicContact CB-CE2 4.41Å; M219-F573 HydrophobicContact CE-CD2 4.22Å; S570-F573 VanDerWaalsContact O-CB 3.29Å; S570-F573 WeakPolarHBondContact O-CB 3.43Å; S570-F573 PolarHBondContact O-N 3.33Å; Q571-F573 VanDerWaalsContact C-N 3.33Å; F573-F575 PolarHBondContact O-N 3.37Å; F573-S576 WeakPolarHBondContact CA-OG 3.46Å; F573-V577 HydrophobicContact CD2-CB 4.32Å; F573-V577 HydrophobicContact CE2-CB 4.19Å; F573-V577 HydrophobicContact CE2-CG2 3.94Å; F573-V577 HydrophobicContact CZ-CG2 4.2Å; F573-V577 WeakPolarHBondContact O-CB 3.43Å; F573-V577 WeakPolarHBondContact O-CG1 3.48Å; F573-V577 PolarHBondContact O-N 3.24Å; F573-W606 HydrophobicContact CD1-CZ2 4.42Å
574P97.5Very high96.7Very high4 Ų419.7 Ų19.73%0.02610%0.101CC..Hα-helixtrans-60.7-16.4178.8-25.335.4000116.1V108 L572 F578 Y591 M610 P622 F623V108-P574 HydrophobicContact CG2-CG 4.39Å; L572-P574 VanDerWaalsContact C-N 3.32Å; L572-P574 VanDerWaalsContact O-N 3.11Å; P574-F578 WeakPolarHBondContact O-CD2 3.49Å; P574-F578 WeakPolarHBondContact O-CE2 3.29Å; P574-Y591 WeakPolarHBondContact O-CD2 3.4Å; P574-M610 HydrophobicContact CG-CB 4.31Å; P574-M610 HydrophobicContact CG-CG 3.87Å; P574-M610 HydrophobicContact CG-SD 3.25Å; P574-M610 WeakPolarHBondContact CG-SD 3.47Å; P574-P622 HydrophobicContact CB-CB 3.93Å; P574-P622 HydrophobicContact CG-CB 4.28Å; P574-F623 HydrophobicContact CG-CE1 4.38Å
575F97.6Very high96.6Very high0 Ų024.8 Ų24.80%013%0.134CC..Hα-helixtrans-131.5-30.9179.649.9-90.8000113.6L572 F573 V577 F578 W580 L587 Y591 I613 M618L572-F575 HydrophobicContact CB-CE2 4.09Å; L572-F575 HydrophobicContact CB-CZ 4.08Å; L572-F575 HydrophobicContact CD2-CE2 3.89Å; L572-F575 HydrophobicContact CD2-CZ 3.53Å; L572-F575 HydrophobicContact CG-CZ 4.42Å; L572-F575 PolarHBondContact O-N 2.87Å; F573-F575 PolarHBondContact O-N 3.37Å; F575-V577 VanDerWaalsContact C-N 3.26Å; F575-V577 PolarHBondContact O-N 3.37Å; F575-F578 PolarHBondContact O-N 3.47Å; F575-W580 HydrophobicContact CB-CB 4.5Å; F575-W580 HydrophobicContact CD2-CB 3.91Å; F575-W580 AromaticContact CD2-CD2 3.77Å; F575-W580 HydrophobicContact CD2-CD2 3.77Å; F575-W580 AromaticContact CD2-CE3 3.99Å; F575-W580 HydrophobicContact CD2-CE3 3.99Å; F575-W580 AromaticContact CD2-CG 3.7Å; F575-W580 HydrophobicContact CD2-CG 3.7Å; F575-W580 AromaticContact CE2-CD2 3.87Å; F575-W580 HydrophobicContact CE2-CD2 3.87Å; F575-W580 AromaticContact CE2-CE3 3.82Å; F575-W580 HydrophobicContact CE2-CE3 3.82Å; F575-W580 HydrophobicContact CE2-CG 4.29Å; F575-W580 HydrophobicContact CE2-CZ3 4.21Å; F575-W580 WeakPolarHBondContact O-CB 3.19Å; F575-W580 PolarHBondContact O-N 3.26Å; F575-L587 HydrophobicContact CB-CD1 4Å; F575-Y591 HydrophobicContact CB-CD2 3.67Å; F575-Y591 HydrophobicContact CB-CE2 3.74Å; F575-Y591 HydrophobicContact CB-CG 4.19Å; F575-Y591 AromaticContact CD1-CE2 3.9Å; F575-Y591 HydrophobicContact CD1-CE2 3.9Å; F575-Y591 HydrophobicContact CG-CE2 4.26Å; F575-I613 HydrophobicContact CE1-CG2 4.04Å; F575-I613 HydrophobicContact CZ-CG1 4.5Å; F575-I613 HydrophobicContact CZ-CG2 4.08Å; F575-M618 HydrophobicContact CD1-CG 4.26Å; F575-M618 HydrophobicContact CD2-CG 4.32Å; F575-M618 HydrophobicContact CD2-SD 4.24Å; F575-M618 HydrophobicContact CG-CG 4.16Å; F575-M618 HydrophobicContact CG-SD 4.45Å
576S97.9Very high96.6Very high1 Ų126.4 Ų26.41%0.00714%0.143CC..Hα-helixtrans-66.2-30176.2650000112.4M219 L572 F573 F578 G579M219-S576 WeakPolarHBondContact CE-OG 3.24Å; M219-S576 PolarHBondContact SD-OG 2.96Å; L572-S576 VanDerWaalsContact C-OG 3.26Å; L572-S576 WeakPolarHBondContact O-CB 3.3Å; L572-S576 PolarHBondContact O-N 3.26Å; L572-S576 PolarHBondContact O-OG 3.19Å; F573-S576 WeakPolarHBondContact CA-OG 3.46Å; S576-F578 PolarHBondContact O-N 3.31Å; S576-G579 PolarHBondContact O-N 2.94Å
577V97.2Very high96.8Very high5 Ų525.7 Ų25.73%0.0314%0.138CC..THydrogen-bonded Turntrans-63.3-26.4176.478.60000112.2V108 V146 R212 F573 F575 G579V108-V577 HydrophobicContact CG1-CG1 4.24Å; V146-V577 HydrophobicContact CG1-CB 4.46Å; V146-V577 HydrophobicContact CG1-CG1 4.17Å; V146-V577 HydrophobicContact CG1-CG2 3.47Å; V146-V577 VanDerWaalsContact CG1-CG2 3.47Å; R212-V577 HydrophobicContact CB-CG2 4.1Å; R212-V577 HydrophobicContact CG-CG2 3.67Å; F573-V577 HydrophobicContact CD2-CB 4.32Å; F573-V577 HydrophobicContact CE2-CB 4.19Å; F573-V577 HydrophobicContact CE2-CG2 3.94Å; F573-V577 HydrophobicContact CZ-CG2 4.2Å; F573-V577 WeakPolarHBondContact O-CB 3.43Å; F573-V577 WeakPolarHBondContact O-CG1 3.48Å; F573-V577 PolarHBondContact O-N 3.24Å; F575-V577 VanDerWaalsContact C-N 3.26Å; F575-V577 PolarHBondContact O-N 3.37Å; V577-G579 VanDerWaalsContact C-N 3.28Å
578F97.4Very high96.8Very high6 Ų631.8 Ų31.83%0.02617%0.166CC..THydrogen-bonded Turntrans-87.15174.9-54.9-52.2000113V106 V108 L144 V146 P574 F575 S576 T584 D586 L587 Y590V106-F578 HydrophobicContact CG1-CE2 4.44Å; V106-F578 HydrophobicContact CG1-CZ 3.81Å; V108-F578 HydrophobicContact CG1-CZ 4.46Å; L144-F578 HydrophobicContact CD2-CE1 3.69Å; L144-F578 HydrophobicContact CD2-CZ 4.29Å; V146-F578 HydrophobicContact CG2-CE1 3.75Å; V146-F578 HydrophobicContact CG2-CZ 3.97Å; P574-F578 WeakPolarHBondContact O-CD2 3.49Å; P574-F578 WeakPolarHBondContact O-CE2 3.29Å; F575-F578 PolarHBondContact O-N 3.47Å; S576-F578 PolarHBondContact O-N 3.31Å; F578-T584 PolarHBondContact O-OG1 2.86Å; F578-D586 HydrophobicContact CB-CB 4.15Å; F578-D586 HydrophobicContact CD1-CB 4.4Å; F578-L587 HydrophobicContact CB-CB 4.12Å; F578-L587 HydrophobicContact CB-CD1 4.2Å; F578-Y590 HydrophobicContact CD1-CD2 4.27Å; F578-Y590 HydrophobicContact CE1-CD2 4.3Å; F578-Y590 HydrophobicContact CE1-CG 4.39Å
579G96.5Very high96.6Very high16 Ų1633.3 Ų33.317%0.16518%0.178CC..THydrogen-bonded Turntrans93.419.1174.600000114.9S576 V577 E582S576-G579 PolarHBondContact O-N 2.94Å; V577-G579 VanDerWaalsContact C-N 3.28Å; G579-E582 WeakPolarHBondContact O-CA 3.26Å; G579-E582 WeakPolarHBondContact O-CB 3.49Å; G579-E582 PolarHBondContact O-N 3.47Å
580W98.2Very high96.5Very high3 Ų334.3 Ų34.31%0.01118%0.182CC..THydrogen-bonded Turntrans-60139.6163.4-177.192.4000109.6A222 E225 A226 F575 L587 L617 M618A222-W580 HydrophobicContact CB-CE3 3.65Å; A222-W580 HydrophobicContact CB-CZ3 3.81Å; A222-W580 WeakPolarHBondContact CB-O 3.47Å; A222-W580 WeakPolarHBondContact O-CZ3 3.35Å; E225-W580 HydrophobicContact CB-CH2 3.92Å; E225-W580 HydrophobicContact CB-CZ3 4.23Å; E225-W580 HydrophobicContact CG-CH2 3.71Å; E225-W580 HydrophobicContact CG-CZ2 4.02Å; E225-W580 HydrophobicContact CG-CZ3 4.42Å; A226-W580 HydrophobicContact CB-CH2 3.91Å; A226-W580 HydrophobicContact CB-CZ3 4.11Å; F575-W580 HydrophobicContact CB-CB 4.5Å; F575-W580 HydrophobicContact CD2-CB 3.91Å; F575-W580 AromaticContact CD2-CD2 3.77Å; F575-W580 HydrophobicContact CD2-CD2 3.77Å; F575-W580 AromaticContact CD2-CE3 3.99Å; F575-W580 HydrophobicContact CD2-CE3 3.99Å; F575-W580 AromaticContact CD2-CG 3.7Å; F575-W580 HydrophobicContact CD2-CG 3.7Å; F575-W580 AromaticContact CE2-CD2 3.87Å; F575-W580 HydrophobicContact CE2-CD2 3.87Å; F575-W580 AromaticContact CE2-CE3 3.82Å; F575-W580 HydrophobicContact CE2-CE3 3.82Å; F575-W580 HydrophobicContact CE2-CG 4.29Å; F575-W580 HydrophobicContact CE2-CZ3 4.21Å; F575-W580 WeakPolarHBondContact O-CB 3.19Å; F575-W580 PolarHBondContact O-N 3.26Å; W580-L587 HydrophobicContact CB-CD1 4.25Å; W580-L587 HydrophobicContact CB-CD2 4.07Å; W580-L617 HydrophobicContact CH2-CD1 3.85Å; W580-L617 HydrophobicContact CZ2-CB 4.47Å; W580-L617 HydrophobicContact CZ2-CD1 4.06Å; W580-M618 HydrophobicContact CG-SD 4.24Å; W580-M618 PolarHBondContact NE1-SD 3.03Å; W580-M618 VanDerWaalsContact NE1-SD 3.37Å
581P97.4Very high96.5Very high17 Ų1734.9 Ų34.911%0.1118%0.184CC..THydrogen-bonded Turncis-88.2-2.417.137.1-38.4000116.8E225E225-P581 HydrophobicContact CB-CB 4.14Å; E225-P581 HydrophobicContact CB-CG 3.91Å; E225-P581 HydrophobicContact CG-CB 3.65Å; E225-P581 HydrophobicContact CG-CG 3.91Å
582E96.9Very high96.5Very high71 Ų7136.5 Ų36.533%0.33220%0.195SC..SBendtrans-66.9145.6172.4-63.274-167.200111.4K221 G579 T584 L587K221-E582 WeakPolarHBondContact CD-OE1 3.18Å; K221-E582 WeakPolarHBondContact CE-OE1 3.35Å; K221-E582 IonicContact NZ-OE1 3.49Å; K221-E582 PolarHBondContact NZ-OE1 3.36Å; G579-E582 WeakPolarHBondContact O-CA 3.26Å; G579-E582 WeakPolarHBondContact O-CB 3.49Å; G579-E582 PolarHBondContact O-N 3.47Å; E582-T584 HydrophobicContact CB-CG2 3.85Å; E582-T584 PolarHBondContact O-N 2.92Å; E582-L587 WeakPolarHBondContact O-CD2 3.3Å
583Q94.8Very high96.4Very high158 Ų15836.9 Ų36.974%0.73820%0.199SC*.  trans-82.666.8174.3-64.4-62-34.100110.2
584T97Very high96.4Very high36 Ų3638.5 Ų38.522%0.22121%0.21CC..  trans-73.9159.4-176.768.90000112.1F578 E582 D586 L587 K588F578-T584 PolarHBondContact O-OG1 2.86Å; E582-T584 HydrophobicContact CB-CG2 3.85Å; E582-T584 PolarHBondContact O-N 2.92Å; T584-D586 VanDerWaalsContact C-N 3.27Å; T584-D586 PolarHBondContact O-N 3.45Å; T584-L587 PolarHBondContact O-N 3.29Å; T584-L587 VanDerWaalsContact OG1-CB 3.3Å; T584-L587 WeakPolarHBondContact OG1-CB 3.4Å; T584-L587 PolarHBondContact OG1-N 3.49Å; T584-K588 PolarHBondContact O-N 2.85Å
585P94.8Very high96.4Very high111 Ų11138.5 Ų38.572%0.72121%0.21SC*.Hα-helixtrans-56.4-40.5170.3-26.235.7000113K588 A589P585-K588 PolarHBondContact O-N 3.42Å; P585-A589 WeakPolarHBondContact O-CB 3.28Å; P585-A589 PolarHBondContact O-N 3.41Å
586D94.7Very high96.5Very high43 Ų4338.5 Ų38.523%0.2321%0.21CC..Hα-helixtrans-64-42.8178.7-87.915.6000111.9R210 F578 T584 K588 A589 Y590R210-D586 IonicContact CZ-OD1 2.66Å; R210-D586 IonicContact CZ-OD2 3.71Å; R210-D586 IonicContact NE-OD1 3.22Å; R210-D586 IonicContact NE-OD2 2.67Å; R210-D586 PolarHBondContact NE-OD2 3.23Å; R210-D586 IonicContact NH2-OD1 2.74Å; R210-D586 PolarHBondContact NH2-OD1 3.05Å; R210-D586 IonicContact NH2-OD2 3.6Å; R210-D586 PolarHBondContact NH2-OD2 3.02Å; R210-D586 VanDerWaalsContact NH2-OD2 3.17Å; F578-D586 HydrophobicContact CB-CB 4.15Å; F578-D586 HydrophobicContact CD1-CB 4.4Å; T584-D586 VanDerWaalsContact C-N 3.27Å; T584-D586 PolarHBondContact O-N 3.45Å; D586-K588 VanDerWaalsContact C-N 3.33Å; D586-K588 PolarHBondContact O-N 3.11Å; D586-A589 PolarHBondContact O-N 3.09Å; D586-A589 VanDerWaalsContact O-N 3.16Å; D586-Y590 HydrophobicContact CB-CD2 4.08Å; D586-Y590 HydrophobicContact CB-CE2 4.37Å; D586-Y590 WeakPolarHBondContact O-CB 3.45Å; D586-Y590 WeakPolarHBondContact O-CD2 3.45Å; D586-Y590 PolarHBondContact O-N 3.35Å
587L97.2Very high96.4Very high6 Ų638.5 Ų38.53%0.03121%0.21CC..Hα-helixtrans-61.8-44.8178.6-178.465.5000110.6F575 F578 W580 E582 T584 A589 Y591 M618F575-L587 HydrophobicContact CB-CD1 4Å; F578-L587 HydrophobicContact CB-CB 4.12Å; F578-L587 HydrophobicContact CB-CD1 4.2Å; W580-L587 HydrophobicContact CB-CD1 4.25Å; W580-L587 HydrophobicContact CB-CD2 4.07Å; E582-L587 WeakPolarHBondContact O-CD2 3.3Å; T584-L587 PolarHBondContact O-N 3.29Å; T584-L587 VanDerWaalsContact OG1-CB 3.3Å; T584-L587 WeakPolarHBondContact OG1-CB 3.4Å; T584-L587 PolarHBondContact OG1-N 3.49Å; L587-A589 VanDerWaalsContact C-N 3.32Å; L587-A589 PolarHBondContact O-N 2.85Å; L587-Y591 HydrophobicContact CD1-CG 4.28Å; L587-Y591 WeakPolarHBondContact O-CB 3.42Å; L587-Y591 PolarHBondContact O-N 2.98Å; L587-Y591 VanDerWaalsContact O-N 3.15Å; L587-M618 HydrophobicContact CD1-CE 4.1Å; L587-M618 HydrophobicContact CD2-CE 4.3Å; L587-M618 HydrophobicContact CG-CE 4.5Å
588K95.1Very high96.4Very high184 Ų18438.4 Ų38.480%0.821%0.21SC*.Hα-helixtrans-66.1-33.9175.7-174.1178.7179.2-178.50112.5T584 P585 D586T584-K588 PolarHBondContact O-N 2.85Å; P585-K588 PolarHBondContact O-N 3.42Å; D586-K588 VanDerWaalsContact C-N 3.33Å; D586-K588 PolarHBondContact O-N 3.11Å
589A92.7Very high96.2Very high31 Ų3138.4 Ų38.426%0.25621%0.211SC..Hα-helixtrans-80.5-34.8-174.600000113.4K104 P585 D586 L587K104-A589 PolarHBondContact NZ-O 3.41Å; P585-A589 WeakPolarHBondContact O-CB 3.28Å; P585-A589 PolarHBondContact O-N 3.41Å; D586-A589 PolarHBondContact O-N 3.09Å; D586-A589 VanDerWaalsContact O-N 3.16Å; L587-A589 VanDerWaalsContact C-N 3.32Å; L587-A589 PolarHBondContact O-N 2.85Å
590Y94.8Very high95.9Very high22 Ų2239.7 Ų39.79%0.08621%0.213CC..Hα-helixtrans-123.9-8.3-163.9-55.5-55.2000115.2P95 V106 L144 F578 D586 P592P95-Y590 HydrophobicContact CB-CE1 4.02Å; P95-Y590 HydrophobicContact CG-CE1 4.06Å; P95-Y590 HydrophobicContact CG-CE2 4.45Å; P95-Y590 WeakPolarHBondContact CG-OH 3.35Å; V106-Y590 HydrophobicContact CG2-CD1 3.99Å; L144-Y590 HydrophobicContact CD2-CD1 3.77Å; L144-Y590 HydrophobicContact CD2-CD2 3.56Å; L144-Y590 HydrophobicContact CD2-CE1 4.1Å; L144-Y590 HydrophobicContact CD2-CE2 3.91Å; L144-Y590 HydrophobicContact CD2-CG 3.5Å; L144-Y590 VanDerWaalsContact CD2-CG 3.5Å; F578-Y590 HydrophobicContact CD1-CD2 4.27Å; F578-Y590 HydrophobicContact CE1-CD2 4.3Å; F578-Y590 HydrophobicContact CE1-CG 4.39Å; D586-Y590 HydrophobicContact CB-CD2 4.08Å; D586-Y590 HydrophobicContact CB-CE2 4.37Å; D586-Y590 WeakPolarHBondContact O-CB 3.45Å; D586-Y590 WeakPolarHBondContact O-CD2 3.45Å; D586-Y590 PolarHBondContact O-N 3.35Å; Y590-P592 CarbonylContact O-C 3.6Å
591Y96.6Very high95.4Very high15 Ų1542.8 Ų42.86%0.05923%0.229CC..PPolyproline II helixtrans-103.8132.3170.9-174.3-96.6000110.9P574 F575 L587 M618 Q620 P622P574-Y591 WeakPolarHBondContact O-CD2 3.4Å; F575-Y591 HydrophobicContact CB-CD2 3.67Å; F575-Y591 HydrophobicContact CB-CE2 3.74Å; F575-Y591 HydrophobicContact CB-CG 4.19Å; F575-Y591 AromaticContact CD1-CE2 3.9Å; F575-Y591 HydrophobicContact CD1-CE2 3.9Å; F575-Y591 HydrophobicContact CG-CE2 4.26Å; L587-Y591 HydrophobicContact CD1-CG 4.28Å; L587-Y591 WeakPolarHBondContact O-CB 3.42Å; L587-Y591 PolarHBondContact O-N 2.98Å; L587-Y591 VanDerWaalsContact O-N 3.15Å; Y591-M618 HydrophobicContact CD1-CE 3.77Å; Y591-M618 HydrophobicContact CE1-CB 3.59Å; Y591-M618 HydrophobicContact CE1-CE 3.72Å; Y591-M618 HydrophobicContact CE1-CG 3.77Å; Y591-M618 WeakPolarHBondContact OH-CB 3.36Å; Y591-Q620 VanDerWaalsContact CD1-NE2 3.3Å; Y591-Q620 HydrophobicContact CE1-CG 3.67Å; Y591-Q620 VanDerWaalsContact CE1-NE2 3.27Å; Y591-Q620 PolarHBondContact OH-O 2.77Å; Y591-P622 HydrophobicContact CE2-CB 4.04Å
592P96.9Very high95.2Very high37 Ų3743.7 Ų43.724%0.2423%0.233CC..SBendcis-78.3161.33.235.2-40.2000114.4Y590 L621Y590-P592 CarbonylContact O-C 3.6Å; P592-L621 WeakPolarHBondContact CB-O 3.47Å
593G96.3Very high95Very high9 Ų940.6 Ų40.69%0.09322%0.218CC..EExtended strand (participates in β ladder)trans-69.7165.5173.400000113.9P622 F623 H624G593-P622 WeakPolarHBondContact CA-O 3.22Å; G593-P622 PolarHBondContact N-O 3.42Å; G593-F623 VanDerWaalsContact O-CA 3.31Å; G593-F623 WeakPolarHBondContact O-CA 3.25Å; G593-H624 PolarHBondContact O-ND1 2.96Å; G593-H624 VanDerWaalsContact O-ND1 3.12Å
594S97.4Very high94.8Very high33 Ų3334.7 Ų34.723%0.23119%0.191CC..EExtended strand (participates in β ladder)trans-90-48176.1-51.10000111.6K104 F105 V106 T625K104-S594 PolarHBondContact O-OG 2.96Å; F105-S594 WeakPolarHBondContact CA-OG 3.42Å; V106-S594 PolarHBondContact N-OG 2.9Å; V106-S594 PolarHBondContact O-N 3.28Å; S594-T625 PolarHBondContact O-N 3.01Å
595L98.1Very high94.3Very high5 Ų534.1 Ų34.13%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-137.2142.2-174.4177.168.1000110.3F105 V106 M107 I132 T625 F792F105-L595 HydrophobicContact CE2-CB 3.79Å; F105-L595 HydrophobicContact CE2-CD2 4.28Å; F105-L595 HydrophobicContact CZ-CB 3.98Å; F105-L595 HydrophobicContact CZ-CD2 4.01Å; V106-L595 PolarHBondContact O-N 3.32Å; M107-L595 WeakPolarHBondContact CG-O 3.45Å; M107-L595 HydrophobicContact SD-CB 4.49Å; M107-L595 HydrophobicContact SD-CD2 3.91Å; M107-L595 HydrophobicContact SD-CG 4.22Å; I132-L595 HydrophobicContact CD1-CD2 3.75Å; I132-L595 HydrophobicContact CG2-CD2 4Å; L595-T625 CarbonylContact C-O 3.54Å; L595-T625 WeakPolarHBondContact CA-O 3.21Å; L595-T625 HydrophobicContact CD1-CG2 3.7Å; L595-F792 HydrophobicContact CD1-CE1 3.91Å; L595-F792 HydrophobicContact CD1-CZ 4.02Å; L595-F792 HydrophobicContact CD2-CE1 3.8Å; L595-F792 HydrophobicContact CD2-CZ 4.32Å
596L98.3Very high94.3Very high0 Ų029 Ų290%015%0.151CC..EExtended strand (participates in β ladder)trans-112.1123.8156.1-175.681.6000109.4V108 T598 W606 V607 M610 F623 T625 V626 Y627V108-L596 HydrophobicContact CG2-CD1 4.15Å; L596-T598 HydrophobicContact CD2-CG2 4.47Å; L596-W606 HydrophobicContact CD1-CH2 3.94Å; L596-W606 HydrophobicContact CD1-CZ3 3.89Å; L596-V607 HydrophobicContact CD2-CB 4.22Å; L596-V607 HydrophobicContact CD2-CG1 3.96Å; L596-V607 HydrophobicContact CD2-CG2 3.67Å; L596-M610 HydrophobicContact CD1-CE 3.91Å; L596-M610 HydrophobicContact CD1-SD 4.45Å; L596-M610 HydrophobicContact CD2-CE 3.29Å; L596-M610 HydrophobicContact CG-CE 4.24Å; L596-F623 HydrophobicContact CB-CD1 3.74Å; L596-F623 HydrophobicContact CB-CD2 3.92Å; L596-F623 HydrophobicContact CB-CE1 3.8Å; L596-F623 HydrophobicContact CB-CE2 4.02Å; L596-F623 HydrophobicContact CB-CG 3.8Å; L596-F623 HydrophobicContact CB-CZ 3.96Å; L596-F623 HydrophobicContact CD1-CD1 4.44Å; L596-F623 HydrophobicContact CD1-CE1 4.14Å; L596-F623 HydrophobicContact CD2-CE1 3.77Å; L596-F623 HydrophobicContact CD2-CE2 4.15Å; L596-F623 HydrophobicContact CD2-CZ 3.55Å; L596-F623 HydrophobicContact CG-CD1 4.46Å; L596-F623 HydrophobicContact CG-CE1 4.12Å; L596-F623 HydrophobicContact CG-CZ 4.28Å; L596-T625 PolarHBondContact N-O 3.44Å; L596-V626 CarbonylContact O-C 3.57Å; L596-V626 VanDerWaalsContact O-CA 3.31Å; L596-V626 WeakPolarHBondContact O-CA 3.4Å; L596-Y627 PolarHBondContact O-N 3.09Å
597E97.2Very high94.4Very high0 Ų026.9 Ų26.90%014%0.14CC..EExtended strand (participates in β ladder)trans-105.7127.2176.2-161.4-54.5112.100108.1M107 T125 V128 E129 I132 Y627 H629M107-E597 HydrophobicContact SD-CB 3.88Å; T125-E597 WeakPolarHBondContact CG2-OE2 3.27Å; V128-E597 HydrophobicContact CG1-CG 3.75Å; E129-E597 HydrophobicContact CG-CB 3.57Å; E129-E597 HydrophobicContact CG-CG 3.59Å; I132-E597 HydrophobicContact CD1-CG 4.47Å; E597-Y627 WeakPolarHBondContact CA-O 3.48Å; E597-Y627 HydrophobicContact CG-CD1 3.94Å; E597-Y627 VanDerWaalsContact OE1-CD1 3.28Å; E597-Y627 WeakPolarHBondContact OE1-CD1 3.2Å; E597-H629 VanDerWaalsContact CD-ND1 3.26Å; E597-H629 IonicContact OE1-CE1 3.66Å; E597-H629 IonicContact OE1-CG 3.88Å; E597-H629 IonicContact OE1-ND1 3.39Å; E597-H629 PolarHBondContact OE1-ND1 2.97Å; E597-H629 IonicContact OE2-CE1 2.72Å; E597-H629 PolarHBondContact OE2-CE1 3.12Å; E597-H629 IonicContact OE2-ND1 3.92Å; E597-H629 PolarHBondContact OE2-ND1 3.01Å
598T96.1Very high94.4Very high4 Ų426.7 Ų26.73%0.02514%0.139CC..EExtended strand (participates in β ladder)trans-162.9172.7175-161.60000114.1L596 I602 V607 Y627 L628 H629L596-T598 HydrophobicContact CD2-CG2 4.47Å; T598-I602 HydrophobicContact CG2-CG1 4.13Å; T598-I602 VanDerWaalsContact OG1-CD1 3.25Å; T598-I602 WeakPolarHBondContact OG1-CD1 3.43Å; T598-I602 WeakPolarHBondContact OG1-CG1 3.2Å; T598-V607 HydrophobicContact CG2-CG2 3.73Å; T598-Y627 PolarHBondContact N-O 2.98Å; T598-L628 HydrophobicContact CG2-CD2 3.68Å; T598-L628 CarbonylContact O-C 3.51Å; T598-L628 VanDerWaalsContact O-CA 3.24Å; T598-L628 WeakPolarHBondContact O-CA 3.31Å; T598-H629 PolarHBondContact O-N 3.23Å; T598-H629 PolarHBondContact O-ND1 3.24Å
599G92.6Very high94.5Very high5 Ų518.8 Ų18.85%0.05210%0.104CC..EExtended strand (participates in β ladder)trans-70.5140.9170.600000111.9D601 I602 H629G599-D601 PolarHBondContact O-N 2.88Å; G599-D601 VanDerWaalsContact O-N 3.08Å; G599-I602 PolarHBondContact O-N 3.25Å; G599-H629 PolarHBondContact N-CE1 2.96Å; G599-H629 VanDerWaalsContact N-CE1 3.34Å
600H91.6Very high94.7Very high44 Ų4417.3 Ų17.320%0.2049%0.092CC..G310 helixtrans-63-15179.763.7-95.3000115H479 I602 I603 L628 H629 R711H479-H600 WeakPolarHBondContact CE1-CB 3.5Å; H479-H600 AromaticContact CE1-CG 3.81Å; H600-I602 VanDerWaalsContact C-N 3.3Å; H600-I602 PolarHBondContact O-N 3.2Å; H600-I603 WeakPolarHBondContact O-CG2 3.49Å; H600-L628 HydrophobicContact CB-CB 4.13Å; H600-L628 HydrophobicContact CB-CD1 4.4Å; H600-H629 PolarHBondContact ND1-O 3.21Å; H600-R711 PolarHBondContact CE1-O 3.3Å
601D88.4Confident94.9Very high68 Ų6816.2 Ų16.236%0.3649%0.088SC..G310 helixtrans-74.3-18.3-179.461.6-43.4000113.6G599 M631G599-D601 PolarHBondContact O-N 2.88Å; G599-D601 VanDerWaalsContact O-N 3.08Å; D601-M631 HydrophobicContact CB-CE 3.92Å; D601-M631 WeakPolarHBondContact OD1-CE 3.36Å; D601-M631 VanDerWaalsContact OD2-CE 3.27Å; D601-M631 WeakPolarHBondContact OD2-CE 3.41Å
602I91.3Very high95Very high35 Ų3516 Ų1618%0.1799%0.087CC..G310 helixtrans-107.214.4177.469.4172.7000114.3W567 T598 G599 H600 F604 F605 W606W567-I602 HydrophobicContact CH2-CB 4.34Å; W567-I602 HydrophobicContact CH2-CG2 4.14Å; T598-I602 HydrophobicContact CG2-CG1 4.13Å; T598-I602 VanDerWaalsContact OG1-CD1 3.25Å; T598-I602 WeakPolarHBondContact OG1-CD1 3.43Å; T598-I602 WeakPolarHBondContact OG1-CG1 3.2Å; G599-I602 PolarHBondContact O-N 3.25Å; H600-I602 VanDerWaalsContact C-N 3.3Å; H600-I602 PolarHBondContact O-N 3.2Å; I602-F604 PolarHBondContact O-N 3.48Å; I602-F605 PolarHBondContact O-N 3.1Å; I602-W606 HydrophobicContact CB-CB 4.47Å; I602-W606 HydrophobicContact CD1-CB 4.23Å; I602-W606 HydrophobicContact CD1-CD2 4.39Å; I602-W606 HydrophobicContact CD1-CE3 3.73Å; I602-W606 HydrophobicContact CG1-CB 4.45Å; I602-W606 PolarHBondContact O-N 3.27Å
603I93.3Very high95Very high6 Ų614.2 Ų14.23%0.0318%0.076CC..Iπ-helixtrans-53.6-47.1179.7-167.8-178.2000112.7H479 T482 W483 H600 V607 A608 L628H479-I603 HydrophobicContact CB-CD1 4.32Å; T482-I603 HydrophobicContact CG2-CG2 4.38Å; W483-I603 HydrophobicContact CB-CD1 4.35Å; W483-I603 HydrophobicContact CE3-CD1 4.07Å; W483-I603 HydrophobicContact CE3-CG1 3.96Å; W483-I603 HydrophobicContact CZ3-CG1 4.41Å; H600-I603 WeakPolarHBondContact O-CG2 3.49Å; I603-V607 HydrophobicContact CG1-CB 4.45Å; I603-V607 VanDerWaalsContact O-CB 3.28Å; I603-V607 WeakPolarHBondContact O-CB 3.4Å; I603-V607 PolarHBondContact O-N 3Å; I603-A608 PolarHBondContact O-N 2.96Å; I603-L628 HydrophobicContact CB-CD1 4.5Å; I603-L628 HydrophobicContact CD1-CD1 3.67Å; I603-L628 HydrophobicContact CG1-CD1 4.15Å
604F90.3Very high95.1Very high35 Ų3513.8 Ų13.815%0.1547%0.072CC..Iπ-helixtrans-77.2-39.1-179.8178.2-109.5000112.2W486 L487 I602 A608W486-F604 HydrophobicContact CB-CB 4.47Å; W486-F604 HydrophobicContact CB-CD2 3.49Å; W486-F604 VanDerWaalsContact CB-CD2 3.49Å; W486-F604 HydrophobicContact CB-CE2 3.94Å; W486-F604 HydrophobicContact CB-CG 4.15Å; W486-F604 HydrophobicContact CD2-CB 4.13Å; W486-F604 HydrophobicContact CD2-CD1 4.27Å; W486-F604 HydrophobicContact CD2-CD2 4.08Å; W486-F604 AromaticContact CD2-CG 3.89Å; W486-F604 HydrophobicContact CD2-CG 3.89Å; W486-F604 AromaticContact CE3-CD1 3.85Å; W486-F604 HydrophobicContact CE3-CD1 3.85Å; W486-F604 HydrophobicContact CE3-CD2 4.06Å; W486-F604 AromaticContact CE3-CE1 3.96Å; W486-F604 HydrophobicContact CE3-CE1 3.96Å; W486-F604 HydrophobicContact CE3-CE2 4.13Å; W486-F604 AromaticContact CE3-CG 3.89Å; W486-F604 HydrophobicContact CE3-CG 3.89Å; W486-F604 HydrophobicContact CE3-CZ 4.09Å; W486-F604 HydrophobicContact CG-CB 4.08Å; W486-F604 AromaticContact CG-CD2 3.88Å; W486-F604 HydrophobicContact CG-CD2 3.88Å; W486-F604 HydrophobicContact CG-CG 4.02Å; W486-F604 HydrophobicContact CZ3-CD1 4.14Å; W486-F604 HydrophobicContact CZ3-CE1 4.19Å; L487-F604 HydrophobicContact CD2-CD2 4.28Å; L487-F604 HydrophobicContact CD2-CE2 4.06Å; I602-F604 PolarHBondContact O-N 3.48Å; F604-A608 HydrophobicContact CD2-CB 4.47Å
605F87.4Confident95.2Very high24 Ų2413.8 Ų13.811%0.1057%0.069CC..Iπ-helixtrans-79.2-28.3-169.8-53.9-70000113.8I256 W567 I602 R609I256-F605 HydrophobicContact CB-CE1 3.92Å; I256-F605 HydrophobicContact CB-CZ 3.76Å; I256-F605 HydrophobicContact CD1-CD2 3.94Å; I256-F605 HydrophobicContact CD1-CE1 4.03Å; I256-F605 HydrophobicContact CD1-CE2 3.16Å; I256-F605 HydrophobicContact CD1-CZ 3.22Å; I256-F605 HydrophobicContact CG1-CE2 4.38Å; I256-F605 HydrophobicContact CG1-CZ 4.01Å; I256-F605 HydrophobicContact CG2-CD1 4.36Å; I256-F605 HydrophobicContact CG2-CE1 3.77Å; I256-F605 HydrophobicContact CG2-CZ 4.07Å; W567-F605 HydrophobicContact CD2-CB 4Å; W567-F605 HydrophobicContact CE3-CB 4.37Å; W567-F605 HydrophobicContact CH2-CB 4.2Å; W567-F605 HydrophobicContact CZ2-CB 3.81Å; W567-F605 HydrophobicContact CZ3-CB 4.48Å; I602-F605 PolarHBondContact O-N 3.1Å; F605-R609 WeakPolarHBondContact O-CD 3.4Å; F605-R609 WeakPolarHBondContact O-CG 3.34Å; F605-R609 PolarHBondContact O-NH1 3.29Å
606W94.6Very high95.2Very high2 Ų217.3 Ų17.31%0.0088%0.084CC..Iπ-helixtrans-120.7-57.7-177.5-158.236.2000111.6P110 P111 W567 S570 F573 L596 I602 A608 R609 M610P110-W606 VanDerWaalsContact CA-CZ3 3.45Å; P110-W606 HydrophobicContact CB-CE3 4.26Å; P110-W606 HydrophobicContact CB-CH2 3.94Å; P110-W606 HydrophobicContact CB-CZ3 3.49Å; P110-W606 VanDerWaalsContact CB-CZ3 3.49Å; P111-W606 VanDerWaalsContact CD-CZ2 3.49Å; P111-W606 HydrophobicContact CG-CZ2 4.41Å; W567-W606 HydrophobicContact CE3-CB 3.91Å; W567-W606 AromaticContact CE3-CD1 3.82Å; W567-W606 HydrophobicContact CE3-CG 4.04Å; W567-W606 HydrophobicContact CH2-CB 4.36Å; W567-W606 HydrophobicContact CZ3-CB 3.5Å; W567-W606 AromaticContact CZ3-CD1 3.87Å; W567-W606 AromaticContact CZ3-CG 3.68Å; W567-W606 HydrophobicContact CZ3-CG 3.68Å; S570-W606 PolarHBondContact O-NE1 3.16Å; F573-W606 HydrophobicContact CD1-CZ2 4.42Å; L596-W606 HydrophobicContact CD1-CH2 3.94Å; L596-W606 HydrophobicContact CD1-CZ3 3.89Å; I602-W606 HydrophobicContact CB-CB 4.47Å; I602-W606 HydrophobicContact CD1-CB 4.23Å; I602-W606 HydrophobicContact CD1-CD2 4.39Å; I602-W606 HydrophobicContact CD1-CE3 3.73Å; I602-W606 HydrophobicContact CG1-CB 4.45Å; I602-W606 PolarHBondContact O-N 3.27Å; W606-A608 PolarHBondContact O-N 3.39Å; W606-R609 PolarHBondContact O-N 3.25Å; W606-M610 HydrophobicContact CB-CE 4.25Å; W606-M610 HydrophobicContact CD2-CE 3.32Å; W606-M610 HydrophobicContact CD2-SD 4.02Å; W606-M610 VanDerWaalsContact CE2-SD 3.55Å; W606-M610 HydrophobicContact CE3-CE 3.58Å; W606-M610 HydrophobicContact CG-CE 3.64Å; W606-M610 HydrophobicContact CG-SD 4.35Å; W606-M610 HydrophobicContact CH2-CE 4.09Å; W606-M610 HydrophobicContact CH2-SD 4.27Å; W606-M610 HydrophobicContact CZ2-CE 3.95Å; W606-M610 HydrophobicContact CZ2-SD 3.73Å; W606-M610 HydrophobicContact CZ3-CE 3.94Å; W606-M610 WeakPolarHBondContact O-CB 3.35Å; W606-M610 WeakPolarHBondContact O-CG 3.42Å; W606-M610 PolarHBondContact O-N 2.95Å
607V97.3Very high95.2Very high0 Ų018.3 Ų18.30%09%0.089CC..Iπ-helixtrans-60.7-52.5-174.3-170.80000111.3W483 L596 T598 I603 R609 M610 V611 F623 V626W483-V607 HydrophobicContact CZ3-CB 4.38Å; W483-V607 HydrophobicContact CZ3-CG1 4.05Å; L596-V607 HydrophobicContact CD2-CB 4.22Å; L596-V607 HydrophobicContact CD2-CG1 3.96Å; L596-V607 HydrophobicContact CD2-CG2 3.67Å; T598-V607 HydrophobicContact CG2-CG2 3.73Å; I603-V607 HydrophobicContact CG1-CB 4.45Å; I603-V607 VanDerWaalsContact O-CB 3.28Å; I603-V607 WeakPolarHBondContact O-CB 3.4Å; I603-V607 PolarHBondContact O-N 3Å; V607-R609 VanDerWaalsContact C-N 3.28Å; V607-R609 PolarHBondContact O-N 2.98Å; V607-M610 PolarHBondContact O-N 2.98Å; V607-V611 WeakPolarHBondContact O-CG2 3.23Å; V607-V611 PolarHBondContact O-N 3.28Å; V607-F623 HydrophobicContact CG1-CE2 4.08Å; V607-F623 HydrophobicContact CG1-CZ 4.02Å; V607-V626 HydrophobicContact CG1-CB 4.43Å; V607-V626 HydrophobicContact CG1-CG1 3.9Å; V607-V626 HydrophobicContact CG1-CG2 3.65Å; V607-V626 HydrophobicContact CG2-CG1 4.42Å
608A96.6Very high95.2Very high1 Ų120.3 Ų20.31%0.00810%0.099CC..Hα-helixtrans-61.4-39.4179.500000111.9W483 L487 I603 F604 W606 V611 M612W483-A608 HydrophobicContact CE3-CB 4.32Å; W483-A608 HydrophobicContact CH2-CB 3.91Å; W483-A608 HydrophobicContact CZ3-CB 3.66Å; L487-A608 HydrophobicContact CD2-CB 4.07Å; I603-A608 PolarHBondContact O-N 2.96Å; F604-A608 HydrophobicContact CD2-CB 4.47Å; W606-A608 PolarHBondContact O-N 3.39Å; A608-V611 PolarHBondContact O-N 3.02Å; A608-M612 HydrophobicContact CB-CE 4.37Å; A608-M612 WeakPolarHBondContact O-CB 3.46Å; A608-M612 VanDerWaalsContact O-CG 3.24Å; A608-M612 WeakPolarHBondContact O-CG 3.49Å; A608-M612 PolarHBondContact O-N 3Å
609R96.4Very high95.3Very high18 Ų1823.1 Ų23.17%0.06813%0.129CC..Hα-helixtrans-66.3-43.1177.6-65-162.7178.1131-13.3112.9W493 Q571 F605 W606 V607 V611 M612 I613W493-R609 VanDerWaalsContact CE2-CZ 3.49Å; W493-R609 VanDerWaalsContact CH2-CD 3.44Å; W493-R609 VanDerWaalsContact CZ2-CZ 3.46Å; W493-R609 VanDerWaalsContact CZ3-CD 3.43Å; W493-R609 HydrophobicContact CZ3-CG 4.47Å; Q571-R609 HydrophobicContact CB-CB 3.92Å; Q571-R609 PolarHBondContact OE1-O 3.48Å; F605-R609 WeakPolarHBondContact O-CD 3.4Å; F605-R609 WeakPolarHBondContact O-CG 3.34Å; F605-R609 PolarHBondContact O-NH1 3.29Å; W606-R609 PolarHBondContact O-N 3.25Å; V607-R609 VanDerWaalsContact C-N 3.28Å; V607-R609 PolarHBondContact O-N 2.98Å; R609-V611 VanDerWaalsContact C-N 3.3Å; R609-V611 PolarHBondContact O-N 2.91Å; R609-M612 HydrophobicContact CB-CE 4.38Å; R609-M612 HydrophobicContact CG-CE 3.87Å; R609-M612 PolarHBondContact O-N 3.49Å; R609-I613 WeakPolarHBondContact O-CB 3.47Å; R609-I613 VanDerWaalsContact O-CG2 3.26Å; R609-I613 WeakPolarHBondContact O-CG2 3.43Å; R609-I613 PolarHBondContact O-N 3.08Å
610M98.2Very high95.5Very high0 Ų026.9 Ų26.90%015%0.145CC..Hα-helixtrans-58.2-43.1173-74.3-174.1-71.800111.5Q571 P574 L596 W606 V607 G614 P622 F623Q571-M610 HydrophobicContact CB-CG 4.28Å; Q571-M610 WeakPolarHBondContact O-CG 3.36Å; P574-M610 HydrophobicContact CG-CB 4.31Å; P574-M610 HydrophobicContact CG-CG 3.87Å; P574-M610 HydrophobicContact CG-SD 3.25Å; P574-M610 WeakPolarHBondContact CG-SD 3.47Å; L596-M610 HydrophobicContact CD1-CE 3.91Å; L596-M610 HydrophobicContact CD1-SD 4.45Å; L596-M610 HydrophobicContact CD2-CE 3.29Å; L596-M610 HydrophobicContact CG-CE 4.24Å; W606-M610 HydrophobicContact CB-CE 4.25Å; W606-M610 HydrophobicContact CD2-CE 3.32Å; W606-M610 HydrophobicContact CD2-SD 4.02Å; W606-M610 VanDerWaalsContact CE2-SD 3.55Å; W606-M610 HydrophobicContact CE3-CE 3.58Å; W606-M610 HydrophobicContact CG-CE 3.64Å; W606-M610 HydrophobicContact CG-SD 4.35Å; W606-M610 HydrophobicContact CH2-CE 4.09Å; W606-M610 HydrophobicContact CH2-SD 4.27Å; W606-M610 HydrophobicContact CZ2-CE 3.95Å; W606-M610 HydrophobicContact CZ2-SD 3.73Å; W606-M610 HydrophobicContact CZ3-CE 3.94Å; W606-M610 WeakPolarHBondContact O-CB 3.35Å; W606-M610 WeakPolarHBondContact O-CG 3.42Å; W606-M610 PolarHBondContact O-N 2.95Å; V607-M610 PolarHBondContact O-N 2.98Å; M610-G614 PolarHBondContact O-N 2.93Å; M610-P622 HydrophobicContact CB-CG 4.28Å; M610-P622 WeakPolarHBondContact O-CG 3.45Å; M610-F623 HydrophobicContact CB-CE1 4.07Å; M610-F623 HydrophobicContact CB-CZ 4.13Å; M610-F623 HydrophobicContact CE-CE1 4.08Å; M610-F623 HydrophobicContact CE-CZ 4.2Å; M610-F623 HydrophobicContact SD-CE1 4.08Å
611V98.5Very high95.8Very high0 Ų025.3 Ų25.30%014%0.138CC..Hα-helixtrans-66.2-49.4178173.10000110.9A463 L472 W483 V607 A608 R609 I613 G614 L615 L621 P622 F623A463-V611 HydrophobicContact CB-CB 4.41Å; A463-V611 HydrophobicContact CB-CG1 3.6Å; L472-V611 HydrophobicContact CD2-CG1 4.11Å; L472-V611 HydrophobicContact CD2-CG2 3.68Å; W483-V611 HydrophobicContact CH2-CB 4.11Å; W483-V611 HydrophobicContact CH2-CG1 4.38Å; W483-V611 HydrophobicContact CH2-CG2 4Å; W483-V611 HydrophobicContact CZ2-CG1 4.42Å; V607-V611 WeakPolarHBondContact O-CG2 3.23Å; V607-V611 PolarHBondContact O-N 3.28Å; A608-V611 PolarHBondContact O-N 3.02Å; R609-V611 VanDerWaalsContact C-N 3.3Å; R609-V611 PolarHBondContact O-N 2.91Å; V611-I613 PolarHBondContact O-N 3.42Å; V611-G614 PolarHBondContact O-N 3.37Å; V611-L615 HydrophobicContact CG1-CD1 3.87Å; V611-L615 HydrophobicContact CG1-CG 4.48Å; V611-L615 WeakPolarHBondContact O-CB 3.44Å; V611-L615 VanDerWaalsContact O-CG 3.25Å; V611-L615 WeakPolarHBondContact O-CG 2.97Å; V611-L615 PolarHBondContact O-N 3.4Å; V611-L621 HydrophobicContact CG1-CD2 3.84Å; V611-P622 HydrophobicContact CG2-CG 4.21Å; V611-F623 HydrophobicContact CG2-CE2 3.89Å; V611-F623 HydrophobicContact CG2-CZ 4.02Å
612M98.2Very high96.3Very high9 Ų922 Ų224%0.04412%0.121CC..Hα-helixtrans-55.1-50.6176.9-76.2-171.6-70.600111.7M459 A460 A463 A608 R609 K616M459-M612 HydrophobicContact CB-CB 3.75Å; M459-M612 HydrophobicContact CB-CG 3.73Å; M459-M612 HydrophobicContact CB-SD 4.02Å; M459-M612 HydrophobicContact SD-CB 4.36Å; A460-M612 HydrophobicContact CB-SD 4.04Å; A463-M612 HydrophobicContact CB-CG 4.11Å; A608-M612 HydrophobicContact CB-CE 4.37Å; A608-M612 WeakPolarHBondContact O-CB 3.46Å; A608-M612 VanDerWaalsContact O-CG 3.24Å; A608-M612 WeakPolarHBondContact O-CG 3.49Å; A608-M612 PolarHBondContact O-N 3Å; R609-M612 HydrophobicContact CB-CE 4.38Å; R609-M612 HydrophobicContact CG-CE 3.87Å; R609-M612 PolarHBondContact O-N 3.49Å; M612-K616 WeakPolarHBondContact O-CB 3.34Å; M612-K616 PolarHBondContact O-N 3.17Å; M612-K616 VanDerWaalsContact O-N 3.08Å
613I98Very high96.6Very high1 Ų120.5 Ų20.51%0.00511%0.113CC..Hα-helixtrans-74.9-34.3-176-159.862.4000112.8L230 Q571 L572 F575 R609 V611 K616 L617L230-I613 HydrophobicContact CD1-CD1 3.76Å; L230-I613 HydrophobicContact CD2-CD1 4.04Å; L230-I613 HydrophobicContact CG-CD1 4.32Å; Q571-I613 HydrophobicContact CB-CG2 4.07Å; Q571-I613 HydrophobicContact CG-CB 4.44Å; Q571-I613 HydrophobicContact CG-CG2 3.97Å; Q571-I613 WeakPolarHBondContact O-CG2 3.4Å; L572-I613 HydrophobicContact CD2-CG1 3.75Å; L572-I613 HydrophobicContact CD2-CG2 4.31Å; F575-I613 HydrophobicContact CE1-CG2 4.04Å; F575-I613 HydrophobicContact CZ-CG1 4.5Å; F575-I613 HydrophobicContact CZ-CG2 4.08Å; R609-I613 WeakPolarHBondContact O-CB 3.47Å; R609-I613 VanDerWaalsContact O-CG2 3.26Å; R609-I613 WeakPolarHBondContact O-CG2 3.43Å; R609-I613 PolarHBondContact O-N 3.08Å; V611-I613 PolarHBondContact O-N 3.42Å; I613-K616 PolarHBondContact O-N 3.1Å; I613-L617 HydrophobicContact CD1-CD1 3.64Å; I613-L617 HydrophobicContact CD1-CG 3.72Å; I613-L617 HydrophobicContact CG1-CD1 3.69Å; I613-L617 HydrophobicContact CG1-CG 4.01Å; I613-L617 WeakPolarHBondContact O-CB 3.45Å; I613-L617 PolarHBondContact O-N 3.3Å
614G98.2Very high96.8Very high0 Ų024.6 Ų24.60%013%0.131CC..Hα-helixtrans-62.4-48.9174.400000111.1M610 V611 K616 M618 G619 Q620M610-G614 PolarHBondContact O-N 2.93Å; V611-G614 PolarHBondContact O-N 3.37Å; G614-K616 VanDerWaalsContact C-N 3.27Å; G614-K616 PolarHBondContact O-N 3.42Å; G614-M618 CarbonylContact O-C 3.47Å; G614-M618 VanDerWaalsContact O-CA 3.32Å; G614-M618 WeakPolarHBondContact O-CA 3.45Å; G614-M618 VanDerWaalsContact O-CB 3.22Å; G614-M618 WeakPolarHBondContact O-CB 3.22Å; G614-M618 PolarHBondContact O-N 2.9Å; G614-G619 PolarHBondContact O-N 3.44Å; G614-Q620 CarbonylContact C-O 3.55Å
615L98.4Very high97.2Very high33 Ų3324 Ų2417%0.17313%0.131CC..Hα-helixtrans-59.8-39.6175.2-68.5169.7000111.6A462 E466 V611 G619 Q620 L621A462-L615 HydrophobicContact CB-CD1 4.11Å; E466-L615 HydrophobicContact CG-CD1 3.78Å; E466-L615 HydrophobicContact CG-CD2 4.04Å; V611-L615 HydrophobicContact CG1-CD1 3.87Å; V611-L615 HydrophobicContact CG1-CG 4.48Å; V611-L615 WeakPolarHBondContact O-CB 3.44Å; V611-L615 VanDerWaalsContact O-CG 3.25Å; V611-L615 WeakPolarHBondContact O-CG 2.97Å; V611-L615 PolarHBondContact O-N 3.4Å; L615-G619 VanDerWaalsContact O-CA 3.24Å; L615-G619 WeakPolarHBondContact O-CA 3.5Å; L615-G619 PolarHBondContact O-N 3.14Å; L615-Q620 PolarHBondContact N-O 3.32Å; L615-L621 HydrophobicContact CD2-CD2 4.22Å; L615-L621 HydrophobicContact CD2-CG 4.31Å; L615-L621 HydrophobicContact CG-CD2 4.44Å
616K98.1Very high97.7Very high78 Ų7822.9 Ų22.934%0.33913%0.126SC..Hα-helixtrans-75.8-47.3-176.9179.660.3-166.7177.60114.1L230 D233 L235 M459 M612 I613 G614L230-K616 HydrophobicContact CD2-CG 3.85Å; D233-K616 WeakPolarHBondContact OD2-CE 3.26Å; D233-K616 IonicContact OD2-NZ 2.64Å; D233-K616 PolarHBondContact OD2-NZ 3.09Å; L235-K616 HydrophobicContact CD1-CD 3.94Å; L235-K616 VanDerWaalsContact CD1-CE 3.44Å; L235-K616 HydrophobicContact CD1-CG 4.19Å; M459-K616 HydrophobicContact CG-CB 4.3Å; M459-K616 HydrophobicContact SD-CB 3.69Å; M459-K616 HydrophobicContact SD-CG 3.89Å; M612-K616 WeakPolarHBondContact O-CB 3.34Å; M612-K616 PolarHBondContact O-N 3.17Å; M612-K616 VanDerWaalsContact O-N 3.08Å; I613-K616 PolarHBondContact O-N 3.1Å; G614-K616 VanDerWaalsContact C-N 3.27Å; G614-K616 PolarHBondContact O-N 3.42Å
617L98.1Very high97.8Very high21 Ų2123.5 Ų23.511%0.1113%0.129CC..Hα-helixtrans-92.6-27.7-174-65.8-174.7000113.6A226 R229 L230 L572 W580 I613A226-L617 HydrophobicContact CB-CD1 3.73Å; R229-L617 HydrophobicContact CB-CD2 4.04Å; L230-L617 HydrophobicContact CD2-CD2 4.22Å; L230-L617 HydrophobicContact CG-CD2 4.37Å; L572-L617 HydrophobicContact CD2-CD1 4.28Å; W580-L617 HydrophobicContact CH2-CD1 3.85Å; W580-L617 HydrophobicContact CZ2-CB 4.47Å; W580-L617 HydrophobicContact CZ2-CD1 4.06Å; I613-L617 HydrophobicContact CD1-CD1 3.64Å; I613-L617 HydrophobicContact CD1-CG 3.72Å; I613-L617 HydrophobicContact CG1-CD1 3.69Å; I613-L617 HydrophobicContact CG1-CG 4.01Å; I613-L617 WeakPolarHBondContact O-CB 3.45Å; I613-L617 PolarHBondContact O-N 3.3Å
618M97.7Very high97.7Very high42 Ų4223.8 Ų23.821%0.20713%0.13CC..Hα-helixtrans-110.3-11.3-177.5-56.8-61.1-65.800113.3F575 W580 L587 Y591 G614 Q620F575-M618 HydrophobicContact CD1-CG 4.26Å; F575-M618 HydrophobicContact CD2-CG 4.32Å; F575-M618 HydrophobicContact CD2-SD 4.24Å; F575-M618 HydrophobicContact CG-CG 4.16Å; F575-M618 HydrophobicContact CG-SD 4.45Å; W580-M618 HydrophobicContact CG-SD 4.24Å; W580-M618 PolarHBondContact NE1-SD 3.03Å; W580-M618 VanDerWaalsContact NE1-SD 3.37Å; L587-M618 HydrophobicContact CD1-CE 4.1Å; L587-M618 HydrophobicContact CD2-CE 4.3Å; L587-M618 HydrophobicContact CG-CE 4.5Å; Y591-M618 HydrophobicContact CD1-CE 3.77Å; Y591-M618 HydrophobicContact CE1-CB 3.59Å; Y591-M618 HydrophobicContact CE1-CE 3.72Å; Y591-M618 HydrophobicContact CE1-CG 3.77Å; Y591-M618 WeakPolarHBondContact OH-CB 3.36Å; G614-M618 CarbonylContact O-C 3.47Å; G614-M618 VanDerWaalsContact O-CA 3.32Å; G614-M618 WeakPolarHBondContact O-CA 3.45Å; G614-M618 VanDerWaalsContact O-CB 3.22Å; G614-M618 WeakPolarHBondContact O-CB 3.22Å; G614-M618 PolarHBondContact O-N 2.9Å; M618-Q620 HydrophobicContact CB-CG 4.42Å; M618-Q620 PolarHBondContact O-N 2.92Å
619G97.5Very high97.6Very high64 Ų6424.3 Ų24.366%0.6613%0.132SC*.SBendtrans72.37.6179.900000114.6G614 L615G614-G619 PolarHBondContact O-N 3.44Å; L615-G619 VanDerWaalsContact O-CA 3.24Å; L615-G619 WeakPolarHBondContact O-CA 3.5Å; L615-G619 PolarHBondContact O-N 3.14Å
620Q97.5Very high97.3Very high83 Ų8323.9 Ų23.939%0.38813%0.133SC..SBendtrans-149.9165.1-177.863.4-176.1-600111.6Y591 G614 L615 M618Y591-Q620 VanDerWaalsContact CD1-NE2 3.3Å; Y591-Q620 HydrophobicContact CE1-CG 3.67Å; Y591-Q620 VanDerWaalsContact CE1-NE2 3.27Å; Y591-Q620 PolarHBondContact OH-O 2.77Å; G614-Q620 CarbonylContact C-O 3.55Å; L615-Q620 PolarHBondContact N-O 3.32Å; M618-Q620 HydrophobicContact CB-CG 4.42Å; M618-Q620 PolarHBondContact O-N 2.92Å
621L98.4Very high97Very high11 Ų1125.3 Ų25.36%0.05814%0.14CC..  trans-63141176.9-77.3171.8000111.2E466 R471 L472 P592 V611 L615 F623E466-L621 HydrophobicContact CB-CD1 4.37Å; E466-L621 HydrophobicContact CB-CD2 3.99Å; E466-L621 HydrophobicContact CG-CD1 4.48Å; E466-L621 HydrophobicContact CG-CD2 3.82Å; E466-L621 HydrophobicContact CG-CG 4.23Å; R471-L621 HydrophobicContact CB-CD1 4.01Å; L472-L621 HydrophobicContact CB-CD1 3.96Å; L472-L621 HydrophobicContact CB-CD2 4.23Å; L472-L621 HydrophobicContact CD2-CD2 4.33Å; P592-L621 WeakPolarHBondContact CB-O 3.47Å; V611-L621 HydrophobicContact CG1-CD2 3.84Å; L615-L621 HydrophobicContact CD2-CD2 4.22Å; L615-L621 HydrophobicContact CD2-CG 4.31Å; L615-L621 HydrophobicContact CG-CD2 4.44Å; L621-F623 VanDerWaalsContact C-N 3.26Å; L621-F623 PolarHBondContact O-N 2.99Å
622P98.1Very high96.7Very high0 Ų025.6 Ų25.60%014%0.141CC..SBendtrans-70.6-23.317431.2-38.3000113.6P574 Y591 G593 M610 V611P574-P622 HydrophobicContact CB-CB 3.93Å; P574-P622 HydrophobicContact CG-CB 4.28Å; Y591-P622 HydrophobicContact CE2-CB 4.04Å; G593-P622 WeakPolarHBondContact CA-O 3.22Å; G593-P622 PolarHBondContact N-O 3.42Å; M610-P622 HydrophobicContact CB-CG 4.28Å; M610-P622 WeakPolarHBondContact O-CG 3.45Å; V611-P622 HydrophobicContact CG2-CG 4.21Å
623F98.1Very high96.4Very high3 Ų328.2 Ų28.21%0.01315%0.151CC..EExtended strand (participates in β ladder)trans-161.6157.4177.539.3-101.9000109.1L472 P574 G593 L596 V607 M610 V611 L621 V626L472-F623 HydrophobicContact CD1-CD2 4.03Å; L472-F623 HydrophobicContact CD1-CE2 4.18Å; L472-F623 WeakPolarHBondContact CD1-O 3.37Å; P574-F623 HydrophobicContact CG-CE1 4.38Å; G593-F623 VanDerWaalsContact O-CA 3.31Å; G593-F623 WeakPolarHBondContact O-CA 3.25Å; L596-F623 HydrophobicContact CB-CD1 3.74Å; L596-F623 HydrophobicContact CB-CD2 3.92Å; L596-F623 HydrophobicContact CB-CE1 3.8Å; L596-F623 HydrophobicContact CB-CE2 4.02Å; L596-F623 HydrophobicContact CB-CG 3.8Å; L596-F623 HydrophobicContact CB-CZ 3.96Å; L596-F623 HydrophobicContact CD1-CD1 4.44Å; L596-F623 HydrophobicContact CD1-CE1 4.14Å; L596-F623 HydrophobicContact CD2-CE1 3.77Å; L596-F623 HydrophobicContact CD2-CE2 4.15Å; L596-F623 HydrophobicContact CD2-CZ 3.55Å; L596-F623 HydrophobicContact CG-CD1 4.46Å; L596-F623 HydrophobicContact CG-CE1 4.12Å; L596-F623 HydrophobicContact CG-CZ 4.28Å; V607-F623 HydrophobicContact CG1-CE2 4.08Å; V607-F623 HydrophobicContact CG1-CZ 4.02Å; M610-F623 HydrophobicContact CB-CE1 4.07Å; M610-F623 HydrophobicContact CB-CZ 4.13Å; M610-F623 HydrophobicContact CE-CE1 4.08Å; M610-F623 HydrophobicContact CE-CZ 4.2Å; M610-F623 HydrophobicContact SD-CE1 4.08Å; V611-F623 HydrophobicContact CG2-CE2 3.89Å; V611-F623 HydrophobicContact CG2-CZ 4.02Å; L621-F623 VanDerWaalsContact C-N 3.26Å; L621-F623 PolarHBondContact O-N 2.99Å; F623-V626 HydrophobicContact CD2-CG2 3.7Å; F623-V626 HydrophobicContact CE2-CG2 3.32Å; F623-V626 HydrophobicContact CZ-CG2 4.34Å
624H97.2Very high96.1Very high91 Ų9129 Ų2942%0.42116%0.155SC..EExtended strand (participates in β ladder)trans-98.6-20.9-174.8-54.888.6000113.3R473 G593R473-H624 PolarHBondContact N-O 3.02Å; G593-H624 PolarHBondContact O-ND1 2.96Å; G593-H624 VanDerWaalsContact O-ND1 3.12Å
625T98.3Very high95.6Very high24 Ų2431.4 Ų31.415%0.14718%0.175CC..EExtended strand (participates in β ladder)trans-129.4138178.7-55.50000110.4R473 I475 S594 L595 L596 F792R473-T625 HydrophobicContact CB-CG2 4.47Å; R473-T625 CarbonylContact O-C 3.58Å; R473-T625 WeakPolarHBondContact O-CA 3.34Å; I475-T625 HydrophobicContact CD1-CG2 3.74Å; I475-T625 HydrophobicContact CG1-CG2 4.32Å; S594-T625 PolarHBondContact O-N 3.01Å; L595-T625 CarbonylContact C-O 3.54Å; L595-T625 WeakPolarHBondContact CA-O 3.21Å; L595-T625 HydrophobicContact CD1-CG2 3.7Å; L596-T625 PolarHBondContact N-O 3.44Å; T625-F792 HydrophobicContact CG2-CZ 4.31Å
626V98.3Very high95.2Very high0 Ų034.7 Ų34.70%019%0.189CC..EExtended strand (participates in β ladder)trans-118120.2169.7-179.30000107.8L472 R473 I474 I475 L596 V607 F623 L628L472-V626 HydrophobicContact CD1-CG2 3.99Å; R473-V626 PolarHBondContact O-N 3.23Å; I474-V626 HydrophobicContact CG1-CB 4.47Å; I475-V626 PolarHBondContact N-O 3.34Å; L596-V626 CarbonylContact O-C 3.57Å; L596-V626 VanDerWaalsContact O-CA 3.31Å; L596-V626 WeakPolarHBondContact O-CA 3.4Å; V607-V626 HydrophobicContact CG1-CB 4.43Å; V607-V626 HydrophobicContact CG1-CG1 3.9Å; V607-V626 HydrophobicContact CG1-CG2 3.65Å; V607-V626 HydrophobicContact CG2-CG1 4.42Å; F623-V626 HydrophobicContact CD2-CG2 3.7Å; F623-V626 HydrophobicContact CE2-CG2 3.32Å; F623-V626 HydrophobicContact CZ-CG2 4.34Å; V626-L628 HydrophobicContact CG1-CD2 3.71Å; V626-L628 HydrophobicContact CG1-CG 3.96Å
627Y97.3Very high94.7Very high15 Ų1532 Ų326%0.05918%0.183CC..EExtended strand (participates in β ladder)trans-104.4127.7169.8177.2-108.7000109.9V128 I475 L596 E597 T598 H629 F792 F794V128-Y627 HydrophobicContact CG1-CD1 4.21Å; V128-Y627 HydrophobicContact CG1-CE1 3.85Å; I475-Y627 HydrophobicContact CB-CD2 4.09Å; I475-Y627 HydrophobicContact CG2-CD2 3.8Å; I475-Y627 HydrophobicContact CG2-CE2 4.27Å; I475-Y627 WeakPolarHBondContact O-CA 3.31Å; L596-Y627 PolarHBondContact O-N 3.09Å; E597-Y627 WeakPolarHBondContact CA-O 3.48Å; E597-Y627 HydrophobicContact CG-CD1 3.94Å; E597-Y627 VanDerWaalsContact OE1-CD1 3.28Å; E597-Y627 WeakPolarHBondContact OE1-CD1 3.2Å; T598-Y627 PolarHBondContact N-O 2.98Å; Y627-H629 HydrophobicContact CE1-CB 3.95Å; Y627-F792 HydrophobicContact CD1-CD1 4.16Å; Y627-F792 HydrophobicContact CD2-CB 3.69Å; Y627-F792 AromaticContact CD2-CD1 3.64Å; Y627-F792 HydrophobicContact CD2-CD1 3.64Å; Y627-F792 AromaticContact CD2-CG 3.84Å; Y627-F792 HydrophobicContact CD2-CG 3.84Å; Y627-F792 HydrophobicContact CE2-CB 3.57Å; Y627-F792 HydrophobicContact CE2-CD1 4.22Å; Y627-F792 HydrophobicContact CE2-CG 4.24Å; Y627-F792 HydrophobicContact CG-CB 4.48Å; Y627-F792 AromaticContact CG-CD1 3.6Å; Y627-F792 HydrophobicContact CG-CD1 3.6Å; Y627-F792 HydrophobicContact CG-CE1 4.17Å; Y627-F792 HydrophobicContact CG-CG 4.29Å; Y627-F794 AromaticContact CE1-CE2 3.8Å; Y627-F794 HydrophobicContact CE1-CE2 3.8Å; Y627-F794 AromaticContact CZ-CE2 3.79Å
628L95.6Very high94.3Very high6 Ų637 Ų373%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-112.9103.1-177.1-61.9176.6000110.8I474 I475 H479 T598 H600 I603 V626I474-L628 HydrophobicContact CG2-CD1 3.98Å; I475-L628 PolarHBondContact O-N 2.78Å; H479-L628 HydrophobicContact CB-CD1 3.75Å; T598-L628 HydrophobicContact CG2-CD2 3.68Å; T598-L628 CarbonylContact O-C 3.51Å; T598-L628 VanDerWaalsContact O-CA 3.24Å; T598-L628 WeakPolarHBondContact O-CA 3.31Å; H600-L628 HydrophobicContact CB-CB 4.13Å; H600-L628 HydrophobicContact CB-CD1 4.4Å; I603-L628 HydrophobicContact CB-CD1 4.5Å; I603-L628 HydrophobicContact CD1-CD1 3.67Å; I603-L628 HydrophobicContact CG1-CD1 4.15Å; V626-L628 HydrophobicContact CG1-CD2 3.71Å; V626-L628 HydrophobicContact CG1-CG 3.96Å
629H93.8Very high93.9Very high12 Ų1240.2 Ų40.26%0.05622%0.217CC..EExtended strand (participates in β ladder)trans-77.9166.9178.668.1-102.4000113.4T125 E597 T598 G599 H600 Y627T125-H629 PolarHBondContact OG1-CE1 2.87Å; T125-H629 PolarHBondContact OG1-NE2 3.37Å; E597-H629 VanDerWaalsContact CD-ND1 3.26Å; E597-H629 IonicContact OE1-CE1 3.66Å; E597-H629 IonicContact OE1-CG 3.88Å; E597-H629 IonicContact OE1-ND1 3.39Å; E597-H629 PolarHBondContact OE1-ND1 2.97Å; E597-H629 IonicContact OE2-CE1 2.72Å; E597-H629 PolarHBondContact OE2-CE1 3.12Å; E597-H629 IonicContact OE2-ND1 3.92Å; E597-H629 PolarHBondContact OE2-ND1 3.01Å; T598-H629 PolarHBondContact O-N 3.23Å; T598-H629 PolarHBondContact O-ND1 3.24Å; G599-H629 PolarHBondContact N-CE1 2.96Å; G599-H629 VanDerWaalsContact N-CE1 3.34Å; H600-H629 PolarHBondContact ND1-O 3.21Å; Y627-H629 HydrophobicContact CE1-CB 3.95Å
630A90.7Very high93.5Very high9 Ų937.9 Ų37.97%0.07419%0.189CC..PPolyproline II helixtrans-76.8146.8-178.400000113.1L124 V632 G710 R711 I713L124-A630 WeakPolarHBondContact CD2-O 3.14Å; A630-V632 PolarHBondContact O-N 3Å; A630-G710 WeakPolarHBondContact CB-O 3.41Å; A630-R711 WeakPolarHBondContact CA-O 3.45Å; A630-I713 HydrophobicContact CB-CD1 3.79Å; A630-I713 HydrophobicContact CB-CG1 3.83Å
631M90.7Very high92.9Very high30 Ų3035.3 Ų35.315%0.14818%0.18CC..EExtended strand (participates in β ladder)trans-75126.2-179.7-178.360.558.200111.4D601 R711 N712 I713D601-M631 HydrophobicContact CB-CE 3.92Å; D601-M631 WeakPolarHBondContact OD1-CE 3.36Å; D601-M631 VanDerWaalsContact OD2-CE 3.27Å; D601-M631 WeakPolarHBondContact OD2-CE 3.41Å; M631-R711 PolarHBondContact N-O 3.04Å; M631-N712 WeakPolarHBondContact O-CA 3.28Å; M631-I713 PolarHBondContact O-N 3.38Å
632V91.9Very high92.1Very high5 Ų539 Ų393%0.0320%0.196CC..EExtended strand (participates in β ladder)trans-77.2132.6175.7-162.60000110.8L124 A630 M640 I713 L715L124-V632 HydrophobicContact CB-CG2 3.79Å; L124-V632 HydrophobicContact CD2-CG2 3.4Å; L124-V632 HydrophobicContact CG-CG2 4.22Å; A630-V632 PolarHBondContact O-N 3Å; V632-M640 HydrophobicContact CB-CE 4.23Å; V632-M640 HydrophobicContact CG1-CE 3.42Å; V632-M640 VanDerWaalsContact CG1-CE 3.42Å; V632-I713 HydrophobicContact CG1-CG2 4.42Å; V632-L715 HydrophobicContact CG1-CB 3.95Å; V632-L715 HydrophobicContact CG1-CD2 4.08Å
633R92.6Very high91.1Very high65 Ų6543 Ų4325%0.24522%0.224CC..EExtended strand (participates in β ladder)trans-123.9159.9177.8-66.1176.3176.9-88.1-7109.8G637 K638 M640 N712 I713 L715R633-G637 VanDerWaalsContact CD-O 3.31Å; R633-G637 WeakPolarHBondContact CD-O 3.48Å; R633-G637 PolarHBondContact NH1-O 2.77Å; R633-K638 VanDerWaalsContact CA-O 3.29Å; R633-K638 WeakPolarHBondContact CA-O 3.24Å; R633-K638 VanDerWaalsContact CB-O 3.28Å; R633-K638 WeakPolarHBondContact CB-O 3.2Å; R633-M640 VanDerWaalsContact C-CE 3.49Å; R633-M640 VanDerWaalsContact O-CE 3.28Å; R633-M640 WeakPolarHBondContact O-CE 3.41Å; R633-N712 PolarHBondContact NE-OD1 3.33Å; R633-N712 PolarHBondContact NH2-OD1 3.2Å; R633-N712 VanDerWaalsContact NH2-OD1 3.11Å; R633-I713 WeakPolarHBondContact CA-O 3.15Å; R633-I713 WeakPolarHBondContact CB-O 3.42Å; R633-I713 PolarHBondContact N-O 3.38Å; R633-L715 PolarHBondContact O-N 3.42Å; R633-L715 VanDerWaalsContact O-N 3.09Å
634D91Very high90.3Very high17 Ų1745.9 Ų45.99%0.09124%0.239CC..  trans-65.2173.3170.968.220.1000111.6H636 G637 K638 N646D634-H636 PolarHBondContact O-N 2.83Å; D634-H636 WeakPolarHBondContact OD1-CA 3.41Å; D634-H636 PolarHBondContact OD1-N 2.88Å; D634-G637 PolarHBondContact O-N 3.17Å; D634-G637 PolarHBondContact OD1-N 3.45Å; D634-K638 PolarHBondContact N-O 2.66Å; D634-K638 PolarHBondContact OD1-N 3.17Å; D634-K638 WeakPolarHBondContact OD2-CB 3.27Å; D634-N646 PolarHBondContact OD2-ND2 3.47Å
635A87.7Confident89.8Confident51 Ų5141.9 Ų41.942%0.42122%0.223SC..THydrogen-bonded Turntrans-58.1-19.1-179.300000113.6L715A635-L715 PolarHBondContact N-O 3.26Å
636H89.8Confident89.4Confident101 Ų10142 Ų4247%0.46822%0.222SC..THydrogen-bonded Turntrans-990.4179.9-52-69.9000113.2D634 D686D634-H636 PolarHBondContact O-N 2.83Å; D634-H636 WeakPolarHBondContact OD1-CA 3.41Å; D634-H636 PolarHBondContact OD1-N 2.88Å; H636-D686 IonicContact CD2-OD2 3.82Å; H636-D686 IonicContact CE1-OD1 3.19Å; H636-D686 PolarHBondContact CE1-OD1 3.34Å; H636-D686 IonicContact CE1-OD2 3.28Å; H636-D686 IonicContact NE2-OD1 3.2Å; H636-D686 PolarHBondContact NE2-OD1 2.89Å; H636-D686 IonicContact NE2-OD2 2.71Å; H636-D686 PolarHBondContact NE2-OD2 3.41Å
637G89.1Confident89.1Confident21 Ų2143.3 Ų43.322%0.21623%0.233CC..SBendtrans82.214179.400000115R633 D634 N714R633-G637 VanDerWaalsContact CD-O 3.31Å; R633-G637 WeakPolarHBondContact CD-O 3.48Å; R633-G637 PolarHBondContact NH1-O 2.77Å; D634-G637 PolarHBondContact O-N 3.17Å; D634-G637 PolarHBondContact OD1-N 3.45Å; G637-N714 WeakPolarHBondContact CA-OD1 3.05Å
638K89.3Confident88.9Confident127 Ų12743.5 Ų43.555%0.55224%0.235SC*.PPolyproline II helixtrans-83.4146.1171.1-55.1-178.2178177.40110.2R633 D634 M640R633-K638 VanDerWaalsContact CA-O 3.29Å; R633-K638 WeakPolarHBondContact CA-O 3.24Å; R633-K638 VanDerWaalsContact CB-O 3.28Å; R633-K638 WeakPolarHBondContact CB-O 3.2Å; D634-K638 PolarHBondContact N-O 2.66Å; D634-K638 PolarHBondContact OD1-N 3.17Å; D634-K638 WeakPolarHBondContact OD2-CB 3.27Å; K638-M640 PolarHBondContact O-N 3.37Å
639K88.8Confident88.8Confident110 Ų11043.5 Ų43.548%0.47824%0.235SC..BIsolated β-bridgetrans-60.6131171.8-175.7174.5-178.3171.70108.2S641 N646K639-S641 PolarHBondContact O-N 3.08Å; K639-N646 PolarHBondContact O-ND2 3.3Å; K639-N646 VanDerWaalsContact O-ND2 3.13Å
640M89.1Confident89Confident14 Ų1442.9 Ų42.97%0.06923%0.232CC..PPolyproline II helixtrans-67.2130.4174.4-71-175.1-146.700109.7L120 V632 R633 K638 N646L120-M640 HydrophobicContact CB-CE 4.12Å; L120-M640 HydrophobicContact CB-SD 4.09Å; L120-M640 HydrophobicContact CD1-CE 4.32Å; V632-M640 HydrophobicContact CB-CE 4.23Å; V632-M640 HydrophobicContact CG1-CE 3.42Å; V632-M640 VanDerWaalsContact CG1-CE 3.42Å; R633-M640 VanDerWaalsContact C-CE 3.49Å; R633-M640 VanDerWaalsContact O-CE 3.28Å; R633-M640 WeakPolarHBondContact O-CE 3.41Å; K638-M640 PolarHBondContact O-N 3.37Å; M640-N646 WeakPolarHBondContact CA-OD1 3.32Å
641S84.6Confident89.2Confident30 Ų3044 Ų4421%0.2124%0.238CC..  trans-152.7146.3173.2710000111.1K639 S643 L644 G645 N646K639-S641 PolarHBondContact O-N 3.08Å; S641-S643 PolarHBondContact O-N 2.9Å; S641-S643 PolarHBondContact OG-OG 2.91Å; S641-S643 VanDerWaalsContact OG-OG 3.12Å; S641-L644 PolarHBondContact O-N 3.21Å; S641-L644 VanDerWaalsContact O-N 3.15Å; S641-L644 WeakPolarHBondContact OG-CB 3.24Å; S641-L644 WeakPolarHBondContact OG-CD1 3.15Å; S641-L644 WeakPolarHBondContact OG-CG 3.45Å; S641-L644 PolarHBondContact OG-N 3.01Å; S641-G645 PolarHBondContact O-N 3.05Å; S641-N646 PolarHBondContact N-OD1 3.27Å; S641-N646 PolarHBondContact O-OD1 3.22Å; S641-N646 VanDerWaalsContact O-OD1 3.14Å
642K82.3Confident89.5Confident87 Ų8743.4 Ų43.438%0.37824%0.235SC..G310 helixtrans-61.1-30.3175-65.3173.3179.3167.30111.7V117 L644 G645 A647V117-K642 WeakPolarHBondContact O-CE 3.21Å; V117-K642 PolarHBondContact O-NZ 3.39Å; K642-L644 VanDerWaalsContact C-N 3.33Å; K642-L644 PolarHBondContact O-N 3.21Å; K642-G645 PolarHBondContact O-N 3.37Å; K642-A647 HydrophobicContact CG-CB 4.32Å
643S76.1Confident89.7Confident86 Ų8643.1 Ų43.160%0.60123%0.234SC*.G310 helixtrans-73.5-16.2177.748.20000114.9S641 L671S641-S643 PolarHBondContact O-N 2.9Å; S641-S643 PolarHBondContact OG-OG 2.91Å; S641-S643 VanDerWaalsContact OG-OG 3.12Å; S643-L671 VanDerWaalsContact C-CD2 3.47Å; S643-L671 WeakPolarHBondContact O-CD2 3.31Å
644L82.8Confident89.9Confident63 Ų6340.2 Ų40.233%0.3322%0.223SC..G310 helixtrans-102-4.4173.6-68.3174.8000112.3S641 K642 N646S641-L644 PolarHBondContact O-N 3.21Å; S641-L644 VanDerWaalsContact O-N 3.15Å; S641-L644 WeakPolarHBondContact OG-CB 3.24Å; S641-L644 WeakPolarHBondContact OG-CD1 3.15Å; S641-L644 WeakPolarHBondContact OG-CG 3.45Å; S641-L644 PolarHBondContact OG-N 3.01Å; K642-L644 VanDerWaalsContact C-N 3.33Å; K642-L644 PolarHBondContact O-N 3.21Å; L644-N646 PolarHBondContact O-N 3.06Å; L644-N646 VanDerWaalsContact O-N 3.14Å
645G85.6Confident90.2Very high7 Ų742.9 Ų42.97%0.07224%0.237CC..THydrogen-bonded Turntrans65.811.7-176.500000114.7S641 K642S641-G645 PolarHBondContact O-N 3.05Å; K642-G645 PolarHBondContact O-N 3.37Å
646N91.2Very high90.5Very high26 Ų2641.5 Ų41.514%0.13923%0.228CC..  trans-102.32.8-179.872.8-21.2000113.6D634 K639 M640 S641 L644D634-N646 PolarHBondContact OD2-ND2 3.47Å; K639-N646 PolarHBondContact O-ND2 3.3Å; K639-N646 VanDerWaalsContact O-ND2 3.13Å; M640-N646 WeakPolarHBondContact CA-OD1 3.32Å; S641-N646 PolarHBondContact N-OD1 3.27Å; S641-N646 PolarHBondContact O-OD1 3.22Å; S641-N646 VanDerWaalsContact O-OD1 3.14Å; L644-N646 PolarHBondContact O-N 3.06Å; L644-N646 VanDerWaalsContact O-N 3.14Å
647A90.8Very high90.9Very high28 Ų2837.7 Ų37.723%0.23121%0.211CC..  trans-75.7126172.700000110H119 K642H119-A647 HydrophobicContact CB-CB 4.29Å; K642-A647 HydrophobicContact CG-CB 4.32Å
648I93.1Very high91.2Very high19 Ų1938.9 Ų38.910%0.09722%0.216CC..  trans-105.4129.3-179.7-61.3171.6000109H119 L120 V653 F687 I691 I717H119-I648 CarbonylContact C-O 3.47Å; H119-I648 WeakPolarHBondContact CA-O 3.25Å; L120-I648 HydrophobicContact CD1-CB 3.79Å; L120-I648 HydrophobicContact CD1-CD1 4.14Å; L120-I648 HydrophobicContact CD1-CG2 3.95Å; L120-I648 HydrophobicContact CG-CB 4.03Å; L120-I648 HydrophobicContact CG-CG2 4.22Å; L120-I648 PolarHBondContact N-O 3.49Å; L120-I648 VanDerWaalsContact N-O 3.15Å; I648-V653 HydrophobicContact CG2-CG2 3.81Å; I648-F687 HydrophobicContact CD1-CE2 3.93Å; I648-F687 HydrophobicContact CD1-CZ 3.69Å; I648-I691 HydrophobicContact CG2-CD1 3.82Å; I648-I717 HydrophobicContact CD1-CD1 4.26Å; I648-I717 HydrophobicContact CD1-CG1 4.16Å
649D94.6Very high91.5Very high5 Ų534.6 Ų34.63%0.02720%0.199CC..  trans-68.9127.2171.9-170.4-31.9000108.9R194 Q198 V651 D652R194-D649 IonicContact NH2-OD2 3.93Å; R194-D649 PolarHBondContact NH2-OD2 2.9Å; R194-D649 VanDerWaalsContact NH2-OD2 3.13Å; Q198-D649 PolarHBondContact NE2-OD1 3.32Å; Q198-D649 PolarHBondContact NE2-OD2 3.46Å; Q198-D649 VanDerWaalsContact NE2-OD2 3.09Å; D649-V651 PolarHBondContact O-N 2.91Å; D649-V651 WeakPolarHBondContact OD1-CB 3.41Å; D649-V651 PolarHBondContact OD1-N 3.24Å; D649-D652 HydrophobicContact CB-CB 4.37Å; D649-D652 WeakPolarHBondContact O-CB 3.42Å; D649-D652 PolarHBondContact O-N 3.38Å; D649-D652 VanDerWaalsContact O-N 3.11Å
650P96.5Very high91.8Very high0 Ų036.6 Ų36.60%021%0.21CC..Hα-helixtrans-57.1-31.3176.121.8-32.7000113.5L118 L120 A123 L202 D652 V653 I654 L699L118-P650 HydrophobicContact CB-CG 4.46Å; L120-P650 HydrophobicContact CD2-CB 4.13Å; A123-P650 HydrophobicContact CB-CB 3.86Å; A123-P650 HydrophobicContact CB-CG 4.34Å; L202-P650 HydrophobicContact CD1-CG 4.45Å; L202-P650 HydrophobicContact CD2-CB 4.17Å; P650-D652 VanDerWaalsContact C-N 3.25Å; P650-D652 PolarHBondContact O-N 3.26Å; P650-V653 PolarHBondContact O-N 3.49Å; P650-V653 VanDerWaalsContact O-N 3.1Å; P650-I654 WeakPolarHBondContact O-CG1 3.48Å; P650-I654 PolarHBondContact O-N 3.27Å; P650-L699 HydrophobicContact CB-CD2 3.93Å
651V96.5Very high92Very high33 Ų3339.7 Ų39.720%0.223%0.227CC..Hα-helixtrans-65-32.1178.9178.70000111.5Q198 A201 D649 V653 I654 N655Q198-V651 HydrophobicContact CB-CG2 4.37Å; Q198-V651 HydrophobicContact CG-CG2 3.84Å; A201-V651 HydrophobicContact CB-CG2 4.38Å; D649-V651 PolarHBondContact O-N 2.91Å; D649-V651 WeakPolarHBondContact OD1-CB 3.41Å; D649-V651 PolarHBondContact OD1-N 3.24Å; V651-V653 VanDerWaalsContact C-N 3.27Å; V651-V653 PolarHBondContact O-N 3.09Å; V651-I654 PolarHBondContact O-N 2.78Å; V651-N655 VanDerWaalsContact CG1-ND2 3.25Å; V651-N655 WeakPolarHBondContact CG1-ND2 3.48Å; V651-N655 WeakPolarHBondContact O-CB 3.45Å; V651-N655 PolarHBondContact O-N 3.23Å
652D95.9Very high92.4Very high16 Ų1638.5 Ų38.59%0.08622%0.218CC..Hα-helixtrans-68.7-27.4176.2-69.3-14.8000112D649 P650 G656 I657 Q665 I691D649-D652 HydrophobicContact CB-CB 4.37Å; D649-D652 WeakPolarHBondContact O-CB 3.42Å; D649-D652 PolarHBondContact O-N 3.38Å; D649-D652 VanDerWaalsContact O-N 3.11Å; P650-D652 VanDerWaalsContact C-N 3.25Å; P650-D652 PolarHBondContact O-N 3.26Å; D652-G656 CarbonylContact O-C 3.5Å; D652-G656 WeakPolarHBondContact O-CA 3.2Å; D652-G656 PolarHBondContact O-N 3.27Å; D652-I657 HydrophobicContact CB-CB 4.17Å; D652-I657 HydrophobicContact CB-CG2 3.7Å; D652-Q665 PolarHBondContact OD1-NE2 3Å; D652-Q665 PolarHBondContact OD2-NE2 2.76Å; D652-Q665 PolarHBondContact OD2-OE1 2.86Å; D652-I691 HydrophobicContact CB-CD1 4.48Å
653V96.7Very high92.9Very high0 Ų036.5 Ų36.50%021%0.21CC..Hα-helixtrans-79.2-37172.7-174.90000111.3L120 I648 P650 V651 I691 C694 L699 I717 V720L120-V653 HydrophobicContact CD2-CG2 4.06Å; I648-V653 HydrophobicContact CG2-CG2 3.81Å; P650-V653 PolarHBondContact O-N 3.49Å; P650-V653 VanDerWaalsContact O-N 3.1Å; V651-V653 VanDerWaalsContact C-N 3.27Å; V651-V653 PolarHBondContact O-N 3.09Å; V653-I691 HydrophobicContact CB-CG2 4.42Å; V653-I691 HydrophobicContact CG2-CG2 4.2Å; V653-C694 HydrophobicContact CG1-CB 4.15Å; V653-C694 WeakPolarHBondContact O-CB 3.41Å; V653-C694 PolarHBondContact O-N 3.36Å; V653-L699 HydrophobicContact CB-CD2 4.4Å; V653-L699 HydrophobicContact CG1-CD1 4.18Å; V653-I717 HydrophobicContact CG1-CG2 4.36Å; V653-I717 HydrophobicContact CG2-CD1 4.05Å; V653-V720 HydrophobicContact CG1-CG1 4.02Å
654I97.2Very high93.7Very high4 Ų438 Ų382%0.02121%0.206CC..Hα-helixtrans-64.7-56.2177.8-66.9165.9000110A201 L202 P650 V651 E693 G695 T696 L699A201-I654 HydrophobicContact CB-CD1 4.46Å; L202-I654 HydrophobicContact CD2-CD1 4.15Å; P650-I654 WeakPolarHBondContact O-CG1 3.48Å; P650-I654 PolarHBondContact O-N 3.27Å; V651-I654 PolarHBondContact O-N 2.78Å; I654-E693 WeakPolarHBondContact O-CG 3.26Å; I654-G695 PolarHBondContact O-N 3.25Å; I654-T696 WeakPolarHBondContact CD1-OG1 3.31Å; I654-T696 WeakPolarHBondContact CG2-OG1 3.47Å; I654-L699 HydrophobicContact CD1-CD2 4.47Å; I654-L699 HydrophobicContact CG1-CD2 4.14Å
655N96Very high93.9Very high72 Ų7238 Ų3839%0.38520%0.204SC..Hα-helixtrans-89.1-16.2-171.8-70.1-36.5000114.3V651V651-N655 VanDerWaalsContact CG1-ND2 3.25Å; V651-N655 WeakPolarHBondContact CG1-ND2 3.48Å; V651-N655 WeakPolarHBondContact O-CB 3.45Å; V651-N655 PolarHBondContact O-N 3.23Å
656G95.5Very high94Very high22 Ų2238.4 Ų38.423%0.22721%0.205CC..  trans75152.6-165.600000112D652 I691D652-G656 CarbonylContact O-C 3.5Å; D652-G656 WeakPolarHBondContact O-CA 3.2Å; D652-G656 PolarHBondContact O-N 3.27Å; G656-I691 VanDerWaalsContact CA-O 3.22Å; G656-I691 WeakPolarHBondContact CA-O 3.41Å
657I96.4Very high93.5Very high21 Ų2142.6 Ų42.611%0.10822%0.223CC..BIsolated β-bridgetrans-146.4140.7176-171.1166.2000110.1D652 D661 L662 G690 I691D652-I657 HydrophobicContact CB-CB 4.17Å; D652-I657 HydrophobicContact CB-CG2 3.7Å; I657-D661 HydrophobicContact CD1-CB 3.84Å; I657-D661 HydrophobicContact CG1-CB 3.59Å; I657-L662 HydrophobicContact CD1-CB 4.25Å; I657-L662 HydrophobicContact CG1-CB 4.31Å; I657-L662 HydrophobicContact CG2-CB 4.12Å; I657-L662 HydrophobicContact CG2-CD1 4.16Å; I657-G690 CarbonylContact O-C 3.57Å; I657-G690 WeakPolarHBondContact O-CA 3.42Å; I657-I691 HydrophobicContact CG2-CB 3.92Å; I657-I691 HydrophobicContact CG2-CD1 4.11Å; I657-I691 HydrophobicContact CG2-CG1 4.2Å; I657-I691 PolarHBondContact N-O 3.39Å; I657-I691 PolarHBondContact O-N 3.33Å
658S96.4Very high92.7Very high47 Ų4747.4 Ų47.433%0.32924%0.241SC..  trans-68156.7174.879.40000110.7E660 D661 L662S658-E660 PolarHBondContact O-N 3.14Å; S658-D661 PolarHBondContact O-N 3.26Å; S658-D661 WeakPolarHBondContact OG-CB 3.28Å; S658-D661 PolarHBondContact OG-N 3.45Å; S658-D661 PolarHBondContact OG-OD2 3.34Å; S658-L662 VanDerWaalsContact O-CB 3.25Å; S658-L662 WeakPolarHBondContact O-CB 3.28Å; S658-L662 PolarHBondContact O-N 3.32Å
659L95.2Very high91.7Very high36 Ų3648.2 Ų48.219%0.18825%0.254CS..Hα-helixtrans-60.5-36.7174.7177.459.9000111.5Q663 Q683 A684L659-Q663 HydrophobicContact CD1-CG 4.03Å; L659-Q663 HydrophobicContact CG-CG 4.47Å; L659-Q663 WeakPolarHBondContact O-CB 3.29Å; L659-Q663 VanDerWaalsContact O-CG 3.29Å; L659-Q663 WeakPolarHBondContact O-CG 3.4Å; L659-Q663 PolarHBondContact O-N 3.04Å; L659-Q683 HydrophobicContact CD1-CB 4.32Å; L659-A684 HydrophobicContact CD2-CB 4.21Å
660E94.6Very high90.5Very high152 Ų15251.7 Ų51.771%0.7127%0.272SS*.Hα-helixtrans-62.8-50.7178.7-176.2179.2172.300111.2S658 L662 Q663 K664S658-E660 PolarHBondContact O-N 3.14Å; E660-L662 VanDerWaalsContact C-N 3.35Å; E660-L662 PolarHBondContact O-N 3.44Å; E660-Q663 PolarHBondContact O-N 3.13Å; E660-K664 WeakPolarHBondContact O-CB 3.31Å; E660-K664 PolarHBondContact O-N 3.48Å
661D95.1Very high89.4Confident79 Ų7953 Ų5342%0.42228%0.279SS..Hα-helixtrans-66.2-38.7179.3-65.6-50.5000111.6I657 S658 Q663 K664 Q665I657-D661 HydrophobicContact CD1-CB 3.84Å; I657-D661 HydrophobicContact CG1-CB 3.59Å; S658-D661 PolarHBondContact O-N 3.26Å; S658-D661 WeakPolarHBondContact OG-CB 3.28Å; S658-D661 PolarHBondContact OG-N 3.45Å; S658-D661 PolarHBondContact OG-OD2 3.34Å; D661-Q663 VanDerWaalsContact C-N 3.33Å; D661-Q663 PolarHBondContact O-N 3.37Å; D661-K664 WeakPolarHBondContact O-CB 3.42Å; D661-K664 PolarHBondContact O-N 3.23Å; D661-Q665 WeakPolarHBondContact O-CG 3.22Å; D661-Q665 PolarHBondContact O-N 2.9Å
662L92.6Very high88.4Confident5 Ų555 Ų553%0.02629%0.289CS..Hα-helixtrans-61.4-41.4175.4-177.865.4000111.5I657 S658 E660 Q665 Q683 F687 I691I657-L662 HydrophobicContact CD1-CB 4.25Å; I657-L662 HydrophobicContact CG1-CB 4.31Å; I657-L662 HydrophobicContact CG2-CB 4.12Å; I657-L662 HydrophobicContact CG2-CD1 4.16Å; S658-L662 VanDerWaalsContact O-CB 3.25Å; S658-L662 WeakPolarHBondContact O-CB 3.28Å; S658-L662 PolarHBondContact O-N 3.32Å; E660-L662 VanDerWaalsContact C-N 3.35Å; E660-L662 PolarHBondContact O-N 3.44Å; L662-Q665 PolarHBondContact O-N 3.19Å; L662-Q683 HydrophobicContact CD2-CB 4.46Å; L662-Q683 HydrophobicContact CD2-CG 4.27Å; L662-F687 HydrophobicContact CD2-CB 4.42Å; L662-F687 HydrophobicContact CD2-CD2 4.03Å; L662-F687 HydrophobicContact CD2-CG 4.48Å; L662-I691 HydrophobicContact CD1-CD1 4.37Å; L662-I691 HydrophobicContact CD2-CD1 4.29Å; L662-I691 HydrophobicContact CD2-CG1 4.37Å
663Q93.1Very high87.6Confident45 Ų4558.5 Ų58.521%0.2131%0.313CS..Hα-helixtrans-72.7-32176.1-74.1-178.2-3.900112.5L659 E660 D661 Q665 L666 R680L659-Q663 HydrophobicContact CD1-CG 4.03Å; L659-Q663 HydrophobicContact CG-CG 4.47Å; L659-Q663 WeakPolarHBondContact O-CB 3.29Å; L659-Q663 VanDerWaalsContact O-CG 3.29Å; L659-Q663 WeakPolarHBondContact O-CG 3.4Å; L659-Q663 PolarHBondContact O-N 3.04Å; E660-Q663 PolarHBondContact O-N 3.13Å; D661-Q663 VanDerWaalsContact C-N 3.33Å; D661-Q663 PolarHBondContact O-N 3.37Å; Q663-Q665 VanDerWaalsContact C-N 3.31Å; Q663-Q665 PolarHBondContact O-N 3.45Å; Q663-L666 WeakPolarHBondContact O-CB 3.1Å; Q663-L666 PolarHBondContact O-N 3.48Å; Q663-L666 VanDerWaalsContact O-N 3.15Å; Q663-R680 HydrophobicContact CG-CG 4.17Å; Q663-R680 PolarHBondContact NE2-O 2.7Å
664K91Very high86.9Confident117 Ų11763.8 Ų63.851%0.50934%0.341SS..Hα-helixtrans-64.6-34.6174.7-170.5177.3-177.3176.30111.9E660 D661 L666 E667E660-K664 WeakPolarHBondContact O-CB 3.31Å; E660-K664 PolarHBondContact O-N 3.48Å; D661-K664 WeakPolarHBondContact O-CB 3.42Å; D661-K664 PolarHBondContact O-N 3.23Å; K664-L666 PolarHBondContact O-N 3.36Å; K664-E667 WeakPolarHBondContact O-CB 3.11Å; K664-E667 PolarHBondContact O-N 3.44Å; K664-E667 VanDerWaalsContact O-N 3.12Å
665Q88.9Confident86.3Confident64 Ų6465.4 Ų65.430%0.29935%0.348SS..Hα-helixtrans-61.6-31.7173-68-175.810.600112.7D652 D661 L662 Q663 E667 Q668D652-Q665 PolarHBondContact OD1-NE2 3Å; D652-Q665 PolarHBondContact OD2-NE2 2.76Å; D652-Q665 PolarHBondContact OD2-OE1 2.86Å; D661-Q665 WeakPolarHBondContact O-CG 3.22Å; D661-Q665 PolarHBondContact O-N 2.9Å; L662-Q665 PolarHBondContact O-N 3.19Å; Q663-Q665 VanDerWaalsContact C-N 3.31Å; Q663-Q665 PolarHBondContact O-N 3.45Å; Q665-E667 VanDerWaalsContact C-N 3.25Å; Q665-E667 PolarHBondContact O-N 2.93Å; Q665-Q668 PolarHBondContact O-N 2.72Å
666L86.3Confident85.9Confident16 Ų1663.8 Ų63.88%0.08434%0.339CS..Hα-helixtrans-64.3-31.1175.6-62.2177.7000112.3Q663 K664 Q668 G669 L671 L676 A679 R680 Q683Q663-L666 WeakPolarHBondContact O-CB 3.1Å; Q663-L666 PolarHBondContact O-N 3.48Å; Q663-L666 VanDerWaalsContact O-N 3.15Å; K664-L666 PolarHBondContact O-N 3.36Å; L666-Q668 VanDerWaalsContact C-N 3.3Å; L666-Q668 PolarHBondContact O-N 2.95Å; L666-G669 PolarHBondContact O-N 2.88Å; L666-L671 HydrophobicContact CB-CD1 4.15Å; L666-L671 HydrophobicContact CD2-CD1 3.86Å; L666-L676 HydrophobicContact CB-CD1 3.49Å; L666-L676 VanDerWaalsContact CB-CD1 3.49Å; L666-L676 HydrophobicContact CD1-CD1 4.33Å; L666-A679 HydrophobicContact CD1-CB 3.8Å; L666-A679 HydrophobicContact CD2-CB 4.44Å; L666-R680 HydrophobicContact CD1-CG 4.03Å; L666-Q683 VanDerWaalsContact CD1-OE1 3.26Å
667E80.5Confident85.6Confident114 Ų11466.3 Ų66.353%0.53335%0.35SS..Hα-helixtrans-69.5-27.9177.6-58.4-178.6158.200112.5K664 Q665 G669 R680K664-E667 WeakPolarHBondContact O-CB 3.11Å; K664-E667 PolarHBondContact O-N 3.44Å; K664-E667 VanDerWaalsContact O-N 3.12Å; Q665-E667 VanDerWaalsContact C-N 3.25Å; Q665-E667 PolarHBondContact O-N 2.93Å; E667-G669 PolarHBondContact O-N 2.89Å; E667-R680 VanDerWaalsContact CD-NH2 3.31Å; E667-R680 IonicContact OE1-CZ 2.66Å; E667-R680 IonicContact OE1-NH2 3.93Å; E667-R680 PolarHBondContact OE1-NH2 3.44Å
668Q75.6Confident85.3Confident129 Ų12972.9 Ų72.960%0.60337%0.374SS*.Hα-helixtrans-73.9-18.9175.3-59.9-178.31.800112.2R166 Q665 L666R166-Q668 PolarHBondContact NH1-O 2.89Å; Q665-Q668 PolarHBondContact O-N 2.72Å; L666-Q668 VanDerWaalsContact C-N 3.3Å; L666-Q668 PolarHBondContact O-N 2.95Å
669G70.6Confident85Confident35 Ų3570.9 Ų70.936%0.36136%0.36SS..SBendtrans-72.4-179.8179.200000114.3R166 L666 E667R166-G669 PolarHBondContact NH1-O 3.28Å; R166-G669 VanDerWaalsContact NH1-O 3.16Å; L666-G669 PolarHBondContact O-N 2.88Å; E667-G669 PolarHBondContact O-N 2.89Å
670N68.9Low84.9Confident78 Ų7872.9 Ų72.942%0.41737%0.365SS..  trans-108.738.2176-67.6-34.6000111K162 R166K162-N670 HydrophobicContact CD-CB 4.46Å; R166-N670 PolarHBondContact NH1-OD1 2.89Å
671L75.1Confident84.8Confident27 Ų2771.9 Ų71.914%0.14136%0.361CS..  trans-73.3142.8-179.6-74.6161.5000110.9S643 L666 E675 L676S643-L671 VanDerWaalsContact C-CD2 3.47Å; S643-L671 WeakPolarHBondContact O-CD2 3.31Å; L666-L671 HydrophobicContact CB-CD1 4.15Å; L666-L671 HydrophobicContact CD2-CD1 3.86Å; L671-E675 HydrophobicContact CD2-CB 4.34Å; L671-E675 HydrophobicContact CD2-CG 4Å; L671-L676 HydrophobicContact CB-CB 4.23Å; L671-L676 HydrophobicContact CD1-CD1 4.21Å
672D75.2Confident84.6Confident75 Ų7570.3 Ų70.340%0.40136%0.358SS..  trans-61.9143.8166.5-179.2-90.4000109.5N674 E675 L676D672-N674 PolarHBondContact O-N 3.19Å; D672-N674 VanDerWaalsContact O-N 3.13Å; D672-N674 VanDerWaalsContact OD1-CB 3.32Å; D672-N674 WeakPolarHBondContact OD1-CB 3.28Å; D672-N674 PolarHBondContact OD1-N 3.05Å; D672-N674 PolarHBondContact OD1-ND2 3.44Å; D672-E675 HydrophobicContact CB-CB 4.27Å; D672-E675 CarbonylContact O-C 3.52Å; D672-E675 WeakPolarHBondContact O-CA 3.5Å; D672-E675 PolarHBondContact O-N 2.93Å; D672-L676 PolarHBondContact O-N 3.17Å
673P78.1Confident84.5Confident91 Ų9170.9 Ų70.959%0.59136%0.361SS*.Hα-helixtrans-53.4-34.6-179.3-2936000114.8T677P673-T677 PolarHBondContact O-N 3.16Å; P673-T677 PolarHBondContact O-OG1 3.36Å
674N82.8Confident84.5Confident110 Ų11070.6 Ų70.659%0.58837%0.366SS*.Hα-helixtrans-71.4-40.2176.6-64.8-47.9000111.4D672 T677 R678D672-N674 PolarHBondContact O-N 3.19Å; D672-N674 VanDerWaalsContact O-N 3.13Å; D672-N674 VanDerWaalsContact OD1-CB 3.32Å; D672-N674 WeakPolarHBondContact OD1-CB 3.28Å; D672-N674 PolarHBondContact OD1-N 3.05Å; D672-N674 PolarHBondContact OD1-ND2 3.44Å; N674-T677 PolarHBondContact O-N 3.39Å; N674-R678 WeakPolarHBondContact O-CG 3.21Å; N674-R678 PolarHBondContact O-N 2.95Å; N674-R678 VanDerWaalsContact O-N 3.1Å
675E83.8Confident84.5Confident39 Ų3972.7 Ų72.718%0.18238%0.375CS..Hα-helixtrans-71.1-35.2178.5-160.761.2-162.100111.4L671 D672 T677 R678 A679L671-E675 HydrophobicContact CD2-CB 4.34Å; L671-E675 HydrophobicContact CD2-CG 4Å; D672-E675 HydrophobicContact CB-CB 4.27Å; D672-E675 CarbonylContact O-C 3.52Å; D672-E675 WeakPolarHBondContact O-CA 3.5Å; D672-E675 PolarHBondContact O-N 2.93Å; E675-T677 VanDerWaalsContact C-N 3.32Å; E675-T677 PolarHBondContact O-N 3.43Å; E675-R678 PolarHBondContact O-N 3.47Å; E675-R678 IonicContact OE2-NH1 3.34Å; E675-R678 PolarHBondContact OE2-NH1 3.41Å; E675-A679 VanDerWaalsContact O-CB 3.26Å; E675-A679 WeakPolarHBondContact O-CB 3.45Å; E675-A679 PolarHBondContact O-N 3Å
676L88Confident84.6Confident37 Ų3772 Ų7219%0.19437%0.374CS..Hα-helixtrans-57.9-45.1171.1179.463.5000111.3L666 L671 D672 A679 R680L666-L676 HydrophobicContact CB-CD1 3.49Å; L666-L676 VanDerWaalsContact CB-CD1 3.49Å; L666-L676 HydrophobicContact CD1-CD1 4.33Å; L671-L676 HydrophobicContact CB-CB 4.23Å; L671-L676 HydrophobicContact CD1-CD1 4.21Å; D672-L676 PolarHBondContact O-N 3.17Å; L676-A679 PolarHBondContact O-N 3.2Å; L676-R680 WeakPolarHBondContact O-CG 3.42Å; L676-R680 PolarHBondContact O-N 3.02Å
677T90.3Very high84.9Confident75 Ų7572.4 Ų72.446%0.4638%0.375SS..Hα-helixtrans-63.4-45.1178.3-56.10000111.3P673 N674 E675 R680 Q681P673-T677 PolarHBondContact O-N 3.16Å; P673-T677 PolarHBondContact O-OG1 3.36Å; N674-T677 PolarHBondContact O-N 3.39Å; E675-T677 VanDerWaalsContact C-N 3.32Å; E675-T677 PolarHBondContact O-N 3.43Å; T677-R680 PolarHBondContact O-N 3.35Å; T677-Q681 WeakPolarHBondContact O-CG 3.48Å; T677-Q681 PolarHBondContact O-N 3.33Å; T677-Q681 VanDerWaalsContact O-N 3.15Å
678R89.7Confident85.5Confident159 Ų15971.5 Ų71.560%0.638%0.379SS*.Hα-helixtrans-64.2-42.3176.5-71.1175.1-177.7169.7-0.5112.3N674 E675 Q681 A682N674-R678 WeakPolarHBondContact O-CG 3.21Å; N674-R678 PolarHBondContact O-N 2.95Å; N674-R678 VanDerWaalsContact O-N 3.1Å; E675-R678 PolarHBondContact O-N 3.47Å; E675-R678 IonicContact OE2-NH1 3.34Å; E675-R678 PolarHBondContact OE2-NH1 3.41Å; R678-Q681 PolarHBondContact O-N 2.96Å; R678-A682 WeakPolarHBondContact O-CB 3.29Å; R678-A682 PolarHBondContact O-N 3.1Å
679A90.5Very high86.3Confident5 Ų574.7 Ų74.74%0.04139%0.391CS..Hα-helixtrans-62.3-42.3178.200000111.5L666 E675 L676 Q681 A682 Q683L666-A679 HydrophobicContact CD1-CB 3.8Å; L666-A679 HydrophobicContact CD2-CB 4.44Å; E675-A679 VanDerWaalsContact O-CB 3.26Å; E675-A679 WeakPolarHBondContact O-CB 3.45Å; E675-A679 PolarHBondContact O-N 3Å; L676-A679 PolarHBondContact O-N 3.2Å; A679-Q681 PolarHBondContact O-N 3.38Å; A679-A682 PolarHBondContact O-N 3.11Å; A679-Q683 WeakPolarHBondContact O-CB 3.46Å; A679-Q683 WeakPolarHBondContact O-CG 3.25Å; A679-Q683 PolarHBondContact O-N 3.35Å
680R92.7Very high87.4Confident79 Ų7973.4 Ų73.430%0.29838%0.377SS..Hα-helixtrans-60.4-45.4174.2-75.8-178.8178.1-174.5-3.1112.7Q663 L666 E667 L676 T677 A682 Q683 A684Q663-R680 HydrophobicContact CG-CG 4.17Å; Q663-R680 PolarHBondContact NE2-O 2.7Å; L666-R680 HydrophobicContact CD1-CG 4.03Å; E667-R680 VanDerWaalsContact CD-NH2 3.31Å; E667-R680 IonicContact OE1-CZ 2.66Å; E667-R680 IonicContact OE1-NH2 3.93Å; E667-R680 PolarHBondContact OE1-NH2 3.44Å; L676-R680 WeakPolarHBondContact O-CG 3.42Å; L676-R680 PolarHBondContact O-N 3.02Å; T677-R680 PolarHBondContact O-N 3.35Å; R680-A682 VanDerWaalsContact C-N 3.34Å; R680-Q683 PolarHBondContact O-N 3.38Å; R680-A684 WeakPolarHBondContact O-CB 3.24Å; R680-A684 PolarHBondContact O-N 2.88Å
681Q92.2Very high88.6Confident131 Ų13169.9 Ų69.961%0.61236%0.359SS*.Hα-helixtrans-62.9-41.5177.4-71.4175.4-8.400111.5T677 R678 A679 K685T677-Q681 WeakPolarHBondContact O-CG 3.48Å; T677-Q681 PolarHBondContact O-N 3.33Å; T677-Q681 VanDerWaalsContact O-N 3.15Å; R678-Q681 PolarHBondContact O-N 2.96Å; A679-Q681 PolarHBondContact O-N 3.38Å; Q681-K685 WeakPolarHBondContact O-CB 3.48Å; Q681-K685 PolarHBondContact O-N 2.95Å; Q681-K685 VanDerWaalsContact O-N 3.08Å
682A90.2Very high89.6Confident45 Ų4570.4 Ų70.437%0.37236%0.364SS..Hα-helixtrans-64.1-47.6175.900000111.8R678 A679 R680 A684 K685 D686R678-A682 WeakPolarHBondContact O-CB 3.29Å; R678-A682 PolarHBondContact O-N 3.1Å; A679-A682 PolarHBondContact O-N 3.11Å; R680-A682 VanDerWaalsContact C-N 3.34Å; A682-A684 PolarHBondContact O-N 2.8Å; A682-K685 WeakPolarHBondContact O-CB 3.4Å; A682-K685 PolarHBondContact O-N 2.76Å; A682-D686 WeakPolarHBondContact O-CB 3.33Å; A682-D686 PolarHBondContact O-N 3.2Å
683Q91.8Very high90.5Very high18 Ų1868 Ų688%0.08435%0.35CS..Hα-helixtrans-61-42.5176.3-75.7-177.3-16.100112.4L659 L662 L666 A679 R680 K685 D686 F687L659-Q683 HydrophobicContact CD1-CB 4.32Å; L662-Q683 HydrophobicContact CD2-CB 4.46Å; L662-Q683 HydrophobicContact CD2-CG 4.27Å; L666-Q683 VanDerWaalsContact CD1-OE1 3.26Å; A679-Q683 WeakPolarHBondContact O-CB 3.46Å; A679-Q683 WeakPolarHBondContact O-CG 3.25Å; A679-Q683 PolarHBondContact O-N 3.35Å; R680-Q683 PolarHBondContact O-N 3.38Å; Q683-K685 VanDerWaalsContact C-N 3.25Å; Q683-K685 PolarHBondContact O-N 3.34Å; Q683-D686 PolarHBondContact O-N 3.41Å; Q683-F687 CarbonylContact O-C 3.56Å; Q683-F687 WeakPolarHBondContact O-CA 3.26Å; Q683-F687 WeakPolarHBondContact O-CB 3.41Å; Q683-F687 PolarHBondContact O-N 2.94Å
684A92.1Very high91.4Very high39 Ų3963.7 Ų63.732%0.32232%0.322SS..Hα-helixtrans-65-31.5177.500000112.4L659 R680 A682 P688L659-A684 HydrophobicContact CD2-CB 4.21Å; R680-A684 WeakPolarHBondContact O-CB 3.24Å; R680-A684 PolarHBondContact O-N 2.88Å; A682-A684 PolarHBondContact O-N 2.8Å; A684-P688 WeakPolarHBondContact O-CA 3.31Å
685K91.7Very high92.1Very high161 Ų16158.5 Ų58.570%0.729%0.294SS*.Hα-helixtrans-74-45.6175.7-177-178.3177.4-177.90112.2Q681 A682 Q683Q681-K685 WeakPolarHBondContact O-CB 3.48Å; Q681-K685 PolarHBondContact O-N 2.95Å; Q681-K685 VanDerWaalsContact O-N 3.08Å; A682-K685 WeakPolarHBondContact O-CB 3.4Å; A682-K685 PolarHBondContact O-N 2.76Å; Q683-K685 VanDerWaalsContact C-N 3.25Å; Q683-K685 PolarHBondContact O-N 3.34Å
686D90Very high92.8Very high50 Ų5056.6 Ų56.627%0.26729%0.285SS..Hα-helixtrans-80.8-33.6-175-65.8-16.3000111.9H636 A682 Q683H636-D686 IonicContact CD2-OD2 3.82Å; H636-D686 IonicContact CE1-OD1 3.19Å; H636-D686 PolarHBondContact CE1-OD1 3.34Å; H636-D686 IonicContact CE1-OD2 3.28Å; H636-D686 IonicContact NE2-OD1 3.2Å; H636-D686 PolarHBondContact NE2-OD1 2.89Å; H636-D686 IonicContact NE2-OD2 2.71Å; H636-D686 PolarHBondContact NE2-OD2 3.41Å; A682-D686 WeakPolarHBondContact O-CB 3.33Å; A682-D686 PolarHBondContact O-N 3.2Å; Q683-D686 PolarHBondContact O-N 3.41Å
687F92.6Very high93.3Very high24 Ų2454.9 Ų54.911%0.10528%0.276CS..  trans-13164.3-175.1-50.8-63.2000111.9I648 L662 Q683 K689 G690 I691 I717I648-F687 HydrophobicContact CD1-CE2 3.93Å; I648-F687 HydrophobicContact CD1-CZ 3.69Å; L662-F687 HydrophobicContact CD2-CB 4.42Å; L662-F687 HydrophobicContact CD2-CD2 4.03Å; L662-F687 HydrophobicContact CD2-CG 4.48Å; Q683-F687 CarbonylContact O-C 3.56Å; Q683-F687 WeakPolarHBondContact O-CA 3.26Å; Q683-F687 WeakPolarHBondContact O-CB 3.41Å; Q683-F687 PolarHBondContact O-N 2.94Å; F687-K689 PolarHBondContact O-N 3.5Å; F687-G690 PolarHBondContact O-N 3.2Å; F687-I691 HydrophobicContact CD1-CG1 3.82Å; F687-I691 HydrophobicContact CD2-CG1 4.37Å; F687-I691 HydrophobicContact CE1-CG1 4.1Å; F687-I691 HydrophobicContact CG-CG1 3.97Å; F687-I691 HydrophobicContact CZ-CG1 4.48Å; F687-I717 HydrophobicContact CE1-CB 3.88Å; F687-I717 HydrophobicContact CE1-CG1 3.71Å; F687-I717 HydrophobicContact CE1-CG2 4.43Å; F687-I717 HydrophobicContact CZ-CB 4.49Å; F687-I717 HydrophobicContact CZ-CG1 3.83Å
688P93Very high93.7Very high94 Ų9451.3 Ų51.361%0.6125%0.254SS*.THydrogen-bonded Turntrans-61.3-20-173.624-35.2000114.7A684A684-P688 WeakPolarHBondContact O-CA 3.31Å
689K92.9Very high94.1Very high196 Ų19643.7 Ų43.785%0.85223%0.226SC*.THydrogen-bonded Turntrans-116.316.1175.4-63.4-176.8179.7178.50112.6F687F687-K689 PolarHBondContact O-N 3.5Å
690G94Very high94.4Very high8 Ų843.5 Ų43.58%0.08222%0.224CC..  trans77.9-169.5-165.700000112.5I657 F687I657-G690 CarbonylContact O-C 3.57Å; I657-G690 WeakPolarHBondContact O-CA 3.42Å; F687-G690 PolarHBondContact O-N 3.2Å
691I94.9Very high94.7Very high5 Ų539.8 Ų39.83%0.02621%0.21CC..BIsolated β-bridgetrans-92.4127.6179.9-63.7170.9000108.6I648 D652 V653 G656 I657 L662 F687 I717I648-I691 HydrophobicContact CG2-CD1 3.82Å; D652-I691 HydrophobicContact CB-CD1 4.48Å; V653-I691 HydrophobicContact CB-CG2 4.42Å; V653-I691 HydrophobicContact CG2-CG2 4.2Å; G656-I691 VanDerWaalsContact CA-O 3.22Å; G656-I691 WeakPolarHBondContact CA-O 3.41Å; I657-I691 HydrophobicContact CG2-CB 3.92Å; I657-I691 HydrophobicContact CG2-CD1 4.11Å; I657-I691 HydrophobicContact CG2-CG1 4.2Å; I657-I691 PolarHBondContact N-O 3.39Å; I657-I691 PolarHBondContact O-N 3.33Å; L662-I691 HydrophobicContact CD1-CD1 4.37Å; L662-I691 HydrophobicContact CD2-CD1 4.29Å; L662-I691 HydrophobicContact CD2-CG1 4.37Å; F687-I691 HydrophobicContact CD1-CG1 3.82Å; F687-I691 HydrophobicContact CD2-CG1 4.37Å; F687-I691 HydrophobicContact CE1-CG1 4.1Å; F687-I691 HydrophobicContact CG-CG1 3.97Å; F687-I691 HydrophobicContact CZ-CG1 4.48Å; I691-I717 HydrophobicContact CG2-CG2 3.92Å
692P94.9Very high94.8Very high38 Ų3833.5 Ų33.525%0.24718%0.18CC..  trans-70.2147178.229-34.5000112C694 Q721P692-C694 PolarHBondContact O-N 2.99Å; P692-C694 VanDerWaalsContact O-N 3.09Å; P692-C694 PolarHBondContact O-SG 2.98Å; P692-Q721 HydrophobicContact CG-CG 4.47Å
693E95.1Very high95.1Very high25 Ų2531.4 Ų31.412%0.11716%0.163CC..  trans-62.4108.5171.1-177.3-168.6-100.300110.3Q51 P76 K77 I654 R724Q51-E693 PolarHBondContact NE2-OE2 2.82Å; P76-E693 HydrophobicContact CG-CG 4.38Å; K77-E693 VanDerWaalsContact CD-OE1 3.28Å; K77-E693 WeakPolarHBondContact CD-OE1 3.36Å; K77-E693 WeakPolarHBondContact CE-OE1 3.16Å; K77-E693 IonicContact NZ-OE1 3.71Å; K77-E693 PolarHBondContact NZ-OE1 3.1Å; I654-E693 WeakPolarHBondContact O-CG 3.26Å; E693-R724 WeakPolarHBondContact O-CD 3.47Å; E693-R724 PolarHBondContact O-NE 3.4Å; E693-R724 IonicContact OE2-NH2 2.72Å
694C96.6Very high95.3Very high0 Ų030.6 Ų30.60%016%0.159CC..  trans-102.3-26.3-179.1-64.40000113.3V653 P692 A698 V720 R724V653-C694 HydrophobicContact CG1-CB 4.15Å; V653-C694 WeakPolarHBondContact O-CB 3.41Å; V653-C694 PolarHBondContact O-N 3.36Å; P692-C694 PolarHBondContact O-N 2.99Å; P692-C694 VanDerWaalsContact O-N 3.09Å; P692-C694 PolarHBondContact O-SG 2.98Å; C694-A698 HydrophobicContact CB-CB 4.26Å; C694-A698 WeakPolarHBondContact O-CB 3.31Å; C694-V720 HydrophobicContact CB-CG1 3.77Å; C694-R724 WeakPolarHBondContact O-CG 3.41Å
695G97.3Very high95.4Very high0 Ų029 Ų290%015%0.146CC..  trans78.5163.7-16900000113.8E80 I654 L699E80-G695 WeakPolarHBondContact OE1-CA 3.49Å; I654-G695 PolarHBondContact O-N 3.25Å; G695-L699 PolarHBondContact O-N 2.84Å
696T98.3Very high95.3Very high0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-67.8-46.2-175-610000112.4E80 A201 L202 I654 A698 L699 R700 F862E80-T696 PolarHBondContact OE1-N 3.02Å; E80-T696 WeakPolarHBondContact OE2-CB 3.23Å; E80-T696 PolarHBondContact OE2-OG1 3.09Å; A201-T696 WeakPolarHBondContact O-CG2 3.28Å; A201-T696 PolarHBondContact O-OG1 3.02Å; L202-T696 VanDerWaalsContact C-CG2 3.48Å; L202-T696 WeakPolarHBondContact O-CG2 3.48Å; I654-T696 WeakPolarHBondContact CD1-OG1 3.31Å; I654-T696 WeakPolarHBondContact CG2-OG1 3.47Å; T696-A698 VanDerWaalsContact C-N 3.33Å; T696-A698 PolarHBondContact O-N 3.21Å; T696-L699 WeakPolarHBondContact O-CB 3.31Å; T696-L699 PolarHBondContact O-N 2.8Å; T696-R700 HydrophobicContact CG2-CG 4.21Å; T696-R700 VanDerWaalsContact O-CG 3.3Å; T696-R700 WeakPolarHBondContact O-CG 3.24Å; T696-R700 PolarHBondContact O-N 2.84Å; T696-F862 HydrophobicContact CG2-CD2 3.98Å; T696-F862 HydrophobicContact CG2-CE2 3.62Å
697D98.5Very high95.1Very high0 Ų020.5 Ų20.50%011%0.108CC..Hα-helixtrans-63.9-39.9-177.5-67.7-25.1000112.5L699 R700 I701 M860 P861 F862 I863D697-L699 VanDerWaalsContact C-N 3.33Å; D697-L699 PolarHBondContact O-N 3.13Å; D697-R700 PolarHBondContact O-N 2.74Å; D697-I701 VanDerWaalsContact O-CG2 3.24Å; D697-I701 WeakPolarHBondContact O-CG2 3.21Å; D697-I701 PolarHBondContact O-N 3.3Å; D697-M860 HydrophobicContact CB-CB 3.77Å; D697-M860 HydrophobicContact CB-CE 3.85Å; D697-M860 HydrophobicContact CB-CG 3.98Å; D697-M860 VanDerWaalsContact CG-C 3.49Å; D697-M860 VanDerWaalsContact OD1-CA 3.24Å; D697-M860 WeakPolarHBondContact OD1-CA 3.48Å; D697-P861 WeakPolarHBondContact OD1-CD 3.39Å; D697-F862 PolarHBondContact OD1-N 2.88Å; D697-F862 VanDerWaalsContact OD1-N 3.1Å; D697-F862 WeakPolarHBondContact OD2-CB 3.35Å; D697-F862 PolarHBondContact OD2-N 3.36Å; D697-I863 HydrophobicContact CB-CG2 4.4Å; D697-I863 VanDerWaalsContact OD2-CB 3.31Å; D697-I863 WeakPolarHBondContact OD2-CB 3.33Å; D697-I863 WeakPolarHBondContact OD2-CG2 3.43Å; D697-I863 PolarHBondContact OD2-N 2.98Å
698A98Very high94.4Very high0 Ų022.7 Ų22.70%013%0.131CC..Hα-helixtrans-63.4-41.5177.200000111.3C694 T696 A702 V720 R724C694-A698 HydrophobicContact CB-CB 4.26Å; C694-A698 WeakPolarHBondContact O-CB 3.31Å; T696-A698 VanDerWaalsContact C-N 3.33Å; T696-A698 PolarHBondContact O-N 3.21Å; A698-A702 WeakPolarHBondContact O-CB 3.46Å; A698-A702 PolarHBondContact O-N 2.92Å; A698-V720 HydrophobicContact CB-CG1 4.27Å; A698-R724 HydrophobicContact CB-CB 4.16Å
699L98Very high93.5Very high0 Ų022.4 Ų22.40%012%0.122CC..Hα-helixtrans-62.2-51.5175.3175.658.4000111.3L120 L202 P650 V653 I654 G695 T696 D697 A702 L703 V720L120-L699 HydrophobicContact CD2-CD1 4.11Å; L120-L699 HydrophobicContact CD2-CD2 4.45Å; L202-L699 HydrophobicContact CD2-CD2 3.96Å; P650-L699 HydrophobicContact CB-CD2 3.93Å; V653-L699 HydrophobicContact CB-CD2 4.4Å; V653-L699 HydrophobicContact CG1-CD1 4.18Å; I654-L699 HydrophobicContact CD1-CD2 4.47Å; I654-L699 HydrophobicContact CG1-CD2 4.14Å; G695-L699 PolarHBondContact O-N 2.84Å; T696-L699 WeakPolarHBondContact O-CB 3.31Å; T696-L699 PolarHBondContact O-N 2.8Å; D697-L699 VanDerWaalsContact C-N 3.33Å; D697-L699 PolarHBondContact O-N 3.13Å; L699-A702 WeakPolarHBondContact O-CB 3.36Å; L699-A702 PolarHBondContact O-N 3.5Å; L699-L703 HydrophobicContact CD1-CD1 3.66Å; L699-L703 HydrophobicContact CD1-CD2 4.48Å; L699-L703 HydrophobicContact CD1-CG 3.93Å; L699-L703 HydrophobicContact CG-CD1 3.81Å; L699-L703 HydrophobicContact CG-CG 4.47Å; L699-L703 VanDerWaalsContact O-CG 3.26Å; L699-L703 WeakPolarHBondContact O-CG 3.48Å; L699-L703 PolarHBondContact O-N 3.31Å; L699-V720 HydrophobicContact CB-CG1 4.2Å; L699-V720 HydrophobicContact CD1-CG1 4.45Å; L699-V720 HydrophobicContact CD1-CG2 4.43Å
700R98.1Very high92.7Very high1 Ų115.3 Ų15.30%0.00410%0.104CC..Hα-helixtrans-61.1-52.2-176.6-70.9170.959128.53.6113.1D130 L202 G203 T696 D697 A702 L703 C704 P858 F859 P861D130-R700 IonicContact OD2-CZ 3.4Å; D130-R700 IonicContact OD2-NH1 2.58Å; D130-R700 PolarHBondContact OD2-NH1 2.76Å; D130-R700 IonicContact OD2-NH2 3.58Å; D130-R700 PolarHBondContact OD2-NH2 3.47Å; L202-R700 WeakPolarHBondContact O-CD 3.28Å; L202-R700 PolarHBondContact O-NH1 3.01Å; G203-R700 PolarHBondContact O-NH1 2.88Å; T696-R700 HydrophobicContact CG2-CG 4.21Å; T696-R700 VanDerWaalsContact O-CG 3.3Å; T696-R700 WeakPolarHBondContact O-CG 3.24Å; T696-R700 PolarHBondContact O-N 2.84Å; D697-R700 PolarHBondContact O-N 2.74Å; R700-A702 VanDerWaalsContact C-N 3.26Å; R700-A702 PolarHBondContact O-N 2.83Å; R700-L703 PolarHBondContact O-N 2.87Å; R700-C704 PolarHBondContact O-N 3Å; R700-P858 PolarHBondContact NH2-O 3.12Å; R700-F859 WeakPolarHBondContact CB-O 3.34Å; R700-F859 PolarHBondContact NE-O 3.4Å; R700-P861 VanDerWaalsContact CZ-CD 3.47Å
701I97.6Very high92.1Very high0 Ų021.1 Ų21.10%012%0.123CC..Hα-helixtrans-63.8-35.5-179.5-166.5169.9000111.3D697 A705 Y723 F726 T798 L856 F859 M860D697-I701 VanDerWaalsContact O-CG2 3.24Å; D697-I701 WeakPolarHBondContact O-CG2 3.21Å; D697-I701 PolarHBondContact O-N 3.3Å; I701-A705 VanDerWaalsContact O-CB 3.24Å; I701-A705 WeakPolarHBondContact O-CB 3.44Å; I701-A705 PolarHBondContact O-N 2.86Å; I701-Y723 HydrophobicContact CD1-CD1 4.42Å; I701-Y723 HydrophobicContact CD1-CE1 4.4Å; I701-Y723 HydrophobicContact CG1-CD1 4.39Å; I701-Y723 HydrophobicContact CG1-CE1 4.27Å; I701-Y723 HydrophobicContact CG2-CD1 3.44Å; I701-Y723 VanDerWaalsContact CG2-CD1 3.44Å; I701-Y723 HydrophobicContact CG2-CD2 4.4Å; I701-Y723 HydrophobicContact CG2-CE1 4.08Å; I701-Y723 HydrophobicContact CG2-CG 3.61Å; I701-F726 HydrophobicContact CD1-CE1 4.25Å; I701-T798 HydrophobicContact CG1-CG2 3.9Å; I701-L856 HydrophobicContact CD1-CD2 3.91Å; I701-F859 HydrophobicContact CB-CB 4.19Å; I701-F859 HydrophobicContact CG1-CB 4.17Å; I701-M860 HydrophobicContact CB-CG 3.9Å; I701-M860 HydrophobicContact CB-SD 4.25Å; I701-M860 HydrophobicContact CD1-CG 4.04Å; I701-M860 HydrophobicContact CD1-SD 3.54Å; I701-M860 VanDerWaalsContact CD1-SD 3.54Å; I701-M860 HydrophobicContact CG1-CG 4.48Å; I701-M860 HydrophobicContact CG1-SD 4.48Å; I701-M860 HydrophobicContact CG2-CG 4.26Å; I701-M860 HydrophobicContact CG2-SD 4.2Å
702A96.1Very high91.7Very high0 Ų023.9 Ų23.90%014%0.138CC..Hα-helixtrans-62-50.717400000111A698 L699 R700 C704 A705 Y706 V720 Y723A698-A702 WeakPolarHBondContact O-CB 3.46Å; A698-A702 PolarHBondContact O-N 2.92Å; L699-A702 WeakPolarHBondContact O-CB 3.36Å; L699-A702 PolarHBondContact O-N 3.5Å; R700-A702 VanDerWaalsContact C-N 3.26Å; R700-A702 PolarHBondContact O-N 2.83Å; A702-C704 PolarHBondContact O-N 3.44Å; A702-A705 PolarHBondContact O-N 2.81Å; A702-Y706 VanDerWaalsContact O-CD2 3.27Å; A702-Y706 WeakPolarHBondContact O-CD2 3.5Å; A702-Y706 PolarHBondContact O-N 3.42Å; A702-V720 HydrophobicContact CB-CB 4.38Å; A702-V720 HydrophobicContact CB-CG1 4.46Å; A702-V720 HydrophobicContact CB-CG2 3.89Å; A702-Y723 HydrophobicContact CB-CD2 3.5Å; A702-Y723 HydrophobicContact CB-CE2 3.79Å; A702-Y723 HydrophobicContact CB-CG 4.37Å
703L95.9Very high91.4Very high1 Ų122.1 Ų22.11%0.00513%0.127CC..Hα-helixtrans-57.9-46.7-180-70.9169.4000111.7A123 L124 L699 R700 A705 Y706 L715A123-L703 HydrophobicContact CB-CD1 3.75Å; L124-L703 HydrophobicContact CB-CD2 4.29Å; L124-L703 HydrophobicContact CD1-CB 3.91Å; L124-L703 WeakPolarHBondContact CD1-O 3.39Å; L699-L703 HydrophobicContact CD1-CD1 3.66Å; L699-L703 HydrophobicContact CD1-CD2 4.48Å; L699-L703 HydrophobicContact CD1-CG 3.93Å; L699-L703 HydrophobicContact CG-CD1 3.81Å; L699-L703 HydrophobicContact CG-CG 4.47Å; L699-L703 VanDerWaalsContact O-CG 3.26Å; L699-L703 WeakPolarHBondContact O-CG 3.48Å; L699-L703 PolarHBondContact O-N 3.31Å; R700-L703 PolarHBondContact O-N 2.87Å; L703-A705 PolarHBondContact O-N 3.15Å; L703-Y706 PolarHBondContact O-N 3.41Å; L703-L715 HydrophobicContact CD2-CD1 4.34Å; L703-L715 HydrophobicContact CD2-CD2 3.68Å
704C95.9Very high91.1Very high0 Ų024.2 Ų24.20%014%0.139CC..Hα-helixtrans-63.3-40.2176.6-680000112.3R700 A702 Y706 T707 F794 T798 F859R700-C704 PolarHBondContact O-N 3Å; A702-C704 PolarHBondContact O-N 3.44Å; C704-Y706 VanDerWaalsContact C-N 3.29Å; C704-Y706 PolarHBondContact O-N 2.95Å; C704-T707 PolarHBondContact O-N 3.42Å; C704-T707 PolarHBondContact O-OG1 2.96Å; C704-F794 HydrophobicContact CB-CB 4.23Å; C704-T798 HydrophobicContact CB-CG2 3.98Å; C704-F859 HydrophobicContact CB-CD1 3.8Å; C704-F859 HydrophobicContact CB-CE1 3.89Å
705A94.5Very high90.7Very high7 Ų724.5 Ų24.56%0.05814%0.14CC..Hα-helixtrans-67.6-26.7177.400000113.6I701 A702 L703 T707 Y723 T798I701-A705 VanDerWaalsContact O-CB 3.24Å; I701-A705 WeakPolarHBondContact O-CB 3.44Å; I701-A705 PolarHBondContact O-N 2.86Å; A702-A705 PolarHBondContact O-N 2.81Å; L703-A705 PolarHBondContact O-N 3.15Å; A705-T707 VanDerWaalsContact C-N 3.31Å; A705-T707 PolarHBondContact O-N 3.41Å; A705-Y723 VanDerWaalsContact CB-OH 3.27Å; A705-Y723 WeakPolarHBondContact CB-OH 3.48Å; A705-T798 HydrophobicContact CB-CG2 4.47Å
706Y89.8Confident90.3Very high11 Ų1127.8 Ų27.84%0.04316%0.158CC..Hα-helixtrans-76.9-14.1-179.3-99.7-94.9000114.3A702 L703 C704 A708 Q709 I713 N714 L715 D716 R719A702-Y706 VanDerWaalsContact O-CD2 3.27Å; A702-Y706 WeakPolarHBondContact O-CD2 3.5Å; A702-Y706 PolarHBondContact O-N 3.42Å; L703-Y706 PolarHBondContact O-N 3.41Å; C704-Y706 VanDerWaalsContact C-N 3.29Å; C704-Y706 PolarHBondContact O-N 2.95Å; Y706-A708 PolarHBondContact O-N 3.1Å; Y706-Q709 HydrophobicContact CD1-CG 4.44Å; Y706-Q709 PolarHBondContact O-N 2.98Å; Y706-Q709 VanDerWaalsContact O-N 3.16Å; Y706-I713 HydrophobicContact CD1-CG2 3.69Å; Y706-I713 HydrophobicContact CG-CG2 4.06Å; Y706-N714 VanDerWaalsContact CE1-O 3.26Å; Y706-N714 WeakPolarHBondContact CE1-O 3.48Å; Y706-L715 HydrophobicContact CD2-CD1 4.09Å; Y706-L715 HydrophobicContact CE1-CD1 4.46Å; Y706-L715 HydrophobicContact CE2-CD1 3.96Å; Y706-L715 HydrophobicContact CG-CD1 4.36Å; Y706-D716 PolarHBondContact OH-N 3.35Å; Y706-R719 HydrophobicContact CE2-CB 3.94Å; Y706-R719 VanDerWaalsContact CE2-CD 3.43Å; Y706-R719 HydrophobicContact CE2-CG 3.72Å; Y706-R719 WeakPolarHBondContact OH-CB 3.26Å; Y706-R719 VanDerWaalsContact OH-CD 3.31Å; Y706-R719 WeakPolarHBondContact OH-CD 3.38Å
707T85.7Confident89.9Confident20 Ų2028 Ų2812%0.12316%0.159CC..G310 helixtrans-60.5-11.2179.858.60000114.1L124 C704 A705 Q709 I713 P795L124-T707 HydrophobicContact CD1-CG2 3.94Å; C704-T707 PolarHBondContact O-N 3.42Å; C704-T707 PolarHBondContact O-OG1 2.96Å; A705-T707 VanDerWaalsContact C-N 3.31Å; A705-T707 PolarHBondContact O-N 3.41Å; T707-Q709 VanDerWaalsContact C-N 3.25Å; T707-Q709 PolarHBondContact O-N 2.72Å; T707-I713 HydrophobicContact CG2-CD1 4.27Å; T707-P795 WeakPolarHBondContact OG1-CD 3.28Å; T707-P795 WeakPolarHBondContact OG1-CG 3.4Å
708A77.2Confident89.2Confident71 Ų7132.7 Ų32.759%0.58718%0.182SC*.G310 helixtrans-65.1-16.8172.500000115.2Y706 G710 P795Y706-A708 PolarHBondContact O-N 3.1Å; A708-G710 PolarHBondContact O-N 2.94Å; A708-G710 VanDerWaalsContact O-N 3.1Å; A708-P795 HydrophobicContact CB-CB 3.93Å; A708-P795 HydrophobicContact CB-CG 3.72Å
709Q73.2Confident88.7Confident88 Ų8837.6 Ų37.641%0.41120%0.201SC..G310 helixtrans-75.57.3-171.9-66.3-170.4-0.300115.1Y706 T707 N712Y706-Q709 HydrophobicContact CD1-CG 4.44Å; Y706-Q709 PolarHBondContact O-N 2.98Å; Y706-Q709 VanDerWaalsContact O-N 3.16Å; T707-Q709 VanDerWaalsContact C-N 3.25Å; T707-Q709 PolarHBondContact O-N 2.72Å; Q709-N712 WeakPolarHBondContact CB-O 3.37Å
710G76.4Confident88.5Confident47 Ų4737.6 Ų37.649%0.48520%0.201SC..THydrogen-bonded Turntrans83.5-138.7-177.700000111.5A630 A708 N712A630-G710 WeakPolarHBondContact CB-O 3.41Å; A708-G710 PolarHBondContact O-N 2.94Å; A708-G710 VanDerWaalsContact O-N 3.1Å; G710-N712 VanDerWaalsContact C-N 3.34Å; G710-N712 PolarHBondContact O-N 2.87Å
711R82Confident88.3Confident129 Ų12939.8 Ų39.849%0.48721%0.211SC..THydrogen-bonded Turntrans-71.8-22.2-173.1-70-173.4-178.3179.9-0.1115.2F478 H600 A630 M631F478-R711 HydrophobicContact CE2-CG 4.28Å; F478-R711 VanDerWaalsContact CE2-NE 3.31Å; F478-R711 HydrophobicContact CZ-CG 4.23Å; H600-R711 PolarHBondContact CE1-O 3.3Å; A630-R711 WeakPolarHBondContact CA-O 3.45Å; M631-R711 PolarHBondContact N-O 3.04Å
712N87Confident88.1Confident63 Ų6341.2 Ų41.234%0.33723%0.226SC..EExtended strand (participates in β ladder)trans-130.9136.5-176-65-68.1000110.1M631 R633 Q709 G710M631-N712 WeakPolarHBondContact O-CA 3.28Å; R633-N712 PolarHBondContact NE-OD1 3.33Å; R633-N712 PolarHBondContact NH2-OD1 3.2Å; R633-N712 VanDerWaalsContact NH2-OD1 3.11Å; Q709-N712 WeakPolarHBondContact CB-O 3.37Å; G710-N712 VanDerWaalsContact C-N 3.34Å; G710-N712 PolarHBondContact O-N 2.87Å
713I87.9Confident88.1Confident1 Ų142.2 Ų42.21%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-109.1115.2177.6-69.2167.9000108.4L124 A630 M631 V632 R633 Y706 T707 L715L124-I713 HydrophobicContact CD2-CD1 3.68Å; A630-I713 HydrophobicContact CB-CD1 3.79Å; A630-I713 HydrophobicContact CB-CG1 3.83Å; M631-I713 PolarHBondContact O-N 3.38Å; V632-I713 HydrophobicContact CG1-CG2 4.42Å; R633-I713 WeakPolarHBondContact CA-O 3.15Å; R633-I713 WeakPolarHBondContact CB-O 3.42Å; R633-I713 PolarHBondContact N-O 3.38Å; Y706-I713 HydrophobicContact CD1-CG2 3.69Å; Y706-I713 HydrophobicContact CG-CG2 4.06Å; T707-I713 HydrophobicContact CG2-CD1 4.27Å; I713-L715 HydrophobicContact CG2-CB 4.33Å; I713-L715 PolarHBondContact O-N 3.33Å
714N89.8Confident88.2Confident69 Ų6944 Ų4437%0.36924%0.236SC..EExtended strand (participates in β ladder)trans-88.797.8169.7-66.7-8.2000108.1G637 Y706G637-N714 WeakPolarHBondContact CA-OD1 3.05Å; Y706-N714 VanDerWaalsContact CE1-O 3.26Å; Y706-N714 WeakPolarHBondContact CE1-O 3.48Å
715L88.4Confident88.2Confident6 Ų649.9 Ų49.93%0.03126%0.262CS..  trans-81.8125.1-173.3-176.560.6000110.9L120 V632 R633 A635 L703 Y706 I713 I717 V720L120-L715 HydrophobicContact CB-CD2 4.13Å; L120-L715 HydrophobicContact CD1-CD2 3.58Å; L120-L715 HydrophobicContact CG-CD2 4.37Å; V632-L715 HydrophobicContact CG1-CB 3.95Å; V632-L715 HydrophobicContact CG1-CD2 4.08Å; R633-L715 PolarHBondContact O-N 3.42Å; R633-L715 VanDerWaalsContact O-N 3.09Å; A635-L715 PolarHBondContact N-O 3.26Å; L703-L715 HydrophobicContact CD2-CD1 4.34Å; L703-L715 HydrophobicContact CD2-CD2 3.68Å; Y706-L715 HydrophobicContact CD2-CD1 4.09Å; Y706-L715 HydrophobicContact CE1-CD1 4.46Å; Y706-L715 HydrophobicContact CE2-CD1 3.96Å; Y706-L715 HydrophobicContact CG-CD1 4.36Å; I713-L715 HydrophobicContact CG2-CB 4.33Å; I713-L715 PolarHBondContact O-N 3.33Å; L715-I717 HydrophobicContact CD2-CD1 4.41Å; L715-I717 HydrophobicContact CG-CD1 4.47Å; L715-V720 HydrophobicContact CD1-CG2 4.45Å
716D88.3Confident88.3Confident69 Ų6949.8 Ų49.837%0.36926%0.26SS..  trans-106.9116.9170.31786.5000108.9Y706 M718 R719Y706-D716 PolarHBondContact OH-N 3.35Å; D716-M718 PolarHBondContact O-N 3.49Å; D716-M718 VanDerWaalsContact OD1-CB 3.31Å; D716-M718 WeakPolarHBondContact OD1-CB 3.2Å; D716-M718 PolarHBondContact OD1-N 3.12Å; D716-R719 WeakPolarHBondContact O-CB 3.27Å; D716-R719 PolarHBondContact O-N 2.82Å
717I89.2Confident88.7Confident5 Ų549.2 Ų49.23%0.02626%0.258CS..Hα-helixtrans-61.8-27.7178.9-55.6-58000111.5L120 I648 V653 F687 I691 L715 R719 V720 Q721L120-I717 HydrophobicContact CD1-CD1 3.61Å; I648-I717 HydrophobicContact CD1-CD1 4.26Å; I648-I717 HydrophobicContact CD1-CG1 4.16Å; V653-I717 HydrophobicContact CG1-CG2 4.36Å; V653-I717 HydrophobicContact CG2-CD1 4.05Å; F687-I717 HydrophobicContact CE1-CB 3.88Å; F687-I717 HydrophobicContact CE1-CG1 3.71Å; F687-I717 HydrophobicContact CE1-CG2 4.43Å; F687-I717 HydrophobicContact CZ-CB 4.49Å; F687-I717 HydrophobicContact CZ-CG1 3.83Å; I691-I717 HydrophobicContact CG2-CG2 3.92Å; L715-I717 HydrophobicContact CD2-CD1 4.41Å; L715-I717 HydrophobicContact CG-CD1 4.47Å; I717-R719 PolarHBondContact O-N 2.81Å; I717-V720 WeakPolarHBondContact O-CA 3.14Å; I717-V720 VanDerWaalsContact O-CB 3.25Å; I717-V720 WeakPolarHBondContact O-CB 3.4Å; I717-V720 PolarHBondContact O-N 3.23Å; I717-Q721 PolarHBondContact O-N 3.03Å; I717-Q721 VanDerWaalsContact O-N 3.12Å
718M84.4Confident89.2Confident98 Ų9850.8 Ų50.848%0.48327%0.266SS..Hα-helixtrans-65.5-23.8175.9-60.9-56.4-63.200112.4D716 Q721 G722D716-M718 PolarHBondContact O-N 3.49Å; D716-M718 VanDerWaalsContact OD1-CB 3.31Å; D716-M718 WeakPolarHBondContact OD1-CB 3.2Å; D716-M718 PolarHBondContact OD1-N 3.12Å; M718-Q721 WeakPolarHBondContact O-CB 3.43Å; M718-Q721 PolarHBondContact O-N 3.14Å; M718-G722 PolarHBondContact O-N 3.46Å
719R87.4Confident90.1Very high103 Ų10350.8 Ų50.839%0.38925%0.253SS..Hα-helixtrans-75.5-31.4171.2-172.6155.9167.8-1486.5112.1Y706 D716 I717 Q721 G722 Y723Y706-R719 HydrophobicContact CE2-CB 3.94Å; Y706-R719 VanDerWaalsContact CE2-CD 3.43Å; Y706-R719 HydrophobicContact CE2-CG 3.72Å; Y706-R719 WeakPolarHBondContact OH-CB 3.26Å; Y706-R719 VanDerWaalsContact OH-CD 3.31Å; Y706-R719 WeakPolarHBondContact OH-CD 3.38Å; D716-R719 WeakPolarHBondContact O-CB 3.27Å; D716-R719 PolarHBondContact O-N 2.82Å; I717-R719 PolarHBondContact O-N 2.81Å; R719-Q721 VanDerWaalsContact C-N 3.29Å; R719-Q721 PolarHBondContact O-N 2.96Å; R719-G722 WeakPolarHBondContact O-CA 3.33Å; R719-G722 PolarHBondContact O-N 2.76Å; R719-G722 VanDerWaalsContact O-N 3.08Å; R719-Y723 HydrophobicContact CG-CE2 4.27Å; R719-Y723 WeakPolarHBondContact O-CD2 3.2Å; R719-Y723 PolarHBondContact O-N 2.9Å
720V94.3Very high91.3Very high0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-61.4-41.1170.6-1740000110.2V653 C694 A698 L699 A702 L715 I717 G722 Y723 R724V653-V720 HydrophobicContact CG1-CG1 4.02Å; C694-V720 HydrophobicContact CB-CG1 3.77Å; A698-V720 HydrophobicContact CB-CG1 4.27Å; L699-V720 HydrophobicContact CB-CG1 4.2Å; L699-V720 HydrophobicContact CD1-CG1 4.45Å; L699-V720 HydrophobicContact CD1-CG2 4.43Å; A702-V720 HydrophobicContact CB-CB 4.38Å; A702-V720 HydrophobicContact CB-CG1 4.46Å; A702-V720 HydrophobicContact CB-CG2 3.89Å; L715-V720 HydrophobicContact CD1-CG2 4.45Å; I717-V720 WeakPolarHBondContact O-CA 3.14Å; I717-V720 VanDerWaalsContact O-CB 3.25Å; I717-V720 WeakPolarHBondContact O-CB 3.4Å; I717-V720 PolarHBondContact O-N 3.23Å; V720-G722 PolarHBondContact O-N 3.27Å; V720-Y723 PolarHBondContact O-N 2.99Å; V720-R724 PolarHBondContact O-N 3.44Å; V720-R724 VanDerWaalsContact O-N 3.09Å
721Q93.4Very high92.3Very high47 Ų4744.3 Ų44.322%0.2221%0.21CC..Hα-helixtrans-59-35172.9-168.4-177.235.200112.6P692 I717 M718 R719 Y723 R724 F725P692-Q721 HydrophobicContact CG-CG 4.47Å; I717-Q721 PolarHBondContact O-N 3.03Å; I717-Q721 VanDerWaalsContact O-N 3.12Å; M718-Q721 WeakPolarHBondContact O-CB 3.43Å; M718-Q721 PolarHBondContact O-N 3.14Å; R719-Q721 VanDerWaalsContact C-N 3.29Å; R719-Q721 PolarHBondContact O-N 2.96Å; Q721-Y723 VanDerWaalsContact C-N 3.29Å; Q721-Y723 PolarHBondContact O-N 3.01Å; Q721-R724 VanDerWaalsContact O-CB 3.27Å; Q721-R724 WeakPolarHBondContact O-CB 3.34Å; Q721-R724 PolarHBondContact O-N 3.22Å; Q721-R724 VanDerWaalsContact O-N 3.1Å; Q721-F725 HydrophobicContact CG-CE1 4.39Å; Q721-F725 HydrophobicContact CG-CE2 4.16Å; Q721-F725 HydrophobicContact CG-CZ 3.88Å; Q721-F725 PolarHBondContact O-N 3.19Å; Q721-F725 VanDerWaalsContact O-N 3.14Å
722G93.7Very high92.9Very high31 Ų3141.4 Ų41.432%0.3220%0.204SC..Hα-helixtrans-57.6-40.5172.100000113M718 R719 V720 F725 F726M718-G722 PolarHBondContact O-N 3.46Å; R719-G722 WeakPolarHBondContact O-CA 3.33Å; R719-G722 PolarHBondContact O-N 2.76Å; R719-G722 VanDerWaalsContact O-N 3.08Å; V720-G722 PolarHBondContact O-N 3.27Å; G722-F725 WeakPolarHBondContact O-CB 3.27Å; G722-F725 PolarHBondContact O-N 3.02Å; G722-F726 PolarHBondContact O-N 3Å; G722-F726 VanDerWaalsContact O-N 3.11Å
723Y96.6Very high93.4Very high20 Ų2038.6 Ų38.68%0.07819%0.19CC..Hα-helixtrans-73.3-25.8174.9-70.9-77.3000113.1I701 A702 A705 R719 V720 Q721 F725 F726 C727 Y802I701-Y723 HydrophobicContact CD1-CD1 4.42Å; I701-Y723 HydrophobicContact CD1-CE1 4.4Å; I701-Y723 HydrophobicContact CG1-CD1 4.39Å; I701-Y723 HydrophobicContact CG1-CE1 4.27Å; I701-Y723 HydrophobicContact CG2-CD1 3.44Å; I701-Y723 VanDerWaalsContact CG2-CD1 3.44Å; I701-Y723 HydrophobicContact CG2-CD2 4.4Å; I701-Y723 HydrophobicContact CG2-CE1 4.08Å; I701-Y723 HydrophobicContact CG2-CG 3.61Å; A702-Y723 HydrophobicContact CB-CD2 3.5Å; A702-Y723 HydrophobicContact CB-CE2 3.79Å; A702-Y723 HydrophobicContact CB-CG 4.37Å; A705-Y723 VanDerWaalsContact CB-OH 3.27Å; A705-Y723 WeakPolarHBondContact CB-OH 3.48Å; R719-Y723 HydrophobicContact CG-CE2 4.27Å; R719-Y723 WeakPolarHBondContact O-CD2 3.2Å; R719-Y723 PolarHBondContact O-N 2.9Å; V720-Y723 PolarHBondContact O-N 2.99Å; Q721-Y723 VanDerWaalsContact C-N 3.29Å; Q721-Y723 PolarHBondContact O-N 3.01Å; Y723-F725 VanDerWaalsContact C-N 3.28Å; Y723-F725 PolarHBondContact O-N 2.8Å; Y723-F726 HydrophobicContact CD1-CD1 4.38Å; Y723-F726 WeakPolarHBondContact O-CA 3.32Å; Y723-F726 VanDerWaalsContact O-CB 3.3Å; Y723-F726 WeakPolarHBondContact O-CB 3.43Å; Y723-F726 PolarHBondContact O-N 2.86Å; Y723-F726 VanDerWaalsContact O-N 3.14Å; Y723-C727 PolarHBondContact O-N 2.87Å; Y723-C727 PolarHBondContact O-SG 3.32Å; Y723-Y802 HydrophobicContact CD1-CD2 4.36Å; Y723-Y802 HydrophobicContact CD1-CE2 4.5Å; Y723-Y802 AromaticContact CE1-CD2 3.99Å; Y723-Y802 HydrophobicContact CE1-CD2 3.99Å; Y723-Y802 HydrophobicContact CE1-CE2 4.33Å
724R96.6Very high93.7Very high38 Ų3838.6 Ų38.614%0.14319%0.19CC..Hα-helixtrans-62.4-36.9167.4-168.4-146.9-175.9-62.73.2111.7Y74 P76 E693 C694 A698 V720 Q721 F726 C727 N728Y74-R724 VanDerWaalsContact CD1-NH1 3.33Å; Y74-R724 HydrophobicContact CE1-CG 4.17Å; P76-R724 VanDerWaalsContact CD-NH2 3.34Å; E693-R724 WeakPolarHBondContact O-CD 3.47Å; E693-R724 PolarHBondContact O-NE 3.4Å; E693-R724 IonicContact OE2-NH2 2.72Å; C694-R724 WeakPolarHBondContact O-CG 3.41Å; A698-R724 HydrophobicContact CB-CB 4.16Å; V720-R724 PolarHBondContact O-N 3.44Å; V720-R724 VanDerWaalsContact O-N 3.09Å; Q721-R724 VanDerWaalsContact O-CB 3.27Å; Q721-R724 WeakPolarHBondContact O-CB 3.34Å; Q721-R724 PolarHBondContact O-N 3.22Å; Q721-R724 VanDerWaalsContact O-N 3.1Å; R724-F726 VanDerWaalsContact C-N 3.34Å; R724-C727 WeakPolarHBondContact O-CB 3.49Å; R724-C727 PolarHBondContact O-N 2.98Å; R724-N728 PolarHBondContact O-N 3.09Å; R724-N728 VanDerWaalsContact O-N 3.17Å
725F95.6Very high93.9Very high124 Ų12438.1 Ų38.154%0.54418%0.183SC..Hα-helixtrans-69.8-33.7173.1-57.3-36000112Q721 G722 Y723 N728 K729Q721-F725 HydrophobicContact CG-CE1 4.39Å; Q721-F725 HydrophobicContact CG-CE2 4.16Å; Q721-F725 HydrophobicContact CG-CZ 3.88Å; Q721-F725 PolarHBondContact O-N 3.19Å; Q721-F725 VanDerWaalsContact O-N 3.14Å; G722-F725 WeakPolarHBondContact O-CB 3.27Å; G722-F725 PolarHBondContact O-N 3.02Å; Y723-F725 VanDerWaalsContact C-N 3.28Å; Y723-F725 PolarHBondContact O-N 2.8Å; F725-N728 WeakPolarHBondContact O-CB 3.3Å; F725-N728 PolarHBondContact O-N 3.06Å; F725-K729 PolarHBondContact O-N 3.39Å
726F97.2Very high94.1Very high5 Ų539.6 Ų39.62%0.02219%0.188CC..Hα-helixtrans-61-45.6170.3-179.3-119.2000111.8I701 G722 Y723 R724 N728 K729 L730 Y802 W805 L856 M860I701-F726 HydrophobicContact CD1-CE1 4.25Å; G722-F726 PolarHBondContact O-N 3Å; G722-F726 VanDerWaalsContact O-N 3.11Å; Y723-F726 HydrophobicContact CD1-CD1 4.38Å; Y723-F726 WeakPolarHBondContact O-CA 3.32Å; Y723-F726 VanDerWaalsContact O-CB 3.3Å; Y723-F726 WeakPolarHBondContact O-CB 3.43Å; Y723-F726 PolarHBondContact O-N 2.86Å; Y723-F726 VanDerWaalsContact O-N 3.14Å; R724-F726 VanDerWaalsContact C-N 3.34Å; F726-N728 VanDerWaalsContact C-N 3.28Å; F726-N728 PolarHBondContact O-N 3.43Å; F726-K729 WeakPolarHBondContact O-CA 3.4Å; F726-K729 VanDerWaalsContact O-CB 3.31Å; F726-K729 WeakPolarHBondContact O-CB 3.36Å; F726-K729 PolarHBondContact O-N 3.35Å; F726-L730 HydrophobicContact CD1-CD1 4.38Å; F726-L730 HydrophobicContact CE1-CD1 4.04Å; F726-L730 HydrophobicContact CE1-CD2 4.39Å; F726-L730 HydrophobicContact CE1-CG 4.38Å; F726-L730 HydrophobicContact CE2-CD2 4.1Å; F726-L730 HydrophobicContact CE2-CG 4.5Å; F726-L730 HydrophobicContact CZ-CD1 4.36Å; F726-L730 HydrophobicContact CZ-CD2 3.88Å; F726-L730 HydrophobicContact CZ-CG 4.3Å; F726-L730 WeakPolarHBondContact O-CG 3.48Å; F726-L730 PolarHBondContact O-N 2.62Å; F726-Y802 HydrophobicContact CB-CD2 4.36Å; F726-Y802 HydrophobicContact CB-CE2 3.94Å; F726-Y802 HydrophobicContact CD1-CD2 4.02Å; F726-Y802 HydrophobicContact CD1-CE2 4.45Å; F726-Y802 AromaticContact CD2-CD2 3.61Å; F726-Y802 HydrophobicContact CD2-CD2 3.61Å; F726-Y802 AromaticContact CD2-CE2 3.66Å; F726-Y802 HydrophobicContact CD2-CE2 3.66Å; F726-Y802 HydrophobicContact CE1-CD2 4.18Å; F726-Y802 AromaticContact CE2-CD2 3.79Å; F726-Y802 HydrophobicContact CE2-CD2 3.79Å; F726-Y802 HydrophobicContact CE2-CE2 4.27Å; F726-Y802 HydrophobicContact CE2-CG 4.4Å; F726-Y802 AromaticContact CG-CD2 3.73Å; F726-Y802 HydrophobicContact CG-CD2 3.73Å; F726-Y802 AromaticContact CG-CE2 3.77Å; F726-Y802 HydrophobicContact CG-CE2 3.77Å; F726-Y802 HydrophobicContact CZ-CD2 4.08Å; F726-W805 HydrophobicContact CE2-CB 3.68Å; F726-W805 HydrophobicContact CZ-CB 3.77Å; F726-W805 HydrophobicContact CZ-CG 4.27Å; F726-L856 HydrophobicContact CE1-CD1 4.33Å; F726-L856 HydrophobicContact CE1-CD2 4.2Å; F726-L856 HydrophobicContact CZ-CD1 4.37Å; F726-M860 HydrophobicContact CD1-CE 4.24Å; F726-M860 HydrophobicContact CD1-SD 4.17Å; F726-M860 HydrophobicContact CE1-SD 3.96Å
727C98Very high94.4Very high0 Ų036.3 Ų36.30%017%0.17CC..Hα-helixtrans-52.9-45.3171.4-63.50000112.3Y74 Y723 R724 K729 L730 W731 M860 I863Y74-C727 HydrophobicContact CD1-CB 3.81Å; Y74-C727 HydrophobicContact CE1-CB 3.3Å; Y74-C727 HydrophobicContact CE2-CB 4.13Å; Y74-C727 HydrophobicContact CG-CB 4.42Å; Y74-C727 VanDerWaalsContact CZ-CB 3.48Å; Y723-C727 PolarHBondContact O-N 2.87Å; Y723-C727 PolarHBondContact O-SG 3.32Å; R724-C727 WeakPolarHBondContact O-CB 3.49Å; R724-C727 PolarHBondContact O-N 2.98Å; C727-K729 VanDerWaalsContact C-N 3.29Å; C727-K729 PolarHBondContact O-N 3.3Å; C727-L730 WeakPolarHBondContact O-CB 3.43Å; C727-L730 PolarHBondContact O-N 3.46Å; C727-W731 WeakPolarHBondContact O-CB 3.13Å; C727-W731 PolarHBondContact O-N 3.24Å; C727-M860 WeakPolarHBondContact SG-CE 3.47Å; C727-I863 HydrophobicContact CB-CD1 3.68Å; C727-I863 VanDerWaalsContact O-CD1 3.28Å; C727-I863 WeakPolarHBondContact O-CD1 3.29Å
728N96.3Very high94.5Very high53 Ų5336.5 Ų36.528%0.28317%0.172SC..Hα-helixtrans-64.5-31.7176.7-173.667.2000112.7Y74 R724 F725 F726 N732Y74-N728 WeakPolarHBondContact CB-OD1 3.48Å; Y74-N728 HydrophobicContact CD1-CB 4.21Å; R724-N728 PolarHBondContact O-N 3.09Å; R724-N728 VanDerWaalsContact O-N 3.17Å; F725-N728 WeakPolarHBondContact O-CB 3.3Å; F725-N728 PolarHBondContact O-N 3.06Å; F726-N728 VanDerWaalsContact C-N 3.28Å; F726-N728 PolarHBondContact O-N 3.43Å; N728-N732 PolarHBondContact ND2-ND2 3.26Å; N728-N732 VanDerWaalsContact O-CG 3.29Å; N728-N732 PolarHBondContact O-N 3.12Å; N728-N732 VanDerWaalsContact O-N 3.08Å; N728-N732 PolarHBondContact O-ND2 3.29Å
729K96.2Very high94.7Very high70 Ų7036 Ų3630%0.30417%0.167SC..Hα-helixtrans-67.4-46.3173.4-170.686.5178.5-160.10110.8F725 F726 C727 W731 N732 A733 L806 C810 D811F725-K729 PolarHBondContact O-N 3.39Å; F726-K729 WeakPolarHBondContact O-CA 3.4Å; F726-K729 VanDerWaalsContact O-CB 3.31Å; F726-K729 WeakPolarHBondContact O-CB 3.36Å; F726-K729 PolarHBondContact O-N 3.35Å; C727-K729 VanDerWaalsContact C-N 3.29Å; C727-K729 PolarHBondContact O-N 3.3Å; K729-W731 VanDerWaalsContact C-N 3.32Å; K729-W731 PolarHBondContact O-N 3.44Å; K729-N732 PolarHBondContact O-N 3.32Å; K729-A733 WeakPolarHBondContact O-CB 3.49Å; K729-A733 PolarHBondContact O-N 3.19Å; K729-L806 HydrophobicContact CD-CD1 4.03Å; K729-L806 HydrophobicContact CG-CD1 4.06Å; K729-C810 HydrophobicContact CD-CB 4.38Å; K729-C810 HydrophobicContact CG-CB 4.38Å; K729-D811 IonicContact NZ-OD1 3.62Å; K729-D811 PolarHBondContact NZ-OD1 3.16Å
730L97.8Very high94.8Very high0 Ų035 Ų350%017%0.166CC..Hα-helixtrans-56.4-47.1174.2-59.2178.4000111.3F726 C727 N732 A733 V734 W805 L856 M860 I863 L867F726-L730 HydrophobicContact CD1-CD1 4.38Å; F726-L730 HydrophobicContact CE1-CD1 4.04Å; F726-L730 HydrophobicContact CE1-CD2 4.39Å; F726-L730 HydrophobicContact CE1-CG 4.38Å; F726-L730 HydrophobicContact CE2-CD2 4.1Å; F726-L730 HydrophobicContact CE2-CG 4.5Å; F726-L730 HydrophobicContact CZ-CD1 4.36Å; F726-L730 HydrophobicContact CZ-CD2 3.88Å; F726-L730 HydrophobicContact CZ-CG 4.3Å; F726-L730 WeakPolarHBondContact O-CG 3.48Å; F726-L730 PolarHBondContact O-N 2.62Å; C727-L730 WeakPolarHBondContact O-CB 3.43Å; C727-L730 PolarHBondContact O-N 3.46Å; L730-N732 PolarHBondContact O-N 3.33Å; L730-A733 PolarHBondContact O-N 2.66Å; L730-V734 PolarHBondContact O-N 3.31Å; L730-W805 HydrophobicContact CD2-CB 3.81Å; L730-W805 HydrophobicContact CD2-CD2 3.16Å; L730-W805 HydrophobicContact CD2-CE3 3.28Å; L730-W805 HydrophobicContact CD2-CG 3.42Å; L730-W805 VanDerWaalsContact CD2-CG 3.42Å; L730-W805 HydrophobicContact CD2-CH2 4.37Å; L730-W805 HydrophobicContact CD2-CZ2 4.31Å; L730-W805 HydrophobicContact CD2-CZ3 3.91Å; L730-L856 HydrophobicContact CD1-CD1 3.69Å; L730-L856 HydrophobicContact CD2-CD1 4Å; L730-M860 HydrophobicContact CD1-CE 4.09Å; L730-M860 HydrophobicContact CD1-SD 4.3Å; L730-I863 HydrophobicContact CB-CD1 4.3Å; L730-I863 HydrophobicContact CD1-CG2 4.38Å; L730-L867 HydrophobicContact CB-CD1 4.08Å
731W97.4Very high94.5Very high0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-54.4-51.5176.9-176.7-90.1000111.9M70 P71 Y74 Y78 V79 C727 K729 R735 E866 L867M70-W731 HydrophobicContact CE-CB 4.49Å; M70-W731 HydrophobicContact CE-CD2 3.23Å; M70-W731 HydrophobicContact CE-CE3 3.52Å; M70-W731 HydrophobicContact CE-CG 3.7Å; M70-W731 HydrophobicContact CE-CH2 3.87Å; M70-W731 HydrophobicContact CE-CZ2 3.61Å; M70-W731 HydrophobicContact CE-CZ3 3.81Å; M70-W731 VanDerWaalsContact CE-O 3.29Å; M70-W731 WeakPolarHBondContact CE-O 3.32Å; M70-W731 HydrophobicContact CG-CH2 3.84Å; M70-W731 HydrophobicContact CG-CZ2 3.41Å; M70-W731 VanDerWaalsContact CG-CZ2 3.41Å; M70-W731 HydrophobicContact SD-CZ2 4.36Å; P71-W731 HydrophobicContact CB-CH2 4.49Å; P71-W731 HydrophobicContact CB-CZ2 3.76Å; P71-W731 HydrophobicContact CG-CH2 4.02Å; P71-W731 HydrophobicContact CG-CZ2 3.76Å; P71-W731 WeakPolarHBondContact O-CZ2 3.23Å; P71-W731 PolarHBondContact O-NE1 3.07Å; Y74-W731 HydrophobicContact CD2-CD2 4.4Å; Y74-W731 HydrophobicContact CD2-CE3 4.05Å; Y78-W731 HydrophobicContact CD1-CH2 4.36Å; Y78-W731 HydrophobicContact CE1-CH2 4.17Å; V79-W731 HydrophobicContact CG2-CE3 4.05Å; V79-W731 HydrophobicContact CG2-CH2 4.23Å; V79-W731 HydrophobicContact CG2-CZ3 3.51Å; C727-W731 WeakPolarHBondContact O-CB 3.13Å; C727-W731 PolarHBondContact O-N 3.24Å; K729-W731 VanDerWaalsContact C-N 3.32Å; K729-W731 PolarHBondContact O-N 3.44Å; W731-R735 WeakPolarHBondContact O-CB 3.39Å; W731-R735 PolarHBondContact O-N 3.31Å; W731-E866 HydrophobicContact CZ3-CG 3.92Å; W731-L867 HydrophobicContact CE3-CD2 4Å; W731-L867 HydrophobicContact CZ3-CD2 4.34Å
732N96.4Very high94.2Very high67 Ų6733 Ų3336%0.35816%0.158SC..Hα-helixtrans-69.3-33.9-178.6-69.4-37.7000112.9N728 K729 L730 Y736N728-N732 PolarHBondContact ND2-ND2 3.26Å; N728-N732 VanDerWaalsContact O-CG 3.29Å; N728-N732 PolarHBondContact O-N 3.12Å; N728-N732 VanDerWaalsContact O-N 3.08Å; N728-N732 PolarHBondContact O-ND2 3.29Å; K729-N732 PolarHBondContact O-N 3.32Å; L730-N732 PolarHBondContact O-N 3.33Å; N732-Y736 WeakPolarHBondContact O-CB 3.41Å; N732-Y736 PolarHBondContact O-N 2.98Å
733A96Very high93.6Very high5 Ų533.7 Ų33.74%0.04115%0.154CC..Hα-helixtrans-63.3-50.5175.900000111.8K729 L730 Y736 A737 W805 L814K729-A733 WeakPolarHBondContact O-CB 3.49Å; K729-A733 PolarHBondContact O-N 3.19Å; L730-A733 PolarHBondContact O-N 2.66Å; A733-Y736 PolarHBondContact O-N 3.05Å; A733-A737 PolarHBondContact O-N 2.68Å; A733-W805 HydrophobicContact CB-CZ3 4.03Å; A733-L814 HydrophobicContact CB-CD1 3.76Å
734V95.1Very high92.6Very high0 Ų040.5 Ų40.50%018%0.184CC..Hα-helixtrans-68.4-37.4178175.80000111.1L730 Y736 A737 L738 W805 I849 L867 L871L730-V734 PolarHBondContact O-N 3.31Å; V734-Y736 PolarHBondContact O-N 2.94Å; V734-A737 PolarHBondContact O-N 2.68Å; V734-L738 HydrophobicContact CG1-CD1 3.79Å; V734-L738 HydrophobicContact CG1-CG 4.12Å; V734-L738 WeakPolarHBondContact O-CB 3.42Å; V734-L738 VanDerWaalsContact O-CG 3.3Å; V734-L738 WeakPolarHBondContact O-CG 3.44Å; V734-L738 PolarHBondContact O-N 3.25Å; V734-W805 HydrophobicContact CG2-CH2 4.13Å; V734-W805 HydrophobicContact CG2-CZ3 4.46Å; V734-I849 HydrophobicContact CG2-CG2 3.85Å; V734-L867 HydrophobicContact CB-CD1 4.35Å; V734-L867 HydrophobicContact CB-CD2 3.94Å; V734-L867 HydrophobicContact CG1-CB 4.32Å; V734-L867 HydrophobicContact CG1-CD2 3.96Å; V734-L867 HydrophobicContact CG2-CB 4.32Å; V734-L867 HydrophobicContact CG2-CD1 3.92Å; V734-L867 HydrophobicContact CG2-CD2 4.36Å; V734-L867 HydrophobicContact CG2-CG 4.42Å; V734-L871 HydrophobicContact CG1-CD2 4.43Å
735R93.7Very high91.7Very high59 Ų5946.1 Ų46.122%0.22321%0.212CC..Hα-helixtrans-55.5-52.7171.3-174.4179.1167.3103.82.3110.7M70 P71 E72 W731 A737 L738 F739M70-R735 HydrophobicContact CE-CB 4.04Å; M70-R735 PolarHBondContact O-NH1 3.35Å; M70-R735 HydrophobicContact SD-CB 3.85Å; M70-R735 HydrophobicContact SD-CG 4.25Å; P71-R735 PolarHBondContact O-NH1 3.2Å; E72-R735 VanDerWaalsContact CA-NH1 3.28Å; W731-R735 WeakPolarHBondContact O-CB 3.39Å; W731-R735 PolarHBondContact O-N 3.31Å; R735-A737 VanDerWaalsContact C-N 3.31Å; R735-A737 PolarHBondContact O-N 3.23Å; R735-L738 PolarHBondContact O-N 3.22Å; R735-F739 HydrophobicContact CG-CD2 3.46Å; R735-F739 VanDerWaalsContact CG-CD2 3.46Å; R735-F739 HydrophobicContact CG-CE2 3.58Å; R735-F739 WeakPolarHBondContact O-CB 3.47Å; R735-F739 VanDerWaalsContact O-CD2 3.22Å; R735-F739 WeakPolarHBondContact O-CD2 3.46Å; R735-F739 PolarHBondContact O-N 3.1Å
736Y93.5Very high91.2Very high37 Ų3741 Ų4115%0.14519%0.189CC..Hα-helixtrans-54.4-47.2176.9166.6-92.4000111.8N732 A733 V734 F739 H740 L814 T817 K818N732-Y736 WeakPolarHBondContact O-CB 3.41Å; N732-Y736 PolarHBondContact O-N 2.98Å; A733-Y736 PolarHBondContact O-N 3.05Å; V734-Y736 PolarHBondContact O-N 2.94Å; Y736-F739 PolarHBondContact O-N 3.1Å; Y736-H740 HydrophobicContact CD2-CB 4.4Å; Y736-H740 AromaticContact CD2-CD2 3.37Å; Y736-H740 WeakPolarHBondContact CD2-CD2 3.38Å; Y736-H740 HydrophobicContact CE2-CB 4.1Å; Y736-H740 AromaticContact CE2-CD2 3.72Å; Y736-H740 WeakPolarHBondContact O-CB 3.2Å; Y736-H740 PolarHBondContact O-CD2 3.36Å; Y736-H740 PolarHBondContact O-N 2.92Å; Y736-L814 HydrophobicContact CD1-CD1 4.4Å; Y736-L814 HydrophobicContact CD1-CD2 3.83Å; Y736-L814 HydrophobicContact CE1-CD2 3.92Å; Y736-T817 PolarHBondContact OH-OG1 2.95Å; Y736-T817 VanDerWaalsContact OH-OG1 3.12Å; Y736-K818 HydrophobicContact CE2-CG 3.77Å; Y736-K818 WeakPolarHBondContact OH-CA 3.39Å; Y736-K818 VanDerWaalsContact OH-CG 3.28Å; Y736-K818 WeakPolarHBondContact OH-CG 3.32Å; Y736-K818 PolarHBondContact OH-N 2.71Å
737A93.5Very high90.6Very high0 Ų046.4 Ų46.40%022%0.217CC..Iπ-helixtrans-60.4-49.1178.500000111.9A733 V734 R735 F739 C741 L742 L845 I849A733-A737 PolarHBondContact O-N 2.68Å; V734-A737 PolarHBondContact O-N 2.68Å; R735-A737 VanDerWaalsContact C-N 3.31Å; R735-A737 PolarHBondContact O-N 3.23Å; A737-F739 VanDerWaalsContact C-N 3.35Å; A737-F739 PolarHBondContact O-N 2.9Å; A737-C741 CarbonylContact O-C 3.58Å; A737-C741 WeakPolarHBondContact O-CA 3.43Å; A737-C741 WeakPolarHBondContact O-CB 3.18Å; A737-C741 PolarHBondContact O-N 2.92Å; A737-L742 HydrophobicContact CB-CD1 4.09Å; A737-L742 HydrophobicContact CB-CG 4.39Å; A737-L742 WeakPolarHBondContact O-CG 3.25Å; A737-L742 PolarHBondContact O-N 3.49Å; A737-L845 HydrophobicContact CB-CD2 3.94Å; A737-L845 HydrophobicContact CB-CG 4.39Å; A737-I849 HydrophobicContact CB-CD1 3.39Å
738L91Very high90Very high10 Ų1047.4 Ų47.45%0.05222%0.224CC..Iπ-helixtrans-64.3-34.3-179.6-70.2172.2000113.9M70 V734 R735 L742 R870 L871 R874M70-L738 HydrophobicContact SD-CD1 4.15Å; V734-L738 HydrophobicContact CG1-CD1 3.79Å; V734-L738 HydrophobicContact CG1-CG 4.12Å; V734-L738 WeakPolarHBondContact O-CB 3.42Å; V734-L738 VanDerWaalsContact O-CG 3.3Å; V734-L738 WeakPolarHBondContact O-CG 3.44Å; V734-L738 PolarHBondContact O-N 3.25Å; R735-L738 PolarHBondContact O-N 3.22Å; L738-L742 HydrophobicContact CD2-CD1 4.49Å; L738-R870 HydrophobicContact CD1-CB 3.76Å; L738-L871 HydrophobicContact CD2-CD2 4.05Å; L738-R874 HydrophobicContact CD2-CG 3.62Å; L738-R874 PolarHBondContact O-NH1 3.39Å
739F88.6Confident89.6Confident87 Ų8745.7 Ų45.738%0.38222%0.215SC..Iπ-helixtrans-87.5-30.4-177.4-81.1-74.5000113.6M70 R735 Y736 A737M70-F739 HydrophobicContact CB-CE2 4.39Å; R735-F739 HydrophobicContact CG-CD2 3.46Å; R735-F739 VanDerWaalsContact CG-CD2 3.46Å; R735-F739 HydrophobicContact CG-CE2 3.58Å; R735-F739 WeakPolarHBondContact O-CB 3.47Å; R735-F739 VanDerWaalsContact O-CD2 3.22Å; R735-F739 WeakPolarHBondContact O-CD2 3.46Å; R735-F739 PolarHBondContact O-N 3.1Å; Y736-F739 PolarHBondContact O-N 3.1Å; A737-F739 VanDerWaalsContact C-N 3.35Å; A737-F739 PolarHBondContact O-N 2.9Å
740H89.1Confident89.1Confident82 Ų8247.5 Ų47.538%0.3823%0.228SC..Iπ-helixtrans-115.6-30.9-172.3-60.3-62.6000114.5Y736 I821Y736-H740 HydrophobicContact CD2-CB 4.4Å; Y736-H740 AromaticContact CD2-CD2 3.37Å; Y736-H740 WeakPolarHBondContact CD2-CD2 3.38Å; Y736-H740 HydrophobicContact CE2-CB 4.1Å; Y736-H740 AromaticContact CE2-CD2 3.72Å; Y736-H740 WeakPolarHBondContact O-CB 3.2Å; Y736-H740 PolarHBondContact O-CD2 3.36Å; Y736-H740 PolarHBondContact O-N 2.92Å; H740-I821 HydrophobicContact CB-CG2 4.15Å; H740-I821 WeakPolarHBondContact O-CG2 3.38Å
741C89Confident88.7Confident5 Ų548.5 Ų48.53%0.03423%0.234CC..Iπ-helixtrans-108-38.9-172.3-52.80000112.5A737 I821 C842 L845A737-C741 CarbonylContact O-C 3.58Å; A737-C741 WeakPolarHBondContact O-CA 3.43Å; A737-C741 WeakPolarHBondContact O-CB 3.18Å; A737-C741 PolarHBondContact O-N 2.92Å; C741-I821 HydrophobicContact CB-CD1 4.37Å; C741-C842 PolarHBondContact O-SG 2.86Å; C741-L845 HydrophobicContact CB-CD2 3.85Å
742L87.8Confident88.1Confident0 Ų054.2 Ų54.20%027%0.268CS..SBendtrans-110.961.9-171-47177.3000110.2A737 L738 F746 C842 Y846 L871 R874A737-L742 HydrophobicContact CB-CD1 4.09Å; A737-L742 HydrophobicContact CB-CG 4.39Å; A737-L742 WeakPolarHBondContact O-CG 3.25Å; A737-L742 PolarHBondContact O-N 3.49Å; L738-L742 HydrophobicContact CD2-CD1 4.49Å; L742-F746 HydrophobicContact CB-CD1 4.23Å; L742-F746 HydrophobicContact CB-CG 4.48Å; L742-F746 HydrophobicContact CD2-CD1 3.8Å; L742-F746 HydrophobicContact CD2-CD2 4.09Å; L742-F746 HydrophobicContact CD2-CE1 3.6Å; L742-F746 HydrophobicContact CD2-CE2 3.93Å; L742-F746 HydrophobicContact CD2-CG 4.03Å; L742-F746 HydrophobicContact CD2-CZ 3.67Å; L742-C842 HydrophobicContact CD2-CB 4.31Å; L742-Y846 HydrophobicContact CD1-CD2 4.06Å; L742-Y846 HydrophobicContact CD2-CD2 4.48Å; L742-L871 HydrophobicContact CD1-CD2 3.78Å; L742-R874 PolarHBondContact O-NH1 2.6Å
743D80.5Confident87.7Confident45 Ų4554.9 Ų54.924%0.24127%0.272CS..  trans-68-173.9176.763.124.9000112.3E745 F746 K824D743-E745 PolarHBondContact O-N 2.97Å; D743-E745 PolarHBondContact OD1-N 2.79Å; D743-E745 VanDerWaalsContact OD1-N 3.09Å; D743-F746 WeakPolarHBondContact O-CB 3.28Å; D743-F746 PolarHBondContact O-N 2.77Å; D743-F746 PolarHBondContact OD1-N 2.8Å; D743-F746 VanDerWaalsContact OD1-N 3.11Å; D743-K824 IonicContact OD2-NZ 3.25Å; D743-K824 PolarHBondContact OD2-NZ 3.3Å
744K75.1Confident87.4Confident163 Ų16355.1 Ų55.171%0.70927%0.272SS*.THydrogen-bonded Turntrans-71.2-17.4-176.4-66.6-176.9177.9-178.70113.5N877K744-N877 PolarHBondContact O-ND2 3.11Å
745E78.6Confident87.1Confident157 Ų15756.8 Ų56.873%0.73428%0.282SS*.THydrogen-bonded Turntrans-92-14.3-179.3-63.8175175.400111.7D743 I747D743-E745 PolarHBondContact O-N 2.97Å; D743-E745 PolarHBondContact OD1-N 2.79Å; D743-E745 VanDerWaalsContact OD1-N 3.09Å; E745-I747 PolarHBondContact O-N 2.7Å
746F84.5Confident86.9Confident15 Ų1557.1 Ų57.17%0.06629%0.293CS..  trans-60.1124.6177.4177.1-103.7000112L742 D743 P748 C842 Q843 Y846L742-F746 HydrophobicContact CB-CD1 4.23Å; L742-F746 HydrophobicContact CB-CG 4.48Å; L742-F746 HydrophobicContact CD2-CD1 3.8Å; L742-F746 HydrophobicContact CD2-CD2 4.09Å; L742-F746 HydrophobicContact CD2-CE1 3.6Å; L742-F746 HydrophobicContact CD2-CE2 3.93Å; L742-F746 HydrophobicContact CD2-CG 4.03Å; L742-F746 HydrophobicContact CD2-CZ 3.67Å; D743-F746 WeakPolarHBondContact O-CB 3.28Å; D743-F746 PolarHBondContact O-N 2.77Å; D743-F746 PolarHBondContact OD1-N 2.8Å; D743-F746 VanDerWaalsContact OD1-N 3.11Å; F746-P748 HydrophobicContact CD1-CB 4.46Å; F746-P748 VanDerWaalsContact CE1-CA 3.45Å; F746-P748 HydrophobicContact CE1-CB 3.75Å; F746-P748 HydrophobicContact CZ-CB 4.43Å; F746-P748 WeakPolarHBondContact O-CD 3.32Å; F746-C842 HydrophobicContact CD2-CB 3.9Å; F746-C842 HydrophobicContact CE2-CB 3.6Å; F746-Q843 HydrophobicContact CE2-CG 4.01Å; F746-Q843 HydrophobicContact CZ-CG 4.28Å; F746-Y846 AromaticContact CE1-CD2 3.76Å; F746-Y846 HydrophobicContact CE1-CD2 3.76Å; F746-Y846 HydrophobicContact CE1-CE2 4.42Å; F746-Y846 HydrophobicContact CE1-CG 4.07Å; F746-Y846 HydrophobicContact CZ-CD2 4.32Å; F746-Y846 HydrophobicContact CZ-CG 4.19Å
747I83.7Confident86.8Confident119 Ų11955.8 Ų55.861%0.6129%0.288SS*.  trans-98.4111.6172-56.3172.8000107.7E745E745-I747 PolarHBondContact O-N 2.7Å
748P85.8Confident86.7Confident21 Ų2155.8 Ų55.814%0.13629%0.288CS..  trans-68.4150.5177.324-28.4000111.9F746 Y846 S875F746-P748 HydrophobicContact CD1-CB 4.46Å; F746-P748 VanDerWaalsContact CE1-CA 3.45Å; F746-P748 HydrophobicContact CE1-CB 3.75Å; F746-P748 HydrophobicContact CZ-CB 4.43Å; F746-P748 WeakPolarHBondContact O-CD 3.32Å; P748-Y846 HydrophobicContact CB-CD1 4.35Å; P748-Y846 HydrophobicContact CB-CD2 4.33Å; P748-Y846 HydrophobicContact CB-CE1 3.95Å; P748-Y846 HydrophobicContact CB-CE2 3.92Å; P748-S875 WeakPolarHBondContact CG-OG 3.33Å
749P88.4Confident86.7Confident17 Ų1760.2 Ų60.211%0.1131%0.307CS..  trans-68.1154.8173.830-33.8000111.2M751 L757 Y846 V847P749-M751 HydrophobicContact CG-SD 4.29Å; P749-M751 PolarHBondContact O-N 2.71Å; P749-L757 HydrophobicContact CB-CD1 3.63Å; P749-L757 HydrophobicContact CB-CD2 3.83Å; P749-L757 HydrophobicContact CB-CG 4.4Å; P749-L757 HydrophobicContact CG-CD2 4.13Å; P749-Y846 HydrophobicContact CG-CD1 3.9Å; P749-Y846 HydrophobicContact CG-CE1 4.41Å; P749-V847 HydrophobicContact CG-CG2 3.76Å
750D86.3Confident86.8Confident108 Ų10861.5 Ų61.558%0.57831%0.314SS*.  trans-68.2115.5171.3-174.90.1000110.1T752D750-T752 VanDerWaalsContact OD1-CB 3.31Å; D750-T752 WeakPolarHBondContact OD1-CB 3.5Å; D750-T752 VanDerWaalsContact OD1-CG2 3.24Å; D750-T752 WeakPolarHBondContact OD1-CG2 3.26Å; D750-T752 PolarHBondContact OD1-N 3.35Å; D750-T752 PolarHBondContact OD1-OG1 3.06Å; D750-T752 PolarHBondContact OD2-OG1 3.06Å
751M87.9Confident87Confident22 Ų2257.6 Ų57.611%0.10830%0.296CS..  trans-9410.7-177.4-64.9-66.4-65.400113.2P749 L754 L757 Y846 V847 N850P749-M751 HydrophobicContact CG-SD 4.29Å; P749-M751 PolarHBondContact O-N 2.71Å; M751-L754 HydrophobicContact CE-CD2 3.66Å; M751-L754 HydrophobicContact SD-CD2 4.27Å; M751-L757 HydrophobicContact SD-CD2 4.03Å; M751-Y846 HydrophobicContact CG-CE1 3.83Å; M751-Y846 HydrophobicContact SD-CD1 4.31Å; M751-Y846 HydrophobicContact SD-CE1 4.07Å; M751-V847 HydrophobicContact CE-CG1 4.39Å; M751-V847 HydrophobicContact SD-CG2 3.79Å; M751-N850 HydrophobicContact CE-CB 3.78Å
752T84.9Confident87Confident119 Ų11960.9 Ų60.973%0.7331%0.312SS*.SBendtrans-76.9-43.618057.90000112.5D750D750-T752 VanDerWaalsContact OD1-CB 3.31Å; D750-T752 WeakPolarHBondContact OD1-CB 3.5Å; D750-T752 VanDerWaalsContact OD1-CG2 3.24Å; D750-T752 WeakPolarHBondContact OD1-CG2 3.26Å; D750-T752 PolarHBondContact OD1-N 3.35Å; D750-T752 PolarHBondContact OD1-OG1 3.06Å; D750-T752 PolarHBondContact OD2-OG1 3.06Å
753D88.2Confident87.1Confident82 Ų8268.1 Ų68.144%0.43935%0.346SS..  trans-115.689.8174-175.5-4.9000110.8N755 S756 L757D753-N755 VanDerWaalsContact C-N 3.27Å; D753-N755 PolarHBondContact O-N 3.02Å; D753-N755 WeakPolarHBondContact OD1-CB 3.33Å; D753-N755 PolarHBondContact OD1-N 3.26Å; D753-S756 VanDerWaalsContact CG-CB 3.46Å; D753-S756 PolarHBondContact O-N 3.11Å; D753-S756 PolarHBondContact OD1-N 3.15Å; D753-S756 VanDerWaalsContact OD2-CB 3.23Å; D753-S756 WeakPolarHBondContact OD2-CB 3.44Å; D753-L757 PolarHBondContact O-N 3.3Å; D753-L757 VanDerWaalsContact O-N 3.12Å
754L89.7Confident87.6Confident9 Ų968 Ų685%0.04734%0.344CS..Hα-helixtrans-60.4-35.7177.5-74.5177.5000112.4M751 L757 F758 D897M751-L754 HydrophobicContact CE-CD2 3.66Å; M751-L754 HydrophobicContact SD-CD2 4.27Å; L754-L757 PolarHBondContact O-N 3.37Å; L754-F758 HydrophobicContact CB-CD2 4.2Å; L754-F758 HydrophobicContact CB-CE2 3.83Å; L754-F758 HydrophobicContact CD2-CE2 4.28Å; L754-F758 HydrophobicContact CD2-CZ 4.2Å; L754-F758 HydrophobicContact CG-CE2 4.46Å; L754-F758 WeakPolarHBondContact O-CB 3.32Å; L754-F758 WeakPolarHBondContact O-CD2 3.41Å; L754-F758 WeakPolarHBondContact O-CG 3.41Å; L754-F758 PolarHBondContact O-N 3.45Å; L754-D897 HydrophobicContact CB-CB 3.91Å; L754-D897 HydrophobicContact CD1-CB 4.46Å
755N88.6Confident88.2Confident36 Ų3668 Ų6819%0.19335%0.352CS..Hα-helixtrans-66.9-45-176.9-171.8-88.2000111.1D753 F758 K759 N896D753-N755 VanDerWaalsContact C-N 3.27Å; D753-N755 PolarHBondContact O-N 3.02Å; D753-N755 WeakPolarHBondContact OD1-CB 3.33Å; D753-N755 PolarHBondContact OD1-N 3.26Å; N755-F758 PolarHBondContact O-N 3.1Å; N755-K759 WeakPolarHBondContact O-CG 3.41Å; N755-K759 PolarHBondContact O-N 3.37Å; N755-K759 WeakPolarHBondContact OD1-CE 3.39Å; N755-K759 PolarHBondContact OD1-NZ 3.12Å; N755-N896 PolarHBondContact ND2-O 3.45Å
756S90.1Very high88.8Confident65 Ų6561.9 Ų61.946%0.45532%0.324SS..Hα-helixtrans-62-46.3174.7-176.70000111.4D753 F758 K759 Q760D753-S756 VanDerWaalsContact CG-CB 3.46Å; D753-S756 PolarHBondContact O-N 3.11Å; D753-S756 PolarHBondContact OD1-N 3.15Å; D753-S756 VanDerWaalsContact OD2-CB 3.23Å; D753-S756 WeakPolarHBondContact OD2-CB 3.44Å; S756-F758 VanDerWaalsContact C-N 3.34Å; S756-F758 PolarHBondContact O-N 2.98Å; S756-K759 PolarHBondContact O-N 2.81Å; S756-Q760 PolarHBondContact O-N 3.24Å
757L91.7Very high89.1Confident10 Ų1062.8 Ų62.85%0.05233%0.33CS..Hα-helixtrans-58.9-43.4177.2-179.561.9000112.4P749 M751 D753 L754 Q760 F761 V847P749-L757 HydrophobicContact CB-CD1 3.63Å; P749-L757 HydrophobicContact CB-CD2 3.83Å; P749-L757 HydrophobicContact CB-CG 4.4Å; P749-L757 HydrophobicContact CG-CD2 4.13Å; M751-L757 HydrophobicContact SD-CD2 4.03Å; D753-L757 PolarHBondContact O-N 3.3Å; D753-L757 VanDerWaalsContact O-N 3.12Å; L754-L757 PolarHBondContact O-N 3.37Å; L757-Q760 WeakPolarHBondContact O-CB 3.42Å; L757-Q760 PolarHBondContact O-N 3.43Å; L757-F761 HydrophobicContact CD1-CE1 4.27Å; L757-F761 HydrophobicContact CD1-CE2 4.18Å; L757-F761 HydrophobicContact CD1-CZ 3.88Å; L757-F761 HydrophobicContact CD2-CE2 4.37Å; L757-F761 HydrophobicContact CG-CE2 3.95Å; L757-F761 HydrophobicContact CG-CZ 4.16Å; L757-F761 PolarHBondContact O-N 3.14Å; L757-V847 HydrophobicContact CD2-CG2 3.7Å
758F91.3Very high89.4Confident0 Ų057.2 Ų57.20%030%0.301CS..Hα-helixtrans-68.3-37178.5-69.3-41.5000113.2L754 N755 S756 Q760 F761 I762 L775 L778 V847 D897 V898 V900 L901L754-F758 HydrophobicContact CB-CD2 4.2Å; L754-F758 HydrophobicContact CB-CE2 3.83Å; L754-F758 HydrophobicContact CD2-CE2 4.28Å; L754-F758 HydrophobicContact CD2-CZ 4.2Å; L754-F758 HydrophobicContact CG-CE2 4.46Å; L754-F758 WeakPolarHBondContact O-CB 3.32Å; L754-F758 WeakPolarHBondContact O-CD2 3.41Å; L754-F758 WeakPolarHBondContact O-CG 3.41Å; L754-F758 PolarHBondContact O-N 3.45Å; N755-F758 PolarHBondContact O-N 3.1Å; S756-F758 VanDerWaalsContact C-N 3.34Å; S756-F758 PolarHBondContact O-N 2.98Å; F758-Q760 VanDerWaalsContact C-N 3.31Å; F758-Q760 PolarHBondContact O-N 2.85Å; F758-F761 HydrophobicContact CD1-CD2 4.18Å; F758-F761 PolarHBondContact O-N 3.22Å; F758-I762 WeakPolarHBondContact O-CG1 3.41Å; F758-I762 PolarHBondContact O-N 3.05Å; F758-L775 HydrophobicContact CD1-CD2 4.3Å; F758-L775 HydrophobicContact CE1-CD2 4.1Å; F758-L778 HydrophobicContact CZ-CD2 4.3Å; F758-V847 HydrophobicContact CE1-CG1 3.57Å; F758-V847 HydrophobicContact CZ-CG1 3.9Å; F758-D897 WeakPolarHBondContact CD2-O 3.33Å; F758-V898 HydrophobicContact CE2-CG1 3.76Å; F758-V898 HydrophobicContact CZ-CG1 4.4Å; F758-V900 HydrophobicContact CB-CG1 4.4Å; F758-L901 HydrophobicContact CB-CD1 4.28Å; F758-L901 HydrophobicContact CB-CD2 3.76Å; F758-L901 HydrophobicContact CB-CG 4.06Å; F758-L901 HydrophobicContact CD1-CD1 3.6Å; F758-L901 HydrophobicContact CD1-CD2 4.05Å; F758-L901 HydrophobicContact CD1-CG 4.25Å; F758-L901 HydrophobicContact CD2-CD1 3.76Å; F758-L901 HydrophobicContact CD2-CG 4.28Å; F758-L901 HydrophobicContact CE1-CD1 3.72Å; F758-L901 HydrophobicContact CE2-CD1 3.9Å; F758-L901 HydrophobicContact CG-CD1 3.62Å; F758-L901 HydrophobicContact CG-CD2 3.98Å; F758-L901 HydrophobicContact CG-CG 3.97Å; F758-L901 HydrophobicContact CZ-CD1 3.88Å
759K90.6Very high89.7Confident102 Ų10256.7 Ų56.744%0.44330%0.3SS..Hα-helixtrans-61.7-40.5171.7-76.6168.6174.1161.60111.6N755 S756 I762 Q763N755-K759 WeakPolarHBondContact O-CG 3.41Å; N755-K759 PolarHBondContact O-N 3.37Å; N755-K759 WeakPolarHBondContact OD1-CE 3.39Å; N755-K759 PolarHBondContact OD1-NZ 3.12Å; S756-K759 PolarHBondContact O-N 2.81Å; K759-I762 PolarHBondContact O-N 2.87Å; K759-Q763 WeakPolarHBondContact O-CB 3.32Å; K759-Q763 VanDerWaalsContact O-CG 3.31Å; K759-Q763 WeakPolarHBondContact O-CG 3.42Å; K759-Q763 PolarHBondContact O-N 3.37Å; K759-Q763 VanDerWaalsContact O-N 3.09Å
760Q91.1Very high89.9Confident114 Ų11455.9 Ų55.953%0.53329%0.294SS..Hα-helixtrans-61.4-43.3175.6-175.8-177.2-4.400111.6S756 L757 F758 Q763 H764S756-Q760 PolarHBondContact O-N 3.24Å; L757-Q760 WeakPolarHBondContact O-CB 3.42Å; L757-Q760 PolarHBondContact O-N 3.43Å; F758-Q760 VanDerWaalsContact C-N 3.31Å; F758-Q760 PolarHBondContact O-N 2.85Å; Q760-Q763 PolarHBondContact O-N 2.85Å; Q760-H764 PolarHBondContact O-N 3.15Å
761F92.8Very high90.3Very high1 Ų150.8 Ų50.80%0.00427%0.267CS..Hα-helixtrans-63.6-45.9175.6-69.4-32.6000112.7L757 F758 Q763 H764 L767 L775 L840 Q843 I844 V847L757-F761 HydrophobicContact CD1-CE1 4.27Å; L757-F761 HydrophobicContact CD1-CE2 4.18Å; L757-F761 HydrophobicContact CD1-CZ 3.88Å; L757-F761 HydrophobicContact CD2-CE2 4.37Å; L757-F761 HydrophobicContact CG-CE2 3.95Å; L757-F761 HydrophobicContact CG-CZ 4.16Å; L757-F761 PolarHBondContact O-N 3.14Å; F758-F761 HydrophobicContact CD1-CD2 4.18Å; F758-F761 PolarHBondContact O-N 3.22Å; F761-Q763 PolarHBondContact O-N 3.11Å; F761-H764 WeakPolarHBondContact O-CB 3.5Å; F761-H764 PolarHBondContact O-N 3.42Å; F761-L767 WeakPolarHBondContact O-CD2 3.14Å; F761-L775 HydrophobicContact CB-CD1 4.16Å; F761-L775 HydrophobicContact CD2-CD1 4.32Å; F761-L775 HydrophobicContact CD2-CD2 4.38Å; F761-L840 HydrophobicContact CD1-CD1 3.76Å; F761-L840 HydrophobicContact CE1-CD1 4.05Å; F761-Q843 HydrophobicContact CE1-CB 4.05Å; F761-Q843 HydrophobicContact CZ-CB 3.98Å; F761-I844 HydrophobicContact CD1-CG1 4.36Å; F761-I844 HydrophobicContact CD2-CG1 4.27Å; F761-I844 HydrophobicContact CE1-CG1 4.25Å; F761-I844 HydrophobicContact CE2-CG1 4.15Å; F761-I844 HydrophobicContact CG-CG1 4.39Å; F761-I844 HydrophobicContact CZ-CG1 4.15Å; F761-V847 HydrophobicContact CE2-CB 4.49Å; F761-V847 HydrophobicContact CE2-CG2 3.93Å; F761-V847 HydrophobicContact CZ-CG2 4.16Å
762I88.5Confident90.6Very high73 Ų7355.7 Ų55.737%0.37428%0.284SS..Hα-helixtrans-59.1-34179-68163000111.5F758 K759 H764 V900 L901F758-I762 WeakPolarHBondContact O-CG1 3.41Å; F758-I762 PolarHBondContact O-N 3.05Å; K759-I762 PolarHBondContact O-N 2.87Å; I762-H764 VanDerWaalsContact C-N 3.31Å; I762-V900 HydrophobicContact CD1-CG1 4.16Å; I762-V900 HydrophobicContact CD1-CG2 3.94Å; I762-L901 HydrophobicContact CD1-CD2 3.87Å; I762-L901 HydrophobicContact CG1-CD2 4.12Å
763Q89.9Confident91.1Very high152 Ų15250.6 Ų50.671%0.7125%0.252SS*.THydrogen-bonded Turntrans-84-2.4178.5-68174.5-2.100113.7K759 Q760 F761 N765K759-Q763 WeakPolarHBondContact O-CB 3.32Å; K759-Q763 VanDerWaalsContact O-CG 3.31Å; K759-Q763 WeakPolarHBondContact O-CG 3.42Å; K759-Q763 PolarHBondContact O-N 3.37Å; K759-Q763 VanDerWaalsContact O-N 3.09Å; Q760-Q763 PolarHBondContact O-N 2.85Å; F761-Q763 PolarHBondContact O-N 3.11Å; Q763-N765 PolarHBondContact O-N 3.48Å
764H91Very high91.5Very high42 Ų4246.7 Ų46.719%0.19423%0.231CC..  trans-77121.3-176.6-160.6-65.5000111.1Q760 F761 I762 L766 L767 E836 L840Q760-H764 PolarHBondContact O-N 3.15Å; F761-H764 WeakPolarHBondContact O-CB 3.5Å; F761-H764 PolarHBondContact O-N 3.42Å; I762-H764 VanDerWaalsContact C-N 3.31Å; H764-L766 PolarHBondContact ND1-N 3.37Å; H764-L766 PolarHBondContact O-N 3.35Å; H764-L766 VanDerWaalsContact O-N 3.13Å; H764-L767 HydrophobicContact CB-CB 4.45Å; H764-L767 VanDerWaalsContact O-CB 3.24Å; H764-L767 WeakPolarHBondContact O-CB 3.26Å; H764-L767 PolarHBondContact O-N 3.14Å; H764-E836 IonicContact CE1-OE1 3.66Å; H764-E836 PolarHBondContact CE1-OE1 3.24Å; H764-E836 IonicContact NE2-OE1 2.95Å; H764-L840 HydrophobicContact CB-CD1 4.42Å; H764-L840 HydrophobicContact CB-CD2 4.42Å
765N88.8Confident91.8Very high163 Ų16346.4 Ų46.487%0.87223%0.229SC*.THydrogen-bonded Turntrans-61.6-26.3-174.6-65.4-22.3000114.3Q763Q763-N765 PolarHBondContact O-N 3.48Å
766L90Very high92.2Very high30 Ų3044.7 Ų44.716%0.15722%0.22CC..THydrogen-bonded Turntrans-92.512.4177.1-54.9-179.1000114.5H764 S768 M833 E836 R837 L840H764-L766 PolarHBondContact ND1-N 3.37Å; H764-L766 PolarHBondContact O-N 3.35Å; H764-L766 VanDerWaalsContact O-N 3.13Å; L766-S768 PolarHBondContact O-N 3.23Å; L766-M833 HydrophobicContact CD1-CG 4.27Å; L766-M833 HydrophobicContact CD2-CE 3.59Å; L766-M833 HydrophobicContact CD2-CG 4.1Å; L766-E836 HydrophobicContact CD1-CB 3.81Å; L766-E836 HydrophobicContact CD1-CG 3.73Å; L766-R837 HydrophobicContact CD1-CB 4.47Å; L766-R837 PolarHBondContact O-NH1 3.27Å; L766-L840 HydrophobicContact CB-CD2 4.16Å; L766-L840 WeakPolarHBondContact O-CD2 3.44Å
767L91.6Very high92.5Very high34 Ų3443.5 Ų43.518%0.17821%0.206CC..  trans-74.1116.4177-169.179.1000110.1F761 H764 D771 R772 L775 L840 I844F761-L767 WeakPolarHBondContact O-CD2 3.14Å; H764-L767 HydrophobicContact CB-CB 4.45Å; H764-L767 VanDerWaalsContact O-CB 3.24Å; H764-L767 WeakPolarHBondContact O-CB 3.26Å; H764-L767 PolarHBondContact O-N 3.14Å; L767-D771 HydrophobicContact CD1-CB 3.44Å; L767-D771 VanDerWaalsContact CD1-CB 3.44Å; L767-D771 HydrophobicContact CG-CB 3.96Å; L767-R772 HydrophobicContact CD2-CB 4.1Å; L767-L775 HydrophobicContact CD1-CD1 4.39Å; L767-L840 HydrophobicContact CD1-CD2 4.46Å; L767-I844 HydrophobicContact CD1-CD1 3.77Å
768S91.2Very high92.8Very high2 Ų243 Ų431%0.01420%0.203CC..  trans-77.8164.8177.170.20000111.8L766 T770 D771 R772 Y816 R837L766-S768 PolarHBondContact O-N 3.23Å; S768-T770 PolarHBondContact O-N 3.33Å; S768-T770 PolarHBondContact OG-N 3.26Å; S768-D771 WeakPolarHBondContact CB-OD2 3.44Å; S768-D771 PolarHBondContact N-OD2 2.99Å; S768-D771 PolarHBondContact O-N 3.26Å; S768-D771 PolarHBondContact OG-N 2.97Å; S768-D771 VanDerWaalsContact OG-N 3.07Å; S768-D771 PolarHBondContact OG-OD2 3.07Å; S768-R772 PolarHBondContact O-N 2.91Å; S768-R772 VanDerWaalsContact O-N 3.07Å; S768-Y816 PolarHBondContact OG-OH 3.39Å; S768-Y816 VanDerWaalsContact OG-OH 3.04Å; S768-R837 PolarHBondContact OG-NH2 2.99Å
769G90.9Very high93.1Very high10 Ų1043 Ų4310%0.10320%0.203CC..Hα-helixtrans-60.3-29.3170.900000112.7W773 V907 G957 Y959G769-W773 WeakPolarHBondContact O-CB 3.31Å; G769-W773 PolarHBondContact O-N 3.11Å; G769-V907 WeakPolarHBondContact O-CG2 3.45Å; G769-G957 WeakPolarHBondContact CA-O 3.32Å; G769-G957 PolarHBondContact N-O 3.14Å; G769-Y959 PolarHBondContact O-OH 3.48Å
770T93.1Very high93.4Very high0 Ų041.7 Ų41.70%020%0.196CC..Hα-helixtrans-73-38.7178.3-52.30000112.2S768 W773 I774 Y813 Y816 F911 V963S768-T770 PolarHBondContact O-N 3.33Å; S768-T770 PolarHBondContact OG-N 3.26Å; T770-W773 WeakPolarHBondContact O-CB 3.15Å; T770-W773 PolarHBondContact O-N 3.44Å; T770-I774 PolarHBondContact O-N 3.49Å; T770-Y813 HydrophobicContact CG2-CD2 4.19Å; T770-Y813 HydrophobicContact CG2-CE2 4.45Å; T770-Y816 HydrophobicContact CG2-CD1 3.59Å; T770-Y816 HydrophobicContact CG2-CD2 4.11Å; T770-Y816 HydrophobicContact CG2-CE1 3.79Å; T770-Y816 HydrophobicContact CG2-CE2 4.32Å; T770-Y816 HydrophobicContact CG2-CG 3.72Å; T770-F911 HydrophobicContact CG2-CE2 3.83Å; T770-F911 HydrophobicContact CG2-CZ 4.23Å; T770-V963 HydrophobicContact CG2-CG2 3.76Å; T770-V963 WeakPolarHBondContact OG1-CG2 3.29Å
771D94.8Very high93.7Very high0 Ų036.3 Ų36.30%017%0.171CC..Hα-helixtrans-65-46.2174-61.7-38.7000111.1L767 S768 W773 I774 L775 Y813 R837 I844L767-D771 HydrophobicContact CD1-CB 3.44Å; L767-D771 VanDerWaalsContact CD1-CB 3.44Å; L767-D771 HydrophobicContact CG-CB 3.96Å; S768-D771 WeakPolarHBondContact CB-OD2 3.44Å; S768-D771 PolarHBondContact N-OD2 2.99Å; S768-D771 PolarHBondContact O-N 3.26Å; S768-D771 PolarHBondContact OG-N 2.97Å; S768-D771 VanDerWaalsContact OG-N 3.07Å; S768-D771 PolarHBondContact OG-OD2 3.07Å; D771-W773 VanDerWaalsContact C-N 3.25Å; D771-W773 PolarHBondContact O-N 3.31Å; D771-I774 WeakPolarHBondContact O-CG2 3.41Å; D771-I774 PolarHBondContact O-N 3.23Å; D771-L775 VanDerWaalsContact O-CG 3.31Å; D771-L775 WeakPolarHBondContact O-CG 3.39Å; D771-L775 PolarHBondContact O-N 2.88Å; D771-L775 VanDerWaalsContact O-N 3.11Å; D771-Y813 PolarHBondContact OD1-OH 3.3Å; D771-Y813 VanDerWaalsContact OD1-OH 3.1Å; D771-R837 VanDerWaalsContact CG-NH2 3.33Å; D771-R837 IonicContact OD1-NH1 3.44Å; D771-R837 IonicContact OD1-NH2 3.68Å; D771-R837 PolarHBondContact OD1-NH2 3.49Å; D771-R837 IonicContact OD2-CZ 3.38Å; D771-R837 IonicContact OD2-NH1 2.57Å; D771-R837 PolarHBondContact OD2-NH1 2.83Å; D771-R837 IonicContact OD2-NH2 3.45Å; D771-R837 PolarHBondContact OD2-NH2 2.81Å; D771-I844 HydrophobicContact CB-CD1 3.8Å
772R93.9Very high93.9Very high125 Ų12536.3 Ų36.347%0.47217%0.171SC..Hα-helixtrans-61.5-38.1176-175.5179.2171.4163.3-4.3111L767 S768 S776 D903 V907L767-R772 HydrophobicContact CD2-CB 4.1Å; S768-R772 PolarHBondContact O-N 2.91Å; S768-R772 VanDerWaalsContact O-N 3.07Å; R772-S776 WeakPolarHBondContact O-CB 3.12Å; R772-S776 PolarHBondContact O-N 3.47Å; R772-D903 IonicContact CZ-OD2 2.84Å; R772-D903 VanDerWaalsContact CZ-OD2 3.28Å; R772-D903 IonicContact NE-OD2 3.62Å; R772-D903 PolarHBondContact NE-OD2 2.89Å; R772-D903 IonicContact NH2-OD2 3.68Å; R772-D903 PolarHBondContact NH2-OD2 2.92Å; R772-V907 HydrophobicContact CB-CG2 3.96Å; R772-V907 HydrophobicContact CG-CB 4.17Å; R772-V907 HydrophobicContact CG-CG1 4.17Å; R772-V907 HydrophobicContact CG-CG2 3.92Å
773W95.2Very high94.4Very high12 Ų1234.6 Ų34.65%0.04516%0.163CC..Hα-helixtrans-60.7-53.6174.2169.377.4000112.2G769 T770 D771 L775 S776 R777 E808 V812 V907 F911G769-W773 WeakPolarHBondContact O-CB 3.31Å; G769-W773 PolarHBondContact O-N 3.11Å; T770-W773 WeakPolarHBondContact O-CB 3.15Å; T770-W773 PolarHBondContact O-N 3.44Å; D771-W773 VanDerWaalsContact C-N 3.25Å; D771-W773 PolarHBondContact O-N 3.31Å; W773-L775 PolarHBondContact O-N 3.15Å; W773-S776 WeakPolarHBondContact O-CB 3.47Å; W773-S776 PolarHBondContact O-N 3.06Å; W773-S776 VanDerWaalsContact O-N 3.08Å; W773-R777 HydrophobicContact CD2-CG 4.09Å; W773-R777 HydrophobicContact CG-CG 4.32Å; W773-R777 HydrophobicContact CZ2-CG 3.92Å; W773-R777 WeakPolarHBondContact O-CG 3.31Å; W773-R777 PolarHBondContact O-N 3.03Å; W773-E808 HydrophobicContact CH2-CB 4.02Å; W773-E808 HydrophobicContact CH2-CG 4.5Å; W773-E808 HydrophobicContact CZ2-CB 4.32Å; W773-E808 HydrophobicContact CZ2-CG 4.34Å; W773-V812 HydrophobicContact CH2-CB 3.81Å; W773-V812 HydrophobicContact CH2-CG1 3.69Å; W773-V812 HydrophobicContact CH2-CG2 4.25Å; W773-V812 HydrophobicContact CZ3-CB 4.05Å; W773-V812 HydrophobicContact CZ3-CG1 3.61Å; W773-V907 HydrophobicContact CB-CG2 4.06Å; W773-F911 HydrophobicContact CB-CB 4.2Å; W773-F911 HydrophobicContact CB-CD2 3.77Å; W773-F911 HydrophobicContact CB-CE2 4.32Å; W773-F911 HydrophobicContact CB-CG 3.99Å; W773-F911 AromaticContact CD1-CD1 3.64Å; W773-F911 AromaticContact CD1-CG 3.38Å; W773-F911 HydrophobicContact CD2-CB 4.36Å; W773-F911 AromaticContact CD2-CD1 3.44Å; W773-F911 HydrophobicContact CD2-CD1 3.44Å; W773-F911 VanDerWaalsContact CD2-CD1 3.44Å; W773-F911 AromaticContact CD2-CD2 3.86Å; W773-F911 HydrophobicContact CD2-CD2 3.86Å; W773-F911 AromaticContact CD2-CE1 3.51Å; W773-F911 HydrophobicContact CD2-CE1 3.51Å; W773-F911 AromaticContact CD2-CE2 3.95Å; W773-F911 HydrophobicContact CD2-CE2 3.95Å; W773-F911 AromaticContact CD2-CG 3.61Å; W773-F911 HydrophobicContact CD2-CG 3.61Å; W773-F911 AromaticContact CD2-CZ 3.77Å; W773-F911 HydrophobicContact CD2-CZ 3.77Å; W773-F911 AromaticContact CE2-CD1 3.18Å; W773-F911 AromaticContact CE2-CE1 3.41Å; W773-F911 VanDerWaalsContact CE2-CE1 3.41Å; W773-F911 AromaticContact CE2-CG 3.76Å; W773-F911 HydrophobicContact CE3-CD1 4.09Å; W773-F911 HydrophobicContact CE3-CD2 4.3Å; W773-F911 AromaticContact CE3-CE1 3.66Å; W773-F911 HydrophobicContact CE3-CE1 3.66Å; W773-F911 AromaticContact CE3-CE2 3.91Å; W773-F911 HydrophobicContact CE3-CE2 3.91Å; W773-F911 HydrophobicContact CE3-CG 4.38Å; W773-F911 AromaticContact CE3-CZ 3.56Å; W773-F911 HydrophobicContact CE3-CZ 3.56Å; W773-F911 HydrophobicContact CG-CB 3.7Å; W773-F911 AromaticContact CG-CD1 3.72Å; W773-F911 HydrophobicContact CG-CD1 3.72Å; W773-F911 AromaticContact CG-CD2 3.61Å; W773-F911 HydrophobicContact CG-CD2 3.61Å; W773-F911 HydrophobicContact CG-CE1 4.21Å; W773-F911 HydrophobicContact CG-CE2 4.14Å; W773-F911 AromaticContact CG-CG 3.37Å; W773-F911 HydrophobicContact CG-CG 3.37Å; W773-F911 HydrophobicContact CG-CZ 4.4Å; W773-F911 HydrophobicContact CH2-CD1 4.26Å; W773-F911 AromaticContact CH2-CE1 3.64Å; W773-F911 HydrophobicContact CH2-CE1 3.64Å; W773-F911 HydrophobicContact CH2-CZ 4.17Å; W773-F911 AromaticContact CZ2-CD1 3.65Å; W773-F911 HydrophobicContact CZ2-CD1 3.65Å; W773-F911 AromaticContact CZ2-CE1 3.49Å; W773-F911 HydrophobicContact CZ2-CE1 3.49Å; W773-F911 VanDerWaalsContact CZ2-CE1 3.49Å; W773-F911 HydrophobicContact CZ2-CZ 4.36Å; W773-F911 HydrophobicContact CZ3-CD1 4.46Å; W773-F911 AromaticContact CZ3-CE1 3.72Å; W773-F911 HydrophobicContact CZ3-CE1 3.72Å; W773-F911 AromaticContact CZ3-CZ 3.78Å; W773-F911 HydrophobicContact CZ3-CZ 3.78Å; W773-F911 AromaticContact NE1-CD1 3.29Å; W773-F911 VanDerWaalsContact NE1-CD1 3.29Å; W773-F911 AromaticContact NE1-CG 3.58Å
774I96.7Very high94.7Very high0 Ų029.7 Ų29.70%014%0.139CC..Hα-helixtrans-63.2-33.4-177.3-16860.9000112T770 D771 R777 L778 F804 E808 Y813 I844T770-I774 PolarHBondContact O-N 3.49Å; D771-I774 WeakPolarHBondContact O-CG2 3.41Å; D771-I774 PolarHBondContact O-N 3.23Å; I774-R777 PolarHBondContact O-N 2.74Å; I774-L778 WeakPolarHBondContact O-CB 3.45Å; I774-L778 PolarHBondContact O-N 3.36Å; I774-F804 HydrophobicContact CD1-CE2 3.9Å; I774-F804 HydrophobicContact CG1-CE2 4.48Å; I774-E808 HydrophobicContact CD1-CB 4.21Å; I774-Y813 HydrophobicContact CB-CD2 3.62Å; I774-Y813 HydrophobicContact CB-CE2 3.96Å; I774-Y813 HydrophobicContact CB-CG 3.96Å; I774-Y813 HydrophobicContact CD1-CG 4.32Å; I774-Y813 HydrophobicContact CG1-CD1 4.13Å; I774-Y813 HydrophobicContact CG1-CD2 4.01Å; I774-Y813 HydrophobicContact CG1-CG 3.78Å; I774-Y813 HydrophobicContact CG2-CD1 4.32Å; I774-Y813 HydrophobicContact CG2-CD2 3.52Å; I774-Y813 HydrophobicContact CG2-CE1 4.12Å; I774-Y813 HydrophobicContact CG2-CE2 3.28Å; I774-Y813 HydrophobicContact CG2-CG 4.04Å; I774-I844 HydrophobicContact CG2-CG2 3.9Å
775L96.6Very high95.1Very high3 Ų327.7 Ų27.72%0.01613%0.13CC..Hα-helixtrans-66.6-42.2174.7-71.1172.7000111.6F758 F761 L767 D771 W773 R777 L778 A779 I844 L901F758-L775 HydrophobicContact CD1-CD2 4.3Å; F758-L775 HydrophobicContact CE1-CD2 4.1Å; F761-L775 HydrophobicContact CB-CD1 4.16Å; F761-L775 HydrophobicContact CD2-CD1 4.32Å; F761-L775 HydrophobicContact CD2-CD2 4.38Å; L767-L775 HydrophobicContact CD1-CD1 4.39Å; D771-L775 VanDerWaalsContact O-CG 3.31Å; D771-L775 WeakPolarHBondContact O-CG 3.39Å; D771-L775 PolarHBondContact O-N 2.88Å; D771-L775 VanDerWaalsContact O-N 3.11Å; W773-L775 PolarHBondContact O-N 3.15Å; L775-R777 VanDerWaalsContact C-N 3.33Å; L775-R777 PolarHBondContact O-N 3.46Å; L775-L778 PolarHBondContact O-N 3.26Å; L775-A779 PolarHBondContact O-N 3.49Å; L775-I844 HydrophobicContact CD2-CG2 4.07Å; L775-I844 HydrophobicContact CG-CG2 4.22Å; L775-L901 HydrophobicContact CB-CD1 4.25Å; L775-L901 HydrophobicContact CB-CD2 4.02Å; L775-L901 HydrophobicContact CD1-CD2 4.36Å
776S96.1Very high95.5Very high0 Ų020.3 Ų20.30%09%0.091CC..Hα-helixtrans-64.1-38174-172.50000112.3R772 W773 A779 Y780 L901 D903 E908R772-S776 WeakPolarHBondContact O-CB 3.12Å; R772-S776 PolarHBondContact O-N 3.47Å; W773-S776 WeakPolarHBondContact O-CB 3.47Å; W773-S776 PolarHBondContact O-N 3.06Å; W773-S776 VanDerWaalsContact O-N 3.08Å; S776-A779 WeakPolarHBondContact O-CB 3.29Å; S776-A779 PolarHBondContact O-N 3.35Å; S776-Y780 PolarHBondContact O-N 2.93Å; S776-L901 VanDerWaalsContact CA-O 3.3Å; S776-L901 WeakPolarHBondContact CA-O 3.38Å; S776-L901 VanDerWaalsContact CB-O 3.22Å; S776-L901 WeakPolarHBondContact CB-O 3.48Å; S776-L901 PolarHBondContact OG-O 3.36Å; S776-D903 PolarHBondContact OG-N 2.89Å; S776-E908 VanDerWaalsContact CB-OE1 3.27Å; S776-E908 WeakPolarHBondContact CB-OE1 3.49Å; S776-E908 PolarHBondContact OG-OE1 2.67Å
777R97.3Very high95.9Very high40 Ų4020.6 Ų20.615%0.1519%0.094CC..Hα-helixtrans-69-37.7174.6-64.3-43.6-62.2167.62.5113.1W773 I774 L775 A779 Y780 A781 E808 E908W773-R777 HydrophobicContact CD2-CG 4.09Å; W773-R777 HydrophobicContact CG-CG 4.32Å; W773-R777 HydrophobicContact CZ2-CG 3.92Å; W773-R777 WeakPolarHBondContact O-CG 3.31Å; W773-R777 PolarHBondContact O-N 3.03Å; I774-R777 PolarHBondContact O-N 2.74Å; L775-R777 VanDerWaalsContact C-N 3.33Å; L775-R777 PolarHBondContact O-N 3.46Å; R777-A779 VanDerWaalsContact C-N 3.33Å; R777-Y780 VanDerWaalsContact NH2-CD1 3.34Å; R777-Y780 WeakPolarHBondContact O-CB 3.34Å; R777-Y780 PolarHBondContact O-N 3.13Å; R777-A781 PolarHBondContact O-N 3.11Å; R777-E808 WeakPolarHBondContact CB-OE2 3.34Å; R777-E808 IonicContact CZ-OE1 2.97Å; R777-E808 IonicContact NE-OE1 3.97Å; R777-E808 PolarHBondContact NE-OE1 2.9Å; R777-E808 IonicContact NE-OE2 3.62Å; R777-E808 IonicContact NH2-OE1 2.75Å; R777-E808 PolarHBondContact NH2-OE1 2.79Å; R777-E908 WeakPolarHBondContact CD-OE1 3.32Å; R777-E908 IonicContact CZ-OE2 3.77Å; R777-E908 IonicContact NH1-OE1 2.87Å; R777-E908 IonicContact NH1-OE2 3.77Å; R777-E908 PolarHBondContact NH1-OE2 2.78Å
778L97.5Very high96.1Very high0 Ų019 Ų190%09%0.086CC..Hα-helixtrans-60.1-44.8170175.463.2000110.8F758 I774 L775 Y780 A781 V782 F804 V847 C851F758-L778 HydrophobicContact CZ-CD2 4.3Å; I774-L778 WeakPolarHBondContact O-CB 3.45Å; I774-L778 PolarHBondContact O-N 3.36Å; L775-L778 PolarHBondContact O-N 3.26Å; L778-Y780 VanDerWaalsContact C-N 3.33Å; L778-Y780 PolarHBondContact O-N 2.95Å; L778-A781 WeakPolarHBondContact O-CB 3.27Å; L778-A781 PolarHBondContact O-N 3.26Å; L778-A781 VanDerWaalsContact O-N 3.17Å; L778-V782 HydrophobicContact CD1-CG2 4.45Å; L778-V782 WeakPolarHBondContact O-CG2 3.4Å; L778-V782 PolarHBondContact O-N 2.96Å; L778-F804 HydrophobicContact CB-CE2 3.74Å; L778-F804 HydrophobicContact CB-CZ 4.03Å; L778-F804 HydrophobicContact CD1-CE1 4.03Å; L778-F804 HydrophobicContact CD1-CE2 4.08Å; L778-F804 HydrophobicContact CD1-CZ 3.66Å; L778-F804 HydrophobicContact CG-CZ 4.39Å; L778-V847 HydrophobicContact CD2-CG1 4.32Å; L778-C851 HydrophobicContact CD1-CB 3.77Å; L778-C851 HydrophobicContact CD2-CB 4.07Å; L778-C851 HydrophobicContact CG-CB 4.44Å
779A96.7Very high96.4Very high0 Ų019.3 Ų19.30%09%0.087CC..Hα-helixtrans-60.5-42.9176.900000112.1L775 S776 R777 A781 V782 I783 V898 L901 R902L775-A779 PolarHBondContact O-N 3.49Å; S776-A779 WeakPolarHBondContact O-CB 3.29Å; S776-A779 PolarHBondContact O-N 3.35Å; R777-A779 VanDerWaalsContact C-N 3.33Å; A779-A781 VanDerWaalsContact C-N 3.35Å; A779-A781 PolarHBondContact O-N 2.91Å; A779-V782 PolarHBondContact O-N 3Å; A779-I783 VanDerWaalsContact O-CG1 3.26Å; A779-I783 WeakPolarHBondContact O-CG1 3.47Å; A779-I783 PolarHBondContact O-N 3.25Å; A779-V898 HydrophobicContact CB-CB 3.8Å; A779-V898 HydrophobicContact CB-CG2 4.19Å; A779-V898 WeakPolarHBondContact CB-O 3.36Å; A779-L901 HydrophobicContact CB-CB 3.82Å; A779-L901 HydrophobicContact CB-CD1 4.34Å; A779-R902 HydrophobicContact CB-CB 4.47Å
780Y96.9Very high96.7Very high74 Ų7423.8 Ų23.829%0.2911%0.107SC..Hα-helixtrans-56.4-48172.3-178-105.3000112.2S776 R777 L778 V782 I783 Q784S776-Y780 PolarHBondContact O-N 2.93Å; R777-Y780 VanDerWaalsContact NH2-CD1 3.34Å; R777-Y780 WeakPolarHBondContact O-CB 3.34Å; R777-Y780 PolarHBondContact O-N 3.13Å; L778-Y780 VanDerWaalsContact C-N 3.33Å; L778-Y780 PolarHBondContact O-N 2.95Å; Y780-V782 VanDerWaalsContact C-N 3.32Å; Y780-V782 PolarHBondContact O-N 3.18Å; Y780-I783 PolarHBondContact O-N 2.61Å; Y780-Q784 HydrophobicContact CD1-CG 4.12Å; Y780-Q784 HydrophobicContact CD2-CG 4.12Å; Y780-Q784 HydrophobicContact CE1-CG 3.71Å; Y780-Q784 HydrophobicContact CE2-CG 3.71Å; Y780-Q784 HydrophobicContact CG-CG 4.31Å; Y780-Q784 VanDerWaalsContact CZ-CG 3.48Å; Y780-Q784 WeakPolarHBondContact O-CB 3.16Å; Y780-Q784 VanDerWaalsContact O-CG 3.31Å; Y780-Q784 WeakPolarHBondContact O-CG 3.46Å; Y780-Q784 PolarHBondContact O-N 3.47Å
781A98.1Very high96.8Very high2 Ų229 Ų292%0.01713%0.131CC..Hα-helixtrans-59.6-43.2178.400000111.8R777 L778 A779 Q784 C785 F804 L855R777-A781 PolarHBondContact O-N 3.11Å; L778-A781 WeakPolarHBondContact O-CB 3.27Å; L778-A781 PolarHBondContact O-N 3.26Å; L778-A781 VanDerWaalsContact O-N 3.17Å; A779-A781 VanDerWaalsContact C-N 3.35Å; A779-A781 PolarHBondContact O-N 2.91Å; A781-Q784 PolarHBondContact O-N 3.03Å; A781-C785 VanDerWaalsContact O-CB 3.28Å; A781-C785 WeakPolarHBondContact O-CB 3.46Å; A781-C785 PolarHBondContact O-N 2.88Å; A781-C785 PolarHBondContact O-SG 3.34Å; A781-F804 HydrophobicContact CB-CB 3.92Å; A781-F804 HydrophobicContact CB-CD2 4.34Å; A781-F804 HydrophobicContact CB-CG 4.13Å; A781-L855 HydrophobicContact CB-CD1 4.02Å
782V98.1Very high96.8Very high0 Ų030.3 Ų30.30%014%0.137CC..Hα-helixtrans-62.4-44.7176.3171.90000111.8L778 A779 Y780 N786 L855 P893 V898L778-V782 HydrophobicContact CD1-CG2 4.45Å; L778-V782 WeakPolarHBondContact O-CG2 3.4Å; L778-V782 PolarHBondContact O-N 2.96Å; A779-V782 PolarHBondContact O-N 3Å; Y780-V782 VanDerWaalsContact C-N 3.32Å; Y780-V782 PolarHBondContact O-N 3.18Å; V782-N786 WeakPolarHBondContact O-CB 3.32Å; V782-N786 PolarHBondContact O-N 2.89Å; V782-N786 VanDerWaalsContact O-N 3.13Å; V782-N786 PolarHBondContact O-ND2 3.41Å; V782-L855 HydrophobicContact CG2-CD1 3.83Å; V782-L855 HydrophobicContact CG2-CD2 4.08Å; V782-L855 HydrophobicContact CG2-CG 4.31Å; V782-P893 HydrophobicContact CB-CB 4.49Å; V782-P893 HydrophobicContact CG1-CB 3.89Å; V782-P893 HydrophobicContact CG2-CB 3.72Å; V782-V898 HydrophobicContact CB-CG1 4.2Å; V782-V898 HydrophobicContact CB-CG2 3.87Å; V782-V898 HydrophobicContact CG1-CB 4.49Å; V782-V898 HydrophobicContact CG1-CG1 4.1Å; V782-V898 HydrophobicContact CG1-CG2 3.61Å; V782-V898 HydrophobicContact CG2-CG1 4.06Å
783I97.4Very high96.8Very high38 Ų3828.5 Ų28.520%0.19513%0.134CC..Hα-helixtrans-61.8-49.7178.2-68.7163.1000110.5A779 Y780 N786 T787 L895 V898 R902A779-I783 VanDerWaalsContact O-CG1 3.26Å; A779-I783 WeakPolarHBondContact O-CG1 3.47Å; A779-I783 PolarHBondContact O-N 3.25Å; Y780-I783 PolarHBondContact O-N 2.61Å; I783-N786 PolarHBondContact O-N 3.43Å; I783-T787 WeakPolarHBondContact O-CB 3.34Å; I783-T787 PolarHBondContact O-N 3.12Å; I783-T787 PolarHBondContact O-OG1 2.78Å; I783-L895 HydrophobicContact CG1-CG 4.45Å; I783-V898 HydrophobicContact CG1-CG2 4.39Å; I783-R902 HydrophobicContact CD1-CG 4.45Å
784Q97.7Very high96.9Very high48 Ų4827.9 Ų27.922%0.22413%0.132CC..Hα-helixtrans-65.9-40-178.3-68.2-58.4-51.500112.2Y780 A781 T787 G788 I796 A800Y780-Q784 HydrophobicContact CD1-CG 4.12Å; Y780-Q784 HydrophobicContact CD2-CG 4.12Å; Y780-Q784 HydrophobicContact CE1-CG 3.71Å; Y780-Q784 HydrophobicContact CE2-CG 3.71Å; Y780-Q784 HydrophobicContact CG-CG 4.31Å; Y780-Q784 VanDerWaalsContact CZ-CG 3.48Å; Y780-Q784 WeakPolarHBondContact O-CB 3.16Å; Y780-Q784 VanDerWaalsContact O-CG 3.31Å; Y780-Q784 WeakPolarHBondContact O-CG 3.46Å; Y780-Q784 PolarHBondContact O-N 3.47Å; A781-Q784 PolarHBondContact O-N 3.03Å; Q784-T787 PolarHBondContact O-N 2.97Å; Q784-G788 PolarHBondContact O-N 3.32Å; Q784-I796 HydrophobicContact CB-CG2 4.06Å; Q784-I796 WeakPolarHBondContact O-CG2 3.38Å; Q784-I796 VanDerWaalsContact OE1-CG2 3.28Å; Q784-A800 HydrophobicContact CB-CB 3.58Å; Q784-A800 HydrophobicContact CG-CB 4.44Å
785C98.2Very high96.8Very high0 Ų028.7 Ų28.70%014%0.137CC..Hα-helixtrans-61.9-50.1177.1-75.30000112.2A781 T787 G788 F789 A797 C801 L855A781-C785 VanDerWaalsContact O-CB 3.28Å; A781-C785 WeakPolarHBondContact O-CB 3.46Å; A781-C785 PolarHBondContact O-N 2.88Å; A781-C785 PolarHBondContact O-SG 3.34Å; C785-T787 PolarHBondContact O-N 3.47Å; C785-G788 PolarHBondContact O-N 2.85Å; C785-F789 VanDerWaalsContact O-CD2 3.26Å; C785-F789 WeakPolarHBondContact O-CD2 3.36Å; C785-F789 PolarHBondContact O-N 3.35Å; C785-A797 HydrophobicContact CB-CB 4.23Å; C785-A797 PolarHBondContact SG-O 3.02Å; C785-C801 PolarHBondContact SG-SG 3.41Å; C785-L855 HydrophobicContact CB-CD2 3.97Å
786N98.1Very high96.8Very high8 Ų831.1 Ų31.14%0.04315%0.149CC..Hα-helixtrans-63.2-41.4177.4-81.3-73.5000111.8W135 V782 I783 G788 F789 I790 P893 L895W135-N786 PolarHBondContact NE1-OD1 2.89Å; V782-N786 WeakPolarHBondContact O-CB 3.32Å; V782-N786 PolarHBondContact O-N 2.89Å; V782-N786 VanDerWaalsContact O-N 3.13Å; V782-N786 PolarHBondContact O-ND2 3.41Å; I783-N786 PolarHBondContact O-N 3.43Å; N786-G788 VanDerWaalsContact C-N 3.34Å; N786-G788 PolarHBondContact O-N 2.91Å; N786-F789 PolarHBondContact O-N 3.38Å; N786-I790 WeakPolarHBondContact O-CB 3.17Å; N786-I790 WeakPolarHBondContact O-CD1 3.25Å; N786-I790 VanDerWaalsContact O-CG1 3.22Å; N786-I790 WeakPolarHBondContact O-CG1 3.16Å; N786-I790 PolarHBondContact O-N 2.96Å; N786-P893 PolarHBondContact ND2-O 3.49Å; N786-L895 HydrophobicContact CB-CD1 3.2Å
787T97.1Very high96.9Very high37 Ų3731.1 Ų31.123%0.22715%0.149CC..Hα-helixtrans-58.1-47.1173.8-56.10000110.9I783 Q784 C785 F789 I790 E791I783-T787 WeakPolarHBondContact O-CB 3.34Å; I783-T787 PolarHBondContact O-N 3.12Å; I783-T787 PolarHBondContact O-OG1 2.78Å; Q784-T787 PolarHBondContact O-N 2.97Å; C785-T787 PolarHBondContact O-N 3.47Å; T787-F789 VanDerWaalsContact C-N 3.31Å; T787-F789 PolarHBondContact O-N 3.36Å; T787-I790 PolarHBondContact O-N 3.47Å; T787-E791 HydrophobicContact CG2-CG 4.26Å; T787-E791 WeakPolarHBondContact O-CB 3.38Å; T787-E791 WeakPolarHBondContact O-CG 3.48Å; T787-E791 PolarHBondContact O-N 3.29Å
788G97.1Very high97Very high0 Ų029.2 Ų29.20%014%0.142CC..Hα-helixtrans-59.2-36.9177.200000113.7Q784 C785 N786 F792 Q793Q784-G788 PolarHBondContact O-N 3.32Å; C785-G788 PolarHBondContact O-N 2.85Å; N786-G788 VanDerWaalsContact C-N 3.34Å; N786-G788 PolarHBondContact O-N 2.91Å; G788-F792 CarbonylContact O-C 3.56Å; G788-F792 PolarHBondContact O-N 2.96Å; G788-Q793 WeakPolarHBondContact CA-O 3.47Å; G788-Q793 CarbonylContact O-C 3.55Å; G788-Q793 PolarHBondContact O-N 3.44Å
789F97.8Very high97Very high8 Ų832.1 Ų32.14%0.03516%0.16CC..Hα-helixtrans-72.8-45.4173.8-82.6-71.3000112.8A131 W135 C785 N786 T787 E791 F792 F794 A797 P858 F859A131-F789 HydrophobicContact CB-CE1 4.07Å; A131-F789 HydrophobicContact CB-CZ 4.38Å; A131-F789 WeakPolarHBondContact O-CE1 3.46Å; W135-F789 HydrophobicContact CB-CD1 3.8Å; W135-F789 HydrophobicContact CB-CD2 4.32Å; W135-F789 HydrophobicContact CB-CE1 3.8Å; W135-F789 HydrophobicContact CB-CE2 4.31Å; W135-F789 HydrophobicContact CB-CG 4.09Å; W135-F789 HydrophobicContact CB-CZ 4.07Å; W135-F789 AromaticContact CD1-CD2 3.43Å; W135-F789 VanDerWaalsContact CD1-CD2 3.43Å; W135-F789 AromaticContact CD1-CE2 3.85Å; W135-F789 AromaticContact CD1-CG 3.72Å; W135-F789 HydrophobicContact CD2-CB 3.6Å; W135-F789 HydrophobicContact CD2-CD1 4.08Å; W135-F789 HydrophobicContact CD2-CD2 4.24Å; W135-F789 AromaticContact CD2-CG 3.72Å; W135-F789 HydrophobicContact CD2-CG 3.72Å; W135-F789 AromaticContact CE2-CG 3.95Å; W135-F789 HydrophobicContact CE3-CB 3.98Å; W135-F789 HydrophobicContact CE3-CD1 4.47Å; W135-F789 HydrophobicContact CE3-CG 4.36Å; W135-F789 HydrophobicContact CG-CB 4.02Å; W135-F789 AromaticContact CG-CD1 3.79Å; W135-F789 HydrophobicContact CG-CD1 3.79Å; W135-F789 AromaticContact CG-CD2 3.75Å; W135-F789 HydrophobicContact CG-CD2 3.75Å; W135-F789 HydrophobicContact CG-CE1 4.19Å; W135-F789 HydrophobicContact CG-CE2 4.16Å; W135-F789 AromaticContact CG-CG 3.57Å; W135-F789 HydrophobicContact CG-CG 3.57Å; W135-F789 HydrophobicContact CG-CZ 4.37Å; W135-F789 HydrophobicContact CH2-CB 4.23Å; W135-F789 HydrophobicContact CZ2-CB 3.89Å; W135-F789 HydrophobicContact CZ3-CB 4.26Å; W135-F789 AromaticContact NE1-CD2 3.74Å; W135-F789 AromaticContact NE1-CG 3.93Å; C785-F789 VanDerWaalsContact O-CD2 3.26Å; C785-F789 WeakPolarHBondContact O-CD2 3.36Å; C785-F789 PolarHBondContact O-N 3.35Å; N786-F789 PolarHBondContact O-N 3.38Å; T787-F789 VanDerWaalsContact C-N 3.31Å; T787-F789 PolarHBondContact O-N 3.36Å; F789-E791 VanDerWaalsContact C-N 3.29Å; F789-E791 PolarHBondContact O-N 3.5Å; F789-F792 PolarHBondContact O-N 3.2Å; F789-F794 HydrophobicContact CD1-CD1 4.34Å; F789-F794 AromaticContact CD1-CE1 3.99Å; F789-F794 HydrophobicContact CD1-CE1 3.99Å; F789-F794 HydrophobicContact CE1-CD1 4.18Å; F789-F794 HydrophobicContact CE1-CE1 4.06Å; F789-A797 HydrophobicContact CE2-CB 4.41Å; F789-P858 HydrophobicContact CE1-CB 4.41Å; F789-P858 HydrophobicContact CE2-CB 4.39Å; F789-P858 HydrophobicContact CE2-CG 4.38Å; F789-P858 HydrophobicContact CZ-CB 3.64Å; F789-P858 HydrophobicContact CZ-CG 4.07Å; F789-F859 HydrophobicContact CE1-CE1 4.44Å; F789-F859 HydrophobicContact CE1-CZ 4.06Å; F789-F859 AromaticContact CE2-CE2 3.83Å; F789-F859 HydrophobicContact CE2-CE2 3.83Å; F789-F859 AromaticContact CE2-CZ 3.76Å; F789-F859 HydrophobicContact CE2-CZ 3.76Å; F789-F859 AromaticContact CZ-CE1 3.97Å; F789-F859 HydrophobicContact CZ-CE1 3.97Å; F789-F859 AromaticContact CZ-CE2 3.68Å; F789-F859 HydrophobicContact CZ-CE2 3.68Å; F789-F859 AromaticContact CZ-CZ 3.3Å; F789-F859 HydrophobicContact CZ-CZ 3.3Å
790I96.3Very high97Very high105 Ų10532.4 Ų32.454%0.53816%0.163SC..Hα-helixtrans-60.8-39.8-179.9-69.5164.3000111.2W135 N786 T787W135-I790 HydrophobicContact CH2-CG1 3.84Å; W135-I790 HydrophobicContact CZ2-CG1 4.12Å; N786-I790 WeakPolarHBondContact O-CB 3.17Å; N786-I790 WeakPolarHBondContact O-CD1 3.25Å; N786-I790 VanDerWaalsContact O-CG1 3.22Å; N786-I790 WeakPolarHBondContact O-CG1 3.16Å; N786-I790 PolarHBondContact O-N 2.96Å; T787-I790 PolarHBondContact O-N 3.47Å
791E95.1Very high97.1Very high108 Ų10829 Ų2951%0.50515%0.149SC..THydrogen-bonded Turntrans-932.2-176.7-62.2-174.3165.400114.2T787 F789 Q793T787-E791 HydrophobicContact CG2-CG 4.26Å; T787-E791 WeakPolarHBondContact O-CB 3.38Å; T787-E791 WeakPolarHBondContact O-CG 3.48Å; T787-E791 PolarHBondContact O-N 3.29Å; F789-E791 VanDerWaalsContact C-N 3.29Å; F789-E791 PolarHBondContact O-N 3.5Å; E791-Q793 HydrophobicContact CB-CB 4.46Å; E791-Q793 HydrophobicContact CB-CG 4.05Å; E791-Q793 PolarHBondContact O-N 3.29Å
792F95Very high97.1Very high29 Ų2931.8 Ų31.813%0.12716%0.16CC..THydrogen-bonded Turntrans55.832.1-172.2-61.5-100.8000113.2I132 I475 L595 T625 Y627 G788 F789 F794I132-F792 HydrophobicContact CD1-CD1 4.25Å; I132-F792 HydrophobicContact CD1-CE1 4.06Å; I475-F792 HydrophobicContact CD1-CD2 3.57Å; I475-F792 HydrophobicContact CD1-CE2 3.59Å; I475-F792 HydrophobicContact CD1-CG 4.34Å; I475-F792 HydrophobicContact CD1-CZ 4.35Å; I475-F792 HydrophobicContact CG2-CB 4.39Å; L595-F792 HydrophobicContact CD1-CE1 3.91Å; L595-F792 HydrophobicContact CD1-CZ 4.02Å; L595-F792 HydrophobicContact CD2-CE1 3.8Å; L595-F792 HydrophobicContact CD2-CZ 4.32Å; T625-F792 HydrophobicContact CG2-CZ 4.31Å; Y627-F792 HydrophobicContact CD1-CD1 4.16Å; Y627-F792 HydrophobicContact CD2-CB 3.69Å; Y627-F792 AromaticContact CD2-CD1 3.64Å; Y627-F792 HydrophobicContact CD2-CD1 3.64Å; Y627-F792 AromaticContact CD2-CG 3.84Å; Y627-F792 HydrophobicContact CD2-CG 3.84Å; Y627-F792 HydrophobicContact CE2-CB 3.57Å; Y627-F792 HydrophobicContact CE2-CD1 4.22Å; Y627-F792 HydrophobicContact CE2-CG 4.24Å; Y627-F792 HydrophobicContact CG-CB 4.48Å; Y627-F792 AromaticContact CG-CD1 3.6Å; Y627-F792 HydrophobicContact CG-CD1 3.6Å; Y627-F792 HydrophobicContact CG-CE1 4.17Å; Y627-F792 HydrophobicContact CG-CG 4.29Å; G788-F792 CarbonylContact O-C 3.56Å; G788-F792 PolarHBondContact O-N 2.96Å; F789-F792 PolarHBondContact O-N 3.2Å; F792-F794 HydrophobicContact CD1-CZ 4.22Å
793Q94.3Very high97Very high86 Ų8635.7 Ų35.740%0.40218%0.178SC..  trans-106.566.2175.8-64.2-59.2-53.300110.5G788 E791 P795 I796G788-Q793 WeakPolarHBondContact CA-O 3.47Å; G788-Q793 CarbonylContact O-C 3.55Å; G788-Q793 PolarHBondContact O-N 3.44Å; E791-Q793 HydrophobicContact CB-CB 4.46Å; E791-Q793 HydrophobicContact CB-CG 4.05Å; E791-Q793 PolarHBondContact O-N 3.29Å; Q793-P795 VanDerWaalsContact C-N 3.26Å; Q793-P795 WeakPolarHBondContact O-CD 3.46Å; Q793-P795 VanDerWaalsContact O-N 3.11Å; Q793-I796 HydrophobicContact CB-CB 4.5Å; Q793-I796 HydrophobicContact CB-CD1 3.53Å; Q793-I796 HydrophobicContact CB-CG1 3.88Å; Q793-I796 HydrophobicContact CG-CD1 4.14Å; Q793-I796 VanDerWaalsContact O-CB 3.31Å; Q793-I796 WeakPolarHBondContact O-CB 3.42Å; Q793-I796 PolarHBondContact O-N 3.4Å
794F96.3Very high97.1Very high0 Ų033.9 Ų33.90%017%0.169CC..Hα-helixtrans-51.2-30.6178.1-49.8-70.3000116V128 I132 Y627 C704 F789 F792 I796 A797 T798 F859V128-F794 HydrophobicContact CG1-CE2 3.72Å; V128-F794 HydrophobicContact CG1-CZ 3.87Å; V128-F794 HydrophobicContact CG2-CD2 4.49Å; V128-F794 HydrophobicContact CG2-CE2 4.46Å; I132-F794 HydrophobicContact CD1-CE1 4.32Å; I132-F794 HydrophobicContact CD1-CZ 3.73Å; I132-F794 HydrophobicContact CG1-CE1 3.76Å; I132-F794 HydrophobicContact CG1-CZ 3.7Å; Y627-F794 AromaticContact CE1-CE2 3.8Å; Y627-F794 HydrophobicContact CE1-CE2 3.8Å; Y627-F794 AromaticContact CZ-CE2 3.79Å; C704-F794 HydrophobicContact CB-CB 4.23Å; F789-F794 HydrophobicContact CD1-CD1 4.34Å; F789-F794 AromaticContact CD1-CE1 3.99Å; F789-F794 HydrophobicContact CD1-CE1 3.99Å; F789-F794 HydrophobicContact CE1-CD1 4.18Å; F789-F794 HydrophobicContact CE1-CE1 4.06Å; F792-F794 HydrophobicContact CD1-CZ 4.22Å; F794-I796 PolarHBondContact O-N 2.84Å; F794-A797 PolarHBondContact O-N 3.09Å; F794-T798 WeakPolarHBondContact O-CG2 3.43Å; F794-T798 PolarHBondContact O-N 3.13Å; F794-T798 PolarHBondContact O-OG1 3.14Å; F794-F859 HydrophobicContact CB-CE1 4.36Å; F794-F859 HydrophobicContact CD1-CE1 4.19Å; F794-F859 HydrophobicContact CD1-CZ 4.4Å
795P95.9Very high97.1Very high17 Ų1731.7 Ų31.711%0.1116%0.158CC..Hα-helixtrans-60.6-31.4174-26.438.2000113.2T707 A708 Q793 T798 T799T707-P795 WeakPolarHBondContact OG1-CD 3.28Å; T707-P795 WeakPolarHBondContact OG1-CG 3.4Å; A708-P795 HydrophobicContact CB-CB 3.93Å; A708-P795 HydrophobicContact CB-CG 3.72Å; Q793-P795 VanDerWaalsContact C-N 3.26Å; Q793-P795 WeakPolarHBondContact O-CD 3.46Å; Q793-P795 VanDerWaalsContact O-N 3.11Å; P795-T798 WeakPolarHBondContact CA-OG1 3.43Å; P795-T798 PolarHBondContact O-OG1 3.37Å; P795-T799 WeakPolarHBondContact O-CB 3.19Å; P795-T799 PolarHBondContact O-N 3.19Å; P795-T799 PolarHBondContact O-OG1 2.75Å
796I96.9Very high97Very high53 Ų5332.8 Ų32.827%0.27216%0.164SC..Hα-helixtrans-63.2-51.8175.5-61.2179.3000109.3Q784 Q793 F794 T799 A800Q784-I796 HydrophobicContact CB-CG2 4.06Å; Q784-I796 WeakPolarHBondContact O-CG2 3.38Å; Q784-I796 VanDerWaalsContact OE1-CG2 3.28Å; Q793-I796 HydrophobicContact CB-CB 4.5Å; Q793-I796 HydrophobicContact CB-CD1 3.53Å; Q793-I796 HydrophobicContact CB-CG1 3.88Å; Q793-I796 HydrophobicContact CG-CD1 4.14Å; Q793-I796 VanDerWaalsContact O-CB 3.31Å; Q793-I796 WeakPolarHBondContact O-CB 3.42Å; Q793-I796 PolarHBondContact O-N 3.4Å; F794-I796 PolarHBondContact O-N 2.84Å; I796-T799 PolarHBondContact O-N 2.82Å; I796-A800 VanDerWaalsContact O-CB 3.3Å; I796-A800 WeakPolarHBondContact O-CB 3.32Å; I796-A800 PolarHBondContact O-N 3.46Å
797A98Very high96.8Very high0 Ų037.9 Ų37.90%018%0.184CC..Hα-helixtrans-64.7-47.4-179.700000112.8C785 F789 F794 T799 A800 C801 F859C785-A797 HydrophobicContact CB-CB 4.23Å; C785-A797 PolarHBondContact SG-O 3.02Å; F789-A797 HydrophobicContact CE2-CB 4.41Å; F794-A797 PolarHBondContact O-N 3.09Å; A797-T799 VanDerWaalsContact C-N 3.33Å; A797-T799 PolarHBondContact O-N 3.05Å; A797-A800 PolarHBondContact O-N 3.24Å; A797-C801 PolarHBondContact O-N 3.28Å; A797-F859 HydrophobicContact CB-CE2 3.9Å; A797-F859 HydrophobicContact CB-CZ 3.88Å
798T97.9Very high96.7Very high0 Ų037.1 Ų37.10%018%0.178CC..Hα-helixtrans-64.4-37.9179.753.30000112.1I701 C704 A705 F794 P795 Y802 F859I701-T798 HydrophobicContact CG1-CG2 3.9Å; C704-T798 HydrophobicContact CB-CG2 3.98Å; A705-T798 HydrophobicContact CB-CG2 4.47Å; F794-T798 WeakPolarHBondContact O-CG2 3.43Å; F794-T798 PolarHBondContact O-N 3.13Å; F794-T798 PolarHBondContact O-OG1 3.14Å; P795-T798 WeakPolarHBondContact CA-OG1 3.43Å; P795-T798 PolarHBondContact O-OG1 3.37Å; T798-Y802 VanDerWaalsContact O-CB 3.25Å; T798-Y802 WeakPolarHBondContact O-CB 3.31Å; T798-Y802 PolarHBondContact O-N 3.11Å; T798-F859 HydrophobicContact CG2-CD1 3.92Å; T798-F859 HydrophobicContact CG2-CD2 4.11Å; T798-F859 HydrophobicContact CG2-CE1 3.88Å; T798-F859 HydrophobicContact CG2-CE2 4.06Å; T798-F859 HydrophobicContact CG2-CG 4.03Å; T798-F859 HydrophobicContact CG2-CZ 3.95Å
799T97.4Very high96.7Very high61 Ų6137.2 Ų37.237%0.37418%0.178SC..Hα-helixtrans-68.8-42.7175.4-580000111.4P795 I796 A797 Y802 H803P795-T799 WeakPolarHBondContact O-CB 3.19Å; P795-T799 PolarHBondContact O-N 3.19Å; P795-T799 PolarHBondContact O-OG1 2.75Å; I796-T799 PolarHBondContact O-N 2.82Å; A797-T799 VanDerWaalsContact C-N 3.33Å; A797-T799 PolarHBondContact O-N 3.05Å; T799-Y802 PolarHBondContact O-N 3.41Å; T799-H803 WeakPolarHBondContact O-CB 3.35Å; T799-H803 PolarHBondContact O-N 3.26Å
800A98Very high96.6Very high7 Ų737 Ų376%0.05818%0.177CC..Hα-helixtrans-60.2-4817700000111.8Q784 I796 A797 Y802 H803 F804Q784-A800 HydrophobicContact CB-CB 3.58Å; Q784-A800 HydrophobicContact CG-CB 4.44Å; I796-A800 VanDerWaalsContact O-CB 3.3Å; I796-A800 WeakPolarHBondContact O-CB 3.32Å; I796-A800 PolarHBondContact O-N 3.46Å; A797-A800 PolarHBondContact O-N 3.24Å; A800-Y802 PolarHBondContact O-N 3.02Å; A800-H803 PolarHBondContact O-N 3.15Å; A800-F804 WeakPolarHBondContact O-CB 3.43Å; A800-F804 PolarHBondContact O-N 2.69Å
801C98.1Very high96.3Very high1 Ų135.1 Ų35.11%0.00717%0.169CC..Hα-helixtrans-60.2-46.3174.1-73.70000112.5C785 A797 W805 L856C785-C801 PolarHBondContact SG-SG 3.41Å; A797-C801 PolarHBondContact O-N 3.28Å; C801-W805 WeakPolarHBondContact O-CB 3.35Å; C801-W805 PolarHBondContact O-N 2.66Å; C801-L856 HydrophobicContact CB-CD2 3.44Å; C801-L856 VanDerWaalsContact CB-CD2 3.44Å; C801-L856 HydrophobicContact CB-CG 3.99Å
802Y97.6Very high96.1Very high62 Ų6230.5 Ų30.524%0.24315%0.148CC..Hα-helixtrans-63.1-45.6-179-176.5-91000111.7Y723 F726 T798 T799 A800 L806 Y807Y723-Y802 HydrophobicContact CD1-CD2 4.36Å; Y723-Y802 HydrophobicContact CD1-CE2 4.5Å; Y723-Y802 AromaticContact CE1-CD2 3.99Å; Y723-Y802 HydrophobicContact CE1-CD2 3.99Å; Y723-Y802 HydrophobicContact CE1-CE2 4.33Å; F726-Y802 HydrophobicContact CB-CD2 4.36Å; F726-Y802 HydrophobicContact CB-CE2 3.94Å; F726-Y802 HydrophobicContact CD1-CD2 4.02Å; F726-Y802 HydrophobicContact CD1-CE2 4.45Å; F726-Y802 AromaticContact CD2-CD2 3.61Å; F726-Y802 HydrophobicContact CD2-CD2 3.61Å; F726-Y802 AromaticContact CD2-CE2 3.66Å; F726-Y802 HydrophobicContact CD2-CE2 3.66Å; F726-Y802 HydrophobicContact CE1-CD2 4.18Å; F726-Y802 AromaticContact CE2-CD2 3.79Å; F726-Y802 HydrophobicContact CE2-CD2 3.79Å; F726-Y802 HydrophobicContact CE2-CE2 4.27Å; F726-Y802 HydrophobicContact CE2-CG 4.4Å; F726-Y802 AromaticContact CG-CD2 3.73Å; F726-Y802 HydrophobicContact CG-CD2 3.73Å; F726-Y802 AromaticContact CG-CE2 3.77Å; F726-Y802 HydrophobicContact CG-CE2 3.77Å; F726-Y802 HydrophobicContact CZ-CD2 4.08Å; T798-Y802 VanDerWaalsContact O-CB 3.25Å; T798-Y802 WeakPolarHBondContact O-CB 3.31Å; T798-Y802 PolarHBondContact O-N 3.11Å; T799-Y802 PolarHBondContact O-N 3.41Å; A800-Y802 PolarHBondContact O-N 3.02Å; Y802-L806 HydrophobicContact CD1-CD2 4.43Å; Y802-L806 HydrophobicContact CE1-CD2 3.52Å; Y802-L806 HydrophobicContact CE2-CD2 4.37Å; Y802-L806 VanDerWaalsContact CZ-CD2 3.49Å; Y802-L806 WeakPolarHBondContact O-CB 3.41Å; Y802-L806 PolarHBondContact O-N 2.88Å; Y802-L806 WeakPolarHBondContact OH-CD2 3.21Å; Y802-Y807 HydrophobicContact CD1-CE2 4.46Å; Y802-Y807 HydrophobicContact CE1-CE2 4.21Å
803H97.1Very high96.2Very high81 Ų8129.1 Ų29.138%0.37514%0.142SC..Hα-helixtrans-63.4-47.3177.2-75.9-179.4000112.1T799 A800 W805 L806 Y807 E808T799-H803 WeakPolarHBondContact O-CB 3.35Å; T799-H803 PolarHBondContact O-N 3.26Å; A800-H803 PolarHBondContact O-N 3.15Å; H803-W805 PolarHBondContact O-N 3.11Å; H803-L806 PolarHBondContact O-N 3Å; H803-Y807 HydrophobicContact CB-CD2 4.25Å; H803-Y807 AromaticContact CD2-CD2 3.48Å; H803-Y807 VanDerWaalsContact CD2-CD2 3.48Å; H803-Y807 WeakPolarHBondContact CD2-CD2 3.14Å; H803-Y807 AromaticContact CD2-CE2 3.37Å; H803-Y807 WeakPolarHBondContact CD2-CE2 3.48Å; H803-Y807 AromaticContact NE2-CE2 3.8Å; H803-Y807 PolarHBondContact O-N 2.51Å; H803-E808 PolarHBondContact O-N 3.21Å
804F98.5Very high96.1Very high1 Ų125.6 Ų25.60%0.00413%0.125CC..Iπ-helixtrans-57.6-50.9178.6175-103.2000111.8I774 L778 A781 A800 E808 L809 C848I774-F804 HydrophobicContact CD1-CE2 3.9Å; I774-F804 HydrophobicContact CG1-CE2 4.48Å; L778-F804 HydrophobicContact CB-CE2 3.74Å; L778-F804 HydrophobicContact CB-CZ 4.03Å; L778-F804 HydrophobicContact CD1-CE1 4.03Å; L778-F804 HydrophobicContact CD1-CE2 4.08Å; L778-F804 HydrophobicContact CD1-CZ 3.66Å; L778-F804 HydrophobicContact CG-CZ 4.39Å; A781-F804 HydrophobicContact CB-CB 3.92Å; A781-F804 HydrophobicContact CB-CD2 4.34Å; A781-F804 HydrophobicContact CB-CG 4.13Å; A800-F804 WeakPolarHBondContact O-CB 3.43Å; A800-F804 PolarHBondContact O-N 2.69Å; F804-E808 VanDerWaalsContact CA-OE2 3.27Å; F804-E808 WeakPolarHBondContact CA-OE2 3.34Å; F804-E808 WeakPolarHBondContact CD2-OE2 3.37Å; F804-E808 WeakPolarHBondContact O-CB 3.28Å; F804-E808 PolarHBondContact O-N 2.91Å; F804-L809 HydrophobicContact CE1-CD2 4.27Å; F804-L809 WeakPolarHBondContact O-CB 3.33Å; F804-L809 PolarHBondContact O-N 3.46Å; F804-C848 HydrophobicContact CZ-CB 4.03Å
805W98.2Very high95.9Very high1 Ų129.2 Ų29.20%0.00414%0.142CC..Iπ-helixtrans-67.8-46.3-179-86.498.3000112.9F726 L730 A733 V734 C801 H803 L809 C810 I849 G852 L853 L856F726-W805 HydrophobicContact CE2-CB 3.68Å; F726-W805 HydrophobicContact CZ-CB 3.77Å; F726-W805 HydrophobicContact CZ-CG 4.27Å; L730-W805 HydrophobicContact CD2-CB 3.81Å; L730-W805 HydrophobicContact CD2-CD2 3.16Å; L730-W805 HydrophobicContact CD2-CE3 3.28Å; L730-W805 HydrophobicContact CD2-CG 3.42Å; L730-W805 VanDerWaalsContact CD2-CG 3.42Å; L730-W805 HydrophobicContact CD2-CH2 4.37Å; L730-W805 HydrophobicContact CD2-CZ2 4.31Å; L730-W805 HydrophobicContact CD2-CZ3 3.91Å; A733-W805 HydrophobicContact CB-CZ3 4.03Å; V734-W805 HydrophobicContact CG2-CH2 4.13Å; V734-W805 HydrophobicContact CG2-CZ3 4.46Å; C801-W805 WeakPolarHBondContact O-CB 3.35Å; C801-W805 PolarHBondContact O-N 2.66Å; H803-W805 PolarHBondContact O-N 3.11Å; W805-L809 HydrophobicContact CD2-CD2 4.16Å; W805-L809 HydrophobicContact CE3-CD2 3.61Å; W805-L809 HydrophobicContact CH2-CD2 4.18Å; W805-L809 HydrophobicContact CZ3-CD2 3.63Å; W805-C810 VanDerWaalsContact O-CB 3.25Å; W805-C810 WeakPolarHBondContact O-CB 3.25Å; W805-C810 PolarHBondContact O-N 2.74Å; W805-C810 PolarHBondContact O-SG 2.7Å; W805-I849 HydrophobicContact CH2-CB 4.37Å; W805-I849 HydrophobicContact CH2-CG1 4.19Å; W805-I849 HydrophobicContact CH2-CG2 4.13Å; W805-G852 PolarHBondContact NE1-O 2.91Å; W805-L853 HydrophobicContact CH2-CD2 4.16Å; W805-L853 HydrophobicContact CH2-CG 4.39Å; W805-L853 HydrophobicContact CZ2-CD2 3.83Å; W805-L853 HydrophobicContact CZ2-CG 4.01Å; W805-L856 HydrophobicContact CG-CD1 4.28Å; W805-L856 VanDerWaalsContact NE1-CD1 3.32Å
806L95.6Very high95.6Very high23 Ų2328.5 Ų28.512%0.1214%0.137CC..Iπ-helixtrans-78.8-59.6-172.1-175.859.3000112K729 Y802 H803 D811K729-L806 HydrophobicContact CD-CD1 4.03Å; K729-L806 HydrophobicContact CG-CD1 4.06Å; Y802-L806 HydrophobicContact CD1-CD2 4.43Å; Y802-L806 HydrophobicContact CE1-CD2 3.52Å; Y802-L806 HydrophobicContact CE2-CD2 4.37Å; Y802-L806 VanDerWaalsContact CZ-CD2 3.49Å; Y802-L806 WeakPolarHBondContact O-CB 3.41Å; Y802-L806 PolarHBondContact O-N 2.88Å; Y802-L806 WeakPolarHBondContact OH-CD2 3.21Å; H803-L806 PolarHBondContact O-N 3Å; L806-D811 WeakPolarHBondContact O-CB 3.38Å; L806-D811 PolarHBondContact O-N 2.9Å
807Y94.1Very high95.3Very high116 Ų11626 Ų2646%0.45512%0.124SC..Iπ-helixtrans-89.1-25.5-166.4-57.7-50000113.4Y802 H803 V812Y802-Y807 HydrophobicContact CD1-CE2 4.46Å; Y802-Y807 HydrophobicContact CE1-CE2 4.21Å; H803-Y807 HydrophobicContact CB-CD2 4.25Å; H803-Y807 AromaticContact CD2-CD2 3.48Å; H803-Y807 VanDerWaalsContact CD2-CD2 3.48Å; H803-Y807 WeakPolarHBondContact CD2-CD2 3.14Å; H803-Y807 AromaticContact CD2-CE2 3.37Å; H803-Y807 WeakPolarHBondContact CD2-CE2 3.48Å; H803-Y807 AromaticContact NE2-CE2 3.8Å; H803-Y807 PolarHBondContact O-N 2.51Å; Y807-V812 WeakPolarHBondContact O-CG2 3.4Å
808E95.4Very high95Very high21 Ų2129.9 Ų29.910%0.09814%0.141CC..Iπ-helixtrans-102.3-56.4-174.5-57.4170166.900110.8W773 I774 R777 H803 F804 V812 Y813W773-E808 HydrophobicContact CH2-CB 4.02Å; W773-E808 HydrophobicContact CH2-CG 4.5Å; W773-E808 HydrophobicContact CZ2-CB 4.32Å; W773-E808 HydrophobicContact CZ2-CG 4.34Å; I774-E808 HydrophobicContact CD1-CB 4.21Å; R777-E808 WeakPolarHBondContact CB-OE2 3.34Å; R777-E808 IonicContact CZ-OE1 2.97Å; R777-E808 IonicContact NE-OE1 3.97Å; R777-E808 PolarHBondContact NE-OE1 2.9Å; R777-E808 IonicContact NE-OE2 3.62Å; R777-E808 IonicContact NH2-OE1 2.75Å; R777-E808 PolarHBondContact NH2-OE1 2.79Å; H803-E808 PolarHBondContact O-N 3.21Å; F804-E808 VanDerWaalsContact CA-OE2 3.27Å; F804-E808 WeakPolarHBondContact CA-OE2 3.34Å; F804-E808 WeakPolarHBondContact CD2-OE2 3.37Å; F804-E808 WeakPolarHBondContact O-CB 3.28Å; F804-E808 PolarHBondContact O-N 2.91Å; E808-V812 WeakPolarHBondContact O-CB 3.46Å; E808-Y813 PolarHBondContact O-N 2.83Å
809L97.2Very high94.4Very high1 Ų132.5 Ų32.51%0.00516%0.159CC..Iπ-helixtrans-73.2-58.4-179.8-176.660.5000111.5F804 W805 Y813 L814 L845 C848 I849F804-L809 HydrophobicContact CE1-CD2 4.27Å; F804-L809 WeakPolarHBondContact O-CB 3.33Å; F804-L809 PolarHBondContact O-N 3.46Å; W805-L809 HydrophobicContact CD2-CD2 4.16Å; W805-L809 HydrophobicContact CE3-CD2 3.61Å; W805-L809 HydrophobicContact CH2-CD2 4.18Å; W805-L809 HydrophobicContact CZ3-CD2 3.63Å; L809-Y813 HydrophobicContact CD1-CD1 3.91Å; L809-Y813 CarbonylContact O-C 3.59Å; L809-Y813 PolarHBondContact O-N 3.08Å; L809-Y813 VanDerWaalsContact O-N 3.16Å; L809-L814 HydrophobicContact CG-CG 4.49Å; L809-L814 WeakPolarHBondContact O-CG 3.21Å; L809-L814 PolarHBondContact O-N 3.43Å; L809-L845 HydrophobicContact CD1-CD1 3.96Å; L809-C848 HydrophobicContact CD1-CB 4.19Å; L809-I849 HydrophobicContact CD2-CG1 4.42Å
810C95.4Very high93.9Very high4 Ų430.7 Ų30.73%0.02715%0.146CC..Iπ-helixtrans-76.5-45.3-171.5-68.30000114.5K729 W805 V812 L814K729-C810 HydrophobicContact CD-CB 4.38Å; K729-C810 HydrophobicContact CG-CB 4.38Å; W805-C810 VanDerWaalsContact O-CB 3.25Å; W805-C810 WeakPolarHBondContact O-CB 3.25Å; W805-C810 PolarHBondContact O-N 2.74Å; W805-C810 PolarHBondContact O-SG 2.7Å; C810-V812 VanDerWaalsContact C-N 3.33Å; C810-L814 HydrophobicContact CB-CD1 4.41Å
811D90.1Very high93.4Very high66 Ų6630.6 Ų30.635%0.35315%0.145SC..Iπ-helixtrans-80.3-17.5-173.1-71.5-6.2000112.8K729 L806K729-D811 IonicContact NZ-OD1 3.62Å; K729-D811 PolarHBondContact NZ-OD1 3.16Å; L806-D811 WeakPolarHBondContact O-CB 3.38Å; L806-D811 PolarHBondContact O-N 2.9Å
812V92.1Very high92.8Very high11 Ų1136.2 Ų36.27%0.06717%0.169CC..Iπ-helixtrans-123.6-67.8-178-177.90000111.4W773 Y807 E808 C810 L814 E815 Y816 F911 L915 L967W773-V812 HydrophobicContact CH2-CB 3.81Å; W773-V812 HydrophobicContact CH2-CG1 3.69Å; W773-V812 HydrophobicContact CH2-CG2 4.25Å; W773-V812 HydrophobicContact CZ3-CB 4.05Å; W773-V812 HydrophobicContact CZ3-CG1 3.61Å; Y807-V812 WeakPolarHBondContact O-CG2 3.4Å; E808-V812 WeakPolarHBondContact O-CB 3.46Å; C810-V812 VanDerWaalsContact C-N 3.33Å; V812-L814 PolarHBondContact O-N 3.04Å; V812-E815 PolarHBondContact O-N 3.34Å; V812-E815 VanDerWaalsContact O-N 3.12Å; V812-Y816 PolarHBondContact O-N 3.1Å; V812-F911 HydrophobicContact CG1-CE1 3.77Å; V812-F911 HydrophobicContact CG1-CZ 3.59Å; V812-L915 HydrophobicContact CG2-CD2 4.04Å; V812-L967 HydrophobicContact CG1-CD1 4.01Å
813Y95.4Very high92Very high0 Ų036 Ų360%017%0.172CC..Iπ-helixtrans-67.1-38.4-168.2-167.3-104.7000113.7T770 D771 I774 E808 L809 E815 Y816 T817 I844 L845T770-Y813 HydrophobicContact CG2-CD2 4.19Å; T770-Y813 HydrophobicContact CG2-CE2 4.45Å; D771-Y813 PolarHBondContact OD1-OH 3.3Å; D771-Y813 VanDerWaalsContact OD1-OH 3.1Å; I774-Y813 HydrophobicContact CB-CD2 3.62Å; I774-Y813 HydrophobicContact CB-CE2 3.96Å; I774-Y813 HydrophobicContact CB-CG 3.96Å; I774-Y813 HydrophobicContact CD1-CG 4.32Å; I774-Y813 HydrophobicContact CG1-CD1 4.13Å; I774-Y813 HydrophobicContact CG1-CD2 4.01Å; I774-Y813 HydrophobicContact CG1-CG 3.78Å; I774-Y813 HydrophobicContact CG2-CD1 4.32Å; I774-Y813 HydrophobicContact CG2-CD2 3.52Å; I774-Y813 HydrophobicContact CG2-CE1 4.12Å; I774-Y813 HydrophobicContact CG2-CE2 3.28Å; I774-Y813 HydrophobicContact CG2-CG 4.04Å; E808-Y813 PolarHBondContact O-N 2.83Å; L809-Y813 HydrophobicContact CD1-CD1 3.91Å; L809-Y813 CarbonylContact O-C 3.59Å; L809-Y813 PolarHBondContact O-N 3.08Å; L809-Y813 VanDerWaalsContact O-N 3.16Å; Y813-E815 VanDerWaalsContact C-N 3.31Å; Y813-E815 PolarHBondContact O-N 2.73Å; Y813-Y816 AromaticContact CD2-CD1 3.78Å; Y813-Y816 HydrophobicContact CD2-CD1 3.78Å; Y813-Y816 HydrophobicContact CD2-CE1 4.49Å; Y813-Y816 AromaticContact CE2-CD1 3.62Å; Y813-Y816 HydrophobicContact CE2-CD1 3.62Å; Y813-Y816 AromaticContact CE2-CE1 3.92Å; Y813-Y816 HydrophobicContact CE2-CE1 3.92Å; Y813-Y816 VanDerWaalsContact O-CB 3.27Å; Y813-Y816 WeakPolarHBondContact O-CB 3.48Å; Y813-Y816 PolarHBondContact O-N 3.49Å; Y813-T817 HydrophobicContact CD1-CG2 4.09Å; Y813-T817 HydrophobicContact CE1-CG2 3.86Å; Y813-T817 VanDerWaalsContact O-CG2 3.27Å; Y813-T817 WeakPolarHBondContact O-CG2 2.81Å; Y813-T817 PolarHBondContact O-N 3.2Å; Y813-I844 HydrophobicContact CE1-CG2 4.26Å; Y813-I844 WeakPolarHBondContact OH-CG2 3.39Å; Y813-L845 HydrophobicContact CD1-CD1 4.47Å; Y813-L845 HydrophobicContact CE1-CB 4.36Å
814L94Very high90.9Very high11 Ų1136.2 Ų36.26%0.05817%0.172CC..Hα-helixtrans-66.1-34.2173.6-71.2-171.6000112.5A733 Y736 L809 C810 V812 Y816 T817 K818 L845A733-L814 HydrophobicContact CB-CD1 3.76Å; Y736-L814 HydrophobicContact CD1-CD1 4.4Å; Y736-L814 HydrophobicContact CD1-CD2 3.83Å; Y736-L814 HydrophobicContact CE1-CD2 3.92Å; L809-L814 HydrophobicContact CG-CG 4.49Å; L809-L814 WeakPolarHBondContact O-CG 3.21Å; L809-L814 PolarHBondContact O-N 3.43Å; C810-L814 HydrophobicContact CB-CD1 4.41Å; V812-L814 PolarHBondContact O-N 3.04Å; L814-Y816 VanDerWaalsContact C-N 3.3Å; L814-T817 PolarHBondContact O-N 2.89Å; L814-T817 PolarHBondContact O-OG1 3.08Å; L814-K818 WeakPolarHBondContact O-CG 3.46Å; L814-K818 PolarHBondContact O-N 2.96Å; L814-L845 HydrophobicContact CD2-CD1 3.54Å; L814-L845 HydrophobicContact CD2-CD2 4.15Å
815E90.3Very high89.6Confident77 Ų7742 Ų4236%0.3620%0.199SC..Hα-helixtrans-70.4-33.9174.7-61.6-59.5144.300110.7V812 Y813 K818 P819 L967V812-E815 PolarHBondContact O-N 3.34Å; V812-E815 VanDerWaalsContact O-N 3.12Å; Y813-E815 VanDerWaalsContact C-N 3.31Å; Y813-E815 PolarHBondContact O-N 2.73Å; E815-K818 IonicContact OE1-NZ 2.7Å; E815-K818 PolarHBondContact OE1-NZ 3.37Å; E815-K818 WeakPolarHBondContact OE2-CD 3.49Å; E815-K818 WeakPolarHBondContact OE2-CE 3.48Å; E815-K818 IonicContact OE2-NZ 2.74Å; E815-K818 PolarHBondContact OE2-NZ 3.23Å; E815-P819 VanDerWaalsContact O-CD 3.28Å; E815-P819 WeakPolarHBondContact O-CD 3.33Å; E815-L967 HydrophobicContact CB-CD2 3.44Å; E815-L967 VanDerWaalsContact CB-CD2 3.44Å; E815-L967 HydrophobicContact CG-CD2 4.37Å
816Y90.3Very high88.3Confident1 Ų147.2 Ų47.20%0.00423%0.227CC..Hα-helixtrans-63.4-41.6170.9167.5-114.9000113S768 T770 V812 Y813 L814 K818 P819 I820 R837 D962 V963S768-Y816 PolarHBondContact OG-OH 3.39Å; S768-Y816 VanDerWaalsContact OG-OH 3.04Å; T770-Y816 HydrophobicContact CG2-CD1 3.59Å; T770-Y816 HydrophobicContact CG2-CD2 4.11Å; T770-Y816 HydrophobicContact CG2-CE1 3.79Å; T770-Y816 HydrophobicContact CG2-CE2 4.32Å; T770-Y816 HydrophobicContact CG2-CG 3.72Å; V812-Y816 PolarHBondContact O-N 3.1Å; Y813-Y816 AromaticContact CD2-CD1 3.78Å; Y813-Y816 HydrophobicContact CD2-CD1 3.78Å; Y813-Y816 HydrophobicContact CD2-CE1 4.49Å; Y813-Y816 AromaticContact CE2-CD1 3.62Å; Y813-Y816 HydrophobicContact CE2-CD1 3.62Å; Y813-Y816 AromaticContact CE2-CE1 3.92Å; Y813-Y816 HydrophobicContact CE2-CE1 3.92Å; Y813-Y816 VanDerWaalsContact O-CB 3.27Å; Y813-Y816 WeakPolarHBondContact O-CB 3.48Å; Y813-Y816 PolarHBondContact O-N 3.49Å; L814-Y816 VanDerWaalsContact C-N 3.3Å; Y816-K818 VanDerWaalsContact C-N 3.31Å; Y816-K818 PolarHBondContact O-N 3.4Å; Y816-P819 VanDerWaalsContact O-CD 3.27Å; Y816-P819 WeakPolarHBondContact O-CD 3.36Å; Y816-P819 WeakPolarHBondContact O-CG 3.31Å; Y816-I820 HydrophobicContact CD2-CD1 4.43Å; Y816-I820 HydrophobicContact CE1-CD1 3.95Å; Y816-I820 HydrophobicContact CE2-CD1 3.77Å; Y816-R837 PolarHBondContact OH-NH2 3.44Å; Y816-D962 HydrophobicContact CD2-CB 4.21Å; Y816-D962 WeakPolarHBondContact CD2-O 3.28Å; Y816-D962 HydrophobicContact CE2-CB 3.46Å; Y816-D962 VanDerWaalsContact CE2-CB 3.46Å; Y816-D962 WeakPolarHBondContact CE2-OD2 3.24Å; Y816-D962 PolarHBondContact OH-OD2 2.67Å; Y816-V963 HydrophobicContact CD2-CG2 4.19Å
817T91.7Very high86.9Confident0 Ų050.9 Ų50.90%024%0.243CC..Hα-helixtrans-69-28-179.864.10000113.1Y736 Y813 L814 I820 I821 V841Y736-T817 PolarHBondContact OH-OG1 2.95Å; Y736-T817 VanDerWaalsContact OH-OG1 3.12Å; Y813-T817 HydrophobicContact CD1-CG2 4.09Å; Y813-T817 HydrophobicContact CE1-CG2 3.86Å; Y813-T817 VanDerWaalsContact O-CG2 3.27Å; Y813-T817 WeakPolarHBondContact O-CG2 2.81Å; Y813-T817 PolarHBondContact O-N 3.2Å; L814-T817 PolarHBondContact O-N 2.89Å; L814-T817 PolarHBondContact O-OG1 3.08Å; T817-I820 PolarHBondContact O-N 2.87Å; T817-I821 WeakPolarHBondContact O-CB 3.05Å; T817-I821 WeakPolarHBondContact O-CG1 3.39Å; T817-I821 PolarHBondContact O-N 2.77Å; T817-V841 HydrophobicContact CG2-CG1 3.38Å
818K90.4Very high85.7Confident82 Ų8251.5 Ų51.536%0.35726%0.264SS..Hα-helixtrans-54.1-54.2-175.7-76.9172.6-166179.80115.1Y736 L814 E815 Y816 I820 I821 K822Y736-K818 HydrophobicContact CE2-CG 3.77Å; Y736-K818 WeakPolarHBondContact OH-CA 3.39Å; Y736-K818 VanDerWaalsContact OH-CG 3.28Å; Y736-K818 WeakPolarHBondContact OH-CG 3.32Å; Y736-K818 PolarHBondContact OH-N 2.71Å; L814-K818 WeakPolarHBondContact O-CG 3.46Å; L814-K818 PolarHBondContact O-N 2.96Å; E815-K818 IonicContact OE1-NZ 2.7Å; E815-K818 PolarHBondContact OE1-NZ 3.37Å; E815-K818 WeakPolarHBondContact OE2-CD 3.49Å; E815-K818 WeakPolarHBondContact OE2-CE 3.48Å; E815-K818 IonicContact OE2-NZ 2.74Å; E815-K818 PolarHBondContact OE2-NZ 3.23Å; Y816-K818 VanDerWaalsContact C-N 3.31Å; Y816-K818 PolarHBondContact O-N 3.4Å; K818-I820 VanDerWaalsContact C-N 3.32Å; K818-I820 PolarHBondContact O-N 3.06Å; K818-I821 PolarHBondContact O-N 2.83Å; K818-K822 VanDerWaalsContact O-CB 3.32Å; K818-K822 WeakPolarHBondContact O-CB 3.4Å; K818-K822 PolarHBondContact O-N 3.49Å
819P85.5Confident84.8Confident56 Ų5656.1 Ų56.136%0.36429%0.294SS..Hα-helixtrans-61-40.3179.121.9-33.4000112.4E815 Y816 K822 L823E815-P819 VanDerWaalsContact O-CD 3.28Å; E815-P819 WeakPolarHBondContact O-CD 3.33Å; Y816-P819 VanDerWaalsContact O-CD 3.27Å; Y816-P819 WeakPolarHBondContact O-CD 3.36Å; Y816-P819 WeakPolarHBondContact O-CG 3.31Å; P819-K822 PolarHBondContact O-N 2.79Å; P819-L823 PolarHBondContact O-N 3.31Å
820I87.2Confident83.9Confident22 Ų2258.4 Ų58.411%0.11331%0.306CS..Hα-helixtrans-61.6-47.4178.9-58.7175.1000110.5Y816 T817 K818 K822 L823 I838 V841Y816-I820 HydrophobicContact CD2-CD1 4.43Å; Y816-I820 HydrophobicContact CE1-CD1 3.95Å; Y816-I820 HydrophobicContact CE2-CD1 3.77Å; T817-I820 PolarHBondContact O-N 2.87Å; K818-I820 VanDerWaalsContact C-N 3.32Å; K818-I820 PolarHBondContact O-N 3.06Å; I820-K822 VanDerWaalsContact C-N 3.35Å; I820-K822 PolarHBondContact O-N 3.46Å; I820-L823 WeakPolarHBondContact O-CB 3.44Å; I820-L823 PolarHBondContact O-N 3.2Å; I820-I838 HydrophobicContact CG2-CG1 3.91Å; I820-V841 HydrophobicContact CD1-CG2 4.06Å
821I87.1Confident83.4Confident6 Ų661 Ų613%0.03132%0.324CS..Hα-helixtrans-70.8-31-179.8-62.9-64.9000112H740 C741 T817 K818 L823 K824 I838 C842H740-I821 HydrophobicContact CB-CG2 4.15Å; H740-I821 WeakPolarHBondContact O-CG2 3.38Å; C741-I821 HydrophobicContact CB-CD1 4.37Å; T817-I821 WeakPolarHBondContact O-CB 3.05Å; T817-I821 WeakPolarHBondContact O-CG1 3.39Å; T817-I821 PolarHBondContact O-N 2.77Å; K818-I821 PolarHBondContact O-N 2.83Å; I821-L823 PolarHBondContact O-N 2.89Å; I821-K824 VanDerWaalsContact O-CB 3.29Å; I821-K824 WeakPolarHBondContact O-CB 3.33Å; I821-K824 PolarHBondContact O-N 3.43Å; I821-K824 VanDerWaalsContact O-N 3.13Å; I821-I838 HydrophobicContact CD1-CG2 4.06Å; I821-C842 VanDerWaalsContact CD1-SG 3.54Å
822K85.2Confident83.2Confident118 Ų11863 Ų6351%0.51334%0.339SS..Hα-helixtrans-64.9-27.5177.8-167.9178.1-179.8-172.60112.5K818 P819 I820 K824 Q825 N826K818-K822 VanDerWaalsContact O-CB 3.32Å; K818-K822 WeakPolarHBondContact O-CB 3.4Å; K818-K822 PolarHBondContact O-N 3.49Å; P819-K822 PolarHBondContact O-N 2.79Å; I820-K822 VanDerWaalsContact C-N 3.35Å; I820-K822 PolarHBondContact O-N 3.46Å; K822-K824 PolarHBondContact O-N 2.97Å; K822-Q825 PolarHBondContact O-N 3.26Å; K822-N826 PolarHBondContact O-N 3.48Å; K822-N826 VanDerWaalsContact O-N 3.08Å
823L80.5Confident82.8Confident59 Ų5968.4 Ų68.431%0.30937%0.365SS..Hα-helixtrans-56.7-41.1172.8-65.1172.2000111.2P819 I820 I821 Q825 N826 H827 L830P819-L823 PolarHBondContact O-N 3.31Å; I820-L823 WeakPolarHBondContact O-CB 3.44Å; I820-L823 PolarHBondContact O-N 3.2Å; I821-L823 PolarHBondContact O-N 2.89Å; L823-Q825 PolarHBondContact O-N 3.34Å; L823-N826 PolarHBondContact O-N 3.03Å; L823-H827 PolarHBondContact O-N 3.33Å; L823-L830 HydrophobicContact CB-CD2 4.18Å
824K75.9Confident82.4Confident85 Ų8571.6 Ų71.637%0.3738%0.379SS..Hα-helixtrans-59.6-30175.8-165178.7-178.8175.40113.7D743 I821 K822 L830 I838D743-K824 IonicContact OD2-NZ 3.25Å; D743-K824 PolarHBondContact OD2-NZ 3.3Å; I821-K824 VanDerWaalsContact O-CB 3.29Å; I821-K824 WeakPolarHBondContact O-CB 3.33Å; I821-K824 PolarHBondContact O-N 3.43Å; I821-K824 VanDerWaalsContact O-N 3.13Å; K822-K824 PolarHBondContact O-N 2.97Å; K824-L830 HydrophobicContact CB-CD1 4.41Å; K824-L830 HydrophobicContact CG-CD1 4.31Å; K824-I838 HydrophobicContact CB-CD1 4.16Å
825Q70.3Confident82.1Confident123 Ų12376.4 Ų76.458%0.57540%0.403SS*.Hα-helixtrans-88.9-29.4-177.7-65.1175.4-6.300112.8K822 L823K822-Q825 PolarHBondContact O-N 3.26Å; L823-Q825 PolarHBondContact O-N 3.34Å
826N70.9Confident82.1Confident110 Ų11076.8 Ų76.859%0.58841%0.405SS*.Hα-helixtrans-96.8-31.1-172-78.91.5000114K822 L823K822-N826 PolarHBondContact O-N 3.48Å; K822-N826 VanDerWaalsContact O-N 3.08Å; L823-N826 PolarHBondContact O-N 3.03Å
827H66.7Low82.1Confident100 Ų10078.3 Ų78.346%0.46341%0.41SS..  trans-99.4124.7-176.3-71.3-96.1000111L823 V829 L830L823-H827 PolarHBondContact O-N 3.33Å; H827-V829 PolarHBondContact O-N 2.8Å; H827-L830 HydrophobicContact CB-CD2 3.98Å
828S69Low82Confident128 Ų12878.9 Ų78.990%0.89541%0.414SS*.SBendtrans-70.6-21.7174.352.50000113.1
829V77Confident82.1Confident119 Ų11979.5 Ų79.572%0.72142%0.418SS*.SBendtrans-132.9114.4176.9-175.60000108.2H827H827-V829 PolarHBondContact O-N 2.8Å
830L77.8Confident82.4Confident49 Ų4976.9 Ų76.926%0.25740%0.401SS..  trans-97.1144.8170.7-64.8168.6000109.2L823 K824 H827 E834 I838L823-L830 HydrophobicContact CB-CD2 4.18Å; K824-L830 HydrophobicContact CB-CD1 4.41Å; K824-L830 HydrophobicContact CG-CD1 4.31Å; H827-L830 HydrophobicContact CB-CD2 3.98Å; L830-E834 HydrophobicContact CB-CB 4.49Å; L830-E834 HydrophobicContact CD2-CB 4.48Å; L830-I838 HydrophobicContact CD1-CD1 3.98Å
831S84.2Confident82.7Confident57 Ų5775.9 Ų75.940%0.39940%0.396SS..  trans-68.4157.416867.40000111.3M833 E834 M835S831-M833 PolarHBondContact O-N 3.02Å; S831-E834 VanDerWaalsContact CB-OE2 3.3Å; S831-E834 WeakPolarHBondContact CB-OE2 3.28Å; S831-E834 PolarHBondContact N-OE2 3.23Å; S831-E834 PolarHBondContact O-N 2.74Å; S831-E834 WeakPolarHBondContact OG-CB 3.32Å; S831-E834 VanDerWaalsContact OG-CD 3.24Å; S831-E834 WeakPolarHBondContact OG-CG 3.4Å; S831-E834 PolarHBondContact OG-N 3.21Å; S831-E834 PolarHBondContact OG-OE2 3.22Å; S831-M835 PolarHBondContact O-N 2.67Å
832T85.5Confident83Confident109 Ų10975.9 Ų75.967%0.66940%0.396SS*.Hα-helixtrans-56.8-39.8176.8-49.40000111.9M835 E836T832-M835 PolarHBondContact O-N 2.94Å; T832-E836 WeakPolarHBondContact O-CB 3.48Å; T832-E836 PolarHBondContact O-N 3.4Å
833M85.1Confident83.4Confident125 Ų12571.8 Ų71.862%0.61638%0.379SS*.Hα-helixtrans-67-40.7179-173.6-178.917400112.2L766 S831 E836 R837L766-M833 HydrophobicContact CD1-CG 4.27Å; L766-M833 HydrophobicContact CD2-CE 3.59Å; L766-M833 HydrophobicContact CD2-CG 4.1Å; S831-M833 PolarHBondContact O-N 3.02Å; M833-E836 PolarHBondContact O-N 2.86Å; M833-R837 WeakPolarHBondContact O-CB 3.27Å; M833-R837 PolarHBondContact O-N 3.11Å
834E86.2Confident84.2Confident66 Ų6669 Ų6931%0.30836%0.364SS..Hα-helixtrans-64.7-40.8175.4-73.6164.4134.300111.6L830 S831 R837 I838L830-E834 HydrophobicContact CB-CB 4.49Å; L830-E834 HydrophobicContact CD2-CB 4.48Å; S831-E834 VanDerWaalsContact CB-OE2 3.3Å; S831-E834 WeakPolarHBondContact CB-OE2 3.28Å; S831-E834 PolarHBondContact N-OE2 3.23Å; S831-E834 PolarHBondContact O-N 2.74Å; S831-E834 WeakPolarHBondContact OG-CB 3.32Å; S831-E834 VanDerWaalsContact OG-CD 3.24Å; S831-E834 WeakPolarHBondContact OG-CG 3.4Å; S831-E834 PolarHBondContact OG-N 3.21Å; S831-E834 PolarHBondContact OG-OE2 3.22Å; E834-R837 PolarHBondContact O-N 3.34Å; E834-I838 WeakPolarHBondContact O-CB 3.49Å; E834-I838 WeakPolarHBondContact O-CD1 3.25Å; E834-I838 VanDerWaalsContact O-CG1 3.26Å; E834-I838 WeakPolarHBondContact O-CG1 3.03Å; E834-I838 PolarHBondContact O-N 2.7Å
835M87Confident85.1Confident112 Ų11264.9 Ų64.955%0.55235%0.346SS*.Hα-helixtrans-64.2-43.7177.2-172.6174.564.100111.8S831 T832 I838 Q839S831-M835 PolarHBondContact O-N 2.67Å; T832-M835 PolarHBondContact O-N 2.94Å; M835-I838 PolarHBondContact O-N 3.16Å; M835-Q839 PolarHBondContact O-N 3.4Å
836E90.4Very high86.3Confident86 Ų8659.4 Ų59.440%0.40232%0.32SS..Hα-helixtrans-63.9-41.6175.9-168.2-177.3166.400111.6H764 L766 T832 M833 Q839 L840H764-E836 IonicContact CE1-OE1 3.66Å; H764-E836 PolarHBondContact CE1-OE1 3.24Å; H764-E836 IonicContact NE2-OE1 2.95Å; L766-E836 HydrophobicContact CD1-CB 3.81Å; L766-E836 HydrophobicContact CD1-CG 3.73Å; T832-E836 WeakPolarHBondContact O-CB 3.48Å; T832-E836 PolarHBondContact O-N 3.4Å; M833-E836 PolarHBondContact O-N 2.86Å; E836-Q839 PolarHBondContact O-N 3.44Å; E836-L840 WeakPolarHBondContact O-CB 3.4Å; E836-L840 PolarHBondContact O-N 3.2Å
837R89.9Confident87.5Confident32 Ų3254.2 Ų54.212%0.12129%0.292CS..Hα-helixtrans-61.3-45.6174.6-17771.5-166.1119.214.7112.1L766 S768 D771 Y816 M833 E834 Q839 L840 V841L766-R837 HydrophobicContact CD1-CB 4.47Å; L766-R837 PolarHBondContact O-NH1 3.27Å; S768-R837 PolarHBondContact OG-NH2 2.99Å; D771-R837 VanDerWaalsContact CG-NH2 3.33Å; D771-R837 IonicContact OD1-NH1 3.44Å; D771-R837 IonicContact OD1-NH2 3.68Å; D771-R837 PolarHBondContact OD1-NH2 3.49Å; D771-R837 IonicContact OD2-CZ 3.38Å; D771-R837 IonicContact OD2-NH1 2.57Å; D771-R837 PolarHBondContact OD2-NH1 2.83Å; D771-R837 IonicContact OD2-NH2 3.45Å; D771-R837 PolarHBondContact OD2-NH2 2.81Å; Y816-R837 PolarHBondContact OH-NH2 3.44Å; M833-R837 WeakPolarHBondContact O-CB 3.27Å; M833-R837 PolarHBondContact O-N 3.11Å; E834-R837 PolarHBondContact O-N 3.34Å; R837-Q839 VanDerWaalsContact C-N 3.33Å; R837-Q839 PolarHBondContact O-N 2.85Å; R837-L840 PolarHBondContact O-N 2.96Å; R837-V841 VanDerWaalsContact CZ-CG2 3.45Å; R837-V841 VanDerWaalsContact NH2-CG2 3.27Å; R837-V841 WeakPolarHBondContact O-CG2 3.41Å; R837-V841 PolarHBondContact O-N 3Å; R837-V841 VanDerWaalsContact O-N 3.09Å
838I90.8Very high88.9Confident13 Ų1349.4 Ų49.47%0.06727%0.27CS..Hα-helixtrans-59.5-45.9176.1-73.2160.3000110.4I820 I821 K824 L830 E834 M835 V841 C842I820-I838 HydrophobicContact CG2-CG1 3.91Å; I821-I838 HydrophobicContact CD1-CG2 4.06Å; K824-I838 HydrophobicContact CB-CD1 4.16Å; L830-I838 HydrophobicContact CD1-CD1 3.98Å; E834-I838 WeakPolarHBondContact O-CB 3.49Å; E834-I838 WeakPolarHBondContact O-CD1 3.25Å; E834-I838 VanDerWaalsContact O-CG1 3.26Å; E834-I838 WeakPolarHBondContact O-CG1 3.03Å; E834-I838 PolarHBondContact O-N 2.7Å; M835-I838 PolarHBondContact O-N 3.16Å; I838-V841 PolarHBondContact O-N 3.09Å; I838-C842 WeakPolarHBondContact O-CB 3.28Å; I838-C842 PolarHBondContact O-N 2.83Å; I838-C842 PolarHBondContact O-SG 2.95Å
839Q91.1Very high90.3Very high94 Ų9443.4 Ų43.444%0.43923%0.228SC..Hα-helixtrans-61.3-46.4179.1-177.5175.6-6.800111.9M835 E836 R837 V841 C842 Q843M835-Q839 PolarHBondContact O-N 3.4Å; E836-Q839 PolarHBondContact O-N 3.44Å; R837-Q839 VanDerWaalsContact C-N 3.33Å; R837-Q839 PolarHBondContact O-N 2.85Å; Q839-V841 PolarHBondContact O-N 3.13Å; Q839-C842 PolarHBondContact O-N 2.75Å; Q839-Q843 WeakPolarHBondContact O-CG 3.44Å; Q839-Q843 PolarHBondContact O-N 2.85Å
840L92.9Very high91.2Very high2 Ų237.8 Ų37.81%0.0119%0.194CC..Hα-helixtrans-58-48.7177.717762.4000111.9F761 H764 L766 L767 E836 R837 C842 Q843 I844F761-L840 HydrophobicContact CD1-CD1 3.76Å; F761-L840 HydrophobicContact CE1-CD1 4.05Å; H764-L840 HydrophobicContact CB-CD1 4.42Å; H764-L840 HydrophobicContact CB-CD2 4.42Å; L766-L840 HydrophobicContact CB-CD2 4.16Å; L766-L840 WeakPolarHBondContact O-CD2 3.44Å; L767-L840 HydrophobicContact CD1-CD2 4.46Å; E836-L840 WeakPolarHBondContact O-CB 3.4Å; E836-L840 PolarHBondContact O-N 3.2Å; R837-L840 PolarHBondContact O-N 2.96Å; L840-C842 VanDerWaalsContact C-N 3.35Å; L840-C842 PolarHBondContact O-N 2.89Å; L840-Q843 PolarHBondContact O-N 2.87Å; L840-I844 HydrophobicContact CD1-CD1 3.91Å; L840-I844 HydrophobicContact CD1-CG1 4.34Å; L840-I844 HydrophobicContact CG-CD1 3.91Å; L840-I844 WeakPolarHBondContact O-CG1 3.49Å; L840-I844 PolarHBondContact O-N 3.22Å
841V93.5Very high92Very high1 Ų135.6 Ų35.61%0.00618%0.182CC..Hα-helixtrans-62.2-42.1179171.70000111.5T817 I820 R837 I838 Q839 Q843 I844 L845T817-V841 HydrophobicContact CG2-CG1 3.38Å; I820-V841 HydrophobicContact CD1-CG2 4.06Å; R837-V841 VanDerWaalsContact CZ-CG2 3.45Å; R837-V841 VanDerWaalsContact NH2-CG2 3.27Å; R837-V841 WeakPolarHBondContact O-CG2 3.41Å; R837-V841 PolarHBondContact O-N 3Å; R837-V841 VanDerWaalsContact O-N 3.09Å; I838-V841 PolarHBondContact O-N 3.09Å; Q839-V841 PolarHBondContact O-N 3.13Å; V841-Q843 VanDerWaalsContact C-N 3.34Å; V841-Q843 PolarHBondContact O-N 2.85Å; V841-I844 PolarHBondContact O-N 3.37Å; V841-L845 VanDerWaalsContact O-CB 3.31Å; V841-L845 WeakPolarHBondContact O-CB 3.35Å; V841-L845 PolarHBondContact O-N 3.41Å
842C93.8Very high92.7Very high5 Ų532.9 Ų32.93%0.03416%0.164CC..Hα-helixtrans-62.9-39.7175.6-71.40000112.3C741 L742 F746 I821 I838 Q839 L840 L845 Y846C741-C842 PolarHBondContact O-SG 2.86Å; L742-C842 HydrophobicContact CD2-CB 4.31Å; F746-C842 HydrophobicContact CD2-CB 3.9Å; F746-C842 HydrophobicContact CE2-CB 3.6Å; I821-C842 VanDerWaalsContact CD1-SG 3.54Å; I838-C842 WeakPolarHBondContact O-CB 3.28Å; I838-C842 PolarHBondContact O-N 2.83Å; I838-C842 PolarHBondContact O-SG 2.95Å; Q839-C842 PolarHBondContact O-N 2.75Å; L840-C842 VanDerWaalsContact C-N 3.35Å; L840-C842 PolarHBondContact O-N 2.89Å; C842-L845 PolarHBondContact O-N 2.91Å; C842-Y846 WeakPolarHBondContact O-CB 3.47Å; C842-Y846 PolarHBondContact O-N 3.22Å
843Q94Very high93.3Very high32 Ų3227.7 Ų27.715%0.1513%0.132CC..Hα-helixtrans-64.8-46.3175.6-73180-8.300111.7F746 F761 Q839 L840 V841 L845 Y846 V847F746-Q843 HydrophobicContact CE2-CG 4.01Å; F746-Q843 HydrophobicContact CZ-CG 4.28Å; F761-Q843 HydrophobicContact CE1-CB 4.05Å; F761-Q843 HydrophobicContact CZ-CB 3.98Å; Q839-Q843 WeakPolarHBondContact O-CG 3.44Å; Q839-Q843 PolarHBondContact O-N 2.85Å; L840-Q843 PolarHBondContact O-N 2.87Å; V841-Q843 VanDerWaalsContact C-N 3.34Å; V841-Q843 PolarHBondContact O-N 2.85Å; Q843-L845 VanDerWaalsContact C-N 3.34Å; Q843-L845 PolarHBondContact O-N 2.82Å; Q843-Y846 WeakPolarHBondContact O-CB 3.18Å; Q843-Y846 PolarHBondContact O-N 3.48Å; Q843-V847 WeakPolarHBondContact O-CG2 3.3Å; Q843-V847 PolarHBondContact O-N 2.79Å
844I95.7Very high93.9Very high0 Ų022 Ų220%010%0.103CC..Hα-helixtrans-62.5-43.3177-66.2162.6000110.8F761 L767 D771 I774 L775 Y813 L840 V841 Y846 V847 C848F761-I844 HydrophobicContact CD1-CG1 4.36Å; F761-I844 HydrophobicContact CD2-CG1 4.27Å; F761-I844 HydrophobicContact CE1-CG1 4.25Å; F761-I844 HydrophobicContact CE2-CG1 4.15Å; F761-I844 HydrophobicContact CG-CG1 4.39Å; F761-I844 HydrophobicContact CZ-CG1 4.15Å; L767-I844 HydrophobicContact CD1-CD1 3.77Å; D771-I844 HydrophobicContact CB-CD1 3.8Å; I774-I844 HydrophobicContact CG2-CG2 3.9Å; L775-I844 HydrophobicContact CD2-CG2 4.07Å; L775-I844 HydrophobicContact CG-CG2 4.22Å; Y813-I844 HydrophobicContact CE1-CG2 4.26Å; Y813-I844 WeakPolarHBondContact OH-CG2 3.39Å; L840-I844 HydrophobicContact CD1-CD1 3.91Å; L840-I844 HydrophobicContact CD1-CG1 4.34Å; L840-I844 HydrophobicContact CG-CD1 3.91Å; L840-I844 WeakPolarHBondContact O-CG1 3.49Å; L840-I844 PolarHBondContact O-N 3.22Å; V841-I844 PolarHBondContact O-N 3.37Å; I844-Y846 VanDerWaalsContact C-N 3.33Å; I844-Y846 PolarHBondContact O-N 3.12Å; I844-V847 PolarHBondContact O-N 3.2Å; I844-C848 WeakPolarHBondContact O-CB 3.48Å; I844-C848 PolarHBondContact O-N 3.33Å; I844-C848 PolarHBondContact O-SG 3.06Å
845L96.1Very high94.5Very high0 Ų018.9 Ų18.90%09%0.089CC..Hα-helixtrans-60.5-43.9176178.258.3000111.4A737 C741 L809 Y813 L814 V841 C842 Q843 V847 C848 I849A737-L845 HydrophobicContact CB-CD2 3.94Å; A737-L845 HydrophobicContact CB-CG 4.39Å; C741-L845 HydrophobicContact CB-CD2 3.85Å; L809-L845 HydrophobicContact CD1-CD1 3.96Å; Y813-L845 HydrophobicContact CD1-CD1 4.47Å; Y813-L845 HydrophobicContact CE1-CB 4.36Å; L814-L845 HydrophobicContact CD2-CD1 3.54Å; L814-L845 HydrophobicContact CD2-CD2 4.15Å; V841-L845 VanDerWaalsContact O-CB 3.31Å; V841-L845 WeakPolarHBondContact O-CB 3.35Å; V841-L845 PolarHBondContact O-N 3.41Å; C842-L845 PolarHBondContact O-N 2.91Å; Q843-L845 VanDerWaalsContact C-N 3.34Å; Q843-L845 PolarHBondContact O-N 2.82Å; L845-V847 VanDerWaalsContact C-N 3.34Å; L845-V847 PolarHBondContact O-N 2.64Å; L845-C848 PolarHBondContact O-N 3.11Å; L845-I849 HydrophobicContact CD1-CD1 3.83Å; L845-I849 HydrophobicContact CD1-CG1 4.1Å; L845-I849 HydrophobicContact CG-CD1 3.93Å; L845-I849 WeakPolarHBondContact O-CB 3.35Å; L845-I849 WeakPolarHBondContact O-CG1 3.4Å; L845-I849 PolarHBondContact O-N 3.48Å
846Y95.2Very high95.1Very high8 Ų813.6 Ų13.63%0.0316%0.063CC..Hα-helixtrans-57.9-46.3174.7179.7-85.8000111.4L742 F746 P748 P749 M751 C842 Q843 I844 I849 N850 L871L742-Y846 HydrophobicContact CD1-CD2 4.06Å; L742-Y846 HydrophobicContact CD2-CD2 4.48Å; F746-Y846 AromaticContact CE1-CD2 3.76Å; F746-Y846 HydrophobicContact CE1-CD2 3.76Å; F746-Y846 HydrophobicContact CE1-CE2 4.42Å; F746-Y846 HydrophobicContact CE1-CG 4.07Å; F746-Y846 HydrophobicContact CZ-CD2 4.32Å; F746-Y846 HydrophobicContact CZ-CG 4.19Å; P748-Y846 HydrophobicContact CB-CD1 4.35Å; P748-Y846 HydrophobicContact CB-CD2 4.33Å; P748-Y846 HydrophobicContact CB-CE1 3.95Å; P748-Y846 HydrophobicContact CB-CE2 3.92Å; P749-Y846 HydrophobicContact CG-CD1 3.9Å; P749-Y846 HydrophobicContact CG-CE1 4.41Å; M751-Y846 HydrophobicContact CG-CE1 3.83Å; M751-Y846 HydrophobicContact SD-CD1 4.31Å; M751-Y846 HydrophobicContact SD-CE1 4.07Å; C842-Y846 WeakPolarHBondContact O-CB 3.47Å; C842-Y846 PolarHBondContact O-N 3.22Å; Q843-Y846 WeakPolarHBondContact O-CB 3.18Å; Q843-Y846 PolarHBondContact O-N 3.48Å; I844-Y846 VanDerWaalsContact C-N 3.33Å; I844-Y846 PolarHBondContact O-N 3.12Å; Y846-I849 PolarHBondContact O-N 2.9Å; Y846-N850 HydrophobicContact CE1-CB 4.33Å; Y846-N850 WeakPolarHBondContact O-CB 3.34Å; Y846-N850 PolarHBondContact O-N 2.83Å; Y846-N850 PolarHBondContact OH-ND2 2.99Å; Y846-L871 HydrophobicContact CE2-CB 4.37Å
847V94.9Very high95.4Very high0 Ų09.5 Ų9.50%04%0.044CC..Hα-helixtrans-64.4-43.4179175.60000111.8P749 M751 L757 F758 F761 L778 Q843 I844 L845 N850 C851P749-V847 HydrophobicContact CG-CG2 3.76Å; M751-V847 HydrophobicContact CE-CG1 4.39Å; M751-V847 HydrophobicContact SD-CG2 3.79Å; L757-V847 HydrophobicContact CD2-CG2 3.7Å; F758-V847 HydrophobicContact CE1-CG1 3.57Å; F758-V847 HydrophobicContact CZ-CG1 3.9Å; F761-V847 HydrophobicContact CE2-CB 4.49Å; F761-V847 HydrophobicContact CE2-CG2 3.93Å; F761-V847 HydrophobicContact CZ-CG2 4.16Å; L778-V847 HydrophobicContact CD2-CG1 4.32Å; Q843-V847 WeakPolarHBondContact O-CG2 3.3Å; Q843-V847 PolarHBondContact O-N 2.79Å; I844-V847 PolarHBondContact O-N 3.2Å; L845-V847 VanDerWaalsContact C-N 3.34Å; L845-V847 PolarHBondContact O-N 2.64Å; V847-N850 PolarHBondContact O-N 2.62Å; V847-C851 WeakPolarHBondContact O-CB 3.27Å; V847-C851 PolarHBondContact O-N 3.25Å; V847-C851 PolarHBondContact O-SG 3.24Å; V847-C851 VanDerWaalsContact O-SG 3.33Å
848C97.3Very high95.9Very high0 Ų08 Ų80%04%0.038CC..Hα-helixtrans-59.9-46.6176.7-71.30000111.8F804 L809 I844 L845 G852F804-C848 HydrophobicContact CZ-CB 4.03Å; L809-C848 HydrophobicContact CD1-CB 4.19Å; I844-C848 WeakPolarHBondContact O-CB 3.48Å; I844-C848 PolarHBondContact O-N 3.33Å; I844-C848 PolarHBondContact O-SG 3.06Å; L845-C848 PolarHBondContact O-N 3.11Å; C848-G852 WeakPolarHBondContact O-CA 3.17Å; C848-G852 PolarHBondContact O-N 3.45Å
849I97.5Very high96.2Very high1 Ų17.4 Ų7.41%0.0054%0.035CC..Hα-helixtrans-64.3-50.2176.9-69.9171.7000109.9V734 A737 W805 L809 L845 Y846 C851 G852 L853 L871V734-I849 HydrophobicContact CG2-CG2 3.85Å; A737-I849 HydrophobicContact CB-CD1 3.39Å; W805-I849 HydrophobicContact CH2-CB 4.37Å; W805-I849 HydrophobicContact CH2-CG1 4.19Å; W805-I849 HydrophobicContact CH2-CG2 4.13Å; L809-I849 HydrophobicContact CD2-CG1 4.42Å; L845-I849 HydrophobicContact CD1-CD1 3.83Å; L845-I849 HydrophobicContact CD1-CG1 4.1Å; L845-I849 HydrophobicContact CG-CD1 3.93Å; L845-I849 WeakPolarHBondContact O-CB 3.35Å; L845-I849 WeakPolarHBondContact O-CG1 3.4Å; L845-I849 PolarHBondContact O-N 3.48Å; Y846-I849 PolarHBondContact O-N 2.9Å; I849-C851 PolarHBondContact O-N 3.13Å; I849-G852 PolarHBondContact O-N 3.37Å; I849-L853 HydrophobicContact CG2-CD1 3.97Å; I849-L853 HydrophobicContact CG2-CG 4.26Å; I849-L853 WeakPolarHBondContact O-CB 3.46Å; I849-L853 VanDerWaalsContact O-CG 3.24Å; I849-L853 WeakPolarHBondContact O-CG 3.43Å; I849-L853 PolarHBondContact O-N 3.49Å; I849-L871 HydrophobicContact CG2-CD1 3.34Å; I849-L871 HydrophobicContact CG2-CD2 4.15Å; I849-L871 HydrophobicContact CG2-CG 4.34Å
850N95.4Very high96.6Very high2 Ų22.9 Ų2.91%0.0111%0.014CC..Hα-helixtrans-61.3-49.6-175.9-167.8-53.9000111.4M751 Y846 V847 L853 R854M751-N850 HydrophobicContact CE-CB 3.78Å; Y846-N850 HydrophobicContact CE1-CB 4.33Å; Y846-N850 WeakPolarHBondContact O-CB 3.34Å; Y846-N850 PolarHBondContact O-N 2.83Å; Y846-N850 PolarHBondContact OH-ND2 2.99Å; V847-N850 PolarHBondContact O-N 2.62Å; N850-L853 PolarHBondContact O-N 2.98Å; N850-R854 WeakPolarHBondContact O-CG 3.38Å; N850-R854 PolarHBondContact O-N 3.32Å; N850-R854 VanDerWaalsContact O-N 3.13Å; N850-R854 PolarHBondContact OD1-NE 2.81Å; N850-R854 PolarHBondContact OD1-NH2 2.84Å
851C96.6Very high96.8Very high2 Ų22.8 Ų2.81%0.0141%0.013CC..Hα-helixtrans-64.9-43.1175.6-64.60000111.7L778 V847 I849 L853 R854 L855 P893L778-C851 HydrophobicContact CD1-CB 3.77Å; L778-C851 HydrophobicContact CD2-CB 4.07Å; L778-C851 HydrophobicContact CG-CB 4.44Å; V847-C851 WeakPolarHBondContact O-CB 3.27Å; V847-C851 PolarHBondContact O-N 3.25Å; V847-C851 PolarHBondContact O-SG 3.24Å; V847-C851 VanDerWaalsContact O-SG 3.33Å; I849-C851 PolarHBondContact O-N 3.13Å; C851-L853 VanDerWaalsContact C-N 3.32Å; C851-L853 PolarHBondContact O-N 3.1Å; C851-R854 PolarHBondContact O-N 3.12Å; C851-L855 WeakPolarHBondContact O-CG 3.41Å; C851-L855 PolarHBondContact O-N 2.95Å; C851-P893 HydrophobicContact CB-CG 4.23Å
852G97.9Very high97.1Very high0 Ų03 Ų30%01%0.014CC..Hα-helixtrans-61.3-36.3178.500000113.5W805 C848 I849 L856W805-G852 PolarHBondContact NE1-O 2.91Å; C848-G852 WeakPolarHBondContact O-CA 3.17Å; C848-G852 PolarHBondContact O-N 3.45Å; I849-G852 PolarHBondContact O-N 3.37Å; G852-L856 PolarHBondContact O-N 3.43Å
853L98.5Very high97.3Very high0 Ų02.8 Ų2.80%01%0.013CC..Hα-helixtrans-70-42.2174.1-69178.8000111.3W805 I849 N850 C851 L855 L856 H857 T864 L867 L871 L887W805-L853 HydrophobicContact CH2-CD2 4.16Å; W805-L853 HydrophobicContact CH2-CG 4.39Å; W805-L853 HydrophobicContact CZ2-CD2 3.83Å; W805-L853 HydrophobicContact CZ2-CG 4.01Å; I849-L853 HydrophobicContact CG2-CD1 3.97Å; I849-L853 HydrophobicContact CG2-CG 4.26Å; I849-L853 WeakPolarHBondContact O-CB 3.46Å; I849-L853 VanDerWaalsContact O-CG 3.24Å; I849-L853 WeakPolarHBondContact O-CG 3.43Å; I849-L853 PolarHBondContact O-N 3.49Å; N850-L853 PolarHBondContact O-N 2.98Å; C851-L853 VanDerWaalsContact C-N 3.32Å; C851-L853 PolarHBondContact O-N 3.1Å; L853-L855 VanDerWaalsContact C-N 3.33Å; L853-L855 PolarHBondContact O-N 2.73Å; L853-L856 PolarHBondContact O-N 2.72Å; L853-H857 PolarHBondContact O-N 2.87Å; L853-T864 HydrophobicContact CD2-CG2 4.16Å; L853-T864 WeakPolarHBondContact O-CG2 3.39Å; L853-L867 HydrophobicContact CD1-CB 3.82Å; L853-L867 HydrophobicContact CD2-CB 4.05Å; L853-L867 HydrophobicContact CD2-CD1 4.03Å; L853-L871 HydrophobicContact CD1-CD1 3.53Å; L853-L887 HydrophobicContact CB-CD1 4.37Å
854R97.8Very high97.5Very high6 Ų61.3 Ų1.32%0.0231%0.006CC..Hα-helixtrans-60.2-42.4174.4-66.7174.4-165.9-163.314.2111.7M138 N850 C851 L856 H857 P858 L887 S891 Y892 P893M138-R854 HydrophobicContact CE-CB 4.18Å; N850-R854 WeakPolarHBondContact O-CG 3.38Å; N850-R854 PolarHBondContact O-N 3.32Å; N850-R854 VanDerWaalsContact O-N 3.13Å; N850-R854 PolarHBondContact OD1-NE 2.81Å; N850-R854 PolarHBondContact OD1-NH2 2.84Å; C851-R854 PolarHBondContact O-N 3.12Å; R854-L856 VanDerWaalsContact C-N 3.33Å; R854-L856 PolarHBondContact O-N 3.01Å; R854-H857 PolarHBondContact O-N 3.48Å; R854-P858 WeakPolarHBondContact O-CD 3.34Å; R854-L887 HydrophobicContact CG-CD2 3.67Å; R854-S891 WeakPolarHBondContact CD-O 3.36Å; R854-S891 PolarHBondContact NH1-O 2.89Å; R854-Y892 WeakPolarHBondContact O-CE2 3.47Å; R854-P893 HydrophobicContact CB-CG 4.09Å
855L98.5Very high97.6Very high1 Ų11.3 Ų1.31%0.0051%0.006CC..Hα-helixtrans-62-39.1177.7-70.8-178.2000112.7A781 V782 C785 C851 L853 Y892 P893A781-L855 HydrophobicContact CB-CD1 4.02Å; V782-L855 HydrophobicContact CG2-CD1 3.83Å; V782-L855 HydrophobicContact CG2-CD2 4.08Å; V782-L855 HydrophobicContact CG2-CG 4.31Å; C785-L855 HydrophobicContact CB-CD2 3.97Å; C851-L855 WeakPolarHBondContact O-CG 3.41Å; C851-L855 PolarHBondContact O-N 2.95Å; L853-L855 VanDerWaalsContact C-N 3.33Å; L853-L855 PolarHBondContact O-N 2.73Å; L855-Y892 WeakPolarHBondContact CA-OH 3.36Å; L855-Y892 HydrophobicContact CD2-CD1 4.44Å; L855-Y892 HydrophobicContact CD2-CE1 3.6Å; L855-Y892 HydrophobicContact CD2-CE2 4.26Å; L855-Y892 VanDerWaalsContact CD2-CZ 3.49Å; L855-Y892 WeakPolarHBondContact CD2-OH 3.48Å; L855-Y892 PolarHBondContact O-OH 3.45Å; L855-Y892 VanDerWaalsContact O-OH 3.14Å; L855-P893 HydrophobicContact CD2-CB 4.3Å; L855-P893 HydrophobicContact CD2-CG 4.09Å; L855-P893 HydrophobicContact CG-CG 4.32Å
856L98.6Very high97.6Very high0 Ų01.3 Ų1.30%01%0.006CC..Hα-helixtrans-77-25.9178.6-82.2175.4000113.8I701 F726 L730 C801 W805 G852 L853 R854 P858 F859 M860 T864I701-L856 HydrophobicContact CD1-CD2 3.91Å; F726-L856 HydrophobicContact CE1-CD1 4.33Å; F726-L856 HydrophobicContact CE1-CD2 4.2Å; F726-L856 HydrophobicContact CZ-CD1 4.37Å; L730-L856 HydrophobicContact CD1-CD1 3.69Å; L730-L856 HydrophobicContact CD2-CD1 4Å; C801-L856 HydrophobicContact CB-CD2 3.44Å; C801-L856 VanDerWaalsContact CB-CD2 3.44Å; C801-L856 HydrophobicContact CB-CG 3.99Å; W805-L856 HydrophobicContact CG-CD1 4.28Å; W805-L856 VanDerWaalsContact NE1-CD1 3.32Å; G852-L856 PolarHBondContact O-N 3.43Å; L853-L856 PolarHBondContact O-N 2.72Å; R854-L856 VanDerWaalsContact C-N 3.33Å; R854-L856 PolarHBondContact O-N 3.01Å; L856-P858 VanDerWaalsContact C-CD 3.48Å; L856-F859 PolarHBondContact O-N 3.31Å; L856-M860 HydrophobicContact CD1-SD 4.41Å; L856-M860 HydrophobicContact CD2-SD 3.79Å; L856-M860 PolarHBondContact O-N 3.46Å; L856-T864 HydrophobicContact CB-CG2 3.58Å
857H98.7Very high97.6Very high0 Ų00.9 Ų0.90%00%0.004CC..THydrogen-bonded Turntrans-53.7-40.4-170.1-173.570.6000115.1R134 M138 L853 R854 F859 M860 P861 T864 E865 L887 C888R134-H857 PolarHBondContact NH1-NE2 2.86Å; M138-H857 HydrophobicContact CE-CB 4.24Å; M138-H857 HydrophobicContact SD-CB 4.32Å; L853-H857 PolarHBondContact O-N 2.87Å; R854-H857 PolarHBondContact O-N 3.48Å; H857-F859 PolarHBondContact O-N 3.02Å; H857-M860 PolarHBondContact O-N 3.41Å; H857-P861 WeakPolarHBondContact O-CA 3.38Å; H857-T864 WeakPolarHBondContact CA-OG1 3.27Å; H857-T864 PolarHBondContact ND1-OG1 2.93Å; H857-E865 IonicContact CE1-OE2 3.76Å; H857-L887 HydrophobicContact CB-CB 4.32Å; H857-L887 HydrophobicContact CB-CD1 4.11Å; H857-L887 PolarHBondContact CD2-O 3.48Å; H857-L887 VanDerWaalsContact CE1-CB 3.5Å; H857-L887 WeakPolarHBondContact CE1-CB 3.46Å; H857-L887 WeakPolarHBondContact ND1-CB 3.43Å; H857-C888 PolarHBondContact NE2-N 3.33Å
858P98.5Very high97.6Very high0 Ų01 Ų10%01%0.005CC..THydrogen-bonded Turntrans-56.6-31.1173.7-29.538000114.5A131 R134 W135 M138 R700 F789 R854 L856 Y892A131-P858 WeakPolarHBondContact CA-O 3.49Å; A131-P858 HydrophobicContact CB-CB 4.21Å; A131-P858 WeakPolarHBondContact CB-O 3.33Å; R134-P858 HydrophobicContact CB-CB 4.21Å; R134-P858 HydrophobicContact CB-CG 4.42Å; W135-P858 HydrophobicContact CB-CG 4.45Å; M138-P858 HydrophobicContact SD-CG 4.11Å; R700-P858 PolarHBondContact NH2-O 3.12Å; F789-P858 HydrophobicContact CE1-CB 4.41Å; F789-P858 HydrophobicContact CE2-CB 4.39Å; F789-P858 HydrophobicContact CE2-CG 4.38Å; F789-P858 HydrophobicContact CZ-CB 3.64Å; F789-P858 HydrophobicContact CZ-CG 4.07Å; R854-P858 WeakPolarHBondContact O-CD 3.34Å; L856-P858 VanDerWaalsContact C-CD 3.48Å; P858-Y892 HydrophobicContact CG-CD2 4.41Å; P858-Y892 HydrophobicContact CG-CE2 3.76Å
859F98.6Very high97.4Very high1 Ų11.2 Ų1.20%0.0041%0.006CC..THydrogen-bonded Turntrans-96.8-32.5-178.7-56.5-66.7000112.9A131 R700 I701 C704 F789 F794 A797 T798 L856 H857A131-F859 HydrophobicContact CB-CD1 3.93Å; A131-F859 HydrophobicContact CB-CE1 3.84Å; R700-F859 WeakPolarHBondContact CB-O 3.34Å; R700-F859 PolarHBondContact NE-O 3.4Å; I701-F859 HydrophobicContact CB-CB 4.19Å; I701-F859 HydrophobicContact CG1-CB 4.17Å; C704-F859 HydrophobicContact CB-CD1 3.8Å; C704-F859 HydrophobicContact CB-CE1 3.89Å; F789-F859 HydrophobicContact CE1-CE1 4.44Å; F789-F859 HydrophobicContact CE1-CZ 4.06Å; F789-F859 AromaticContact CE2-CE2 3.83Å; F789-F859 HydrophobicContact CE2-CE2 3.83Å; F789-F859 AromaticContact CE2-CZ 3.76Å; F789-F859 HydrophobicContact CE2-CZ 3.76Å; F789-F859 AromaticContact CZ-CE1 3.97Å; F789-F859 HydrophobicContact CZ-CE1 3.97Å; F789-F859 AromaticContact CZ-CE2 3.68Å; F789-F859 HydrophobicContact CZ-CE2 3.68Å; F789-F859 AromaticContact CZ-CZ 3.3Å; F789-F859 HydrophobicContact CZ-CZ 3.3Å; F794-F859 HydrophobicContact CB-CE1 4.36Å; F794-F859 HydrophobicContact CD1-CE1 4.19Å; F794-F859 HydrophobicContact CD1-CZ 4.4Å; A797-F859 HydrophobicContact CB-CE2 3.9Å; A797-F859 HydrophobicContact CB-CZ 3.88Å; T798-F859 HydrophobicContact CG2-CD1 3.92Å; T798-F859 HydrophobicContact CG2-CD2 4.11Å; T798-F859 HydrophobicContact CG2-CE1 3.88Å; T798-F859 HydrophobicContact CG2-CE2 4.06Å; T798-F859 HydrophobicContact CG2-CG 4.03Å; T798-F859 HydrophobicContact CG2-CZ 3.95Å; L856-F859 PolarHBondContact O-N 3.31Å; H857-F859 PolarHBondContact O-N 3.02Å
860M98.6Very high97.1Very high0 Ų01.9 Ų1.90%01%0.008CC..  trans-131.863-169.5-59.9-177.676.900111.4D697 I701 F726 C727 L730 L856 H857 F862 I863 T864D697-M860 HydrophobicContact CB-CB 3.77Å; D697-M860 HydrophobicContact CB-CE 3.85Å; D697-M860 HydrophobicContact CB-CG 3.98Å; D697-M860 VanDerWaalsContact CG-C 3.49Å; D697-M860 VanDerWaalsContact OD1-CA 3.24Å; D697-M860 WeakPolarHBondContact OD1-CA 3.48Å; I701-M860 HydrophobicContact CB-CG 3.9Å; I701-M860 HydrophobicContact CB-SD 4.25Å; I701-M860 HydrophobicContact CD1-CG 4.04Å; I701-M860 HydrophobicContact CD1-SD 3.54Å; I701-M860 VanDerWaalsContact CD1-SD 3.54Å; I701-M860 HydrophobicContact CG1-CG 4.48Å; I701-M860 HydrophobicContact CG1-SD 4.48Å; I701-M860 HydrophobicContact CG2-CG 4.26Å; I701-M860 HydrophobicContact CG2-SD 4.2Å; F726-M860 HydrophobicContact CD1-CE 4.24Å; F726-M860 HydrophobicContact CD1-SD 4.17Å; F726-M860 HydrophobicContact CE1-SD 3.96Å; C727-M860 WeakPolarHBondContact SG-CE 3.47Å; L730-M860 HydrophobicContact CD1-CE 4.09Å; L730-M860 HydrophobicContact CD1-SD 4.3Å; L856-M860 HydrophobicContact CD1-SD 4.41Å; L856-M860 HydrophobicContact CD2-SD 3.79Å; L856-M860 PolarHBondContact O-N 3.46Å; H857-M860 PolarHBondContact O-N 3.41Å; M860-F862 VanDerWaalsContact C-N 3.34Å; M860-F862 PolarHBondContact O-N 3.47Å; M860-I863 HydrophobicContact CB-CG2 4.07Å; M860-I863 HydrophobicContact CE-CG2 3.94Å; M860-T864 HydrophobicContact CB-CG2 4.24Å; M860-T864 WeakPolarHBondContact O-CB 3.31Å; M860-T864 WeakPolarHBondContact O-CG2 3.08Å; M860-T864 PolarHBondContact O-N 3.05Å; M860-T864 PolarHBondContact O-OG1 3.38Å
861P98.3Very high96.8Very high0 Ų01.8 Ų1.80%01%0.007CC..Hα-helixtrans-65.1-29.6-168.227.3-38.1000114.9W87 D697 R700 H857 T864 E865W87-P861 HydrophobicContact CH2-CB 3.89Å; W87-P861 HydrophobicContact CZ3-CB 4.42Å; D697-P861 WeakPolarHBondContact OD1-CD 3.39Å; R700-P861 VanDerWaalsContact CZ-CD 3.47Å; H857-P861 WeakPolarHBondContact O-CA 3.38Å; P861-T864 PolarHBondContact O-OG1 3.02Å; P861-E865 WeakPolarHBondContact O-CB 3.14Å; P861-E865 PolarHBondContact O-N 3.36Å
862F98.4Very high96.2Very high6 Ų62.6 Ų2.63%0.0261%0.012CC..Hα-helixtrans-78.4-54.2-172.4-68.9-82.3000112.7V79 E80 W83 Y84 W87 T696 D697 M860 T864 E865 E866V79-F862 HydrophobicContact CG1-CB 4.4Å; E80-F862 HydrophobicContact CB-CB 4.48Å; E80-F862 HydrophobicContact CB-CD1 3.95Å; E80-F862 HydrophobicContact CB-CE1 4.3Å; E80-F862 HydrophobicContact CB-CG 4.17Å; E80-F862 HydrophobicContact CG-CB 3.76Å; E80-F862 HydrophobicContact CG-CD1 4.02Å; E80-F862 HydrophobicContact CG-CD2 4.07Å; E80-F862 HydrophobicContact CG-CG 3.7Å; W83-F862 HydrophobicContact CB-CD1 4.09Å; W83-F862 HydrophobicContact CB-CE1 4.38Å; Y84-F862 HydrophobicContact CD2-CZ 4.38Å; W87-F862 AromaticContact CH2-CD1 3.62Å; W87-F862 HydrophobicContact CH2-CD1 3.62Å; W87-F862 AromaticContact CH2-CE1 3.81Å; W87-F862 HydrophobicContact CH2-CE1 3.81Å; W87-F862 HydrophobicContact CH2-CG 4.04Å; W87-F862 HydrophobicContact CH2-CZ 4.34Å; W87-F862 AromaticContact CZ3-CD1 4Å; W87-F862 HydrophobicContact CZ3-CD1 4Å; W87-F862 AromaticContact CZ3-CE1 3.67Å; W87-F862 HydrophobicContact CZ3-CE1 3.67Å; W87-F862 HydrophobicContact CZ3-CE2 4.5Å; W87-F862 AromaticContact CZ3-CZ 3.95Å; W87-F862 HydrophobicContact CZ3-CZ 3.95Å; T696-F862 HydrophobicContact CG2-CD2 3.98Å; T696-F862 HydrophobicContact CG2-CE2 3.62Å; D697-F862 PolarHBondContact OD1-N 2.88Å; D697-F862 VanDerWaalsContact OD1-N 3.1Å; D697-F862 WeakPolarHBondContact OD2-CB 3.35Å; D697-F862 PolarHBondContact OD2-N 3.36Å; M860-F862 VanDerWaalsContact C-N 3.34Å; M860-F862 PolarHBondContact O-N 3.47Å; F862-T864 VanDerWaalsContact C-N 3.3Å; F862-T864 PolarHBondContact O-N 3.34Å; F862-E865 PolarHBondContact O-N 3.28Å; F862-E866 WeakPolarHBondContact O-CB 3.24Å; F862-E866 PolarHBondContact O-N 3.34Å
863I98Very high95.1Very high0 Ų05.9 Ų5.90%03%0.028CC..Hα-helixtrans-66.1-36.6179.7-164.8171.2000111.2Y74 V79 D697 C727 L730 M860 L867Y74-I863 HydrophobicContact CD2-CD1 3.98Å; Y74-I863 HydrophobicContact CE2-CD1 3.73Å; Y74-I863 HydrophobicContact CE2-CG1 4.31Å; V79-I863 HydrophobicContact CG1-CB 4.03Å; V79-I863 HydrophobicContact CG1-CG1 4.31Å; D697-I863 HydrophobicContact CB-CG2 4.4Å; D697-I863 VanDerWaalsContact OD2-CB 3.31Å; D697-I863 WeakPolarHBondContact OD2-CB 3.33Å; D697-I863 WeakPolarHBondContact OD2-CG2 3.43Å; D697-I863 PolarHBondContact OD2-N 2.98Å; C727-I863 HydrophobicContact CB-CD1 3.68Å; C727-I863 VanDerWaalsContact O-CD1 3.28Å; C727-I863 WeakPolarHBondContact O-CD1 3.29Å; L730-I863 HydrophobicContact CB-CD1 4.3Å; L730-I863 HydrophobicContact CD1-CG2 4.38Å; M860-I863 HydrophobicContact CB-CG2 4.07Å; M860-I863 HydrophobicContact CE-CG2 3.94Å; I863-L867 HydrophobicContact CD1-CD1 4.32Å; I863-L867 HydrophobicContact CG1-CD1 3.81Å; I863-L867 HydrophobicContact CG1-CG 4.1Å; I863-L867 WeakPolarHBondContact O-CB 3.21Å; I863-L867 WeakPolarHBondContact O-CG 3.38Å; I863-L867 PolarHBondContact O-N 3Å
864T98.3Very high93.6Very high0 Ų09.2 Ų9.20%04%0.041CC..Hα-helixtrans-67.8-41178.455.40000111.2L853 L856 H857 M860 P861 F862 Y868 L887L853-T864 HydrophobicContact CD2-CG2 4.16Å; L853-T864 WeakPolarHBondContact O-CG2 3.39Å; L856-T864 HydrophobicContact CB-CG2 3.58Å; H857-T864 WeakPolarHBondContact CA-OG1 3.27Å; H857-T864 PolarHBondContact ND1-OG1 2.93Å; M860-T864 HydrophobicContact CB-CG2 4.24Å; M860-T864 WeakPolarHBondContact O-CB 3.31Å; M860-T864 WeakPolarHBondContact O-CG2 3.08Å; M860-T864 PolarHBondContact O-N 3.05Å; M860-T864 PolarHBondContact O-OG1 3.38Å; P861-T864 PolarHBondContact O-OG1 3.02Å; F862-T864 VanDerWaalsContact C-N 3.3Å; F862-T864 PolarHBondContact O-N 3.34Å; T864-Y868 WeakPolarHBondContact O-CB 3.29Å; T864-Y868 PolarHBondContact O-N 3.23Å; T864-L887 VanDerWaalsContact C-CD1 3.49Å; T864-L887 VanDerWaalsContact O-CD1 3.31Å; T864-L887 WeakPolarHBondContact O-CD1 3.39Å
865E97.3Very high91.7Very high0 Ų011 Ų110%05%0.054CC..Hα-helixtrans-62.8-51.7174.2-171.171.9-142.300111.1W83 W86 W87 H857 P861 F862 L867 Y868 Q869 S886 L887W83-E865 HydrophobicContact CD2-CG 4.12Å; W83-E865 HydrophobicContact CE3-CG 4.04Å; W83-E865 HydrophobicContact CZ3-CG 4.44Å; W86-E865 HydrophobicContact CZ3-CG 4.33Å; W86-E865 WeakPolarHBondContact CZ3-OE1 3.46Å; W87-E865 HydrophobicContact CZ2-CB 3.76Å; W87-E865 HydrophobicContact CZ2-CG 3.85Å; H857-E865 IonicContact CE1-OE2 3.76Å; P861-E865 WeakPolarHBondContact O-CB 3.14Å; P861-E865 PolarHBondContact O-N 3.36Å; F862-E865 PolarHBondContact O-N 3.28Å; E865-L867 VanDerWaalsContact C-N 3.31Å; E865-L867 PolarHBondContact O-N 3.33Å; E865-Y868 PolarHBondContact O-N 2.95Å; E865-Y868 VanDerWaalsContact O-N 3.16Å; E865-Q869 HydrophobicContact CG-CG 4.31Å; E865-Q869 VanDerWaalsContact O-CG 3.26Å; E865-Q869 WeakPolarHBondContact O-CG 3.5Å; E865-Q869 PolarHBondContact O-N 3.23Å; E865-Q869 PolarHBondContact OE1-NE2 2.86Å; E865-S886 VanDerWaalsContact CD-OG 3.25Å; E865-S886 WeakPolarHBondContact OE1-CA 3.11Å; E865-S886 PolarHBondContact OE1-OG 3.36Å; E865-S886 VanDerWaalsContact OE1-OG 3.08Å; E865-S886 PolarHBondContact OE2-OG 3.5Å; E865-L887 WeakPolarHBondContact OE2-CB 3.31Å; E865-L887 PolarHBondContact OE2-N 2.98Å
866E96Very high89.7Confident0 Ų013.4 Ų13.40%07%0.067CC..Hα-helixtrans-52.3-48.3177.6172.777.3-163.700112K64 M66 V79 W83 W731 F862 R870K64-E866 WeakPolarHBondContact CE-OE2 3.26Å; K64-E866 IonicContact NZ-OE1 3.97Å; K64-E866 IonicContact NZ-OE2 2.7Å; K64-E866 PolarHBondContact NZ-OE2 2.96Å; M66-E866 HydrophobicContact CE-CG 4.45Å; M66-E866 WeakPolarHBondContact CE-OE1 2.82Å; V79-E866 HydrophobicContact CG1-CB 3.96Å; V79-E866 HydrophobicContact CG1-CG 4.2Å; V79-E866 HydrophobicContact CG2-CG 4.24Å; W83-E866 HydrophobicContact CZ2-CB 4.28Å; W83-E866 VanDerWaalsContact CZ2-OE2 3.27Å; W83-E866 WeakPolarHBondContact CZ2-OE2 3.29Å; W83-E866 PolarHBondContact NE1-OE2 2.96Å; W83-E866 VanDerWaalsContact NE1-OE2 3.1Å; W731-E866 HydrophobicContact CZ3-CG 3.92Å; F862-E866 WeakPolarHBondContact O-CB 3.24Å; F862-E866 PolarHBondContact O-N 3.34Å; E866-R870 WeakPolarHBondContact O-CG 3.4Å; E866-R870 PolarHBondContact O-N 3.42Å; E866-R870 IonicContact OE1-CZ 2.61Å; E866-R870 IonicContact OE1-NE 2.72Å; E866-R870 PolarHBondContact OE1-NE 3.39Å; E866-R870 VanDerWaalsContact OE1-NE 3.1Å; E866-R870 IonicContact OE1-NH2 3.63Å; E866-R870 PolarHBondContact OE1-NH2 3.49Å
867L96.1Very high87.4Confident0 Ų018.6 Ų18.60%010%0.095CC..Hα-helixtrans-71.2-37.1-178.7-65.8179000111.9M70 L730 W731 V734 L853 I863 E865 R870 L871M70-L867 HydrophobicContact CE-CD2 3.5Å; M70-L867 VanDerWaalsContact CE-CD2 3.5Å; L730-L867 HydrophobicContact CB-CD1 4.08Å; W731-L867 HydrophobicContact CE3-CD2 4Å; W731-L867 HydrophobicContact CZ3-CD2 4.34Å; V734-L867 HydrophobicContact CB-CD1 4.35Å; V734-L867 HydrophobicContact CB-CD2 3.94Å; V734-L867 HydrophobicContact CG1-CB 4.32Å; V734-L867 HydrophobicContact CG1-CD2 3.96Å; V734-L867 HydrophobicContact CG2-CB 4.32Å; V734-L867 HydrophobicContact CG2-CD1 3.92Å; V734-L867 HydrophobicContact CG2-CD2 4.36Å; V734-L867 HydrophobicContact CG2-CG 4.42Å; L853-L867 HydrophobicContact CD1-CB 3.82Å; L853-L867 HydrophobicContact CD2-CB 4.05Å; L853-L867 HydrophobicContact CD2-CD1 4.03Å; I863-L867 HydrophobicContact CD1-CD1 4.32Å; I863-L867 HydrophobicContact CG1-CD1 3.81Å; I863-L867 HydrophobicContact CG1-CG 4.1Å; I863-L867 WeakPolarHBondContact O-CB 3.21Å; I863-L867 WeakPolarHBondContact O-CG 3.38Å; I863-L867 PolarHBondContact O-N 3Å; E865-L867 VanDerWaalsContact C-N 3.31Å; E865-L867 PolarHBondContact O-N 3.33Å; L867-R870 PolarHBondContact O-N 3.01Å; L867-L871 WeakPolarHBondContact O-CG 3.49Å; L867-L871 PolarHBondContact O-N 2.67Å
868Y95Very high84.8Confident2 Ų224.8 Ų24.81%0.00813%0.128CC..Hα-helixtrans-65.6-42.7176.6178.8-104.3000112.1T864 E865 R870 L871 L872 D885 L887 K890T864-Y868 WeakPolarHBondContact O-CB 3.29Å; T864-Y868 PolarHBondContact O-N 3.23Å; E865-Y868 PolarHBondContact O-N 2.95Å; E865-Y868 VanDerWaalsContact O-N 3.16Å; Y868-R870 VanDerWaalsContact C-N 3.26Å; Y868-R870 PolarHBondContact O-N 2.74Å; Y868-L871 WeakPolarHBondContact O-CB 3.3Å; Y868-L871 PolarHBondContact O-N 3.33Å; Y868-L872 HydrophobicContact CD1-CD1 3.88Å; Y868-L872 HydrophobicContact CD1-CG 4.21Å; Y868-L872 HydrophobicContact CE1-CD1 3.41Å; Y868-L872 VanDerWaalsContact CE1-CD1 3.41Å; Y868-L872 HydrophobicContact CE1-CD2 4.25Å; Y868-L872 HydrophobicContact CE1-CG 3.86Å; Y868-L872 HydrophobicContact CE2-CD2 4.45Å; Y868-L872 PolarHBondContact O-N 3.45Å; Y868-D885 PolarHBondContact OH-OD1 2.95Å; Y868-L887 HydrophobicContact CD1-CD2 3.98Å; Y868-L887 HydrophobicContact CD1-CG 3.66Å; Y868-L887 HydrophobicContact CD2-CD1 4.48Å; Y868-L887 HydrophobicContact CD2-CD2 3.64Å; Y868-L887 HydrophobicContact CD2-CG 4.03Å; Y868-L887 HydrophobicContact CE1-CD2 4.14Å; Y868-L887 HydrophobicContact CE1-CG 4.21Å; Y868-L887 HydrophobicContact CE2-CD2 3.84Å; Y868-L887 HydrophobicContact CG-CD1 4.01Å; Y868-L887 HydrophobicContact CG-CD2 3.71Å; Y868-L887 HydrophobicContact CG-CG 3.54Å; Y868-K890 WeakPolarHBondContact OH-CD 3.4Å; Y868-K890 WeakPolarHBondContact OH-CE 3.24Å; Y868-K890 PolarHBondContact OH-NZ 3.36Å
869Q93.2Very high82.3Confident5 Ų532.8 Ų32.82%0.02317%0.171CC..Hα-helixtrans-61.8-34.8176.9-66.9-59.2-26.500112.2K63 M66 W83 E865 L872 I873 D885K63-Q869 VanDerWaalsContact CE-OE1 3.3Å; M66-Q869 HydrophobicContact CE-CB 4.32Å; M66-Q869 HydrophobicContact CG-CB 4.14Å; W83-Q869 HydrophobicContact CH2-CB 4.03Å; W83-Q869 HydrophobicContact CH2-CG 3.69Å; W83-Q869 HydrophobicContact CZ2-CG 4.42Å; W83-Q869 HydrophobicContact CZ3-CG 4Å; E865-Q869 HydrophobicContact CG-CG 4.31Å; E865-Q869 VanDerWaalsContact O-CG 3.26Å; E865-Q869 WeakPolarHBondContact O-CG 3.5Å; E865-Q869 PolarHBondContact O-N 3.23Å; E865-Q869 PolarHBondContact OE1-NE2 2.86Å; Q869-L872 PolarHBondContact O-N 3.47Å; Q869-I873 PolarHBondContact O-N 2.96Å; Q869-D885 PolarHBondContact NE2-O 3.35Å
870R90.8Very high79.8Confident14 Ų1438 Ų385%0.05320%0.203CC..Hα-helixtrans-67.8-34.4173.3-67.7-178.3-178.5-80.9-2.3113M66 G68 Y78 L738 E866 L867 Y868M66-R870 HydrophobicContact CE-CG 3.29Å; G68-R870 PolarHBondContact O-NH1 3.24Å; Y78-R870 PolarHBondContact OH-NH2 3.08Å; Y78-R870 VanDerWaalsContact OH-NH2 3.1Å; L738-R870 HydrophobicContact CD1-CB 3.76Å; E866-R870 WeakPolarHBondContact O-CG 3.4Å; E866-R870 PolarHBondContact O-N 3.42Å; E866-R870 IonicContact OE1-CZ 2.61Å; E866-R870 IonicContact OE1-NE 2.72Å; E866-R870 PolarHBondContact OE1-NE 3.39Å; E866-R870 VanDerWaalsContact OE1-NE 3.1Å; E866-R870 IonicContact OE1-NH2 3.63Å; E866-R870 PolarHBondContact OE1-NH2 3.49Å; L867-R870 PolarHBondContact O-N 3.01Å; Y868-R870 VanDerWaalsContact C-N 3.26Å; Y868-R870 PolarHBondContact O-N 2.74Å
871L89.2Confident77.4Confident0 Ų042 Ų420%023%0.227CC..Hα-helixtrans-69.9-39.1175.2-67.1163.5000111.9V734 L738 L742 Y846 I849 L853 L867 Y868 I873 R874 S875V734-L871 HydrophobicContact CG1-CD2 4.43Å; L738-L871 HydrophobicContact CD2-CD2 4.05Å; L742-L871 HydrophobicContact CD1-CD2 3.78Å; Y846-L871 HydrophobicContact CE2-CB 4.37Å; I849-L871 HydrophobicContact CG2-CD1 3.34Å; I849-L871 HydrophobicContact CG2-CD2 4.15Å; I849-L871 HydrophobicContact CG2-CG 4.34Å; L853-L871 HydrophobicContact CD1-CD1 3.53Å; L867-L871 WeakPolarHBondContact O-CG 3.49Å; L867-L871 PolarHBondContact O-N 2.67Å; Y868-L871 WeakPolarHBondContact O-CB 3.3Å; Y868-L871 PolarHBondContact O-N 3.33Å; L871-I873 PolarHBondContact O-N 2.76Å; L871-R874 PolarHBondContact O-N 3.47Å; L871-S875 PolarHBondContact O-N 3.02Å
872L83.6Confident75.7Confident19 Ų1947 Ų4710%0.09925%0.254CS..Hα-helixtrans-63.2-39.4178.8-74.2-179.1000112.8Y868 Q869 R874 S875 N876 D885Y868-L872 HydrophobicContact CD1-CD1 3.88Å; Y868-L872 HydrophobicContact CD1-CG 4.21Å; Y868-L872 HydrophobicContact CE1-CD1 3.41Å; Y868-L872 VanDerWaalsContact CE1-CD1 3.41Å; Y868-L872 HydrophobicContact CE1-CD2 4.25Å; Y868-L872 HydrophobicContact CE1-CG 3.86Å; Y868-L872 HydrophobicContact CE2-CD2 4.45Å; Y868-L872 PolarHBondContact O-N 3.45Å; Q869-L872 PolarHBondContact O-N 3.47Å; L872-R874 PolarHBondContact O-N 3.1Å; L872-S875 WeakPolarHBondContact O-CA 3.25Å; L872-S875 WeakPolarHBondContact O-CB 3.46Å; L872-S875 PolarHBondContact O-N 2.82Å; L872-N876 PolarHBondContact O-N 3.19Å; L872-D885 HydrophobicContact CD1-CB 3.84Å
873I74.8Confident73.9Confident69 Ų6950.4 Ų50.435%0.35428%0.275SS..Hα-helixtrans-61-33.1177.5-73.8173.9000111.7M66 Q869 L871 S875M66-I873 HydrophobicContact CB-CD1 3.33Å; M66-I873 WeakPolarHBondContact O-CD1 3.49Å; Q869-I873 PolarHBondContact O-N 2.96Å; L871-I873 PolarHBondContact O-N 2.76Å; I873-S875 PolarHBondContact O-N 3.18Å
874R66.4Low72.5Confident71 Ų7154.9 Ų54.927%0.26830%0.297SS..Hα-helixtrans-73.3-17.4173.4-62-55.9-179.3117.3-6113.4L738 L742 L871 L872L738-R874 HydrophobicContact CD2-CG 3.62Å; L738-R874 PolarHBondContact O-NH1 3.39Å; L742-R874 PolarHBondContact O-NH1 2.6Å; L871-R874 PolarHBondContact O-N 3.47Å; L872-R874 PolarHBondContact O-N 3.1Å
875S59.1Low71.8Confident42 Ų4256.6 Ų56.629%0.29431%0.306SS..Hα-helixtrans-83.4-26.8177.4-168.30000114P748 L871 L872 I873 N877P748-S875 WeakPolarHBondContact CG-OG 3.33Å; L871-S875 PolarHBondContact O-N 3.02Å; L872-S875 WeakPolarHBondContact O-CA 3.25Å; L872-S875 WeakPolarHBondContact O-CB 3.46Å; L872-S875 PolarHBondContact O-N 2.82Å; I873-S875 PolarHBondContact O-N 3.18Å; S875-N877 PolarHBondContact O-N 3.09Å
876N56.2Low71.6Confident53 Ų5356.6 Ų56.628%0.28331%0.306SS..  trans-100.176.4-173.8-71.2-19.2000111.1L872 V881L872-N876 PolarHBondContact O-N 3.19Å; N876-V881 HydrophobicContact CB-CG2 4.49Å
877N50.8Low71.6Confident108 Ų10856.6 Ų56.658%0.57831%0.306SS*.SBendtrans-72.1-21158.8-83.7-15.8000111.6K744 S875K744-N877 PolarHBondContact O-ND2 3.11Å; S875-N877 PolarHBondContact O-N 3.09Å
878N43.1Very low71.4Confident130 Ų13056.6 Ų56.670%0.69531%0.306SS*.SBendtrans-92.3118.3170.9-65.5-15.8000108.5T880N878-T880 PolarHBondContact O-N 3.2Å
879N45.5Very low71.2Confident169 Ų16958.1 Ų58.190%0.90432%0.316SS*.SBendtrans-56.622.3-173.2-82.8-26000117.8
880T46Very low71.2Confident111 Ų11160.5 Ų60.568%0.68133%0.326SS*.  trans-99.774.7172.251.60000110N878 N882N878-T880 PolarHBondContact O-N 3.2Å; T880-N882 PolarHBondContact O-N 3.41Å; T880-N882 VanDerWaalsContact O-N 3.15Å
881V50Low71.3Confident84 Ų8463.2 Ų63.251%0.50935%0.348SS..  trans-70.1108.7165.6-178.90000107.2N876 T883N876-V881 HydrophobicContact CB-CG2 4.49Å; V881-T883 PolarHBondContact O-N 3.21Å
882N61.1Low71.6Confident104 Ų10463.3 Ų63.356%0.55635%0.348SS*.  trans-63.7108.6164.5-173.6-9.2000107.3T880 M884 D885T880-N882 PolarHBondContact O-N 3.41Å; T880-N882 VanDerWaalsContact O-N 3.15Å; N882-M884 PolarHBondContact O-N 2.95Å; N882-M884 PolarHBondContact OD1-N 3.39Å; N882-M884 VanDerWaalsContact OD1-N 3.12Å; N882-D885 PolarHBondContact O-N 2.86Å
883T60.5Low72.2Confident78 Ų7862.4 Ų62.448%0.47934%0.343SS..THydrogen-bonded Turntrans-62.9-11-177.551.40000112.8V881V881-T883 PolarHBondContact O-N 3.21Å
884M69.6Low73Confident93 Ų9364 Ų6446%0.45835%0.347SS..THydrogen-bonded Turntrans-1045.5179.9-63.4-160.2170.900115.8F92 F97 N882 S886F92-M884 HydrophobicContact CE1-CB 4.46Å; F97-M884 HydrophobicContact CE2-SD 4.15Å; N882-M884 PolarHBondContact O-N 2.95Å; N882-M884 PolarHBondContact OD1-N 3.39Å; N882-M884 VanDerWaalsContact OD1-N 3.12Å; M884-S886 PolarHBondContact O-N 2.95Å
885D83.4Confident74.2Confident36 Ų3663.5 Ų63.519%0.19335%0.35CS..  trans-74.798.5175.7-161.2-15.1000110.3Y868 Q869 L872 N882 K890Y868-D885 PolarHBondContact OH-OD1 2.95Å; Q869-D885 PolarHBondContact NE2-O 3.35Å; L872-D885 HydrophobicContact CD1-CB 3.84Å; N882-D885 PolarHBondContact O-N 2.86Å; D885-K890 IonicContact OD1-NZ 2.78Å; D885-K890 PolarHBondContact OD1-NZ 3.14Å; D885-K890 IonicContact OD2-NZ 3.65Å; D885-K890 PolarHBondContact OD2-NZ 3.44Å
886S93.3Very high75.6Confident0 Ų067.9 Ų67.90%037%0.37CS..  trans-127.3147.2179.2177.50000110.7E865 M884 C888 V889 K890E865-S886 VanDerWaalsContact CD-OG 3.25Å; E865-S886 WeakPolarHBondContact OE1-CA 3.11Å; E865-S886 PolarHBondContact OE1-OG 3.36Å; E865-S886 VanDerWaalsContact OE1-OG 3.08Å; E865-S886 PolarHBondContact OE2-OG 3.5Å; M884-S886 PolarHBondContact O-N 2.95Å; S886-C888 PolarHBondContact O-N 3.29Å; S886-C888 WeakPolarHBondContact OG-CB 3.18Å; S886-C888 PolarHBondContact OG-N 2.85Å; S886-C888 VanDerWaalsContact OG-N 3.16Å; S886-V889 PolarHBondContact O-N 2.98Å; S886-V889 VanDerWaalsContact O-N 3.14Å; S886-K890 PolarHBondContact O-N 2.98Å; S886-K890 VanDerWaalsContact O-N 3.09Å
887L95Very high77.1Confident0 Ų067.1 Ų67.10%037%0.366CS..THydrogen-bonded Turntrans-63.3-20.6171.7-74.6-177.5000112.8L853 R854 H857 T864 E865 Y868 V889 K890L853-L887 HydrophobicContact CB-CD1 4.37Å; R854-L887 HydrophobicContact CG-CD2 3.67Å; H857-L887 HydrophobicContact CB-CB 4.32Å; H857-L887 HydrophobicContact CB-CD1 4.11Å; H857-L887 PolarHBondContact CD2-O 3.48Å; H857-L887 VanDerWaalsContact CE1-CB 3.5Å; H857-L887 WeakPolarHBondContact CE1-CB 3.46Å; H857-L887 WeakPolarHBondContact ND1-CB 3.43Å; T864-L887 VanDerWaalsContact C-CD1 3.49Å; T864-L887 VanDerWaalsContact O-CD1 3.31Å; T864-L887 WeakPolarHBondContact O-CD1 3.39Å; E865-L887 WeakPolarHBondContact OE2-CB 3.31Å; E865-L887 PolarHBondContact OE2-N 2.98Å; Y868-L887 HydrophobicContact CD1-CD2 3.98Å; Y868-L887 HydrophobicContact CD1-CG 3.66Å; Y868-L887 HydrophobicContact CD2-CD1 4.48Å; Y868-L887 HydrophobicContact CD2-CD2 3.64Å; Y868-L887 HydrophobicContact CD2-CG 4.03Å; Y868-L887 HydrophobicContact CE1-CD2 4.14Å; Y868-L887 HydrophobicContact CE1-CG 4.21Å; Y868-L887 HydrophobicContact CE2-CD2 3.84Å; Y868-L887 HydrophobicContact CG-CD1 4.01Å; Y868-L887 HydrophobicContact CG-CD2 3.71Å; Y868-L887 HydrophobicContact CG-CG 3.54Å; L887-V889 PolarHBondContact O-N 2.97Å; L887-V889 VanDerWaalsContact O-N 3.13Å; L887-K890 HydrophobicContact CD2-CB 4.14Å; L887-K890 PolarHBondContact O-N 3.36Å
888C93Very high79Confident0 Ų062 Ų620%034%0.339CS..THydrogen-bonded Turntrans-56-29.8174.1-70.20000112.7W87 F92 R134 R137 H857 S886W87-C888 VanDerWaalsContact CD1-SG 3.59Å; F92-C888 HydrophobicContact CB-CB 4.02Å; F92-C888 HydrophobicContact CD2-CB 4.09Å; F92-C888 HydrophobicContact CG-CB 4.22Å; R134-C888 PolarHBondContact NH1-SG 3.48Å; R134-C888 VanDerWaalsContact NH1-SG 3.43Å; R137-C888 WeakPolarHBondContact CD-O 3.24Å; H857-C888 PolarHBondContact NE2-N 3.33Å; S886-C888 PolarHBondContact O-N 3.29Å; S886-C888 WeakPolarHBondContact OG-CB 3.18Å; S886-C888 PolarHBondContact OG-N 2.85Å; S886-C888 VanDerWaalsContact OG-N 3.16Å
889V91.3Very high81Confident34 Ų3459.7 Ų59.721%0.20633%0.329CS..THydrogen-bonded Turntrans-126.44.1-174.5-61.50000112.9F92 F97 S886 L887F92-V889 HydrophobicContact CB-CG1 4.07Å; F92-V889 HydrophobicContact CD1-CG1 3.78Å; F92-V889 HydrophobicContact CD1-CG2 4.32Å; F92-V889 HydrophobicContact CE1-CG2 4.29Å; F92-V889 HydrophobicContact CG-CG1 4.13Å; F97-V889 HydrophobicContact CD1-CB 4.35Å; F97-V889 HydrophobicContact CD1-CG1 3.71Å; F97-V889 HydrophobicContact CE1-CB 3.73Å; F97-V889 HydrophobicContact CE1-CG1 3.47Å; F97-V889 VanDerWaalsContact CE1-CG1 3.47Å; F97-V889 HydrophobicContact CE1-CG2 3.91Å; F97-V889 HydrophobicContact CZ-CB 4.43Å; F97-V889 HydrophobicContact CZ-CG1 4.13Å; F97-V889 HydrophobicContact CZ-CG2 4.14Å; S886-V889 PolarHBondContact O-N 2.98Å; S886-V889 VanDerWaalsContact O-N 3.14Å; L887-V889 PolarHBondContact O-N 2.97Å; L887-V889 VanDerWaalsContact O-N 3.13Å
890K92.1Very high83Confident55 Ų5555 Ų5524%0.23931%0.306CS..SBendtrans-77.2139.7178.1-161.866.5167.7-160.50111M138 Y868 D885 S886 L887 Y892M138-K890 WeakPolarHBondContact CB-O 3.28Å; M138-K890 WeakPolarHBondContact CE-O 3.4Å; M138-K890 WeakPolarHBondContact CG-O 3.46Å; Y868-K890 WeakPolarHBondContact OH-CD 3.4Å; Y868-K890 WeakPolarHBondContact OH-CE 3.24Å; Y868-K890 PolarHBondContact OH-NZ 3.36Å; D885-K890 IonicContact OD1-NZ 2.78Å; D885-K890 PolarHBondContact OD1-NZ 3.14Å; D885-K890 IonicContact OD2-NZ 3.65Å; D885-K890 PolarHBondContact OD2-NZ 3.44Å; S886-K890 PolarHBondContact O-N 2.98Å; S886-K890 VanDerWaalsContact O-N 3.09Å; L887-K890 HydrophobicContact CD2-CB 4.14Å; L887-K890 PolarHBondContact O-N 3.36Å; K890-Y892 PolarHBondContact O-N 3.49Å
891S92.8Very high85Confident72 Ų7250.1 Ų50.150%0.50328%0.276SS..PPolyproline II helixtrans-56.4127.5178.9-56.60000112.7M138 R854M138-S891 CarbonylContact O-C 3.51Å; M138-S891 VanDerWaalsContact O-CA 3.26Å; M138-S891 WeakPolarHBondContact O-CA 3.39Å; R854-S891 WeakPolarHBondContact CD-O 3.36Å; R854-S891 PolarHBondContact NH1-O 2.89Å
892Y95.8Very high87Confident2 Ų248.8 Ų48.81%0.00826%0.262CS..PPolyproline II helixtrans-67.6140.7172.7-155.6-104.1000110.2W135 M138 R854 L855 P858 K890 K894W135-Y892 AromaticContact CD1-CD1 3.73Å; W135-Y892 AromaticContact CD1-CE1 3.65Å; W135-Y892 AromaticContact CD1-CG 3.99Å; W135-Y892 AromaticContact CD1-CZ 3.83Å; W135-Y892 AromaticContact NE1-CD1 3.65Å; W135-Y892 AromaticContact NE1-CE1 3.64Å; M138-Y892 HydrophobicContact CB-CD2 4.29Å; M138-Y892 HydrophobicContact CB-CG 4.5Å; M138-Y892 HydrophobicContact CE-CD2 3.76Å; M138-Y892 PolarHBondContact O-N 3.17Å; M138-Y892 HydrophobicContact SD-CD2 3.87Å; R854-Y892 WeakPolarHBondContact O-CE2 3.47Å; L855-Y892 WeakPolarHBondContact CA-OH 3.36Å; L855-Y892 HydrophobicContact CD2-CD1 4.44Å; L855-Y892 HydrophobicContact CD2-CE1 3.6Å; L855-Y892 HydrophobicContact CD2-CE2 4.26Å; L855-Y892 VanDerWaalsContact CD2-CZ 3.49Å; L855-Y892 WeakPolarHBondContact CD2-OH 3.48Å; L855-Y892 PolarHBondContact O-OH 3.45Å; L855-Y892 VanDerWaalsContact O-OH 3.14Å; P858-Y892 HydrophobicContact CG-CD2 4.41Å; P858-Y892 HydrophobicContact CG-CE2 3.76Å; K890-Y892 PolarHBondContact O-N 3.49Å; Y892-K894 PolarHBondContact O-N 3.21Å
893P95.5Very high88.4Confident0 Ų045.4 Ų45.40%024%0.244CC..PPolyproline II helixtrans-57.6124.2174-25.935.3000111.5V782 N786 C851 R854 L855V782-P893 HydrophobicContact CB-CB 4.49Å; V782-P893 HydrophobicContact CG1-CB 3.89Å; V782-P893 HydrophobicContact CG2-CB 3.72Å; N786-P893 PolarHBondContact ND2-O 3.49Å; C851-P893 HydrophobicContact CB-CG 4.23Å; R854-P893 HydrophobicContact CB-CG 4.09Å; L855-P893 HydrophobicContact CD2-CB 4.3Å; L855-P893 HydrophobicContact CD2-CG 4.09Å; L855-P893 HydrophobicContact CG-CG 4.32Å
894K92.8Very high89.6Confident102 Ų10247.3 Ų47.344%0.44325%0.247SC..PPolyproline II helixtrans-96.1154.8-175.9-54.4-179.6-179.1178.40111.4Y892 N896 D897Y892-K894 PolarHBondContact O-N 3.21Å; K894-N896 VanDerWaalsContact C-N 3.33Å; K894-N896 PolarHBondContact O-N 3.24Å; K894-D897 WeakPolarHBondContact CB-OD2 3.4Å; K894-D897 PolarHBondContact N-OD2 3.16Å; K894-D897 WeakPolarHBondContact O-CB 3.16Å; K894-D897 PolarHBondContact O-N 3.22Å
895L91.3Very high90.1Very high61 Ų6150.1 Ų50.132%0.31926%0.264SS..Hα-helixtrans-54.7-47.5176.3-97.561.7000112.4I783 N786 D897 V898 T899I783-L895 HydrophobicContact CG1-CG 4.45Å; N786-L895 HydrophobicContact CB-CD1 3.2Å; L895-D897 PolarHBondContact O-N 2.85Å; L895-V898 WeakPolarHBondContact O-CG2 3.36Å; L895-V898 PolarHBondContact O-N 2.88Å; L895-T899 PolarHBondContact O-N 3.3Å; L895-T899 VanDerWaalsContact O-N 3.07Å; L895-T899 PolarHBondContact O-OG1 3.2Å
896N89.4Confident90.2Very high134 Ų13449.3 Ų49.372%0.71727%0.265SS*.Hα-helixtrans-63.6-26.2-176.2-65.2-6.6000112.6N755 K894N755-N896 PolarHBondContact ND2-O 3.45Å; K894-N896 VanDerWaalsContact C-N 3.33Å; K894-N896 PolarHBondContact O-N 3.24Å
897D87.9Confident90Very high36 Ų3649.5 Ų49.519%0.19327%0.266CS..Hα-helixtrans-72.2-36.3-179.4-56.5-25.3000110.9L754 F758 K894 L895L754-D897 HydrophobicContact CB-CB 3.91Å; L754-D897 HydrophobicContact CD1-CB 4.46Å; F758-D897 WeakPolarHBondContact CD2-O 3.33Å; K894-D897 WeakPolarHBondContact CB-OD2 3.4Å; K894-D897 PolarHBondContact N-OD2 3.16Å; K894-D897 WeakPolarHBondContact O-CB 3.16Å; K894-D897 PolarHBondContact O-N 3.22Å; L895-D897 PolarHBondContact O-N 2.85Å
898V89.6Confident89.7Confident1 Ų150.3 Ų50.31%0.00627%0.27CS..Hα-helixtrans-105.5-12.1-169.3-62.10000115F758 A779 V782 I783 L895 V900 L901F758-V898 HydrophobicContact CE2-CG1 3.76Å; F758-V898 HydrophobicContact CZ-CG1 4.4Å; A779-V898 HydrophobicContact CB-CB 3.8Å; A779-V898 HydrophobicContact CB-CG2 4.19Å; A779-V898 WeakPolarHBondContact CB-O 3.36Å; V782-V898 HydrophobicContact CB-CG1 4.2Å; V782-V898 HydrophobicContact CB-CG2 3.87Å; V782-V898 HydrophobicContact CG1-CB 4.49Å; V782-V898 HydrophobicContact CG1-CG1 4.1Å; V782-V898 HydrophobicContact CG1-CG2 3.61Å; V782-V898 HydrophobicContact CG2-CG1 4.06Å; I783-V898 HydrophobicContact CG1-CG2 4.39Å; L895-V898 WeakPolarHBondContact O-CG2 3.36Å; L895-V898 PolarHBondContact O-N 2.88Å; V898-V900 PolarHBondContact O-N 2.74Å; V898-V900 VanDerWaalsContact O-N 3.1Å; V898-L901 HydrophobicContact CB-CD1 4.49Å; V898-L901 WeakPolarHBondContact O-CB 3.33Å; V898-L901 PolarHBondContact O-N 2.79Å
899T85.9Confident89.4Confident82 Ų8251 Ų5150%0.50328%0.275SS..G310 helixtrans-57.1-33.4-172.9-610000112.1L895 L901 R902L895-T899 PolarHBondContact O-N 3.3Å; L895-T899 VanDerWaalsContact O-N 3.07Å; L895-T899 PolarHBondContact O-OG1 3.2Å; T899-L901 PolarHBondContact O-N 2.74Å; T899-R902 PolarHBondContact O-N 2.91Å
900V86.3Confident89.2Confident69 Ų6951 Ų5142%0.41827%0.274SS..G310 helixtrans-64.4-22.2177.870.90000114.1F758 I762 V898F758-V900 HydrophobicContact CB-CG1 4.4Å; I762-V900 HydrophobicContact CD1-CG1 4.16Å; I762-V900 HydrophobicContact CD1-CG2 3.94Å; V898-V900 PolarHBondContact O-N 2.74Å; V898-V900 VanDerWaalsContact O-N 3.1Å
901L89.3Confident89.1Confident10 Ų1048.4 Ų48.45%0.05226%0.263CS..G310 helixtrans-84.8-18.4-179.5-63.7174.5000112.9F758 I762 L775 S776 A779 V898 T899 D903F758-L901 HydrophobicContact CB-CD1 4.28Å; F758-L901 HydrophobicContact CB-CD2 3.76Å; F758-L901 HydrophobicContact CB-CG 4.06Å; F758-L901 HydrophobicContact CD1-CD1 3.6Å; F758-L901 HydrophobicContact CD1-CD2 4.05Å; F758-L901 HydrophobicContact CD1-CG 4.25Å; F758-L901 HydrophobicContact CD2-CD1 3.76Å; F758-L901 HydrophobicContact CD2-CG 4.28Å; F758-L901 HydrophobicContact CE1-CD1 3.72Å; F758-L901 HydrophobicContact CE2-CD1 3.9Å; F758-L901 HydrophobicContact CG-CD1 3.62Å; F758-L901 HydrophobicContact CG-CD2 3.98Å; F758-L901 HydrophobicContact CG-CG 3.97Å; F758-L901 HydrophobicContact CZ-CD1 3.88Å; I762-L901 HydrophobicContact CD1-CD2 3.87Å; I762-L901 HydrophobicContact CG1-CD2 4.12Å; L775-L901 HydrophobicContact CB-CD1 4.25Å; L775-L901 HydrophobicContact CB-CD2 4.02Å; L775-L901 HydrophobicContact CD1-CD2 4.36Å; S776-L901 VanDerWaalsContact CA-O 3.3Å; S776-L901 WeakPolarHBondContact CA-O 3.38Å; S776-L901 VanDerWaalsContact CB-O 3.22Å; S776-L901 WeakPolarHBondContact CB-O 3.48Å; S776-L901 PolarHBondContact OG-O 3.36Å; A779-L901 HydrophobicContact CB-CB 3.82Å; A779-L901 HydrophobicContact CB-CD1 4.34Å; V898-L901 HydrophobicContact CB-CD1 4.49Å; V898-L901 WeakPolarHBondContact O-CB 3.33Å; V898-L901 PolarHBondContact O-N 2.79Å; T899-L901 PolarHBondContact O-N 2.74Å; L901-D903 PolarHBondContact O-N 2.73Å
902R91.4Very high88.9Confident56 Ų5649 Ų4921%0.21126%0.258CS..  trans-75115.3-170.6-17865.5-178.2155.110.5110.1A779 I783 T899 E904 E908A779-R902 HydrophobicContact CB-CB 4.47Å; I783-R902 HydrophobicContact CD1-CG 4.45Å; T899-R902 PolarHBondContact O-N 2.91Å; R902-E904 IonicContact CZ-OE2 3.11Å; R902-E904 IonicContact NE-OE2 3.64Å; R902-E904 IonicContact NH2-OE1 2.67Å; R902-E904 IonicContact NH2-OE2 3.77Å; R902-E904 PolarHBondContact NH2-OE2 2.95Å; R902-E908 IonicContact CZ-OE1 3.47Å; R902-E908 IonicContact CZ-OE2 2.96Å; R902-E908 IonicContact NH1-OE1 3.07Å; R902-E908 PolarHBondContact NH1-OE1 3.11Å; R902-E908 IonicContact NH1-OE2 3.75Å; R902-E908 PolarHBondContact NH1-OE2 3.08Å; R902-E908 IonicContact NH2-OE2 2.88Å; R902-E908 PolarHBondContact NH2-OE2 3.33Å
903D89.8Confident88.4Confident33 Ų3349.1 Ų49.118%0.17626%0.258CS..  trans-135.975.3-178.2-177.512.8000110.6R772 S776 L901 G906 V907 E908R772-D903 IonicContact CZ-OD2 2.84Å; R772-D903 VanDerWaalsContact CZ-OD2 3.28Å; R772-D903 IonicContact NE-OD2 3.62Å; R772-D903 PolarHBondContact NE-OD2 2.89Å; R772-D903 IonicContact NH2-OD2 3.68Å; R772-D903 PolarHBondContact NH2-OD2 2.92Å; S776-D903 PolarHBondContact OG-N 2.89Å; L901-D903 PolarHBondContact O-N 2.73Å; D903-G906 WeakPolarHBondContact OD1-CA 3.43Å; D903-G906 PolarHBondContact OD1-N 3.45Å; D903-V907 HydrophobicContact CB-CG1 3.83Å; D903-V907 PolarHBondContact OD2-N 2.96Å; D903-V907 VanDerWaalsContact OD2-N 3.11Å; D903-E908 WeakPolarHBondContact O-CG 3.25Å; D903-E908 PolarHBondContact O-N 3.39Å
904E85.3Confident88.1Confident117 Ų11749.1 Ų49.155%0.54726%0.258SS..THydrogen-bonded Turntrans-71.2-40.8-175.9-175.3166172.200113.1R902 A909R902-E904 IonicContact CZ-OE2 3.11Å; R902-E904 IonicContact NE-OE2 3.64Å; R902-E904 IonicContact NH2-OE1 2.67Å; R902-E904 IonicContact NH2-OE2 3.77Å; R902-E904 PolarHBondContact NH2-OE2 2.95Å; E904-A909 PolarHBondContact O-N 2.87Å
905N81.4Confident87.9Confident152 Ų15245.9 Ų45.981%0.81325%0.246SC*.THydrogen-bonded Turntrans-91-8-175-63.1-31.3000113.4
906G85.6Confident87.8Confident20 Ų2045.3 Ų45.321%0.20624%0.243CC..THydrogen-bonded Turntrans-107.8-101.6173.100000110.9D903 E908 A909 D910D903-G906 WeakPolarHBondContact OD1-CA 3.43Å; D903-G906 PolarHBondContact OD1-N 3.45Å; G906-E908 PolarHBondContact O-N 3.28Å; G906-A909 PolarHBondContact O-N 2.84Å; G906-D910 VanDerWaalsContact O-CG 3.31Å; G906-D910 PolarHBondContact O-N 3.25Å
907V88.2Confident87.8Confident4 Ų438.9 Ų38.92%0.02421%0.209CC..Hα-helixtrans-56.1-32-168.782.30000114.2G769 R772 W773 D903 F911 Y959G769-V907 WeakPolarHBondContact O-CG2 3.45Å; R772-V907 HydrophobicContact CB-CG2 3.96Å; R772-V907 HydrophobicContact CG-CB 4.17Å; R772-V907 HydrophobicContact CG-CG1 4.17Å; R772-V907 HydrophobicContact CG-CG2 3.92Å; W773-V907 HydrophobicContact CB-CG2 4.06Å; D903-V907 HydrophobicContact CB-CG1 3.83Å; D903-V907 PolarHBondContact OD2-N 2.96Å; D903-V907 VanDerWaalsContact OD2-N 3.11Å; V907-F911 VanDerWaalsContact O-CB 3.24Å; V907-F911 WeakPolarHBondContact O-CB 3.18Å; V907-F911 PolarHBondContact O-N 2.84Å; V907-Y959 WeakPolarHBondContact CG2-OH 3.39Å
908E90Very high87.8Confident17 Ų1737.2 Ų37.28%0.07920%0.2CC..Hα-helixtrans-76.9-37.9179.6-70.9-174.8-164.800113.5S776 R777 R902 D903 G906 D910 F911 H912S776-E908 VanDerWaalsContact CB-OE1 3.27Å; S776-E908 WeakPolarHBondContact CB-OE1 3.49Å; S776-E908 PolarHBondContact OG-OE1 2.67Å; R777-E908 WeakPolarHBondContact CD-OE1 3.32Å; R777-E908 IonicContact CZ-OE2 3.77Å; R777-E908 IonicContact NH1-OE1 2.87Å; R777-E908 IonicContact NH1-OE2 3.77Å; R777-E908 PolarHBondContact NH1-OE2 2.78Å; R902-E908 IonicContact CZ-OE1 3.47Å; R902-E908 IonicContact CZ-OE2 2.96Å; R902-E908 IonicContact NH1-OE1 3.07Å; R902-E908 PolarHBondContact NH1-OE1 3.11Å; R902-E908 IonicContact NH1-OE2 3.75Å; R902-E908 PolarHBondContact NH1-OE2 3.08Å; R902-E908 IonicContact NH2-OE2 2.88Å; R902-E908 PolarHBondContact NH2-OE2 3.33Å; D903-E908 WeakPolarHBondContact O-CG 3.25Å; D903-E908 PolarHBondContact O-N 3.39Å; G906-E908 PolarHBondContact O-N 3.28Å; E908-D910 VanDerWaalsContact C-N 3.33Å; E908-F911 PolarHBondContact O-N 3.16Å; E908-H912 WeakPolarHBondContact O-CB 3Å; E908-H912 PolarHBondContact O-N 2.85Å
909A85.3Confident87.7Confident14 Ų1442.3 Ų42.312%0.11622%0.223CC..Hα-helixtrans-63.5-44.1172.300000110.1E904 G906 F911 H912 L913E904-A909 PolarHBondContact O-N 2.87Å; G906-A909 PolarHBondContact O-N 2.84Å; A909-F911 PolarHBondContact O-N 3.24Å; A909-H912 PolarHBondContact O-N 2.77Å; A909-L913 PolarHBondContact O-N 2.71Å; A909-L913 VanDerWaalsContact O-N 3.16Å
910D88.2Confident87.8Confident35 Ų3542.4 Ų42.419%0.18721%0.214CC..Hα-helixtrans-59.1-48.1175.4-63.3-18.9000111G906 E908 H912 L913 V914 T953 Y959G906-D910 VanDerWaalsContact O-CG 3.31Å; G906-D910 PolarHBondContact O-N 3.25Å; E908-D910 VanDerWaalsContact C-N 3.33Å; D910-H912 VanDerWaalsContact C-N 3.34Å; D910-H912 PolarHBondContact O-N 3.17Å; D910-L913 WeakPolarHBondContact O-CB 3.11Å; D910-L913 PolarHBondContact O-N 3.22Å; D910-V914 WeakPolarHBondContact O-CG2 3.1Å; D910-V914 PolarHBondContact O-N 2.71Å; D910-V914 VanDerWaalsContact O-N 3.07Å; D910-T953 HydrophobicContact CB-CG2 3.64Å; D910-T953 WeakPolarHBondContact OD1-CG2 3.43Å; D910-Y959 HydrophobicContact CB-CE2 3.88Å
911F90Very high87.9Confident0 Ų039.1 Ų39.10%019%0.194CC..Hα-helixtrans-70.3-30-179.4-155.6-90.5000113.1T770 W773 V812 V907 E908 A909 L913 V914 L915 Y959 V963T770-F911 HydrophobicContact CG2-CE2 3.83Å; T770-F911 HydrophobicContact CG2-CZ 4.23Å; W773-F911 HydrophobicContact CB-CB 4.2Å; W773-F911 HydrophobicContact CB-CD2 3.77Å; W773-F911 HydrophobicContact CB-CE2 4.32Å; W773-F911 HydrophobicContact CB-CG 3.99Å; W773-F911 AromaticContact CD1-CD1 3.64Å; W773-F911 AromaticContact CD1-CG 3.38Å; W773-F911 HydrophobicContact CD2-CB 4.36Å; W773-F911 AromaticContact CD2-CD1 3.44Å; W773-F911 HydrophobicContact CD2-CD1 3.44Å; W773-F911 VanDerWaalsContact CD2-CD1 3.44Å; W773-F911 AromaticContact CD2-CD2 3.86Å; W773-F911 HydrophobicContact CD2-CD2 3.86Å; W773-F911 AromaticContact CD2-CE1 3.51Å; W773-F911 HydrophobicContact CD2-CE1 3.51Å; W773-F911 AromaticContact CD2-CE2 3.95Å; W773-F911 HydrophobicContact CD2-CE2 3.95Å; W773-F911 AromaticContact CD2-CG 3.61Å; W773-F911 HydrophobicContact CD2-CG 3.61Å; W773-F911 AromaticContact CD2-CZ 3.77Å; W773-F911 HydrophobicContact CD2-CZ 3.77Å; W773-F911 AromaticContact CE2-CD1 3.18Å; W773-F911 AromaticContact CE2-CE1 3.41Å; W773-F911 VanDerWaalsContact CE2-CE1 3.41Å; W773-F911 AromaticContact CE2-CG 3.76Å; W773-F911 HydrophobicContact CE3-CD1 4.09Å; W773-F911 HydrophobicContact CE3-CD2 4.3Å; W773-F911 AromaticContact CE3-CE1 3.66Å; W773-F911 HydrophobicContact CE3-CE1 3.66Å; W773-F911 AromaticContact CE3-CE2 3.91Å; W773-F911 HydrophobicContact CE3-CE2 3.91Å; W773-F911 HydrophobicContact CE3-CG 4.38Å; W773-F911 AromaticContact CE3-CZ 3.56Å; W773-F911 HydrophobicContact CE3-CZ 3.56Å; W773-F911 HydrophobicContact CG-CB 3.7Å; W773-F911 AromaticContact CG-CD1 3.72Å; W773-F911 HydrophobicContact CG-CD1 3.72Å; W773-F911 AromaticContact CG-CD2 3.61Å; W773-F911 HydrophobicContact CG-CD2 3.61Å; W773-F911 HydrophobicContact CG-CE1 4.21Å; W773-F911 HydrophobicContact CG-CE2 4.14Å; W773-F911 AromaticContact CG-CG 3.37Å; W773-F911 HydrophobicContact CG-CG 3.37Å; W773-F911 HydrophobicContact CG-CZ 4.4Å; W773-F911 HydrophobicContact CH2-CD1 4.26Å; W773-F911 AromaticContact CH2-CE1 3.64Å; W773-F911 HydrophobicContact CH2-CE1 3.64Å; W773-F911 HydrophobicContact CH2-CZ 4.17Å; W773-F911 AromaticContact CZ2-CD1 3.65Å; W773-F911 HydrophobicContact CZ2-CD1 3.65Å; W773-F911 AromaticContact CZ2-CE1 3.49Å; W773-F911 HydrophobicContact CZ2-CE1 3.49Å; W773-F911 VanDerWaalsContact CZ2-CE1 3.49Å; W773-F911 HydrophobicContact CZ2-CZ 4.36Å; W773-F911 HydrophobicContact CZ3-CD1 4.46Å; W773-F911 AromaticContact CZ3-CE1 3.72Å; W773-F911 HydrophobicContact CZ3-CE1 3.72Å; W773-F911 AromaticContact CZ3-CZ 3.78Å; W773-F911 HydrophobicContact CZ3-CZ 3.78Å; W773-F911 AromaticContact NE1-CD1 3.29Å; W773-F911 VanDerWaalsContact NE1-CD1 3.29Å; W773-F911 AromaticContact NE1-CG 3.58Å; V812-F911 HydrophobicContact CG1-CE1 3.77Å; V812-F911 HydrophobicContact CG1-CZ 3.59Å; V907-F911 VanDerWaalsContact O-CB 3.24Å; V907-F911 WeakPolarHBondContact O-CB 3.18Å; V907-F911 PolarHBondContact O-N 2.84Å; E908-F911 PolarHBondContact O-N 3.16Å; A909-F911 PolarHBondContact O-N 3.24Å; F911-L913 VanDerWaalsContact C-N 3.33Å; F911-V914 WeakPolarHBondContact O-CB 3.4Å; F911-V914 PolarHBondContact O-N 2.71Å; F911-L915 HydrophobicContact CD1-CD1 3.8Å; F911-L915 HydrophobicContact CD1-CD2 4.46Å; F911-L915 HydrophobicContact CD1-CG 3.76Å; F911-L915 HydrophobicContact CE1-CD1 3.89Å; F911-L915 HydrophobicContact CE1-CD2 3.87Å; F911-L915 HydrophobicContact CE1-CG 3.68Å; F911-L915 WeakPolarHBondContact O-CG 3.39Å; F911-L915 PolarHBondContact O-N 3.45Å; F911-Y959 HydrophobicContact CD2-CD1 4.06Å; F911-Y959 AromaticContact CD2-CE1 3.64Å; F911-Y959 HydrophobicContact CD2-CE1 3.64Å; F911-Y959 HydrophobicContact CE2-CD1 4.31Å; F911-Y959 HydrophobicContact CE2-CE1 4.2Å; F911-V963 HydrophobicContact CE2-CG1 4.39Å; F911-V963 HydrophobicContact CE2-CG2 4.16Å; F911-V963 HydrophobicContact CZ-CG1 4.07Å
912H87.2Confident87.7Confident85 Ų8542.8 Ų42.839%0.39421%0.207SC..Hα-helixtrans-63-41.4172.8-175.4-113.2000111.1E908 A909 D910 L915 N916 D996E908-H912 WeakPolarHBondContact O-CB 3Å; E908-H912 PolarHBondContact O-N 2.85Å; A909-H912 PolarHBondContact O-N 2.77Å; D910-H912 VanDerWaalsContact C-N 3.34Å; D910-H912 PolarHBondContact O-N 3.17Å; H912-L915 PolarHBondContact O-N 3.38Å; H912-N916 PolarHBondContact CE1-ND2 3.3Å; H912-N916 PolarHBondContact ND1-ND2 2.74Å; H912-N916 WeakPolarHBondContact O-CB 3.48Å; H912-N916 VanDerWaalsContact O-CG 3.26Å; H912-N916 PolarHBondContact O-N 3.31Å; H912-N916 PolarHBondContact O-ND2 3.04Å; H912-N916 VanDerWaalsContact O-ND2 3.17Å; H912-D996 IonicContact CE1-OD2 3.44Å; H912-D996 PolarHBondContact CE1-OD2 3.23Å; H912-D996 VanDerWaalsContact CE1-OD2 3.25Å; H912-D996 IonicContact CG-OD2 3.73Å; H912-D996 IonicContact ND1-OD2 3.8Å; H912-D996 PolarHBondContact ND1-OD2 3.09Å
913L86.4Confident87.2Confident4 Ų441.9 Ų41.92%0.02122%0.216CC..Hα-helixtrans-59.7-46.217117560.4000111.4A909 D910 F911 L915 N916 I917 I950 V992 A994 I997A909-L913 PolarHBondContact O-N 2.71Å; A909-L913 VanDerWaalsContact O-N 3.16Å; D910-L913 WeakPolarHBondContact O-CB 3.11Å; D910-L913 PolarHBondContact O-N 3.22Å; F911-L913 VanDerWaalsContact C-N 3.33Å; L913-L915 PolarHBondContact O-N 3.26Å; L913-N916 PolarHBondContact O-N 3.47Å; L913-N916 VanDerWaalsContact O-N 3.15Å; L913-I917 HydrophobicContact CD1-CD1 4.17Å; L913-I917 HydrophobicContact CD1-CG1 4.3Å; L913-I917 HydrophobicContact CG-CD1 4.05Å; L913-I917 WeakPolarHBondContact O-CG1 3.39Å; L913-I917 PolarHBondContact O-N 3.33Å; L913-I950 HydrophobicContact CD2-CG1 4.2Å; L913-I950 HydrophobicContact CD2-CG2 3.78Å; L913-V992 HydrophobicContact CD1-CG1 3.9Å; L913-A994 HydrophobicContact CD1-CB 3.74Å; L913-A994 HydrophobicContact CD2-CB 4.07Å; L913-A994 HydrophobicContact CG-CB 4.47Å; L913-I997 HydrophobicContact CD2-CD1 3.87Å
914V89.8Confident87Confident0 Ų041 Ų410%021%0.211CC..Hα-helixtrans-57.2-47.7177.1171.10000111.6D910 F911 N916 I917 I918 L954 Y959 V963 I964D910-V914 WeakPolarHBondContact O-CG2 3.1Å; D910-V914 PolarHBondContact O-N 2.71Å; D910-V914 VanDerWaalsContact O-N 3.07Å; F911-V914 WeakPolarHBondContact O-CB 3.4Å; F911-V914 PolarHBondContact O-N 2.71Å; V914-N916 VanDerWaalsContact C-N 3.33Å; V914-N916 PolarHBondContact O-N 3.36Å; V914-I917 WeakPolarHBondContact O-CB 3.15Å; V914-I917 PolarHBondContact O-N 3.43Å; V914-I918 HydrophobicContact CG1-CD1 3.79Å; V914-I918 WeakPolarHBondContact O-CD1 3.25Å; V914-I918 WeakPolarHBondContact O-CG1 3.39Å; V914-I918 PolarHBondContact O-N 3.02Å; V914-L954 HydrophobicContact CG2-CD2 3.71Å; V914-Y959 HydrophobicContact CG2-CD1 4.03Å; V914-Y959 HydrophobicContact CG2-CD2 3.77Å; V914-Y959 HydrophobicContact CG2-CE2 4.45Å; V914-Y959 HydrophobicContact CG2-CG 3.53Å; V914-V963 HydrophobicContact CG1-CB 4.15Å; V914-V963 HydrophobicContact CG1-CG1 4.08Å; V914-I964 HydrophobicContact CG1-CD1 4.42Å; V914-I964 HydrophobicContact CG1-CG1 3.85Å
915L88.5Confident86.8Confident34 Ų3436.1 Ų36.118%0.17819%0.189CC..Hα-helixtrans-62.4-39.2176.3-73.4175.9000112.1V812 F911 H912 L913 I918 H919V812-L915 HydrophobicContact CG2-CD2 4.04Å; F911-L915 HydrophobicContact CD1-CD1 3.8Å; F911-L915 HydrophobicContact CD1-CD2 4.46Å; F911-L915 HydrophobicContact CD1-CG 3.76Å; F911-L915 HydrophobicContact CE1-CD1 3.89Å; F911-L915 HydrophobicContact CE1-CD2 3.87Å; F911-L915 HydrophobicContact CE1-CG 3.68Å; F911-L915 WeakPolarHBondContact O-CG 3.39Å; F911-L915 PolarHBondContact O-N 3.45Å; H912-L915 PolarHBondContact O-N 3.38Å; L913-L915 PolarHBondContact O-N 3.26Å; L915-I918 PolarHBondContact O-N 2.9Å; L915-H919 WeakPolarHBondContact O-CB 3.12Å; L915-H919 PolarHBondContact O-N 2.9Å; L915-H919 PolarHBondContact O-ND1 3.27Å
916N88.3Confident86.7Confident48 Ų4833.2 Ų33.226%0.25718%0.18SC..Hα-helixtrans-65.8-38.5176.4-71.9-31.6000112.2H912 L913 V914 R920 V992H912-N916 PolarHBondContact CE1-ND2 3.3Å; H912-N916 PolarHBondContact ND1-ND2 2.74Å; H912-N916 WeakPolarHBondContact O-CB 3.48Å; H912-N916 VanDerWaalsContact O-CG 3.26Å; H912-N916 PolarHBondContact O-N 3.31Å; H912-N916 PolarHBondContact O-ND2 3.04Å; H912-N916 VanDerWaalsContact O-ND2 3.17Å; L913-N916 PolarHBondContact O-N 3.47Å; L913-N916 VanDerWaalsContact O-N 3.15Å; V914-N916 VanDerWaalsContact C-N 3.33Å; V914-N916 PolarHBondContact O-N 3.36Å; N916-R920 VanDerWaalsContact O-CB 3.29Å; N916-R920 WeakPolarHBondContact O-CB 3.5Å; N916-R920 PolarHBondContact O-N 2.89Å; N916-V992 HydrophobicContact CB-CG1 3.51Å
917I89.4Confident86.2Confident0 Ų033.1 Ų33.10%018%0.178CC..Hα-helixtrans-60.1-49.3171.9-68.1166.9000110L913 V914 H919 R920 I921 L944 L954 I964 V992 I1051L913-I917 HydrophobicContact CD1-CD1 4.17Å; L913-I917 HydrophobicContact CD1-CG1 4.3Å; L913-I917 HydrophobicContact CG-CD1 4.05Å; L913-I917 WeakPolarHBondContact O-CG1 3.39Å; L913-I917 PolarHBondContact O-N 3.33Å; V914-I917 WeakPolarHBondContact O-CB 3.15Å; V914-I917 PolarHBondContact O-N 3.43Å; I917-H919 PolarHBondContact O-N 2.8Å; I917-R920 PolarHBondContact O-N 3.04Å; I917-I921 HydrophobicContact CG2-CD1 3.74Å; I917-I921 HydrophobicContact CG2-CG1 4.46Å; I917-I921 WeakPolarHBondContact O-CG1 3.25Å; I917-I921 PolarHBondContact O-N 3.09Å; I917-L944 HydrophobicContact CG2-CD2 4.34Å; I917-L954 HydrophobicContact CD1-CD1 4.1Å; I917-L954 HydrophobicContact CD1-CD2 4.24Å; I917-I964 HydrophobicContact CD1-CD1 4.28Å; I917-I964 HydrophobicContact CG2-CD1 4.14Å; I917-I964 HydrophobicContact CG2-CG1 4.47Å; I917-I964 HydrophobicContact CG2-CG2 4.05Å; I917-V992 HydrophobicContact CG1-CG2 4.47Å; I917-I1051 HydrophobicContact CB-CD1 4.28Å; I917-I1051 HydrophobicContact CG1-CD1 4.39Å; I917-I1051 HydrophobicContact CG2-CD1 3.88Å
918I88.3Confident85.7Confident1 Ų133.5 Ų33.51%0.00518%0.18CC..Hα-helixtrans-60.7-47.4178.8-68.4157.6000111.6V914 L915 R920 I921 R922 V963 I964 L967V914-I918 HydrophobicContact CG1-CD1 3.79Å; V914-I918 WeakPolarHBondContact O-CD1 3.25Å; V914-I918 WeakPolarHBondContact O-CG1 3.39Å; V914-I918 PolarHBondContact O-N 3.02Å; L915-I918 PolarHBondContact O-N 2.9Å; I918-R920 VanDerWaalsContact C-N 3.28Å; I918-R920 PolarHBondContact O-N 3.35Å; I918-I921 PolarHBondContact O-N 3Å; I918-R922 WeakPolarHBondContact O-CB 3.43Å; I918-R922 WeakPolarHBondContact O-CG 3.33Å; I918-R922 PolarHBondContact O-N 3.29Å; I918-V963 HydrophobicContact CD1-CB 4.46Å; I918-V963 HydrophobicContact CD1-CG1 3.61Å; I918-I964 HydrophobicContact CG1-CG1 4.36Å; I918-L967 HydrophobicContact CD1-CB 4.05Å; I918-L967 HydrophobicContact CD1-CD1 4.34Å; I918-L967 HydrophobicContact CG1-CB 4.4Å; I918-L967 HydrophobicContact CG2-CB 3.92Å
919H87.4Confident84.9Confident107 Ų10740.2 Ų40.250%0.49521%0.211SC..Hα-helixtrans-62.2-37.4177.4-69.9140.3000111.7L915 I917 G923L915-H919 WeakPolarHBondContact O-CB 3.12Å; L915-H919 PolarHBondContact O-N 2.9Å; L915-H919 PolarHBondContact O-ND1 3.27Å; I917-H919 PolarHBondContact O-N 2.8Å; H919-G923 PolarHBondContact O-N 2.84Å
920R87.9Confident84.3Confident84 Ų8440.2 Ų40.232%0.31721%0.209SC..Hα-helixtrans-69.4-43.7176.8-171.866.7-173.7-146.33.9111.8N916 I917 I918 G923 L924 V992 I1051N916-R920 VanDerWaalsContact O-CB 3.29Å; N916-R920 WeakPolarHBondContact O-CB 3.5Å; N916-R920 PolarHBondContact O-N 2.89Å; I917-R920 PolarHBondContact O-N 3.04Å; I918-R920 VanDerWaalsContact C-N 3.28Å; I918-R920 PolarHBondContact O-N 3.35Å; R920-G923 CarbonylContact O-C 3.59Å; R920-G923 WeakPolarHBondContact O-CA 3.37Å; R920-G923 PolarHBondContact O-N 2.86Å; R920-L924 WeakPolarHBondContact O-CG 3.36Å; R920-L924 PolarHBondContact O-N 3.44Å; R920-V992 HydrophobicContact CB-CG2 3.57Å; R920-V992 HydrophobicContact CG-CG2 3.87Å; R920-I1051 HydrophobicContact CB-CD1 3.8Å; R920-I1051 HydrophobicContact CG-CD1 3.86Å
921I87.8Confident83.4Confident0 Ų042 Ų420%022%0.222CC..Hα-helixtrans-58.6-49.9174.2-67.8165000110.1I917 I918 G923 L924 L925 V942 I964 G968 C970 I1051I917-I921 HydrophobicContact CG2-CD1 3.74Å; I917-I921 HydrophobicContact CG2-CG1 4.46Å; I917-I921 WeakPolarHBondContact O-CG1 3.25Å; I917-I921 PolarHBondContact O-N 3.09Å; I918-I921 PolarHBondContact O-N 3Å; I921-G923 VanDerWaalsContact C-N 3.28Å; I921-G923 PolarHBondContact O-N 3.44Å; I921-L924 WeakPolarHBondContact O-CB 3.49Å; I921-L924 PolarHBondContact O-N 2.86Å; I921-L924 VanDerWaalsContact O-N 3.1Å; I921-L925 HydrophobicContact CG2-CD1 4.23Å; I921-L925 WeakPolarHBondContact O-CG 3.4Å; I921-L925 PolarHBondContact O-N 3.41Å; I921-V942 HydrophobicContact CD1-CG1 4.37Å; I921-I964 HydrophobicContact CD1-CG2 3.91Å; I921-G968 WeakPolarHBondContact CG2-O 3.31Å; I921-C970 HydrophobicContact CG2-CB 4.23Å; I921-I1051 HydrophobicContact CD1-CG2 4.41Å; I921-I1051 HydrophobicContact CG1-CD1 4.19Å; I921-I1051 HydrophobicContact CG1-CG2 3.74Å
922R85.1Confident82.2Confident87 Ų8746.9 Ų46.933%0.32825%0.248SC..Hα-helixtrans-60.5-37.8176.2-72.1174.9174.7-179.7-2.3112.4I918 L925 S926 L967I918-R922 WeakPolarHBondContact O-CB 3.43Å; I918-R922 WeakPolarHBondContact O-CG 3.33Å; I918-R922 PolarHBondContact O-N 3.29Å; R922-L925 PolarHBondContact O-N 3.35Å; R922-S926 WeakPolarHBondContact O-CB 3.38Å; R922-S926 PolarHBondContact O-N 3.02Å; R922-L967 PolarHBondContact NE-O 2.88Å; R922-L967 PolarHBondContact NH2-O 3.28Å
923G82.2Confident81.1Confident38 Ų3846.5 Ų46.539%0.39226%0.255SS..Hα-helixtrans-62.2-43.1173.300000112.4H919 R920 I921 S926 A927H919-G923 PolarHBondContact O-N 2.84Å; R920-G923 CarbonylContact O-C 3.59Å; R920-G923 WeakPolarHBondContact O-CA 3.37Å; R920-G923 PolarHBondContact O-N 2.86Å; I921-G923 VanDerWaalsContact C-N 3.28Å; I921-G923 PolarHBondContact O-N 3.44Å; G923-S926 PolarHBondContact O-N 3.41Å; G923-A927 WeakPolarHBondContact O-CB 3.37Å; G923-A927 PolarHBondContact O-N 3.33Å
924L84Confident80.2Confident15 Ų1549.5 Ų49.58%0.07927%0.27CS..Hα-helixtrans-65.1-43.1175.1-70.1173.2000111.8R920 I921 S926 A927 C928 S989 I1051 L1053R920-L924 WeakPolarHBondContact O-CG 3.36Å; R920-L924 PolarHBondContact O-N 3.44Å; I921-L924 WeakPolarHBondContact O-CB 3.49Å; I921-L924 PolarHBondContact O-N 2.86Å; I921-L924 VanDerWaalsContact O-N 3.1Å; L924-S926 PolarHBondContact O-N 3.07Å; L924-A927 WeakPolarHBondContact O-CB 3.17Å; L924-A927 PolarHBondContact O-N 3.2Å; L924-C928 WeakPolarHBondContact O-CB 3.48Å; L924-C928 PolarHBondContact O-N 3.27Å; L924-C928 PolarHBondContact O-SG 3Å; L924-S989 WeakPolarHBondContact CD2-O 3.44Å; L924-I1051 HydrophobicContact CD1-CG2 4.3Å; L924-L1053 HydrophobicContact CB-CD2 4.03Å; L924-L1053 HydrophobicContact CD1-CB 4.44Å
925L82.9Confident78.8Confident14 Ų1449.7 Ų49.77%0.07327%0.272CS..Hα-helixtrans-59.5-48.1174.8-68.2171.3000111.8I921 R922 A927 C928 H929 I930 L940 L1053I921-L925 HydrophobicContact CG2-CD1 4.23Å; I921-L925 WeakPolarHBondContact O-CG 3.4Å; I921-L925 PolarHBondContact O-N 3.41Å; R922-L925 PolarHBondContact O-N 3.35Å; L925-A927 VanDerWaalsContact C-N 3.32Å; L925-A927 PolarHBondContact O-N 3.22Å; L925-C928 PolarHBondContact O-N 3.02Å; L925-H929 PolarHBondContact O-N 3.01Å; L925-I930 HydrophobicContact CD2-CB 4.4Å; L925-I930 HydrophobicContact CD2-CD1 4.26Å; L925-I930 HydrophobicContact CD2-CG2 4.31Å; L925-I930 PolarHBondContact O-N 3.37Å; L925-I930 VanDerWaalsContact O-N 3.08Å; L925-L940 HydrophobicContact CD2-CD1 3.57Å; L925-L1053 HydrophobicContact CD2-CD1 4.48Å; L925-L1053 HydrophobicContact CD2-CD2 3.84Å; L925-L1053 HydrophobicContact CG-CD2 4.28Å
926S78.8Confident77.5Confident91 Ų9152.8 Ų52.864%0.63629%0.289SS*.Hα-helixtrans-65-37.7177.4-176.20000111.9R922 G923 L924 H929R922-S926 WeakPolarHBondContact O-CB 3.38Å; R922-S926 PolarHBondContact O-N 3.02Å; G923-S926 PolarHBondContact O-N 3.41Å; L924-S926 PolarHBondContact O-N 3.07Å; S926-H929 PolarHBondContact O-N 3.44Å
927A75.6Confident76.6Confident18 Ų1861 Ų6115%0.14932%0.316CS..Hα-helixtrans-61.6-45.7175.900000110.9G923 L924 L925 H929 R1067G923-A927 WeakPolarHBondContact O-CB 3.37Å; G923-A927 PolarHBondContact O-N 3.33Å; L924-A927 WeakPolarHBondContact O-CB 3.17Å; L924-A927 PolarHBondContact O-N 3.2Å; L925-A927 VanDerWaalsContact C-N 3.32Å; L925-A927 PolarHBondContact O-N 3.22Å; A927-H929 PolarHBondContact O-N 3.3Å; A927-H929 VanDerWaalsContact O-N 3.16Å; A927-H929 PolarHBondContact O-ND1 2.83Å; A927-H929 VanDerWaalsContact O-ND1 3.14Å; A927-R1067 PolarHBondContact O-NH1 3.32Å
928C75.9Confident75.8Confident12 Ų1267.1 Ų67.18%0.08134%0.344CS..THydrogen-bonded Turntrans-76.46.3179.8-60.10000113.4L924 L925 I930 I1059L924-C928 WeakPolarHBondContact O-CB 3.48Å; L924-C928 PolarHBondContact O-N 3.27Å; L924-C928 PolarHBondContact O-SG 3Å; L925-C928 PolarHBondContact O-N 3.02Å; C928-I930 HydrophobicContact CB-CD1 3.68Å; C928-I930 HydrophobicContact CB-CG1 3.77Å; C928-I930 PolarHBondContact O-N 2.96Å; C928-I930 VanDerWaalsContact O-N 3.1Å; C928-I1059 HydrophobicContact CB-CG2 3.97Å
929H73.3Confident75.1Confident158 Ų15870.1 Ų70.173%0.73136%0.364SS*.THydrogen-bonded Turntrans55.223.5-175.2-59.678.8000114.1L925 S926 A927 P931L925-H929 PolarHBondContact O-N 3.01Å; S926-H929 PolarHBondContact O-N 3.44Å; A927-H929 PolarHBondContact O-N 3.3Å; A927-H929 VanDerWaalsContact O-N 3.16Å; A927-H929 PolarHBondContact O-ND1 2.83Å; A927-H929 VanDerWaalsContact O-ND1 3.14Å; H929-P931 VanDerWaalsContact O-CD 3.26Å; H929-P931 WeakPolarHBondContact O-CD 3.34Å
930I73.3Confident74.9Confident13 Ų1365.7 Ų65.77%0.06734%0.344CS..  trans-73.8117.5-179.9-63.8170.8000107.8L925 C928 I932 L934 L940 V1055L925-I930 HydrophobicContact CD2-CB 4.4Å; L925-I930 HydrophobicContact CD2-CD1 4.26Å; L925-I930 HydrophobicContact CD2-CG2 4.31Å; L925-I930 PolarHBondContact O-N 3.37Å; L925-I930 VanDerWaalsContact O-N 3.08Å; C928-I930 HydrophobicContact CB-CD1 3.68Å; C928-I930 HydrophobicContact CB-CG1 3.77Å; C928-I930 PolarHBondContact O-N 2.96Å; C928-I930 VanDerWaalsContact O-N 3.1Å; I930-I932 PolarHBondContact O-N 3.11Å; I930-L934 HydrophobicContact CG2-CD2 4.1Å; I930-L940 HydrophobicContact CD1-CD1 3.71Å; I930-L940 HydrophobicContact CG2-CD1 4.24Å; I930-V1055 HydrophobicContact CD1-CG1 3.89Å
931P68.6Low75Confident72 Ų7264.6 Ų64.647%0.46835%0.345SS..  trans-62.7136.4-178.6-20.932.6000110.9H929 S933 L934 A935H929-P931 VanDerWaalsContact O-CD 3.26Å; H929-P931 WeakPolarHBondContact O-CD 3.34Å; P931-S933 PolarHBondContact O-N 3.47Å; P931-S933 VanDerWaalsContact O-N 3.11Å; P931-L934 WeakPolarHBondContact O-CB 3.22Å; P931-L934 PolarHBondContact O-N 2.88Å; P931-A935 PolarHBondContact O-N 2.95Å
932I65.4Low75Confident104 Ų10464.6 Ų64.653%0.53335%0.345SS..Hα-helixtrans-53.3-34.8175.4-74168.7000112.1I930 L934 A935 N936I930-I932 PolarHBondContact O-N 3.11Å; I932-L934 VanDerWaalsContact C-N 3.29Å; I932-L934 PolarHBondContact O-N 3.31Å; I932-A935 PolarHBondContact O-N 2.89Å; I932-N936 PolarHBondContact O-N 3.45Å; I932-N936 VanDerWaalsContact O-N 3.09Å
933S64.9Low75.2Confident77 Ų7760.7 Ų60.754%0.53833%0.33SS..Hα-helixtrans-63.5-33.8177.852.10000113P931 R937P931-S933 PolarHBondContact O-N 3.47Å; P931-S933 VanDerWaalsContact O-N 3.11Å; S933-R937 WeakPolarHBondContact O-CG 3.47Å
934L66.2Low75.5Confident67 Ų6758.9 Ų58.935%0.35131%0.312SS..Hα-helixtrans-71.6-49.3176.9-165.395.9000109.8I930 P931 I932 N936 R937 Q938 L1058I930-L934 HydrophobicContact CG2-CD2 4.1Å; P931-L934 WeakPolarHBondContact O-CB 3.22Å; P931-L934 PolarHBondContact O-N 2.88Å; I932-L934 VanDerWaalsContact C-N 3.29Å; I932-L934 PolarHBondContact O-N 3.31Å; L934-N936 PolarHBondContact O-N 3.26Å; L934-R937 PolarHBondContact O-N 3.22Å; L934-Q938 PolarHBondContact O-N 3.5Å; L934-L1058 HydrophobicContact CD2-CD2 4.24Å
935A60.4Low75.6Confident3 Ų358.7 Ų58.73%0.02531%0.311CS..Hα-helixtrans-59.3-29.6178.900000113.5P931 I932 Q938 R969P931-A935 PolarHBondContact O-N 2.95Å; I932-A935 PolarHBondContact O-N 2.89Å; A935-Q938 CarbonylContact O-C 3.57Å; A935-R969 HydrophobicContact CB-CB 4.24Å
936N62.9Low75.8Confident100 Ų10058.3 Ų58.354%0.53531%0.309SS..Hα-helixtrans-74.3-26.7173.8-76.5-14.5000113.7I932 L934 R969I932-N936 PolarHBondContact O-N 3.45Å; I932-N936 VanDerWaalsContact O-N 3.09Å; L934-N936 PolarHBondContact O-N 3.26Å; N936-R969 WeakPolarHBondContact OD1-CD 3.45Å; N936-R969 PolarHBondContact OD1-NE 3.18Å; N936-R969 VanDerWaalsContact OD1-NE 3.15Å
937R67.8Low76.1Confident219 Ų21955.4 Ų55.483%0.82629%0.289SS*.Hα-helixtrans-86.3-39.8179.6-71.9178.4-179.6-175.6-0.1111.4S933 L934S933-R937 WeakPolarHBondContact O-CG 3.47Å; L934-R937 PolarHBondContact O-N 3.22Å
938Q72.4Confident76.4Confident129 Ų12961.1 Ų61.160%0.60331%0.313SS*.SBendtrans-133.196179.7-166.7177.1400108.2L934 A935 L940L934-Q938 PolarHBondContact O-N 3.5Å; A935-Q938 CarbonylContact O-C 3.57Å; Q938-L940 PolarHBondContact O-N 2.98Å
939P75.1Confident76.6Confident65 Ų6564 Ų6442%0.42233%0.329SS..PPolyproline II helixtrans-62.2131.1177.424.8-31.9000109.5R971P939-R971 HydrophobicContact CB-CB 4.47Å
940L83.5Confident77.2Confident13 Ų1356.4 Ų56.47%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-78.1144.3-178.3-68.1174.9000111.5L925 I930 Q938 C970 R971 L1053 L1058L925-L940 HydrophobicContact CD2-CD1 3.57Å; I930-L940 HydrophobicContact CD1-CD1 3.71Å; I930-L940 HydrophobicContact CG2-CD1 4.24Å; Q938-L940 PolarHBondContact O-N 2.98Å; L940-C970 CarbonylContact O-C 3.54Å; L940-C970 VanDerWaalsContact O-CA 3.26Å; L940-C970 WeakPolarHBondContact O-CA 3.3Å; L940-C970 WeakPolarHBondContact O-CB 3.07Å; L940-R971 PolarHBondContact O-N 2.73Å; L940-L1053 HydrophobicContact CB-CD1 3.64Å; L940-L1053 HydrophobicContact CD1-CD1 4.18Å; L940-L1058 HydrophobicContact CD1-CD1 4.49Å; L940-L1058 HydrophobicContact CD2-CD1 3.36Å
941N88.3Confident77.8Confident62 Ų6256.4 Ų56.433%0.33230%0.295SS..EExtended strand (participates in β ladder)trans-71.8132178.6-67.8-22.1000110.6R971 I973 H1054N941-R971 CarbonylContact C-O 3.51Å; N941-R971 WeakPolarHBondContact CA-O 3.4Å; N941-I973 HydrophobicContact CB-CD1 3.87Å; N941-I973 HydrophobicContact CB-CG1 4.08Å; N941-I973 HydrophobicContact CB-CG2 3.83Å; N941-I973 WeakPolarHBondContact OD1-CG2 3.39Å; N941-H1054 HydrophobicContact CB-CB 4.11Å; N941-H1054 WeakPolarHBondContact O-CB 3.45Å; N941-H1054 PolarHBondContact O-N 3.2Å
942V88.9Confident78.6Confident0 Ų055.2 Ų55.20%029%0.288CS..EExtended strand (participates in β ladder)trans-123.8137.1178.2171.60000109.3I921 L944 C970 R971 V972 I973 I1051 F1052 L1053I921-V942 HydrophobicContact CD1-CG1 4.37Å; V942-L944 HydrophobicContact CG1-CD2 3.85Å; V942-L944 HydrophobicContact CG1-CG 4.37Å; V942-C970 HydrophobicContact CB-CB 4.43Å; V942-C970 HydrophobicContact CG2-CB 3.57Å; V942-R971 PolarHBondContact N-O 2.74Å; V942-V972 HydrophobicContact CB-CG2 4.45Å; V942-V972 CarbonylContact O-C 3.59Å; V942-V972 VanDerWaalsContact O-CA 3.31Å; V942-V972 WeakPolarHBondContact O-CA 3.36Å; V942-I973 WeakPolarHBondContact O-CG1 3.4Å; V942-I973 PolarHBondContact O-N 3.43Å; V942-I1051 HydrophobicContact CG1-CG2 3.73Å; V942-F1052 CarbonylContact C-O 3.55Å; V942-F1052 VanDerWaalsContact CA-O 3.27Å; V942-F1052 WeakPolarHBondContact CA-O 3.33Å; V942-L1053 HydrophobicContact CG2-CB 4.44Å; V942-L1053 HydrophobicContact CG2-CD1 3.47Å; V942-L1053 VanDerWaalsContact CG2-CD1 3.47Å
943L88.1Confident79.6Confident5 Ų551.8 Ų51.83%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-110137.4167.9-51.684.4000109I973 Q974 A982 N983 F1052L943-I973 HydrophobicContact CD1-CD1 4.01Å; L943-I973 HydrophobicContact CD1-CG1 4.32Å; L943-I973 HydrophobicContact CG-CD1 4.03Å; L943-I973 HydrophobicContact CG-CG1 4.01Å; L943-Q974 WeakPolarHBondContact CA-O 3.23Å; L943-Q974 HydrophobicContact CD2-CB 4.11Å; L943-Q974 HydrophobicContact CG-CB 4.25Å; L943-A982 HydrophobicContact CD2-CB 4.23Å; L943-N983 WeakPolarHBondContact CD2-O 3.27Å; L943-F1052 HydrophobicContact CB-CB 4.18Å; L943-F1052 HydrophobicContact CD1-CB 4.19Å; L943-F1052 PolarHBondContact N-O 3.09Å; L943-F1052 PolarHBondContact O-N 3.34Å
944L89.6Confident80.6Confident0 Ų048.1 Ų48.10%025%0.246CC..EExtended strand (participates in β ladder)trans-112.1128175.5-56.6177.8000109.6I917 V942 L954 V972 Q974 M975 V976 Q1050 I1051I917-L944 HydrophobicContact CG2-CD2 4.34Å; V942-L944 HydrophobicContact CG1-CD2 3.85Å; V942-L944 HydrophobicContact CG1-CG 4.37Å; L944-L954 HydrophobicContact CD1-CD1 4.1Å; L944-V972 HydrophobicContact CD1-CG1 3.98Å; L944-V972 HydrophobicContact CD1-CG2 4.34Å; L944-V972 HydrophobicContact CG-CG1 4.06Å; L944-Q974 PolarHBondContact N-O 3.29Å; L944-M975 HydrophobicContact CB-CG 4.19Å; L944-M975 HydrophobicContact CD1-CG 4.32Å; L944-M975 HydrophobicContact CD1-SD 4.3Å; L944-M975 WeakPolarHBondContact O-CA 3.42Å; L944-V976 PolarHBondContact O-N 2.91Å; L944-Q1050 WeakPolarHBondContact CA-O 3.42Å; L944-I1051 HydrophobicContact CD2-CB 4.34Å; L944-I1051 HydrophobicContact CD2-CG1 3.85Å; L944-I1051 HydrophobicContact CD2-CG2 4.23Å
945I86.3Confident81.6Confident11 Ų1149.3 Ų49.36%0.05625%0.252CS..EExtended strand (participates in β ladder)trans-118.7113.9174-47.5-174.6000108.1V976 R979 A982 Q1050 F1052I945-V976 WeakPolarHBondContact CA-O 3.49Å; I945-V976 HydrophobicContact CB-CG2 4.42Å; I945-V976 HydrophobicContact CD1-CG2 4.3Å; I945-V976 HydrophobicContact CG1-CG2 3.83Å; I945-V976 HydrophobicContact CG2-CG2 4.28Å; I945-R979 HydrophobicContact CD1-CB 4.38Å; I945-R979 HydrophobicContact CD1-CG 4.15Å; I945-R979 HydrophobicContact CG2-CB 4.39Å; I945-A982 HydrophobicContact CD1-CB 3.7Å; I945-A982 HydrophobicContact CG1-CB 4.32Å; I945-Q1050 HydrophobicContact CB-CB 4.24Å; I945-Q1050 PolarHBondContact N-O 2.88Å; I945-Q1050 PolarHBondContact O-N 2.99Å; I945-F1052 HydrophobicContact CD1-CD2 3.87Å; I945-F1052 HydrophobicContact CD1-CE2 3.42Å; I945-F1052 VanDerWaalsContact CD1-CE2 3.42Å; I945-F1052 HydrophobicContact CD1-CZ 4.22Å; I945-F1052 HydrophobicContact CG1-CD2 4.07Å; I945-F1052 HydrophobicContact CG1-CE2 3.93Å
946A87.3Confident82.7Confident5 Ų555.5 Ų55.54%0.04129%0.285CS..  trans-154.6165.6-176.800000110.2I950 L951 V976 S977 C1049A946-I950 HydrophobicContact CB-CB 3.79Å; A946-I950 HydrophobicContact CB-CD1 4.03Å; A946-I950 HydrophobicContact CB-CG2 3.57Å; A946-L951 HydrophobicContact CB-CD2 3.96Å; A946-L951 HydrophobicContact CB-CG 4.28Å; A946-V976 PolarHBondContact N-O 2.99Å; A946-S977 VanDerWaalsContact O-CA 3.28Å; A946-S977 WeakPolarHBondContact O-CA 3.35Å; A946-C1049 HydrophobicContact CB-CB 4.01Å
947S84.1Confident83.7Confident30 Ų3051.2 Ų51.221%0.2126%0.264CS..  trans-55.6153175.361.60000112.2T949 I950 L951S947-T949 PolarHBondContact O-N 3.26Å; S947-T949 VanDerWaalsContact O-N 3.12Å; S947-T949 PolarHBondContact OG-OG1 2.84Å; S947-I950 PolarHBondContact O-N 3.44Å; S947-I950 WeakPolarHBondContact OG-CG1 3.48Å; S947-I950 PolarHBondContact OG-N 2.72Å; S947-L951 WeakPolarHBondContact O-CG 3.37Å; S947-L951 PolarHBondContact O-N 3.22Å
948E82.5Confident84.5Confident139 Ų13945.5 Ų45.565%0.6525%0.246SC*.Hα-helixtrans-57-30.8178.3-170.5163.2-162.100112.4S952E948-S952 WeakPolarHBondContact O-CB 3.25Å; E948-S952 PolarHBondContact O-N 2.93Å; E948-S952 PolarHBondContact O-OG 3.45Å
949T80.7Confident85.3Confident71 Ų7139.5 Ų39.544%0.43622%0.218SC..Hα-helixtrans-61.8-49.9171.4500000112.8S947 L951 S952 T953 W999S947-T949 PolarHBondContact O-N 3.26Å; S947-T949 VanDerWaalsContact O-N 3.12Å; S947-T949 PolarHBondContact OG-OG1 2.84Å; T949-L951 PolarHBondContact O-N 2.87Å; T949-S952 PolarHBondContact O-N 3.02Å; T949-T953 PolarHBondContact O-N 2.96Å; T949-T953 PolarHBondContact O-OG1 3.49Å; T949-W999 WeakPolarHBondContact OG1-CZ2 3.22Å
950I85Confident85.8Confident0 Ų037.2 Ų37.20%020%0.203CC..Hα-helixtrans-61.8-45.9177.1-73.1167.7000110.3L913 A946 S947 S952 T953 L954 A994 I997 A1047L913-I950 HydrophobicContact CD2-CG1 4.2Å; L913-I950 HydrophobicContact CD2-CG2 3.78Å; A946-I950 HydrophobicContact CB-CB 3.79Å; A946-I950 HydrophobicContact CB-CD1 4.03Å; A946-I950 HydrophobicContact CB-CG2 3.57Å; S947-I950 PolarHBondContact O-N 3.44Å; S947-I950 WeakPolarHBondContact OG-CG1 3.48Å; S947-I950 PolarHBondContact OG-N 2.72Å; I950-S952 VanDerWaalsContact C-N 3.32Å; I950-S952 PolarHBondContact O-N 2.84Å; I950-T953 WeakPolarHBondContact O-CB 3.45Å; I950-T953 PolarHBondContact O-N 3.35Å; I950-L954 HydrophobicContact CG2-CD1 4.1Å; I950-L954 HydrophobicContact CG2-CG 4.33Å; I950-L954 WeakPolarHBondContact O-CG 3.48Å; I950-L954 PolarHBondContact O-N 3.31Å; I950-A994 HydrophobicContact CD1-CB 3.88Å; I950-A994 HydrophobicContact CG1-CB 4.48Å; I950-I997 HydrophobicContact CG1-CD1 4.4Å; I950-A1047 HydrophobicContact CD1-CB 3.76Å; I950-A1047 HydrophobicContact CG1-CB 4.49Å
951L86.4Confident85.7Confident13 Ų1339.7 Ų39.77%0.06822%0.222CC..Hα-helixtrans-62.9-42.9-179.5-62.8-176.2000111A946 S947 T949 T953 L954 I955 M975 V976A946-L951 HydrophobicContact CB-CD2 3.96Å; A946-L951 HydrophobicContact CB-CG 4.28Å; S947-L951 WeakPolarHBondContact O-CG 3.37Å; S947-L951 PolarHBondContact O-N 3.22Å; T949-L951 PolarHBondContact O-N 2.87Å; L951-T953 VanDerWaalsContact C-N 3.33Å; L951-T953 PolarHBondContact O-N 2.82Å; L951-L954 PolarHBondContact O-N 2.83Å; L951-I955 WeakPolarHBondContact O-CB 3.47Å; L951-I955 WeakPolarHBondContact O-CD1 3.3Å; L951-I955 WeakPolarHBondContact O-CG1 3.32Å; L951-I955 PolarHBondContact O-N 3.49Å; L951-M975 HydrophobicContact CD1-CB 4.43Å; L951-M975 HydrophobicContact CD2-CB 3.97Å; L951-M975 HydrophobicContact CD2-CG 4.45Å; L951-M975 HydrophobicContact CD2-SD 4.4Å; L951-V976 VanDerWaalsContact CD1-C 3.42Å
952S84.8Confident85.3Confident47 Ų4738 Ų3833%0.32921%0.213SC..Hα-helixtrans-59.8-42.5174.5-61.50000111.5E948 T949 I950 I955 N956E948-S952 WeakPolarHBondContact O-CB 3.25Å; E948-S952 PolarHBondContact O-N 2.93Å; E948-S952 PolarHBondContact O-OG 3.45Å; T949-S952 PolarHBondContact O-N 3.02Å; I950-S952 VanDerWaalsContact C-N 3.32Å; I950-S952 PolarHBondContact O-N 2.84Å; S952-I955 PolarHBondContact O-N 2.95Å; S952-N956 WeakPolarHBondContact O-CB 3.38Å; S952-N956 PolarHBondContact O-N 3.13Å; S952-N956 PolarHBondContact O-ND2 2.73Å
953T85.7Confident85.2Confident31 Ų3138 Ų3819%0.1921%0.213CC..Hα-helixtrans-59.6-47.9173.8-65.60000112D910 T949 I950 L951 I955 G957D910-T953 HydrophobicContact CB-CG2 3.64Å; D910-T953 WeakPolarHBondContact OD1-CG2 3.43Å; T949-T953 PolarHBondContact O-N 2.96Å; T949-T953 PolarHBondContact O-OG1 3.49Å; I950-T953 WeakPolarHBondContact O-CB 3.45Å; I950-T953 PolarHBondContact O-N 3.35Å; L951-T953 VanDerWaalsContact C-N 3.33Å; L951-T953 PolarHBondContact O-N 2.82Å; T953-I955 VanDerWaalsContact C-N 3.3Å; T953-I955 PolarHBondContact O-N 2.94Å; T953-G957 PolarHBondContact O-N 3.15Å
954L87.7Confident85.3Confident0 Ų037.8 Ų37.80%021%0.212CC..Hα-helixtrans-61.3-39179-68.8179.5000112.4V914 I917 L944 I950 L951 Q958 Y959 V960 I964V914-L954 HydrophobicContact CG2-CD2 3.71Å; I917-L954 HydrophobicContact CD1-CD1 4.1Å; I917-L954 HydrophobicContact CD1-CD2 4.24Å; L944-L954 HydrophobicContact CD1-CD1 4.1Å; I950-L954 HydrophobicContact CG2-CD1 4.1Å; I950-L954 HydrophobicContact CG2-CG 4.33Å; I950-L954 WeakPolarHBondContact O-CG 3.48Å; I950-L954 PolarHBondContact O-N 3.31Å; L951-L954 PolarHBondContact O-N 2.83Å; L954-Q958 PolarHBondContact O-N 3.47Å; L954-Y959 HydrophobicContact CD2-CD2 4.47Å; L954-Y959 PolarHBondContact O-N 3.12Å; L954-V960 HydrophobicContact CB-CG2 3.91Å; L954-I964 HydrophobicContact CD1-CD1 4.5Å; L954-I964 HydrophobicContact CD2-CD1 3.89Å
955I86.5Confident85.2Confident93 Ų9340.3 Ų40.348%0.47722%0.223SC..Hα-helixtrans-73.9-51179.2-67.7164.4000110.9L951 S952 T953 G957 Q958 M975L951-I955 WeakPolarHBondContact O-CB 3.47Å; L951-I955 WeakPolarHBondContact O-CD1 3.3Å; L951-I955 WeakPolarHBondContact O-CG1 3.32Å; L951-I955 PolarHBondContact O-N 3.49Å; S952-I955 PolarHBondContact O-N 2.95Å; T953-I955 VanDerWaalsContact C-N 3.3Å; T953-I955 PolarHBondContact O-N 2.94Å; I955-G957 VanDerWaalsContact C-N 3.3Å; I955-G957 PolarHBondContact O-N 3.06Å; I955-Q958 PolarHBondContact O-N 3.11Å; I955-M975 HydrophobicContact CD1-CE 4.03Å; I955-M975 HydrophobicContact CG1-CE 3.68Å
956N83.7Confident85Confident133 Ų13342 Ų4271%0.71124%0.235SC*.Hα-helixtrans-62.8-37.1-176.9-70.3-17.6000112.1S952 Q958S952-N956 WeakPolarHBondContact O-CB 3.38Å; S952-N956 PolarHBondContact O-N 3.13Å; S952-N956 PolarHBondContact O-ND2 2.73Å; N956-Q958 PolarHBondContact O-N 3.04Å
957G83Confident84.8Confident9 Ų942.2 Ų42.29%0.09324%0.236CC..THydrogen-bonded Turntrans-79.2-3.6174.800000114.6G769 T953 I955 Y959G769-G957 WeakPolarHBondContact CA-O 3.32Å; G769-G957 PolarHBondContact N-O 3.14Å; T953-G957 PolarHBondContact O-N 3.15Å; I955-G957 VanDerWaalsContact C-N 3.3Å; I955-G957 PolarHBondContact O-N 3.06Å; G957-Y959 PolarHBondContact O-N 3.26Å
958Q85.2Confident84.9Confident99 Ų9940.8 Ų40.846%0.46323%0.226SC..THydrogen-bonded Turntrans57.419.8-172.6-59.4177-1300113.6L954 I955 N956 V960 S961 D962L954-Q958 PolarHBondContact O-N 3.47Å; I955-Q958 PolarHBondContact O-N 3.11Å; N956-Q958 PolarHBondContact O-N 3.04Å; Q958-V960 PolarHBondContact O-N 3.21Å; Q958-V960 VanDerWaalsContact O-N 3.16Å; Q958-S961 PolarHBondContact O-OG 3.44Å; Q958-D962 WeakPolarHBondContact O-CB 3.41Å; Q958-D962 VanDerWaalsContact O-CG 3.3Å; Q958-D962 PolarHBondContact O-N 2.94Å
959Y89.3Confident84.9Confident3 Ų337.9 Ų37.91%0.01221%0.209CC..Hα-helixtrans-65.2-25.9-169.3-64.4-57.6000114.3G769 V907 D910 F911 V914 L954 G957 V963 I964G769-Y959 PolarHBondContact O-OH 3.48Å; V907-Y959 WeakPolarHBondContact CG2-OH 3.39Å; D910-Y959 HydrophobicContact CB-CE2 3.88Å; F911-Y959 HydrophobicContact CD2-CD1 4.06Å; F911-Y959 AromaticContact CD2-CE1 3.64Å; F911-Y959 HydrophobicContact CD2-CE1 3.64Å; F911-Y959 HydrophobicContact CE2-CD1 4.31Å; F911-Y959 HydrophobicContact CE2-CE1 4.2Å; V914-Y959 HydrophobicContact CG2-CD1 4.03Å; V914-Y959 HydrophobicContact CG2-CD2 3.77Å; V914-Y959 HydrophobicContact CG2-CE2 4.45Å; V914-Y959 HydrophobicContact CG2-CG 3.53Å; L954-Y959 HydrophobicContact CD2-CD2 4.47Å; L954-Y959 PolarHBondContact O-N 3.12Å; G957-Y959 PolarHBondContact O-N 3.26Å; Y959-V963 PolarHBondContact O-N 3.21Å; Y959-I964 PolarHBondContact O-N 2.99Å
960V86.4Confident85.1Confident17 Ų1734.7 Ų34.710%0.10319%0.189CC..Iπ-helixtrans-64.3-63.1-175.3-174.90000110.9L954 Q958 D962 I964 E965 V972 M975L954-V960 HydrophobicContact CB-CG2 3.91Å; Q958-V960 PolarHBondContact O-N 3.21Å; Q958-V960 VanDerWaalsContact O-N 3.16Å; V960-D962 VanDerWaalsContact C-N 3.33Å; V960-I964 PolarHBondContact O-N 2.8Å; V960-E965 WeakPolarHBondContact O-CG 3.32Å; V960-E965 PolarHBondContact O-N 2.88Å; V960-V972 HydrophobicContact CG1-CB 3.59Å; V960-V972 HydrophobicContact CG1-CG1 3.9Å; V960-V972 HydrophobicContact CG1-CG2 3.79Å; V960-M975 HydrophobicContact CG1-SD 4.45Å; V960-M975 HydrophobicContact CG2-CE 3.98Å; V960-M975 HydrophobicContact CG2-SD 3.65Å
961S80.1Confident85.3Confident66 Ų6642 Ų4246%0.46222%0.217SC..Iπ-helixtrans-67.2-35.2178.950.20000112.3Q958 P966Q958-S961 PolarHBondContact O-OG 3.44Å; S961-P966 VanDerWaalsContact O-CD 3.31Å; S961-P966 WeakPolarHBondContact O-CD 3.46Å; S961-P966 WeakPolarHBondContact O-CG 3.4Å
962D80.7Confident85.3Confident27 Ų2742.2 Ų42.214%0.14422%0.219CC..Iπ-helixtrans-79.1-40.9-170.2-81.126.7000112.3Y816 Q958 V960 P966Y816-D962 HydrophobicContact CD2-CB 4.21Å; Y816-D962 WeakPolarHBondContact CD2-O 3.28Å; Y816-D962 HydrophobicContact CE2-CB 3.46Å; Y816-D962 VanDerWaalsContact CE2-CB 3.46Å; Y816-D962 WeakPolarHBondContact CE2-OD2 3.24Å; Y816-D962 PolarHBondContact OH-OD2 2.67Å; Q958-D962 WeakPolarHBondContact O-CB 3.41Å; Q958-D962 VanDerWaalsContact O-CG 3.3Å; Q958-D962 PolarHBondContact O-N 2.94Å; V960-D962 VanDerWaalsContact C-N 3.33Å; D962-P966 WeakPolarHBondContact O-CG 3.46Å
963V86.2Confident85.4Confident0 Ų044 Ų440%022%0.224CC..Iπ-helixtrans-129.8-46.3-167-166.70000112.3T770 Y816 F911 V914 I918 Y959 L967T770-V963 HydrophobicContact CG2-CG2 3.76Å; T770-V963 WeakPolarHBondContact OG1-CG2 3.29Å; Y816-V963 HydrophobicContact CD2-CG2 4.19Å; F911-V963 HydrophobicContact CE2-CG1 4.39Å; F911-V963 HydrophobicContact CE2-CG2 4.16Å; F911-V963 HydrophobicContact CZ-CG1 4.07Å; V914-V963 HydrophobicContact CG1-CB 4.15Å; V914-V963 HydrophobicContact CG1-CG1 4.08Å; I918-V963 HydrophobicContact CD1-CB 4.46Å; I918-V963 HydrophobicContact CD1-CG1 3.61Å; Y959-V963 PolarHBondContact O-N 3.21Å; V963-L967 HydrophobicContact CG1-CD1 3.55Å; V963-L967 HydrophobicContact CG1-CG 4.03Å; V963-L967 WeakPolarHBondContact O-CB 2.93Å; V963-L967 WeakPolarHBondContact O-CG 3.31Å; V963-L967 PolarHBondContact O-N 2.79Å
964I89.5Confident85.4Confident0 Ų046 Ų460%023%0.231CC..Iπ-helixtrans-65.1-49.4-176.4-63.4175.3000110.6V914 I917 I918 I921 L954 Y959 V960 G968 V972V914-I964 HydrophobicContact CG1-CD1 4.42Å; V914-I964 HydrophobicContact CG1-CG1 3.85Å; I917-I964 HydrophobicContact CD1-CD1 4.28Å; I917-I964 HydrophobicContact CG2-CD1 4.14Å; I917-I964 HydrophobicContact CG2-CG1 4.47Å; I917-I964 HydrophobicContact CG2-CG2 4.05Å; I918-I964 HydrophobicContact CG1-CG1 4.36Å; I921-I964 HydrophobicContact CD1-CG2 3.91Å; L954-I964 HydrophobicContact CD1-CD1 4.5Å; L954-I964 HydrophobicContact CD2-CD1 3.89Å; Y959-I964 PolarHBondContact O-N 2.99Å; V960-I964 PolarHBondContact O-N 2.8Å; I964-G968 WeakPolarHBondContact O-CA 3.22Å; I964-G968 PolarHBondContact O-N 2.81Å; I964-V972 HydrophobicContact CG2-CG2 4Å
965E87.9Confident85.5Confident52 Ų5248.8 Ų48.824%0.24325%0.245CC..Hα-helixtrans-64.4-51.8178.7-68.2-173150.200112.2V960 R969 C970 R971 V972V960-E965 WeakPolarHBondContact O-CG 3.32Å; V960-E965 PolarHBondContact O-N 2.88Å; E965-R969 WeakPolarHBondContact O-CA 3.35Å; E965-R969 PolarHBondContact O-N 3.4Å; E965-C970 VanDerWaalsContact CA-O 3.25Å; E965-C970 WeakPolarHBondContact CA-O 3.48Å; E965-C970 VanDerWaalsContact CB-O 3.24Å; E965-C970 WeakPolarHBondContact CB-O 3.48Å; E965-C970 WeakPolarHBondContact CG-O 3.32Å; E965-C970 PolarHBondContact O-N 3.31Å; E965-C970 VanDerWaalsContact O-N 3.16Å; E965-R971 WeakPolarHBondContact OE1-CA 3.25Å; E965-V972 HydrophobicContact CG-CB 4.39Å; E965-V972 HydrophobicContact CG-CG2 4.08Å; E965-V972 PolarHBondContact OE1-N 2.76Å
966P81.9Confident85.5Confident48 Ų4845.1 Ų45.131%0.31223%0.227SC..Hα-helixtrans-69.5-43.5-176.3-23.137.8000113.3S961 D962S961-P966 VanDerWaalsContact O-CD 3.31Å; S961-P966 WeakPolarHBondContact O-CD 3.46Å; S961-P966 WeakPolarHBondContact O-CG 3.4Å; D962-P966 WeakPolarHBondContact O-CG 3.46Å
967L84Confident85.5Confident9 Ų942.1 Ų42.15%0.04722%0.216CC..Hα-helixtrans-81.8-36.5-179.6-58-169.4000111.8V812 E815 I918 R922 V963 R969V812-L967 HydrophobicContact CG1-CD1 4.01Å; E815-L967 HydrophobicContact CB-CD2 3.44Å; E815-L967 VanDerWaalsContact CB-CD2 3.44Å; E815-L967 HydrophobicContact CG-CD2 4.37Å; I918-L967 HydrophobicContact CD1-CB 4.05Å; I918-L967 HydrophobicContact CD1-CD1 4.34Å; I918-L967 HydrophobicContact CG1-CB 4.4Å; I918-L967 HydrophobicContact CG2-CB 3.92Å; R922-L967 PolarHBondContact NE-O 2.88Å; R922-L967 PolarHBondContact NH2-O 3.28Å; V963-L967 HydrophobicContact CG1-CD1 3.55Å; V963-L967 HydrophobicContact CG1-CG 4.03Å; V963-L967 WeakPolarHBondContact O-CB 2.93Å; V963-L967 WeakPolarHBondContact O-CG 3.31Å; V963-L967 PolarHBondContact O-N 2.79Å; L967-R969 PolarHBondContact O-N 3.23Å
968G84.9Confident85.3Confident0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-68.2-20.3173.100000113.2I921 I964 C970I921-G968 WeakPolarHBondContact CG2-O 3.31Å; I964-G968 WeakPolarHBondContact O-CA 3.22Å; I964-G968 PolarHBondContact O-N 2.81Å; G968-C970 VanDerWaalsContact C-N 3.32Å
969R82.7Confident84.7Confident77 Ų7743.9 Ų43.929%0.29122%0.221SC..THydrogen-bonded Turntrans57.448.1-174.7-58.8173.9175.1151.2-0.9111.1A935 N936 E965 L967A935-R969 HydrophobicContact CB-CB 4.24Å; N936-R969 WeakPolarHBondContact OD1-CD 3.45Å; N936-R969 PolarHBondContact OD1-NE 3.18Å; N936-R969 VanDerWaalsContact OD1-NE 3.15Å; E965-R969 WeakPolarHBondContact O-CA 3.35Å; E965-R969 PolarHBondContact O-N 3.4Å; L967-R969 PolarHBondContact O-N 3.23Å
970C86.5Confident84.1Confident4 Ų452.6 Ų52.63%0.02726%0.259CS..EExtended strand (participates in β ladder)trans-143.1170.2-174.267.40000109.7I921 L940 V942 E965 G968I921-C970 HydrophobicContact CG2-CB 4.23Å; L940-C970 CarbonylContact O-C 3.54Å; L940-C970 VanDerWaalsContact O-CA 3.26Å; L940-C970 WeakPolarHBondContact O-CA 3.3Å; L940-C970 WeakPolarHBondContact O-CB 3.07Å; V942-C970 HydrophobicContact CB-CB 4.43Å; V942-C970 HydrophobicContact CG2-CB 3.57Å; E965-C970 VanDerWaalsContact CA-O 3.25Å; E965-C970 WeakPolarHBondContact CA-O 3.48Å; E965-C970 VanDerWaalsContact CB-O 3.24Å; E965-C970 WeakPolarHBondContact CB-O 3.48Å; E965-C970 WeakPolarHBondContact CG-O 3.32Å; E965-C970 PolarHBondContact O-N 3.31Å; E965-C970 VanDerWaalsContact O-N 3.16Å; G968-C970 VanDerWaalsContact C-N 3.32Å
971R87.8Confident83.7Confident153 Ų15356.7 Ų56.758%0.57728%0.28SS*.EExtended strand (participates in β ladder)trans-120.9118172.3-174.6178.9-176.1178.30.6108.3P939 L940 N941 V942 E965 I973P939-R971 HydrophobicContact CB-CB 4.47Å; L940-R971 PolarHBondContact O-N 2.73Å; N941-R971 CarbonylContact C-O 3.51Å; N941-R971 WeakPolarHBondContact CA-O 3.4Å; V942-R971 PolarHBondContact N-O 2.74Å; E965-R971 WeakPolarHBondContact OE1-CA 3.25Å; R971-I973 HydrophobicContact CG-CG2 4.28Å; R971-I973 PolarHBondContact O-N 3.41Å
972V87.9Confident83.6Confident19 Ų1954.3 Ų54.312%0.11526%0.264CS..EExtended strand (participates in β ladder)trans-81.8101.4178.6179.90000107.7V942 L944 V960 I964 E965 M975V942-V972 HydrophobicContact CB-CG2 4.45Å; V942-V972 CarbonylContact O-C 3.59Å; V942-V972 VanDerWaalsContact O-CA 3.31Å; V942-V972 WeakPolarHBondContact O-CA 3.36Å; L944-V972 HydrophobicContact CD1-CG1 3.98Å; L944-V972 HydrophobicContact CD1-CG2 4.34Å; L944-V972 HydrophobicContact CG-CG1 4.06Å; V960-V972 HydrophobicContact CG1-CB 3.59Å; V960-V972 HydrophobicContact CG1-CG1 3.9Å; V960-V972 HydrophobicContact CG1-CG2 3.79Å; I964-V972 HydrophobicContact CG2-CG2 4Å; E965-V972 HydrophobicContact CG-CB 4.39Å; E965-V972 HydrophobicContact CG-CG2 4.08Å; E965-V972 PolarHBondContact OE1-N 2.76Å; V972-M975 HydrophobicContact CG1-CG 3.77Å; V972-M975 HydrophobicContact CG1-SD 4.37Å
973I85.8Confident83.5Confident84 Ų8458.1 Ų58.143%0.43129%0.285SS..EExtended strand (participates in β ladder)trans-83.9-26-174.954.5161.3000112.8N941 V942 L943 R971N941-I973 HydrophobicContact CB-CD1 3.87Å; N941-I973 HydrophobicContact CB-CG1 4.08Å; N941-I973 HydrophobicContact CB-CG2 3.83Å; N941-I973 WeakPolarHBondContact OD1-CG2 3.39Å; V942-I973 WeakPolarHBondContact O-CG1 3.4Å; V942-I973 PolarHBondContact O-N 3.43Å; L943-I973 HydrophobicContact CD1-CD1 4.01Å; L943-I973 HydrophobicContact CD1-CG1 4.32Å; L943-I973 HydrophobicContact CG-CD1 4.03Å; L943-I973 HydrophobicContact CG-CG1 4.01Å; R971-I973 HydrophobicContact CG-CG2 4.28Å; R971-I973 PolarHBondContact O-N 3.41Å
974Q86.2Confident83.1Confident72 Ų7258.6 Ų58.634%0.33629%0.288SS..EExtended strand (participates in β ladder)trans-153.9139-175.3-153.3-176.4-7.200111.1L943 L944 V976 N981L943-Q974 WeakPolarHBondContact CA-O 3.23Å; L943-Q974 HydrophobicContact CD2-CB 4.11Å; L943-Q974 HydrophobicContact CG-CB 4.25Å; L944-Q974 PolarHBondContact N-O 3.29Å; Q974-V976 HydrophobicContact CG-CG1 3.97Å; Q974-V976 VanDerWaalsContact NE2-CG1 3.35Å; Q974-N981 PolarHBondContact NE2-O 3.29Å
975M88.5Confident82.3Confident60 Ų6061.2 Ų61.230%0.29631%0.306SS..EExtended strand (participates in β ladder)trans-127.1120.2171.8-66.2-170-71.900108.3L944 L951 I955 V960 V972L944-M975 HydrophobicContact CB-CG 4.19Å; L944-M975 HydrophobicContact CD1-CG 4.32Å; L944-M975 HydrophobicContact CD1-SD 4.3Å; L944-M975 WeakPolarHBondContact O-CA 3.42Å; L951-M975 HydrophobicContact CD1-CB 4.43Å; L951-M975 HydrophobicContact CD2-CB 3.97Å; L951-M975 HydrophobicContact CD2-CG 4.45Å; L951-M975 HydrophobicContact CD2-SD 4.4Å; I955-M975 HydrophobicContact CD1-CE 4.03Å; I955-M975 HydrophobicContact CG1-CE 3.68Å; V960-M975 HydrophobicContact CG1-SD 4.45Å; V960-M975 HydrophobicContact CG2-CE 3.98Å; V960-M975 HydrophobicContact CG2-SD 3.65Å; V972-M975 HydrophobicContact CG1-CG 3.77Å; V972-M975 HydrophobicContact CG1-SD 4.37Å
976V87.4Confident81.6Confident16 Ų1659 Ų5910%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-133.3142.1-177.4-63.80000112.4L944 I945 A946 L951 Q974 D978 N981 A982L944-V976 PolarHBondContact O-N 2.91Å; I945-V976 WeakPolarHBondContact CA-O 3.49Å; I945-V976 HydrophobicContact CB-CG2 4.42Å; I945-V976 HydrophobicContact CD1-CG2 4.3Å; I945-V976 HydrophobicContact CG1-CG2 3.83Å; I945-V976 HydrophobicContact CG2-CG2 4.28Å; A946-V976 PolarHBondContact N-O 2.99Å; L951-V976 VanDerWaalsContact CD1-C 3.42Å; Q974-V976 HydrophobicContact CG-CG1 3.97Å; Q974-V976 VanDerWaalsContact NE2-CG1 3.35Å; V976-D978 WeakPolarHBondContact CG2-O 3.33Å; V976-N981 HydrophobicContact CB-CB 4.34Å; V976-N981 HydrophobicContact CG1-CB 4.01Å; V976-A982 HydrophobicContact CG2-CB 3.78Å
977S84.2Confident81.5Confident70 Ų7056.8 Ų56.849%0.4928%0.283SS..SBendtrans-80.9-33.2174.853.50000113A946A946-S977 VanDerWaalsContact O-CA 3.28Å; A946-S977 WeakPolarHBondContact O-CA 3.35Å
978D79.4Confident81.3Confident70 Ų7056.6 Ų56.637%0.37428%0.282SS..SBendtrans-106.9126.1176.2-169.2-16.1000110.8V976 K980 N981V976-D978 WeakPolarHBondContact CG2-O 3.33Å; D978-K980 PolarHBondContact O-N 3.38Å; D978-K980 PolarHBondContact OD1-N 2.96Å; D978-N981 PolarHBondContact O-N 2.65Å; D978-N981 VanDerWaalsContact O-N 3.1Å
979R71.9Confident81.2Confident75 Ų7557.7 Ų57.728%0.28329%0.29SS..G310 helixtrans-57.1-28177.4-176.6173.7-179.8-176.92113I945 N981 A982 E1115 E1119I945-R979 HydrophobicContact CD1-CB 4.38Å; I945-R979 HydrophobicContact CD1-CG 4.15Å; I945-R979 HydrophobicContact CG2-CB 4.39Å; R979-N981 PolarHBondContact O-N 3.11Å; R979-N981 VanDerWaalsContact O-N 3.13Å; R979-A982 PolarHBondContact O-N 2.85Å; R979-E1115 IonicContact NH1-OE2 3.33Å; R979-E1115 PolarHBondContact NH1-OE2 3.05Å; R979-E1119 IonicContact CZ-OE2 2.62Å; R979-E1119 IonicContact NE-OE2 3.37Å; R979-E1119 PolarHBondContact NE-OE2 3.09Å; R979-E1119 IonicContact NH2-OE2 3.43Å; R979-E1119 PolarHBondContact NH2-OE2 2.66Å
980K75.6Confident81.2Confident185 Ų18554.1 Ų54.180%0.80428%0.277SS*.G310 helixtrans-62.2-18.8177.8-67.1176.3-175.7170.40113.8D978D978-K980 PolarHBondContact O-N 3.38Å; D978-K980 PolarHBondContact OD1-N 2.96Å
981N78.7Confident80.9Confident103 Ų10355.1 Ų55.155%0.55128%0.283SS*.G310 helixtrans-97.10-176.4-61.7-24.6000113.5Q974 V976 D978 R979Q974-N981 PolarHBondContact NE2-O 3.29Å; V976-N981 HydrophobicContact CB-CB 4.34Å; V976-N981 HydrophobicContact CG1-CB 4.01Å; D978-N981 PolarHBondContact O-N 2.65Å; D978-N981 VanDerWaalsContact O-N 3.1Å; R979-N981 PolarHBondContact O-N 3.11Å; R979-N981 VanDerWaalsContact O-N 3.13Å
982A78.7Confident80.6Confident16 Ų1648.3 Ų48.313%0.13226%0.259CS..  trans-105.1133.2178.700000111.3L943 I945 V976 R979 T984L943-A982 HydrophobicContact CD2-CB 4.23Å; I945-A982 HydrophobicContact CD1-CB 3.7Å; I945-A982 HydrophobicContact CG1-CB 4.32Å; V976-A982 HydrophobicContact CG2-CB 3.78Å; R979-A982 PolarHBondContact O-N 2.85Å; A982-T984 HydrophobicContact CB-CG2 4.41Å
983N77.7Confident80Confident108 Ų10848.9 Ų48.958%0.57826%0.264SS*.  trans-88.4108.6164.9-176.98.5000109.6L943 S985L943-N983 WeakPolarHBondContact CD2-O 3.27Å; N983-S985 PolarHBondContact ND2-OG 3Å; N983-S985 VanDerWaalsContact OD1-CB 3.25Å; N983-S985 WeakPolarHBondContact OD1-CB 3.43Å; N983-S985 PolarHBondContact OD1-N 3.48Å; N983-S985 PolarHBondContact OD1-OG 3.43Å
984T77.2Confident79Confident10 Ų1045.1 Ų45.16%0.06125%0.245CC..  trans-94.32.7-178.2610000113A982 G986 C987 F1052 E1119 N1123A982-T984 HydrophobicContact CB-CG2 4.41Å; T984-G986 PolarHBondContact O-N 2.57Å; T984-C987 VanDerWaalsContact O-CB 3.26Å; T984-C987 WeakPolarHBondContact O-CB 3.4Å; T984-C987 PolarHBondContact O-N 2.75Å; T984-C987 VanDerWaalsContact O-N 3.14Å; T984-F1052 HydrophobicContact CG2-CD1 3.57Å; T984-F1052 HydrophobicContact CG2-CD2 4.33Å; T984-F1052 HydrophobicContact CG2-CE1 3.5Å; T984-F1052 HydrophobicContact CG2-CE2 4.29Å; T984-F1052 HydrophobicContact CG2-CG 3.99Å; T984-F1052 HydrophobicContact CG2-CZ 3.88Å; T984-E1119 PolarHBondContact OG1-OE1 3.06Å; T984-N1123 PolarHBondContact O-ND2 3.09Å; T984-N1123 PolarHBondContact OG1-ND2 2.89Å
985S73.9Confident77.5Confident54 Ų5443.7 Ų43.738%0.37824%0.243SC..THydrogen-bonded Turntrans-54.6135.8179.768.20000110.7N983 C987 H1054N983-S985 PolarHBondContact ND2-OG 3Å; N983-S985 VanDerWaalsContact OD1-CB 3.25Å; N983-S985 WeakPolarHBondContact OD1-CB 3.43Å; N983-S985 PolarHBondContact OD1-N 3.48Å; N983-S985 PolarHBondContact OD1-OG 3.43Å; S985-C987 VanDerWaalsContact C-N 3.26Å; S985-C987 PolarHBondContact O-N 3.36Å; S985-H1054 PolarHBondContact O-CD2 3.07Å
986G73Confident75.8Confident7 Ų745.1 Ų45.17%0.07225%0.252CS..THydrogen-bonded Turntrans77.23.3178.400000115.9T984 V1055 A1056T984-G986 PolarHBondContact O-N 2.57Å; G986-V1055 PolarHBondContact O-N 3.29Å; G986-A1056 PolarHBondContact O-N 3Å; G986-A1056 VanDerWaalsContact O-N 3.11Å
987C80.2Confident74Confident1 Ų146.2 Ų46.21%0.00726%0.257CS..EExtended strand (participates in β ladder)trans-102.9148.9-173.9-590000113.9T984 S985 F1052 L1053T984-C987 VanDerWaalsContact O-CB 3.26Å; T984-C987 WeakPolarHBondContact O-CB 3.4Å; T984-C987 PolarHBondContact O-N 2.75Å; T984-C987 VanDerWaalsContact O-N 3.14Å; S985-C987 VanDerWaalsContact C-N 3.26Å; S985-C987 PolarHBondContact O-N 3.36Å; C987-F1052 HydrophobicContact CB-CB 3.91Å; C987-F1052 HydrophobicContact CB-CD1 4.21Å; C987-L1053 CarbonylContact C-O 3.56Å; C987-L1053 WeakPolarHBondContact CA-O 3.24Å
988V79.8Confident71.8Confident4 Ų450.4 Ų50.42%0.02427%0.273CS..EExtended strand (participates in β ladder)trans-96.8147.4159.1-69.90000109.6F1052 L1053 V1055 E1064 V1120V988-F1052 CarbonylContact O-C 3.59Å; V988-F1052 WeakPolarHBondContact O-CA 3.4Å; V988-L1053 HydrophobicContact CG2-CB 3.93Å; V988-L1053 HydrophobicContact CG2-CD2 4.12Å; V988-L1053 HydrophobicContact CG2-CG 4.36Å; V988-L1053 PolarHBondContact N-O 2.7Å; V988-L1053 PolarHBondContact O-N 3.44Å; V988-V1055 HydrophobicContact CB-CG2 4.36Å; V988-V1055 HydrophobicContact CG1-CG2 3.71Å; V988-V1055 HydrophobicContact CG2-CG1 3.87Å; V988-V1055 HydrophobicContact CG2-CG2 4.09Å; V988-E1064 HydrophobicContact CG1-CG 4.3Å; V988-V1120 HydrophobicContact CG1-CG1 4.47Å
989S82.7Confident69.6Low23 Ų2351.6 Ų51.616%0.16127%0.272CS..EExtended strand (participates in β ladder)trans-115.9154.1-173.672.30000113.9L924 I1051 G1116 V1120L924-S989 WeakPolarHBondContact CD2-O 3.44Å; S989-I1051 CarbonylContact C-O 3.57Å; S989-I1051 WeakPolarHBondContact CA-O 3.18Å; S989-G1116 PolarHBondContact OG-O 3.47Å; S989-V1120 VanDerWaalsContact OG-CG2 3.28Å; S989-V1120 WeakPolarHBondContact OG-CG2 3.29Å
990G81.4Confident67.5Low3 Ų353.3 Ų53.33%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-148.6144170.500000111I1051G990-I1051 PolarHBondContact N-O 3.08Å; G990-I1051 PolarHBondContact O-N 3.21Å
991T81Confident65.3Low25 Ų2547.9 Ų47.915%0.15328%0.275CS..EExtended strand (participates in β ladder)trans-108.6137.6177.8-56.90000110.2T1048T991-T1048 HydrophobicContact CG2-CG2 4.15Å
992V82.2Confident62.9Low10 Ų1051 Ų516%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-114.4129.2171.2175.50000108.6L913 N916 I917 R920 T1048 C1049 I1051L913-V992 HydrophobicContact CD1-CG1 3.9Å; N916-V992 HydrophobicContact CB-CG1 3.51Å; I917-V992 HydrophobicContact CG1-CG2 4.47Å; R920-V992 HydrophobicContact CB-CG2 3.57Å; R920-V992 HydrophobicContact CG-CG2 3.87Å; V992-T1048 CarbonylContact O-C 3.54Å; V992-T1048 VanDerWaalsContact O-CA 3.28Å; V992-T1048 WeakPolarHBondContact O-CA 3.43Å; V992-C1049 PolarHBondContact N-O 2.83Å; V992-C1049 PolarHBondContact O-N 3.18Å; V992-I1051 HydrophobicContact CG2-CD1 3.76Å
993S74.1Confident60.3Low31 Ų3159.8 Ų59.822%0.21733%0.325CS..EExtended strand (participates in β ladder)trans-79.5127.7171.4-168.30000109.2S995 K1105 E1109S993-S995 VanDerWaalsContact C-N 3.34Å; S993-K1105 WeakPolarHBondContact OG-CE 3.17Å; S993-E1109 WeakPolarHBondContact CB-OE1 3.38Å; S993-E1109 PolarHBondContact OG-OE1 3.47Å
994A65Low57.7Low4 Ų459.1 Ų59.13%0.03333%0.329CS..  trans-99.841.7174.300000110.6L913 I950 D996 I997 A1047L913-A994 HydrophobicContact CD1-CB 3.74Å; L913-A994 HydrophobicContact CD2-CB 4.07Å; L913-A994 HydrophobicContact CG-CB 4.47Å; I950-A994 HydrophobicContact CD1-CB 3.88Å; I950-A994 HydrophobicContact CG1-CB 4.48Å; A994-D996 PolarHBondContact O-N 2.84Å; A994-I997 HydrophobicContact CB-CD1 4.32Å; A994-I997 PolarHBondContact O-N 3.09Å; A994-A1047 WeakPolarHBondContact CA-O 3.18Å; A994-A1047 HydrophobicContact CB-CB 4.16Å; A994-A1047 VanDerWaalsContact CB-O 3.28Å; A994-A1047 WeakPolarHBondContact CB-O 3.36Å; A994-A1047 PolarHBondContact N-O 3.45Å
995S55.9Low55.4Low43 Ų4364 Ų6430%0.30136%0.361SS..THydrogen-bonded Turntrans-66.5-11.8-168.856.40000116.3S993 K1105S993-S995 VanDerWaalsContact C-N 3.34Å; S995-K1105 PolarHBondContact OG-NZ 2.82Å
996D51.4Low53.1Low89 Ų8967.7 Ų67.748%0.47638%0.38SS..THydrogen-bonded Turntrans-79.8-12.9175.7-53.1-36.5000111.4H912 A994H912-D996 IonicContact CE1-OD2 3.44Å; H912-D996 PolarHBondContact CE1-OD2 3.23Å; H912-D996 VanDerWaalsContact CE1-OD2 3.25Å; H912-D996 IonicContact CG-OD2 3.73Å; H912-D996 IonicContact ND1-OD2 3.8Å; H912-D996 PolarHBondContact ND1-OD2 3.09Å; A994-D996 PolarHBondContact O-N 2.84Å
997I50.3Low50.8Low40 Ų4074.2 Ų74.221%0.20541%0.414CS..SBendtrans-92.993.8169.3-52.5177.6000107.2L913 I950 A994L913-I997 HydrophobicContact CD2-CD1 3.87Å; I950-I997 HydrophobicContact CG1-CD1 4.4Å; A994-I997 HydrophobicContact CB-CD1 4.32Å; A994-I997 PolarHBondContact O-N 3.09Å
998L37.3Very low48Very low157 Ų15780 Ų8082%0.82245%0.449SS*.  trans-71.5139.3-179.9-72.9162.8000111.6
999W34.5Very low45.4Very low95 Ų9586 Ų8636%0.3649%0.485SS..  trans-112.7134.7173.2-71.953.7000110.1T949 A1047T949-W999 WeakPolarHBondContact OG1-CZ2 3.22Å; W999-A1047 HydrophobicContact CZ2-CB 4.29Å
1000S27.5Very low42.6Very low111 Ų11190 Ų9078%0.77651%0.511SS*.  trans-102.2112.3154.9550000108.8E1002S1000-E1002 PolarHBondContact O-N 3.5Å
1001N28.7Very low39.8Very low72 Ų7298.4 Ų98.439%0.38555%0.55SS..  trans-76.173.9171.9-85.3-18000109.6S1043N1001-S1043 PolarHBondContact ND2-O 3.18Å
1002E27.3Very low37.1Very low169 Ų169104.8 Ų104.879%0.7958%0.582SS**  trans-135.282.9159-77.4-167.417400108.6S1000S1000-E1002 PolarHBondContact O-N 3.5Å
1003E24.1Very low34.2Very low199 Ų199110.7 Ų110.793%0.9361%0.614SS**  trans-88.793.7133.3-75.7-175.7173.300105.6
1004S24.9Very low31.9Very low95 Ų95116.1 Ų116.166%0.66464%0.64SS**  trans-134.4129161.4-76.90000107.8
1005P29Very low29.8Very low112 Ų112122.7 Ų122.773%0.72768%0.675SS**  trans-65.9145.2-164.827.7-33.2000109.4N1007P1005-N1007 VanDerWaalsContact C-N 3.32Å; P1005-N1007 PolarHBondContact O-N 2.76Å
1006V24Very low28.3Very low131 Ų131127.4 Ų127.479%0.79470%0.697SS**  trans-37.196.6164.1179.10000109.1T1008V1006-T1008 VanDerWaalsContact C-N 3.27Å; V1006-T1008 PolarHBondContact O-N 2.7Å; V1006-T1008 VanDerWaalsContact O-N 3.08Å
1007N25.2Very low26.9Very low144 Ų144130.2 Ų130.277%0.7771%0.712SS**  trans-77.495.1162.6-92.2-21.4000105.1P1005 V1009P1005-N1007 VanDerWaalsContact C-N 3.32Å; P1005-N1007 PolarHBondContact O-N 2.76Å; N1007-V1009 PolarHBondContact O-N 3.19Å
1008T22.1Very low25.5Very low123 Ų123133 Ų13376%0.75574%0.741SS**  trans-32.9106.7151.134.70000110.1V1006V1006-T1008 VanDerWaalsContact C-N 3.27Å; V1006-T1008 PolarHBondContact O-N 2.7Å; V1006-T1008 VanDerWaalsContact O-N 3.08Å
1009V24.9Very low24.8Very low129 Ų129128.8 Ų128.878%0.78274%0.735SS**  trans-83.5130.2155.8-178.60000106N1007N1007-V1009 PolarHBondContact O-N 3.19Å
1010P24.3Very low24.2Very low107 Ų107132.4 Ų132.470%0.69576%0.758SS**  trans-65143-174.3-15.729.3000112D1012P1010-D1012 PolarHBondContact O-N 2.96Å; P1010-D1012 VanDerWaalsContact O-N 3.08Å
1011E21.8Very low23.8Very low181 Ų181134.1 Ų134.185%0.84676%0.758SS**  trans-58.5100.9162.6-66.9170.8158.100109.1
1012D24.9Very low23.6Very low158 Ų158138.3 Ų138.385%0.84578%0.781SS**  trans-86109.9152.8-83.9-28.1000107.1P1010P1010-D1012 PolarHBondContact O-N 2.96Å; P1010-D1012 VanDerWaalsContact O-N 3.08Å
1013N21.7Very low23.2Very low134 Ų134134.1 Ų134.172%0.71778%0.783SS**  trans-60.4132157.9-66-53.8000108.1
1014D24.5Very low23.1Very low145 Ų145128.1 Ų128.178%0.77577%0.774SS**  173.6116.7117.8-82-20.1000108.7
1015D21.5Very low23Very low143 Ų143130.5 Ų130.577%0.76578%0.779SS**  trans37.7141.3136.6-70.1-24.7000122.6
1016D23.5Very low22.8Very low141 Ų141132.2 Ų132.275%0.75478%0.781SS**  trans98.2118.8147.8-62.5-24.7000120.9
1017D23.2Very low22.8Very low148 Ų148132 Ų13279%0.79178%0.784SS**  trans79.5100.9139.8-73.6-23.1000121.3
1018A21.7Very low22.8Very low98 Ų98130.7 Ų130.781%0.8179%0.787SS**  56112.6114.500000119.4
1019G21.1Very low23.4Very low69 Ų69132.7 Ų132.771%0.71179%0.793SS**  123.5128.7124.800000117.9
1020M21.6Very low23.6Very low171 Ų171134 Ų13484%0.84280%0.795SS**  trans83.495.7144.7-62.7-68.8158.500119.6
1021L20.6Very low23.7Very low148 Ų148136.8 Ų136.878%0.77580%0.799SS**  25.1145.1111.1-65.6170.3000120.5
1022N23Very low24Very low160 Ų160135.4 Ų135.486%0.85680%0.797SS**  trans96.4123.8169.1-55.6-32.7000113.4
1023G20.4Very low24Very low81 Ų81136.3 Ų136.384%0.83580%0.802SS**  cis110.7112.126.600000109.1
1024G21.5Very low24.2Very low72 Ų72134.8 Ų134.874%0.74280%0.801SS**  trans109.312715200000118.9
1025N23.5Very low24.4Very low146 Ų146133 Ų13378%0.78180%0.795SS**  trans85.2103.7140.4-71.3-6.3000121.5
1026L23Very low24.7Very low147 Ų147132.6 Ų132.677%0.7779%0.793SS**  54.8111.8107-71.3160.1000118.2
1027C24.7Very low24.8Very low126 Ų126132 Ų13285%0.85179%0.793SS**  trans51.1102.6141.7-61.80000118
1028S26.4Very low24.9Very low118 Ų118129.8 Ų129.883%0.82578%0.781SS**  trans-144.5130.3142.951.90000110.5D1030S1028-D1030 VanDerWaalsContact C-N 3.27Å; S1028-D1030 PolarHBondContact O-N 3.36Å; S1028-D1030 VanDerWaalsContact O-N 3.17Å
1029D32.9Very low25.3Very low164 Ų164133.8 Ų133.888%0.87778%0.78SS**SBendtrans-78.622.6-166.5-97.2-35.2000115
1030D30.2Very low25.6Very low156 Ų156137.1 Ų137.183%0.83478%0.781SS**SBendtrans-120.117.8-167.1-88.5-29.3000116.8S1028S1028-D1030 VanDerWaalsContact C-N 3.27Å; S1028-D1030 PolarHBondContact O-N 3.36Å; S1028-D1030 VanDerWaalsContact O-N 3.17Å
1031Q25.4Very low26Very low166 Ų166132.1 Ų132.178%0.77676%0.762SS**  trans-128.120.2174.1-69-165.5-0.900116N1033Q1031-N1033 VanDerWaalsContact C-N 3.29Å; Q1031-N1033 PolarHBondContact O-N 2.82Å
1032L28.1Very low26.4Very low153 Ų153129 Ų12980%0.80175%0.75SS**THydrogen-bonded Turntrans-83.23173-123.2111.7000114.7
1033N26.6Very low27Very low177 Ų177125.3 Ų125.395%0.94774%0.737SS**THydrogen-bonded Turntrans-98.28.8179.1-89.5-17.4000115.2Q1031Q1031-N1033 VanDerWaalsContact C-N 3.29Å; Q1031-N1033 PolarHBondContact O-N 2.82Å
1034S24.7Very low27.8Very low101 Ų101126 Ų12671%0.70672%0.721SS**SBendtrans-115.76171.562.60000114.4L1036S1034-L1036 PolarHBondContact O-N 3.44Å
1035V29.4Very low29Very low108 Ų108126.2 Ų126.266%0.65570%0.704SS**SBendtrans-76.599.4171.8-178.80000108.1
1036L27.3Very low30.4Very low135 Ų135119.9 Ų119.971%0.70767%0.671SS**  trans31.4103.2151.1-70.8154.4000113.3S1034 I1038S1034-L1036 PolarHBondContact O-N 3.44Å; L1036-I1038 HydrophobicContact CB-CG1 3.87Å; L1036-I1038 PolarHBondContact O-N 3.35Å
1037V25.1Very low32.5Very low127 Ų127113.3 Ų113.377%0.7764%0.637SS**  trans-58.783.2148-178.10000105.9K1039V1037-K1039 HydrophobicContact CG1-CG 3.78Å; V1037-K1039 PolarHBondContact O-N 2.91Å
1038I26.8Very low35Very low102 Ų102108.1 Ų108.152%0.52360%0.602SS.*  trans-65.494.1167-54.4179.3000103.1L1036 N1040L1036-I1038 HydrophobicContact CB-CG1 3.87Å; L1036-I1038 PolarHBondContact O-N 3.35Å; I1038-N1040 WeakPolarHBondContact CG2-O 3.32Å; I1038-N1040 PolarHBondContact O-N 3.07Å
1039K29.9Very low37.9Very low182 Ų182102.5 Ų102.579%0.79156%0.563SS**SBendtrans-61.3-8.6-175.8-81.6-172.6175.4177.70112.9V1037V1037-K1039 HydrophobicContact CG1-CG 3.78Å; V1037-K1039 PolarHBondContact O-N 2.91Å
1040N26.9Very low40.4Very low139 Ų13995.4 Ų95.474%0.74352%0.524SS*.SBendtrans-145.9103.3165.3-74.6-41.5000108.8I1038I1038-N1040 WeakPolarHBondContact CG2-O 3.32Å; I1038-N1040 PolarHBondContact O-N 3.07Å
1041P29.1Very low43.2Very low67 Ų6788 Ų8844%0.43549%0.485SS..  trans-54.1136.7169.723.4-31.4000108.4S1043 M1097P1041-S1043 PolarHBondContact O-N 3.47Å; P1041-S1043 VanDerWaalsContact O-N 3.16Å; P1041-M1097 HydrophobicContact CB-CE 4.02Å; P1041-M1097 HydrophobicContact CG-CE 3.96Å
1042P30Very low46.1Very low82 Ų8280.1 Ų80.153%0.53245%0.448SS..  trans-51.8128.917920-30.5000108I1044P1042-I1044 VanDerWaalsContact C-N 3.3Å; P1042-I1044 PolarHBondContact O-N 3.4Å
1043S34.4Very low48.9Very low82 Ų8272.9 Ų72.957%0.57341%0.41SS*.  trans-61.693.2179.538.70000108.5N1001 P1041 I1045N1001-S1043 PolarHBondContact ND2-O 3.18Å; P1041-S1043 PolarHBondContact O-N 3.47Å; P1041-S1043 VanDerWaalsContact O-N 3.16Å; S1043-I1045 PolarHBondContact O-N 2.8Å
1044I39Very low51.6Low96 Ų9667.7 Ų67.749%0.49238%0.38SS..  trans-6998.2168.2-60.1169.8000105.5P1042 P1046P1042-I1044 VanDerWaalsContact C-N 3.3Å; P1042-I1044 PolarHBondContact O-N 3.4Å; I1044-P1046 WeakPolarHBondContact O-CD 3.35Å
1045I46.5Very low54.2Low76 Ų7662.9 Ų62.939%0.3935%0.346SS..PPolyproline II helixtrans-81.9119.8174.5-59.5173000106.6S1043 A1047 Y1108S1043-I1045 PolarHBondContact O-N 2.8Å; I1045-A1047 PolarHBondContact O-N 3.26Å; I1045-Y1108 HydrophobicContact CG2-CD1 4.37Å; I1045-Y1108 HydrophobicContact CG2-CD2 4.47Å; I1045-Y1108 HydrophobicContact CG2-CE1 3.63Å; I1045-Y1108 HydrophobicContact CG2-CE2 3.78Å; I1045-Y1108 VanDerWaalsContact CG2-OH 3.32Å; I1045-Y1108 WeakPolarHBondContact CG2-OH 3.43Å
1046P53Low56.1Low14 Ų1459.6 Ų59.69%0.09133%0.33CS..PPolyproline II helixtrans-61.3126171.7-10.822.8000108.8I1044 T1048 K1105 Y1108I1044-P1046 WeakPolarHBondContact O-CD 3.35Å; P1046-T1048 PolarHBondContact O-N 3.38Å; P1046-K1105 HydrophobicContact CB-CG 4.41Å; P1046-K1105 HydrophobicContact CG-CB 4.1Å; P1046-K1105 HydrophobicContact CG-CD 4.38Å; P1046-K1105 HydrophobicContact CG-CG 3.69Å; P1046-Y1108 HydrophobicContact CG-CD1 3.94Å; P1046-Y1108 WeakPolarHBondContact O-CE1 3.47Å
1047A67.1Low58Low8 Ų857.1 Ų57.17%0.06634%0.338CS..PPolyproline II helixtrans-62.5133167.100000109.3I950 A994 W999 I1045I950-A1047 HydrophobicContact CD1-CB 3.76Å; I950-A1047 HydrophobicContact CG1-CB 4.49Å; A994-A1047 WeakPolarHBondContact CA-O 3.18Å; A994-A1047 HydrophobicContact CB-CB 4.16Å; A994-A1047 VanDerWaalsContact CB-O 3.28Å; A994-A1047 WeakPolarHBondContact CB-O 3.36Å; A994-A1047 PolarHBondContact N-O 3.45Å; W999-A1047 HydrophobicContact CZ2-CB 4.29Å; I1045-A1047 PolarHBondContact O-N 3.26Å
1048T76.9Confident60.1Low18 Ų1854.8 Ų54.811%0.1132%0.32CS..EExtended strand (participates in β ladder)trans-130.7145.5-178.754.70000109.9T991 V992 P1046 Y1108 L1112T991-T1048 HydrophobicContact CG2-CG2 4.15Å; V992-T1048 CarbonylContact O-C 3.54Å; V992-T1048 VanDerWaalsContact O-CA 3.28Å; V992-T1048 WeakPolarHBondContact O-CA 3.43Å; P1046-T1048 PolarHBondContact O-N 3.38Å; T1048-Y1108 HydrophobicContact CG2-CE1 4.24Å; T1048-L1112 HydrophobicContact CG2-CD1 3.84Å; T1048-L1112 WeakPolarHBondContact OG1-CD1 3.46Å
1049C86Confident62.1Low0 Ų051.1 Ų51.10%030%0.302CS..EExtended strand (participates in β ladder)trans-110.9118.7170.8-179.90000108.9A946 V992A946-C1049 HydrophobicContact CB-CB 4.01Å; V992-C1049 PolarHBondContact N-O 2.83Å; V992-C1049 PolarHBondContact O-N 3.18Å
1050Q86.5Confident64.2Low15 Ų1547.2 Ų47.27%0.0729%0.289CS..EExtended strand (participates in β ladder)trans-91.1132.4172.3-60.8-178.7-27.900109.3L944 I945 F1052L944-Q1050 WeakPolarHBondContact CA-O 3.42Å; I945-Q1050 HydrophobicContact CB-CB 4.24Å; I945-Q1050 PolarHBondContact N-O 2.88Å; I945-Q1050 PolarHBondContact O-N 2.99Å; Q1050-F1052 HydrophobicContact CB-CD2 4.47Å; Q1050-F1052 HydrophobicContact CB-CE2 3.8Å
1051I88.6Confident66.3Low0 Ų042 Ų420%026%0.263CS..EExtended strand (participates in β ladder)trans-115121.5-176.3-56.5172.9000106.8I917 R920 I921 L924 V942 L944 S989 G990 V992I917-I1051 HydrophobicContact CB-CD1 4.28Å; I917-I1051 HydrophobicContact CG1-CD1 4.39Å; I917-I1051 HydrophobicContact CG2-CD1 3.88Å; R920-I1051 HydrophobicContact CB-CD1 3.8Å; R920-I1051 HydrophobicContact CG-CD1 3.86Å; I921-I1051 HydrophobicContact CD1-CG2 4.41Å; I921-I1051 HydrophobicContact CG1-CD1 4.19Å; I921-I1051 HydrophobicContact CG1-CG2 3.74Å; L924-I1051 HydrophobicContact CD1-CG2 4.3Å; V942-I1051 HydrophobicContact CG1-CG2 3.73Å; L944-I1051 HydrophobicContact CD2-CB 4.34Å; L944-I1051 HydrophobicContact CD2-CG1 3.85Å; L944-I1051 HydrophobicContact CD2-CG2 4.23Å; S989-I1051 CarbonylContact C-O 3.57Å; S989-I1051 WeakPolarHBondContact CA-O 3.18Å; G990-I1051 PolarHBondContact N-O 3.08Å; G990-I1051 PolarHBondContact O-N 3.21Å; V992-I1051 HydrophobicContact CG2-CD1 3.76Å
1052F86.5Confident68.3Low1 Ų141.4 Ų41.40%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-111.7111.1174.3-68-96.5000108.7V942 L943 I945 T984 C987 V988 Q1050V942-F1052 CarbonylContact C-O 3.55Å; V942-F1052 VanDerWaalsContact CA-O 3.27Å; V942-F1052 WeakPolarHBondContact CA-O 3.33Å; L943-F1052 HydrophobicContact CB-CB 4.18Å; L943-F1052 HydrophobicContact CD1-CB 4.19Å; L943-F1052 PolarHBondContact N-O 3.09Å; L943-F1052 PolarHBondContact O-N 3.34Å; I945-F1052 HydrophobicContact CD1-CD2 3.87Å; I945-F1052 HydrophobicContact CD1-CE2 3.42Å; I945-F1052 VanDerWaalsContact CD1-CE2 3.42Å; I945-F1052 HydrophobicContact CD1-CZ 4.22Å; I945-F1052 HydrophobicContact CG1-CD2 4.07Å; I945-F1052 HydrophobicContact CG1-CE2 3.93Å; T984-F1052 HydrophobicContact CG2-CD1 3.57Å; T984-F1052 HydrophobicContact CG2-CD2 4.33Å; T984-F1052 HydrophobicContact CG2-CE1 3.5Å; T984-F1052 HydrophobicContact CG2-CE2 4.29Å; T984-F1052 HydrophobicContact CG2-CG 3.99Å; T984-F1052 HydrophobicContact CG2-CZ 3.88Å; C987-F1052 HydrophobicContact CB-CB 3.91Å; C987-F1052 HydrophobicContact CB-CD1 4.21Å; V988-F1052 CarbonylContact O-C 3.59Å; V988-F1052 WeakPolarHBondContact O-CA 3.4Å; Q1050-F1052 HydrophobicContact CB-CD2 4.47Å; Q1050-F1052 HydrophobicContact CB-CE2 3.8Å
1053L85.9Confident70.4Confident0 Ų041.5 Ų41.50%026%0.262CS..EExtended strand (participates in β ladder)trans-97.6117.2178.5175.472.9000108.6L924 L925 L940 V942 C987 V988 V1055L924-L1053 HydrophobicContact CB-CD2 4.03Å; L924-L1053 HydrophobicContact CD1-CB 4.44Å; L925-L1053 HydrophobicContact CD2-CD1 4.48Å; L925-L1053 HydrophobicContact CD2-CD2 3.84Å; L925-L1053 HydrophobicContact CG-CD2 4.28Å; L940-L1053 HydrophobicContact CB-CD1 3.64Å; L940-L1053 HydrophobicContact CD1-CD1 4.18Å; V942-L1053 HydrophobicContact CG2-CB 4.44Å; V942-L1053 HydrophobicContact CG2-CD1 3.47Å; V942-L1053 VanDerWaalsContact CG2-CD1 3.47Å; C987-L1053 CarbonylContact C-O 3.56Å; C987-L1053 WeakPolarHBondContact CA-O 3.24Å; V988-L1053 HydrophobicContact CG2-CB 3.93Å; V988-L1053 HydrophobicContact CG2-CD2 4.12Å; V988-L1053 HydrophobicContact CG2-CG 4.36Å; V988-L1053 PolarHBondContact N-O 2.7Å; V988-L1053 PolarHBondContact O-N 3.44Å; L1053-V1055 HydrophobicContact CD2-CG1 3.95Å; L1053-V1055 HydrophobicContact CG-CG1 3.92Å; L1053-V1055 PolarHBondContact O-N 2.93Å
1054H84.3Confident72.3Confident68 Ų6838.6 Ų38.632%0.31524%0.239SC..EExtended strand (participates in β ladder)trans-71.9119.6178.4-169.4-81.8000110.5N941 S985N941-H1054 HydrophobicContact CB-CB 4.11Å; N941-H1054 WeakPolarHBondContact O-CB 3.45Å; N941-H1054 PolarHBondContact O-N 3.2Å; S985-H1054 PolarHBondContact O-CD2 3.07Å
1055V78.9Confident74.1Confident0 Ų035.4 Ų35.40%022%0.222CC..  trans-129.85.7-174.7-66.10000113.4I930 G986 V988 L1053 G1057 L1058 I1059I930-V1055 HydrophobicContact CD1-CG1 3.89Å; G986-V1055 PolarHBondContact O-N 3.29Å; V988-V1055 HydrophobicContact CB-CG2 4.36Å; V988-V1055 HydrophobicContact CG1-CG2 3.71Å; V988-V1055 HydrophobicContact CG2-CG1 3.87Å; V988-V1055 HydrophobicContact CG2-CG2 4.09Å; L1053-V1055 HydrophobicContact CD2-CG1 3.95Å; L1053-V1055 HydrophobicContact CG-CG1 3.92Å; L1053-V1055 PolarHBondContact O-N 2.93Å; V1055-G1057 PolarHBondContact O-N 3.18Å; V1055-L1058 PolarHBondContact O-N 3.27Å; V1055-I1059 HydrophobicContact CB-CD1 4.43Å; V1055-I1059 HydrophobicContact CB-CG1 4.37Å; V1055-I1059 HydrophobicContact CB-CG2 3.97Å; V1055-I1059 HydrophobicContact CG2-CD1 3.62Å; V1055-I1059 HydrophobicContact CG2-CG1 4.05Å; V1055-I1059 HydrophobicContact CG2-CG2 4.28Å
1056A69.3Low75.6Confident39 Ų3938.5 Ų38.532%0.32223%0.233SC..THydrogen-bonded Turntrans-52.5129.2179.200000111.2G986 L1058 M1127G986-A1056 PolarHBondContact O-N 3Å; G986-A1056 VanDerWaalsContact O-N 3.11Å; A1056-L1058 VanDerWaalsContact C-N 3.35Å; A1056-L1058 PolarHBondContact O-N 3.4Å; A1056-M1127 HydrophobicContact CB-SD 3.98Å
1057G66.9Low76.9Confident84 Ų8443 Ų4387%0.86625%0.248SC*.THydrogen-bonded Turntrans83.4-7.8-177.100000116.2V1055V1055-G1057 PolarHBondContact O-N 3.18Å
1058L68.7Low77.5Confident77 Ų7742.8 Ų42.840%0.40325%0.247SC..THydrogen-bonded Turntrans-110.7-5.4-175.1-63175.5000114.6L934 L940 V1055 A1056L934-L1058 HydrophobicContact CD2-CD2 4.24Å; L940-L1058 HydrophobicContact CD1-CD1 4.49Å; L940-L1058 HydrophobicContact CD2-CD1 3.36Å; V1055-L1058 PolarHBondContact O-N 3.27Å; A1056-L1058 VanDerWaalsContact C-N 3.35Å; A1056-L1058 PolarHBondContact O-N 3.4Å
1059I70Confident77.7Confident26 Ų2646.6 Ų46.613%0.13326%0.263CS..SBendtrans-125.2151.1-173.957.9160000111.7C928 V1055 V1061 E1064 L1124C928-I1059 HydrophobicContact CB-CG2 3.97Å; V1055-I1059 HydrophobicContact CB-CD1 4.43Å; V1055-I1059 HydrophobicContact CB-CG1 4.37Å; V1055-I1059 HydrophobicContact CB-CG2 3.97Å; V1055-I1059 HydrophobicContact CG2-CD1 3.62Å; V1055-I1059 HydrophobicContact CG2-CG1 4.05Å; V1055-I1059 HydrophobicContact CG2-CG2 4.28Å; I1059-V1061 PolarHBondContact O-N 3.23Å; I1059-E1064 HydrophobicContact CD1-CB 4.11Å; I1059-E1064 HydrophobicContact CD1-CG 4.15Å; I1059-L1124 HydrophobicContact CD1-CD2 3.89Å
1060D73.6Confident77.6Confident99 Ų9950.7 Ų50.753%0.52929%0.285SS..  trans-73.6103164.3-177.1-28000108.7A1062 V1063 E1064D1060-A1062 PolarHBondContact O-N 3.04Å; D1060-A1062 WeakPolarHBondContact OD1-CB 3.15Å; D1060-A1062 PolarHBondContact OD1-N 2.97Å; D1060-V1063 HydrophobicContact CB-CB 4.05Å; D1060-V1063 HydrophobicContact CB-CG2 4.08Å; D1060-V1063 PolarHBondContact O-N 2.89Å; D1060-V1063 PolarHBondContact OD1-N 3.4Å; D1060-V1063 VanDerWaalsContact OD1-N 3.1Å; D1060-V1063 VanDerWaalsContact OD2-CG2 3.31Å; D1060-V1063 WeakPolarHBondContact OD2-CG2 3.37Å; D1060-E1064 PolarHBondContact O-N 3.13Å
1061V70.6Confident77.5Confident30 Ų3054.4 Ų54.418%0.18230%0.298CS..Hα-helixtrans-56.3-37.1-178.8179.60000111.2I1059 Q1065 L1124 K1128I1059-V1061 PolarHBondContact O-N 3.23Å; V1061-Q1065 HydrophobicContact CG1-CG 4.23Å; V1061-Q1065 VanDerWaalsContact O-CB 3.23Å; V1061-Q1065 WeakPolarHBondContact O-CB 3.26Å; V1061-Q1065 WeakPolarHBondContact O-CG 3.42Å; V1061-Q1065 PolarHBondContact O-N 2.84Å; V1061-L1124 HydrophobicContact CG1-CB 4.34Å; V1061-L1124 HydrophobicContact CG1-CD2 4.06Å; V1061-L1124 WeakPolarHBondContact CG1-O 3.41Å; V1061-K1128 HydrophobicContact CG1-CB 4.5Å
1062A72Confident77.3Confident54 Ų5454.8 Ų54.845%0.44630%0.301SS..Hα-helixtrans-71.8-41.2-177.500000112D1060 K1066D1060-A1062 PolarHBondContact O-N 3.04Å; D1060-A1062 WeakPolarHBondContact OD1-CB 3.15Å; D1060-A1062 PolarHBondContact OD1-N 2.97Å; A1062-K1066 PolarHBondContact O-N 3.31Å; A1062-K1066 VanDerWaalsContact O-N 3.08Å
1063V74.9Confident77.4Confident84 Ų8458.1 Ų58.151%0.50932%0.321SS..Hα-helixtrans-65.2-44.2175.8172.70000110.8D1060 K1066 R1067D1060-V1063 HydrophobicContact CB-CB 4.05Å; D1060-V1063 HydrophobicContact CB-CG2 4.08Å; D1060-V1063 PolarHBondContact O-N 2.89Å; D1060-V1063 PolarHBondContact OD1-N 3.4Å; D1060-V1063 VanDerWaalsContact OD1-N 3.1Å; D1060-V1063 VanDerWaalsContact OD2-CG2 3.31Å; D1060-V1063 WeakPolarHBondContact OD2-CG2 3.37Å; V1063-K1066 PolarHBondContact O-N 3.39Å; V1063-R1067 PolarHBondContact O-N 3.27Å
1064E73.3Confident77.4Confident21 Ų2163.1 Ų63.110%0.09834%0.344CS..Hα-helixtrans-72.7-35-179-164.158.7-155.400112.1V988 I1059 D1060 R1067 C1068 L1124V988-E1064 HydrophobicContact CG1-CG 4.3Å; I1059-E1064 HydrophobicContact CD1-CB 4.11Å; I1059-E1064 HydrophobicContact CD1-CG 4.15Å; D1060-E1064 PolarHBondContact O-N 3.13Å; E1064-R1067 PolarHBondContact O-N 3.2Å; E1064-R1067 WeakPolarHBondContact OE2-CD 3.36Å; E1064-R1067 IonicContact OE2-NH1 2.71Å; E1064-C1068 WeakPolarHBondContact O-CB 3.19Å; E1064-C1068 PolarHBondContact O-N 3.15Å; E1064-C1068 PolarHBondContact O-SG 3.25Å; E1064-L1124 HydrophobicContact CG-CD1 4.3Å
1065Q76Confident77.5Confident29 Ų2959.9 Ų59.914%0.13633%0.329CS..Hα-helixtrans-57.7-50.3169.9-84.7-177.5-16.300111.4V1061 R1067 C1068 Q1069 L1124 N1125V1061-Q1065 HydrophobicContact CG1-CG 4.23Å; V1061-Q1065 VanDerWaalsContact O-CB 3.23Å; V1061-Q1065 WeakPolarHBondContact O-CB 3.26Å; V1061-Q1065 WeakPolarHBondContact O-CG 3.42Å; V1061-Q1065 PolarHBondContact O-N 2.84Å; Q1065-R1067 VanDerWaalsContact C-N 3.3Å; Q1065-R1067 PolarHBondContact O-N 3.39Å; Q1065-C1068 PolarHBondContact O-N 3.48Å; Q1065-Q1069 WeakPolarHBondContact O-CB 3.28Å; Q1065-Q1069 PolarHBondContact O-N 3.14Å; Q1065-L1124 HydrophobicContact CG-CB 3.7Å; Q1065-L1124 HydrophobicContact CG-CD1 4.1Å; Q1065-L1124 HydrophobicContact CG-CG 4.43Å; Q1065-L1124 PolarHBondContact NE2-O 3.21Å; Q1065-N1125 PolarHBondContact NE2-OD1 3.1Å
1066K79.7Confident78Confident141 Ų14164.7 Ų64.761%0.61335%0.35SS*.Hα-helixtrans-57.8-46.5178.9-178.6178.5178-179.60110.8A1062 V1063 C1068 Q1069 D1070A1062-K1066 PolarHBondContact O-N 3.31Å; A1062-K1066 VanDerWaalsContact O-N 3.08Å; V1063-K1066 PolarHBondContact O-N 3.39Å; K1066-C1068 PolarHBondContact O-N 2.9Å; K1066-Q1069 PolarHBondContact O-N 3.08Å; K1066-D1070 WeakPolarHBondContact O-CB 3.47Å; K1066-D1070 VanDerWaalsContact O-CG 3.24Å; K1066-D1070 PolarHBondContact O-N 2.82Å
1067R78.6Confident79Confident108 Ų10867.4 Ų67.441%0.40836%0.359SS..Hα-helixtrans-61.3-44.6177.6-174-165.4-174.7159.55.5112.7A927 V1063 E1064 Q1065 Q1069 D1070 R1071A927-R1067 PolarHBondContact O-NH1 3.32Å; V1063-R1067 PolarHBondContact O-N 3.27Å; E1064-R1067 PolarHBondContact O-N 3.2Å; E1064-R1067 WeakPolarHBondContact OE2-CD 3.36Å; E1064-R1067 IonicContact OE2-NH1 2.71Å; Q1065-R1067 VanDerWaalsContact C-N 3.3Å; Q1065-R1067 PolarHBondContact O-N 3.39Å; R1067-Q1069 VanDerWaalsContact C-N 3.31Å; R1067-D1070 PolarHBondContact O-N 2.88Å; R1067-R1071 VanDerWaalsContact O-CB 3.3Å; R1067-R1071 WeakPolarHBondContact O-CB 3.35Å; R1067-R1071 PolarHBondContact O-N 3.17Å
1068C79.6Confident80Confident5 Ų566 Ų663%0.03434%0.336CS..Hα-helixtrans-63.7-40.1176.8-690000110.9E1064 Q1065 K1066 R1071 L1072 L1117 I1121E1064-C1068 WeakPolarHBondContact O-CB 3.19Å; E1064-C1068 PolarHBondContact O-N 3.15Å; E1064-C1068 PolarHBondContact O-SG 3.25Å; Q1065-C1068 PolarHBondContact O-N 3.48Å; K1066-C1068 PolarHBondContact O-N 2.9Å; C1068-R1071 PolarHBondContact O-N 2.88Å; C1068-L1072 VanDerWaalsContact O-CB 3.22Å; C1068-L1072 WeakPolarHBondContact O-CB 3.48Å; C1068-L1072 PolarHBondContact O-N 3.16Å; C1068-L1117 HydrophobicContact CB-CD1 3.81Å; C1068-L1117 HydrophobicContact CB-CG 4.37Å; C1068-L1117 WeakPolarHBondContact O-CD2 3.34Å; C1068-I1121 HydrophobicContact CB-CD1 3.91Å; C1068-I1121 HydrophobicContact CB-CG1 3.51Å
1069Q82.7Confident81Confident97 Ų9762.8 Ų62.845%0.45332%0.319SS..Hα-helixtrans-65.2-45.8177.2-166.967.915.100111.8Q1065 K1066 R1067 R1071 L1072 V1073Q1065-Q1069 WeakPolarHBondContact O-CB 3.28Å; Q1065-Q1069 PolarHBondContact O-N 3.14Å; K1066-Q1069 PolarHBondContact O-N 3.08Å; R1067-Q1069 VanDerWaalsContact C-N 3.31Å; Q1069-R1071 VanDerWaalsContact C-N 3.34Å; Q1069-R1071 PolarHBondContact O-N 3.31Å; Q1069-L1072 WeakPolarHBondContact O-CB 3.43Å; Q1069-L1072 PolarHBondContact O-N 2.87Å; Q1069-V1073 WeakPolarHBondContact O-CG2 3.21Å; Q1069-V1073 PolarHBondContact O-N 3.4Å
1070D84.2Confident82Confident87 Ų8765.9 Ų65.947%0.46533%0.333SS..Hα-helixtrans-59.8-45.6176.1-69.1-18.4000110.4K1066 R1067 L1072 V1073 E1074K1066-D1070 WeakPolarHBondContact O-CB 3.47Å; K1066-D1070 VanDerWaalsContact O-CG 3.24Å; K1066-D1070 PolarHBondContact O-N 2.82Å; R1067-D1070 PolarHBondContact O-N 2.88Å; D1070-L1072 VanDerWaalsContact C-N 3.33Å; D1070-L1072 PolarHBondContact O-N 2.95Å; D1070-V1073 PolarHBondContact O-N 3.07Å; D1070-E1074 PolarHBondContact O-N 2.75Å; D1070-E1074 VanDerWaalsContact O-N 3.1Å
1071R82.5Confident82.7Confident92 Ų9265 Ų6535%0.34734%0.335SS..Hα-helixtrans-65.4-34.8177.1-177.858.7179.91645.4112.7R1067 C1068 Q1069 E1074 L1075 E1113 L1117R1067-R1071 VanDerWaalsContact O-CB 3.3Å; R1067-R1071 WeakPolarHBondContact O-CB 3.35Å; R1067-R1071 PolarHBondContact O-N 3.17Å; C1068-R1071 PolarHBondContact O-N 2.88Å; Q1069-R1071 VanDerWaalsContact C-N 3.34Å; Q1069-R1071 PolarHBondContact O-N 3.31Å; R1071-E1074 IonicContact NH1-OE2 3.26Å; R1071-E1074 PolarHBondContact NH1-OE2 2.91Å; R1071-E1074 PolarHBondContact O-N 3.39Å; R1071-L1075 HydrophobicContact CG-CD1 3.96Å; R1071-L1075 WeakPolarHBondContact O-CB 3.32Å; R1071-L1075 WeakPolarHBondContact O-CD1 3.37Å; R1071-L1075 PolarHBondContact O-N 3.41Å; R1071-E1113 IonicContact CZ-OE1 3.55Å; R1071-E1113 IonicContact NE-OE1 3.76Å; R1071-E1113 PolarHBondContact NE-OE1 3.36Å; R1071-E1113 VanDerWaalsContact NE-OE1 3.07Å; R1071-E1113 IonicContact NH2-OE1 3.59Å; R1071-E1113 PolarHBondContact NH2-OE1 2.97Å; R1071-E1113 IonicContact NH2-OE2 3.27Å; R1071-E1113 PolarHBondContact NH2-OE2 2.88Å; R1071-L1117 HydrophobicContact CB-CD2 3.87Å; R1071-L1117 HydrophobicContact CG-CD2 3.71Å
1072L85.8Confident83.5Confident9 Ų964.4 Ų64.45%0.04733%0.33CS..Hα-helixtrans-66.5-38.7177-175.3153.5000111.2C1068 Q1069 D1070 L1075 K1076 L1117 K1118 I1121C1068-L1072 VanDerWaalsContact O-CB 3.22Å; C1068-L1072 WeakPolarHBondContact O-CB 3.48Å; C1068-L1072 PolarHBondContact O-N 3.16Å; Q1069-L1072 WeakPolarHBondContact O-CB 3.43Å; Q1069-L1072 PolarHBondContact O-N 2.87Å; D1070-L1072 VanDerWaalsContact C-N 3.33Å; D1070-L1072 PolarHBondContact O-N 2.95Å; L1072-L1075 PolarHBondContact O-N 2.72Å; L1072-K1076 HydrophobicContact CD2-CD 3.73Å; L1072-K1076 HydrophobicContact CD2-CG 4.32Å; L1072-K1076 WeakPolarHBondContact O-CG 3.27Å; L1072-K1076 PolarHBondContact O-N 2.71Å; L1072-L1117 HydrophobicContact CB-CD2 3.75Å; L1072-L1117 HydrophobicContact CB-CG 4.47Å; L1072-K1118 HydrophobicContact CD1-CG 3.78Å; L1072-I1121 HydrophobicContact CB-CD1 4.19Å; L1072-I1121 HydrophobicContact CD1-CD1 3.43Å; L1072-I1121 VanDerWaalsContact CD1-CD1 3.43Å; L1072-I1121 HydrophobicContact CG-CD1 4.45Å
1073V87.3Confident84.3Confident71 Ų7165.2 Ų65.243%0.4333%0.325SS..Hα-helixtrans-62.5-49.8172.3174.80000110.2Q1069 D1070 L1075 K1076 D1077Q1069-V1073 WeakPolarHBondContact O-CG2 3.21Å; Q1069-V1073 PolarHBondContact O-N 3.4Å; D1070-V1073 PolarHBondContact O-N 3.07Å; V1073-L1075 VanDerWaalsContact C-N 3.3Å; V1073-L1075 PolarHBondContact O-N 3.02Å; V1073-K1076 PolarHBondContact O-N 3.06Å; V1073-D1077 PolarHBondContact O-N 3.31Å
1074E86.5Confident84.9Confident104 Ų10467.1 Ų67.149%0.48633%0.327SS..Hα-helixtrans-57.7-40.5177.4-69.4-179.1172.800113.4D1070 R1071 S1078D1070-E1074 PolarHBondContact O-N 2.75Å; D1070-E1074 VanDerWaalsContact O-N 3.1Å; R1071-E1074 IonicContact NH1-OE2 3.26Å; R1071-E1074 PolarHBondContact NH1-OE2 2.91Å; R1071-E1074 PolarHBondContact O-N 3.39Å; E1074-S1078 VanDerWaalsContact O-CB 3.29Å; E1074-S1078 WeakPolarHBondContact O-CB 3.36Å; E1074-S1078 PolarHBondContact O-N 2.97Å; E1074-S1078 PolarHBondContact O-OG 3.31Å
1075L87Confident85.5Confident0 Ų070.7 Ų70.70%034%0.342CS..Hα-helixtrans-65.7-46.8178.1-88.5155.4000111.4R1071 L1072 V1073 S1078 I1079 L1110 E1113 L1114 L1117R1071-L1075 HydrophobicContact CG-CD1 3.96Å; R1071-L1075 WeakPolarHBondContact O-CB 3.32Å; R1071-L1075 WeakPolarHBondContact O-CD1 3.37Å; R1071-L1075 PolarHBondContact O-N 3.41Å; L1072-L1075 PolarHBondContact O-N 2.72Å; V1073-L1075 VanDerWaalsContact C-N 3.3Å; V1073-L1075 PolarHBondContact O-N 3.02Å; L1075-S1078 PolarHBondContact O-N 2.88Å; L1075-I1079 WeakPolarHBondContact O-CB 3.38Å; L1075-I1079 WeakPolarHBondContact O-CD1 3.48Å; L1075-I1079 VanDerWaalsContact O-CG1 3.3Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.29Å; L1075-I1079 PolarHBondContact O-N 3.09Å; L1075-L1110 HydrophobicContact CD2-CB 4.23Å; L1075-L1110 HydrophobicContact CD2-CD2 3.56Å; L1075-E1113 HydrophobicContact CD1-CB 4.47Å; L1075-E1113 HydrophobicContact CD1-CG 3.87Å; L1075-E1113 HydrophobicContact CD2-CB 4.07Å; L1075-E1113 HydrophobicContact CD2-CG 4.12Å; L1075-L1114 HydrophobicContact CB-CD1 4.45Å; L1075-L1117 HydrophobicContact CD1-CD2 3.63Å
1076K89.6Confident85.9Confident101 Ų10173.4 Ų73.444%0.43935%0.351SS..Hα-helixtrans-59.4-47.1176.2-78.1180176.9173.70111.4L1072 V1073 S1078 I1079 E1080 L1114L1072-K1076 HydrophobicContact CD2-CD 3.73Å; L1072-K1076 HydrophobicContact CD2-CG 4.32Å; L1072-K1076 WeakPolarHBondContact O-CG 3.27Å; L1072-K1076 PolarHBondContact O-N 2.71Å; V1073-K1076 PolarHBondContact O-N 3.06Å; K1076-S1078 VanDerWaalsContact C-N 3.28Å; K1076-S1078 PolarHBondContact O-N 3.29Å; K1076-I1079 PolarHBondContact O-N 3.41Å; K1076-E1080 WeakPolarHBondContact O-CB 3.4Å; K1076-E1080 PolarHBondContact O-N 2.62Å; K1076-L1114 HydrophobicContact CG-CD1 3.63Å
1077D89.5Confident86.2Confident97 Ų9773.8 Ų73.852%0.51936%0.355SS..Hα-helixtrans-61.5-39.6177.8-69.5-8.7000111.3V1073 S1081V1073-D1077 PolarHBondContact O-N 3.31Å; D1077-S1081 WeakPolarHBondContact O-CB 3.33Å; D1077-S1081 PolarHBondContact O-N 2.99Å
1078S88.4Confident86.4Confident55 Ų5574 Ų7439%0.38536%0.36SS..Hα-helixtrans-67.2-42.8177.5-64.50000112.5E1074 L1075 K1076 L1082E1074-S1078 VanDerWaalsContact O-CB 3.29Å; E1074-S1078 WeakPolarHBondContact O-CB 3.36Å; E1074-S1078 PolarHBondContact O-N 2.97Å; E1074-S1078 PolarHBondContact O-OG 3.31Å; L1075-S1078 PolarHBondContact O-N 2.88Å; K1076-S1078 VanDerWaalsContact C-N 3.28Å; K1076-S1078 PolarHBondContact O-N 3.29Å; S1078-L1082 WeakPolarHBondContact O-CB 3.48Å; S1078-L1082 PolarHBondContact O-N 3.39Å
1079I90Very high86.3Confident8 Ų878.9 Ų78.94%0.04139%0.394CS..Hα-helixtrans-65.7-51.1176.9-70.5160.8000109.6L1075 K1076 S1081 L1082 E1083 L1110 L1114L1075-I1079 WeakPolarHBondContact O-CB 3.38Å; L1075-I1079 WeakPolarHBondContact O-CD1 3.48Å; L1075-I1079 VanDerWaalsContact O-CG1 3.3Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.29Å; L1075-I1079 PolarHBondContact O-N 3.09Å; K1076-I1079 PolarHBondContact O-N 3.41Å; I1079-S1081 VanDerWaalsContact C-N 3.3Å; I1079-S1081 PolarHBondContact O-N 3.2Å; I1079-L1082 CarbonylContact O-C 3.32Å; I1079-L1082 PolarHBondContact O-N 2.89Å; I1079-E1083 HydrophobicContact CG2-CG 4.09Å; I1079-E1083 WeakPolarHBondContact O-CB 3.28Å; I1079-E1083 WeakPolarHBondContact O-CG 3.46Å; I1079-E1083 PolarHBondContact O-N 3.12Å; I1079-L1110 HydrophobicContact CD1-CB 3.96Å; I1079-L1110 HydrophobicContact CG1-CB 3.59Å; I1079-L1110 HydrophobicContact CG1-CD1 4.18Å; I1079-L1110 HydrophobicContact CG1-CG 4.49Å; I1079-L1114 HydrophobicContact CD1-CB 3.99Å; I1079-L1114 HydrophobicContact CD1-CD1 3.52Å; I1079-L1114 HydrophobicContact CD1-CG 4.33Å
1080E89.9Confident86.2Confident91 Ų9176 Ų7643%0.42538%0.383SS..Hα-helixtrans-59.8-41.2-179.6-171.4-174.7169.700111.4K1076 E1083 K1084K1076-E1080 WeakPolarHBondContact O-CB 3.4Å; K1076-E1080 PolarHBondContact O-N 2.62Å; E1080-E1083 PolarHBondContact O-N 3.08Å; E1080-K1084 HydrophobicContact CG-CD 4.3Å; E1080-K1084 VanDerWaalsContact O-CB 3.32Å; E1080-K1084 WeakPolarHBondContact O-CB 3.34Å; E1080-K1084 VanDerWaalsContact O-CG 3.29Å; E1080-K1084 WeakPolarHBondContact O-CG 3.18Å; E1080-K1084 PolarHBondContact O-N 3.27Å; E1080-K1084 WeakPolarHBondContact OE1-CE 3.28Å; E1080-K1084 IonicContact OE1-NZ 3.36Å; E1080-K1084 PolarHBondContact OE1-NZ 3.12Å
1081S88.6Confident86.2Confident81 Ų8172.4 Ų72.457%0.56636%0.363SS*.Hα-helixtrans-61.8-43.4174.7-178.90000112.2D1077 I1079 K1085D1077-S1081 WeakPolarHBondContact O-CB 3.33Å; D1077-S1081 PolarHBondContact O-N 2.99Å; I1079-S1081 VanDerWaalsContact C-N 3.3Å; I1079-S1081 PolarHBondContact O-N 3.2Å; S1081-K1085 WeakPolarHBondContact O-CB 3.49Å; S1081-K1085 PolarHBondContact O-N 3.31Å
1082L87.8Confident86Confident17 Ų1772.1 Ų72.19%0.08938%0.376CS..Hα-helixtrans-71.1-39.2179.5-149.3107.7000111.7S1078 I1079 K1085 R1086 D1103 K1106 L1107S1078-L1082 WeakPolarHBondContact O-CB 3.48Å; S1078-L1082 PolarHBondContact O-N 3.39Å; I1079-L1082 CarbonylContact O-C 3.32Å; I1079-L1082 PolarHBondContact O-N 2.89Å; L1082-K1085 PolarHBondContact O-N 3.24Å; L1082-R1086 WeakPolarHBondContact O-CB 3.43Å; L1082-R1086 VanDerWaalsContact O-CG 3.29Å; L1082-R1086 WeakPolarHBondContact O-CG 3.46Å; L1082-R1086 PolarHBondContact O-N 2.86Å; L1082-D1103 HydrophobicContact CD2-CB 4.17Å; L1082-D1103 WeakPolarHBondContact CD2-O 3.47Å; L1082-K1106 HydrophobicContact CD1-CD 4.03Å; L1082-L1107 HydrophobicContact CB-CD1 4.37Å; L1082-L1107 HydrophobicContact CD2-CB 3.73Å; L1082-L1107 HydrophobicContact CD2-CD1 3.74Å; L1082-L1107 HydrophobicContact CD2-CG 4.34Å
1083E89.3Confident85.6Confident72 Ų7279.6 Ų79.634%0.33641%0.41SS..Hα-helixtrans-63.9-48.2174.6-73.1179.8161.600111.4I1079 E1080 K1085 R1086 Q1087 L1107I1079-E1083 HydrophobicContact CG2-CG 4.09Å; I1079-E1083 WeakPolarHBondContact O-CB 3.28Å; I1079-E1083 WeakPolarHBondContact O-CG 3.46Å; I1079-E1083 PolarHBondContact O-N 3.12Å; E1080-E1083 PolarHBondContact O-N 3.08Å; E1083-K1085 VanDerWaalsContact C-N 3.29Å; E1083-K1085 PolarHBondContact O-N 3.02Å; E1083-R1086 CarbonylContact O-C 3.38Å; E1083-R1086 PolarHBondContact O-N 3.35Å; E1083-Q1087 WeakPolarHBondContact O-CB 3.36Å; E1083-Q1087 VanDerWaalsContact O-CG 3.28Å; E1083-Q1087 WeakPolarHBondContact O-CG 3.33Å; E1083-Q1087 PolarHBondContact O-N 3.27Å; E1083-L1107 HydrophobicContact CG-CD1 3.51Å
1084K86.6Confident85.3Confident124 Ų12483.8 Ų83.854%0.53942%0.423SS..Hα-helixtrans-57.6-42.2174.6-78.8177.3-177.1168.10111.9E1080 R1086 Q1087 H1088E1080-K1084 HydrophobicContact CG-CD 4.3Å; E1080-K1084 VanDerWaalsContact O-CB 3.32Å; E1080-K1084 WeakPolarHBondContact O-CB 3.34Å; E1080-K1084 VanDerWaalsContact O-CG 3.29Å; E1080-K1084 WeakPolarHBondContact O-CG 3.18Å; E1080-K1084 PolarHBondContact O-N 3.27Å; E1080-K1084 WeakPolarHBondContact OE1-CE 3.28Å; E1080-K1084 IonicContact OE1-NZ 3.36Å; E1080-K1084 PolarHBondContact OE1-NZ 3.12Å; K1084-R1086 VanDerWaalsContact C-N 3.32Å; K1084-R1086 PolarHBondContact O-N 3.19Å; K1084-Q1087 PolarHBondContact O-N 3.49Å; K1084-H1088 PolarHBondContact O-N 3.31Å
1085K85.7Confident85.2Confident96 Ų9680.1 Ų80.142%0.41741%0.407SS..Hα-helixtrans-61.7-41.4176-174.5-170.4170.8-1450111.3S1081 L1082 E1083 Y1091 D1103S1081-K1085 WeakPolarHBondContact O-CB 3.49Å; S1081-K1085 PolarHBondContact O-N 3.31Å; L1082-K1085 PolarHBondContact O-N 3.24Å; E1083-K1085 VanDerWaalsContact C-N 3.29Å; E1083-K1085 PolarHBondContact O-N 3.02Å; K1085-Y1091 HydrophobicContact CG-CD2 4.33Å; K1085-Y1091 HydrophobicContact CG-CE2 4.29Å; K1085-Y1091 WeakPolarHBondContact O-CD2 3.48Å; K1085-D1103 IonicContact NZ-OD1 2.84Å; K1085-D1103 IonicContact NZ-OD2 2.87Å; K1085-D1103 PolarHBondContact NZ-OD2 2.8Å
1086R84.9Confident84.8Confident85 Ų8584.3 Ų84.332%0.32144%0.435SS..Hα-helixtrans-73.7-30.6178.6-72.2179.870.7-168.31113.7L1082 E1083 K1084 H1088 Y1091 T1104L1082-R1086 WeakPolarHBondContact O-CB 3.43Å; L1082-R1086 VanDerWaalsContact O-CG 3.29Å; L1082-R1086 WeakPolarHBondContact O-CG 3.46Å; L1082-R1086 PolarHBondContact O-N 2.86Å; E1083-R1086 CarbonylContact O-C 3.38Å; E1083-R1086 PolarHBondContact O-N 3.35Å; K1084-R1086 VanDerWaalsContact C-N 3.32Å; K1084-R1086 PolarHBondContact O-N 3.19Å; R1086-H1088 VanDerWaalsContact C-N 3.32Å; R1086-Y1091 HydrophobicContact CB-CD1 4.47Å; R1086-Y1091 HydrophobicContact CB-CE1 4.35Å; R1086-Y1091 HydrophobicContact CG-CE1 3.93Å; R1086-Y1091 HydrophobicContact CG-CE2 4.02Å; R1086-T1104 PolarHBondContact NH2-OG1 3.27Å
1087Q84.8Confident84.1Confident150 Ų15084.4 Ų84.470%0.70144%0.438SS*.Hα-helixtrans-78.6-14.1178.4-74.11742.800113.4E1083 K1084 S1089E1083-Q1087 WeakPolarHBondContact O-CB 3.36Å; E1083-Q1087 VanDerWaalsContact O-CG 3.28Å; E1083-Q1087 WeakPolarHBondContact O-CG 3.33Å; E1083-Q1087 PolarHBondContact O-N 3.27Å; K1084-Q1087 PolarHBondContact O-N 3.49Å; Q1087-S1089 PolarHBondContact O-N 2.94Å
1088H83.7Confident83.3Confident112 Ų11287.5 Ų87.552%0.51945%0.447SS..SBendtrans-58.5129176.6-166.4-80.1000109.8K1084 R1086 T1090 Y1091K1084-H1088 PolarHBondContact O-N 3.31Å; R1086-H1088 VanDerWaalsContact C-N 3.32Å; H1088-T1090 PolarHBondContact CE1-OG1 3.28Å; H1088-T1090 VanDerWaalsContact CE1-OG1 3.27Å; H1088-T1090 PolarHBondContact ND1-N 2.98Å; H1088-T1090 PolarHBondContact ND1-OG1 3.28Å; H1088-T1090 PolarHBondContact O-N 3.07Å; H1088-Y1091 WeakPolarHBondContact O-CB 3.38Å; H1088-Y1091 PolarHBondContact O-N 3.06Å
1089S77.7Confident82.8Confident107 Ų10787 Ų8775%0.74844%0.441SS*.THydrogen-bonded Turntrans-52.9-30.8-172.653.70000114.2Q1087Q1087-S1089 PolarHBondContact O-N 2.94Å
1090T80.9Confident82.2Confident37 Ų3788.4 Ų88.423%0.22745%0.447CS..THydrogen-bonded Turntrans-91.34.5178.769.60000115H1088 E1093 K1094H1088-T1090 PolarHBondContact CE1-OG1 3.28Å; H1088-T1090 VanDerWaalsContact CE1-OG1 3.27Å; H1088-T1090 PolarHBondContact ND1-N 2.98Å; H1088-T1090 PolarHBondContact ND1-OG1 3.28Å; H1088-T1090 PolarHBondContact O-N 3.07Å; T1090-E1093 PolarHBondContact O-N 2.97Å; T1090-K1094 WeakPolarHBondContact O-CB 3.31Å; T1090-K1094 PolarHBondContact O-N 2.67Å
1091Y83.4Confident81.5Confident11 Ų1187.8 Ų87.84%0.04345%0.447CS..Hα-helixtrans-63.1-51.4-173.9176.9-95.1000111.8K1085 R1086 H1088 E1093 K1094 V1095 Q1100 D1103K1085-Y1091 HydrophobicContact CG-CD2 4.33Å; K1085-Y1091 HydrophobicContact CG-CE2 4.29Å; K1085-Y1091 WeakPolarHBondContact O-CD2 3.48Å; R1086-Y1091 HydrophobicContact CB-CD1 4.47Å; R1086-Y1091 HydrophobicContact CB-CE1 4.35Å; R1086-Y1091 HydrophobicContact CG-CE1 3.93Å; R1086-Y1091 HydrophobicContact CG-CE2 4.02Å; H1088-Y1091 WeakPolarHBondContact O-CB 3.38Å; H1088-Y1091 PolarHBondContact O-N 3.06Å; Y1091-E1093 PolarHBondContact O-N 3.11Å; Y1091-K1094 PolarHBondContact O-N 2.82Å; Y1091-V1095 HydrophobicContact CD2-CB 4.25Å; Y1091-V1095 HydrophobicContact CD2-CG2 3.59Å; Y1091-V1095 HydrophobicContact CE2-CB 4.12Å; Y1091-V1095 HydrophobicContact CE2-CG1 4.08Å; Y1091-V1095 HydrophobicContact CE2-CG2 3.74Å; Y1091-V1095 HydrophobicContact CG-CG2 4.25Å; Y1091-V1095 WeakPolarHBondContact O-CB 3.31Å; Y1091-V1095 WeakPolarHBondContact O-CG2 3.38Å; Y1091-V1095 PolarHBondContact O-N 3.12Å; Y1091-Q1100 HydrophobicContact CE1-CB 4.32Å; Y1091-Q1100 HydrophobicContact CE1-CG 3.82Å; Y1091-Q1100 WeakPolarHBondContact OH-CA 3.2Å; Y1091-D1103 VanDerWaalsContact OH-CB 3.23Å; Y1091-D1103 WeakPolarHBondContact OH-CB 3.11Å; Y1091-D1103 PolarHBondContact OH-OD2 3.23Å
1092S78.4Confident80.8Confident87 Ų8788.8 Ų88.861%0.60844%0.444SS*.Hα-helixtrans-61.8-27.9-178-48.60000113Q1100S1092-Q1100 PolarHBondContact O-NE2 3.04Å; S1092-Q1100 VanDerWaalsContact O-NE2 3.13Å
1093E78.1Confident80.6Confident166 Ų16688.7 Ų88.778%0.77644%0.443SS*.Hα-helixtrans-88-40.5179.7-66177.7174.700113.3T1090 Y1091T1090-E1093 PolarHBondContact O-N 2.97Å; Y1091-E1093 PolarHBondContact O-N 3.11Å
1094K81.1Confident80Confident159 Ų15987.9 Ų87.969%0.69144%0.443SS*.Hα-helixtrans-93.9-18.7-171.8-69.7-173.2178.2176.70114.8T1090 Y1091T1090-K1094 WeakPolarHBondContact O-CB 3.31Å; T1090-K1094 PolarHBondContact O-N 2.67Å; Y1091-K1094 PolarHBondContact O-N 2.82Å
1095V83Confident79.4Confident27 Ų2785.2 Ų85.216%0.16443%0.432CS..SBendtrans-99.1126-175.2179.60000109.8Y1091 T1099 Q1100Y1091-V1095 HydrophobicContact CD2-CB 4.25Å; Y1091-V1095 HydrophobicContact CD2-CG2 3.59Å; Y1091-V1095 HydrophobicContact CE2-CB 4.12Å; Y1091-V1095 HydrophobicContact CE2-CG1 4.08Å; Y1091-V1095 HydrophobicContact CE2-CG2 3.74Å; Y1091-V1095 HydrophobicContact CG-CG2 4.25Å; Y1091-V1095 WeakPolarHBondContact O-CB 3.31Å; Y1091-V1095 WeakPolarHBondContact O-CG2 3.38Å; Y1091-V1095 PolarHBondContact O-N 3.12Å; V1095-T1099 HydrophobicContact CG1-CG2 3.61Å; V1095-Q1100 HydrophobicContact CB-CG 4.15Å; V1095-Q1100 HydrophobicContact CG1-CG 3.9Å; V1095-Q1100 PolarHBondContact O-NE2 2.84Å
1096P80.4Confident79.1Confident88 Ų8885.7 Ų85.757%0.57143%0.434SS*.  trans-56.6142.1178.3-25.433.8000112.7K1098 T1099 Q1100P1096-K1098 PolarHBondContact O-N 3.06Å; P1096-K1098 VanDerWaalsContact O-N 3.11Å; P1096-T1099 WeakPolarHBondContact O-CA 3.37Å; P1096-T1099 WeakPolarHBondContact O-CB 3.22Å; P1096-T1099 PolarHBondContact O-N 3Å; P1096-Q1100 PolarHBondContact O-N 3.25Å
1097M73.8Confident78.9Confident103 Ų10382.7 Ų82.751%0.50742%0.424SS..Hα-helixtrans-52.4-38.7-177.2-164.566.3170.900113.2P1041 T1099 Q1100 L1101P1041-M1097 HydrophobicContact CB-CE 4.02Å; P1041-M1097 HydrophobicContact CG-CE 3.96Å; M1097-T1099 VanDerWaalsContact C-N 3.3Å; M1097-T1099 PolarHBondContact O-N 2.89Å; M1097-Q1100 WeakPolarHBondContact O-CB 3.4Å; M1097-Q1100 PolarHBondContact O-N 3.49Å; M1097-Q1100 VanDerWaalsContact O-N 3.13Å; M1097-L1101 WeakPolarHBondContact O-CG 3.37Å; M1097-L1101 PolarHBondContact O-N 3.17Å
1098K73.2Confident78.5Confident162 Ų16279.4 Ų79.470%0.70441%0.406SS*.Hα-helixtrans-58.4-40.2174.1-173.8175.5-177.3172.90112.6P1096 M1102P1096-K1098 PolarHBondContact O-N 3.06Å; P1096-K1098 VanDerWaalsContact O-N 3.11Å; K1098-M1102 HydrophobicContact CG-CE 4.49Å; K1098-M1102 WeakPolarHBondContact O-CG 3.37Å; K1098-M1102 PolarHBondContact O-N 3.38Å
1099T78.6Confident78.1Confident43 Ų4376.5 Ų76.526%0.26439%0.393SS..Hα-helixtrans-72.8-35.3176.3-54.60000111.4V1095 P1096 M1097 M1102 D1103V1095-T1099 HydrophobicContact CG1-CG2 3.61Å; P1096-T1099 WeakPolarHBondContact O-CA 3.37Å; P1096-T1099 WeakPolarHBondContact O-CB 3.22Å; P1096-T1099 PolarHBondContact O-N 3Å; M1097-T1099 VanDerWaalsContact C-N 3.3Å; M1097-T1099 PolarHBondContact O-N 2.89Å; T1099-M1102 PolarHBondContact O-N 3.39Å; T1099-D1103 WeakPolarHBondContact O-CB 3.36Å; T1099-D1103 PolarHBondContact O-N 3.37Å
1100Q76.2Confident78.4Confident38 Ų3872.2 Ų72.218%0.17836%0.361CS..Hα-helixtrans-63.4-41.7173.9-57.8-173.131.400112Y1091 S1092 V1095 P1096 M1097 D1103 T1104Y1091-Q1100 HydrophobicContact CE1-CB 4.32Å; Y1091-Q1100 HydrophobicContact CE1-CG 3.82Å; Y1091-Q1100 WeakPolarHBondContact OH-CA 3.2Å; S1092-Q1100 PolarHBondContact O-NE2 3.04Å; S1092-Q1100 VanDerWaalsContact O-NE2 3.13Å; V1095-Q1100 HydrophobicContact CB-CG 4.15Å; V1095-Q1100 HydrophobicContact CG1-CG 3.9Å; V1095-Q1100 PolarHBondContact O-NE2 2.84Å; P1096-Q1100 PolarHBondContact O-N 3.25Å; M1097-Q1100 WeakPolarHBondContact O-CB 3.4Å; M1097-Q1100 PolarHBondContact O-N 3.49Å; M1097-Q1100 VanDerWaalsContact O-N 3.13Å; Q1100-D1103 PolarHBondContact O-N 3.45Å; Q1100-T1104 WeakPolarHBondContact O-CB 3.47Å; Q1100-T1104 PolarHBondContact O-N 3.14Å; Q1100-T1104 PolarHBondContact O-OG1 2.82Å
1101L74.6Confident78.4Confident78 Ų7872.9 Ų72.941%0.40836%0.363SS..Hα-helixtrans-63.9-44.2174.1-71.6168.5000111.6M1097 T1104 K1105M1097-L1101 WeakPolarHBondContact O-CG 3.37Å; M1097-L1101 PolarHBondContact O-N 3.17Å; L1101-T1104 PolarHBondContact O-N 2.57Å; L1101-K1105 WeakPolarHBondContact O-CB 3.26Å; L1101-K1105 PolarHBondContact O-N 3.15Å
1102M75.6Confident78Confident102 Ų10273.5 Ų73.550%0.50237%0.367SS..Hα-helixtrans-63.6-41.1175.3-74.3-170.5-61.300112.8K1098 T1099 K1106K1098-M1102 HydrophobicContact CG-CE 4.49Å; K1098-M1102 WeakPolarHBondContact O-CG 3.37Å; K1098-M1102 PolarHBondContact O-N 3.38Å; T1099-M1102 PolarHBondContact O-N 3.39Å; M1102-K1106 VanDerWaalsContact O-CB 3.24Å; M1102-K1106 WeakPolarHBondContact O-CB 3.42Å; M1102-K1106 PolarHBondContact O-N 2.98Å
1103D82Confident78Confident15 Ų1571.4 Ų71.48%0.0835%0.348CS..Hα-helixtrans-65.4-40.5176-76.7-11.8000110L1082 K1085 Y1091 T1099 Q1100 K1106 L1107L1082-D1103 HydrophobicContact CD2-CB 4.17Å; L1082-D1103 WeakPolarHBondContact CD2-O 3.47Å; K1085-D1103 IonicContact NZ-OD1 2.84Å; K1085-D1103 IonicContact NZ-OD2 2.87Å; K1085-D1103 PolarHBondContact NZ-OD2 2.8Å; Y1091-D1103 VanDerWaalsContact OH-CB 3.23Å; Y1091-D1103 WeakPolarHBondContact OH-CB 3.11Å; Y1091-D1103 PolarHBondContact OH-OD2 3.23Å; T1099-D1103 WeakPolarHBondContact O-CB 3.36Å; T1099-D1103 PolarHBondContact O-N 3.37Å; Q1100-D1103 PolarHBondContact O-N 3.45Å; D1103-K1106 PolarHBondContact O-N 2.77Å; D1103-L1107 VanDerWaalsContact O-CB 3.32Å; D1103-L1107 WeakPolarHBondContact O-CB 3.33Å; D1103-L1107 PolarHBondContact O-N 3.09Å
1104T78.4Confident78.1Confident56 Ų5664.1 Ų64.134%0.34431%0.314SS..Hα-helixtrans-63.5-46.6176.1-57.20000111.8R1086 Q1100 L1101 L1107 Y1108R1086-T1104 PolarHBondContact NH2-OG1 3.27Å; Q1100-T1104 WeakPolarHBondContact O-CB 3.47Å; Q1100-T1104 PolarHBondContact O-N 3.14Å; Q1100-T1104 PolarHBondContact O-OG1 2.82Å; L1101-T1104 PolarHBondContact O-N 2.57Å; T1104-L1107 PolarHBondContact O-N 2.76Å; T1104-Y1108 PolarHBondContact O-N 3.48Å
1105K72.1Confident77.9Confident68 Ų6861.3 Ų61.330%0.29630%0.303SS..Hα-helixtrans-57.5-50.9173.6169.4174.7-179.5-169.70111.5S993 S995 P1046 L1101 L1107 Y1108 E1109S993-K1105 WeakPolarHBondContact OG-CE 3.17Å; S995-K1105 PolarHBondContact OG-NZ 2.82Å; P1046-K1105 HydrophobicContact CB-CG 4.41Å; P1046-K1105 HydrophobicContact CG-CB 4.1Å; P1046-K1105 HydrophobicContact CG-CD 4.38Å; P1046-K1105 HydrophobicContact CG-CG 3.69Å; L1101-K1105 WeakPolarHBondContact O-CB 3.26Å; L1101-K1105 PolarHBondContact O-N 3.15Å; K1105-L1107 VanDerWaalsContact C-N 3.28Å; K1105-L1107 PolarHBondContact O-N 2.92Å; K1105-Y1108 WeakPolarHBondContact O-CB 3.38Å; K1105-Y1108 PolarHBondContact O-N 3.12Å; K1105-E1109 WeakPolarHBondContact CE-OE1 3.44Å; K1105-E1109 IonicContact NZ-OE1 2.96Å; K1105-E1109 WeakPolarHBondContact O-CG 3.21Å; K1105-E1109 PolarHBondContact O-N 3.35Å
1106K80Confident77.4Confident105 Ų10560.1 Ų60.146%0.45730%0.297SS..Hα-helixtrans-61.5-39.5-179.4-175.1174.7179.9-176.20111.4L1082 M1102 D1103 E1109 L1110L1082-K1106 HydrophobicContact CD1-CD 4.03Å; M1102-K1106 VanDerWaalsContact O-CB 3.24Å; M1102-K1106 WeakPolarHBondContact O-CB 3.42Å; M1102-K1106 PolarHBondContact O-N 2.98Å; D1103-K1106 PolarHBondContact O-N 2.77Å; K1106-E1109 PolarHBondContact O-N 3.1Å; K1106-L1110 HydrophobicContact CG-CD1 3.97Å; K1106-L1110 HydrophobicContact CG-CG 4.3Å; K1106-L1110 WeakPolarHBondContact O-CB 3.47Å; K1106-L1110 WeakPolarHBondContact O-CG 3.45Å; K1106-L1110 PolarHBondContact O-N 3.25Å
1107L81.5Confident77.1Confident23 Ų2356.9 Ų56.912%0.1228%0.275CS..Hα-helixtrans-63.8-42.8176.6-166.7121.9000111.8L1082 E1083 D1103 T1104 K1105 L1110 N1111L1082-L1107 HydrophobicContact CB-CD1 4.37Å; L1082-L1107 HydrophobicContact CD2-CB 3.73Å; L1082-L1107 HydrophobicContact CD2-CD1 3.74Å; L1082-L1107 HydrophobicContact CD2-CG 4.34Å; E1083-L1107 HydrophobicContact CG-CD1 3.51Å; D1103-L1107 VanDerWaalsContact O-CB 3.32Å; D1103-L1107 WeakPolarHBondContact O-CB 3.33Å; D1103-L1107 PolarHBondContact O-N 3.09Å; T1104-L1107 PolarHBondContact O-N 2.76Å; K1105-L1107 VanDerWaalsContact C-N 3.28Å; K1105-L1107 PolarHBondContact O-N 2.92Å; L1107-L1110 PolarHBondContact O-N 2.9Å; L1107-N1111 VanDerWaalsContact CD2-ND2 3.33Å; L1107-N1111 WeakPolarHBondContact CD2-ND2 3.2Å; L1107-N1111 WeakPolarHBondContact O-CB 3.47Å; L1107-N1111 PolarHBondContact O-N 3.24Å; L1107-N1111 PolarHBondContact O-ND2 3.12Å
1108Y76.8Confident77.4Confident80 Ų8057 Ų5731%0.31427%0.272SS..Hα-helixtrans-61.5-47.1175.4-178.1-100000111.8I1045 P1046 T1048 T1104 K1105 L1110 N1111 L1112I1045-Y1108 HydrophobicContact CG2-CD1 4.37Å; I1045-Y1108 HydrophobicContact CG2-CD2 4.47Å; I1045-Y1108 HydrophobicContact CG2-CE1 3.63Å; I1045-Y1108 HydrophobicContact CG2-CE2 3.78Å; I1045-Y1108 VanDerWaalsContact CG2-OH 3.32Å; I1045-Y1108 WeakPolarHBondContact CG2-OH 3.43Å; P1046-Y1108 HydrophobicContact CG-CD1 3.94Å; P1046-Y1108 WeakPolarHBondContact O-CE1 3.47Å; T1048-Y1108 HydrophobicContact CG2-CE1 4.24Å; T1104-Y1108 PolarHBondContact O-N 3.48Å; K1105-Y1108 WeakPolarHBondContact O-CB 3.38Å; K1105-Y1108 PolarHBondContact O-N 3.12Å; Y1108-L1110 PolarHBondContact O-N 2.98Å; Y1108-N1111 PolarHBondContact O-N 2.84Å; Y1108-L1112 HydrophobicContact CD1-CD1 3.81Å; Y1108-L1112 HydrophobicContact CE1-CD1 3.23Å; Y1108-L1112 HydrophobicContact CE1-CG 4.15Å; Y1108-L1112 HydrophobicContact CE2-CD1 4.41Å; Y1108-L1112 PolarHBondContact O-N 2.83Å
1109E74.8Confident77.2Confident52 Ų5251.2 Ų51.224%0.24325%0.248CC..Hα-helixtrans-61.1-44.7177.1-71.5173173.800112.5S993 K1105 K1106 L1112 E1113S993-E1109 WeakPolarHBondContact CB-OE1 3.38Å; S993-E1109 PolarHBondContact OG-OE1 3.47Å; K1105-E1109 WeakPolarHBondContact CE-OE1 3.44Å; K1105-E1109 IonicContact NZ-OE1 2.96Å; K1105-E1109 WeakPolarHBondContact O-CG 3.21Å; K1105-E1109 PolarHBondContact O-N 3.35Å; K1106-E1109 PolarHBondContact O-N 3.1Å; E1109-L1112 PolarHBondContact O-N 3.49Å; E1109-E1113 WeakPolarHBondContact O-CB 3.25Å; E1109-E1113 PolarHBondContact O-N 2.87Å
1110L82.7Confident76.8Confident17 Ų1749.3 Ų49.39%0.08924%0.236CC..Hα-helixtrans-65.2-38.8178-69.4170.4000111.6L1075 I1079 K1106 L1107 Y1108 E1113 L1114L1075-L1110 HydrophobicContact CD2-CB 4.23Å; L1075-L1110 HydrophobicContact CD2-CD2 3.56Å; I1079-L1110 HydrophobicContact CD1-CB 3.96Å; I1079-L1110 HydrophobicContact CG1-CB 3.59Å; I1079-L1110 HydrophobicContact CG1-CD1 4.18Å; I1079-L1110 HydrophobicContact CG1-CG 4.49Å; K1106-L1110 HydrophobicContact CG-CD1 3.97Å; K1106-L1110 HydrophobicContact CG-CG 4.3Å; K1106-L1110 WeakPolarHBondContact O-CB 3.47Å; K1106-L1110 WeakPolarHBondContact O-CG 3.45Å; K1106-L1110 PolarHBondContact O-N 3.25Å; L1107-L1110 PolarHBondContact O-N 2.9Å; Y1108-L1110 PolarHBondContact O-N 2.98Å; L1110-E1113 PolarHBondContact O-N 3.33Å; L1110-L1114 VanDerWaalsContact O-CB 3.23Å; L1110-L1114 WeakPolarHBondContact O-CB 3.18Å; L1110-L1114 PolarHBondContact O-N 2.95Å
1111N81.1Confident76.7Confident50 Ų5048.4 Ų48.427%0.26723%0.232SC..Hα-helixtrans-66.7-42.5177.3-82.6-49.2000112L1107 Y1108 L1114 E1115L1107-N1111 VanDerWaalsContact CD2-ND2 3.33Å; L1107-N1111 WeakPolarHBondContact CD2-ND2 3.2Å; L1107-N1111 WeakPolarHBondContact O-CB 3.47Å; L1107-N1111 PolarHBondContact O-N 3.24Å; L1107-N1111 PolarHBondContact O-ND2 3.12Å; Y1108-N1111 PolarHBondContact O-N 2.84Å; N1111-L1114 PolarHBondContact O-N 3.47Å; N1111-E1115 PolarHBondContact O-N 2.86Å
1112L74.7Confident76.7Confident25 Ų2547.4 Ų47.413%0.13123%0.232CC..Hα-helixtrans-62.5-43.1173.3-77.7175.5000112.2T1048 Y1108 E1109 L1114 E1115 G1116T1048-L1112 HydrophobicContact CG2-CD1 3.84Å; T1048-L1112 WeakPolarHBondContact OG1-CD1 3.46Å; Y1108-L1112 HydrophobicContact CD1-CD1 3.81Å; Y1108-L1112 HydrophobicContact CE1-CD1 3.23Å; Y1108-L1112 HydrophobicContact CE1-CG 4.15Å; Y1108-L1112 HydrophobicContact CE2-CD1 4.41Å; Y1108-L1112 PolarHBondContact O-N 2.83Å; E1109-L1112 PolarHBondContact O-N 3.49Å; L1112-L1114 VanDerWaalsContact C-N 3.32Å; L1112-L1114 PolarHBondContact O-N 2.99Å; L1112-E1115 PolarHBondContact O-N 3.23Å; L1112-G1116 PolarHBondContact O-N 3.46Å
1113E79.1Confident76.4Confident42 Ų4243.5 Ų43.520%0.19621%0.213CC..Hα-helixtrans-62.3-41.3175.1-170.3-178.1163.600110.8R1071 L1075 E1109 L1110 G1116 L1117R1071-E1113 IonicContact CZ-OE1 3.55Å; R1071-E1113 IonicContact NE-OE1 3.76Å; R1071-E1113 PolarHBondContact NE-OE1 3.36Å; R1071-E1113 VanDerWaalsContact NE-OE1 3.07Å; R1071-E1113 IonicContact NH2-OE1 3.59Å; R1071-E1113 PolarHBondContact NH2-OE1 2.97Å; R1071-E1113 IonicContact NH2-OE2 3.27Å; R1071-E1113 PolarHBondContact NH2-OE2 2.88Å; L1075-E1113 HydrophobicContact CD1-CB 4.47Å; L1075-E1113 HydrophobicContact CD1-CG 3.87Å; L1075-E1113 HydrophobicContact CD2-CB 4.07Å; L1075-E1113 HydrophobicContact CD2-CG 4.12Å; E1109-E1113 WeakPolarHBondContact O-CB 3.25Å; E1109-E1113 PolarHBondContact O-N 2.87Å; L1110-E1113 PolarHBondContact O-N 3.33Å; E1113-G1116 PolarHBondContact O-N 3.39Å; E1113-L1117 VanDerWaalsContact O-CB 3.25Å; E1113-L1117 WeakPolarHBondContact O-CB 3.04Å; E1113-L1117 PolarHBondContact O-N 2.69Å
1114L81.3Confident75.9Confident14 Ų1442.8 Ų42.87%0.07321%0.209CC..Hα-helixtrans-65-42178176.9146000112.3L1075 K1076 I1079 L1110 N1111 L1112 L1117 K1118L1075-L1114 HydrophobicContact CB-CD1 4.45Å; K1076-L1114 HydrophobicContact CG-CD1 3.63Å; I1079-L1114 HydrophobicContact CD1-CB 3.99Å; I1079-L1114 HydrophobicContact CD1-CD1 3.52Å; I1079-L1114 HydrophobicContact CD1-CG 4.33Å; L1110-L1114 VanDerWaalsContact O-CB 3.23Å; L1110-L1114 WeakPolarHBondContact O-CB 3.18Å; L1110-L1114 PolarHBondContact O-N 2.95Å; N1111-L1114 PolarHBondContact O-N 3.47Å; L1112-L1114 VanDerWaalsContact C-N 3.32Å; L1112-L1114 PolarHBondContact O-N 2.99Å; L1114-L1117 PolarHBondContact O-N 3.45Å; L1114-K1118 HydrophobicContact CD2-CD 3.92Å; L1114-K1118 WeakPolarHBondContact O-CG 3.4Å; L1114-K1118 PolarHBondContact O-N 2.95Å
1115E76.2Confident75.4Confident99 Ų9943.8 Ų43.846%0.46321%0.212SC..Hα-helixtrans-64.6-45173.7-78.2-170.1179.800112.2R979 N1111 L1112 L1117 K1118 E1119R979-E1115 IonicContact NH1-OE2 3.33Å; R979-E1115 PolarHBondContact NH1-OE2 3.05Å; N1111-E1115 PolarHBondContact O-N 2.86Å; L1112-E1115 PolarHBondContact O-N 3.23Å; E1115-L1117 VanDerWaalsContact C-N 3.3Å; E1115-L1117 PolarHBondContact O-N 2.8Å; E1115-K1118 PolarHBondContact O-N 3.14Å; E1115-E1119 PolarHBondContact O-N 3.35Å
1116G71.7Confident75Confident3 Ų344.3 Ų44.33%0.03122%0.218CC..Hα-helixtrans-62.2-37.417700000112.3S989 L1112 E1113 E1119 V1120S989-G1116 PolarHBondContact OG-O 3.47Å; L1112-G1116 PolarHBondContact O-N 3.46Å; E1113-G1116 PolarHBondContact O-N 3.39Å; G1116-E1119 PolarHBondContact O-N 3.13Å; G1116-V1120 VanDerWaalsContact O-CG2 3.31Å; G1116-V1120 WeakPolarHBondContact O-CG2 3.46Å; G1116-V1120 PolarHBondContact O-N 3.43Å
1117L75.6Confident74Confident20 Ų2040.4 Ų40.411%0.10520%0.202CC..Hα-helixtrans-73.8-37.1179.8-166.866.2000112.8C1068 R1071 L1072 L1075 E1113 L1114 E1115 E1119 V1120 I1121C1068-L1117 HydrophobicContact CB-CD1 3.81Å; C1068-L1117 HydrophobicContact CB-CG 4.37Å; C1068-L1117 WeakPolarHBondContact O-CD2 3.34Å; R1071-L1117 HydrophobicContact CB-CD2 3.87Å; R1071-L1117 HydrophobicContact CG-CD2 3.71Å; L1072-L1117 HydrophobicContact CB-CD2 3.75Å; L1072-L1117 HydrophobicContact CB-CG 4.47Å; L1075-L1117 HydrophobicContact CD1-CD2 3.63Å; E1113-L1117 VanDerWaalsContact O-CB 3.25Å; E1113-L1117 WeakPolarHBondContact O-CB 3.04Å; E1113-L1117 PolarHBondContact O-N 2.69Å; L1114-L1117 PolarHBondContact O-N 3.45Å; E1115-L1117 VanDerWaalsContact C-N 3.3Å; E1115-L1117 PolarHBondContact O-N 2.8Å; L1117-E1119 VanDerWaalsContact C-N 3.29Å; L1117-E1119 PolarHBondContact O-N 2.88Å; L1117-V1120 PolarHBondContact O-N 3.04Å; L1117-I1121 HydrophobicContact CG-CD1 4.4Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.4Å; L1117-I1121 PolarHBondContact O-N 2.97Å
1118K78.4Confident72.5Confident105 Ų10543.9 Ų43.946%0.45722%0.216SC..Hα-helixtrans-59.3-42.3172.5-79.4173.5176.9175.50111.5L1072 L1114 E1115 I1121 S1122L1072-K1118 HydrophobicContact CD1-CG 3.78Å; L1114-K1118 HydrophobicContact CD2-CD 3.92Å; L1114-K1118 WeakPolarHBondContact O-CG 3.4Å; L1114-K1118 PolarHBondContact O-N 2.95Å; E1115-K1118 PolarHBondContact O-N 3.14Å; K1118-I1121 PolarHBondContact O-N 3.05Å; K1118-S1122 PolarHBondContact O-N 3.27Å
1119E69.4Low70.9Confident41 Ų4146.8 Ų46.819%0.19223%0.233CC..Hα-helixtrans-66.3-44.3176.5-173.9-175.8-167.200111.5R979 T984 E1115 G1116 L1117 I1121 S1122 N1123R979-E1119 IonicContact CZ-OE2 2.62Å; R979-E1119 IonicContact NE-OE2 3.37Å; R979-E1119 PolarHBondContact NE-OE2 3.09Å; R979-E1119 IonicContact NH2-OE2 3.43Å; R979-E1119 PolarHBondContact NH2-OE2 2.66Å; T984-E1119 PolarHBondContact OG1-OE1 3.06Å; E1115-E1119 PolarHBondContact O-N 3.35Å; G1116-E1119 PolarHBondContact O-N 3.13Å; L1117-E1119 VanDerWaalsContact C-N 3.29Å; L1117-E1119 PolarHBondContact O-N 2.88Å; E1119-I1121 VanDerWaalsContact C-N 3.29Å; E1119-I1121 PolarHBondContact O-N 3.15Å; E1119-S1122 CarbonylContact O-C 3.35Å; E1119-S1122 WeakPolarHBondContact O-CA 3.39Å; E1119-S1122 VanDerWaalsContact O-CB 3.28Å; E1119-S1122 WeakPolarHBondContact O-CB 3.48Å; E1119-S1122 PolarHBondContact O-N 3.04Å; E1119-N1123 PolarHBondContact O-N 2.83Å
1120V70.2Confident69.4Low2 Ų249.4 Ų49.41%0.01225%0.247CC..Hα-helixtrans-58.2-42.1174.2170.70000111.2V988 S989 G1116 L1117 S1122 N1123 L1124V988-V1120 HydrophobicContact CG1-CG1 4.47Å; S989-V1120 VanDerWaalsContact OG-CG2 3.28Å; S989-V1120 WeakPolarHBondContact OG-CG2 3.29Å; G1116-V1120 VanDerWaalsContact O-CG2 3.31Å; G1116-V1120 WeakPolarHBondContact O-CG2 3.46Å; G1116-V1120 PolarHBondContact O-N 3.43Å; L1117-V1120 PolarHBondContact O-N 3.04Å; V1120-S1122 VanDerWaalsContact C-N 3.33Å; V1120-S1122 PolarHBondContact O-N 3.47Å; V1120-N1123 PolarHBondContact O-N 2.48Å; V1120-L1124 HydrophobicContact CG1-CD1 3.75Å; V1120-L1124 HydrophobicContact CG1-CG 4.23Å; V1120-L1124 WeakPolarHBondContact O-CB 3.27Å; V1120-L1124 WeakPolarHBondContact O-CG 3.38Å; V1120-L1124 PolarHBondContact O-N 3.48Å
1121I75.4Confident67.2Low20 Ų2054.1 Ų54.110%0.10328%0.277CS..Hα-helixtrans-63-40.7175-69.8164.2000111C1068 L1072 L1117 K1118 E1119 L1124 N1125C1068-I1121 HydrophobicContact CB-CD1 3.91Å; C1068-I1121 HydrophobicContact CB-CG1 3.51Å; L1072-I1121 HydrophobicContact CB-CD1 4.19Å; L1072-I1121 HydrophobicContact CD1-CD1 3.43Å; L1072-I1121 VanDerWaalsContact CD1-CD1 3.43Å; L1072-I1121 HydrophobicContact CG-CD1 4.45Å; L1117-I1121 HydrophobicContact CG-CD1 4.4Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.4Å; L1117-I1121 PolarHBondContact O-N 2.97Å; K1118-I1121 PolarHBondContact O-N 3.05Å; E1119-I1121 VanDerWaalsContact C-N 3.29Å; E1119-I1121 PolarHBondContact O-N 3.15Å; I1121-L1124 PolarHBondContact O-N 2.93Å; I1121-N1125 WeakPolarHBondContact O-CB 3.46Å; I1121-N1125 PolarHBondContact O-N 2.87Å; I1121-N1125 PolarHBondContact O-ND2 3.03Å; I1121-N1125 VanDerWaalsContact O-ND2 3.12Å
1122S74.2Confident64.9Low57 Ų5759 Ų5940%0.39930%0.298SS..Hα-helixtrans-59.4-50.5173.2-162.20000111.3K1118 E1119 V1120 L1124 N1125 D1126K1118-S1122 PolarHBondContact O-N 3.27Å; E1119-S1122 CarbonylContact O-C 3.35Å; E1119-S1122 WeakPolarHBondContact O-CA 3.39Å; E1119-S1122 VanDerWaalsContact O-CB 3.28Å; E1119-S1122 WeakPolarHBondContact O-CB 3.48Å; E1119-S1122 PolarHBondContact O-N 3.04Å; V1120-S1122 VanDerWaalsContact C-N 3.33Å; V1120-S1122 PolarHBondContact O-N 3.47Å; S1122-L1124 VanDerWaalsContact C-N 3.31Å; S1122-L1124 PolarHBondContact O-N 2.65Å; S1122-N1125 WeakPolarHBondContact O-CA 3.4Å; S1122-N1125 WeakPolarHBondContact O-CB 3.37Å; S1122-N1125 PolarHBondContact O-N 3.25Å; S1122-D1126 PolarHBondContact O-N 3.17Å
1123N69.6Low63Low19 Ų1965 Ų6510%0.10233%0.33CS..Hα-helixtrans-63.7-35.6179.9-66.9-12.3000112.2T984 E1119 V1120 D1126 M1127T984-N1123 PolarHBondContact O-ND2 3.09Å; T984-N1123 PolarHBondContact OG1-ND2 2.89Å; E1119-N1123 PolarHBondContact O-N 2.83Å; V1120-N1123 PolarHBondContact O-N 2.48Å; N1123-D1126 PolarHBondContact O-N 2.55Å; N1123-M1127 PolarHBondContact O-N 2.94Å
1124L70Confident60.9Low1 Ų167.9 Ų67.91%0.00535%0.347CS..Hα-helixtrans-68-35.4172.3-72.3167000112I1059 V1061 E1064 Q1065 V1120 I1121 S1122 M1127 K1128I1059-L1124 HydrophobicContact CD1-CD2 3.89Å; V1061-L1124 HydrophobicContact CG1-CB 4.34Å; V1061-L1124 HydrophobicContact CG1-CD2 4.06Å; V1061-L1124 WeakPolarHBondContact CG1-O 3.41Å; E1064-L1124 HydrophobicContact CG-CD1 4.3Å; Q1065-L1124 HydrophobicContact CG-CB 3.7Å; Q1065-L1124 HydrophobicContact CG-CD1 4.1Å; Q1065-L1124 HydrophobicContact CG-CG 4.43Å; Q1065-L1124 PolarHBondContact NE2-O 3.21Å; V1120-L1124 HydrophobicContact CG1-CD1 3.75Å; V1120-L1124 HydrophobicContact CG1-CG 4.23Å; V1120-L1124 WeakPolarHBondContact O-CB 3.27Å; V1120-L1124 WeakPolarHBondContact O-CG 3.38Å; V1120-L1124 PolarHBondContact O-N 3.48Å; I1121-L1124 PolarHBondContact O-N 2.93Å; S1122-L1124 VanDerWaalsContact C-N 3.31Å; S1122-L1124 PolarHBondContact O-N 2.65Å; L1124-M1127 HydrophobicContact CD2-CE 3.74Å; L1124-M1127 HydrophobicContact CG-CE 4.27Å; L1124-K1128 PolarHBondContact O-N 3.46Å; L1124-K1128 VanDerWaalsContact O-N 3.11Å
1125N68.4Low58.7Low76 Ų7671.1 Ų71.141%0.40637%0.37SS..Hα-helixtrans-66.6-42.2173.3-70.5-32.3000111.2Q1065 I1121 S1122 M1127 K1128 Q1129Q1065-N1125 PolarHBondContact NE2-OD1 3.1Å; I1121-N1125 WeakPolarHBondContact O-CB 3.46Å; I1121-N1125 PolarHBondContact O-N 2.87Å; I1121-N1125 PolarHBondContact O-ND2 3.03Å; I1121-N1125 VanDerWaalsContact O-ND2 3.12Å; S1122-N1125 WeakPolarHBondContact O-CA 3.4Å; S1122-N1125 WeakPolarHBondContact O-CB 3.37Å; S1122-N1125 PolarHBondContact O-N 3.25Å; N1125-M1127 VanDerWaalsContact C-N 3.34Å; N1125-M1127 PolarHBondContact O-N 3.14Å; N1125-K1128 WeakPolarHBondContact O-CB 3.42Å; N1125-K1128 PolarHBondContact O-N 2.86Å; N1125-K1128 VanDerWaalsContact O-N 3.12Å; N1125-Q1129 PolarHBondContact O-N 3.35Å
1126D63.2Low57.2Low79 Ų7970.1 Ų70.142%0.42238%0.375SS..Hα-helixtrans-62.7-41.5175.9-62.7-20.8000110.9S1122 N1123 K1128 Q1129 I1130S1122-D1126 PolarHBondContact O-N 3.17Å; N1123-D1126 PolarHBondContact O-N 2.55Å; D1126-K1128 VanDerWaalsContact C-N 3.29Å; D1126-K1128 PolarHBondContact O-N 3.4Å; D1126-Q1129 PolarHBondContact O-N 3Å; D1126-I1130 WeakPolarHBondContact O-CG1 3.42Å; D1126-I1130 PolarHBondContact O-N 3.49Å; D1126-I1130 VanDerWaalsContact O-N 3.09Å
1127M60.2Low56.1Low24 Ų2473.5 Ų73.512%0.11839%0.39CS..Hα-helixtrans-59.4-37.4172.6-83.5-173.7-88.100112.7A1056 N1123 L1124 N1125 I1130 V1131A1056-M1127 HydrophobicContact CB-SD 3.98Å; N1123-M1127 PolarHBondContact O-N 2.94Å; L1124-M1127 HydrophobicContact CD2-CE 3.74Å; L1124-M1127 HydrophobicContact CG-CE 4.27Å; N1125-M1127 VanDerWaalsContact C-N 3.34Å; N1125-M1127 PolarHBondContact O-N 3.14Å; M1127-I1130 PolarHBondContact O-N 2.85Å; M1127-V1131 WeakPolarHBondContact O-CG2 3.47Å; M1127-V1131 PolarHBondContact O-N 3.44Å
1128K50.3Low55.2Low95 Ų9575 Ų7541%0.41340%0.401SS..Hα-helixtrans-70.7-34.9177.7-155.4177.9-176178.90112.3V1061 L1124 N1125 D1126 I1130 V1131 E1132V1061-K1128 HydrophobicContact CG1-CB 4.5Å; L1124-K1128 PolarHBondContact O-N 3.46Å; L1124-K1128 VanDerWaalsContact O-N 3.11Å; N1125-K1128 WeakPolarHBondContact O-CB 3.42Å; N1125-K1128 PolarHBondContact O-N 2.86Å; N1125-K1128 VanDerWaalsContact O-N 3.12Å; D1126-K1128 VanDerWaalsContact C-N 3.29Å; D1126-K1128 PolarHBondContact O-N 3.4Å; K1128-I1130 VanDerWaalsContact C-N 3.33Å; K1128-V1131 PolarHBondContact O-N 2.78Å; K1128-E1132 PolarHBondContact O-N 3.14Å
1129Q43Very low54.1Low141 Ų14171.9 Ų71.966%0.65939%0.389SS*.Hα-helixtrans-68.3-31.7174.6-71.8-165.6-2.200112.8N1125 D1126 N1133N1125-Q1129 PolarHBondContact O-N 3.35Å; D1126-Q1129 PolarHBondContact O-N 3Å; Q1129-N1133 PolarHBondContact O-N 2.78Å
1130I42.2Very low53.6Low107 Ų10770 Ų7055%0.54938%0.379SS..Hα-helixtrans-69.2-37.4174-65.7165.9000110.8D1126 M1127 K1128 E1132 N1133 D1134D1126-I1130 WeakPolarHBondContact O-CG1 3.42Å; D1126-I1130 PolarHBondContact O-N 3.49Å; D1126-I1130 VanDerWaalsContact O-N 3.09Å; M1127-I1130 PolarHBondContact O-N 2.85Å; K1128-I1130 VanDerWaalsContact C-N 3.33Å; I1130-E1132 PolarHBondContact O-N 2.89Å; I1130-N1133 PolarHBondContact O-N 3.24Å; I1130-D1134 PolarHBondContact O-N 2.73Å
1131V38Very low53.2Low117 Ų11773.3 Ų73.371%0.70940%0.395SS*.Hα-helixtrans-71.9-27.8179.3176.60000113M1127 K1128M1127-V1131 WeakPolarHBondContact O-CG2 3.47Å; M1127-V1131 PolarHBondContact O-N 3.44Å; K1128-V1131 PolarHBondContact O-N 2.78Å
1132E31.4Very low52.4Low153 Ų15373 Ų7372%0.71539%0.393SS*.Hα-helixtrans-82.7-19.3176.6-78.5-175.5-179.100114K1128 I1130K1128-E1132 PolarHBondContact O-N 3.14Å; I1130-E1132 PolarHBondContact O-N 2.89Å
1133N36Very low51.6Low150 Ų15070.7 Ų70.780%0.80238%0.377SS*.Hα-helixtrans-128.12.6-171.9-95-20.7000117.3Q1129 I1130Q1129-N1133 PolarHBondContact O-N 2.78Å; I1130-N1133 PolarHBondContact O-N 3.24Å
1134D33.3Very low51.3Low102 Ų10270 Ų7055%0.54537%0.373SS..  trans-118.3109.4172.1-139.7-15.4000112.4I1130 S1136I1130-D1134 PolarHBondContact O-N 2.73Å; D1134-S1136 PolarHBondContact O-N 3.07Å
1135S36.5Very low50.9Low82 Ų8272.2 Ų72.257%0.57339%0.385SS*.  trans-73.153167.651.10000110.8M1137S1135-M1137 PolarHBondContact O-N 3.01Å
1136S43.8Very low50.5Low79 Ų7969 Ų6955%0.55237%0.369SS*.  trans-96.165.8176.7690000109.7D1134 T1138D1134-S1136 PolarHBondContact O-N 3.07Å; S1136-T1138 PolarHBondContact O-N 2.89Å
1137M49.7Very low50.3Low73 Ų7367 Ų6736%0.3636%0.358SS..  trans-58136.1165.9-68.2-173.975.100108.7S1135 E1141 I1142 D1145S1135-M1137 PolarHBondContact O-N 3.01Å; M1137-E1141 WeakPolarHBondContact CA-OE2 3.23Å; M1137-E1141 HydrophobicContact CB-CB 4.2Å; M1137-E1141 HydrophobicContact CE-CB 3.82Å; M1137-I1142 HydrophobicContact CB-CD1 4.18Å; M1137-I1142 HydrophobicContact CB-CG1 3.56Å; M1137-I1142 HydrophobicContact SD-CG1 4.38Å; M1137-D1145 HydrophobicContact CE-CB 4.12Å
1138T57.1Low50.4Low52 Ų5266.4 Ų66.432%0.31936%0.356SS..  trans-64.3159.9172.475.10000110S1136 G1140 E1141 I1142S1136-T1138 PolarHBondContact O-N 2.89Å; T1138-G1140 PolarHBondContact O-N 3.2Å; T1138-E1141 PolarHBondContact N-OE2 3.13Å; T1138-E1141 PolarHBondContact O-N 3.43Å; T1138-E1141 VanDerWaalsContact O-N 3.13Å; T1138-E1141 WeakPolarHBondContact OG1-CB 3.33Å; T1138-E1141 VanDerWaalsContact OG1-CG 3.25Å; T1138-E1141 WeakPolarHBondContact OG1-CG 3.42Å; T1138-E1141 PolarHBondContact OG1-N 3Å; T1138-I1142 WeakPolarHBondContact O-CG1 3.41Å; T1138-I1142 PolarHBondContact O-N 3.42Å
1139I54.1Low50.8Low40 Ų4066.4 Ų66.421%0.20536%0.36CS..Hα-helixtrans-62.5-37.6178-64.9167.8000110.1L1143 L1171 W1190 L1215I1139-L1143 HydrophobicContact CG2-CD1 4.01Å; I1139-L1143 WeakPolarHBondContact O-CB 3.28Å; I1139-L1143 WeakPolarHBondContact O-CG 3.34Å; I1139-L1143 PolarHBondContact O-N 2.89Å; I1139-L1143 VanDerWaalsContact O-N 3.14Å; I1139-L1171 HydrophobicContact CB-CD1 3.43Å; I1139-L1171 VanDerWaalsContact CB-CD1 3.43Å; I1139-L1171 HydrophobicContact CD1-CD1 3.75Å; I1139-L1171 HydrophobicContact CD1-CD2 4.25Å; I1139-L1171 HydrophobicContact CG1-CD1 4.15Å; I1139-L1171 HydrophobicContact CG2-CD1 3.32Å; I1139-W1190 HydrophobicContact CG2-CZ2 3.9Å; I1139-L1215 HydrophobicContact CD1-CD1 4.46Å; I1139-L1215 HydrophobicContact CD1-CD2 4.41Å; I1139-L1215 HydrophobicContact CG1-CD1 4.03Å
1140G59.9Low51.5Low0 Ų065.2 Ų65.20%035%0.35CS..Hα-helixtrans-55.2-49.4169.200000112.8T1138 L1143 L1144 D1168T1138-G1140 PolarHBondContact O-N 3.2Å; G1140-L1143 PolarHBondContact O-N 3.33Å; G1140-L1144 VanDerWaalsContact O-CB 3.27Å; G1140-L1144 WeakPolarHBondContact O-CB 3.46Å; G1140-L1144 PolarHBondContact O-N 3Å; G1140-D1168 PolarHBondContact N-OD1 3.06Å; G1140-D1168 VanDerWaalsContact N-OD1 3.07Å
1141E60.5Low52.5Low73 Ų7364.5 Ų64.534%0.34135%0.348SS..Hα-helixtrans-63.5-43.5179.7-74.1172.9162.200112.8M1137 T1138 L1143 L1144 D1145 E1164M1137-E1141 WeakPolarHBondContact CA-OE2 3.23Å; M1137-E1141 HydrophobicContact CB-CB 4.2Å; M1137-E1141 HydrophobicContact CE-CB 3.82Å; T1138-E1141 PolarHBondContact N-OE2 3.13Å; T1138-E1141 PolarHBondContact O-N 3.43Å; T1138-E1141 VanDerWaalsContact O-N 3.13Å; T1138-E1141 WeakPolarHBondContact OG1-CB 3.33Å; T1138-E1141 VanDerWaalsContact OG1-CG 3.25Å; T1138-E1141 WeakPolarHBondContact OG1-CG 3.42Å; T1138-E1141 PolarHBondContact OG1-N 3Å; E1141-L1143 VanDerWaalsContact C-N 3.31Å; E1141-L1143 PolarHBondContact O-N 2.86Å; E1141-L1144 PolarHBondContact O-N 3.44Å; E1141-D1145 WeakPolarHBondContact O-CB 3.3Å; E1141-D1145 PolarHBondContact O-N 2.84Å; E1141-E1164 WeakPolarHBondContact CG-OE1 3.26Å
1142I59.2Low53.7Low12 Ų1265.9 Ų65.96%0.06235%0.351CS..Hα-helixtrans-61.8-42.2177.9-64.3171.6000110.5M1137 T1138 A1146 I1211 Y1212M1137-I1142 HydrophobicContact CB-CD1 4.18Å; M1137-I1142 HydrophobicContact CB-CG1 3.56Å; M1137-I1142 HydrophobicContact SD-CG1 4.38Å; T1138-I1142 WeakPolarHBondContact O-CG1 3.41Å; T1138-I1142 PolarHBondContact O-N 3.42Å; I1142-A1146 WeakPolarHBondContact O-CB 3.37Å; I1142-A1146 PolarHBondContact O-N 3.19Å; I1142-I1211 HydrophobicContact CD1-CG2 3.92Å; I1142-Y1212 HydrophobicContact CG2-CD2 4.11Å
1143L57.9Low55.3Low10 Ų1061.5 Ų61.55%0.05233%0.334CS..Hα-helixtrans-71.2-41.5-179.8-79.1169.2000112.2I1139 G1140 E1141 A1146 L1147 I1167 W1190 I1197 Y1212I1139-L1143 HydrophobicContact CG2-CD1 4.01Å; I1139-L1143 WeakPolarHBondContact O-CB 3.28Å; I1139-L1143 WeakPolarHBondContact O-CG 3.34Å; I1139-L1143 PolarHBondContact O-N 2.89Å; I1139-L1143 VanDerWaalsContact O-N 3.14Å; G1140-L1143 PolarHBondContact O-N 3.33Å; E1141-L1143 VanDerWaalsContact C-N 3.31Å; E1141-L1143 PolarHBondContact O-N 2.86Å; L1143-A1146 PolarHBondContact O-N 3.45Å; L1143-L1147 WeakPolarHBondContact O-CB 2.87Å; L1143-L1147 PolarHBondContact O-N 2.92Å; L1143-I1167 HydrophobicContact CB-CD1 4.4Å; L1143-I1167 HydrophobicContact CD1-CD1 4.37Å; L1143-I1167 HydrophobicContact CD1-CG2 3.87Å; L1143-W1190 HydrophobicContact CD1-CZ2 4.07Å; L1143-I1197 HydrophobicContact CD2-CD1 4.44Å; L1143-Y1212 HydrophobicContact CD1-CE2 4.3Å; L1143-Y1212 HydrophobicContact CD2-CD2 4.47Å; L1143-Y1212 HydrophobicContact CD2-CE2 3.62Å; L1143-Y1212 HydrophobicContact CG-CE2 3.88Å
1144L63.1Low56.4Low5 Ų563.7 Ų63.73%0.02634%0.34CS..Hα-helixtrans-66-42.1177.3-174.662.1000110.9G1140 E1141 L1147 C1148 I1156 L1160 E1164G1140-L1144 VanDerWaalsContact O-CB 3.27Å; G1140-L1144 WeakPolarHBondContact O-CB 3.46Å; G1140-L1144 PolarHBondContact O-N 3Å; E1141-L1144 PolarHBondContact O-N 3.44Å; L1144-L1147 WeakPolarHBondContact O-CB 3.45Å; L1144-L1147 PolarHBondContact O-N 3.18Å; L1144-C1148 WeakPolarHBondContact O-CB 3.33Å; L1144-C1148 PolarHBondContact O-N 3.09Å; L1144-C1148 PolarHBondContact O-SG 3.33Å; L1144-C1148 VanDerWaalsContact O-SG 3.36Å; L1144-I1156 HydrophobicContact CD1-CG2 4.4Å; L1144-I1156 HydrophobicContact CD2-CD1 3.65Å; L1144-I1156 HydrophobicContact CD2-CG1 3.99Å; L1144-I1156 HydrophobicContact CD2-CG2 3.75Å; L1144-I1156 HydrophobicContact CG-CD1 4.2Å; L1144-I1156 HydrophobicContact CG-CG1 4.21Å; L1144-I1156 HydrophobicContact CG-CG2 4.4Å; L1144-L1160 HydrophobicContact CD1-CB 3.84Å; L1144-L1160 HydrophobicContact CD1-CD1 4.19Å; L1144-L1160 HydrophobicContact CD1-CD2 4.39Å; L1144-L1160 HydrophobicContact CD1-CG 4.38Å; L1144-E1164 HydrophobicContact CD2-CB 4.21Å; L1144-E1164 HydrophobicContact CD2-CG 4.49Å
1145D61.1Low57.3Low47 Ų4766.7 Ų66.725%0.25135%0.351SS..Hα-helixtrans-61-44.5172.4-179.462000111.5M1137 E1141 L1147 C1148 N1149 K1208M1137-D1145 HydrophobicContact CE-CB 4.12Å; E1141-D1145 WeakPolarHBondContact O-CB 3.3Å; E1141-D1145 PolarHBondContact O-N 2.84Å; D1145-L1147 VanDerWaalsContact C-N 3.32Å; D1145-L1147 PolarHBondContact O-N 3.26Å; D1145-C1148 PolarHBondContact O-N 2.74Å; D1145-N1149 VanDerWaalsContact O-CB 3.29Å; D1145-N1149 WeakPolarHBondContact O-CB 3.49Å; D1145-N1149 VanDerWaalsContact O-CG 3.27Å; D1145-N1149 PolarHBondContact O-N 3.37Å; D1145-N1149 PolarHBondContact O-ND2 3.18Å; D1145-N1149 PolarHBondContact OD1-ND2 2.68Å; D1145-N1149 PolarHBondContact OD2-ND2 3.4Å; D1145-K1208 IonicContact OD1-NZ 3.91Å; D1145-K1208 IonicContact OD2-NZ 2.64Å; D1145-K1208 PolarHBondContact OD2-NZ 2.82Å
1146A59.3Low58.3Low8 Ų865.9 Ų65.97%0.06634%0.339CS..Hα-helixtrans-63.1-36.4174.900000112.8I1142 L1143 Y1150 I1197 N1201 I1204I1142-A1146 WeakPolarHBondContact O-CB 3.37Å; I1142-A1146 PolarHBondContact O-N 3.19Å; L1143-A1146 PolarHBondContact O-N 3.45Å; A1146-Y1150 WeakPolarHBondContact O-CB 3.45Å; A1146-Y1150 PolarHBondContact O-N 3.38Å; A1146-I1197 HydrophobicContact CB-CG2 3.7Å; A1146-N1201 PolarHBondContact O-ND2 2.92Å; A1146-I1204 HydrophobicContact CB-CD1 4.38Å
1147L60Low58.9Low37 Ų3764.9 Ų64.919%0.19433%0.331CS..Hα-helixtrans-70.3-46.3176.5-16794.1000111.5L1143 L1144 D1145 N1149 Y1150 L1151 L1160 I1197L1143-L1147 WeakPolarHBondContact O-CB 2.87Å; L1143-L1147 PolarHBondContact O-N 2.92Å; L1144-L1147 WeakPolarHBondContact O-CB 3.45Å; L1144-L1147 PolarHBondContact O-N 3.18Å; D1145-L1147 VanDerWaalsContact C-N 3.32Å; D1145-L1147 PolarHBondContact O-N 3.26Å; L1147-N1149 VanDerWaalsContact C-N 3.32Å; L1147-N1149 PolarHBondContact O-N 3.45Å; L1147-Y1150 WeakPolarHBondContact O-CB 3.16Å; L1147-Y1150 PolarHBondContact O-N 2.98Å; L1147-Y1150 VanDerWaalsContact O-N 3.13Å; L1147-L1151 HydrophobicContact CD2-CD1 3.97Å; L1147-L1151 HydrophobicContact CG-CD1 3.97Å; L1147-L1151 HydrophobicContact CG-CG 4.49Å; L1147-L1151 WeakPolarHBondContact O-CB 3.44Å; L1147-L1151 WeakPolarHBondContact O-CG 3.41Å; L1147-L1151 PolarHBondContact O-N 3.31Å; L1147-L1160 HydrophobicContact CD2-CD2 4.1Å; L1147-I1197 HydrophobicContact CD1-CD1 3.8Å; L1147-I1197 HydrophobicContact CD1-CG1 4.28Å
1148C62.3Low59.4Low11 Ų1168.4 Ų68.47%0.07435%0.35CS..Hα-helixtrans-59.9-43175.4-76.70000111.2L1144 D1145 Y1150 L1151 D1152 V1153L1144-C1148 WeakPolarHBondContact O-CB 3.33Å; L1144-C1148 PolarHBondContact O-N 3.09Å; L1144-C1148 PolarHBondContact O-SG 3.33Å; L1144-C1148 VanDerWaalsContact O-SG 3.36Å; D1145-C1148 PolarHBondContact O-N 2.74Å; C1148-Y1150 VanDerWaalsContact C-N 3.34Å; C1148-Y1150 PolarHBondContact O-N 2.55Å; C1148-L1151 PolarHBondContact O-N 3.38Å; C1148-D1152 PolarHBondContact O-N 2.85Å; C1148-V1153 PolarHBondContact O-N 3.25Å
1149N59.3Low59.3Low95 Ų9572.7 Ų72.751%0.50837%0.371SS..Hα-helixtrans-63.8-35.6173.6-77.2-50.3000112.7D1145 L1147D1145-N1149 VanDerWaalsContact O-CB 3.29Å; D1145-N1149 WeakPolarHBondContact O-CB 3.49Å; D1145-N1149 VanDerWaalsContact O-CG 3.27Å; D1145-N1149 PolarHBondContact O-N 3.37Å; D1145-N1149 PolarHBondContact O-ND2 3.18Å; D1145-N1149 PolarHBondContact OD1-ND2 2.68Å; D1145-N1149 PolarHBondContact OD2-ND2 3.4Å; L1147-N1149 VanDerWaalsContact C-N 3.32Å; L1147-N1149 PolarHBondContact O-N 3.45Å
1150Y57.1Low59.4Low116 Ų11672.4 Ų72.446%0.45537%0.37SS..Hα-helixtrans-71.3-41.1175.4174.6-100.8000112.7A1146 L1147 C1148 D1152 M1200A1146-Y1150 WeakPolarHBondContact O-CB 3.45Å; A1146-Y1150 PolarHBondContact O-N 3.38Å; L1147-Y1150 WeakPolarHBondContact O-CB 3.16Å; L1147-Y1150 PolarHBondContact O-N 2.98Å; L1147-Y1150 VanDerWaalsContact O-N 3.13Å; C1148-Y1150 VanDerWaalsContact C-N 3.34Å; C1148-Y1150 PolarHBondContact O-N 2.55Å; Y1150-D1152 VanDerWaalsContact C-N 3.26Å; Y1150-D1152 PolarHBondContact O-N 2.48Å; Y1150-M1200 HydrophobicContact CD2-CB 4.28Å; Y1150-M1200 HydrophobicContact CE2-CB 3.88Å; Y1150-M1200 HydrophobicContact CE2-SD 4.35Å
1151L63.8Low59.4Low93 Ų9377.1 Ų77.149%0.48739%0.391SS..Hα-helixtrans-80.7-5179.8-65.6173.5000113.2L1147 C1148 V1153L1147-L1151 HydrophobicContact CD2-CD1 3.97Å; L1147-L1151 HydrophobicContact CG-CD1 3.97Å; L1147-L1151 HydrophobicContact CG-CG 4.49Å; L1147-L1151 WeakPolarHBondContact O-CB 3.44Å; L1147-L1151 WeakPolarHBondContact O-CG 3.41Å; L1147-L1151 PolarHBondContact O-N 3.31Å; C1148-L1151 PolarHBondContact O-N 3.38Å; L1151-V1153 VanDerWaalsContact C-N 3.29Å; L1151-V1153 HydrophobicContact CB-CG2 3.62Å; L1151-V1153 WeakPolarHBondContact O-CG2 3.21Å; L1151-V1153 PolarHBondContact O-N 2.94Å
1152D61.4Low59.4Low146 Ų14678.6 Ų78.678%0.78140%0.401SS*.THydrogen-bonded Turntrans54.842.2-174.7-15423.2000112.7C1148 Y1150C1148-D1152 PolarHBondContact O-N 2.85Å; Y1150-D1152 VanDerWaalsContact C-N 3.26Å; Y1150-D1152 PolarHBondContact O-N 2.48Å
1153V66.1Low59.2Low61 Ų6180.2 Ų80.237%0.3741%0.409SS..  trans-106.6118.4-178.6-168.20000109.7C1148 L1151 Q1155C1148-V1153 PolarHBondContact O-N 3.25Å; L1151-V1153 VanDerWaalsContact C-N 3.29Å; L1151-V1153 HydrophobicContact CB-CG2 3.62Å; L1151-V1153 WeakPolarHBondContact O-CG2 3.21Å; L1151-V1153 PolarHBondContact O-N 2.94Å; V1153-Q1155 WeakPolarHBondContact CG1-O 3.38Å
1154Q58.4Low59.2Low196 Ų19681.2 Ų81.292%0.91641%0.414SS*.SBendtrans-79.7-15.2-176-67-153.8-14.200115.4
1155Q53.2Low59.2Low165 Ų16583.8 Ų83.877%0.77144%0.436SS*.SBendtrans-130.4134.7174.7-79.3-177.4-11.100108.7V1153 P1157V1153-Q1155 WeakPolarHBondContact CG1-O 3.38Å; Q1155-P1157 WeakPolarHBondContact O-CD 3.48Å
1156I56Low59.1Low64 Ų6487.9 Ų87.933%0.32845%0.452SS..  trans-65.1114.6174.5-64.6160.9000108.5L1144 L1158 L1160 F1161L1144-I1156 HydrophobicContact CD1-CG2 4.4Å; L1144-I1156 HydrophobicContact CD2-CD1 3.65Å; L1144-I1156 HydrophobicContact CD2-CG1 3.99Å; L1144-I1156 HydrophobicContact CD2-CG2 3.75Å; L1144-I1156 HydrophobicContact CG-CD1 4.2Å; L1144-I1156 HydrophobicContact CG-CG1 4.21Å; L1144-I1156 HydrophobicContact CG-CG2 4.4Å; I1156-L1158 PolarHBondContact O-N 3.25Å; I1156-L1160 HydrophobicContact CG2-CB 3.88Å; I1156-F1161 HydrophobicContact CB-CE2 4.19Å; I1156-F1161 HydrophobicContact CB-CZ 4.26Å; I1156-F1161 HydrophobicContact CD1-CE1 4.5Å; I1156-F1161 HydrophobicContact CD1-CZ 4.31Å; I1156-F1161 HydrophobicContact CG2-CD2 3.99Å; I1156-F1161 HydrophobicContact CG2-CE1 4.49Å; I1156-F1161 HydrophobicContact CG2-CE2 3.77Å; I1156-F1161 HydrophobicContact CG2-CG 4.45Å; I1156-F1161 HydrophobicContact CG2-CZ 4.05Å
1157P56.8Low59Low58 Ų5888.2 Ų88.238%0.37745%0.452SS..  trans-47.5135.7165.5-24.820.4000111.7Q1155 D1159 L1160Q1155-P1157 WeakPolarHBondContact O-CD 3.48Å; P1157-D1159 PolarHBondContact O-N 2.79Å; P1157-L1160 HydrophobicContact CB-CD1 4.15Å; P1157-L1160 HydrophobicContact CB-CG 4.37Å; P1157-L1160 HydrophobicContact CG-CD1 3.67Å; P1157-L1160 HydrophobicContact CG-CG 4.4Å; P1157-L1160 WeakPolarHBondContact O-CB 2.91Å; P1157-L1160 PolarHBondContact O-N 3.43Å
1158L59.9Low59Low148 Ų14889 Ų8978%0.77546%0.456SS*.Hα-helixtrans-50.6-33.2178.4-95.6143.3000113.2I1156 L1160 F1161I1156-L1158 PolarHBondContact O-N 3.25Å; L1158-L1160 PolarHBondContact O-N 3.02Å; L1158-F1161 PolarHBondContact O-N 3.25Å
1159D56.5Low58.9Low141 Ų14195 Ų9575%0.75448%0.478SS*.Hα-helixtrans-68.8-15.9178.9-52.8-26.3000113.7P1157P1157-D1159 PolarHBondContact O-N 2.79Å
1160L55.2Low58.6Low35 Ų3592 Ų9218%0.18346%0.462CS..Hα-helixtrans-89.5-16.9177.6-75168.2000113.6L1144 L1147 I1156 P1157 L1158 D1162 L1163 E1164L1144-L1160 HydrophobicContact CD1-CB 3.84Å; L1144-L1160 HydrophobicContact CD1-CD1 4.19Å; L1144-L1160 HydrophobicContact CD1-CD2 4.39Å; L1144-L1160 HydrophobicContact CD1-CG 4.38Å; L1147-L1160 HydrophobicContact CD2-CD2 4.1Å; I1156-L1160 HydrophobicContact CG2-CB 3.88Å; P1157-L1160 HydrophobicContact CB-CD1 4.15Å; P1157-L1160 HydrophobicContact CB-CG 4.37Å; P1157-L1160 HydrophobicContact CG-CD1 3.67Å; P1157-L1160 HydrophobicContact CG-CG 4.4Å; P1157-L1160 WeakPolarHBondContact O-CB 2.91Å; P1157-L1160 PolarHBondContact O-N 3.43Å; L1158-L1160 PolarHBondContact O-N 3.02Å; L1160-D1162 PolarHBondContact O-N 2.84Å; L1160-L1163 HydrophobicContact CD2-CB 4.25Å; L1160-L1163 HydrophobicContact CD2-CD2 3.65Å; L1160-L1163 WeakPolarHBondContact O-CA 3.35Å; L1160-L1163 WeakPolarHBondContact O-CB 3.41Å; L1160-L1163 PolarHBondContact O-N 3.02Å; L1160-E1164 PolarHBondContact O-N 2.93Å
1161F60.3Low58.3Low99 Ų9988 Ų8843%0.43445%0.448SS..Hα-helixtrans-63.7-32.6169.8-76.2-75.3000111.3I1156 L1158 L1163 E1164 A1165I1156-F1161 HydrophobicContact CB-CE2 4.19Å; I1156-F1161 HydrophobicContact CB-CZ 4.26Å; I1156-F1161 HydrophobicContact CD1-CE1 4.5Å; I1156-F1161 HydrophobicContact CD1-CZ 4.31Å; I1156-F1161 HydrophobicContact CG2-CD2 3.99Å; I1156-F1161 HydrophobicContact CG2-CE1 4.49Å; I1156-F1161 HydrophobicContact CG2-CE2 3.77Å; I1156-F1161 HydrophobicContact CG2-CG 4.45Å; I1156-F1161 HydrophobicContact CG2-CZ 4.05Å; L1158-F1161 PolarHBondContact O-N 3.25Å; F1161-L1163 PolarHBondContact O-N 3.46Å; F1161-E1164 WeakPolarHBondContact CD1-OE2 3.38Å; F1161-E1164 WeakPolarHBondContact O-CB 3.24Å; F1161-E1164 PolarHBondContact O-N 3.39Å; F1161-A1165 PolarHBondContact O-N 2.87Å
1162D60.3Low57.9Low103 Ų10385.2 Ų85.255%0.55144%0.437SS*.Hα-helixtrans-63.4-28.3170-89.34.3000112L1160 K1166L1160-D1162 PolarHBondContact O-N 2.84Å; D1162-K1166 WeakPolarHBondContact O-CB 3.44Å; D1162-K1166 WeakPolarHBondContact O-CD 3.45Å; D1162-K1166 VanDerWaalsContact O-CG 3.22Å; D1162-K1166 WeakPolarHBondContact O-CG 3.38Å; D1162-K1166 PolarHBondContact O-N 2.57Å; D1162-K1166 VanDerWaalsContact O-N 3.15Å
1163L56.2Low57.3Low46 Ų4684 Ų8424%0.24143%0.43CS..Hα-helixtrans-74.2-43.5174.9-176.269.6000110.9L1160 F1161 K1166 I1167 W1193L1160-L1163 HydrophobicContact CD2-CB 4.25Å; L1160-L1163 HydrophobicContact CD2-CD2 3.65Å; L1160-L1163 WeakPolarHBondContact O-CA 3.35Å; L1160-L1163 WeakPolarHBondContact O-CB 3.41Å; L1160-L1163 PolarHBondContact O-N 3.02Å; F1161-L1163 PolarHBondContact O-N 3.46Å; L1163-K1166 PolarHBondContact O-N 3.35Å; L1163-I1167 HydrophobicContact CG-CD1 3.96Å; L1163-I1167 VanDerWaalsContact O-CG1 3.24Å; L1163-I1167 WeakPolarHBondContact O-CG1 3.35Å; L1163-I1167 PolarHBondContact O-N 2.86Å; L1163-W1193 HydrophobicContact CD1-CZ3 4.22Å
1164E57.5Low56.3Low31 Ų3188 Ų8815%0.14545%0.445CS..Hα-helixtrans-55.4-52.8173.8-169.6-172.8151.800111.2E1141 L1144 L1160 F1161 K1166 I1167 D1168E1141-E1164 WeakPolarHBondContact CG-OE1 3.26Å; L1144-E1164 HydrophobicContact CD2-CB 4.21Å; L1144-E1164 HydrophobicContact CD2-CG 4.49Å; L1160-E1164 PolarHBondContact O-N 2.93Å; F1161-E1164 WeakPolarHBondContact CD1-OE2 3.38Å; F1161-E1164 WeakPolarHBondContact O-CB 3.24Å; F1161-E1164 PolarHBondContact O-N 3.39Å; E1164-K1166 VanDerWaalsContact C-N 3.31Å; E1164-K1166 PolarHBondContact O-N 3.24Å; E1164-I1167 WeakPolarHBondContact O-CB 3.43Å; E1164-I1167 PolarHBondContact O-N 2.74Å; E1164-D1168 PolarHBondContact O-N 2.78Å
1165A62.4Low55.6Low60 Ų6079.4 Ų79.450%0.49641%0.405SS..Hα-helixtrans-61.9-35.8177.700000112.8F1161 Y1169F1161-A1165 PolarHBondContact O-N 2.87Å; A1165-Y1169 VanDerWaalsContact O-CB 3.25Å; A1165-Y1169 WeakPolarHBondContact O-CB 3.27Å; A1165-Y1169 PolarHBondContact O-N 3.13Å
1166K59.1Low55.2Low133 Ų13376.5 Ų76.558%0.57839%0.39SS*.Hα-helixtrans-67.5-38.1173.3-81.9172.9-176169.80112.2D1162 L1163 E1164 Y1169 I1170D1162-K1166 WeakPolarHBondContact O-CB 3.44Å; D1162-K1166 WeakPolarHBondContact O-CD 3.45Å; D1162-K1166 VanDerWaalsContact O-CG 3.22Å; D1162-K1166 WeakPolarHBondContact O-CG 3.38Å; D1162-K1166 PolarHBondContact O-N 2.57Å; D1162-K1166 VanDerWaalsContact O-N 3.15Å; L1163-K1166 PolarHBondContact O-N 3.35Å; E1164-K1166 VanDerWaalsContact C-N 3.31Å; E1164-K1166 PolarHBondContact O-N 3.24Å; K1166-Y1169 PolarHBondContact O-N 3.4Å; K1166-I1170 WeakPolarHBondContact O-CD1 3.36Å; K1166-I1170 WeakPolarHBondContact O-CG1 3.45Å; K1166-I1170 PolarHBondContact O-N 2.97Å
1167I56.5Low54.4Low15 Ų1577.1 Ų77.18%0.07741%0.412CS..Hα-helixtrans-64.7-47.5176.4-72.1164.7000109.5L1143 L1163 E1164 Y1169 I1170 L1171L1143-I1167 HydrophobicContact CB-CD1 4.4Å; L1143-I1167 HydrophobicContact CD1-CD1 4.37Å; L1143-I1167 HydrophobicContact CD1-CG2 3.87Å; L1163-I1167 HydrophobicContact CG-CD1 3.96Å; L1163-I1167 VanDerWaalsContact O-CG1 3.24Å; L1163-I1167 WeakPolarHBondContact O-CG1 3.35Å; L1163-I1167 PolarHBondContact O-N 2.86Å; E1164-I1167 WeakPolarHBondContact O-CB 3.43Å; E1164-I1167 PolarHBondContact O-N 2.74Å; I1167-Y1169 VanDerWaalsContact C-N 3.34Å; I1167-Y1169 PolarHBondContact O-N 2.86Å; I1167-I1170 WeakPolarHBondContact O-CB 3.41Å; I1167-I1170 PolarHBondContact O-N 3.25Å; I1167-L1171 HydrophobicContact CG2-CD1 3.91Å; I1167-L1171 WeakPolarHBondContact O-CD1 3.3Å; I1167-L1171 VanDerWaalsContact O-CG 3.29Å; I1167-L1171 WeakPolarHBondContact O-CG 3.48Å; I1167-L1171 PolarHBondContact O-N 2.8Å
1168D60.9Low53.6Low53 Ų5375.6 Ų75.628%0.28341%0.407SS..Hα-helixtrans-65.8-36.7177.8-72.2-19.9000112G1140 E1164 L1171 S1172G1140-D1168 PolarHBondContact N-OD1 3.06Å; G1140-D1168 VanDerWaalsContact N-OD1 3.07Å; E1164-D1168 PolarHBondContact O-N 2.78Å; D1168-L1171 CarbonylContact O-C 3.58Å; D1168-L1171 PolarHBondContact O-N 2.96Å; D1168-L1171 VanDerWaalsContact O-N 3.13Å; D1168-S1172 PolarHBondContact O-N 3.26Å; D1168-S1172 VanDerWaalsContact O-N 3.09Å
1169Y59.9Low53Low136 Ų13676.1 Ų76.153%0.53341%0.411SS..Hα-helixtrans-61.4-42.8171.7177.5-100.7000112.3A1165 K1166 I1167 L1171 S1172A1165-Y1169 VanDerWaalsContact O-CB 3.25Å; A1165-Y1169 WeakPolarHBondContact O-CB 3.27Å; A1165-Y1169 PolarHBondContact O-N 3.13Å; K1166-Y1169 PolarHBondContact O-N 3.4Å; I1167-Y1169 VanDerWaalsContact C-N 3.34Å; I1167-Y1169 PolarHBondContact O-N 2.86Å; Y1169-L1171 PolarHBondContact O-N 2.73Å; Y1169-S1172 WeakPolarHBondContact O-CB 3.43Å; Y1169-S1172 PolarHBondContact O-N 3.47Å; Y1169-S1172 PolarHBondContact O-OG 2.78Å
1170I52.6Low53Low34 Ų3475.1 Ų75.117%0.17440%0.401CS..Hα-helixtrans-59.1-28.8175.8-71.8164.2000111.7K1166 I1167 L1175 W1190K1166-I1170 WeakPolarHBondContact O-CD1 3.36Å; K1166-I1170 WeakPolarHBondContact O-CG1 3.45Å; K1166-I1170 PolarHBondContact O-N 2.97Å; I1167-I1170 WeakPolarHBondContact O-CB 3.41Å; I1167-I1170 PolarHBondContact O-N 3.25Å; I1170-L1175 HydrophobicContact CB-CD1 4.34Å; I1170-L1175 VanDerWaalsContact O-CD1 3.28Å; I1170-L1175 WeakPolarHBondContact O-CD1 3.49Å; I1170-W1190 HydrophobicContact CG2-CB 4.35Å; I1170-W1190 HydrophobicContact CG2-CG 4.36Å
1171L51.6Low53.1Low30 Ų3077.6 Ų77.616%0.15742%0.418CS..Hα-helixtrans-93.6-8.2-176.5-65.3163.4000114I1139 I1167 D1168 Y1169 W1190I1139-L1171 HydrophobicContact CB-CD1 3.43Å; I1139-L1171 VanDerWaalsContact CB-CD1 3.43Å; I1139-L1171 HydrophobicContact CD1-CD1 3.75Å; I1139-L1171 HydrophobicContact CD1-CD2 4.25Å; I1139-L1171 HydrophobicContact CG1-CD1 4.15Å; I1139-L1171 HydrophobicContact CG2-CD1 3.32Å; I1167-L1171 HydrophobicContact CG2-CD1 3.91Å; I1167-L1171 WeakPolarHBondContact O-CD1 3.3Å; I1167-L1171 VanDerWaalsContact O-CG 3.29Å; I1167-L1171 WeakPolarHBondContact O-CG 3.48Å; I1167-L1171 PolarHBondContact O-N 2.8Å; D1168-L1171 CarbonylContact O-C 3.58Å; D1168-L1171 PolarHBondContact O-N 2.96Å; D1168-L1171 VanDerWaalsContact O-N 3.13Å; Y1169-L1171 PolarHBondContact O-N 2.73Å; L1171-W1190 HydrophobicContact CD1-CZ2 4.37Å; L1171-W1190 HydrophobicContact CD2-CH2 4.04Å; L1171-W1190 HydrophobicContact CD2-CZ2 3.91Å; L1171-W1190 HydrophobicContact CD2-CZ3 4.5Å
1172S56Low53Low36 Ų3678.4 Ų78.425%0.25243%0.426SS..SBendtrans-63151.5175.671.10000111.4D1168 Y1169 E1174 L1175D1168-S1172 PolarHBondContact O-N 3.26Å; D1168-S1172 VanDerWaalsContact O-N 3.09Å; Y1169-S1172 WeakPolarHBondContact O-CB 3.43Å; Y1169-S1172 PolarHBondContact O-N 3.47Å; Y1169-S1172 PolarHBondContact O-OG 2.78Å; S1172-E1174 PolarHBondContact O-N 2.61Å; S1172-L1175 PolarHBondContact O-N 2.74Å
1173D48.5Very low53Low120 Ų12075.5 Ų75.564%0.64241%0.409SS*.G310 helixtrans-61.3-15.5179.8-71.2-38.9000113.2L1175 K1176D1173-L1175 PolarHBondContact O-N 2.92Å; D1173-K1176 PolarHBondContact O-N 2.96Å; D1173-K1176 VanDerWaalsContact O-N 3.15Å; D1173-K1176 WeakPolarHBondContact OD1-CD 3.49Å; D1173-K1176 WeakPolarHBondContact OD1-CE 3.48Å; D1173-K1176 IonicContact OD1-NZ 2.62Å; D1173-K1176 PolarHBondContact OD1-NZ 2.94Å
1174E43.8Very low53.1Low146 Ų14675 Ų7568%0.68241%0.405SS*.G310 helixtrans-61.2-24.3177.2-67.6-175.1160.600113.3S1172S1172-E1174 PolarHBondContact O-N 2.61Å
1175L44.1Very low53.2Low15 Ų1576 Ų768%0.07942%0.415CS..G310 helixtrans-93.2-7.5178.5-80.2160.9000114.4I1170 S1172 D1173 G1177 Q1183I1170-L1175 HydrophobicContact CB-CD1 4.34Å; I1170-L1175 VanDerWaalsContact O-CD1 3.28Å; I1170-L1175 WeakPolarHBondContact O-CD1 3.49Å; S1172-L1175 PolarHBondContact O-N 2.74Å; D1173-L1175 PolarHBondContact O-N 2.92Å; L1175-G1177 PolarHBondContact O-N 3.4Å; L1175-Q1183 HydrophobicContact CD2-CB 3.98Å; L1175-Q1183 HydrophobicContact CD2-CG 3.76Å
1176K45.4Very low53.1Low104 Ų10476.9 Ų76.945%0.45241%0.409SS..THydrogen-bonded Turntrans-75.9-0.9-178.5-67-174.3-178.91590114.3D1173 N1223D1173-K1176 PolarHBondContact O-N 2.96Å; D1173-K1176 VanDerWaalsContact O-N 3.15Å; D1173-K1176 WeakPolarHBondContact OD1-CD 3.49Å; D1173-K1176 WeakPolarHBondContact OD1-CE 3.48Å; D1173-K1176 IonicContact OD1-NZ 2.62Å; D1173-K1176 PolarHBondContact OD1-NZ 2.94Å; K1176-N1223 WeakPolarHBondContact CG-OD1 3.47Å
1177G39.2Very low53.3Low77 Ų7771 Ų7179%0.79438%0.384SS*.THydrogen-bonded Turntrans-145.218.2-171.200000117.3L1175L1175-G1177 PolarHBondContact O-N 3.4Å
1178G40.2Very low53.5Low25 Ų2570.5 Ų70.526%0.25838%0.381SS..  trans-99.2145.2-177.700000115.1Q1180 Q1183G1178-Q1180 PolarHBondContact O-N 3.23Å; G1178-Q1183 VanDerWaalsContact C-OE1 3.31Å; G1178-Q1183 PolarHBondContact O-OE1 3.32Å
1179D46.9Very low53.5Low160 Ų16072.9 Ų72.986%0.85639%0.39SS*.  trans-95.828.8-168.9-144.411.7000113.9
1180Q57.2Low53.6Low120 Ų12067.1 Ų67.156%0.56137%0.367SS*.  trans-118.3123.3-172.4-67.4-172.4-2.100113.2G1178 L1182 Q1183 F1184G1178-Q1180 PolarHBondContact O-N 3.23Å; Q1180-L1182 PolarHBondContact O-N 2.87Å; Q1180-Q1183 HydrophobicContact CB-CG 4.36Å; Q1180-Q1183 WeakPolarHBondContact O-CB 3.24Å; Q1180-Q1183 PolarHBondContact O-N 3.45Å; Q1180-F1184 PolarHBondContact O-N 2.7Å
1181V57.1Low54Low87 Ų8765.6 Ų65.653%0.52736%0.36SS..Hα-helixtrans-44.6-33.8174.8176.20000113.5F1184 C1185V1181-F1184 PolarHBondContact O-N 3.15Å; V1181-C1185 PolarHBondContact O-N 2.91Å; V1181-C1185 VanDerWaalsContact O-N 3.08Å; V1181-C1185 PolarHBondContact O-SG 2.96Å; V1181-C1185 VanDerWaalsContact O-SG 3.36Å
1182L57.9Low54.3Low116 Ų11664.9 Ų64.961%0.60736%0.357SS*.Hα-helixtrans-64.1-39.5178.2-167.271.8000112.8Q1180 C1185 Q1186Q1180-L1182 PolarHBondContact O-N 2.87Å; L1182-C1185 WeakPolarHBondContact O-CB 3.31Å; L1182-C1185 PolarHBondContact O-N 3.39Å; L1182-Q1186 WeakPolarHBondContact O-CG 3.39Å; L1182-Q1186 PolarHBondContact O-N 3.16Å; L1182-Q1186 VanDerWaalsContact O-N 3.07Å
1183Q60.1Low54.4Low42 Ų4269.3 Ų69.320%0.19637%0.368CS..Hα-helixtrans-68.1-41.3178.7-64.4172.8-11.500110.6L1175 G1178 Q1180 C1185 Q1186 I1187L1175-Q1183 HydrophobicContact CD2-CB 3.98Å; L1175-Q1183 HydrophobicContact CD2-CG 3.76Å; G1178-Q1183 VanDerWaalsContact C-OE1 3.31Å; G1178-Q1183 PolarHBondContact O-OE1 3.32Å; Q1180-Q1183 HydrophobicContact CB-CG 4.36Å; Q1180-Q1183 WeakPolarHBondContact O-CB 3.24Å; Q1180-Q1183 PolarHBondContact O-N 3.45Å; Q1183-C1185 VanDerWaalsContact C-N 3.31Å; Q1183-C1185 PolarHBondContact O-N 2.7Å; Q1183-Q1186 PolarHBondContact O-N 3.28Å; Q1183-Q1186 VanDerWaalsContact O-N 3.15Å; Q1183-I1187 WeakPolarHBondContact O-CG1 3.34Å; Q1183-I1187 PolarHBondContact O-N 2.97Å
1184F58.5Low54.9Low36 Ų3663.7 Ų63.716%0.15834%0.338CS..Hα-helixtrans-60.5-38.7173.1-60.6-36.4000112.6Q1180 V1181 K1188 Y1227Q1180-F1184 PolarHBondContact O-N 2.7Å; V1181-F1184 PolarHBondContact O-N 3.15Å; F1184-K1188 WeakPolarHBondContact O-CB 3.27Å; F1184-K1188 VanDerWaalsContact O-CG 3.31Å; F1184-K1188 WeakPolarHBondContact O-CG 3.23Å; F1184-K1188 PolarHBondContact O-N 3.2Å; F1184-K1188 VanDerWaalsContact O-N 3.1Å; F1184-Y1227 VanDerWaalsContact CD1-CA 3.4Å; F1184-Y1227 HydrophobicContact CD1-CG 4.44Å; F1184-Y1227 VanDerWaalsContact CE1-CB 3.48Å
1185C59.7Low55.5Low52 Ų5257.6 Ų57.635%0.35131%0.31SS..Hα-helixtrans-64.9-39.2174-73.10000112.7V1181 L1182 Q1183 K1188 Q1189V1181-C1185 PolarHBondContact O-N 2.91Å; V1181-C1185 VanDerWaalsContact O-N 3.08Å; V1181-C1185 PolarHBondContact O-SG 2.96Å; V1181-C1185 VanDerWaalsContact O-SG 3.36Å; L1182-C1185 WeakPolarHBondContact O-CB 3.31Å; L1182-C1185 PolarHBondContact O-N 3.39Å; Q1183-C1185 VanDerWaalsContact C-N 3.31Å; Q1183-C1185 PolarHBondContact O-N 2.7Å; C1185-K1188 PolarHBondContact O-N 3.45Å; C1185-Q1189 WeakPolarHBondContact O-CB 3.41Å; C1185-Q1189 PolarHBondContact O-N 3.05Å
1186Q60.5Low56.2Low78 Ų7863.3 Ų63.336%0.36433%0.331SS..Hα-helixtrans-66.3-44.1178.3-73.1173.2-19.500112.2L1182 Q1183 K1188 Q1189 W1190L1182-Q1186 WeakPolarHBondContact O-CG 3.39Å; L1182-Q1186 PolarHBondContact O-N 3.16Å; L1182-Q1186 VanDerWaalsContact O-N 3.07Å; Q1183-Q1186 PolarHBondContact O-N 3.28Å; Q1183-Q1186 VanDerWaalsContact O-N 3.15Å; Q1186-K1188 PolarHBondContact O-N 2.97Å; Q1186-Q1189 PolarHBondContact O-N 3.47Å; Q1186-W1190 PolarHBondContact O-N 3.16Å
1187I62.2Low56.8Low10 Ų1059.8 Ų59.85%0.05132%0.317CS..Hα-helixtrans-61.5-45.6175.5-65.3166.7000110.6Q1183 Q1189 W1190 L1191 Y1219 Y1227Q1183-I1187 WeakPolarHBondContact O-CG1 3.34Å; Q1183-I1187 PolarHBondContact O-N 2.97Å; I1187-Q1189 VanDerWaalsContact C-N 3.34Å; I1187-Q1189 PolarHBondContact O-N 3.04Å; I1187-W1190 PolarHBondContact O-N 3.09Å; I1187-L1191 HydrophobicContact CG2-CD1 4.33Å; I1187-L1191 PolarHBondContact O-N 3.31Å; I1187-Y1219 HydrophobicContact CG2-CE1 4.04Å; I1187-Y1227 HydrophobicContact CG2-CD2 4.36Å; I1187-Y1227 HydrophobicContact CG2-CE2 4.28Å
1188K61.1Low57.6Low4 Ų457.5 Ų57.52%0.01729%0.286CS..Hα-helixtrans-58.7-43.7175.2-80.9-174.5-170-166.10112F1184 C1185 Q1186 S1192 Y1227 L1228 T1231 A1237 D1238F1184-K1188 WeakPolarHBondContact O-CB 3.27Å; F1184-K1188 VanDerWaalsContact O-CG 3.31Å; F1184-K1188 WeakPolarHBondContact O-CG 3.23Å; F1184-K1188 PolarHBondContact O-N 3.2Å; F1184-K1188 VanDerWaalsContact O-N 3.1Å; C1185-K1188 PolarHBondContact O-N 3.45Å; Q1186-K1188 PolarHBondContact O-N 2.97Å; K1188-S1192 WeakPolarHBondContact O-CB 3.38Å; K1188-S1192 PolarHBondContact O-N 3.5Å; K1188-Y1227 WeakPolarHBondContact CE-O 3.37Å; K1188-Y1227 HydrophobicContact CG-CD2 4.35Å; K1188-Y1227 PolarHBondContact NZ-O 3.38Å; K1188-L1228 PolarHBondContact NZ-O 2.84Å; K1188-T1231 PolarHBondContact NZ-OG1 3.02Å; K1188-A1237 HydrophobicContact CB-CB 3.65Å; K1188-A1237 HydrophobicContact CG-CB 4.41Å; K1188-A1237 WeakPolarHBondContact O-CB 3.33Å; K1188-D1238 WeakPolarHBondContact CE-OD1 3.23Å; K1188-D1238 IonicContact NZ-OD1 3.59Å; K1188-D1238 PolarHBondContact NZ-OD1 3.22Å; K1188-D1238 IonicContact NZ-OD2 2.71Å
1189Q60.9Low58.3Low102 Ų10260.1 Ų60.148%0.47730%0.3SS..Hα-helixtrans-64.8-39.6177.2-173.2169.75.600111.9C1185 Q1186 I1187 S1192 W1193C1185-Q1189 WeakPolarHBondContact O-CB 3.41Å; C1185-Q1189 PolarHBondContact O-N 3.05Å; Q1186-Q1189 PolarHBondContact O-N 3.47Å; I1187-Q1189 VanDerWaalsContact C-N 3.34Å; I1187-Q1189 PolarHBondContact O-N 3.04Å; Q1189-S1192 WeakPolarHBondContact O-CB 3.44Å; Q1189-S1192 PolarHBondContact O-N 3.32Å; Q1189-W1193 PolarHBondContact O-N 3.19Å
1190W62.9Low58.6Low15 Ų1557.4 Ų57.46%0.05728%0.284CS..Hα-helixtrans-63.8-49.2175.817985.3000112.3I1139 L1143 I1170 L1171 Q1186 I1187 S1192 W1193 S1194I1139-W1190 HydrophobicContact CG2-CZ2 3.9Å; L1143-W1190 HydrophobicContact CD1-CZ2 4.07Å; I1170-W1190 HydrophobicContact CG2-CB 4.35Å; I1170-W1190 HydrophobicContact CG2-CG 4.36Å; L1171-W1190 HydrophobicContact CD1-CZ2 4.37Å; L1171-W1190 HydrophobicContact CD2-CH2 4.04Å; L1171-W1190 HydrophobicContact CD2-CZ2 3.91Å; L1171-W1190 HydrophobicContact CD2-CZ3 4.5Å; Q1186-W1190 PolarHBondContact O-N 3.16Å; I1187-W1190 PolarHBondContact O-N 3.09Å; W1190-S1192 PolarHBondContact O-N 3.2Å; W1190-W1193 PolarHBondContact O-N 2.85Å; W1190-S1194 WeakPolarHBondContact O-CB 3.41Å; W1190-S1194 PolarHBondContact O-N 2.77Å; W1190-S1194 PolarHBondContact O-OG 2.77Å
1191L60.2Low58.4Low3 Ų352.6 Ų52.62%0.01626%0.262CS..Hα-helixtrans-56.8-40.9175.2-74169.6000110.8I1187 S1194 I1195 V1216 L1220 Y1227 V1241I1187-L1191 HydrophobicContact CG2-CD1 4.33Å; I1187-L1191 PolarHBondContact O-N 3.31Å; L1191-S1194 VanDerWaalsContact O-CB 3.29Å; L1191-S1194 WeakPolarHBondContact O-CB 3.39Å; L1191-I1195 WeakPolarHBondContact O-CD1 3.35Å; L1191-I1195 VanDerWaalsContact O-CG1 3.23Å; L1191-I1195 WeakPolarHBondContact O-CG1 3.49Å; L1191-I1195 PolarHBondContact O-N 3.19Å; L1191-I1195 VanDerWaalsContact O-N 3.07Å; L1191-V1216 HydrophobicContact CD2-CG1 4.42Å; L1191-L1220 HydrophobicContact CD1-CD2 4.32Å; L1191-Y1227 HydrophobicContact CD1-CE2 4.35Å; L1191-V1241 HydrophobicContact CB-CG2 4.16Å; L1191-V1241 HydrophobicContact CD1-CG2 3.83Å
1192S57.8Low58.3Low14 Ų1460.5 Ų60.510%0.09828%0.282CS..Hα-helixtrans-60.4-46.2176.3173.70000113.6K1188 Q1189 W1190 R1196 I1240K1188-S1192 WeakPolarHBondContact O-CB 3.38Å; K1188-S1192 PolarHBondContact O-N 3.5Å; Q1189-S1192 WeakPolarHBondContact O-CB 3.44Å; Q1189-S1192 PolarHBondContact O-N 3.32Å; W1190-S1192 PolarHBondContact O-N 3.2Å; S1192-R1196 PolarHBondContact O-N 2.72Å; S1192-R1196 VanDerWaalsContact O-N 3.07Å; S1192-I1240 WeakPolarHBondContact OG-CD1 3.34Å
1193W59.1Low58.1Low130 Ų13064.2 Ų64.249%0.49229%0.293SS..Hα-helixtrans-66.7-49.4178.9-75.83.5000112.4L1163 Q1189 W1190 I1195 R1196 I1197L1163-W1193 HydrophobicContact CD1-CZ3 4.22Å; Q1189-W1193 PolarHBondContact O-N 3.19Å; W1190-W1193 PolarHBondContact O-N 2.85Å; W1193-I1195 VanDerWaalsContact C-N 3.3Å; W1193-I1195 PolarHBondContact O-N 3.29Å; W1193-R1196 PolarHBondContact O-N 3.1Å; W1193-R1196 VanDerWaalsContact O-N 3.14Å; W1193-I1197 WeakPolarHBondContact O-CG1 3.21Å; W1193-I1197 PolarHBondContact O-N 2.94Å
1194S58.8Low57.9Low2 Ų263.9 Ų63.91%0.01429%0.293CS..Hα-helixtrans-42.5-52.8171-810000113.3W1190 L1191 L1198 Y1212W1190-S1194 WeakPolarHBondContact O-CB 3.41Å; W1190-S1194 PolarHBondContact O-N 2.77Å; W1190-S1194 PolarHBondContact O-OG 2.77Å; L1191-S1194 VanDerWaalsContact O-CB 3.29Å; L1191-S1194 WeakPolarHBondContact O-CB 3.39Å; S1194-L1198 WeakPolarHBondContact O-CG 3.41Å; S1194-L1198 PolarHBondContact O-N 3.14Å; S1194-L1198 VanDerWaalsContact O-N 3.16Å; S1194-Y1212 WeakPolarHBondContact CA-OH 3.35Å; S1194-Y1212 WeakPolarHBondContact CB-OH 3.35Å; S1194-Y1212 PolarHBondContact OG-OH 3.45Å
1195I56.8Low57.9Low17 Ų1765.8 Ų65.89%0.08731%0.305CS..Hα-helixtrans-73.8-38.1-178.6-64.8155.9000111.6L1191 W1193 L1198 S1199 I1240 T1244L1191-I1195 WeakPolarHBondContact O-CD1 3.35Å; L1191-I1195 VanDerWaalsContact O-CG1 3.23Å; L1191-I1195 WeakPolarHBondContact O-CG1 3.49Å; L1191-I1195 PolarHBondContact O-N 3.19Å; L1191-I1195 VanDerWaalsContact O-N 3.07Å; W1193-I1195 VanDerWaalsContact C-N 3.3Å; W1193-I1195 PolarHBondContact O-N 3.29Å; I1195-L1198 PolarHBondContact O-N 3.47Å; I1195-S1199 VanDerWaalsContact O-CB 3.32Å; I1195-S1199 WeakPolarHBondContact O-CB 3.49Å; I1195-S1199 PolarHBondContact O-N 2.71Å; I1195-S1199 PolarHBondContact O-OG 3.16Å; I1195-I1240 HydrophobicContact CB-CG2 3.81Å; I1195-I1240 HydrophobicContact CD1-CG2 3.38Å; I1195-I1240 HydrophobicContact CG1-CG2 4.19Å; I1195-I1240 HydrophobicContact CG2-CG2 3.91Å; I1195-T1244 HydrophobicContact CD1-CG2 4.03Å; I1195-T1244 WeakPolarHBondContact CD1-OG1 3.06Å; I1195-T1244 HydrophobicContact CG1-CG2 4.42Å; I1195-T1244 WeakPolarHBondContact CG1-OG1 3.48Å
1196R58.4Low58Low136 Ų13668.4 Ų68.451%0.51332%0.321SS..Hα-helixtrans-59.9-47.7174.9-88.3-173175.1-139.8-1.1111.5S1192 W1193 L1198 S1199 M1200S1192-R1196 PolarHBondContact O-N 2.72Å; S1192-R1196 VanDerWaalsContact O-N 3.07Å; W1193-R1196 PolarHBondContact O-N 3.1Å; W1193-R1196 VanDerWaalsContact O-N 3.14Å; R1196-L1198 VanDerWaalsContact C-N 3.32Å; R1196-L1198 PolarHBondContact O-N 3.25Å; R1196-S1199 WeakPolarHBondContact CA-OG 3.37Å; R1196-S1199 PolarHBondContact O-N 2.74Å; R1196-S1199 PolarHBondContact O-OG 3.26Å; R1196-M1200 WeakPolarHBondContact O-CB 3.4Å; R1196-M1200 VanDerWaalsContact O-CG 3.26Å; R1196-M1200 WeakPolarHBondContact O-CG 3.41Å; R1196-M1200 PolarHBondContact O-N 3.32Å
1197I57.2Low58Low30 Ų3070.9 Ų70.915%0.15433%0.33CS..Hα-helixtrans-59.4-44.3178.6-68.1168.6000110.2L1143 A1146 L1147 W1193 N1201L1143-I1197 HydrophobicContact CD2-CD1 4.44Å; A1146-I1197 HydrophobicContact CB-CG2 3.7Å; L1147-I1197 HydrophobicContact CD1-CD1 3.8Å; L1147-I1197 HydrophobicContact CD1-CG1 4.28Å; W1193-I1197 WeakPolarHBondContact O-CG1 3.21Å; W1193-I1197 PolarHBondContact O-N 2.94Å; I1197-N1201 WeakPolarHBondContact O-CB 3.5Å; I1197-N1201 PolarHBondContact O-N 2.99Å
1198L55.7Low57.8Low28 Ų2873 Ų7315%0.14734%0.339CS..Hα-helixtrans-63.8-46.6175.1-73.2-178.1000113.4S1194 I1195 R1196 M1200 N1201 I1204 Y1212S1194-L1198 WeakPolarHBondContact O-CG 3.41Å; S1194-L1198 PolarHBondContact O-N 3.14Å; S1194-L1198 VanDerWaalsContact O-N 3.16Å; I1195-L1198 PolarHBondContact O-N 3.47Å; R1196-L1198 VanDerWaalsContact C-N 3.32Å; R1196-L1198 PolarHBondContact O-N 3.25Å; L1198-M1200 VanDerWaalsContact C-N 3.32Å; L1198-M1200 PolarHBondContact O-N 2.88Å; L1198-N1201 PolarHBondContact O-N 3.34Å; L1198-I1204 HydrophobicContact CD2-CD1 3.76Å; L1198-Y1212 HydrophobicContact CD1-CD1 3.48Å; L1198-Y1212 VanDerWaalsContact CD1-CD1 3.48Å; L1198-Y1212 HydrophobicContact CD1-CE1 3.31Å; L1198-Y1212 HydrophobicContact CD2-CD1 3.89Å; L1198-Y1212 HydrophobicContact CD2-CE1 4.23Å; L1198-Y1212 HydrophobicContact CD2-CG 4.44Å; L1198-Y1212 HydrophobicContact CG-CD1 3.99Å; L1198-Y1212 HydrophobicContact CG-CE1 3.84Å
1199S54.8Low57.8Low81 Ų8175.5 Ų75.557%0.56635%0.351SS*.Hα-helixtrans-68.8-29.7-175.868.10000113.4I1195 R1196I1195-S1199 VanDerWaalsContact O-CB 3.32Å; I1195-S1199 WeakPolarHBondContact O-CB 3.49Å; I1195-S1199 PolarHBondContact O-N 2.71Å; I1195-S1199 PolarHBondContact O-OG 3.16Å; R1196-S1199 WeakPolarHBondContact CA-OG 3.37Å; R1196-S1199 PolarHBondContact O-N 2.74Å; R1196-S1199 PolarHBondContact O-OG 3.26Å
1200M54.2Low57.9Low103 Ų10373.1 Ų73.151%0.50735%0.346SS..Hα-helixtrans-82.5-18.7-178.3-73.9-179144.100113Y1150 R1196 L1198Y1150-M1200 HydrophobicContact CD2-CB 4.28Å; Y1150-M1200 HydrophobicContact CE2-CB 3.88Å; Y1150-M1200 HydrophobicContact CE2-SD 4.35Å; R1196-M1200 WeakPolarHBondContact O-CB 3.4Å; R1196-M1200 VanDerWaalsContact O-CG 3.26Å; R1196-M1200 WeakPolarHBondContact O-CG 3.41Å; R1196-M1200 PolarHBondContact O-N 3.32Å; L1198-M1200 VanDerWaalsContact C-N 3.32Å; L1198-M1200 PolarHBondContact O-N 2.88Å
1201N52.9Low57.8Low19 Ų1975.3 Ų75.310%0.10236%0.358CS..  trans-110.889.8-163.2-155.1-8.1000111.7A1146 I1197 L1198 K1203 I1204A1146-N1201 PolarHBondContact O-ND2 2.92Å; I1197-N1201 WeakPolarHBondContact O-CB 3.5Å; I1197-N1201 PolarHBondContact O-N 2.99Å; L1198-N1201 PolarHBondContact O-N 3.34Å; N1201-K1203 PolarHBondContact O-N 3.49Å; N1201-K1203 VanDerWaalsContact O-N 3.11Å; N1201-I1204 HydrophobicContact CB-CD1 3.75Å; N1201-I1204 HydrophobicContact CB-CG1 3.74Å
1202R53.5Low57.9Low253 Ų25375.5 Ų75.596%0.95536%0.358SS*.THydrogen-bonded Turntrans-68-1.4176-67.7-174.1179.6-175.9-0.2114.2
1203K54.8Low58Low193 Ų19379.7 Ų79.784%0.83937%0.372SS*.THydrogen-bonded Turntrans-115.112-174.1-71.3-172.9177.5-179.90114.6N1201N1201-K1203 PolarHBondContact O-N 3.49Å; N1201-K1203 VanDerWaalsContact O-N 3.11Å
1204I56.3Low58.2Low35 Ų3580.2 Ų80.218%0.17938%0.378CS..  trans-69.2135.5177.6-61.9177.6000109.8A1146 L1198 N1201 K1208 H1209A1146-I1204 HydrophobicContact CB-CD1 4.38Å; L1198-I1204 HydrophobicContact CD2-CD1 3.76Å; N1201-I1204 HydrophobicContact CB-CD1 3.75Å; N1201-I1204 HydrophobicContact CB-CG1 3.74Å; I1204-K1208 HydrophobicContact CG2-CB 4.38Å; I1204-H1209 HydrophobicContact CG2-CB 4.01Å
1205D59.1Low58.2Low77 Ų7783.2 Ų83.241%0.41239%0.393SS..  trans-51.8123.6169.9178.8-22.4000110.4K1207 K1208 H1209D1205-K1207 PolarHBondContact O-N 3.28Å; D1205-K1207 VanDerWaalsContact O-N 3.1Å; D1205-K1207 WeakPolarHBondContact OD1-CB 3.43Å; D1205-K1207 PolarHBondContact OD1-N 3.3Å; D1205-K1208 HydrophobicContact CB-CB 4.09Å; D1205-K1208 HydrophobicContact CB-CD 4.01Å; D1205-K1208 HydrophobicContact CB-CG 3.94Å; D1205-K1208 PolarHBondContact O-N 3.43Å; D1205-H1209 PolarHBondContact O-N 2.68Å
1206P59.8Low58.4Low106 Ų10683 Ų8369%0.68839%0.393SS*.Hα-helixtrans-52.5-33.2179.8-25.933.2000114.2S1210P1206-S1210 PolarHBondContact O-N 2.99Å
1207K61.4Low58.4Low130 Ų13078.7 Ų78.757%0.56538%0.378SS*.Hα-helixtrans-71.4-45.6179-168.4179.8176.3-171.30110.9D1205 H1209 S1210 I1211D1205-K1207 PolarHBondContact O-N 3.28Å; D1205-K1207 VanDerWaalsContact O-N 3.1Å; D1205-K1207 WeakPolarHBondContact OD1-CB 3.43Å; D1205-K1207 PolarHBondContact OD1-N 3.3Å; K1207-H1209 VanDerWaalsContact C-N 3.32Å; K1207-H1209 PolarHBondContact O-N 2.96Å; K1207-S1210 PolarHBondContact O-N 3.29Å; K1207-I1211 HydrophobicContact CG-CD1 4.35Å; K1207-I1211 WeakPolarHBondContact O-CG1 3.25Å; K1207-I1211 PolarHBondContact O-N 3.06Å
1208K59.1Low58.5Low55 Ų5581.4 Ų81.424%0.23939%0.393CS..Hα-helixtrans-62.4-41.1174.9-65.9-176.5177178.30111.1D1145 I1204 D1205 I1211 Y1212D1145-K1208 IonicContact OD1-NZ 3.91Å; D1145-K1208 IonicContact OD2-NZ 2.64Å; D1145-K1208 PolarHBondContact OD2-NZ 2.82Å; I1204-K1208 HydrophobicContact CG2-CB 4.38Å; D1205-K1208 HydrophobicContact CB-CB 4.09Å; D1205-K1208 HydrophobicContact CB-CD 4.01Å; D1205-K1208 HydrophobicContact CB-CG 3.94Å; D1205-K1208 PolarHBondContact O-N 3.43Å; K1208-I1211 PolarHBondContact O-N 3.13Å; K1208-Y1212 VanDerWaalsContact O-CB 3.27Å; K1208-Y1212 WeakPolarHBondContact O-CB 3.43Å; K1208-Y1212 PolarHBondContact O-N 2.93Å
1209H60.6Low58.8Low56 Ų5681.5 Ų81.526%0.25939%0.392SS..Hα-helixtrans-61.1-43.9174.6-173.381.4000112.3I1204 D1205 K1207 Y1212 R1213I1204-H1209 HydrophobicContact CG2-CB 4.01Å; D1205-H1209 PolarHBondContact O-N 2.68Å; K1207-H1209 VanDerWaalsContact C-N 3.32Å; K1207-H1209 PolarHBondContact O-N 2.96Å; H1209-Y1212 PolarHBondContact O-N 3.34Å; H1209-R1213 VanDerWaalsContact O-CB 3.31Å; H1209-R1213 WeakPolarHBondContact O-CB 3.37Å; H1209-R1213 PolarHBondContact O-N 3.07Å
1210S61.7Low59Low53 Ų5378 Ų7837%0.37137%0.367SS..Hα-helixtrans-66.2-39.4178.2-1790000113.2P1206 K1207 K1214P1206-S1210 PolarHBondContact O-N 2.99Å; K1207-S1210 PolarHBondContact O-N 3.29Å; S1210-K1214 WeakPolarHBondContact O-CG 3.48Å; S1210-K1214 PolarHBondContact O-N 3.23Å; S1210-K1214 VanDerWaalsContact O-N 3.1Å
1211I62Low59.2Low61 Ų6176 Ų7631%0.31336%0.358SS..Hα-helixtrans-63.6-49176.3-69.1165.6000109.2I1142 K1207 K1208 R1213 K1214 L1215I1142-I1211 HydrophobicContact CD1-CG2 3.92Å; K1207-I1211 HydrophobicContact CG-CD1 4.35Å; K1207-I1211 WeakPolarHBondContact O-CG1 3.25Å; K1207-I1211 PolarHBondContact O-N 3.06Å; K1208-I1211 PolarHBondContact O-N 3.13Å; I1211-R1213 PolarHBondContact O-N 2.92Å; I1211-K1214 PolarHBondContact O-N 3.41Å; I1211-L1215 HydrophobicContact CG2-CD1 3.75Å; I1211-L1215 WeakPolarHBondContact O-CD1 3.17Å; I1211-L1215 WeakPolarHBondContact O-CG 3.39Å; I1211-L1215 PolarHBondContact O-N 3.03Å
1212Y61.3Low59.5Low7 Ų780.3 Ų80.33%0.02738%0.381CS..Hα-helixtrans-59.6-45.6178.4-174.6-84.8000112.3I1142 L1143 S1194 L1198 K1208 H1209 L1215 V1216I1142-Y1212 HydrophobicContact CG2-CD2 4.11Å; L1143-Y1212 HydrophobicContact CD1-CE2 4.3Å; L1143-Y1212 HydrophobicContact CD2-CD2 4.47Å; L1143-Y1212 HydrophobicContact CD2-CE2 3.62Å; L1143-Y1212 HydrophobicContact CG-CE2 3.88Å; S1194-Y1212 WeakPolarHBondContact CA-OH 3.35Å; S1194-Y1212 WeakPolarHBondContact CB-OH 3.35Å; S1194-Y1212 PolarHBondContact OG-OH 3.45Å; L1198-Y1212 HydrophobicContact CD1-CD1 3.48Å; L1198-Y1212 VanDerWaalsContact CD1-CD1 3.48Å; L1198-Y1212 HydrophobicContact CD1-CE1 3.31Å; L1198-Y1212 HydrophobicContact CD2-CD1 3.89Å; L1198-Y1212 HydrophobicContact CD2-CE1 4.23Å; L1198-Y1212 HydrophobicContact CD2-CG 4.44Å; L1198-Y1212 HydrophobicContact CG-CD1 3.99Å; L1198-Y1212 HydrophobicContact CG-CE1 3.84Å; K1208-Y1212 VanDerWaalsContact O-CB 3.27Å; K1208-Y1212 WeakPolarHBondContact O-CB 3.43Å; K1208-Y1212 PolarHBondContact O-N 2.93Å; H1209-Y1212 PolarHBondContact O-N 3.34Å; Y1212-L1215 PolarHBondContact O-N 3.45Å; Y1212-V1216 HydrophobicContact CD1-CG2 4.06Å; Y1212-V1216 HydrophobicContact CE1-CG2 3.42Å; Y1212-V1216 VanDerWaalsContact CE1-CG2 3.42Å; Y1212-V1216 PolarHBondContact O-N 2.89Å
1213R60.4Low59.8Low101 Ų10169.1 Ų69.138%0.38134%0.34SS..Hα-helixtrans-56.4-52176.2176.9-179.6175.5160.29.8111.7H1209 I1211 L1215 V1216 E1217 Y1248H1209-R1213 VanDerWaalsContact O-CB 3.31Å; H1209-R1213 WeakPolarHBondContact O-CB 3.37Å; H1209-R1213 PolarHBondContact O-N 3.07Å; I1211-R1213 PolarHBondContact O-N 2.92Å; R1213-L1215 PolarHBondContact O-N 3.44Å; R1213-V1216 PolarHBondContact O-N 3.5Å; R1213-E1217 HydrophobicContact CG-CG 4.48Å; R1213-E1217 VanDerWaalsContact CG-OE1 3.3Å; R1213-E1217 WeakPolarHBondContact CG-OE1 3.31Å; R1213-E1217 IonicContact CZ-OE1 3.59Å; R1213-E1217 IonicContact NE-OE1 2.77Å; R1213-E1217 PolarHBondContact NE-OE1 3.02Å; R1213-E1217 IonicContact NH2-OE1 3.53Å; R1213-E1217 WeakPolarHBondContact O-CG 3.22Å; R1213-E1217 PolarHBondContact O-N 2.97Å; R1213-Y1248 HydrophobicContact CG-CD1 3.94Å; R1213-Y1248 HydrophobicContact CG-CE1 4.4Å; R1213-Y1248 PolarHBondContact NH2-O 2.82Å
1214K62.8Low60.2Low141 Ų14166.3 Ų66.361%0.61333%0.328SS*.Hα-helixtrans-58.5-37.7178.5-79-178.4176.7-177.70112S1210 I1211 N1218S1210-K1214 WeakPolarHBondContact O-CG 3.48Å; S1210-K1214 PolarHBondContact O-N 3.23Å; S1210-K1214 VanDerWaalsContact O-N 3.1Å; I1211-K1214 PolarHBondContact O-N 3.41Å; K1214-N1218 VanDerWaalsContact O-CB 3.27Å; K1214-N1218 WeakPolarHBondContact O-CB 3.34Å; K1214-N1218 PolarHBondContact O-N 3.31Å
1215L59.5Low60.5Low65 Ų6564.7 Ų64.734%0.3432%0.32SS..Hα-helixtrans-68.9-42.8179.3-73.6162.7000112.4I1139 I1211 Y1212 R1213 N1218 Y1219I1139-L1215 HydrophobicContact CD1-CD1 4.46Å; I1139-L1215 HydrophobicContact CD1-CD2 4.41Å; I1139-L1215 HydrophobicContact CG1-CD1 4.03Å; I1211-L1215 HydrophobicContact CG2-CD1 3.75Å; I1211-L1215 WeakPolarHBondContact O-CD1 3.17Å; I1211-L1215 WeakPolarHBondContact O-CG 3.39Å; I1211-L1215 PolarHBondContact O-N 3.03Å; Y1212-L1215 PolarHBondContact O-N 3.45Å; R1213-L1215 PolarHBondContact O-N 3.44Å; L1215-N1218 PolarHBondContact O-N 3.27Å; L1215-Y1219 WeakPolarHBondContact O-CB 3.44Å; L1215-Y1219 PolarHBondContact O-N 2.88Å
1216V59.9Low60.7Low13 Ų1363 Ų638%0.07931%0.314CS..Hα-helixtrans-64.1-43.4174.4174.10000111L1191 Y1212 R1213 N1218 Y1219 L1220L1191-V1216 HydrophobicContact CD2-CG1 4.42Å; Y1212-V1216 HydrophobicContact CD1-CG2 4.06Å; Y1212-V1216 HydrophobicContact CE1-CG2 3.42Å; Y1212-V1216 VanDerWaalsContact CE1-CG2 3.42Å; Y1212-V1216 PolarHBondContact O-N 2.89Å; R1213-V1216 PolarHBondContact O-N 3.5Å; V1216-N1218 VanDerWaalsContact C-N 3.35Å; V1216-N1218 PolarHBondContact O-N 3.37Å; V1216-Y1219 PolarHBondContact O-N 3.31Å; V1216-L1220 HydrophobicContact CG1-CD1 3.94Å; V1216-L1220 HydrophobicContact CG1-CG 4.44Å; V1216-L1220 WeakPolarHBondContact O-CG 3.38Å; V1216-L1220 PolarHBondContact O-N 3.47Å
1217E59.2Low61Low45 Ų4558.4 Ų58.421%0.2128%0.283CS..Hα-helixtrans-57.2-48.6173.9-73.6168.5-179.100110.6R1213 Y1219 L1220 L1221 I1249R1213-E1217 HydrophobicContact CG-CG 4.48Å; R1213-E1217 VanDerWaalsContact CG-OE1 3.3Å; R1213-E1217 WeakPolarHBondContact CG-OE1 3.31Å; R1213-E1217 IonicContact CZ-OE1 3.59Å; R1213-E1217 IonicContact NE-OE1 2.77Å; R1213-E1217 PolarHBondContact NE-OE1 3.02Å; R1213-E1217 IonicContact NH2-OE1 3.53Å; R1213-E1217 WeakPolarHBondContact O-CG 3.22Å; R1213-E1217 PolarHBondContact O-N 2.97Å; E1217-Y1219 PolarHBondContact O-N 3.04Å; E1217-L1220 PolarHBondContact O-N 3.27Å; E1217-L1221 WeakPolarHBondContact O-CB 3.45Å; E1217-L1221 VanDerWaalsContact O-CG 3.25Å; E1217-L1221 WeakPolarHBondContact O-CG 3.47Å; E1217-L1221 PolarHBondContact O-N 3.09Å; E1217-I1249 HydrophobicContact CG-CG1 4.13Å
1218N59.8Low61.3Low87 Ų8752.3 Ų52.347%0.46526%0.256SS..Hα-helixtrans-64.5-37.8179.7-147.513.3000112.3K1214 L1215 V1216 N1222K1214-N1218 VanDerWaalsContact O-CB 3.27Å; K1214-N1218 WeakPolarHBondContact O-CB 3.34Å; K1214-N1218 PolarHBondContact O-N 3.31Å; L1215-N1218 PolarHBondContact O-N 3.27Å; V1216-N1218 VanDerWaalsContact C-N 3.35Å; V1216-N1218 PolarHBondContact O-N 3.37Å; N1218-N1222 WeakPolarHBondContact O-CB 3.34Å; N1218-N1222 VanDerWaalsContact O-CG 3.27Å; N1218-N1222 PolarHBondContact O-N 3.36Å; N1218-N1222 PolarHBondContact O-ND2 3Å; N1218-N1222 PolarHBondContact OD1-ND2 3.21Å
1219Y60.9Low61.6Low30 Ų3052.5 Ų52.512%0.11826%0.259CS..Hα-helixtrans-65.9-41.9175.3-172.9-85.8000112I1187 L1215 V1216 E1217 N1223I1187-Y1219 HydrophobicContact CG2-CE1 4.04Å; L1215-Y1219 WeakPolarHBondContact O-CB 3.44Å; L1215-Y1219 PolarHBondContact O-N 2.88Å; V1216-Y1219 PolarHBondContact O-N 3.31Å; E1217-Y1219 PolarHBondContact O-N 3.04Å; Y1219-N1223 WeakPolarHBondContact CD1-ND2 3.32Å; Y1219-N1223 WeakPolarHBondContact CD2-ND2 3.39Å; Y1219-N1223 WeakPolarHBondContact CE1-ND2 3.28Å; Y1219-N1223 WeakPolarHBondContact CE2-ND2 3.43Å; Y1219-N1223 VanDerWaalsContact CZ-ND2 3.32Å; Y1219-N1223 PolarHBondContact O-N 3.22Å; Y1219-N1223 PolarHBondContact O-ND2 2.81Å
1220L59.3Low61.9Low7 Ų751.2 Ų51.24%0.03726%0.261CS..Hα-helixtrans-69.3-33.5178.4-70171.6000112.4L1191 V1216 E1217 Y1227 L1245 I1249 W1254L1191-L1220 HydrophobicContact CD1-CD2 4.32Å; V1216-L1220 HydrophobicContact CG1-CD1 3.94Å; V1216-L1220 HydrophobicContact CG1-CG 4.44Å; V1216-L1220 WeakPolarHBondContact O-CG 3.38Å; V1216-L1220 PolarHBondContact O-N 3.47Å; E1217-L1220 PolarHBondContact O-N 3.27Å; L1220-Y1227 WeakPolarHBondContact CD2-OH 3.5Å; L1220-L1245 HydrophobicContact CD1-CD2 4.38Å; L1220-I1249 HydrophobicContact CB-CD1 4.32Å; L1220-I1249 HydrophobicContact CD1-CD1 3.62Å; L1220-W1254 PolarHBondContact O-NE1 3.04Å
1221L58.4Low61.9Low61 Ų6149.9 Ų49.932%0.31925%0.251SS..Hα-helixtrans-73.4-39.6177.3-71171.9000112.8E1217 W1254E1217-L1221 WeakPolarHBondContact O-CB 3.45Å; E1217-L1221 VanDerWaalsContact O-CG 3.25Å; E1217-L1221 WeakPolarHBondContact O-CG 3.47Å; E1217-L1221 PolarHBondContact O-N 3.09Å; L1221-W1254 HydrophobicContact CD2-CB 4.07Å; L1221-W1254 HydrophobicContact CD2-CG 4.23Å
1222N60Low62Low111 Ų11153.4 Ų53.459%0.59428%0.275SS*.Hα-helixtrans-92.2-9.3-169.9-66.2-39000115.5N1218N1218-N1222 WeakPolarHBondContact O-CB 3.34Å; N1218-N1222 VanDerWaalsContact O-CG 3.27Å; N1218-N1222 PolarHBondContact O-N 3.36Å; N1218-N1222 PolarHBondContact O-ND2 3Å; N1218-N1222 PolarHBondContact OD1-ND2 3.21Å
1223N59.9Low62.2Low17 Ų1758.4 Ų58.49%0.09130%0.303CS..SBendtrans-104.1143.9-178.9-71.6-67.8000112.4K1176 Y1219 P1225K1176-N1223 WeakPolarHBondContact CG-OD1 3.47Å; Y1219-N1223 WeakPolarHBondContact CD1-ND2 3.32Å; Y1219-N1223 WeakPolarHBondContact CD2-ND2 3.39Å; Y1219-N1223 WeakPolarHBondContact CE1-ND2 3.28Å; Y1219-N1223 WeakPolarHBondContact CE2-ND2 3.43Å; Y1219-N1223 VanDerWaalsContact CZ-ND2 3.32Å; Y1219-N1223 PolarHBondContact O-N 3.22Å; Y1219-N1223 PolarHBondContact O-ND2 2.81Å; N1223-P1225 WeakPolarHBondContact O-CD 3.49Å
1224F62Low62.6Low135 Ų13554.2 Ų54.259%0.59229%0.289SS*.  trans-62.7124.6176.6-69.1-82.8000110.8S1226 Y1227 N1262F1224-S1226 PolarHBondContact O-N 3.45Å; F1224-Y1227 VanDerWaalsContact O-CD1 3.32Å; F1224-Y1227 WeakPolarHBondContact O-CD1 3.45Å; F1224-N1262 WeakPolarHBondContact CD1-OD1 3.35Å
1225P63.9Low62.6Low1 Ų150.1 Ų50.11%0.00628%0.275CS..THydrogen-bonded Turntrans-68.47-178.125.7-33.7000114.9N1223 Y1227 L1228 W1254 N1262 H1265 I1266N1223-P1225 WeakPolarHBondContact O-CD 3.49Å; P1225-Y1227 PolarHBondContact O-N 2.96Å; P1225-L1228 HydrophobicContact CB-CD1 3.99Å; P1225-L1228 VanDerWaalsContact O-CB 3.31Å; P1225-L1228 WeakPolarHBondContact O-CB 3.42Å; P1225-L1228 PolarHBondContact O-N 3.02Å; P1225-W1254 HydrophobicContact CB-CZ2 4.43Å; P1225-N1262 VanDerWaalsContact CD-CG 3.42Å; P1225-N1262 WeakPolarHBondContact CD-OD1 3.44Å; P1225-N1262 HydrophobicContact CG-CB 3.64Å; P1225-H1265 HydrophobicContact CB-CB 4.41Å; P1225-H1265 HydrophobicContact CG-CB 4.3Å; P1225-I1266 HydrophobicContact CB-CD1 4.35Å; P1225-I1266 HydrophobicContact CB-CG1 3.76Å; P1225-I1266 HydrophobicContact CG-CD1 4.12Å; P1225-I1266 HydrophobicContact CG-CG1 3.87Å
1226S63.8Low62.7Low40 Ų4051.3 Ų51.328%0.2829%0.286SS..Hα-helixtrans-57.7-29.4177.4540000113F1224 L1228 I1229F1224-S1226 PolarHBondContact O-N 3.45Å; S1226-L1228 PolarHBondContact O-N 3.23Å; S1226-L1228 VanDerWaalsContact O-N 3.16Å; S1226-I1229 WeakPolarHBondContact O-CG1 3.17Å; S1226-I1229 PolarHBondContact O-N 3Å
1227Y65.5Low62.8Low11 Ų1151.2 Ų51.24%0.04329%0.286CS..Hα-helixtrans-62.4-23176.375.2-88.4000113.8F1184 I1187 K1188 L1191 L1220 F1224 P1225F1184-Y1227 VanDerWaalsContact CD1-CA 3.4Å; F1184-Y1227 HydrophobicContact CD1-CG 4.44Å; F1184-Y1227 VanDerWaalsContact CE1-CB 3.48Å; I1187-Y1227 HydrophobicContact CG2-CD2 4.36Å; I1187-Y1227 HydrophobicContact CG2-CE2 4.28Å; K1188-Y1227 WeakPolarHBondContact CE-O 3.37Å; K1188-Y1227 HydrophobicContact CG-CD2 4.35Å; K1188-Y1227 PolarHBondContact NZ-O 3.38Å; L1191-Y1227 HydrophobicContact CD1-CE2 4.35Å; L1220-Y1227 WeakPolarHBondContact CD2-OH 3.5Å; F1224-Y1227 VanDerWaalsContact O-CD1 3.32Å; F1224-Y1227 WeakPolarHBondContact O-CD1 3.45Å; P1225-Y1227 PolarHBondContact O-N 2.96Å
1228L66.7Low63.1Low1 Ų149.1 Ų49.11%0.00528%0.277CS..Hα-helixtrans-69.5-34.5-178.7-64.4175000111.6K1188 P1225 S1226 V1241 W1254 W1269K1188-L1228 PolarHBondContact NZ-O 2.84Å; P1225-L1228 HydrophobicContact CB-CD1 3.99Å; P1225-L1228 VanDerWaalsContact O-CB 3.31Å; P1225-L1228 WeakPolarHBondContact O-CB 3.42Å; P1225-L1228 PolarHBondContact O-N 3.02Å; S1226-L1228 PolarHBondContact O-N 3.23Å; S1226-L1228 VanDerWaalsContact O-N 3.16Å; L1228-V1241 HydrophobicContact CD2-CG1 4.05Å; L1228-W1254 HydrophobicContact CD1-CH2 4.17Å; L1228-W1269 HydrophobicContact CB-CB 4.06Å; L1228-W1269 HydrophobicContact CB-CD2 4.02Å; L1228-W1269 HydrophobicContact CB-CG 3.66Å; L1228-W1269 HydrophobicContact CD1-CD2 4.09Å; L1228-W1269 HydrophobicContact CD1-CE3 4.08Å; L1228-W1269 HydrophobicContact CD1-CG 4.47Å; L1228-W1269 HydrophobicContact CD1-CZ3 4.45Å; L1228-W1269 HydrophobicContact CD2-CD2 4.42Å; L1228-W1269 HydrophobicContact CD2-CZ2 4.1Å; L1228-W1269 HydrophobicContact CG-CD2 4.42Å
1229I65.7Low63.4Low59 Ų5947.4 Ų47.430%0.30327%0.267SS..Hα-helixtrans-85.1-11-176.457.1161.9000114.5S1226 T1231 H1265 V1268 W1269S1226-I1229 WeakPolarHBondContact O-CG1 3.17Å; S1226-I1229 PolarHBondContact O-N 3Å; I1229-T1231 PolarHBondContact O-N 2.76Å; I1229-H1265 VanDerWaalsContact CD1-CD2 3.48Å; I1229-H1265 WeakPolarHBondContact CD1-CD2 3.39Å; I1229-H1265 HydrophobicContact CG2-CB 4.42Å; I1229-H1265 VanDerWaalsContact CG2-O 3.32Å; I1229-H1265 WeakPolarHBondContact CG2-O 3.08Å; I1229-V1268 HydrophobicContact CG2-CB 4.05Å; I1229-V1268 HydrophobicContact CG2-CG1 3.79Å; I1229-W1269 HydrophobicContact CG2-CB 4.11Å
1230G66.2Low63.4Low29 Ų2947.1 Ų47.130%0.29927%0.267SS..SBendtrans-66.1-0.7-171.700000117.4
1231T62.3Low63.8Low26 Ų2647 Ų4716%0.1627%0.266CS..  trans-112.3152177.357.80000110.8K1188 I1229 N1233 T1235 K1272K1188-T1231 PolarHBondContact NZ-OG1 3.02Å; I1229-T1231 PolarHBondContact O-N 2.76Å; T1231-N1233 PolarHBondContact OG1-O 3.16Å; T1231-T1235 HydrophobicContact CG2-CG2 4.47Å; T1231-K1272 VanDerWaalsContact C-NZ 3.25Å; T1231-K1272 VanDerWaalsContact O-CE 3.3Å; T1231-K1272 WeakPolarHBondContact O-CE 3.23Å; T1231-K1272 PolarHBondContact O-NZ 2.82Å; T1231-K1272 PolarHBondContact OG1-NZ 3.32Å
1232T64.7Low64.1Low134 Ų13444.5 Ų44.582%0.82226%0.255SS*.SBendtrans-82.3-35.9178.330.10000113.8K1272T1232-K1272 VanDerWaalsContact C-CE 3.47Å; T1232-K1272 WeakPolarHBondContact O-CE 3.2Å
1233N65.2Low64.2Low113 Ų11345.1 Ų45.160%0.60425%0.25SC*.SBendtrans-114.4150.9173.5-70.8-43.9000110.4T1231 T1235 K1272T1231-N1233 PolarHBondContact OG1-O 3.16Å; N1233-T1235 PolarHBondContact O-N 3.48Å; N1233-K1272 PolarHBondContact O-NZ 3.41Å
1234P67.9Low64.2Low13 Ų1344.6 Ų44.68%0.08425%0.247CC..  trans-60.2130.7167.9-29.341.2000111.8D1238 K1272 L1273 Y1276P1234-D1238 HydrophobicContact CB-CB 4.34Å; P1234-K1272 HydrophobicContact CG-CG 4.14Å; P1234-L1273 HydrophobicContact CB-CD2 3.76Å; P1234-L1273 HydrophobicContact CG-CD2 3.99Å; P1234-Y1276 HydrophobicContact CB-CD1 3.96Å; P1234-Y1276 HydrophobicContact CB-CE1 4.35Å; P1234-Y1276 HydrophobicContact CB-CG 4.05Å; P1234-Y1276 VanDerWaalsContact CG-CB 3.48Å; P1234-Y1276 HydrophobicContact CG-CD1 3.97Å; P1234-Y1276 HydrophobicContact CG-CD2 4.12Å; P1234-Y1276 HydrophobicContact CG-CG 3.6Å
1235T63.9Low64.2Low54 Ų5438.6 Ų38.633%0.33122%0.221SC..  trans-97.116617464.40000109.9T1231 N1233 A1237 D1238 I1239T1231-T1235 HydrophobicContact CG2-CG2 4.47Å; N1233-T1235 PolarHBondContact O-N 3.48Å; T1235-A1237 PolarHBondContact O-N 3.27Å; T1235-A1237 VanDerWaalsContact O-N 3.1Å; T1235-A1237 PolarHBondContact OG1-N 3.17Å; T1235-D1238 WeakPolarHBondContact CB-OD2 3.47Å; T1235-D1238 PolarHBondContact N-OD2 2.58Å; T1235-D1238 WeakPolarHBondContact O-CB 3.32Å; T1235-D1238 PolarHBondContact O-N 3.13Å; T1235-D1238 PolarHBondContact OG1-N 3.31Å; T1235-D1238 PolarHBondContact OG1-OD2 3.03Å; T1235-I1239 PolarHBondContact O-N 3.23Å
1236T60.7Low64Low91 Ų9144.8 Ų44.856%0.55825%0.253SS*.Hα-helixtrans-52-33.2170.5-47.80000111.9I1239 I1240T1236-I1239 PolarHBondContact O-N 3.29Å; T1236-I1240 HydrophobicContact CG2-CD1 3.83Å; T1236-I1240 WeakPolarHBondContact O-CB 3.07Å; T1236-I1240 WeakPolarHBondContact O-CD1 3.11Å; T1236-I1240 WeakPolarHBondContact O-CG1 3.24Å; T1236-I1240 PolarHBondContact O-N 3.49Å
1237A62.1Low63.8Low11 Ų1147.7 Ų47.79%0.09126%0.262CS..Hα-helixtrans-68.7-37.8176.600000112.9K1188 T1235 I1239 I1240 V1241K1188-A1237 HydrophobicContact CB-CB 3.65Å; K1188-A1237 HydrophobicContact CG-CB 4.41Å; K1188-A1237 WeakPolarHBondContact O-CB 3.33Å; T1235-A1237 PolarHBondContact O-N 3.27Å; T1235-A1237 VanDerWaalsContact O-N 3.1Å; T1235-A1237 PolarHBondContact OG1-N 3.17Å; A1237-I1239 VanDerWaalsContact C-N 3.31Å; A1237-I1239 PolarHBondContact O-N 3.13Å; A1237-I1240 PolarHBondContact O-N 3.3Å; A1237-V1241 WeakPolarHBondContact O-CG2 3.42Å; A1237-V1241 PolarHBondContact O-N 3.32Å
1238D66.5Low63.4Low1 Ų150.2 Ų50.21%0.00527%0.272CS..Hα-helixtrans-61.7-41.7174.5-63.8-72.3000111.1K1188 P1234 T1235 I1240 V1241 A1242 W1269 L1273K1188-D1238 WeakPolarHBondContact CE-OD1 3.23Å; K1188-D1238 IonicContact NZ-OD1 3.59Å; K1188-D1238 PolarHBondContact NZ-OD1 3.22Å; K1188-D1238 IonicContact NZ-OD2 2.71Å; P1234-D1238 HydrophobicContact CB-CB 4.34Å; T1235-D1238 WeakPolarHBondContact CB-OD2 3.47Å; T1235-D1238 PolarHBondContact N-OD2 2.58Å; T1235-D1238 WeakPolarHBondContact O-CB 3.32Å; T1235-D1238 PolarHBondContact O-N 3.13Å; T1235-D1238 PolarHBondContact OG1-N 3.31Å; T1235-D1238 PolarHBondContact OG1-OD2 3.03Å; D1238-I1240 VanDerWaalsContact C-N 3.34Å; D1238-I1240 PolarHBondContact O-N 2.86Å; D1238-V1241 PolarHBondContact O-N 3.3Å; D1238-A1242 WeakPolarHBondContact O-CB 3.36Å; D1238-A1242 PolarHBondContact O-N 3.09Å; D1238-W1269 HydrophobicContact CB-CZ2 4.36Å; D1238-W1269 WeakPolarHBondContact O-CZ2 3.46Å; D1238-W1269 PolarHBondContact OD1-NE1 2.97Å; D1238-L1273 HydrophobicContact CB-CD2 4Å
1239I65.6Low62.7Low51 Ų5151.4 Ų51.426%0.26228%0.278SS..Hα-helixtrans-64.1-40.8176.8-54.8-178000111.1T1235 T1236 A1237 A1242 Y1243 F1277 M1283T1235-I1239 PolarHBondContact O-N 3.23Å; T1236-I1239 PolarHBondContact O-N 3.29Å; A1237-I1239 VanDerWaalsContact C-N 3.31Å; A1237-I1239 PolarHBondContact O-N 3.13Å; I1239-A1242 PolarHBondContact O-N 3.33Å; I1239-Y1243 PolarHBondContact O-N 2.6Å; I1239-F1277 HydrophobicContact CD1-CE1 4.15Å; I1239-F1277 HydrophobicContact CD1-CZ 3.85Å; I1239-F1277 HydrophobicContact CG1-CZ 3.76Å; I1239-F1277 HydrophobicContact CG2-CZ 4.21Å; I1239-M1283 HydrophobicContact CD1-CE 3.68Å; I1239-M1283 HydrophobicContact CD1-SD 4.34Å
1240I61.2Low62.4Low23 Ų2353.4 Ų53.412%0.11829%0.289CS..Hα-helixtrans-71-40.3-178.9-70.5165.6000111.6S1192 I1195 T1236 A1237 D1238 A1242 Y1243 T1244S1192-I1240 WeakPolarHBondContact OG-CD1 3.34Å; I1195-I1240 HydrophobicContact CB-CG2 3.81Å; I1195-I1240 HydrophobicContact CD1-CG2 3.38Å; I1195-I1240 HydrophobicContact CG1-CG2 4.19Å; I1195-I1240 HydrophobicContact CG2-CG2 3.91Å; T1236-I1240 HydrophobicContact CG2-CD1 3.83Å; T1236-I1240 WeakPolarHBondContact O-CB 3.07Å; T1236-I1240 WeakPolarHBondContact O-CD1 3.11Å; T1236-I1240 WeakPolarHBondContact O-CG1 3.24Å; T1236-I1240 PolarHBondContact O-N 3.49Å; A1237-I1240 PolarHBondContact O-N 3.3Å; D1238-I1240 VanDerWaalsContact C-N 3.34Å; D1238-I1240 PolarHBondContact O-N 2.86Å; I1240-A1242 VanDerWaalsContact C-N 3.32Å; I1240-A1242 PolarHBondContact O-N 2.9Å; I1240-Y1243 PolarHBondContact O-N 2.88Å; I1240-T1244 PolarHBondContact O-N 3.32Å
1241V67.1Low61.9Low4 Ų459 Ų592%0.02430%0.302CS..Hα-helixtrans-60.1-44.5172.1173.40000110.2L1191 L1228 A1237 D1238 Y1243 T1244 L1245 W1269L1191-V1241 HydrophobicContact CB-CG2 4.16Å; L1191-V1241 HydrophobicContact CD1-CG2 3.83Å; L1228-V1241 HydrophobicContact CD2-CG1 4.05Å; A1237-V1241 WeakPolarHBondContact O-CG2 3.42Å; A1237-V1241 PolarHBondContact O-N 3.32Å; D1238-V1241 PolarHBondContact O-N 3.3Å; V1241-Y1243 VanDerWaalsContact C-N 3.35Å; V1241-Y1243 PolarHBondContact O-N 3.09Å; V1241-T1244 PolarHBondContact O-N 2.96Å; V1241-L1245 HydrophobicContact CG1-CD1 4.15Å; V1241-L1245 HydrophobicContact CG1-CG 4.44Å; V1241-L1245 WeakPolarHBondContact O-CG 3.32Å; V1241-L1245 PolarHBondContact O-N 3.25Å; V1241-W1269 HydrophobicContact CB-CH2 4.16Å; V1241-W1269 HydrophobicContact CB-CZ2 4.07Å; V1241-W1269 HydrophobicContact CG1-CH2 3.74Å; V1241-W1269 HydrophobicContact CG1-CZ2 3.97Å
1242A65.8Low61.8Low10 Ų1060.9 Ų60.98%0.08332%0.317CS..Hα-helixtrans-60-42.9175.900000112.3D1238 I1239 I1240 T1244 L1245 I1246 W1269 L1273D1238-A1242 WeakPolarHBondContact O-CB 3.36Å; D1238-A1242 PolarHBondContact O-N 3.09Å; I1239-A1242 PolarHBondContact O-N 3.33Å; I1240-A1242 VanDerWaalsContact C-N 3.32Å; I1240-A1242 PolarHBondContact O-N 2.9Å; A1242-T1244 PolarHBondContact O-N 3.06Å; A1242-L1245 PolarHBondContact O-N 3.09Å; A1242-I1246 WeakPolarHBondContact O-CG1 3.35Å; A1242-I1246 PolarHBondContact O-N 3.48Å; A1242-I1246 VanDerWaalsContact O-N 3.14Å; A1242-W1269 HydrophobicContact CB-CH2 3.89Å; A1242-W1269 HydrophobicContact CB-CZ2 4.47Å; A1242-L1273 HydrophobicContact CB-CD1 3.95Å
1243Y62.6Low61.4Low123 Ų12360.3 Ų60.348%0.48231%0.305SS..Hα-helixtrans-60.4-42.9175.4-179.7-99.3000112.5I1239 I1240 V1241 I1246 Q1247I1239-Y1243 PolarHBondContact O-N 2.6Å; I1240-Y1243 PolarHBondContact O-N 2.88Å; V1241-Y1243 VanDerWaalsContact C-N 3.35Å; V1241-Y1243 PolarHBondContact O-N 3.09Å; Y1243-I1246 PolarHBondContact O-N 3.14Å; Y1243-Q1247 HydrophobicContact CD1-CG 4.19Å; Y1243-Q1247 HydrophobicContact CE1-CG 3.75Å; Y1243-Q1247 HydrophobicContact CE2-CG 4.12Å; Y1243-Q1247 WeakPolarHBondContact O-CG 3.47Å; Y1243-Q1247 PolarHBondContact O-N 3.24Å; Y1243-Q1247 VanDerWaalsContact O-N 3.07Å
1244T59.4Low61Low6 Ų655.2 Ų55.24%0.03728%0.277CS..Hα-helixtrans-68.8-38.4178.5-73.90000113.1I1195 I1240 V1241 A1242 I1246 Q1247 Y1248I1195-T1244 HydrophobicContact CD1-CG2 4.03Å; I1195-T1244 WeakPolarHBondContact CD1-OG1 3.06Å; I1195-T1244 HydrophobicContact CG1-CG2 4.42Å; I1195-T1244 WeakPolarHBondContact CG1-OG1 3.48Å; I1240-T1244 PolarHBondContact O-N 3.32Å; V1241-T1244 PolarHBondContact O-N 2.96Å; A1242-T1244 PolarHBondContact O-N 3.06Å; T1244-I1246 PolarHBondContact O-N 3.31Å; T1244-Q1247 PolarHBondContact O-N 3.31Å; T1244-Y1248 HydrophobicContact CG2-CD2 3.92Å; T1244-Y1248 PolarHBondContact O-N 2.86Å
1245L60.9Low60.5Low10 Ų1057.9 Ų57.95%0.05229%0.29CS..Hα-helixtrans-58.4-38.8172.4-70.5170.5000111.3L1220 V1241 A1242 I1249 W1254 W1269L1220-L1245 HydrophobicContact CD1-CD2 4.38Å; V1241-L1245 HydrophobicContact CG1-CD1 4.15Å; V1241-L1245 HydrophobicContact CG1-CG 4.44Å; V1241-L1245 WeakPolarHBondContact O-CG 3.32Å; V1241-L1245 PolarHBondContact O-N 3.25Å; A1242-L1245 PolarHBondContact O-N 3.09Å; L1245-I1249 HydrophobicContact CD2-CD1 3.81Å; L1245-W1254 HydrophobicContact CD1-CH2 4.03Å; L1245-W1254 HydrophobicContact CD1-CZ3 3.79Å; L1245-W1254 HydrophobicContact CD2-CE3 4.02Å; L1245-W1254 HydrophobicContact CD2-CH2 4.16Å; L1245-W1254 HydrophobicContact CD2-CZ3 3.83Å; L1245-W1254 HydrophobicContact CG-CZ3 4.48Å; L1245-W1269 HydrophobicContact CD1-CH2 3.87Å; L1245-W1269 HydrophobicContact CD1-CZ3 3.69Å
1246I61.2Low60.4Low131 Ų13159 Ų5967%0.67230%0.3SS*.Hα-helixtrans-68.5-38.2176.8-66.5165000112.1A1242 Y1243 T1244A1242-I1246 WeakPolarHBondContact O-CG1 3.35Å; A1242-I1246 PolarHBondContact O-N 3.48Å; A1242-I1246 VanDerWaalsContact O-N 3.14Å; Y1243-I1246 PolarHBondContact O-N 3.14Å; T1244-I1246 PolarHBondContact O-N 3.31Å
1247Q59Low60.3Low101 Ų10158.8 Ų58.847%0.47230%0.299SS..Hα-helixtrans-82.9-30.7-173.2-71.7-67.1-30.100114.1Y1243 T1244Y1243-Q1247 HydrophobicContact CD1-CG 4.19Å; Y1243-Q1247 HydrophobicContact CE1-CG 3.75Å; Y1243-Q1247 HydrophobicContact CE2-CG 4.12Å; Y1243-Q1247 WeakPolarHBondContact O-CG 3.47Å; Y1243-Q1247 PolarHBondContact O-N 3.24Å; Y1243-Q1247 VanDerWaalsContact O-N 3.07Å; T1244-Q1247 PolarHBondContact O-N 3.31Å
1248Y57Low59.9Low64 Ų6459.3 Ų59.325%0.25130%0.3SS..Hα-helixtrans-119.9-24.3-161.3-69.9-84000115.8R1213 T1244R1213-Y1248 HydrophobicContact CG-CD1 3.94Å; R1213-Y1248 HydrophobicContact CG-CE1 4.4Å; R1213-Y1248 PolarHBondContact NH2-O 2.82Å; T1244-Y1248 HydrophobicContact CG2-CD2 3.92Å; T1244-Y1248 PolarHBondContact O-N 2.86Å
1249I52.6Low59.6Low25 Ų2564.5 Ų64.513%0.12833%0.328CS..  trans-119134.6-168-66.4160.6000111.1E1217 L1220 L1245 Y1251 W1254E1217-I1249 HydrophobicContact CG-CG1 4.13Å; L1220-I1249 HydrophobicContact CB-CD1 4.32Å; L1220-I1249 HydrophobicContact CD1-CD1 3.62Å; L1245-I1249 HydrophobicContact CD2-CD1 3.81Å; I1249-Y1251 PolarHBondContact O-N 2.9Å; I1249-W1254 HydrophobicContact CG2-CB 4.3Å
1250D58.5Low59.6Low101 Ų10167.7 Ų67.754%0.5435%0.345SS..  trans-68.789.1157.5-172.9-4.5000107.9S1252 E1253D1250-S1252 PolarHBondContact O-N 3Å; D1250-S1252 WeakPolarHBondContact OD1-CB 3.37Å; D1250-S1252 PolarHBondContact OD1-N 3.03Å; D1250-S1252 PolarHBondContact OD1-OG 2.77Å; D1250-E1253 PolarHBondContact O-N 2.82Å
1251Y55.7Low59.6Low146 Ų14671.7 Ų71.757%0.57337%0.367SS*.Hα-helixtrans-58.8-18.6-174.851.5-90.8000112.8I1249 E1253 W1254 I1255I1249-Y1251 PolarHBondContact O-N 2.9Å; Y1251-E1253 VanDerWaalsContact C-N 3.25Å; Y1251-E1253 PolarHBondContact O-N 3.42Å; Y1251-W1254 PolarHBondContact O-N 2.8Å; Y1251-I1255 HydrophobicContact CD2-CD1 4.35Å; Y1251-I1255 WeakPolarHBondContact O-CB 3.3Å; Y1251-I1255 VanDerWaalsContact O-CG1 3.26Å; Y1251-I1255 WeakPolarHBondContact O-CG1 3.39Å; Y1251-I1255 PolarHBondContact O-N 3.31Å
1252S59.5Low59.5Low66 Ų6671.9 Ų71.946%0.46237%0.368SS..Hα-helixtrans-53.9-45.2172.7-38.10000110.9D1250 S1256D1250-S1252 PolarHBondContact O-N 3Å; D1250-S1252 WeakPolarHBondContact OD1-CB 3.37Å; D1250-S1252 PolarHBondContact OD1-N 3.03Å; D1250-S1252 PolarHBondContact OD1-OG 2.77Å; S1252-S1256 VanDerWaalsContact O-CB 3.3Å; S1252-S1256 WeakPolarHBondContact O-CB 3.45Å; S1252-S1256 PolarHBondContact O-N 2.85Å; S1252-S1256 VanDerWaalsContact O-N 3.1Å; S1252-S1256 PolarHBondContact O-OG 2.8Å
1253E57.8Low59.6Low122 Ų12274.9 Ų74.957%0.5738%0.379SS*.Hα-helixtrans-72.6-45.8-176.4-161.3171.9-16300110.7D1250 Y1251 I1255 S1256 T1257D1250-E1253 PolarHBondContact O-N 2.82Å; Y1251-E1253 VanDerWaalsContact C-N 3.25Å; Y1251-E1253 PolarHBondContact O-N 3.42Å; E1253-I1255 VanDerWaalsContact C-N 3.33Å; E1253-I1255 PolarHBondContact O-N 2.69Å; E1253-S1256 WeakPolarHBondContact CA-OG 3.35Å; E1253-S1256 PolarHBondContact O-N 2.69Å; E1253-S1256 PolarHBondContact O-OG 3.49Å; E1253-T1257 HydrophobicContact CG-CG2 4.29Å; E1253-T1257 WeakPolarHBondContact O-CG2 3.49Å; E1253-T1257 PolarHBondContact O-N 2.75Å; E1253-T1257 PolarHBondContact O-OG1 3.2Å
1254W56.2Low60.1Low6 Ų675.2 Ų75.22%0.02339%0.385CS..Hα-helixtrans-61.6-35.9178.4-175.652.3000114L1220 L1221 P1225 L1228 L1245 I1249 Y1251 T1257 N1258 I1266L1220-W1254 PolarHBondContact O-NE1 3.04Å; L1221-W1254 HydrophobicContact CD2-CB 4.07Å; L1221-W1254 HydrophobicContact CD2-CG 4.23Å; P1225-W1254 HydrophobicContact CB-CZ2 4.43Å; L1228-W1254 HydrophobicContact CD1-CH2 4.17Å; L1245-W1254 HydrophobicContact CD1-CH2 4.03Å; L1245-W1254 HydrophobicContact CD1-CZ3 3.79Å; L1245-W1254 HydrophobicContact CD2-CE3 4.02Å; L1245-W1254 HydrophobicContact CD2-CH2 4.16Å; L1245-W1254 HydrophobicContact CD2-CZ3 3.83Å; L1245-W1254 HydrophobicContact CG-CZ3 4.48Å; I1249-W1254 HydrophobicContact CG2-CB 4.3Å; Y1251-W1254 PolarHBondContact O-N 2.8Å; W1254-T1257 PolarHBondContact O-OG1 3.21Å; W1254-N1258 PolarHBondContact O-ND2 3.18Å; W1254-N1258 VanDerWaalsContact O-ND2 3.12Å; W1254-I1266 HydrophobicContact CD2-CD1 4.2Å; W1254-I1266 HydrophobicContact CE3-CD1 4.06Å; W1254-I1266 HydrophobicContact CH2-CD1 3.71Å; W1254-I1266 HydrophobicContact CH2-CG1 3.78Å; W1254-I1266 HydrophobicContact CH2-CG2 4.33Å; W1254-I1266 HydrophobicContact CZ2-CD1 3.85Å; W1254-I1266 HydrophobicContact CZ2-CG1 4.19Å; W1254-I1266 HydrophobicContact CZ3-CD1 3.81Å; W1254-I1266 HydrophobicContact CZ3-CG1 4.14Å; W1254-I1266 HydrophobicContact CZ3-CG2 3.99Å
1255I57.7Low60.8Low70 Ų7077.4 Ų77.436%0.35940%0.395SS..Hα-helixtrans-72.6-36173.6-65.6168.6000110.2Y1251 E1253 K1263Y1251-I1255 HydrophobicContact CD2-CD1 4.35Å; Y1251-I1255 WeakPolarHBondContact O-CB 3.3Å; Y1251-I1255 VanDerWaalsContact O-CG1 3.26Å; Y1251-I1255 WeakPolarHBondContact O-CG1 3.39Å; Y1251-I1255 PolarHBondContact O-N 3.31Å; E1253-I1255 VanDerWaalsContact C-N 3.33Å; E1253-I1255 PolarHBondContact O-N 2.69Å; I1255-K1263 HydrophobicContact CG2-CG 4.47Å; I1255-K1263 WeakPolarHBondContact O-CE 3.36Å
1256S60.7Low61.3Low77 Ų7777.2 Ų77.254%0.53839%0.394SS..Hα-helixtrans-74.5-35.2-175.674.30000114.3S1252 E1253 N1258S1252-S1256 VanDerWaalsContact O-CB 3.3Å; S1252-S1256 WeakPolarHBondContact O-CB 3.45Å; S1252-S1256 PolarHBondContact O-N 2.85Å; S1252-S1256 VanDerWaalsContact O-N 3.1Å; S1252-S1256 PolarHBondContact O-OG 2.8Å; E1253-S1256 WeakPolarHBondContact CA-OG 3.35Å; E1253-S1256 PolarHBondContact O-N 2.69Å; E1253-S1256 PolarHBondContact O-OG 3.49Å; S1256-N1258 VanDerWaalsContact C-N 3.29Å; S1256-N1258 PolarHBondContact O-N 2.73Å
1257T58.7Low61.9Low87 Ų8774.9 Ų74.953%0.53439%0.385SS..SBendtrans-78.2-11-172.246.70000114.3E1253 W1254E1253-T1257 HydrophobicContact CG-CG2 4.29Å; E1253-T1257 WeakPolarHBondContact O-CG2 3.49Å; E1253-T1257 PolarHBondContact O-N 2.75Å; E1253-T1257 PolarHBondContact O-OG1 3.2Å; W1254-T1257 PolarHBondContact O-OG1 3.21Å
1258N54.1Low62.9Low22 Ų2273.4 Ų73.412%0.11838%0.383CS..SBendtrans-108.4136.4-165.9-93.1-48.4000112.6W1254 S1256 N1262 K1263W1254-N1258 PolarHBondContact O-ND2 3.18Å; W1254-N1258 VanDerWaalsContact O-ND2 3.12Å; S1256-N1258 VanDerWaalsContact C-N 3.29Å; S1256-N1258 PolarHBondContact O-N 2.73Å; N1258-N1262 HydrophobicContact CB-CB 3.66Å; N1258-N1262 PolarHBondContact OD1-ND2 2.77Å; N1258-K1263 WeakPolarHBondContact O-CE 3.22Å
1259D59.9Low64Low110 Ų11070.4 Ų70.459%0.58837%0.371SS*.  trans-49.1154.6178.7-163.60.6000112.1N1261 N1262 K1263D1259-N1261 PolarHBondContact O-N 3.08Å; D1259-N1262 WeakPolarHBondContact O-CA 3.21Å; D1259-N1262 WeakPolarHBondContact O-CB 3.28Å; D1259-N1262 PolarHBondContact O-N 3.42Å; D1259-K1263 PolarHBondContact O-N 3.42Å
1260N65.4Low65.2Low118 Ų11873.8 Ų73.863%0.63139%0.385SS*.Hα-helixtrans-54.2-33-174-90.2-15.1000112.9Q1264N1260-Q1264 PolarHBondContact O-N 3.03Å
1261N62.9Low66.1Low106 Ų10673.2 Ų73.257%0.56738%0.382SS*.Hα-helixtrans-64.8-38174.8-74.5-21.8000113D1259 Q1264 H1265D1259-N1261 PolarHBondContact O-N 3.08Å; N1261-Q1264 PolarHBondContact O-N 2.82Å; N1261-H1265 PolarHBondContact O-N 3.12Å; N1261-H1265 VanDerWaalsContact O-N 3.11Å
1262N63.2Low67.2Low8 Ų868 Ų684%0.04336%0.362CS..Hα-helixtrans-70-41.6179.4-74.5-5.7000111.3F1224 P1225 N1258 D1259 Q1264 H1265 I1266F1224-N1262 WeakPolarHBondContact CD1-OD1 3.35Å; P1225-N1262 VanDerWaalsContact CD-CG 3.42Å; P1225-N1262 WeakPolarHBondContact CD-OD1 3.44Å; P1225-N1262 HydrophobicContact CG-CB 3.64Å; N1258-N1262 HydrophobicContact CB-CB 3.66Å; N1258-N1262 PolarHBondContact OD1-ND2 2.77Å; D1259-N1262 WeakPolarHBondContact O-CA 3.21Å; D1259-N1262 WeakPolarHBondContact O-CB 3.28Å; D1259-N1262 PolarHBondContact O-N 3.42Å; N1262-Q1264 PolarHBondContact O-N 3.03Å; N1262-H1265 PolarHBondContact O-N 3.12Å; N1262-I1266 WeakPolarHBondContact O-CG1 3.36Å; N1262-I1266 PolarHBondContact O-N 2.68Å; N1262-I1266 VanDerWaalsContact O-N 3.09Å
1263K67.7Low68.1Low74 Ų7465 Ų6532%0.32234%0.341SS..Hα-helixtrans-55.5-43.1171.5-72.2176.2179.6165.50111I1255 N1258 D1259 I1266 V1267I1255-K1263 HydrophobicContact CG2-CG 4.47Å; I1255-K1263 WeakPolarHBondContact O-CE 3.36Å; N1258-K1263 WeakPolarHBondContact O-CE 3.22Å; D1259-K1263 PolarHBondContact O-N 3.42Å; K1263-I1266 PolarHBondContact O-N 2.98Å; K1263-V1267 VanDerWaalsContact O-CG2 3.27Å; K1263-V1267 WeakPolarHBondContact O-CG2 3.43Å; K1263-V1267 PolarHBondContact O-N 3.43Å
1264Q73.2Confident68.9Low130 Ų13065.9 Ų65.961%0.60734%0.343SS*.Hα-helixtrans-65-41.1179.9-166140.9-1500112.6N1260 N1261 N1262 I1266 V1267 V1268N1260-Q1264 PolarHBondContact O-N 3.03Å; N1261-Q1264 PolarHBondContact O-N 2.82Å; N1262-Q1264 PolarHBondContact O-N 3.03Å; Q1264-I1266 PolarHBondContact O-N 3.34Å; Q1264-V1267 PolarHBondContact O-N 3.37Å; Q1264-V1268 HydrophobicContact CG-CG2 4.48Å; Q1264-V1268 WeakPolarHBondContact O-CB 3.5Å; Q1264-V1268 VanDerWaalsContact O-CG2 3.23Å; Q1264-V1268 WeakPolarHBondContact O-CG2 3.35Å; Q1264-V1268 PolarHBondContact O-N 3.05Å
1265H74.5Confident69.9Low51 Ų5169.1 Ų69.124%0.23636%0.361CS..Hα-helixtrans-62.2-41174.5-64.5155.1000112.7P1225 I1229 N1261 N1262 W1269P1225-H1265 HydrophobicContact CB-CB 4.41Å; P1225-H1265 HydrophobicContact CG-CB 4.3Å; I1229-H1265 VanDerWaalsContact CD1-CD2 3.48Å; I1229-H1265 WeakPolarHBondContact CD1-CD2 3.39Å; I1229-H1265 HydrophobicContact CG2-CB 4.42Å; I1229-H1265 VanDerWaalsContact CG2-O 3.32Å; I1229-H1265 WeakPolarHBondContact CG2-O 3.08Å; N1261-H1265 PolarHBondContact O-N 3.12Å; N1261-H1265 VanDerWaalsContact O-N 3.11Å; N1262-H1265 PolarHBondContact O-N 3.12Å; H1265-W1269 VanDerWaalsContact O-CB 3.29Å; H1265-W1269 WeakPolarHBondContact O-CB 3.17Å; H1265-W1269 PolarHBondContact O-N 3Å
1266I72Confident70.6Confident6 Ų669.7 Ų69.73%0.03136%0.359CS..Hα-helixtrans-65.5-45.4177-62.9168.5000110.4P1225 W1254 N1262 K1263 Q1264 W1269 F1270P1225-I1266 HydrophobicContact CB-CD1 4.35Å; P1225-I1266 HydrophobicContact CB-CG1 3.76Å; P1225-I1266 HydrophobicContact CG-CD1 4.12Å; P1225-I1266 HydrophobicContact CG-CG1 3.87Å; W1254-I1266 HydrophobicContact CD2-CD1 4.2Å; W1254-I1266 HydrophobicContact CE3-CD1 4.06Å; W1254-I1266 HydrophobicContact CH2-CD1 3.71Å; W1254-I1266 HydrophobicContact CH2-CG1 3.78Å; W1254-I1266 HydrophobicContact CH2-CG2 4.33Å; W1254-I1266 HydrophobicContact CZ2-CD1 3.85Å; W1254-I1266 HydrophobicContact CZ2-CG1 4.19Å; W1254-I1266 HydrophobicContact CZ3-CD1 3.81Å; W1254-I1266 HydrophobicContact CZ3-CG1 4.14Å; W1254-I1266 HydrophobicContact CZ3-CG2 3.99Å; N1262-I1266 WeakPolarHBondContact O-CG1 3.36Å; N1262-I1266 PolarHBondContact O-N 2.68Å; N1262-I1266 VanDerWaalsContact O-N 3.09Å; K1263-I1266 PolarHBondContact O-N 2.98Å; Q1264-I1266 PolarHBondContact O-N 3.34Å; I1266-W1269 PolarHBondContact O-N 3.08Å; I1266-F1270 HydrophobicContact CG2-CD2 3.71Å; I1266-F1270 HydrophobicContact CG2-CE2 3.88Å; I1266-F1270 WeakPolarHBondContact O-CD2 3.46Å; I1266-F1270 PolarHBondContact O-N 3.12Å
1267V74.6Confident71Confident82 Ų8266.5 Ų66.550%0.49734%0.335SS..Hα-helixtrans-60.8-48.8177.2170.80000111.1K1263 Q1264 W1269 F1270 D1271K1263-V1267 VanDerWaalsContact O-CG2 3.27Å; K1263-V1267 WeakPolarHBondContact O-CG2 3.43Å; K1263-V1267 PolarHBondContact O-N 3.43Å; Q1264-V1267 PolarHBondContact O-N 3.37Å; V1267-W1269 VanDerWaalsContact C-N 3.3Å; V1267-W1269 PolarHBondContact O-N 2.95Å; V1267-F1270 PolarHBondContact O-N 2.94Å; V1267-D1271 WeakPolarHBondContact O-CB 3.49Å; V1267-D1271 PolarHBondContact O-N 3.4Å
1268V78.9Confident71.5Confident70 Ų7064.9 Ų64.942%0.42433%0.328SS..Hα-helixtrans-59.7-41.4177.7169.80000111.2I1229 Q1264 K1272I1229-V1268 HydrophobicContact CG2-CB 4.05Å; I1229-V1268 HydrophobicContact CG2-CG1 3.79Å; Q1264-V1268 HydrophobicContact CG-CG2 4.48Å; Q1264-V1268 WeakPolarHBondContact O-CB 3.5Å; Q1264-V1268 VanDerWaalsContact O-CG2 3.23Å; Q1264-V1268 WeakPolarHBondContact O-CG2 3.35Å; Q1264-V1268 PolarHBondContact O-N 3.05Å; V1268-K1272 VanDerWaalsContact O-CB 3.3Å; V1268-K1272 WeakPolarHBondContact O-CB 3.25Å; V1268-K1272 PolarHBondContact O-N 3.23Å
1269W80.4Confident72.3Confident1 Ų170.9 Ų70.90%0.00435%0.353CS..Hα-helixtrans-66.4-42.5176.8179.172000112.5L1228 I1229 D1238 V1241 A1242 L1245 H1265 I1266 V1267 K1272 L1273L1228-W1269 HydrophobicContact CB-CB 4.06Å; L1228-W1269 HydrophobicContact CB-CD2 4.02Å; L1228-W1269 HydrophobicContact CB-CG 3.66Å; L1228-W1269 HydrophobicContact CD1-CD2 4.09Å; L1228-W1269 HydrophobicContact CD1-CE3 4.08Å; L1228-W1269 HydrophobicContact CD1-CG 4.47Å; L1228-W1269 HydrophobicContact CD1-CZ3 4.45Å; L1228-W1269 HydrophobicContact CD2-CD2 4.42Å; L1228-W1269 HydrophobicContact CD2-CZ2 4.1Å; L1228-W1269 HydrophobicContact CG-CD2 4.42Å; I1229-W1269 HydrophobicContact CG2-CB 4.11Å; D1238-W1269 HydrophobicContact CB-CZ2 4.36Å; D1238-W1269 WeakPolarHBondContact O-CZ2 3.46Å; D1238-W1269 PolarHBondContact OD1-NE1 2.97Å; V1241-W1269 HydrophobicContact CB-CH2 4.16Å; V1241-W1269 HydrophobicContact CB-CZ2 4.07Å; V1241-W1269 HydrophobicContact CG1-CH2 3.74Å; V1241-W1269 HydrophobicContact CG1-CZ2 3.97Å; A1242-W1269 HydrophobicContact CB-CH2 3.89Å; A1242-W1269 HydrophobicContact CB-CZ2 4.47Å; L1245-W1269 HydrophobicContact CD1-CH2 3.87Å; L1245-W1269 HydrophobicContact CD1-CZ3 3.69Å; H1265-W1269 VanDerWaalsContact O-CB 3.29Å; H1265-W1269 WeakPolarHBondContact O-CB 3.17Å; H1265-W1269 PolarHBondContact O-N 3Å; I1266-W1269 PolarHBondContact O-N 3.08Å; V1267-W1269 VanDerWaalsContact C-N 3.3Å; V1267-W1269 PolarHBondContact O-N 2.95Å; W1269-K1272 WeakPolarHBondContact O-CB 3.43Å; W1269-K1272 PolarHBondContact O-N 3.17Å; W1269-L1273 HydrophobicContact CD2-CD1 3.99Å; W1269-L1273 HydrophobicContact CE3-CD1 4.13Å; W1269-L1273 HydrophobicContact CH2-CD1 3.86Å; W1269-L1273 HydrophobicContact CZ2-CD1 3.7Å; W1269-L1273 HydrophobicContact CZ3-CD1 4.07Å; W1269-L1273 WeakPolarHBondContact O-CG 3.16Å; W1269-L1273 PolarHBondContact O-N 3.33Å
1270F76.7Confident72.5Confident97 Ų9766.9 Ų66.943%0.42533%0.334SS..Hα-helixtrans-63.6-43.8173.8-96.5-72.7000112.5I1266 V1267 K1272 L1273 K1274I1266-F1270 HydrophobicContact CG2-CD2 3.71Å; I1266-F1270 HydrophobicContact CG2-CE2 3.88Å; I1266-F1270 WeakPolarHBondContact O-CD2 3.46Å; I1266-F1270 PolarHBondContact O-N 3.12Å; V1267-F1270 PolarHBondContact O-N 2.94Å; F1270-K1272 VanDerWaalsContact C-N 3.29Å; F1270-K1272 PolarHBondContact O-N 2.87Å; F1270-L1273 PolarHBondContact O-N 3.36Å; F1270-K1274 VanDerWaalsContact O-CB 3.28Å; F1270-K1274 WeakPolarHBondContact O-CB 3.38Å; F1270-K1274 PolarHBondContact O-N 3.42Å
1271D77.7Confident72Confident88 Ų8868 Ų6847%0.47134%0.339SS..Hα-helixtrans-62.1-39.3176.6-83.6-25.4000111.3V1267 K1274 D1275V1267-D1271 WeakPolarHBondContact O-CB 3.49Å; V1267-D1271 PolarHBondContact O-N 3.4Å; D1271-K1274 PolarHBondContact O-N 3.28Å; D1271-D1275 WeakPolarHBondContact O-CB 3.29Å; D1271-D1275 PolarHBondContact O-N 3Å
1272K79.8Confident71.5Confident37 Ų3772 Ų7216%0.16135%0.352CS..Hα-helixtrans-64-43.1174.4-177.6-172.3165.8-156.70112.3T1231 T1232 N1233 P1234 V1268 W1269 F1270 Y1276T1231-K1272 VanDerWaalsContact C-NZ 3.25Å; T1231-K1272 VanDerWaalsContact O-CE 3.3Å; T1231-K1272 WeakPolarHBondContact O-CE 3.23Å; T1231-K1272 PolarHBondContact O-NZ 2.82Å; T1231-K1272 PolarHBondContact OG1-NZ 3.32Å; T1232-K1272 VanDerWaalsContact C-CE 3.47Å; T1232-K1272 WeakPolarHBondContact O-CE 3.2Å; N1233-K1272 PolarHBondContact O-NZ 3.41Å; P1234-K1272 HydrophobicContact CG-CG 4.14Å; V1268-K1272 VanDerWaalsContact O-CB 3.3Å; V1268-K1272 WeakPolarHBondContact O-CB 3.25Å; V1268-K1272 PolarHBondContact O-N 3.23Å; W1269-K1272 WeakPolarHBondContact O-CB 3.43Å; W1269-K1272 PolarHBondContact O-N 3.17Å; F1270-K1272 VanDerWaalsContact C-N 3.29Å; F1270-K1272 PolarHBondContact O-N 2.87Å; K1272-Y1276 WeakPolarHBondContact O-CB 3.46Å; K1272-Y1276 PolarHBondContact O-N 3.49Å
1273L77.3Confident70.9Confident3 Ų373.8 Ų73.82%0.01636%0.361CS..Hα-helixtrans-61.9-49.1173.3-74.2173.2000110.5P1234 D1238 A1242 W1269 F1270 D1275 Y1276 F1277P1234-L1273 HydrophobicContact CB-CD2 3.76Å; P1234-L1273 HydrophobicContact CG-CD2 3.99Å; D1238-L1273 HydrophobicContact CB-CD2 4Å; A1242-L1273 HydrophobicContact CB-CD1 3.95Å; W1269-L1273 HydrophobicContact CD2-CD1 3.99Å; W1269-L1273 HydrophobicContact CE3-CD1 4.13Å; W1269-L1273 HydrophobicContact CH2-CD1 3.86Å; W1269-L1273 HydrophobicContact CZ2-CD1 3.7Å; W1269-L1273 HydrophobicContact CZ3-CD1 4.07Å; W1269-L1273 WeakPolarHBondContact O-CG 3.16Å; W1269-L1273 PolarHBondContact O-N 3.33Å; F1270-L1273 PolarHBondContact O-N 3.36Å; L1273-D1275 PolarHBondContact O-N 3.4Å; L1273-Y1276 PolarHBondContact O-N 2.72Å; L1273-F1277 HydrophobicContact CB-CD2 4.21Å; L1273-F1277 HydrophobicContact CB-CE2 4.14Å; L1273-F1277 HydrophobicContact CD2-CE2 3.9Å; L1273-F1277 WeakPolarHBondContact O-CB 3.36Å; L1273-F1277 WeakPolarHBondContact O-CD2 3.32Å; L1273-F1277 PolarHBondContact O-N 3.44Å
1274K76.3Confident70Confident140 Ų14077.2 Ų77.261%0.60937%0.371SS*.Hα-helixtrans-57.9-46.8179-177.9-177.7175.6-1750112F1270 D1271 F1277 S1278F1270-K1274 VanDerWaalsContact O-CB 3.28Å; F1270-K1274 WeakPolarHBondContact O-CB 3.38Å; F1270-K1274 PolarHBondContact O-N 3.42Å; D1271-K1274 PolarHBondContact O-N 3.28Å; K1274-F1277 PolarHBondContact O-N 2.81Å; K1274-S1278 VanDerWaalsContact O-CB 3.23Å; K1274-S1278 WeakPolarHBondContact O-CB 3.36Å; K1274-S1278 PolarHBondContact O-N 2.94Å; K1274-S1278 PolarHBondContact O-OG 2.9Å
1275D75.6Confident68.7Low75 Ų7575.8 Ų75.840%0.40138%0.376SS..Hα-helixtrans-59.9-50.2176.2-179.859.8000111.2D1271 L1273 F1277 S1278 K1279D1271-D1275 WeakPolarHBondContact O-CB 3.29Å; D1271-D1275 PolarHBondContact O-N 3Å; L1273-D1275 PolarHBondContact O-N 3.4Å; D1275-F1277 PolarHBondContact O-N 3.3Å; D1275-S1278 PolarHBondContact O-N 3.28Å; D1275-S1278 PolarHBondContact O-OG 2.76Å; D1275-K1279 WeakPolarHBondContact O-CG 3.49Å; D1275-K1279 PolarHBondContact O-N 2.66Å; D1275-K1279 WeakPolarHBondContact OD1-CE 3.44Å; D1275-K1279 IonicContact OD1-NZ 3.5Å; D1275-K1279 PolarHBondContact OD1-NZ 2.78Å; D1275-K1279 IonicContact OD2-NZ 2.7Å; D1275-K1279 PolarHBondContact OD2-NZ 3.23Å
1276Y73.8Confident67.2Low81 Ų8180.2 Ų80.232%0.31840%0.401SS..Hα-helixtrans-58.3-46.2177.6178.4-100.6000113P1234 K1272 L1273 K1279 S1280 M1283P1234-Y1276 HydrophobicContact CB-CD1 3.96Å; P1234-Y1276 HydrophobicContact CB-CE1 4.35Å; P1234-Y1276 HydrophobicContact CB-CG 4.05Å; P1234-Y1276 VanDerWaalsContact CG-CB 3.48Å; P1234-Y1276 HydrophobicContact CG-CD1 3.97Å; P1234-Y1276 HydrophobicContact CG-CD2 4.12Å; P1234-Y1276 HydrophobicContact CG-CG 3.6Å; K1272-Y1276 WeakPolarHBondContact O-CB 3.46Å; K1272-Y1276 PolarHBondContact O-N 3.49Å; L1273-Y1276 PolarHBondContact O-N 2.72Å; Y1276-K1279 PolarHBondContact O-N 2.79Å; Y1276-S1280 PolarHBondContact O-N 3.48Å; Y1276-S1280 VanDerWaalsContact O-N 3.16Å; Y1276-M1283 HydrophobicContact CE1-CE 3.68Å
1277F67.3Low65.8Low10 Ų1085.2 Ų85.24%0.04442%0.422CS..Hα-helixtrans-71.2-32.5178.8-71.7-63.4000112.8I1239 L1273 K1274 D1275 K1279 S1280 M1283 F1287I1239-F1277 HydrophobicContact CD1-CE1 4.15Å; I1239-F1277 HydrophobicContact CD1-CZ 3.85Å; I1239-F1277 HydrophobicContact CG1-CZ 3.76Å; I1239-F1277 HydrophobicContact CG2-CZ 4.21Å; L1273-F1277 HydrophobicContact CB-CD2 4.21Å; L1273-F1277 HydrophobicContact CB-CE2 4.14Å; L1273-F1277 HydrophobicContact CD2-CE2 3.9Å; L1273-F1277 WeakPolarHBondContact O-CB 3.36Å; L1273-F1277 WeakPolarHBondContact O-CD2 3.32Å; L1273-F1277 PolarHBondContact O-N 3.44Å; K1274-F1277 PolarHBondContact O-N 2.81Å; D1275-F1277 PolarHBondContact O-N 3.3Å; F1277-K1279 VanDerWaalsContact C-N 3.26Å; F1277-K1279 PolarHBondContact O-N 3.16Å; F1277-S1280 PolarHBondContact O-N 2.84Å; F1277-M1283 HydrophobicContact CD1-CB 3.8Å; F1277-M1283 HydrophobicContact CD1-CE 4.2Å; F1277-M1283 HydrophobicContact CD1-SD 4.3Å; F1277-M1283 HydrophobicContact CE1-CB 4.09Å; F1277-M1283 HydrophobicContact CE1-CE 3.6Å; F1277-M1283 HydrophobicContact CE1-CG 4.47Å; F1277-M1283 HydrophobicContact CE1-SD 3.64Å; F1277-F1287 HydrophobicContact CB-CD1 4.36Å; F1277-F1287 HydrophobicContact CB-CD2 4.35Å; F1277-F1287 HydrophobicContact CB-CG 4.21Å; F1277-F1287 HydrophobicContact CD1-CB 4.47Å; F1277-F1287 AromaticContact CD1-CD2 3.93Å; F1277-F1287 HydrophobicContact CD1-CD2 3.93Å; F1277-F1287 HydrophobicContact CD1-CG 4.31Å; F1277-F1287 AromaticContact CD2-CD2 3.43Å; F1277-F1287 HydrophobicContact CD2-CD2 3.43Å; F1277-F1287 VanDerWaalsContact CD2-CD2 3.43Å; F1277-F1287 HydrophobicContact CD2-CE1 4.37Å; F1277-F1287 AromaticContact CD2-CE2 3.2Å; F1277-F1287 HydrophobicContact CD2-CE2 3.2Å; F1277-F1287 HydrophobicContact CD2-CG 4.13Å; F1277-F1287 AromaticContact CD2-CZ 3.71Å; F1277-F1287 HydrophobicContact CD2-CZ 3.71Å; F1277-F1287 AromaticContact CE1-CD2 3.97Å; F1277-F1287 HydrophobicContact CE1-CD2 3.97Å; F1277-F1287 AromaticContact CE2-CD2 3.52Å; F1277-F1287 HydrophobicContact CE2-CD2 3.52Å; F1277-F1287 AromaticContact CE2-CE2 3.23Å; F1277-F1287 HydrophobicContact CE2-CE2 3.23Å; F1277-F1287 HydrophobicContact CE2-CZ 4.12Å; F1277-F1287 AromaticContact CG-CD2 3.66Å; F1277-F1287 HydrophobicContact CG-CD2 3.66Å; F1277-F1287 AromaticContact CG-CE2 3.91Å; F1277-F1287 HydrophobicContact CG-CE2 3.91Å; F1277-F1287 AromaticContact CG-CG 3.99Å; F1277-F1287 HydrophobicContact CG-CG 3.99Å; F1277-F1287 HydrophobicContact CG-CZ 4.43Å; F1277-F1287 AromaticContact CZ-CD2 3.78Å; F1277-F1287 HydrophobicContact CZ-CD2 3.78Å; F1277-F1287 AromaticContact CZ-CE2 3.93Å; F1277-F1287 HydrophobicContact CZ-CE2 3.93Å
1278S70.4Confident64.1Low54 Ų5493 Ų9338%0.37845%0.449SS..Hα-helixtrans-63.8-33.3175.878.20000112.5K1274 D1275 R1284K1274-S1278 VanDerWaalsContact O-CB 3.23Å; K1274-S1278 WeakPolarHBondContact O-CB 3.36Å; K1274-S1278 PolarHBondContact O-N 2.94Å; K1274-S1278 PolarHBondContact O-OG 2.9Å; D1275-S1278 PolarHBondContact O-N 3.28Å; D1275-S1278 PolarHBondContact O-OG 2.76Å; S1278-R1284 PolarHBondContact O-NE 3.4Å; S1278-R1284 PolarHBondContact O-NH2 2.7Å
1279K71.4Confident63.4Low147 Ų14794.1 Ų94.164%0.63945%0.451SS*.Hα-helixtrans-82.6-20.9177.4-69.6170.6178.9164.20113.4D1275 Y1276 F1277 N1281D1275-K1279 WeakPolarHBondContact O-CG 3.49Å; D1275-K1279 PolarHBondContact O-N 2.66Å; D1275-K1279 WeakPolarHBondContact OD1-CE 3.44Å; D1275-K1279 IonicContact OD1-NZ 3.5Å; D1275-K1279 PolarHBondContact OD1-NZ 2.78Å; D1275-K1279 IonicContact OD2-NZ 2.7Å; D1275-K1279 PolarHBondContact OD2-NZ 3.23Å; Y1276-K1279 PolarHBondContact O-N 2.79Å; F1277-K1279 VanDerWaalsContact C-N 3.26Å; F1277-K1279 PolarHBondContact O-N 3.16Å; K1279-N1281 PolarHBondContact O-N 3.31Å
1280S63.2Low62.5Low27 Ų2799 Ų9919%0.18947%0.474CS..  trans-89.597.5-178.7-179.30000112.3Y1276 F1277 K1282 M1283 R1284Y1276-S1280 PolarHBondContact O-N 3.48Å; Y1276-S1280 VanDerWaalsContact O-N 3.16Å; F1277-S1280 PolarHBondContact O-N 2.84Å; S1280-K1282 PolarHBondContact O-N 2.83Å; S1280-K1282 VanDerWaalsContact O-N 3.16Å; S1280-M1283 PolarHBondContact O-N 2.9Å; S1280-M1283 PolarHBondContact OG-N 3Å; S1280-R1284 PolarHBondContact O-N 3.21Å
1281N55.5Low61.7Low140 Ų14099.1 Ų99.175%0.74948%0.477SS*.THydrogen-bonded Turntrans-56.8-28.5174-84.4-16000113.3K1279K1279-N1281 PolarHBondContact O-N 3.31Å
1282K53Low60.7Low192 Ų19299.8 Ų99.884%0.83548%0.477SS*.THydrogen-bonded Turntrans-79.7-21.6-179-104.9-178.7177179.30114.2S1280S1280-K1282 PolarHBondContact O-N 2.83Å; S1280-K1282 VanDerWaalsContact O-N 3.16Å
1283M50.5Low59.6Low45 Ų45103.7 Ų103.722%0.22250%0.497CS..THydrogen-bonded Turntrans-106.4-7.3-177.1-74.7-141.4-95.700115I1239 Y1276 F1277 S1280 S1285 L1286 F1287I1239-M1283 HydrophobicContact CD1-CE 3.68Å; I1239-M1283 HydrophobicContact CD1-SD 4.34Å; Y1276-M1283 HydrophobicContact CE1-CE 3.68Å; F1277-M1283 HydrophobicContact CD1-CB 3.8Å; F1277-M1283 HydrophobicContact CD1-CE 4.2Å; F1277-M1283 HydrophobicContact CD1-SD 4.3Å; F1277-M1283 HydrophobicContact CE1-CB 4.09Å; F1277-M1283 HydrophobicContact CE1-CE 3.6Å; F1277-M1283 HydrophobicContact CE1-CG 4.47Å; F1277-M1283 HydrophobicContact CE1-SD 3.64Å; S1280-M1283 PolarHBondContact O-N 2.9Å; S1280-M1283 PolarHBondContact OG-N 3Å; M1283-S1285 PolarHBondContact O-N 3.19Å; M1283-S1285 VanDerWaalsContact O-N 3.13Å; M1283-L1286 PolarHBondContact O-N 3.45Å; M1283-F1287 WeakPolarHBondContact O-CB 3.49Å; M1283-F1287 PolarHBondContact O-N 3.27Å; M1283-F1287 VanDerWaalsContact O-N 3.09Å
1284R47Very low58.4Low145 Ų145110.4 Ų110.455%0.54753%0.529SS..Hα-helixtrans-55.5-30175.5-82.5-173.9-175-175.81.8114.4S1278 S1280 K1288S1278-R1284 PolarHBondContact O-NE 3.4Å; S1278-R1284 PolarHBondContact O-NH2 2.7Å; S1280-R1284 PolarHBondContact O-N 3.21Å; R1284-K1288 PolarHBondContact O-N 2.97Å
1285S47.8Very low57.1Low100 Ų100108.3 Ų108.370%0.69952%0.523SS*.Hα-helixtrans-81.2-19.617871.30000114.2M1283M1283-S1285 PolarHBondContact O-N 3.19Å; M1283-S1285 VanDerWaalsContact O-N 3.13Å
1286L42.5Very low55.7Low145 Ų145110.8 Ų110.876%0.75953%0.533SS*.Hα-helixtrans-94.7-17-179.4-134.9135.1000111.3M1283M1283-L1286 PolarHBondContact O-N 3.45Å
1287F41.8Very low54.2Low111 Ų111113.3 Ų113.349%0.48755%0.551SS.*Hα-helixtrans-103.1-22.6-178.9-159.4-93.6000113.9F1277 M1283F1277-F1287 HydrophobicContact CB-CD1 4.36Å; F1277-F1287 HydrophobicContact CB-CD2 4.35Å; F1277-F1287 HydrophobicContact CB-CG 4.21Å; F1277-F1287 HydrophobicContact CD1-CB 4.47Å; F1277-F1287 AromaticContact CD1-CD2 3.93Å; F1277-F1287 HydrophobicContact CD1-CD2 3.93Å; F1277-F1287 HydrophobicContact CD1-CG 4.31Å; F1277-F1287 AromaticContact CD2-CD2 3.43Å; F1277-F1287 HydrophobicContact CD2-CD2 3.43Å; F1277-F1287 VanDerWaalsContact CD2-CD2 3.43Å; F1277-F1287 HydrophobicContact CD2-CE1 4.37Å; F1277-F1287 AromaticContact CD2-CE2 3.2Å; F1277-F1287 HydrophobicContact CD2-CE2 3.2Å; F1277-F1287 HydrophobicContact CD2-CG 4.13Å; F1277-F1287 AromaticContact CD2-CZ 3.71Å; F1277-F1287 HydrophobicContact CD2-CZ 3.71Å; F1277-F1287 AromaticContact CE1-CD2 3.97Å; F1277-F1287 HydrophobicContact CE1-CD2 3.97Å; F1277-F1287 AromaticContact CE2-CD2 3.52Å; F1277-F1287 HydrophobicContact CE2-CD2 3.52Å; F1277-F1287 AromaticContact CE2-CE2 3.23Å; F1277-F1287 HydrophobicContact CE2-CE2 3.23Å; F1277-F1287 HydrophobicContact CE2-CZ 4.12Å; F1277-F1287 AromaticContact CG-CD2 3.66Å; F1277-F1287 HydrophobicContact CG-CD2 3.66Å; F1277-F1287 AromaticContact CG-CE2 3.91Å; F1277-F1287 HydrophobicContact CG-CE2 3.91Å; F1277-F1287 AromaticContact CG-CG 3.99Å; F1277-F1287 HydrophobicContact CG-CG 3.99Å; F1277-F1287 HydrophobicContact CG-CZ 4.43Å; F1277-F1287 AromaticContact CZ-CD2 3.78Å; F1277-F1287 HydrophobicContact CZ-CD2 3.78Å; F1277-F1287 AromaticContact CZ-CE2 3.93Å; F1277-F1287 HydrophobicContact CZ-CE2 3.93Å; M1283-F1287 WeakPolarHBondContact O-CB 3.49Å; M1283-F1287 PolarHBondContact O-N 3.27Å; M1283-F1287 VanDerWaalsContact O-N 3.09Å
1288K39.4Very low53Low244 Ų244122.7 Ų122.7100%1.06160%0.597SS**  trans-67.90159.2-99.7-168.9176-173.80108.7R1284R1284-K1288 PolarHBondContact O-N 2.97Å

Retrieved 1,288 of 1,288 residues in 501 ms (Link to these results)

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