A0A087YFY2_POEFO Loading...

G protein-coupled receptor kinase

Retina-specific kinase involved in the shutoff of the photoresponse and adaptation to changing light conditions via cone opsin phosphorylation, including rhodopsin (RHO).

AlphaFold DB (A0A3B3V6E2), UniProt , Accession A0A087YFY2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 557 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
1M42Very low63.4Low245 Ų24599.9 Ų99.9100%1.20757%0.571SS**  01130-77.7174.3-123.900106.3D3M1-D3 PolarHBondContact O-N 3.22Å
2C46.5Very low64.4Low117 Ų11793.7 Ų93.779%0.79154%0.541SS*.  trans-63.5132.5169.1-76.30000107.7M4C2-M4 VanDerWaalsContact C-N 3.27Å; C2-M4 PolarHBondContact O-N 2.95Å
3D58.7Low65.7Low122 Ų12288.5 Ų88.565%0.65251%0.51SS*.  trans-65.889.5171.3179.46.1000108.8M1 G5 G6 L7M1-D3 PolarHBondContact O-N 3.22Å; D3-G5 PolarHBondContact O-N 3.29Å; D3-G5 PolarHBondContact OD1-N 2.96Å; D3-G6 PolarHBondContact O-N 3.44Å; D3-G6 PolarHBondContact OD1-N 2.83Å; D3-G6 VanDerWaalsContact OD1-N 3.16Å; D3-L7 PolarHBondContact O-N 3.3Å
4M58.9Low66.6Low133 Ų13388.1 Ų88.166%0.65551%0.51SS*.Hα-helixtrans-59.8-32.7-179.2-69.9-94.8-7700111C2 L7 D8C2-M4 VanDerWaalsContact C-N 3.27Å; C2-M4 PolarHBondContact O-N 2.95Å; M4-L7 PolarHBondContact O-N 2.8Å; M4-D8 PolarHBondContact O-N 3.25Å
5G60.6Low67.4Low37 Ų3785.3 Ų85.338%0.38150%0.501SS..Hα-helixtrans-67.9-40.7178.400000112.8D3 N9D3-G5 PolarHBondContact O-N 3.29Å; D3-G5 PolarHBondContact OD1-N 2.96Å; G5-N9 WeakPolarHBondContact O-CB 3.46Å; G5-N9 PolarHBondContact O-N 3.17Å; G5-N9 VanDerWaalsContact O-N 3.14Å
6G64.6Low68.2Low35 Ų3580.2 Ų80.236%0.36147%0.471SS..Hα-helixtrans-64.1-38.4173.700000113.3D3 L10D3-G6 PolarHBondContact O-N 3.44Å; D3-G6 PolarHBondContact OD1-N 2.83Å; D3-G6 VanDerWaalsContact OD1-N 3.16Å; G6-L10 PolarHBondContact O-N 3.5Å; G6-L10 VanDerWaalsContact O-N 3.1Å
7L68.3Low68.9Low97 Ų9778.6 Ų78.651%0.50846%0.459SS..Hα-helixtrans-69.6-45.7178.6-173.465.3000112.1D3 M4 N9 L10 V11D3-L7 PolarHBondContact O-N 3.3Å; M4-L7 PolarHBondContact O-N 2.8Å; L7-N9 VanDerWaalsContact C-N 3.28Å; L7-N9 PolarHBondContact O-N 2.97Å; L7-L10 PolarHBondContact O-N 3.39Å; L7-V11 WeakPolarHBondContact O-CG2 3.31Å; L7-V11 PolarHBondContact O-N 2.88Å
8D70.3Confident69.5Low100 Ų10083.4 Ų83.454%0.53547%0.474SS..Hα-helixtrans-61.1-39.5177.8-72.5-20.1000111.5M4 V11 A12M4-D8 PolarHBondContact O-N 3.25Å; D8-V11 PolarHBondContact O-N 2.77Å; D8-A12 WeakPolarHBondContact O-CB 2.93Å; D8-A12 PolarHBondContact O-N 3.12Å
9N75.4Confident70Confident19 Ų1979.7 Ų79.710%0.10246%0.455CS..Hα-helixtrans-63.7-44.1175.6-165.941.9000112.3G5 L7 A12 N13 R190 D485 T486G5-N9 WeakPolarHBondContact O-CB 3.46Å; G5-N9 PolarHBondContact O-N 3.17Å; G5-N9 VanDerWaalsContact O-N 3.14Å; L7-N9 VanDerWaalsContact C-N 3.28Å; L7-N9 PolarHBondContact O-N 2.97Å; N9-A12 PolarHBondContact O-N 3.44Å; N9-N13 WeakPolarHBondContact O-CB 3.43Å; N9-N13 VanDerWaalsContact O-CG 3.26Å; N9-N13 PolarHBondContact O-N 3.23Å; N9-N13 PolarHBondContact O-ND2 2.93Å; N9-R190 PolarHBondContact OD1-NH2 3.12Å; N9-D485 PolarHBondContact ND2-OD1 3.22Å; N9-T486 PolarHBondContact OD1-N 3.22Å; N9-T486 PolarHBondContact OD1-OG1 2.61Å
10L75Confident70.2Confident105 Ų10579.2 Ų79.255%0.5545%0.448SS..Hα-helixtrans-64.1-43.1177.8-178.465.4000111.9G6 L7 N13 T14G6-L10 PolarHBondContact O-N 3.5Å; G6-L10 VanDerWaalsContact O-N 3.1Å; L7-L10 PolarHBondContact O-N 3.39Å; L10-N13 PolarHBondContact O-N 3.28Å; L10-T14 WeakPolarHBondContact O-CB 3.28Å; L10-T14 PolarHBondContact O-N 3.21Å; L10-T14 PolarHBondContact O-OG1 3.47Å
11V77Confident70.1Confident89 Ų8978.7 Ų78.754%0.53946%0.461SS..Hα-helixtrans-63.1-47.7177.2172.50000110.4L7 D8 N13 T14 A15L7-V11 WeakPolarHBondContact O-CG2 3.31Å; L7-V11 PolarHBondContact O-N 2.88Å; D8-V11 PolarHBondContact O-N 2.77Å; V11-N13 VanDerWaalsContact C-N 3.35Å; V11-N13 PolarHBondContact O-N 3.3Å; V11-T14 PolarHBondContact O-N 2.97Å; V11-A15 WeakPolarHBondContact O-CB 3.22Å; V11-A15 PolarHBondContact O-N 2.74Å
12A75.9Confident71.3Confident25 Ų2569.4 Ų69.421%0.20743%0.427CS..Hα-helixtrans-60.4-43177.700000112.1D8 N9 Y16 R190D8-A12 WeakPolarHBondContact O-CB 2.93Å; D8-A12 PolarHBondContact O-N 3.12Å; N9-A12 PolarHBondContact O-N 3.44Å; A12-Y16 VanDerWaalsContact O-CB 3.24Å; A12-Y16 WeakPolarHBondContact O-CB 3.32Å; A12-Y16 PolarHBondContact O-N 3.44Å; A12-R190 HydrophobicContact CB-CB 4.31Å; A12-R190 HydrophobicContact CB-CG 4.2Å
13N80.5Confident72.8Confident27 Ų2767.6 Ų67.614%0.14441%0.41CS..Hα-helixtrans-65.1-44.1176.6-77.6-23.3000112.5N9 L10 V11 Y16 L17 R190 V481N9-N13 WeakPolarHBondContact O-CB 3.43Å; N9-N13 VanDerWaalsContact O-CG 3.26Å; N9-N13 PolarHBondContact O-N 3.23Å; N9-N13 PolarHBondContact O-ND2 2.93Å; L10-N13 PolarHBondContact O-N 3.28Å; V11-N13 VanDerWaalsContact C-N 3.35Å; V11-N13 PolarHBondContact O-N 3.3Å; N13-Y16 PolarHBondContact O-N 3.36Å; N13-L17 WeakPolarHBondContact O-CB 3.28Å; N13-L17 VanDerWaalsContact O-CG 3.29Å; N13-L17 WeakPolarHBondContact O-CG 3.16Å; N13-L17 PolarHBondContact O-N 3.49Å; N13-R190 WeakPolarHBondContact OD1-CD 3.18Å; N13-R190 PolarHBondContact OD1-NE 3.48Å; N13-R190 PolarHBondContact OD1-NH1 2.58Å; N13-V481 HydrophobicContact CB-CG2 4.42Å; N13-V481 WeakPolarHBondContact OD1-CG2 3.46Å
14T78.9Confident73.5Confident83 Ų8367.5 Ų67.551%0.50941%0.41SS..Hα-helixtrans-64.5-44.1-179.5-56.30000111L10 V11 K18L10-T14 WeakPolarHBondContact O-CB 3.28Å; L10-T14 PolarHBondContact O-N 3.21Å; L10-T14 PolarHBondContact O-OG1 3.47Å; V11-T14 PolarHBondContact O-N 2.97Å; T14-K18 VanDerWaalsContact O-CB 3.3Å; T14-K18 WeakPolarHBondContact O-CB 3.48Å; T14-K18 PolarHBondContact O-N 3.01Å
15A77.6Confident74.4Confident45 Ų4569.7 Ų69.737%0.37242%0.415SS..Hα-helixtrans-62.8-44176.300000111.7V11 K18 A19 F189V11-A15 WeakPolarHBondContact O-CB 3.22Å; V11-A15 PolarHBondContact O-N 2.74Å; A15-K18 PolarHBondContact O-N 3.18Å; A15-A19 WeakPolarHBondContact O-CB 3.35Å; A15-A19 PolarHBondContact O-N 3.49Å; A15-F189 HydrophobicContact CB-CD1 4.35Å
16Y80.1Confident75.3Confident4 Ų472.3 Ų72.32%0.01642%0.417CS..Hα-helixtrans-61.6-49.4177.6171.9-114.3000112.6A12 N13 K18 A19 Q20 A202 M211 L265 N267 V481A12-Y16 VanDerWaalsContact O-CB 3.24Å; A12-Y16 WeakPolarHBondContact O-CB 3.32Å; A12-Y16 PolarHBondContact O-N 3.44Å; N13-Y16 PolarHBondContact O-N 3.36Å; Y16-K18 VanDerWaalsContact C-N 3.34Å; Y16-K18 PolarHBondContact O-N 3.32Å; Y16-A19 PolarHBondContact O-N 2.89Å; Y16-Q20 PolarHBondContact O-N 3.47Å; Y16-Q20 PolarHBondContact OH-NE2 3.2Å; Y16-A202 HydrophobicContact CD2-CB 3.69Å; Y16-A202 HydrophobicContact CE2-CB 3.49Å; Y16-A202 VanDerWaalsContact CE2-CB 3.49Å; Y16-M211 HydrophobicContact CD2-CE 3.92Å; Y16-M211 HydrophobicContact CE2-CE 3.87Å; Y16-L265 HydrophobicContact CE2-CD2 4.13Å; Y16-N267 WeakPolarHBondContact OH-CB 3.34Å; Y16-V481 HydrophobicContact CD1-CG2 4.14Å; Y16-V481 HydrophobicContact CE1-CG1 4.23Å; Y16-V481 HydrophobicContact CE1-CG2 4.32Å
17L80.2Confident76.2Confident54 Ų5471.7 Ų71.728%0.28341%0.405SS..Hα-helixtrans-65.1-37.9178.9-69.6173.7000111.8N13 Q20 G21 P478 V481N13-L17 WeakPolarHBondContact O-CB 3.28Å; N13-L17 VanDerWaalsContact O-CG 3.29Å; N13-L17 WeakPolarHBondContact O-CG 3.16Å; N13-L17 PolarHBondContact O-N 3.49Å; L17-Q20 PolarHBondContact O-N 2.68Å; L17-G21 PolarHBondContact O-N 3.31Å; L17-P478 WeakPolarHBondContact CD2-O 3.47Å; L17-V481 HydrophobicContact CD2-CG2 4.39Å; L17-V481 HydrophobicContact CG-CG2 4.48Å
18K80.6Confident76.8Confident165 Ų16573.1 Ų73.172%0.71741%0.408SS*.Hα-helixtrans-64.3-40.7175.2-172.6179.6177.4-174.50111.7T14 A15 Y16 Q20 G21T14-K18 VanDerWaalsContact O-CB 3.3Å; T14-K18 WeakPolarHBondContact O-CB 3.48Å; T14-K18 PolarHBondContact O-N 3.01Å; A15-K18 PolarHBondContact O-N 3.18Å; Y16-K18 VanDerWaalsContact C-N 3.34Å; Y16-K18 PolarHBondContact O-N 3.32Å; K18-Q20 VanDerWaalsContact C-N 3.26Å; K18-Q20 PolarHBondContact O-N 3.36Å; K18-G21 PolarHBondContact O-N 3.03Å; K18-G21 VanDerWaalsContact O-N 3.08Å
19A78.5Confident77.4Confident13 Ų1375.8 Ų75.811%0.10741%0.414CS..Hα-helixtrans-63.6-32.2178.700000112.8A15 Y16 G21 G22 F189 Q204 M211A15-A19 WeakPolarHBondContact O-CB 3.35Å; A15-A19 PolarHBondContact O-N 3.49Å; Y16-A19 PolarHBondContact O-N 2.89Å; A19-G21 VanDerWaalsContact C-N 3.27Å; A19-G21 PolarHBondContact O-N 3.38Å; A19-G22 PolarHBondContact O-N 3.42Å; A19-F189 HydrophobicContact CB-CD1 4.16Å; A19-F189 HydrophobicContact CB-CE1 3.47Å; A19-F189 VanDerWaalsContact CB-CE1 3.47Å; A19-F189 HydrophobicContact CB-CE2 4.12Å; A19-F189 HydrophobicContact CB-CZ 3.45Å; A19-F189 VanDerWaalsContact CB-CZ 3.45Å; A19-Q204 PolarHBondContact O-NE2 3.36Å; A19-M211 HydrophobicContact CB-CE 4.24Å; A19-M211 HydrophobicContact CB-SD 4.02Å
20Q73.9Confident77.7Confident68 Ų6877.7 Ų77.732%0.31842%0.42SS..Hα-helixtrans-66.9-25.7173.7-69.8-177.6-29.800113.5Y16 L17 K18 M211Y16-Q20 PolarHBondContact O-N 3.47Å; Y16-Q20 PolarHBondContact OH-NE2 3.2Å; L17-Q20 PolarHBondContact O-N 2.68Å; K18-Q20 VanDerWaalsContact C-N 3.26Å; K18-Q20 PolarHBondContact O-N 3.36Å; Q20-M211 HydrophobicContact CG-CE 4.39Å; Q20-M211 HydrophobicContact CG-CG 4.44Å
21G68.3Low78.4Confident70 Ų7073.2 Ų73.272%0.72240%0.396SS*.Hα-helixtrans-81.9-12.8178.300000115L17 K18 A19L17-G21 PolarHBondContact O-N 3.31Å; K18-G21 PolarHBondContact O-N 3.03Å; K18-G21 VanDerWaalsContact O-N 3.08Å; A19-G21 VanDerWaalsContact C-N 3.27Å; A19-G21 PolarHBondContact O-N 3.38Å
22G68.1Low78.8Confident49 Ų4977.1 Ų77.151%0.50540%0.401SS..  trans71.3161.6-179.700000115.7A19A19-G22 PolarHBondContact O-N 3.42Å
23D76.2Confident79.2Confident80 Ų8080.8 Ų80.843%0.42843%0.425SS..  trans-133.992.8165.1-174.8-27000109.5K25 E26 M27D23-K25 PolarHBondContact O-N 2.59Å; D23-K25 PolarHBondContact OD1-N 3.12Å; D23-K25 VanDerWaalsContact OD1-N 3.1Å; D23-E26 HydrophobicContact CB-CB 4.22Å; D23-E26 PolarHBondContact O-N 2.98Å; D23-E26 PolarHBondContact OD1-N 3.42Å; D23-E26 VanDerWaalsContact OD1-N 3.13Å; D23-M27 WeakPolarHBondContact O-CB 3.32Å; D23-M27 VanDerWaalsContact O-CG 3.24Å; D23-M27 WeakPolarHBondContact O-CG 3.21Å; D23-M27 PolarHBondContact O-N 3.11Å
24D74.9Confident79.7Confident120 Ų12080.7 Ų80.764%0.64243%0.425SS*.Hα-helixtrans-58.8-30.8-175.6-72.8-7.6000113.8K28D24-K28 WeakPolarHBondContact O-CB 3.28Å; D24-K28 VanDerWaalsContact O-CG 3.29Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 3.37Å
25K78.3Confident80.3Confident178 Ų17879.2 Ų79.277%0.77442%0.418SS*.Hα-helixtrans-73.7-46.6-178.2-74.1-177-179.1175.80110.5D23 M27 K29D23-K25 PolarHBondContact O-N 2.59Å; D23-K25 PolarHBondContact OD1-N 3.12Å; D23-K25 VanDerWaalsContact OD1-N 3.1Å; K25-M27 VanDerWaalsContact C-N 3.32Å; K25-K29 PolarHBondContact O-N 2.95Å; K25-K29 VanDerWaalsContact O-N 3.11Å
26E79.4Confident81Confident92 Ų9278 Ų7843%0.4340%0.404SS..Hα-helixtrans-64.2-42177.1-168176.7-176.300110.9D23 K29 R30D23-E26 HydrophobicContact CB-CB 4.22Å; D23-E26 PolarHBondContact O-N 2.98Å; D23-E26 PolarHBondContact OD1-N 3.42Å; D23-E26 VanDerWaalsContact OD1-N 3.13Å; E26-K29 WeakPolarHBondContact O-CB 3.49Å; E26-K29 PolarHBondContact O-N 3.18Å; E26-R30 WeakPolarHBondContact O-CG 3.26Å; E26-R30 PolarHBondContact O-N 2.81Å; E26-R30 IonicContact OE1-CZ 3.93Å; E26-R30 IonicContact OE1-NE 2.92Å; E26-R30 PolarHBondContact OE1-NE 3.28Å; E26-R30 IonicContact OE1-NH2 2.69Å; E26-R30 PolarHBondContact OE1-NH2 3.02Å; E26-R30 IonicContact OE2-NH2 3.85Å
27M83.1Confident81.6Confident22 Ų2278.6 Ų78.611%0.10841%0.409CS..Hα-helixtrans-57.4-51.5175.6-76.4-60.5-58.700112.4D23 K25 K29 R30 R31 N207 T208D23-M27 WeakPolarHBondContact O-CB 3.32Å; D23-M27 VanDerWaalsContact O-CG 3.24Å; D23-M27 WeakPolarHBondContact O-CG 3.21Å; D23-M27 PolarHBondContact O-N 3.11Å; K25-M27 VanDerWaalsContact C-N 3.32Å; M27-K29 VanDerWaalsContact C-N 3.27Å; M27-K29 PolarHBondContact O-N 2.81Å; M27-R30 PolarHBondContact O-N 3.16Å; M27-R31 WeakPolarHBondContact O-CG 3.41Å; M27-R31 PolarHBondContact O-N 3.04Å; M27-N207 WeakPolarHBondContact CE-O 3.5Å; M27-T208 WeakPolarHBondContact CE-O 3.44Å
28K80.6Confident82.1Confident128 Ų12882.9 Ų82.956%0.55743%0.425SS*.Hα-helixtrans-58.9-38.7176.6-76.9176.5-176.8179.30112.2D24 R32D24-K28 WeakPolarHBondContact O-CB 3.28Å; D24-K28 VanDerWaalsContact O-CG 3.29Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 3.37Å; K28-R32 WeakPolarHBondContact O-CG 3.4Å; K28-R32 PolarHBondContact O-N 3.41Å
29K82.4Confident82.4Confident155 Ų15578.7 Ų78.767%0.67442%0.415SS*.Hα-helixtrans-62.7-45.4177.1-175.8-178.7175.9-176.60111.4K25 E26 M27 R32K25-K29 PolarHBondContact O-N 2.95Å; K25-K29 VanDerWaalsContact O-N 3.11Å; E26-K29 WeakPolarHBondContact O-CB 3.49Å; E26-K29 PolarHBondContact O-N 3.18Å; M27-K29 VanDerWaalsContact C-N 3.27Å; M27-K29 PolarHBondContact O-N 2.81Å; K29-R32 WeakPolarHBondContact O-CB 3.27Å; K29-R32 PolarHBondContact O-N 2.97Å
30R82.5Confident82.8Confident59 Ų5984.9 Ų84.922%0.22344%0.442CS..Hα-helixtrans-65.4-40.4179.2-69175.4-174.5169.80.8112.3E26 M27 R32 S33 Y187 K206E26-R30 WeakPolarHBondContact O-CG 3.26Å; E26-R30 PolarHBondContact O-N 2.81Å; E26-R30 IonicContact OE1-CZ 3.93Å; E26-R30 IonicContact OE1-NE 2.92Å; E26-R30 PolarHBondContact OE1-NE 3.28Å; E26-R30 IonicContact OE1-NH2 2.69Å; E26-R30 PolarHBondContact OE1-NH2 3.02Å; E26-R30 IonicContact OE2-NH2 3.85Å; M27-R30 PolarHBondContact O-N 3.16Å; R30-R32 PolarHBondContact O-N 3.19Å; R30-S33 PolarHBondContact O-OG 2.98Å; R30-Y187 VanDerWaalsContact NH1-CE2 3.34Å; R30-Y187 PolarHBondContact NH2-OH 3.43Å; R30-K206 PolarHBondContact NH1-O 3.42Å
31R89.1Confident83.7Confident12 Ų1287.2 Ų87.25%0.04545%0.453CS..Hα-helixtrans-68.1-19.3-179.1-69178.8179.1-174.7-0.1113.4M27 S33 L34 N207 T208 T527 L529 E532 R538M27-R31 WeakPolarHBondContact O-CG 3.41Å; M27-R31 PolarHBondContact O-N 3.04Å; R31-S33 VanDerWaalsContact C-N 3.25Å; R31-S33 PolarHBondContact O-N 3.4Å; R31-L34 HydrophobicContact CB-CD1 4.34Å; R31-L34 HydrophobicContact CG-CD1 4.15Å; R31-L34 WeakPolarHBondContact O-CB 3.45Å; R31-L34 PolarHBondContact O-N 2.79Å; R31-N207 PolarHBondContact NE-O 3.41Å; R31-T208 PolarHBondContact NH2-O 3.05Å; R31-T527 PolarHBondContact NH1-O 3.45Å; R31-T527 PolarHBondContact NH2-O 3.12Å; R31-L529 HydrophobicContact CG-CD1 3.99Å; R31-E532 WeakPolarHBondContact CD-OE2 3.24Å; R31-E532 IonicContact CZ-OE1 3.54Å; R31-E532 IonicContact NH1-OE1 3.57Å; R31-E532 PolarHBondContact NH1-OE1 3.2Å; R31-E532 IonicContact NH1-OE2 3.54Å; R31-R538 PolarHBondContact O-NH2 3.14Å
32R85.2Confident84.9Confident171 Ų17184.2 Ų84.265%0.64542%0.421SS*.THydrogen-bonded Turntrans-56-33.3-177.8-77.9174.8-174.2-161.1-0.5114.8K28 K29 R30K28-R32 WeakPolarHBondContact O-CG 3.4Å; K28-R32 PolarHBondContact O-N 3.41Å; K29-R32 WeakPolarHBondContact O-CB 3.27Å; K29-R32 PolarHBondContact O-N 2.97Å; R30-R32 PolarHBondContact O-N 3.19Å
33S84.8Confident86.1Confident101 Ų10185 Ų8571%0.70642%0.422SS*.THydrogen-bonded Turntrans-88.2-4.5-179.659.50000113.5R30 R31R30-S33 PolarHBondContact O-OG 2.98Å; R31-S33 VanDerWaalsContact C-N 3.25Å; R31-S33 PolarHBondContact O-N 3.4Å
34L90.6Very high87Confident26 Ų2684.7 Ų84.714%0.13643%0.431CS..  trans-82.7136.9178-56.5179.3000109.7R31 N207 L529 L533 R538R31-L34 HydrophobicContact CB-CD1 4.34Å; R31-L34 HydrophobicContact CG-CD1 4.15Å; R31-L34 WeakPolarHBondContact O-CB 3.45Å; R31-L34 PolarHBondContact O-N 2.79Å; L34-N207 HydrophobicContact CD1-CB 4.06Å; L34-L529 HydrophobicContact CD1-CD1 4.22Å; L34-L533 HydrophobicContact CB-CD1 4.43Å; L34-L533 HydrophobicContact CB-CD2 4.09Å; L34-R538 VanDerWaalsContact O-CZ 3.24Å; L34-R538 PolarHBondContact O-NH1 3.04Å; L34-R538 PolarHBondContact O-NH2 3.13Å
35S91.1Very high87.9Confident52 Ų5279.2 Ų79.236%0.36440%0.402SS..  trans-142.7154.4169.953.70000109.5E540S35-E540 VanDerWaalsContact CB-OE1 3.25Å; S35-E540 WeakPolarHBondContact CB-OE1 3.12Å
36L93.4Very high88.7Confident18 Ų1875.1 Ų75.19%0.09438%0.381CS..PPolyproline II helixtrans-73.5148.9172.4-73.8170.5000109.9K169 Q172 W173 Y176 L533L36-K169 HydrophobicContact CD1-CD 4.28Å; L36-Q172 HydrophobicContact CB-CB 4.34Å; L36-W173 HydrophobicContact CD1-CD2 4.48Å; L36-W173 HydrophobicContact CD1-CZ2 4.07Å; L36-W173 HydrophobicContact CD2-CD2 3.83Å; L36-W173 HydrophobicContact CD2-CE3 3.97Å; L36-W173 HydrophobicContact CD2-CG 4.33Å; L36-W173 HydrophobicContact CD2-CH2 4.25Å; L36-W173 HydrophobicContact CD2-CZ2 4.12Å; L36-W173 HydrophobicContact CD2-CZ3 4.19Å; L36-W173 HydrophobicContact CG-CZ2 4.5Å; L36-Y176 HydrophobicContact CD2-CD2 4.41Å; L36-Y176 HydrophobicContact CD2-CG 4.06Å; L36-L533 HydrophobicContact CD1-CB 4.27Å; L36-L533 WeakPolarHBondContact CD1-O 3.44Å; L36-L533 HydrophobicContact CG-CB 4.12Å
37P93.3Very high89.3Confident18 Ų1875 Ų7512%0.11740%0.396CS..PPolyproline II helixtrans-54.8144.5173.2-24.435.1000111.3Q41 Q172 E175P37-Q41 HydrophobicContact CB-CB 4.13Å; P37-Q172 WeakPolarHBondContact O-CG 3.32Å; P37-Q172 PolarHBondContact O-NE2 2.94Å; P37-E175 HydrophobicContact CB-CB 4.41Å; P37-E175 HydrophobicContact CB-CG 4.22Å; P37-E175 HydrophobicContact CG-CB 4.06Å; P37-E175 HydrophobicContact CG-CG 4.05Å
38K90.2Very high89.9Confident143 Ų14377.8 Ų77.862%0.62242%0.423SS*.PPolyproline II helixtrans-67.7154.6175.1-58.9-175.2176.4-178.50110.7E40 Q41 C42K38-E40 WeakPolarHBondContact CB-OE2 3.48Å; K38-E40 PolarHBondContact O-N 3.09Å; K38-E40 VanDerWaalsContact O-N 3.12Å; K38-Q41 HydrophobicContact CB-CG 4.45Å; K38-Q41 WeakPolarHBondContact O-CB 3.44Å; K38-Q41 PolarHBondContact O-N 3.38Å; K38-C42 PolarHBondContact O-SG 3.11Å
39P86.1Confident90.5Very high78 Ų7873.2 Ų73.251%0.50640%0.404SS..G310 helixtrans-53.1-34.9-179.9-28.436.6000114.1Q41 C42P39-Q41 PolarHBondContact O-N 3.33Å; P39-C42 WeakPolarHBondContact O-CB 3.4Å; P39-C42 PolarHBondContact O-N 2.94Å
40E87.9Confident91Very high142 Ų14271.7 Ų71.766%0.66440%0.403SS*.G310 helixtrans-65.6-28.8179.1-52.679.7-170.600112.3K38 C42K38-E40 WeakPolarHBondContact CB-OE2 3.48Å; K38-E40 PolarHBondContact O-N 3.09Å; K38-E40 VanDerWaalsContact O-N 3.12Å; E40-C42 PolarHBondContact O-N 3.07Å
41Q91.5Very high91.5Very high117 Ų11774.5 Ų74.555%0.54742%0.417SS..G310 helixtrans-75.2-13.5176.2-57.2178.4-68.900112P37 K38 P39P37-Q41 HydrophobicContact CB-CB 4.13Å; K38-Q41 HydrophobicContact CB-CG 4.45Å; K38-Q41 WeakPolarHBondContact O-CB 3.44Å; K38-Q41 PolarHBondContact O-N 3.38Å; P39-Q41 PolarHBondContact O-N 3.33Å
42C94.9Very high91.8Very high8 Ų877 Ų775%0.05443%0.431CS..G310 helixtrans-931.1-177.5-56.40000113.3K38 P39 E40 A44 I45 R46 L171K38-C42 PolarHBondContact O-SG 3.11Å; P39-C42 WeakPolarHBondContact O-CB 3.4Å; P39-C42 PolarHBondContact O-N 2.94Å; E40-C42 PolarHBondContact O-N 3.07Å; C42-A44 VanDerWaalsContact C-N 3.35Å; C42-A44 PolarHBondContact O-N 3.18Å; C42-I45 HydrophobicContact CB-CG2 3.98Å; C42-I45 WeakPolarHBondContact O-CG2 3.34Å; C42-I45 PolarHBondContact O-N 2.9Å; C42-R46 WeakPolarHBondContact O-CB 3.48Å; C42-R46 PolarHBondContact O-N 3.33Å; C42-L171 HydrophobicContact CB-CB 4.23Å
43A92.9Very high92.4Very high65 Ų6569.4 Ų69.454%0.53740%0.403SS..Hα-helixtrans-60.4-41.9-176.900000112.8R46 A47A43-R46 PolarHBondContact O-N 2.98Å; A43-A47 PolarHBondContact O-N 3.37Å
44A93.8Very high92.9Very high74 Ų7465.6 Ų65.661%0.61238%0.375SS*.Hα-helixtrans-65.4-42179.700000112C42 A47 A48C42-A44 VanDerWaalsContact C-N 3.35Å; C42-A44 PolarHBondContact O-N 3.18Å; A44-A47 PolarHBondContact O-N 2.92Å; A44-A48 WeakPolarHBondContact O-CB 3.29Å; A44-A48 PolarHBondContact O-N 3.13Å; A44-A48 VanDerWaalsContact O-N 3.14Å
45I94.3Very high93.1Very high4 Ų468 Ų682%0.02139%0.385CS..Hα-helixtrans-71.6-36179.2-166.7162000112.4C42 A47 A48 I49 L171 K174 E175 K178C42-I45 HydrophobicContact CB-CG2 3.98Å; C42-I45 WeakPolarHBondContact O-CG2 3.34Å; C42-I45 PolarHBondContact O-N 2.9Å; I45-A47 PolarHBondContact O-N 3.37Å; I45-A48 PolarHBondContact O-N 3.24Å; I45-I49 WeakPolarHBondContact O-CB 3.21Å; I45-I49 WeakPolarHBondContact O-CG2 3.49Å; I45-I49 PolarHBondContact O-N 3.33Å; I45-L171 HydrophobicContact CG2-CB 4.24Å; I45-L171 HydrophobicContact CG2-CD2 4.22Å; I45-K174 VanDerWaalsContact CD1-C 3.4Å; I45-K174 HydrophobicContact CD1-CB 3.33Å; I45-K174 WeakPolarHBondContact CD1-O 3.47Å; I45-K174 HydrophobicContact CG1-CB 4.36Å; I45-E175 WeakPolarHBondContact CB-OE2 3.32Å; I45-E175 HydrophobicContact CG2-CB 4.34Å; I45-K178 HydrophobicContact CD1-CD 4.07Å; I45-K178 VanDerWaalsContact CD1-CE 3.42Å; I45-K178 VanDerWaalsContact CD1-NZ 3.29Å
46R94.8Very high93.4Very high92 Ų9265.5 Ų65.535%0.34737%0.368SS..Hα-helixtrans-57.3-38.2173.5-171.6171.7-105.2-89.2-2.1111.8C42 A43 Q162 D168 L171C42-R46 WeakPolarHBondContact O-CB 3.48Å; C42-R46 PolarHBondContact O-N 3.33Å; A43-R46 PolarHBondContact O-N 2.98Å; R46-Q162 PolarHBondContact NH2-O 2.99Å; R46-D168 IonicContact CZ-OD1 2.64Å; R46-D168 IonicContact NE-OD1 2.78Å; R46-D168 IonicContact NH2-OD1 3.58Å; R46-D168 PolarHBondContact NH2-OD1 3.15Å; R46-D168 IonicContact NH2-OD2 3.94Å; R46-L171 HydrophobicContact CB-CD1 3.75Å; R46-L171 HydrophobicContact CG-CD1 3.76Å
47A93.6Very high93.6Very high89 Ų8964.9 Ų64.974%0.73637%0.365SS*.Hα-helixtrans-77.6-31178.800000113.6A43 A44 I45A43-A47 PolarHBondContact O-N 3.37Å; A44-A47 PolarHBondContact O-N 2.92Å; I45-A47 PolarHBondContact O-N 3.37Å
48A94Very high93.6Very high81 Ų8167.2 Ų67.267%0.66937%0.374SS*.Hα-helixtrans-96.3-19.1-171.800000114.9A44 I45A44-A48 WeakPolarHBondContact O-CB 3.29Å; A44-A48 PolarHBondContact O-N 3.13Å; A44-A48 VanDerWaalsContact O-N 3.14Å; I45-A48 PolarHBondContact O-N 3.24Å
49I93.8Very high93.9Very high33 Ų3367.8 Ų67.817%0.16937%0.372CS..SBendtrans-68.9133.7-174.7-165.2165.6000111.5I45 K51 I56 F167 F170 L171 K174I45-I49 WeakPolarHBondContact O-CB 3.21Å; I45-I49 WeakPolarHBondContact O-CG2 3.49Å; I45-I49 PolarHBondContact O-N 3.33Å; I49-K51 PolarHBondContact O-N 2.93Å; I49-I56 HydrophobicContact CD1-CD1 4.37Å; I49-F167 HydrophobicContact CG2-CZ 4.4Å; I49-F170 HydrophobicContact CD1-CD1 4.47Å; I49-F170 HydrophobicContact CD1-CE1 3.58Å; I49-F170 HydrophobicContact CD1-CZ 4.27Å; I49-L171 HydrophobicContact CD1-CD2 4.2Å; I49-L171 HydrophobicContact CG2-CD2 4.17Å; I49-K174 HydrophobicContact CD1-CG 4.31Å
50D93.1Very high94.4Very high122 Ų12264.2 Ų64.265%0.65235%0.349SS*.  trans-69.9128.2170.7-17411.9000109.9D52 I56D50-D52 PolarHBondContact O-N 3.5Å; D50-D52 VanDerWaalsContact O-N 3.13Å; D50-I56 VanDerWaalsContact O-CD1 3.3Å; D50-I56 WeakPolarHBondContact O-CD1 3.34Å
51K92.2Very high94.9Very high118 Ų11858.3 Ų58.351%0.51332%0.323SS..  trans-89.543.7-174.3-63.5179169.2-154.60111.2I49 F53 F158I49-K51 PolarHBondContact O-N 2.93Å; K51-F53 PolarHBondContact O-N 3.45Å; K51-F158 VanDerWaalsContact O-CE1 3.29Å; K51-F158 WeakPolarHBondContact O-CE1 3.3Å
52D96.4Very high95.2Very high65 Ų6552.7 Ų52.735%0.34830%0.297SS..  trans-80.8117.6175.1178.4-114.2000110.7D50 T54 F55 I56D50-D52 PolarHBondContact O-N 3.5Å; D50-D52 VanDerWaalsContact O-N 3.13Å; D52-T54 VanDerWaalsContact C-N 3.34Å; D52-T54 PolarHBondContact O-N 2.85Å; D52-T54 WeakPolarHBondContact OD1-CB 3.18Å; D52-T54 PolarHBondContact OD1-N 3.14Å; D52-F55 HydrophobicContact CB-CB 4.13Å; D52-F55 PolarHBondContact O-N 3.33Å; D52-F55 WeakPolarHBondContact OD1-CB 3.5Å; D52-F55 PolarHBondContact OD1-N 3.1Å; D52-I56 WeakPolarHBondContact O-CB 3.44Å; D52-I56 WeakPolarHBondContact O-CG1 3.39Å; D52-I56 PolarHBondContact O-N 3Å
53F97Very high95.4Very high11 Ų1152.3 Ų52.35%0.04829%0.294CS..Hα-helixtrans-57.6-46179.5170.1-96.6000112K51 F55 I56 C57 E58 F67 R150 L153 K154 F158K51-F53 PolarHBondContact O-N 3.45Å; F53-F55 VanDerWaalsContact C-N 3.33Å; F53-F55 PolarHBondContact O-N 2.95Å; F53-I56 PolarHBondContact O-N 3.18Å; F53-C57 HydrophobicContact CD2-CB 3.87Å; F53-C57 HydrophobicContact CE2-CB 3.72Å; F53-C57 HydrophobicContact CZ-CB 4.24Å; F53-C57 WeakPolarHBondContact O-CB 3.46Å; F53-C57 PolarHBondContact O-N 3.31Å; F53-E58 HydrophobicContact CD1-CG 4.4Å; F53-E58 HydrophobicContact CE1-CG 3.84Å; F53-E58 WeakPolarHBondContact CE1-OE1 3.29Å; F53-E58 HydrophobicContact CZ-CG 4.34Å; F53-F67 HydrophobicContact CE2-CD1 4.35Å; F53-F67 AromaticContact CE2-CE1 3.57Å; F53-F67 HydrophobicContact CE2-CE1 3.57Å; F53-F67 AromaticContact CE2-CZ 3.72Å; F53-F67 HydrophobicContact CE2-CZ 3.72Å; F53-F67 HydrophobicContact CZ-CE1 4.04Å; F53-R150 HydrophobicContact CE1-CG 4.18Å; F53-L153 HydrophobicContact CE2-CB 4.04Å; F53-L153 HydrophobicContact CZ-CB 3.73Å; F53-K154 HydrophobicContact CB-CG 3.86Å; F53-K154 HydrophobicContact CD1-CB 4.47Å; F53-K154 HydrophobicContact CD1-CD 4.18Å; F53-K154 HydrophobicContact CD1-CG 3.27Å; F53-K154 HydrophobicContact CD2-CG 4.27Å; F53-K154 HydrophobicContact CE1-CG 3.81Å; F53-K154 HydrophobicContact CG-CB 4.35Å; F53-K154 HydrophobicContact CG-CG 3.53Å; F53-K154 HydrophobicContact CZ-CG 4.49Å; F53-F158 HydrophobicContact CB-CD1 3.91Å; F53-F158 HydrophobicContact CB-CE1 3.88Å; F53-F158 HydrophobicContact CB-CG 4.29Å; F53-F158 HydrophobicContact CB-CZ 4.25Å; F53-F158 HydrophobicContact CD2-CB 3.85Å; F53-F158 HydrophobicContact CD2-CD1 4.19Å; F53-F158 AromaticContact CD2-CD2 3.82Å; F53-F158 HydrophobicContact CD2-CD2 3.82Å; F53-F158 HydrophobicContact CD2-CE2 4.4Å; F53-F158 AromaticContact CD2-CG 3.71Å; F53-F158 HydrophobicContact CD2-CG 3.71Å; F53-F158 HydrophobicContact CE2-CB 4.4Å; F53-F158 HydrophobicContact CG-CG 4.48Å
54T95.8Very high95.6Very high21 Ų2153.9 Ų53.913%0.12929%0.289CS..Iπ-helixtrans-60.1-47.2-176.3-54.20000109.9D52 E58 R59 R150D52-T54 VanDerWaalsContact C-N 3.34Å; D52-T54 PolarHBondContact O-N 2.85Å; D52-T54 WeakPolarHBondContact OD1-CB 3.18Å; D52-T54 PolarHBondContact OD1-N 3.14Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.46Å; T54-E58 WeakPolarHBondContact O-CA 3.48Å; T54-E58 VanDerWaalsContact O-CB 3.31Å; T54-E58 WeakPolarHBondContact O-CB 3.47Å; T54-E58 PolarHBondContact O-N 3.21Å; T54-R59 HydrophobicContact CG2-CG 4.39Å; T54-R59 PolarHBondContact O-N 3.02Å; T54-R150 PolarHBondContact OG1-NH2 3.18Å
55F95.1Very high95.7Very high77 Ų7753.9 Ų53.934%0.33828%0.275SS..Iπ-helixtrans-71-40.3-177.5-172.2-114.4000112.8D52 F53 R59 Q60D52-F55 HydrophobicContact CB-CB 4.13Å; D52-F55 PolarHBondContact O-N 3.33Å; D52-F55 WeakPolarHBondContact OD1-CB 3.5Å; D52-F55 PolarHBondContact OD1-N 3.1Å; F53-F55 VanDerWaalsContact C-N 3.33Å; F53-F55 PolarHBondContact O-N 2.95Å; F55-R59 HydrophobicContact CD2-CB 4.47Å; F55-Q60 HydrophobicContact CE1-CG 4.45Å; F55-Q60 HydrophobicContact CZ-CG 4.36Å; F55-Q60 WeakPolarHBondContact O-CB 3.13Å; F55-Q60 VanDerWaalsContact O-CG 3.32Å; F55-Q60 WeakPolarHBondContact O-CG 3.22Å; F55-Q60 PolarHBondContact O-N 2.82Å; F55-Q60 VanDerWaalsContact O-N 3.15Å; F55-Q60 PolarHBondContact O-NE2 3.4Å
56I97.3Very high95.9Very high0 Ų053.9 Ų53.90%028%0.275CS..Iπ-helixtrans-78.1-51.9-178.8-68.2172000111.8I49 D50 D52 F53 G63 K64 F158 Y161 F167 F170I49-I56 HydrophobicContact CD1-CD1 4.37Å; D50-I56 VanDerWaalsContact O-CD1 3.3Å; D50-I56 WeakPolarHBondContact O-CD1 3.34Å; D52-I56 WeakPolarHBondContact O-CB 3.44Å; D52-I56 WeakPolarHBondContact O-CG1 3.39Å; D52-I56 PolarHBondContact O-N 3Å; F53-I56 PolarHBondContact O-N 3.18Å; I56-G63 CarbonylContact O-C 3.27Å; I56-G63 VanDerWaalsContact O-CA 3.28Å; I56-G63 WeakPolarHBondContact O-CA 3.45Å; I56-K64 PolarHBondContact O-N 2.96Å; I56-F158 HydrophobicContact CD1-CZ 4.3Å; I56-Y161 HydrophobicContact CG2-CE1 4.23Å; I56-F167 HydrophobicContact CD1-CE2 4.28Å; I56-F167 HydrophobicContact CG2-CE2 4.41Å; I56-F170 HydrophobicContact CB-CZ 4.46Å; I56-F170 HydrophobicContact CD1-CE1 4.35Å; I56-F170 HydrophobicContact CG1-CE1 4.14Å; I56-F170 HydrophobicContact CG1-CZ 4.22Å; I56-F170 HydrophobicContact CG2-CD1 4.28Å; I56-F170 HydrophobicContact CG2-CE1 3.72Å; I56-F170 HydrophobicContact CG2-CE2 4.48Å; I56-F170 HydrophobicContact CG2-CZ 3.84Å
57C97.6Very high96Very high5 Ų549.8 Ų49.83%0.03426%0.26CS..Iπ-helixtrans-97-16.9-165.8-590000113.7F53 K64 F67 F158F53-C57 HydrophobicContact CD2-CB 3.87Å; F53-C57 HydrophobicContact CE2-CB 3.72Å; F53-C57 HydrophobicContact CZ-CB 4.24Å; F53-C57 WeakPolarHBondContact O-CB 3.46Å; F53-C57 PolarHBondContact O-N 3.31Å; C57-K64 WeakPolarHBondContact O-CA 3.38Å; C57-K64 VanDerWaalsContact O-CB 3.24Å; C57-K64 WeakPolarHBondContact O-CB 3.31Å; C57-K64 WeakPolarHBondContact O-CG 3.36Å; C57-F67 HydrophobicContact CB-CB 4.1Å; C57-F67 HydrophobicContact CB-CD1 3.65Å; C57-F67 HydrophobicContact CB-CE1 4.19Å; C57-F67 HydrophobicContact CB-CG 3.87Å; C57-F158 VanDerWaalsContact SG-CD2 3.6Å; C57-F158 VanDerWaalsContact SG-CE2 3.53Å
58E94.2Very high96.1Very high66 Ų6649.6 Ų49.631%0.30824%0.24SC..Iπ-helixtrans-113.4-40.9-178.7-55-179.7139.400112.8F53 T54 R150F53-E58 HydrophobicContact CD1-CG 4.4Å; F53-E58 HydrophobicContact CE1-CG 3.84Å; F53-E58 WeakPolarHBondContact CE1-OE1 3.29Å; F53-E58 HydrophobicContact CZ-CG 4.34Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.46Å; T54-E58 WeakPolarHBondContact O-CA 3.48Å; T54-E58 VanDerWaalsContact O-CB 3.31Å; T54-E58 WeakPolarHBondContact O-CB 3.47Å; T54-E58 PolarHBondContact O-N 3.21Å; E58-R150 WeakPolarHBondContact OE1-CD 3.48Å; E58-R150 WeakPolarHBondContact OE1-CG 3.46Å; E58-R150 IonicContact OE1-CZ 2.79Å; E58-R150 IonicContact OE1-NE 2.81Å; E58-R150 PolarHBondContact OE1-NE 3.35Å; E58-R150 IonicContact OE1-NH2 3.73Å; E58-R150 IonicContact OE2-CZ 2.72Å; E58-R150 VanDerWaalsContact OE2-CZ 3.31Å; E58-R150 IonicContact OE2-NE 2.84Å; E58-R150 PolarHBondContact OE2-NE 3.46Å; E58-R150 VanDerWaalsContact OE2-NE 3.07Å; E58-R150 IonicContact OE2-NH2 2.85Å; E58-R150 PolarHBondContact OE2-NH2 3.13Å
59R94.9Very high96.2Very high156 Ų15648.8 Ų48.859%0.58922%0.224SC*.Iπ-helixtrans-92.5-38.9-174.1-65.3-176.9177.9-173.50.5114.2T54 F55 P61 I518T54-R59 HydrophobicContact CG2-CG 4.39Å; T54-R59 PolarHBondContact O-N 3.02Å; F55-R59 HydrophobicContact CD2-CB 4.47Å; R59-P61 WeakPolarHBondContact O-CD 3.35Å; R59-I518 HydrophobicContact CB-CD1 4.1Å
60Q97.4Very high96.3Very high2 Ų247.9 Ų47.91%0.00922%0.219CC..SBendtrans-81117.6-179.5-84.8-178.293.200110.9F55 I62 G63 K64 I518F55-Q60 HydrophobicContact CE1-CG 4.45Å; F55-Q60 HydrophobicContact CZ-CG 4.36Å; F55-Q60 WeakPolarHBondContact O-CB 3.13Å; F55-Q60 VanDerWaalsContact O-CG 3.32Å; F55-Q60 WeakPolarHBondContact O-CG 3.22Å; F55-Q60 PolarHBondContact O-N 2.82Å; F55-Q60 VanDerWaalsContact O-N 3.15Å; F55-Q60 PolarHBondContact O-NE2 3.4Å; Q60-I62 PolarHBondContact O-N 3.36Å; Q60-G63 PolarHBondContact O-N 3.34Å; Q60-K64 WeakPolarHBondContact O-CB 3.36Å; Q60-K64 PolarHBondContact O-N 3.42Å; Q60-I518 HydrophobicContact CG-CG1 4.41Å
61P97.9Very high96.4Very high18 Ų1842.2 Ų42.212%0.11719%0.189CC..Hα-helixtrans-55.9-45.7-173.3-29.235.1000114.7R59 K65 I518 Q521 Q522 I525R59-P61 WeakPolarHBondContact O-CD 3.35Å; P61-K65 WeakPolarHBondContact O-CB 3.5Å; P61-K65 PolarHBondContact O-N 3.2Å; P61-I518 HydrophobicContact CG-CG2 4.18Å; P61-Q521 HydrophobicContact CB-CB 4.1Å; P61-Q521 HydrophobicContact CG-CB 4.09Å; P61-Q522 HydrophobicContact CG-CB 4.14Å; P61-I525 HydrophobicContact CB-CD1 3.7Å
62I98.5Very high96.4Very high0 Ų040 Ų400%019%0.189CC..Hα-helixtrans-69.7-41.9179.2-70.8176.1000110.4Q60 K65 L66 F170 W173 W520 Q521 M524 I525 Y530Q60-I62 PolarHBondContact O-N 3.36Å; I62-K65 PolarHBondContact O-N 2.75Å; I62-L66 HydrophobicContact CG2-CD1 3.67Å; I62-L66 HydrophobicContact CG2-CG 4.36Å; I62-L66 WeakPolarHBondContact O-CB 3.42Å; I62-L66 WeakPolarHBondContact O-CG 3.34Å; I62-L66 PolarHBondContact O-N 3.06Å; I62-F170 HydrophobicContact CG2-CD2 4.34Å; I62-W173 HydrophobicContact CD1-CB 4.24Å; I62-W173 HydrophobicContact CD1-CD2 3.76Å; I62-W173 HydrophobicContact CD1-CE3 3.77Å; I62-W173 HydrophobicContact CD1-CG 3.97Å; I62-W173 HydrophobicContact CD1-CZ3 4.43Å; I62-W173 HydrophobicContact CG2-CB 4.14Å; I62-W173 HydrophobicContact CG2-CG 4.02Å; I62-W520 HydrophobicContact CD1-CZ3 4.45Å; I62-Q521 HydrophobicContact CB-CB 4.4Å; I62-Q521 HydrophobicContact CB-CG 4.24Å; I62-Q521 HydrophobicContact CD1-CB 4.04Å; I62-Q521 HydrophobicContact CD1-CG 3.86Å; I62-Q521 HydrophobicContact CG1-CB 3.92Å; I62-Q521 HydrophobicContact CG1-CG 4.06Å; I62-M524 HydrophobicContact CD1-CB 4.22Å; I62-I525 HydrophobicContact CG1-CD1 3.94Å; I62-I525 HydrophobicContact CG1-CG1 4.08Å; I62-Y530 HydrophobicContact CB-CE2 4.47Å; I62-Y530 HydrophobicContact CD1-CD2 3.84Å; I62-Y530 HydrophobicContact CD1-CE2 4.38Å; I62-Y530 HydrophobicContact CG1-CD2 3.84Å; I62-Y530 HydrophobicContact CG1-CE2 4.13Å; I62-Y530 HydrophobicContact CG2-CD2 4.25Å; I62-Y530 HydrophobicContact CG2-CE2 3.73Å
63G98.1Very high96.2Very high0 Ų040.3 Ų40.30%020%0.195CC..Hα-helixtrans-62.9-42.5177.500000112.4I56 Q60 L66 F67I56-G63 CarbonylContact O-C 3.27Å; I56-G63 VanDerWaalsContact O-CA 3.28Å; I56-G63 WeakPolarHBondContact O-CA 3.45Å; Q60-G63 PolarHBondContact O-N 3.34Å; G63-L66 PolarHBondContact O-N 3.13Å; G63-F67 VanDerWaalsContact O-CB 3.27Å; G63-F67 WeakPolarHBondContact O-CB 3.45Å; G63-F67 PolarHBondContact O-N 2.98Å
64K97.4Very high96Very high98 Ų9841.2 Ų41.243%0.42620%0.202SC..Hα-helixtrans-60.3-46.5172.7-178.3176.1-176.5178.10112.1I56 C57 Q60 R68I56-K64 PolarHBondContact O-N 2.96Å; C57-K64 WeakPolarHBondContact O-CA 3.38Å; C57-K64 VanDerWaalsContact O-CB 3.24Å; C57-K64 WeakPolarHBondContact O-CB 3.31Å; C57-K64 WeakPolarHBondContact O-CG 3.36Å; Q60-K64 WeakPolarHBondContact O-CB 3.36Å; Q60-K64 PolarHBondContact O-N 3.42Å; K64-R68 WeakPolarHBondContact O-CB 3.47Å; K64-R68 WeakPolarHBondContact O-CG 3.38Å; K64-R68 PolarHBondContact O-N 3.26Å
65K97.1Very high95.6Very high73 Ų7345.8 Ų45.832%0.31723%0.232SC..Hα-helixtrans-60.1-52.1177.9-174.7177174.370.20111.2P61 I62 F67 R68 D69 Y530P61-K65 WeakPolarHBondContact O-CB 3.5Å; P61-K65 PolarHBondContact O-N 3.2Å; I62-K65 PolarHBondContact O-N 2.75Å; K65-F67 PolarHBondContact O-N 3.3Å; K65-R68 PolarHBondContact O-N 3.1Å; K65-R68 VanDerWaalsContact O-N 3.17Å; K65-D69 VanDerWaalsContact O-CG 3.28Å; K65-D69 PolarHBondContact O-N 3.45Å; K65-Y530 HydrophobicContact CD-CD1 4.16Å; K65-Y530 HydrophobicContact CD-CE1 3.65Å
66L97.8Very high95.3Very high5 Ų548.7 Ų48.73%0.02625%0.247CC..Hα-helixtrans-63.7-38.8-179.8-74.7167.9000112.9I62 G63 R68 D69 F70 Y161 F166 K169 F170 Y530I62-L66 HydrophobicContact CG2-CD1 3.67Å; I62-L66 HydrophobicContact CG2-CG 4.36Å; I62-L66 WeakPolarHBondContact O-CB 3.42Å; I62-L66 WeakPolarHBondContact O-CG 3.34Å; I62-L66 PolarHBondContact O-N 3.06Å; G63-L66 PolarHBondContact O-N 3.13Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-D69 PolarHBondContact O-N 3.49Å; L66-F70 WeakPolarHBondContact O-CB 3.31Å; L66-F70 PolarHBondContact O-N 3.34Å; L66-Y161 HydrophobicContact CB-CE2 4.39Å; L66-F166 HydrophobicContact CD2-CD1 4.25Å; L66-K169 HydrophobicContact CD1-CB 4.32Å; L66-K169 HydrophobicContact CD1-CG 4.31Å; L66-K169 HydrophobicContact CD2-CB 4.25Å; L66-K169 HydrophobicContact CD2-CG 4.09Å; L66-F170 HydrophobicContact CD1-CB 3.66Å; L66-Y530 VanDerWaalsContact CD2-OH 3.27Å; L66-Y530 WeakPolarHBondContact CD2-OH 3.13Å
67F97.8Very high95Very high6 Ų648.9 Ų48.93%0.02625%0.247CC..Hα-helixtrans-64.3-41.1174.7-175.4-120000111.5F53 C57 G63 K65 F70 L71 L153 P157 Y161F53-F67 HydrophobicContact CE2-CD1 4.35Å; F53-F67 AromaticContact CE2-CE1 3.57Å; F53-F67 HydrophobicContact CE2-CE1 3.57Å; F53-F67 AromaticContact CE2-CZ 3.72Å; F53-F67 HydrophobicContact CE2-CZ 3.72Å; F53-F67 HydrophobicContact CZ-CE1 4.04Å; C57-F67 HydrophobicContact CB-CB 4.1Å; C57-F67 HydrophobicContact CB-CD1 3.65Å; C57-F67 HydrophobicContact CB-CE1 4.19Å; C57-F67 HydrophobicContact CB-CG 3.87Å; G63-F67 VanDerWaalsContact O-CB 3.27Å; G63-F67 WeakPolarHBondContact O-CB 3.45Å; G63-F67 PolarHBondContact O-N 2.98Å; K65-F67 PolarHBondContact O-N 3.3Å; F67-F70 HydrophobicContact CD2-CD1 4.11Å; F67-F70 HydrophobicContact CE2-CD1 4.09Å; F67-F70 HydrophobicContact CE2-CE1 4.42Å; F67-F70 WeakPolarHBondContact O-CB 3.3Å; F67-F70 PolarHBondContact O-N 3.47Å; F67-L71 HydrophobicContact CD1-CD1 3.92Å; F67-L71 HydrophobicContact CD1-CG 4.37Å; F67-L71 HydrophobicContact CE1-CD1 3.6Å; F67-L71 HydrophobicContact CE1-CD2 4.26Å; F67-L71 HydrophobicContact CE1-CG 4.11Å; F67-L71 HydrophobicContact CE2-CD2 4.12Å; F67-L71 HydrophobicContact CE2-CG 4.33Å; F67-L71 HydrophobicContact CZ-CD1 4.02Å; F67-L71 HydrophobicContact CZ-CD2 3.81Å; F67-L71 HydrophobicContact CZ-CG 4.08Å; F67-L71 VanDerWaalsContact O-CG 3.31Å; F67-L71 WeakPolarHBondContact O-CG 3.4Å; F67-L71 PolarHBondContact O-N 3.36Å; F67-L153 HydrophobicContact CE1-CD2 4.44Å; F67-L153 HydrophobicContact CZ-CB 4.47Å; F67-L153 HydrophobicContact CZ-CD2 4.3Å; F67-P157 HydrophobicContact CZ-CB 4.43Å; F67-Y161 HydrophobicContact CB-CE1 4.42Å; F67-Y161 HydrophobicContact CB-CE2 4.32Å; F67-Y161 AromaticContact CD2-CD1 3.77Å; F67-Y161 HydrophobicContact CD2-CD1 3.77Å; F67-Y161 AromaticContact CD2-CD2 3.9Å; F67-Y161 HydrophobicContact CD2-CD2 3.9Å; F67-Y161 HydrophobicContact CD2-CE1 4.26Å; F67-Y161 HydrophobicContact CD2-CE2 4.39Å; F67-Y161 AromaticContact CD2-CG 3.56Å; F67-Y161 HydrophobicContact CD2-CG 3.56Å; F67-Y161 HydrophobicContact CE2-CD1 4.39Å; F67-Y161 HydrophobicContact CE2-CG 4.12Å
68R95.3Very high94.8Very high85 Ų8553.2 Ų53.232%0.32127%0.266SS..Hα-helixtrans-66.5-38.6176.3-70.6171.366.190.85.9112.7K64 K65 L66 F70 L71 S72 D85K64-R68 WeakPolarHBondContact O-CB 3.47Å; K64-R68 WeakPolarHBondContact O-CG 3.38Å; K64-R68 PolarHBondContact O-N 3.26Å; K65-R68 PolarHBondContact O-N 3.1Å; K65-R68 VanDerWaalsContact O-N 3.17Å; L66-R68 VanDerWaalsContact C-N 3.35Å; R68-F70 VanDerWaalsContact C-N 3.31Å; R68-L71 PolarHBondContact O-N 3.18Å; R68-S72 WeakPolarHBondContact O-CB 3.44Å; R68-S72 PolarHBondContact O-N 2.92Å; R68-S72 PolarHBondContact O-OG 3.17Å; R68-D85 IonicContact CZ-OD1 3.4Å; R68-D85 IonicContact CZ-OD2 3.57Å; R68-D85 IonicContact NH1-OD1 2.65Å; R68-D85 PolarHBondContact NH1-OD1 3.01Å; R68-D85 IonicContact NH1-OD2 2.82Å; R68-D85 IonicContact NH2-OD1 3.14Å; R68-D85 PolarHBondContact NH2-OD1 3.36Å; R68-D85 IonicContact NH2-OD2 2.74Å; R68-D85 PolarHBondContact NH2-OD2 2.94Å
69D94.8Very high94.7Very high64 Ų6451.6 Ų51.634%0.34226%0.259SS..Hα-helixtrans-62.4-42.2173.7-65.7-20.8000110.4K65 L66 S72 S73 F166K65-D69 VanDerWaalsContact O-CG 3.28Å; K65-D69 PolarHBondContact O-N 3.45Å; L66-D69 PolarHBondContact O-N 3.49Å; D69-S72 PolarHBondContact O-N 3.49Å; D69-S73 PolarHBondContact O-N 3.28Å; D69-F166 HydrophobicContact CB-CD1 4.17Å; D69-F166 HydrophobicContact CB-CE1 3.81Å
70F97.2Very high94.6Very high13 Ų1344.2 Ų44.26%0.05723%0.231CC..Hα-helixtrans-59.4-51173166.2-101.7000112.6L66 F67 R68 S72 S73 T74 F77 P157 D160 Y161 F166L66-F70 WeakPolarHBondContact O-CB 3.31Å; L66-F70 PolarHBondContact O-N 3.34Å; F67-F70 HydrophobicContact CD2-CD1 4.11Å; F67-F70 HydrophobicContact CE2-CD1 4.09Å; F67-F70 HydrophobicContact CE2-CE1 4.42Å; F67-F70 WeakPolarHBondContact O-CB 3.3Å; F67-F70 PolarHBondContact O-N 3.47Å; R68-F70 VanDerWaalsContact C-N 3.31Å; F70-S72 VanDerWaalsContact C-N 3.27Å; F70-S72 PolarHBondContact O-N 3.2Å; F70-S73 PolarHBondContact O-N 3.36Å; F70-S73 VanDerWaalsContact O-N 3.13Å; F70-S73 PolarHBondContact O-OG 2.8Å; F70-T74 PolarHBondContact O-N 3.28Å; F70-T74 PolarHBondContact O-OG1 2.85Å; F70-T74 VanDerWaalsContact O-OG1 3.04Å; F70-F77 AromaticContact CE1-CD2 3.79Å; F70-F77 HydrophobicContact CE1-CD2 3.79Å; F70-F77 AromaticContact CE1-CE2 3.95Å; F70-F77 HydrophobicContact CE1-CE2 3.95Å; F70-F77 HydrophobicContact CZ-CD2 4.02Å; F70-F77 AromaticContact CZ-CE2 3.82Å; F70-F77 HydrophobicContact CZ-CE2 3.82Å; F70-P157 WeakPolarHBondContact CE1-O 3.19Å; F70-D160 HydrophobicContact CZ-CB 3.81Å; F70-Y161 HydrophobicContact CB-CD2 3.89Å; F70-Y161 HydrophobicContact CB-CE2 4.43Å; F70-Y161 HydrophobicContact CD1-CD2 4.1Å; F70-Y161 HydrophobicContact CD1-CG 4.36Å; F70-Y161 AromaticContact CG-CD2 3.92Å; F70-Y161 HydrophobicContact CG-CD2 3.92Å; F70-F166 HydrophobicContact CB-CB 4.27Å; F70-F166 HydrophobicContact CB-CD1 4.48Å; F70-F166 HydrophobicContact CB-CD2 3.74Å; F70-F166 HydrophobicContact CB-CE2 4.13Å; F70-F166 HydrophobicContact CB-CG 3.93Å; F70-F166 AromaticContact CD2-CD2 3.84Å; F70-F166 HydrophobicContact CD2-CD2 3.84Å; F70-F166 HydrophobicContact CD2-CE2 4.16Å; F70-F166 HydrophobicContact CG-CD2 4.28Å
71L95.8Very high94.3Very high4 Ų444.4 Ų44.42%0.02123%0.233CC..Hα-helixtrans-59.1-39.9178.3-65.1174.5000111.5F67 R68 S73 T74 F77 K78 A81 L153 P157F67-L71 HydrophobicContact CD1-CD1 3.92Å; F67-L71 HydrophobicContact CD1-CG 4.37Å; F67-L71 HydrophobicContact CE1-CD1 3.6Å; F67-L71 HydrophobicContact CE1-CD2 4.26Å; F67-L71 HydrophobicContact CE1-CG 4.11Å; F67-L71 HydrophobicContact CE2-CD2 4.12Å; F67-L71 HydrophobicContact CE2-CG 4.33Å; F67-L71 HydrophobicContact CZ-CD1 4.02Å; F67-L71 HydrophobicContact CZ-CD2 3.81Å; F67-L71 HydrophobicContact CZ-CG 4.08Å; F67-L71 VanDerWaalsContact O-CG 3.31Å; F67-L71 WeakPolarHBondContact O-CG 3.4Å; F67-L71 PolarHBondContact O-N 3.36Å; R68-L71 PolarHBondContact O-N 3.18Å; L71-S73 VanDerWaalsContact C-N 3.31Å; L71-S73 PolarHBondContact O-N 2.97Å; L71-T74 PolarHBondContact O-N 3.02Å; L71-T74 VanDerWaalsContact O-O 3.07Å; L71-F77 HydrophobicContact CB-CB 4.47Å; L71-F77 HydrophobicContact CD2-CB 3.46Å; L71-F77 VanDerWaalsContact CD2-CB 3.46Å; L71-F77 HydrophobicContact CD2-CD2 4.2Å; L71-F77 HydrophobicContact CD2-CG 4.12Å; L71-K78 PolarHBondContact O-N 2.69Å; L71-A81 HydrophobicContact CB-CB 4.04Å; L71-A81 HydrophobicContact CD1-CB 3.98Å; L71-L153 HydrophobicContact CD1-CD2 4.01Å; L71-L153 HydrophobicContact CD2-CD2 3.8Å; L71-P157 HydrophobicContact CD2-CB 4.16Å
72S91.4Very high94.1Very high72 Ų7246.3 Ų46.350%0.50324%0.24SC..Hα-helixtrans-68.6-30.6179.2-58.50000112.7R68 D69 F70 T74R68-S72 WeakPolarHBondContact O-CB 3.44Å; R68-S72 PolarHBondContact O-N 2.92Å; R68-S72 PolarHBondContact O-OG 3.17Å; D69-S72 PolarHBondContact O-N 3.49Å; F70-S72 VanDerWaalsContact C-N 3.27Å; F70-S72 PolarHBondContact O-N 3.2Å; S72-T74 VanDerWaalsContact C-N 3.33Å
73S92.3Very high94Very high70 Ų7046.3 Ų46.349%0.4924%0.24SC..Hα-helixtrans-79.3-13.2176.274.80000114D69 F70 L71D69-S73 PolarHBondContact O-N 3.28Å; F70-S73 PolarHBondContact O-N 3.36Å; F70-S73 VanDerWaalsContact O-N 3.13Å; F70-S73 PolarHBondContact O-OG 2.8Å; L71-S73 VanDerWaalsContact C-N 3.31Å; L71-S73 PolarHBondContact O-N 2.97Å
74T91.6Very high93.8Very high30 Ų3048.4 Ų48.418%0.18425%0.251CS..  trans-113.4106.1-174.2-52.20000110.5F70 L71 S72 E76 F77 K78F70-T74 PolarHBondContact O-N 3.28Å; F70-T74 PolarHBondContact O-OG1 2.85Å; F70-T74 VanDerWaalsContact O-OG1 3.04Å; L71-T74 PolarHBondContact O-N 3.02Å; L71-T74 VanDerWaalsContact O-O 3.07Å; S72-T74 VanDerWaalsContact C-N 3.33Å; T74-E76 HydrophobicContact CG2-CB 4.38Å; T74-E76 PolarHBondContact O-N 3.35Å; T74-F77 HydrophobicContact CG2-CD2 3.53Å; T74-F77 HydrophobicContact CG2-CE2 3.71Å; T74-F77 HydrophobicContact CG2-CG 4.2Å; T74-F77 PolarHBondContact O-N 2.7Å; T74-K78 PolarHBondContact O-N 2.7Å; T74-K78 VanDerWaalsContact O-N 3.13Å
75P88.4Confident93.6Very high118 Ų11846 Ų4677%0.76624%0.244SC*.Hα-helixtrans-53.4-32.9-174.9-28.935.6000114.8F77P75-F77 VanDerWaalsContact C-N 3.3Å; P75-F77 PolarHBondContact O-N 3.23Å
76E88Confident93.5Very high137 Ų13745.4 Ų45.464%0.6424%0.242SC*.Hα-helixtrans-65.4-29.4179.5-62.4-178.4-174.600113.4T74T74-E76 HydrophobicContact CG2-CB 4.38Å; T74-E76 PolarHBondContact O-N 3.35Å
77F92.4Very high93.4Very high4 Ų445.4 Ų45.42%0.01824%0.242CC..Hα-helixtrans-109.2-15.6-173.2-49.5-37.8000113.7F70 L71 T74 P75 L79 A80 A81 F152 K156 P157 D160F70-F77 AromaticContact CE1-CD2 3.79Å; F70-F77 HydrophobicContact CE1-CD2 3.79Å; F70-F77 AromaticContact CE1-CE2 3.95Å; F70-F77 HydrophobicContact CE1-CE2 3.95Å; F70-F77 HydrophobicContact CZ-CD2 4.02Å; F70-F77 AromaticContact CZ-CE2 3.82Å; F70-F77 HydrophobicContact CZ-CE2 3.82Å; L71-F77 HydrophobicContact CB-CB 4.47Å; L71-F77 HydrophobicContact CD2-CB 3.46Å; L71-F77 VanDerWaalsContact CD2-CB 3.46Å; L71-F77 HydrophobicContact CD2-CD2 4.2Å; L71-F77 HydrophobicContact CD2-CG 4.12Å; T74-F77 HydrophobicContact CG2-CD2 3.53Å; T74-F77 HydrophobicContact CG2-CE2 3.71Å; T74-F77 HydrophobicContact CG2-CG 4.2Å; T74-F77 PolarHBondContact O-N 2.7Å; P75-F77 VanDerWaalsContact C-N 3.3Å; P75-F77 PolarHBondContact O-N 3.23Å; F77-L79 PolarHBondContact O-N 3.06Å; F77-L79 VanDerWaalsContact O-N 3.16Å; F77-A80 WeakPolarHBondContact O-CB 3.37Å; F77-A80 PolarHBondContact O-N 3.1Å; F77-A81 PolarHBondContact O-N 3Å; F77-F152 HydrophobicContact CD1-CE1 4.27Å; F77-F152 AromaticContact CD1-CZ 3.94Å; F77-F152 HydrophobicContact CD1-CZ 3.94Å; F77-F152 HydrophobicContact CE1-CZ 4.24Å; F77-K156 HydrophobicContact CZ-CG 4.33Å; F77-P157 HydrophobicContact CD1-CB 4.12Å; F77-P157 HydrophobicContact CD1-CG 3.7Å; F77-P157 HydrophobicContact CD2-CB 4.05Å; F77-P157 HydrophobicContact CE1-CB 4.23Å; F77-P157 HydrophobicContact CE1-CG 3.73Å; F77-P157 HydrophobicContact CE2-CB 4.15Å; F77-P157 HydrophobicContact CG-CB 4.05Å; F77-P157 HydrophobicContact CG-CG 4.13Å; F77-P157 HydrophobicContact CZ-CB 4.24Å; F77-P157 HydrophobicContact CZ-CG 4.16Å; F77-D160 HydrophobicContact CE2-CB 4.29Å; F77-D160 WeakPolarHBondContact CZ-OD2 3.31Å
78K91.6Very high93.2Very high97 Ų9751.1 Ų51.142%0.42226%0.264SS..Hα-helixtrans-50.8-41.3-178.6-174.4177.2-176-168.20113.1L71 T74 A80 A81 E82L71-K78 PolarHBondContact O-N 2.69Å; T74-K78 PolarHBondContact O-N 2.7Å; T74-K78 VanDerWaalsContact O-N 3.13Å; K78-A80 VanDerWaalsContact C-N 3.31Å; K78-A80 PolarHBondContact O-N 3.05Å; K78-A81 PolarHBondContact O-N 2.76Å; K78-E82 WeakPolarHBondContact CE-OE1 3.33Å; K78-E82 HydrophobicContact CG-CG 4.37Å; K78-E82 IonicContact NZ-OE1 3.75Å; K78-E82 WeakPolarHBondContact O-CG 3.4Å; K78-E82 PolarHBondContact O-N 2.91Å
79L92.9Very high93.1Very high32 Ų3251.8 Ų51.817%0.16827%0.274CS..Hα-helixtrans-61.8-36.9-178.3-174.466.2000113F77 F83 Y109 L118 F120F77-L79 PolarHBondContact O-N 3.06Å; F77-L79 VanDerWaalsContact O-N 3.16Å; L79-F83 WeakPolarHBondContact O-CB 3.31Å; L79-F83 PolarHBondContact O-N 3.04Å; L79-F83 VanDerWaalsContact O-N 3.1Å; L79-Y109 HydrophobicContact CD1-CD1 4.2Å; L79-Y109 HydrophobicContact CD1-CE1 3.68Å; L79-Y109 HydrophobicContact CG-CE1 4.41Å; L79-L118 HydrophobicContact CD2-CD2 4.13Å; L79-L118 HydrophobicContact CG-CD2 4Å; L79-F120 HydrophobicContact CD2-CE1 4.3Å; L79-F120 HydrophobicContact CG-CE1 4.45Å
80A92.9Very high93.2Very high0 Ų049.1 Ų49.10%026%0.259CS..Hα-helixtrans-67.9-39.5177.700000111.7F77 K78 L84 F120 V149 F152 L153F77-A80 WeakPolarHBondContact O-CB 3.37Å; F77-A80 PolarHBondContact O-N 3.1Å; K78-A80 VanDerWaalsContact C-N 3.31Å; K78-A80 PolarHBondContact O-N 3.05Å; A80-L84 WeakPolarHBondContact O-CG 3.45Å; A80-L84 PolarHBondContact O-N 3.28Å; A80-F120 HydrophobicContact CB-CE1 4.03Å; A80-F120 HydrophobicContact CB-CE2 4.28Å; A80-F120 HydrophobicContact CB-CZ 3.6Å; A80-V149 HydrophobicContact CB-CG1 3.99Å; A80-F152 HydrophobicContact CB-CD1 4.22Å; A80-F152 HydrophobicContact CB-CE1 4.15Å; A80-L153 HydrophobicContact CB-CD2 3.99Å; A80-L153 HydrophobicContact CB-CG 4.47Å
81A91.6Very high93Very high6 Ų649.7 Ų49.75%0.0526%0.262CS..Hα-helixtrans-65.7-49.2175.800000111.6L71 F77 K78 F83 L84 D85L71-A81 HydrophobicContact CB-CB 4.04Å; L71-A81 HydrophobicContact CD1-CB 3.98Å; F77-A81 PolarHBondContact O-N 3Å; K78-A81 PolarHBondContact O-N 2.76Å; A81-F83 VanDerWaalsContact C-N 3.27Å; A81-F83 PolarHBondContact O-N 2.67Å; A81-L84 PolarHBondContact O-N 3.38Å; A81-D85 PolarHBondContact O-N 2.95Å; A81-D85 VanDerWaalsContact O-N 3.1Å
82E93.8Very high92.9Very high58 Ų5850.4 Ų50.427%0.27127%0.266SS..Hα-helixtrans-56.8-41.8178.1-72.3-178.9-171.500111.9K78 D85 E86 K108K78-E82 WeakPolarHBondContact CE-OE1 3.33Å; K78-E82 HydrophobicContact CG-CG 4.37Å; K78-E82 IonicContact NZ-OE1 3.75Å; K78-E82 WeakPolarHBondContact O-CG 3.4Å; K78-E82 PolarHBondContact O-N 2.91Å; E82-D85 PolarHBondContact O-N 3.41Å; E82-E86 WeakPolarHBondContact O-CG 3.13Å; E82-E86 PolarHBondContact O-N 3.26Å; E82-K108 IonicContact OE2-NZ 3.91Å; E82-K108 PolarHBondContact OE2-NZ 3.31Å; E82-K108 VanDerWaalsContact OE2-NZ 3.12Å
83F95.3Very high93Very high0 Ų047.7 Ų47.70%025%0.249CC..Hα-helixtrans-59.3-48177.6168.6-103.3000112.6L79 A81 D85 E86 L87 I105 Y109 L118 M141 V145 V149L79-F83 WeakPolarHBondContact O-CB 3.31Å; L79-F83 PolarHBondContact O-N 3.04Å; L79-F83 VanDerWaalsContact O-N 3.1Å; A81-F83 VanDerWaalsContact C-N 3.27Å; A81-F83 PolarHBondContact O-N 2.67Å; F83-D85 VanDerWaalsContact C-N 3.26Å; F83-D85 PolarHBondContact O-N 3.39Å; F83-E86 PolarHBondContact O-N 3.01Å; F83-L87 HydrophobicContact CE1-CD2 4.13Å; F83-L87 HydrophobicContact CZ-CB 4.47Å; F83-L87 HydrophobicContact CZ-CD2 3.88Å; F83-L87 VanDerWaalsContact O-CB 3.29Å; F83-L87 WeakPolarHBondContact O-CB 3.44Å; F83-L87 PolarHBondContact O-N 2.95Å; F83-I105 HydrophobicContact CE2-CG2 4.28Å; F83-Y109 HydrophobicContact CB-CD1 4.18Å; F83-Y109 HydrophobicContact CB-CE1 3.81Å; F83-Y109 HydrophobicContact CB-CE2 4.46Å; F83-Y109 HydrophobicContact CD2-CD1 4.15Å; F83-Y109 AromaticContact CD2-CD2 3.76Å; F83-Y109 HydrophobicContact CD2-CD2 3.76Å; F83-Y109 HydrophobicContact CD2-CE1 4.4Å; F83-Y109 HydrophobicContact CD2-CE2 4.04Å; F83-Y109 AromaticContact CD2-CG 3.8Å; F83-Y109 HydrophobicContact CD2-CG 3.8Å; F83-Y109 HydrophobicContact CE2-CD2 4.46Å; F83-Y109 PolarHBondContact N-OH 2.82Å; F83-L118 HydrophobicContact CB-CD2 4.24Å; F83-L118 HydrophobicContact CD1-CD1 4.39Å; F83-L118 HydrophobicContact CD2-CD1 4.06Å; F83-L118 HydrophobicContact CE2-CD1 4.3Å; F83-L118 HydrophobicContact CG-CD1 4.1Å; F83-L118 HydrophobicContact CG-CD2 4.45Å; F83-M141 HydrophobicContact CE2-CE 3.33Å; F83-M141 HydrophobicContact CZ-CE 3.68Å; F83-V145 HydrophobicContact CE1-CG1 4.02Å; F83-V145 HydrophobicContact CE2-CG1 4.34Å; F83-V145 HydrophobicContact CZ-CB 4.41Å; F83-V145 HydrophobicContact CZ-CG1 3.61Å; F83-V149 HydrophobicContact CD1-CB 4.3Å; F83-V149 HydrophobicContact CD1-CG1 4.25Å; F83-V149 HydrophobicContact CD1-CG2 3.66Å; F83-V149 HydrophobicContact CE1-CB 4.42Å; F83-V149 HydrophobicContact CE1-CG2 3.75Å
84L93.8Very high92.9Very high44 Ų4449.2 Ų49.223%0.2325%0.248CC..Hα-helixtrans-64.8-34-179.4-68.8176.4000111.8A80 A81 Y88 Q146 V149 L153A80-L84 WeakPolarHBondContact O-CG 3.45Å; A80-L84 PolarHBondContact O-N 3.28Å; A81-L84 PolarHBondContact O-N 3.38Å; L84-Y88 VanDerWaalsContact O-CB 3.31Å; L84-Y88 WeakPolarHBondContact O-CB 3.37Å; L84-Y88 PolarHBondContact O-N 2.93Å; L84-Q146 HydrophobicContact CD2-CG 4.05Å; L84-V149 HydrophobicContact CD1-CG1 4.15Å; L84-V149 HydrophobicContact CD2-CG1 4.16Å; L84-V149 HydrophobicContact CG-CG1 4.04Å; L84-L153 HydrophobicContact CD1-CD1 3.63Å
85D93Very high92.9Very high49 Ų4950.8 Ų50.826%0.26227%0.27SS..Hα-helixtrans-69.2-50176.9-67.3-13.6000111.8R68 A81 E82 F83 L87 Y88 D89R68-D85 IonicContact CZ-OD1 3.4Å; R68-D85 IonicContact CZ-OD2 3.57Å; R68-D85 IonicContact NH1-OD1 2.65Å; R68-D85 PolarHBondContact NH1-OD1 3.01Å; R68-D85 IonicContact NH1-OD2 2.82Å; R68-D85 IonicContact NH2-OD1 3.14Å; R68-D85 PolarHBondContact NH2-OD1 3.36Å; R68-D85 IonicContact NH2-OD2 2.74Å; R68-D85 PolarHBondContact NH2-OD2 2.94Å; A81-D85 PolarHBondContact O-N 2.95Å; A81-D85 VanDerWaalsContact O-N 3.1Å; E82-D85 PolarHBondContact O-N 3.41Å; F83-D85 VanDerWaalsContact C-N 3.26Å; F83-D85 PolarHBondContact O-N 3.39Å; D85-L87 VanDerWaalsContact C-N 3.28Å; D85-L87 PolarHBondContact O-N 3.2Å; D85-Y88 WeakPolarHBondContact O-CB 3.29Å; D85-Y88 PolarHBondContact O-N 3.25Å; D85-Y88 VanDerWaalsContact O-N 3.14Å; D85-D89 PolarHBondContact O-N 3.34Å
86E96Very high93.2Very high59 Ų5949.3 Ų49.328%0.27627%0.268SS..Hα-helixtrans-63-37.3178.2-71.6-177.7-153.600111.4E82 F83 D89 W90 I105 K108 Y109E82-E86 WeakPolarHBondContact O-CG 3.13Å; E82-E86 PolarHBondContact O-N 3.26Å; F83-E86 PolarHBondContact O-N 3.01Å; E86-D89 PolarHBondContact O-N 2.58Å; E86-W90 VanDerWaalsContact O-CB 3.31Å; E86-W90 WeakPolarHBondContact O-CB 3.34Å; E86-W90 PolarHBondContact O-N 3.28Å; E86-I105 HydrophobicContact CB-CD1 4.33Å; E86-I105 HydrophobicContact CB-CG1 4.15Å; E86-I105 WeakPolarHBondContact O-CD1 3.21Å; E86-K108 IonicContact OE1-NZ 3.76Å; E86-K108 PolarHBondContact OE1-NZ 2.98Å; E86-K108 IonicContact OE2-NZ 3.58Å; E86-Y109 HydrophobicContact CB-CE2 4.44Å; E86-Y109 VanDerWaalsContact CD-OH 3.23Å; E86-Y109 PolarHBondContact OE1-OH 2.67Å; E86-Y109 VanDerWaalsContact OE1-OH 3.11Å; E86-Y109 VanDerWaalsContact OE2-CE2 3.26Å; E86-Y109 WeakPolarHBondContact OE2-CE2 3.42Å; E86-Y109 PolarHBondContact OE2-OH 3.44Å
87L95.6Very high93.5Very high5 Ų547.4 Ų47.43%0.02627%0.266CS..Hα-helixtrans-65.6-40.3174.6-174.665000112F83 D85 W90 D91 F137 M141 Q146F83-L87 HydrophobicContact CE1-CD2 4.13Å; F83-L87 HydrophobicContact CZ-CB 4.47Å; F83-L87 HydrophobicContact CZ-CD2 3.88Å; F83-L87 VanDerWaalsContact O-CB 3.29Å; F83-L87 WeakPolarHBondContact O-CB 3.44Å; F83-L87 PolarHBondContact O-N 2.95Å; D85-L87 VanDerWaalsContact C-N 3.28Å; D85-L87 PolarHBondContact O-N 3.2Å; L87-W90 HydrophobicContact CD1-CE3 3.85Å; L87-W90 HydrophobicContact CD1-CZ3 4.25Å; L87-D91 PolarHBondContact O-N 3.34Å; L87-D91 VanDerWaalsContact O-N 3.1Å; L87-F137 HydrophobicContact CD1-CE1 4.5Å; L87-M141 HydrophobicContact CD1-CB 3.79Å; L87-Q146 HydrophobicContact CD2-CB 4.1Å; L87-Q146 HydrophobicContact CD2-CG 4.41Å
88Y92.9Very high93.6Very high127 Ų12749.6 Ų49.650%0.49828%0.275SS..Hα-helixtrans-65-47.1175.5179.4-103.7000111.5L84 D85 W90 D91 L92L84-Y88 VanDerWaalsContact O-CB 3.31Å; L84-Y88 WeakPolarHBondContact O-CB 3.37Å; L84-Y88 PolarHBondContact O-N 2.93Å; D85-Y88 WeakPolarHBondContact O-CB 3.29Å; D85-Y88 PolarHBondContact O-N 3.25Å; D85-Y88 VanDerWaalsContact O-N 3.14Å; Y88-W90 VanDerWaalsContact C-N 3.29Å; Y88-W90 PolarHBondContact O-N 2.96Å; Y88-D91 WeakPolarHBondContact O-CB 3.14Å; Y88-D91 PolarHBondContact O-N 3.43Å; Y88-L92 HydrophobicContact CD1-CD1 3.99Å; Y88-L92 HydrophobicContact CE1-CD1 3.39Å; Y88-L92 HydrophobicContact CE1-CG 4.33Å; Y88-L92 HydrophobicContact CE2-CD1 4.37Å; Y88-L92 WeakPolarHBondContact O-CG 3.13Å; Y88-L92 PolarHBondContact O-N 3.08Å
89D94.8Very high93.8Very high99 Ų9948.7 Ų48.753%0.52927%0.273SS..Hα-helixtrans-61.6-38.4177.6-72.6-16.9000111.7D85 E86 D91 L92 A93D85-D89 PolarHBondContact O-N 3.34Å; E86-D89 PolarHBondContact O-N 2.58Å; D89-D91 VanDerWaalsContact C-N 3.35Å; D89-L92 PolarHBondContact O-N 2.93Å; D89-A93 WeakPolarHBondContact O-CB 3.43Å; D89-A93 PolarHBondContact O-N 3.18Å
90W95.3Very high93.9Very high8 Ų853.3 Ų53.33%0.0329%0.291CS..Hα-helixtrans-62-39.9172.8166.881.5000112.6E86 L87 Y88 L92 A93 K98 A101 I105 F137 E138 K142E86-W90 VanDerWaalsContact O-CB 3.31Å; E86-W90 WeakPolarHBondContact O-CB 3.34Å; E86-W90 PolarHBondContact O-N 3.28Å; L87-W90 HydrophobicContact CD1-CE3 3.85Å; L87-W90 HydrophobicContact CD1-CZ3 4.25Å; Y88-W90 VanDerWaalsContact C-N 3.29Å; Y88-W90 PolarHBondContact O-N 2.96Å; W90-L92 PolarHBondContact O-N 2.88Å; W90-A93 PolarHBondContact O-N 3.14Å; W90-K98 VanDerWaalsContact CD1-O 3.24Å; W90-K98 PolarHBondContact NE1-O 2.84Å; W90-K98 WeakPolarHBondContact O-CE 3.35Å; W90-A101 HydrophobicContact CB-CB 4.17Å; W90-A101 HydrophobicContact CG-CB 4.48Å; W90-I105 HydrophobicContact CB-CD1 3.65Å; W90-I105 HydrophobicContact CG-CD1 4.11Å; W90-F137 AromaticContact CD2-CE1 3.67Å; W90-F137 HydrophobicContact CD2-CE1 3.67Å; W90-F137 HydrophobicContact CD2-CZ 4.49Å; W90-F137 AromaticContact CE2-CD1 3.88Å; W90-F137 AromaticContact CE2-CE1 3.43Å; W90-F137 VanDerWaalsContact CE2-CE1 3.43Å; W90-F137 AromaticContact CE3-CE1 3.95Å; W90-F137 HydrophobicContact CE3-CE1 3.95Å; W90-F137 HydrophobicContact CG-CE1 4.32Å; W90-F137 AromaticContact CH2-CD1 3.86Å; W90-F137 HydrophobicContact CH2-CD1 3.86Å; W90-F137 AromaticContact CH2-CE1 3.83Å; W90-F137 HydrophobicContact CH2-CE1 3.83Å; W90-F137 AromaticContact CZ2-CD1 3.54Å; W90-F137 HydrophobicContact CZ2-CD1 3.54Å; W90-F137 AromaticContact CZ2-CE1 3.53Å; W90-F137 HydrophobicContact CZ2-CE1 3.53Å; W90-F137 HydrophobicContact CZ3-CD1 4.45Å; W90-F137 HydrophobicContact CZ3-CE1 4.01Å; W90-F137 AromaticContact NE1-CE1 3.91Å; W90-E138 HydrophobicContact CH2-CB 3.75Å; W90-E138 HydrophobicContact CH2-CG 3.82Å; W90-E138 HydrophobicContact CZ2-CB 4.45Å; W90-K142 HydrophobicContact CZ3-CD 4.05Å; W90-K142 HydrophobicContact CZ3-CG 4.15Å
91D93.4Very high94.1Very high24 Ų2454.3 Ų54.313%0.12830%0.299CS..Hα-helixtrans-62-36.7179.1-159.334.9000111.2L87 Y88 D89 K98 K142L87-D91 PolarHBondContact O-N 3.34Å; L87-D91 VanDerWaalsContact O-N 3.1Å; Y88-D91 WeakPolarHBondContact O-CB 3.14Å; Y88-D91 PolarHBondContact O-N 3.43Å; D89-D91 VanDerWaalsContact C-N 3.35Å; D91-K98 PolarHBondContact O-NZ 2.78Å; D91-K142 IonicContact OD1-NZ 3.77Å; D91-K142 PolarHBondContact OD1-NZ 3.26Å; D91-K142 IonicContact OD2-NZ 3.49Å; D91-K142 PolarHBondContact OD2-NZ 3.38Å
92L93.3Very high94.3Very high19 Ų1956.3 Ų56.310%0.09931%0.305CS..Hα-helixtrans-83-18.6179.4-60-178000115Y88 D89 W90 R464 A467 L469Y88-L92 HydrophobicContact CD1-CD1 3.99Å; Y88-L92 HydrophobicContact CE1-CD1 3.39Å; Y88-L92 HydrophobicContact CE1-CG 4.33Å; Y88-L92 HydrophobicContact CE2-CD1 4.37Å; Y88-L92 WeakPolarHBondContact O-CG 3.13Å; Y88-L92 PolarHBondContact O-N 3.08Å; D89-L92 PolarHBondContact O-N 2.93Å; W90-L92 PolarHBondContact O-N 2.88Å; L92-R464 PolarHBondContact O-NH1 2.88Å; L92-A467 HydrophobicContact CD1-CB 4.41Å; L92-A467 HydrophobicContact CD2-CB 3.63Å; L92-L469 HydrophobicContact CD1-CD1 3.78Å; L92-L469 HydrophobicContact CD2-CD1 4.26Å; L92-L469 HydrophobicContact CG-CD1 4.44Å
93A93.1Very high94.4Very high16 Ų1657.1 Ų57.113%0.13231%0.309CS..  trans-68.9159.8-179.700000112.1D89 W90 T97 K98D89-A93 WeakPolarHBondContact O-CB 3.43Å; D89-A93 PolarHBondContact O-N 3.18Å; W90-A93 PolarHBondContact O-N 3.14Å; A93-T97 HydrophobicContact CB-CG2 4.28Å; A93-K98 HydrophobicContact CB-CB 3.89Å; A93-K98 HydrophobicContact CB-CG 4.32Å; A93-K98 WeakPolarHBondContact O-CD 3.38Å
94E91.3Very high94.4Very high101 Ų10161.9 Ų61.947%0.47233%0.331SS..  trans-133.7156.1179.8-63.8-174114.500111.9A96 T97 K98 N461 R464E94-A96 PolarHBondContact O-N 2.85Å; E94-T97 PolarHBondContact O-N 3.05Å; E94-K98 PolarHBondContact O-N 3.18Å; E94-N461 PolarHBondContact OE1-ND2 2.94Å; E94-R464 VanDerWaalsContact CD-CD 3.47Å; E94-R464 IonicContact OE2-CZ 2.61Å; E94-R464 IonicContact OE2-NE 3.79Å
95G91.6Very high94.6Very high64 Ų6459.9 Ų59.966%0.6632%0.321SS*.Hα-helixtrans52.8-133.1174.300000113.9T97 K98 E99G95-T97 PolarHBondContact O-N 3.31Å; G95-K98 PolarHBondContact O-N 3.01Å; G95-E99 PolarHBondContact O-N 3.48Å
96A94.6Very high94.7Very high86 Ų8658.2 Ų58.271%0.71131%0.312SS*.Hα-helixtrans-63-29-177.800000113.5E94 E99 K100E94-A96 PolarHBondContact O-N 2.85Å; A96-E99 PolarHBondContact O-N 3.06Å; A96-K100 WeakPolarHBondContact O-CB 3.23Å; A96-K100 PolarHBondContact O-N 3.41Å
97T94.9Very high94.7Very high97 Ų9763 Ų6360%0.59533%0.332SS*.Hα-helixtrans-68.1-41.3177.4-53.50000110.9A93 E94 G95 E99 K100 A101A93-T97 HydrophobicContact CB-CG2 4.28Å; E94-T97 PolarHBondContact O-N 3.05Å; G95-T97 PolarHBondContact O-N 3.31Å; T97-E99 VanDerWaalsContact C-N 3.34Å; T97-E99 PolarHBondContact O-N 3.06Å; T97-K100 PolarHBondContact O-N 3.5Å; T97-A101 WeakPolarHBondContact O-CB 3.28Å; T97-A101 PolarHBondContact O-N 3.36Å
98K94.4Very high94.7Very high51 Ų5165.2 Ų65.222%0.22234%0.341CS..Hα-helixtrans-62.3-42.7175.8-168.7169.5-165.1143.50111.5W90 D91 A93 E94 G95 A101 R102W90-K98 VanDerWaalsContact CD1-O 3.24Å; W90-K98 PolarHBondContact NE1-O 2.84Å; W90-K98 WeakPolarHBondContact O-CE 3.35Å; D91-K98 PolarHBondContact O-NZ 2.78Å; A93-K98 HydrophobicContact CB-CB 3.89Å; A93-K98 HydrophobicContact CB-CG 4.32Å; A93-K98 WeakPolarHBondContact O-CD 3.38Å; E94-K98 PolarHBondContact O-N 3.18Å; G95-K98 PolarHBondContact O-N 3.01Å; K98-A101 PolarHBondContact O-N 3.23Å; K98-R102 PolarHBondContact O-N 2.84Å
99E94.7Very high94.9Very high78 Ų7859.1 Ų59.136%0.36432%0.317SS..Hα-helixtrans-62.5-46.6176.8-177.153.6-138.700111.8G95 A96 T97 R102 Q103G95-E99 PolarHBondContact O-N 3.48Å; A96-E99 PolarHBondContact O-N 3.06Å; T97-E99 VanDerWaalsContact C-N 3.34Å; T97-E99 PolarHBondContact O-N 3.06Å; E99-R102 WeakPolarHBondContact O-CB 3.49Å; E99-R102 PolarHBondContact O-N 2.85Å; E99-R102 IonicContact OE1-CZ 3.07Å; E99-R102 IonicContact OE1-NE 3.34Å; E99-R102 PolarHBondContact OE1-NE 3.41Å; E99-R102 IonicContact OE1-NH2 2.98Å; E99-R102 PolarHBondContact OE1-NH2 2.9Å; E99-R102 IonicContact OE2-CZ 2.78Å; E99-R102 IonicContact OE2-NE 2.73Å; E99-R102 PolarHBondContact OE2-NE 3.32Å; E99-R102 IonicContact OE2-NH1 3.31Å; E99-R102 IonicContact OE2-NH2 3.93Å; E99-R102 PolarHBondContact OE2-NH2 3.24Å; E99-Q103 WeakPolarHBondContact O-CG 3.42Å; E99-Q103 PolarHBondContact O-N 2.91Å; E99-Q103 PolarHBondContact OE1-NE2 3.06Å
100K96Very high94.8Very high129 Ų12954.7 Ų54.756%0.56129%0.294SS*.Hα-helixtrans-61.2-48177.9-177-178.5168.4-172.10111.8A96 T97 R102 Q103 E104A96-K100 WeakPolarHBondContact O-CB 3.23Å; A96-K100 PolarHBondContact O-N 3.41Å; T97-K100 PolarHBondContact O-N 3.5Å; K100-R102 VanDerWaalsContact C-N 3.29Å; K100-R102 PolarHBondContact O-N 3.32Å; K100-Q103 PolarHBondContact O-N 3.13Å; K100-E104 WeakPolarHBondContact CE-OE1 3.37Å; K100-E104 HydrophobicContact CG-CG 4.49Å; K100-E104 IonicContact NZ-OE1 3.37Å; K100-E104 WeakPolarHBondContact O-CG 3.44Å; K100-E104 PolarHBondContact O-N 3.31Å
101A96.3Very high94.6Very high20 Ų2059.2 Ų59.217%0.16531%0.314CS..Hα-helixtrans-59.6-39.7178.400000111.8W90 T97 K98 Q103 E104 I105W90-A101 HydrophobicContact CB-CB 4.17Å; W90-A101 HydrophobicContact CG-CB 4.48Å; T97-A101 WeakPolarHBondContact O-CB 3.28Å; T97-A101 PolarHBondContact O-N 3.36Å; K98-A101 PolarHBondContact O-N 3.23Å; A101-Q103 PolarHBondContact O-N 3Å; A101-E104 PolarHBondContact O-N 2.93Å; A101-I105 WeakPolarHBondContact O-CB 3.21Å; A101-I105 VanDerWaalsContact O-CG1 3.27Å; A101-I105 WeakPolarHBondContact O-CG1 3.27Å; A101-I105 PolarHBondContact O-N 2.74Å
102R96.6Very high94.2Very high48 Ų4861.9 Ų61.918%0.18134%0.339CS..Hα-helixtrans-56.3-51.7174-179174.968.8172.25.7111.8K98 E99 K100 E104 I105 M106 D134 F137K98-R102 PolarHBondContact O-N 2.84Å; E99-R102 WeakPolarHBondContact O-CB 3.49Å; E99-R102 PolarHBondContact O-N 2.85Å; E99-R102 IonicContact OE1-CZ 3.07Å; E99-R102 IonicContact OE1-NE 3.34Å; E99-R102 PolarHBondContact OE1-NE 3.41Å; E99-R102 IonicContact OE1-NH2 2.98Å; E99-R102 PolarHBondContact OE1-NH2 2.9Å; E99-R102 IonicContact OE2-CZ 2.78Å; E99-R102 IonicContact OE2-NE 2.73Å; E99-R102 PolarHBondContact OE2-NE 3.32Å; E99-R102 IonicContact OE2-NH1 3.31Å; E99-R102 IonicContact OE2-NH2 3.93Å; E99-R102 PolarHBondContact OE2-NH2 3.24Å; K100-R102 VanDerWaalsContact C-N 3.29Å; K100-R102 PolarHBondContact O-N 3.32Å; R102-E104 VanDerWaalsContact C-N 3.31Å; R102-E104 PolarHBondContact O-N 3.5Å; R102-I105 PolarHBondContact O-N 3Å; R102-M106 HydrophobicContact CG-SD 4.3Å; R102-M106 WeakPolarHBondContact O-CG 3.27Å; R102-M106 PolarHBondContact O-N 2.89Å; R102-D134 IonicContact CZ-OD1 2.65Å; R102-D134 IonicContact NE-OD1 3.45Å; R102-D134 PolarHBondContact NH1-O 3.31Å; R102-D134 IonicContact NH2-OD1 3.54Å; R102-F137 HydrophobicContact CB-CE1 4.46Å; R102-F137 HydrophobicContact CB-CZ 4.49Å; R102-F137 HydrophobicContact CG-CB 4.23Å; R102-F137 HydrophobicContact CG-CD1 3.75Å; R102-F137 HydrophobicContact CG-CD2 3.7Å; R102-F137 HydrophobicContact CG-CE1 3.97Å; R102-F137 HydrophobicContact CG-CE2 3.89Å; R102-F137 HydrophobicContact CG-CG 3.61Å; R102-F137 HydrophobicContact CG-CZ 4.01Å
103Q95.9Very high94.1Very high76 Ų7668 Ų6836%0.35537%0.372SS..Hα-helixtrans-62.7-39.6-179.6-63.9-57.5-30.800111.7E99 K100 A101 K107 D134E99-Q103 WeakPolarHBondContact O-CG 3.42Å; E99-Q103 PolarHBondContact O-N 2.91Å; E99-Q103 PolarHBondContact OE1-NE2 3.06Å; K100-Q103 PolarHBondContact O-N 3.13Å; A101-Q103 PolarHBondContact O-N 3Å; Q103-K107 VanDerWaalsContact O-CB 3.28Å; Q103-K107 WeakPolarHBondContact O-CB 3.45Å; Q103-K107 PolarHBondContact O-N 2.96Å; Q103-D134 PolarHBondContact NE2-OD1 3.37Å
104E96.1Very high94Very high99 Ų9968.7 Ų68.746%0.46338%0.376SS..Hα-helixtrans-64.2-46.9177-73.8177.1160.700111.7K100 A101 R102 M106 K107 K108K100-E104 WeakPolarHBondContact CE-OE1 3.37Å; K100-E104 HydrophobicContact CG-CG 4.49Å; K100-E104 IonicContact NZ-OE1 3.37Å; K100-E104 WeakPolarHBondContact O-CG 3.44Å; K100-E104 PolarHBondContact O-N 3.31Å; A101-E104 PolarHBondContact O-N 2.93Å; R102-E104 VanDerWaalsContact C-N 3.31Å; R102-E104 PolarHBondContact O-N 3.5Å; E104-M106 PolarHBondContact O-N 3.17Å; E104-K107 PolarHBondContact O-N 3.43Å; E104-K108 WeakPolarHBondContact O-CB 3.27Å; E104-K108 PolarHBondContact O-N 2.93Å
105I96.9Very high94Very high2 Ų274 Ų741%0.0140%0.397CS..Hα-helixtrans-59.9-49176.4-69.4167.1000110.5F83 E86 W90 A101 R102 K107 K108 Y109 F137 M141F83-I105 HydrophobicContact CE2-CG2 4.28Å; E86-I105 HydrophobicContact CB-CD1 4.33Å; E86-I105 HydrophobicContact CB-CG1 4.15Å; E86-I105 WeakPolarHBondContact O-CD1 3.21Å; W90-I105 HydrophobicContact CB-CD1 3.65Å; W90-I105 HydrophobicContact CG-CD1 4.11Å; A101-I105 WeakPolarHBondContact O-CB 3.21Å; A101-I105 VanDerWaalsContact O-CG1 3.27Å; A101-I105 WeakPolarHBondContact O-CG1 3.27Å; A101-I105 PolarHBondContact O-N 2.74Å; R102-I105 PolarHBondContact O-N 3Å; I105-K107 VanDerWaalsContact C-N 3.32Å; I105-K107 PolarHBondContact O-N 3.34Å; I105-K108 PolarHBondContact O-N 3.13Å; I105-Y109 HydrophobicContact CB-CD2 4.35Å; I105-Y109 HydrophobicContact CG2-CD2 3.89Å; I105-Y109 WeakPolarHBondContact O-CD2 3.43Å; I105-Y109 PolarHBondContact O-N 3.41Å; I105-F137 HydrophobicContact CB-CE2 4.26Å; I105-F137 HydrophobicContact CB-CZ 4.08Å; I105-F137 HydrophobicContact CD1-CZ 4.18Å; I105-F137 HydrophobicContact CG2-CE2 3.92Å; I105-F137 HydrophobicContact CG2-CZ 3.81Å; I105-M141 HydrophobicContact CG2-CE 3.58Å
106M95.8Very high94Very high15 Ų1572.5 Ų72.57%0.07438%0.376CS..Iπ-helixtrans-59.6-43.9178.8-73.9-178.256.700111.7R102 E104 C110 V132 F137R102-M106 HydrophobicContact CG-SD 4.3Å; R102-M106 WeakPolarHBondContact O-CG 3.27Å; R102-M106 PolarHBondContact O-N 2.89Å; E104-M106 PolarHBondContact O-N 3.17Å; M106-C110 WeakPolarHBondContact O-CB 3.24Å; M106-C110 PolarHBondContact O-N 3.06Å; M106-C110 VanDerWaalsContact O-N 3.17Å; M106-V132 HydrophobicContact CE-CG1 4.11Å; M106-V132 WeakPolarHBondContact CE-O 3.38Å; M106-V132 HydrophobicContact CG-CG1 4.16Å; M106-F137 HydrophobicContact CG-CD2 3.45Å; M106-F137 VanDerWaalsContact CG-CD2 3.45Å; M106-F137 HydrophobicContact CG-CE2 3.5Å; M106-F137 VanDerWaalsContact CG-CE2 3.5Å; M106-F137 HydrophobicContact SD-CD2 3.64Å; M106-F137 HydrophobicContact SD-CE2 4.27Å
107K95.3Very high93.9Very high158 Ų15869.5 Ų69.569%0.68735%0.347SS*.Iπ-helixtrans-65.7-42.2178.1-176.9-179.1176.4-176.40111.8Q103 E104 I105Q103-K107 VanDerWaalsContact O-CB 3.28Å; Q103-K107 WeakPolarHBondContact O-CB 3.45Å; Q103-K107 PolarHBondContact O-N 2.96Å; E104-K107 PolarHBondContact O-N 3.43Å; I105-K107 VanDerWaalsContact C-N 3.32Å; I105-K107 PolarHBondContact O-N 3.34Å
108K95.9Very high93.7Very high52 Ų5264.9 Ų64.923%0.22632%0.319CS..Iπ-helixtrans-74.1-44.8-174.1-173.6175.1174.4-168.50112E82 E86 E104 I105 S114 S116E82-K108 IonicContact OE2-NZ 3.91Å; E82-K108 PolarHBondContact OE2-NZ 3.31Å; E82-K108 VanDerWaalsContact OE2-NZ 3.12Å; E86-K108 IonicContact OE1-NZ 3.76Å; E86-K108 PolarHBondContact OE1-NZ 2.98Å; E86-K108 IonicContact OE2-NZ 3.58Å; E104-K108 WeakPolarHBondContact O-CB 3.27Å; E104-K108 PolarHBondContact O-N 2.93Å; I105-K108 PolarHBondContact O-N 3.13Å; K108-S114 VanDerWaalsContact O-CB 3.28Å; K108-S114 WeakPolarHBondContact O-CB 3.27Å; K108-S114 PolarHBondContact O-OG 2.95Å; K108-S116 CarbonylContact O-C 3.51Å; K108-S116 VanDerWaalsContact O-C 3.27Å; K108-S116 VanDerWaalsContact O-CB 3.32Å; K108-S116 WeakPolarHBondContact O-CB 3.38Å
109Y96.1Very high93.5Very high0 Ų067.9 Ų67.90%034%0.342CS..Iπ-helixtrans-108.8-22.8-166.9-61.5-70.7000115.2L79 F83 E86 I105 S116 F117 L118L79-Y109 HydrophobicContact CD1-CD1 4.2Å; L79-Y109 HydrophobicContact CD1-CE1 3.68Å; L79-Y109 HydrophobicContact CG-CE1 4.41Å; F83-Y109 HydrophobicContact CB-CD1 4.18Å; F83-Y109 HydrophobicContact CB-CE1 3.81Å; F83-Y109 HydrophobicContact CB-CE2 4.46Å; F83-Y109 HydrophobicContact CD2-CD1 4.15Å; F83-Y109 AromaticContact CD2-CD2 3.76Å; F83-Y109 HydrophobicContact CD2-CD2 3.76Å; F83-Y109 HydrophobicContact CD2-CE1 4.4Å; F83-Y109 HydrophobicContact CD2-CE2 4.04Å; F83-Y109 AromaticContact CD2-CG 3.8Å; F83-Y109 HydrophobicContact CD2-CG 3.8Å; F83-Y109 HydrophobicContact CE2-CD2 4.46Å; F83-Y109 PolarHBondContact N-OH 2.82Å; E86-Y109 HydrophobicContact CB-CE2 4.44Å; E86-Y109 VanDerWaalsContact CD-OH 3.23Å; E86-Y109 PolarHBondContact OE1-OH 2.67Å; E86-Y109 VanDerWaalsContact OE1-OH 3.11Å; E86-Y109 VanDerWaalsContact OE2-CE2 3.26Å; E86-Y109 WeakPolarHBondContact OE2-CE2 3.42Å; E86-Y109 PolarHBondContact OE2-OH 3.44Å; I105-Y109 HydrophobicContact CB-CD2 4.35Å; I105-Y109 HydrophobicContact CG2-CD2 3.89Å; I105-Y109 WeakPolarHBondContact O-CD2 3.43Å; I105-Y109 PolarHBondContact O-N 3.41Å; Y109-S116 WeakPolarHBondContact CD1-O 3.24Å; Y109-F117 WeakPolarHBondContact O-CD2 3.35Å; Y109-L118 HydrophobicContact CD1-CD2 3.62Å; Y109-L118 HydrophobicContact CD1-CG 4.06Å; Y109-L118 HydrophobicContact CE1-CD2 4.28Å; Y109-L118 HydrophobicContact CG-CD2 4.43Å; Y109-L118 HydrophobicContact CG-CG 4.46Å; Y109-L118 PolarHBondContact O-N 3.36Å
110C93.1Very high93.4Very high6 Ų666 Ų664%0.04133%0.332CS..Iπ-helixtrans-104.1-14.2-170.6-55.10000114.1M106 C129 V132M106-C110 WeakPolarHBondContact O-CB 3.24Å; M106-C110 PolarHBondContact O-N 3.06Å; M106-C110 VanDerWaalsContact O-N 3.17Å; C110-C129 WeakPolarHBondContact CB-O 3.36Å; C110-V132 HydrophobicContact CB-CG1 3.84Å
111K91.4Very high93.3Very high103 Ų10360.4 Ų60.445%0.44831%0.309SS..  trans-90125.7-180-59.7-60.2-178-171.90111.2D113 S114 F117K111-D113 VanDerWaalsContact CB-OD1 3.31Å; K111-D113 WeakPolarHBondContact CB-OD1 3.33Å; K111-D113 PolarHBondContact O-N 3.08Å; K111-S114 WeakPolarHBondContact O-CB 3.45Å; K111-S114 PolarHBondContact O-N 3.11Å; K111-F117 WeakPolarHBondContact O-CD2 3.11Å
112A85.9Confident93.1Very high79 Ų7965 Ų6565%0.65334%0.335SS*.THydrogen-bonded Turntrans-65.4-22.3-173.500000114.3S114A112-S114 VanDerWaalsContact C-N 3.34Å
113D89.9Confident93Very high148 Ų14865 Ų6579%0.79135%0.35SS*.THydrogen-bonded Turntrans-84.8-7.1174.161.4-34000113.1K111K111-D113 VanDerWaalsContact CB-OD1 3.31Å; K111-D113 WeakPolarHBondContact CB-OD1 3.33Å; K111-D113 PolarHBondContact O-N 3.08Å
114S92Very high92.9Very high30 Ų3067 Ų6721%0.2136%0.36CS..  trans-72.6135.7174.1-178.20000111.3K108 K111 A112 S116 F117K108-S114 VanDerWaalsContact O-CB 3.28Å; K108-S114 WeakPolarHBondContact O-CB 3.27Å; K108-S114 PolarHBondContact O-OG 2.95Å; K111-S114 WeakPolarHBondContact O-CB 3.45Å; K111-S114 PolarHBondContact O-N 3.11Å; A112-S114 VanDerWaalsContact C-N 3.34Å; S114-S116 PolarHBondContact O-N 3.21Å; S114-S116 PolarHBondContact OG-N 3.32Å; S114-S116 VanDerWaalsContact OG-N 3.12Å; S114-F117 VanDerWaalsContact O-CB 3.28Å; S114-F117 WeakPolarHBondContact O-CB 3.45Å; S114-F117 PolarHBondContact O-N 2.94Å; S114-F117 VanDerWaalsContact O-N 3.12Å
115K90.4Very high92.9Very high214 Ų21463.8 Ų63.893%0.9335%0.347SS*.THydrogen-bonded Turntrans-63.7-20.8170.5-64.5-176.7178.9-179.40113
116S92.6Very high92.8Very high31 Ų3164.2 Ų64.222%0.21735%0.351CS..THydrogen-bonded Turntrans-101.513.7179.1-66.80000112.2K108 Y109 S114 L118K108-S116 CarbonylContact O-C 3.51Å; K108-S116 VanDerWaalsContact O-C 3.27Å; K108-S116 VanDerWaalsContact O-CB 3.32Å; K108-S116 WeakPolarHBondContact O-CB 3.38Å; Y109-S116 WeakPolarHBondContact CD1-O 3.24Å; S114-S116 PolarHBondContact O-N 3.21Å; S114-S116 PolarHBondContact OG-N 3.32Å; S114-S116 VanDerWaalsContact OG-N 3.12Å; S116-L118 PolarHBondContact O-N 3.46Å
117F91.6Very high92.7Very high23 Ų2369.9 Ų69.910%0.10138%0.377CS..  trans-57.4135.2172.3-175.5-105.8000110Y109 K111 S114 T119 K130Y109-F117 WeakPolarHBondContact O-CD2 3.35Å; K111-F117 WeakPolarHBondContact O-CD2 3.11Å; S114-F117 VanDerWaalsContact O-CB 3.28Å; S114-F117 WeakPolarHBondContact O-CB 3.45Å; S114-F117 PolarHBondContact O-N 2.94Å; S114-F117 VanDerWaalsContact O-N 3.12Å; F117-T119 HydrophobicContact CD1-CG2 3.8Å; F117-T119 PolarHBondContact O-N 3.37Å; F117-K130 HydrophobicContact CE2-CG 3.87Å; F117-K130 HydrophobicContact CZ-CD 4.17Å; F117-K130 HydrophobicContact CZ-CG 3.68Å
118L90.8Very high92.7Very high1 Ų166.2 Ų66.21%0.00536%0.361CS..  trans-74.668.8-176.4-58.5177.4000111.2L79 F83 Y109 S116 F120 L121 V145 V149L79-L118 HydrophobicContact CD2-CD2 4.13Å; L79-L118 HydrophobicContact CG-CD2 4Å; F83-L118 HydrophobicContact CB-CD2 4.24Å; F83-L118 HydrophobicContact CD1-CD1 4.39Å; F83-L118 HydrophobicContact CD2-CD1 4.06Å; F83-L118 HydrophobicContact CE2-CD1 4.3Å; F83-L118 HydrophobicContact CG-CD1 4.1Å; F83-L118 HydrophobicContact CG-CD2 4.45Å; Y109-L118 HydrophobicContact CD1-CD2 3.62Å; Y109-L118 HydrophobicContact CD1-CG 4.06Å; Y109-L118 HydrophobicContact CE1-CD2 4.28Å; Y109-L118 HydrophobicContact CG-CD2 4.43Å; Y109-L118 HydrophobicContact CG-CG 4.46Å; Y109-L118 PolarHBondContact O-N 3.36Å; S116-L118 PolarHBondContact O-N 3.46Å; L118-F120 HydrophobicContact CB-CE1 4.32Å; L118-F120 HydrophobicContact CB-CZ 4.26Å; L118-F120 HydrophobicContact CD2-CE1 3.74Å; L118-F120 HydrophobicContact CD2-CZ 3.69Å; L118-F120 HydrophobicContact CG-CZ 4.45Å; L118-F120 PolarHBondContact O-N 3.44Å; L118-L121 HydrophobicContact CB-CD1 3.72Å; L118-L121 HydrophobicContact CB-CG 3.92Å; L118-L121 HydrophobicContact CD1-CD1 3.75Å; L118-L121 HydrophobicContact CG-CD1 4.4Å; L118-L121 WeakPolarHBondContact O-CB 3.45Å; L118-L121 PolarHBondContact O-N 3.01Å; L118-L121 VanDerWaalsContact O-N 3.07Å; L118-V145 HydrophobicContact CD1-CG1 4.01Å; L118-V149 HydrophobicContact CD1-CG2 4.21Å
119T91.1Very high92.6Very high113 Ų11363.8 Ų63.869%0.69335%0.351SS*.THydrogen-bonded Turntrans-63.3-21.1-175.351.30000113.9F117 L121F117-T119 HydrophobicContact CD1-CG2 3.8Å; F117-T119 PolarHBondContact O-N 3.37Å; T119-L121 VanDerWaalsContact C-N 3.29Å
120F92.4Very high92.5Very high39 Ų3969.7 Ų69.717%0.17138%0.376CS..THydrogen-bonded Turntrans-77.1-14.3176.960.4-102000113.1L79 A80 L118 V149 F152L79-F120 HydrophobicContact CD2-CE1 4.3Å; L79-F120 HydrophobicContact CG-CE1 4.45Å; A80-F120 HydrophobicContact CB-CE1 4.03Å; A80-F120 HydrophobicContact CB-CE2 4.28Å; A80-F120 HydrophobicContact CB-CZ 3.6Å; L118-F120 HydrophobicContact CB-CE1 4.32Å; L118-F120 HydrophobicContact CB-CZ 4.26Å; L118-F120 HydrophobicContact CD2-CE1 3.74Å; L118-F120 HydrophobicContact CD2-CZ 3.69Å; L118-F120 HydrophobicContact CG-CZ 4.45Å; L118-F120 PolarHBondContact O-N 3.44Å; F120-V149 HydrophobicContact CE2-CB 4.41Å; F120-V149 HydrophobicContact CE2-CG1 4.31Å; F120-V149 HydrophobicContact CE2-CG2 3.93Å; F120-V149 HydrophobicContact CZ-CG1 4.4Å; F120-V149 HydrophobicContact CZ-CG2 4.16Å; F120-F152 HydrophobicContact CB-CD2 3.92Å; F120-F152 HydrophobicContact CB-CE1 4.45Å; F120-F152 HydrophobicContact CB-CE2 3.75Å; F120-F152 HydrophobicContact CB-CG 4.34Å; F120-F152 HydrophobicContact CB-CZ 4.03Å; F120-F152 HydrophobicContact CD1-CE1 4.38Å; F120-F152 HydrophobicContact CD2-CB 3.83Å; F120-F152 AromaticContact CD2-CD1 3.49Å; F120-F152 HydrophobicContact CD2-CD1 3.49Å; F120-F152 VanDerWaalsContact CD2-CD1 3.49Å; F120-F152 AromaticContact CD2-CD2 3.9Å; F120-F152 HydrophobicContact CD2-CD2 3.9Å; F120-F152 AromaticContact CD2-CE1 3.98Å; F120-F152 HydrophobicContact CD2-CE1 3.98Å; F120-F152 HydrophobicContact CD2-CE2 4.34Å; F120-F152 AromaticContact CD2-CG 3.44Å; F120-F152 HydrophobicContact CD2-CG 3.44Å; F120-F152 VanDerWaalsContact CD2-CG 3.44Å; F120-F152 HydrophobicContact CD2-CZ 4.37Å; F120-F152 HydrophobicContact CE2-CB 4.17Å; F120-F152 AromaticContact CE2-CD1 3.68Å; F120-F152 HydrophobicContact CE2-CD1 3.68Å; F120-F152 HydrophobicContact CE2-CE1 4.28Å; F120-F152 AromaticContact CE2-CG 3.98Å; F120-F152 HydrophobicContact CE2-CG 3.98Å; F120-F152 HydrophobicContact CG-CD1 4.02Å; F120-F152 HydrophobicContact CG-CD2 4.18Å; F120-F152 HydrophobicContact CG-CE1 4.02Å; F120-F152 HydrophobicContact CG-CE2 4.18Å; F120-F152 HydrophobicContact CG-CG 4.09Å; F120-F152 HydrophobicContact CG-CZ 4.1Å; F120-F152 HydrophobicContact CZ-CD1 4.34Å
121L93.7Very high92.6Very high12 Ų1272.9 Ų72.96%0.06340%0.399CS..  trans-72.2140.9171.8-65.5-179.9000110.2L118 T119 P125 A126 C129 V145 V149L118-L121 HydrophobicContact CB-CD1 3.72Å; L118-L121 HydrophobicContact CB-CG 3.92Å; L118-L121 HydrophobicContact CD1-CD1 3.75Å; L118-L121 HydrophobicContact CG-CD1 4.4Å; L118-L121 WeakPolarHBondContact O-CB 3.45Å; L118-L121 PolarHBondContact O-N 3.01Å; L118-L121 VanDerWaalsContact O-N 3.07Å; T119-L121 VanDerWaalsContact C-N 3.29Å; L121-P125 HydrophobicContact CD2-CB 4.45Å; L121-A126 HydrophobicContact CB-CB 3.91Å; L121-C129 HydrophobicContact CD1-CB 4.45Å; L121-V145 HydrophobicContact CD1-CG1 3.94Å; L121-V149 HydrophobicContact CD1-CG2 4.41Å; L121-V149 HydrophobicContact CD2-CG2 3.93Å
122T92Very high92.8Very high115 Ų11568.5 Ų68.571%0.70638%0.381SS*.  trans-132.1161.717862.10000110.4P125T122-P125 WeakPolarHBondContact O-CD 3.29Å
123G94.1Very high93.2Very high49 Ų4967.9 Ų67.951%0.50537%0.369SS..Hα-helixtrans62.3-144.3177.700000114A126 E127G123-A126 WeakPolarHBondContact O-CB 3.21Å; G123-A126 PolarHBondContact O-N 3.39Å; G123-A126 VanDerWaalsContact O-N 3.17Å; G123-E127 PolarHBondContact O-N 3.1Å
124E94.4Very high93.4Very high119 Ų11964.3 Ų64.356%0.55635%0.35SS*.Hα-helixtrans-56.1-46.8-175176.4176.7-164.500114A126 E127 K128E124-A126 PolarHBondContact O-N 3.28Å; E124-E127 PolarHBondContact O-N 3.28Å; E124-E127 VanDerWaalsContact O-N 3.13Å; E124-K128 HydrophobicContact CG-CG 3.97Å; E124-K128 WeakPolarHBondContact O-CB 3.46Å; E124-K128 WeakPolarHBondContact O-CG 2.91Å; E124-K128 PolarHBondContact O-N 3.16Å
125P95.3Very high93.5Very high30 Ų3067.8 Ų67.820%0.19538%0.38CS..Hα-helixtrans-54.5-38.5176.6-29.936.1000113.9L121 T122 C129L121-P125 HydrophobicContact CD2-CB 4.45Å; T122-P125 WeakPolarHBondContact O-CD 3.29Å; P125-C129 WeakPolarHBondContact O-CB 3.42Å; P125-C129 PolarHBondContact O-N 2.68Å
126A94.6Very high93.7Very high11 Ų1160.1 Ų60.19%0.09135%0.35CS..Hα-helixtrans-70.5-39.7179.100000112.1L121 G123 E124 K130L121-A126 HydrophobicContact CB-CB 3.91Å; G123-A126 WeakPolarHBondContact O-CB 3.21Å; G123-A126 PolarHBondContact O-N 3.39Å; G123-A126 VanDerWaalsContact O-N 3.17Å; E124-A126 PolarHBondContact O-N 3.28Å; A126-K130 VanDerWaalsContact O-CG 3.32Å; A126-K130 WeakPolarHBondContact O-CG 3.48Å; A126-K130 PolarHBondContact O-N 2.77Å; A126-K130 VanDerWaalsContact O-N 3.11Å
127E94.6Very high93.9Very high134 Ų13458.7 Ų58.763%0.62634%0.339SS*.Hα-helixtrans-67.6-43177.1-67.9179177.600111.9G123 E124 K130 S131G123-E127 PolarHBondContact O-N 3.1Å; E124-E127 PolarHBondContact O-N 3.28Å; E124-E127 VanDerWaalsContact O-N 3.13Å; E127-K130 PolarHBondContact O-N 2.9Å; E127-S131 WeakPolarHBondContact O-CB 3.43Å; E127-S131 PolarHBondContact O-N 3.1Å; E127-S131 VanDerWaalsContact O-N 3.09Å; E127-S131 PolarHBondContact O-OG 2.99Å
128K95.1Very high94Very high81 Ų8162.8 Ų62.835%0.35236%0.359SS..Hα-helixtrans-64.3-43.6175.4-67.4-68.8-178173.10111.6E124 K130 S131 V132 V140 Q144E124-K128 HydrophobicContact CG-CG 3.97Å; E124-K128 WeakPolarHBondContact O-CB 3.46Å; E124-K128 WeakPolarHBondContact O-CG 2.91Å; E124-K128 PolarHBondContact O-N 3.16Å; K128-K130 VanDerWaalsContact C-N 3.32Å; K128-K130 PolarHBondContact O-N 3.34Å; K128-S131 CarbonylContact O-C 3.57Å; K128-S131 PolarHBondContact O-N 3.29Å; K128-S131 PolarHBondContact O-OG 3.45Å; K128-V132 PolarHBondContact O-N 2.83Å; K128-V140 HydrophobicContact CB-CG1 3.99Å; K128-Q144 HydrophobicContact CB-CB 4.39Å; K128-Q144 HydrophobicContact CG-CB 4.39Å; K128-Q144 HydrophobicContact CG-CG 4.45Å
129C94.4Very high94.2Very high1 Ų169 Ų691%0.00739%0.388CS..Hα-helixtrans-56.5-45.3174.4-173.60000111.5C110 L121 P125 S131 V132 V145C110-C129 WeakPolarHBondContact CB-O 3.36Å; L121-C129 HydrophobicContact CD1-CB 4.45Å; P125-C129 WeakPolarHBondContact O-CB 3.42Å; P125-C129 PolarHBondContact O-N 2.68Å; C129-S131 VanDerWaalsContact C-N 3.34Å; C129-S131 PolarHBondContact O-N 2.91Å; C129-V132 VanDerWaalsContact O-CG1 3.29Å; C129-V132 WeakPolarHBondContact O-CG1 3.36Å; C129-V145 HydrophobicContact CB-CG1 4.48Å; C129-V145 HydrophobicContact CB-CG2 3.8Å
130K93.9Very high94.4Very high124 Ų12463.9 Ų63.954%0.53936%0.357SS..Hα-helixtrans-66.8-31.5178.7-72.1171.7-174.3176.90114.1F117 A126 E127 K128F117-K130 HydrophobicContact CE2-CG 3.87Å; F117-K130 HydrophobicContact CZ-CD 4.17Å; F117-K130 HydrophobicContact CZ-CG 3.68Å; A126-K130 VanDerWaalsContact O-CG 3.32Å; A126-K130 WeakPolarHBondContact O-CG 3.48Å; A126-K130 PolarHBondContact O-N 2.77Å; A126-K130 VanDerWaalsContact O-N 3.11Å; E127-K130 PolarHBondContact O-N 2.9Å; K128-K130 VanDerWaalsContact C-N 3.32Å; K128-K130 PolarHBondContact O-N 3.34Å
131S94.3Very high94.5Very high74 Ų7462 Ų6252%0.51735%0.348SS..Hα-helixtrans-99.95.7-174.157.20000113.9E127 K128 C129E127-S131 WeakPolarHBondContact O-CB 3.43Å; E127-S131 PolarHBondContact O-N 3.1Å; E127-S131 VanDerWaalsContact O-N 3.09Å; E127-S131 PolarHBondContact O-OG 2.99Å; K128-S131 CarbonylContact O-C 3.57Å; K128-S131 PolarHBondContact O-N 3.29Å; K128-S131 PolarHBondContact O-OG 3.45Å; C129-S131 VanDerWaalsContact C-N 3.34Å; C129-S131 PolarHBondContact O-N 2.91Å
132V95.5Very high94.5Very high11 Ų1164.7 Ų64.77%0.06736%0.359CS..  trans-62.3142.8-179.674.20000111.8M106 C110 K128 C129 F137 V140 M141M106-V132 HydrophobicContact CE-CG1 4.11Å; M106-V132 WeakPolarHBondContact CE-O 3.38Å; M106-V132 HydrophobicContact CG-CG1 4.16Å; C110-V132 HydrophobicContact CB-CG1 3.84Å; K128-V132 PolarHBondContact O-N 2.83Å; C129-V132 VanDerWaalsContact O-CG1 3.29Å; C129-V132 WeakPolarHBondContact O-CG1 3.36Å; V132-F137 HydrophobicContact CG2-CB 4.37Å; V132-F137 HydrophobicContact CG2-CD2 4.22Å; V132-V140 HydrophobicContact CB-CG1 4.13Å; V132-V140 HydrophobicContact CG2-CB 3.92Å; V132-V140 HydrophobicContact CG2-CG1 3.88Å; V132-V140 HydrophobicContact CG2-CG2 4.42Å; V132-M141 HydrophobicContact CG2-CG 4.46Å; V132-M141 HydrophobicContact CG2-SD 4.46Å
133T95.2Very high94.6Very high66 Ų6661.9 Ų61.941%0.40534%0.342SS..  trans-128.6165.2179.767.70000109.7A135 N136 F137T133-A135 PolarHBondContact O-N 2.82Å; T133-N136 WeakPolarHBondContact CA-OD1 3.49Å; T133-N136 PolarHBondContact N-OD1 3.07Å; T133-N136 PolarHBondContact O-N 3.21Å; T133-N136 PolarHBondContact O-OD1 2.95Å; T133-N136 VanDerWaalsContact OG1-CG 3.31Å; T133-N136 PolarHBondContact OG1-OD1 3.43Å; T133-F137 WeakPolarHBondContact O-CB 3.45Å; T133-F137 PolarHBondContact O-N 3.31Å
134D93.4Very high94.6Very high72 Ų7261.6 Ų61.639%0.38533%0.328SS..THydrogen-bonded Turntrans-56.1-34.9175.9-67.2-29.8000113.1R102 Q103R102-D134 IonicContact CZ-OD1 2.65Å; R102-D134 IonicContact NE-OD1 3.45Å; R102-D134 PolarHBondContact NH1-O 3.31Å; R102-D134 IonicContact NH2-OD1 3.54Å; Q103-D134 PolarHBondContact NE2-OD1 3.37Å
135A94.2Very high94.7Very high103 Ų10356 Ų5685%0.85130%0.301SS*.THydrogen-bonded Turntrans-73.5-29.1-174.900000113.6T133T133-A135 PolarHBondContact O-N 2.82Å
136N95.3Very high94.7Very high54 Ų5457.8 Ų57.829%0.28931%0.307SS..THydrogen-bonded Turntrans-116.88.7-177.667.7-2.2000113.3T133 E138 E139 V140T133-N136 WeakPolarHBondContact CA-OD1 3.49Å; T133-N136 PolarHBondContact N-OD1 3.07Å; T133-N136 PolarHBondContact O-N 3.21Å; T133-N136 PolarHBondContact O-OD1 2.95Å; T133-N136 VanDerWaalsContact OG1-CG 3.31Å; T133-N136 PolarHBondContact OG1-OD1 3.43Å; N136-E138 PolarHBondContact O-N 2.75Å; N136-E139 PolarHBondContact O-N 3.09Å; N136-V140 HydrophobicContact CB-CG2 4.2Å; N136-V140 WeakPolarHBondContact O-CB 3.06Å; N136-V140 WeakPolarHBondContact O-CG2 3.43Å; N136-V140 PolarHBondContact O-N 3.15Å
137F95.9Very high94.7Very high1 Ų161.3 Ų61.30%0.00432%0.324CS..Hα-helixtrans-52.3-51.7-175.8178-88.6000112.7L87 W90 R102 I105 M106 V132 T133 E139 V140 M141L87-F137 HydrophobicContact CD1-CE1 4.5Å; W90-F137 AromaticContact CD2-CE1 3.67Å; W90-F137 HydrophobicContact CD2-CE1 3.67Å; W90-F137 HydrophobicContact CD2-CZ 4.49Å; W90-F137 AromaticContact CE2-CD1 3.88Å; W90-F137 AromaticContact CE2-CE1 3.43Å; W90-F137 VanDerWaalsContact CE2-CE1 3.43Å; W90-F137 AromaticContact CE3-CE1 3.95Å; W90-F137 HydrophobicContact CE3-CE1 3.95Å; W90-F137 HydrophobicContact CG-CE1 4.32Å; W90-F137 AromaticContact CH2-CD1 3.86Å; W90-F137 HydrophobicContact CH2-CD1 3.86Å; W90-F137 AromaticContact CH2-CE1 3.83Å; W90-F137 HydrophobicContact CH2-CE1 3.83Å; W90-F137 AromaticContact CZ2-CD1 3.54Å; W90-F137 HydrophobicContact CZ2-CD1 3.54Å; W90-F137 AromaticContact CZ2-CE1 3.53Å; W90-F137 HydrophobicContact CZ2-CE1 3.53Å; W90-F137 HydrophobicContact CZ3-CD1 4.45Å; W90-F137 HydrophobicContact CZ3-CE1 4.01Å; W90-F137 AromaticContact NE1-CE1 3.91Å; R102-F137 HydrophobicContact CB-CE1 4.46Å; R102-F137 HydrophobicContact CB-CZ 4.49Å; R102-F137 HydrophobicContact CG-CB 4.23Å; R102-F137 HydrophobicContact CG-CD1 3.75Å; R102-F137 HydrophobicContact CG-CD2 3.7Å; R102-F137 HydrophobicContact CG-CE1 3.97Å; R102-F137 HydrophobicContact CG-CE2 3.89Å; R102-F137 HydrophobicContact CG-CG 3.61Å; R102-F137 HydrophobicContact CG-CZ 4.01Å; I105-F137 HydrophobicContact CB-CE2 4.26Å; I105-F137 HydrophobicContact CB-CZ 4.08Å; I105-F137 HydrophobicContact CD1-CZ 4.18Å; I105-F137 HydrophobicContact CG2-CE2 3.92Å; I105-F137 HydrophobicContact CG2-CZ 3.81Å; M106-F137 HydrophobicContact CG-CD2 3.45Å; M106-F137 VanDerWaalsContact CG-CD2 3.45Å; M106-F137 HydrophobicContact CG-CE2 3.5Å; M106-F137 VanDerWaalsContact CG-CE2 3.5Å; M106-F137 HydrophobicContact SD-CD2 3.64Å; M106-F137 HydrophobicContact SD-CE2 4.27Å; V132-F137 HydrophobicContact CG2-CB 4.37Å; V132-F137 HydrophobicContact CG2-CD2 4.22Å; T133-F137 WeakPolarHBondContact O-CB 3.45Å; T133-F137 PolarHBondContact O-N 3.31Å; F137-E139 PolarHBondContact O-N 2.94Å; F137-V140 PolarHBondContact O-N 2.9Å; F137-M141 HydrophobicContact CD1-CG 4.22Å; F137-M141 HydrophobicContact CD2-CG 3.69Å; F137-M141 HydrophobicContact CE1-CB 4.32Å; F137-M141 HydrophobicContact CE1-CG 4.07Å; F137-M141 HydrophobicContact CE2-CE 4.18Å; F137-M141 HydrophobicContact CE2-CG 3.56Å; F137-M141 HydrophobicContact CE2-SD 4.39Å; F137-M141 HydrophobicContact CG-CG 4.04Å; F137-M141 HydrophobicContact CZ-CB 4.35Å; F137-M141 HydrophobicContact CZ-CE 4.44Å; F137-M141 HydrophobicContact CZ-CG 3.78Å; F137-M141 VanDerWaalsContact O-CB 3.22Å; F137-M141 WeakPolarHBondContact O-CB 3.43Å; F137-M141 WeakPolarHBondContact O-CG 3.42Å; F137-M141 PolarHBondContact O-N 3.21Å
138E94.3Very high94.8Very high109 Ų10955.4 Ų55.451%0.50930%0.3SS..Hα-helixtrans-60.8-49.4-176.2179.4166.3176.700112W90 N136 V140 K142W90-E138 HydrophobicContact CH2-CB 3.75Å; W90-E138 HydrophobicContact CH2-CG 3.82Å; W90-E138 HydrophobicContact CZ2-CB 4.45Å; N136-E138 PolarHBondContact O-N 2.75Å; E138-V140 PolarHBondContact O-N 3.46Å; E138-K142 HydrophobicContact CG-CD 3.87Å; E138-K142 HydrophobicContact CG-CG 4.44Å; E138-K142 VanDerWaalsContact O-CB 3.29Å; E138-K142 WeakPolarHBondContact O-CB 3.43Å; E138-K142 WeakPolarHBondContact O-CG 3.45Å; E138-K142 PolarHBondContact O-N 3.45Å
139E94Very high94.9Very high131 Ų13151.6 Ų51.661%0.61228%0.283SS*.Hα-helixtrans-59.7-49178.4-175.3-174.916600110.8N136 F137 T143N136-E139 PolarHBondContact O-N 3.09Å; F137-E139 PolarHBondContact O-N 2.94Å; E139-T143 WeakPolarHBondContact O-CB 3.46Å; E139-T143 PolarHBondContact O-N 2.84Å; E139-T143 PolarHBondContact O-OG1 2.75Å
140V95.7Very high94.9Very high6 Ų654.7 Ų54.74%0.03630%0.295CS..Iπ-helixtrans-67.1-45.4-175.7169.90000112.1K128 V132 N136 F137 E138 Q144 V145K128-V140 HydrophobicContact CB-CG1 3.99Å; V132-V140 HydrophobicContact CB-CG1 4.13Å; V132-V140 HydrophobicContact CG2-CB 3.92Å; V132-V140 HydrophobicContact CG2-CG1 3.88Å; V132-V140 HydrophobicContact CG2-CG2 4.42Å; N136-V140 HydrophobicContact CB-CG2 4.2Å; N136-V140 WeakPolarHBondContact O-CB 3.06Å; N136-V140 WeakPolarHBondContact O-CG2 3.43Å; N136-V140 PolarHBondContact O-N 3.15Å; F137-V140 PolarHBondContact O-N 2.9Å; E138-V140 PolarHBondContact O-N 3.46Å; V140-Q144 VanDerWaalsContact CA-OE1 3.28Å; V140-Q144 PolarHBondContact O-N 2.94Å; V140-V145 HydrophobicContact CG1-CG2 3.87Å; V140-V145 PolarHBondContact O-N 2.96Å
141M95.6Very high95Very high0 Ų054 Ų540%029%0.294CS..Iπ-helixtrans-75.9-40.9-173.2-61.1-59.3-81.100112F83 L87 I105 V132 F137 V145 Q146F83-M141 HydrophobicContact CE2-CE 3.33Å; F83-M141 HydrophobicContact CZ-CE 3.68Å; L87-M141 HydrophobicContact CD1-CB 3.79Å; I105-M141 HydrophobicContact CG2-CE 3.58Å; V132-M141 HydrophobicContact CG2-CG 4.46Å; V132-M141 HydrophobicContact CG2-SD 4.46Å; F137-M141 HydrophobicContact CD1-CG 4.22Å; F137-M141 HydrophobicContact CD2-CG 3.69Å; F137-M141 HydrophobicContact CE1-CB 4.32Å; F137-M141 HydrophobicContact CE1-CG 4.07Å; F137-M141 HydrophobicContact CE2-CE 4.18Å; F137-M141 HydrophobicContact CE2-CG 3.56Å; F137-M141 HydrophobicContact CE2-SD 4.39Å; F137-M141 HydrophobicContact CG-CG 4.04Å; F137-M141 HydrophobicContact CZ-CB 4.35Å; F137-M141 HydrophobicContact CZ-CE 4.44Å; F137-M141 HydrophobicContact CZ-CG 3.78Å; F137-M141 VanDerWaalsContact O-CB 3.22Å; F137-M141 WeakPolarHBondContact O-CB 3.43Å; F137-M141 WeakPolarHBondContact O-CG 3.42Å; F137-M141 PolarHBondContact O-N 3.21Å; M141-V145 HydrophobicContact CE-CG1 4.36Å; M141-V145 HydrophobicContact SD-CB 4.03Å; M141-V145 HydrophobicContact SD-CG1 4.25Å; M141-V145 HydrophobicContact SD-CG2 3.77Å; M141-Q146 WeakPolarHBondContact O-CB 3.43Å; M141-Q146 PolarHBondContact O-N 3.11Å
142K93.7Very high95.1Very high67 Ų6752.9 Ų52.929%0.29128%0.279SS..Iπ-helixtrans-81.4-10.4-178.4-61.4-17281.4166.50114.6W90 D91 E138 Q146W90-K142 HydrophobicContact CZ3-CD 4.05Å; W90-K142 HydrophobicContact CZ3-CG 4.15Å; D91-K142 IonicContact OD1-NZ 3.77Å; D91-K142 PolarHBondContact OD1-NZ 3.26Å; D91-K142 IonicContact OD2-NZ 3.49Å; D91-K142 PolarHBondContact OD2-NZ 3.38Å; E138-K142 HydrophobicContact CG-CD 3.87Å; E138-K142 HydrophobicContact CG-CG 4.44Å; E138-K142 VanDerWaalsContact O-CB 3.29Å; E138-K142 WeakPolarHBondContact O-CB 3.43Å; E138-K142 WeakPolarHBondContact O-CG 3.45Å; E138-K142 PolarHBondContact O-N 3.45Å; K142-Q146 PolarHBondContact O-OE1 3.3Å
143T92.9Very high95.1Very high56 Ų5652.6 Ų52.634%0.34428%0.277SS..Iπ-helixtrans-115.6-79.7177.167.90000109.8E139 V145 D147E139-T143 WeakPolarHBondContact O-CB 3.46Å; E139-T143 PolarHBondContact O-N 2.84Å; E139-T143 PolarHBondContact O-OG1 2.75Å; T143-V145 PolarHBondContact O-N 3.33Å; T143-D147 WeakPolarHBondContact O-CB 3.46Å; T143-D147 PolarHBondContact O-N 2.76Å
144Q94.9Very high95.2Very high44 Ų4452.3 Ų52.321%0.20627%0.271CS..Iπ-helixtrans-67.3-46.3-169.4-59.1103.235.100113.9K128 V140 G148K128-Q144 HydrophobicContact CB-CB 4.39Å; K128-Q144 HydrophobicContact CG-CB 4.39Å; K128-Q144 HydrophobicContact CG-CG 4.45Å; V140-Q144 VanDerWaalsContact CA-OE1 3.28Å; V140-Q144 PolarHBondContact O-N 2.94Å; Q144-G148 PolarHBondContact O-N 3.36Å
145V96.1Very high95.3Very high0 Ų050.4 Ų50.40%027%0.268CS..Iπ-helixtrans-73.3-47.4-176.5-177.30000110.9F83 L118 L121 C129 V140 M141 T143 D147 G148 V149F83-V145 HydrophobicContact CE1-CG1 4.02Å; F83-V145 HydrophobicContact CE2-CG1 4.34Å; F83-V145 HydrophobicContact CZ-CB 4.41Å; F83-V145 HydrophobicContact CZ-CG1 3.61Å; L118-V145 HydrophobicContact CD1-CG1 4.01Å; L121-V145 HydrophobicContact CD1-CG1 3.94Å; C129-V145 HydrophobicContact CB-CG1 4.48Å; C129-V145 HydrophobicContact CB-CG2 3.8Å; V140-V145 HydrophobicContact CG1-CG2 3.87Å; V140-V145 PolarHBondContact O-N 2.96Å; M141-V145 HydrophobicContact CE-CG1 4.36Å; M141-V145 HydrophobicContact SD-CB 4.03Å; M141-V145 HydrophobicContact SD-CG1 4.25Å; M141-V145 HydrophobicContact SD-CG2 3.77Å; T143-V145 PolarHBondContact O-N 3.33Å; V145-D147 VanDerWaalsContact C-N 3.34Å; V145-D147 PolarHBondContact O-N 3.17Å; V145-G148 PolarHBondContact O-N 3.16Å; V145-V149 WeakPolarHBondContact O-CG2 3.38Å; V145-V149 PolarHBondContact O-N 3.48Å
146Q95.6Very high95.4Very high69 Ų6951.1 Ų51.132%0.32225%0.252SS..Hα-helixtrans-59-43.4176.3-179.2171.67.700112L84 L87 M141 K142 V149 R150L84-Q146 HydrophobicContact CD2-CG 4.05Å; L87-Q146 HydrophobicContact CD2-CB 4.1Å; L87-Q146 HydrophobicContact CD2-CG 4.41Å; M141-Q146 WeakPolarHBondContact O-CB 3.43Å; M141-Q146 PolarHBondContact O-N 3.11Å; K142-Q146 PolarHBondContact O-OE1 3.3Å; Q146-V149 PolarHBondContact O-N 3.39Å; Q146-R150 WeakPolarHBondContact O-CB 3.49Å; Q146-R150 PolarHBondContact O-N 2.81Å
147D94.9Very high95.5Very high84 Ų8448.5 Ų48.545%0.44924%0.238SC..Hα-helixtrans-63.8-42.3175.6-73.1-23.6000111.4T143 V145 V149 R150 E151T143-D147 WeakPolarHBondContact O-CB 3.46Å; T143-D147 PolarHBondContact O-N 2.76Å; V145-D147 VanDerWaalsContact C-N 3.34Å; V145-D147 PolarHBondContact O-N 3.17Å; D147-V149 PolarHBondContact O-N 2.92Å; D147-R150 WeakPolarHBondContact O-CB 3.28Å; D147-R150 PolarHBondContact O-N 3.45Å; D147-E151 WeakPolarHBondContact O-CG 3.29Å; D147-E151 PolarHBondContact O-N 2.91Å
148G96.4Very high95.6Very high11 Ų1149 Ų4911%0.11324%0.24CC..Hα-helixtrans-60.1-41.8175.400000113.3Q144 V145 R150 E151 F152Q144-G148 PolarHBondContact O-N 3.36Å; V145-G148 PolarHBondContact O-N 3.16Å; G148-R150 VanDerWaalsContact C-N 3.35Å; G148-E151 PolarHBondContact O-N 3.16Å; G148-F152 PolarHBondContact O-N 3.03Å
149V96Very high95.7Very high0 Ų047.2 Ų47.20%024%0.237CC..Hα-helixtrans-66.1-40.9175.4175.30000110.6A80 F83 L84 L118 F120 L121 V145 Q146 D147 F152 L153A80-V149 HydrophobicContact CB-CG1 3.99Å; F83-V149 HydrophobicContact CD1-CB 4.3Å; F83-V149 HydrophobicContact CD1-CG1 4.25Å; F83-V149 HydrophobicContact CD1-CG2 3.66Å; F83-V149 HydrophobicContact CE1-CB 4.42Å; F83-V149 HydrophobicContact CE1-CG2 3.75Å; L84-V149 HydrophobicContact CD1-CG1 4.15Å; L84-V149 HydrophobicContact CD2-CG1 4.16Å; L84-V149 HydrophobicContact CG-CG1 4.04Å; L118-V149 HydrophobicContact CD1-CG2 4.21Å; F120-V149 HydrophobicContact CE2-CB 4.41Å; F120-V149 HydrophobicContact CE2-CG1 4.31Å; F120-V149 HydrophobicContact CE2-CG2 3.93Å; F120-V149 HydrophobicContact CZ-CG1 4.4Å; F120-V149 HydrophobicContact CZ-CG2 4.16Å; L121-V149 HydrophobicContact CD1-CG2 4.41Å; L121-V149 HydrophobicContact CD2-CG2 3.93Å; V145-V149 WeakPolarHBondContact O-CG2 3.38Å; V145-V149 PolarHBondContact O-N 3.48Å; Q146-V149 PolarHBondContact O-N 3.39Å; D147-V149 PolarHBondContact O-N 2.92Å; V149-F152 WeakPolarHBondContact O-CB 3.48Å; V149-F152 PolarHBondContact O-N 3.12Å; V149-L153 HydrophobicContact CG1-CD1 4.24Å; V149-L153 HydrophobicContact CG1-CG 4.49Å; V149-L153 WeakPolarHBondContact O-CG 3.14Å; V149-L153 PolarHBondContact O-N 2.65Å
150R95.5Very high95.9Very high67 Ų6743.1 Ų43.125%0.25322%0.219SC..Hα-helixtrans-63.4-42.2177.5-170.1179.8177.8-133.6-2.6112.1F53 T54 E58 Q146 D147 G148 L153 K154F53-R150 HydrophobicContact CE1-CG 4.18Å; T54-R150 PolarHBondContact OG1-NH2 3.18Å; E58-R150 WeakPolarHBondContact OE1-CD 3.48Å; E58-R150 WeakPolarHBondContact OE1-CG 3.46Å; E58-R150 IonicContact OE1-CZ 2.79Å; E58-R150 IonicContact OE1-NE 2.81Å; E58-R150 PolarHBondContact OE1-NE 3.35Å; E58-R150 IonicContact OE1-NH2 3.73Å; E58-R150 IonicContact OE2-CZ 2.72Å; E58-R150 VanDerWaalsContact OE2-CZ 3.31Å; E58-R150 IonicContact OE2-NE 2.84Å; E58-R150 PolarHBondContact OE2-NE 3.46Å; E58-R150 VanDerWaalsContact OE2-NE 3.07Å; E58-R150 IonicContact OE2-NH2 2.85Å; E58-R150 PolarHBondContact OE2-NH2 3.13Å; Q146-R150 WeakPolarHBondContact O-CB 3.49Å; Q146-R150 PolarHBondContact O-N 2.81Å; D147-R150 WeakPolarHBondContact O-CB 3.28Å; D147-R150 PolarHBondContact O-N 3.45Å; G148-R150 VanDerWaalsContact C-N 3.35Å; R150-L153 PolarHBondContact O-N 2.65Å; R150-K154 WeakPolarHBondContact O-CG 3.49Å; R150-K154 PolarHBondContact O-N 3.15Å
151E95.6Very high96Very high110 Ų11042.9 Ų42.951%0.51422%0.218SC..Hα-helixtrans-64.3-39174.5-71.3-53.4123.300112.2D147 G148 K154 G155D147-E151 WeakPolarHBondContact O-CG 3.29Å; D147-E151 PolarHBondContact O-N 2.91Å; G148-E151 PolarHBondContact O-N 3.16Å; E151-K154 PolarHBondContact O-N 3.09Å; E151-K154 WeakPolarHBondContact OE1-CD 3.39Å; E151-K154 IonicContact OE1-NZ 3.44Å; E151-K154 PolarHBondContact OE1-NZ 2.78Å; E151-G155 PolarHBondContact O-N 3.19Å
152F96.2Very high96.1Very high49 Ų4943.8 Ų43.822%0.21522%0.222CC..Hα-helixtrans-58.9-47.9171.1167.9-104.8000111.6F77 A80 F120 G148 V149 K154 G155 P157F77-F152 HydrophobicContact CD1-CE1 4.27Å; F77-F152 AromaticContact CD1-CZ 3.94Å; F77-F152 HydrophobicContact CD1-CZ 3.94Å; F77-F152 HydrophobicContact CE1-CZ 4.24Å; A80-F152 HydrophobicContact CB-CD1 4.22Å; A80-F152 HydrophobicContact CB-CE1 4.15Å; F120-F152 HydrophobicContact CB-CD2 3.92Å; F120-F152 HydrophobicContact CB-CE1 4.45Å; F120-F152 HydrophobicContact CB-CE2 3.75Å; F120-F152 HydrophobicContact CB-CG 4.34Å; F120-F152 HydrophobicContact CB-CZ 4.03Å; F120-F152 HydrophobicContact CD1-CE1 4.38Å; F120-F152 HydrophobicContact CD2-CB 3.83Å; F120-F152 AromaticContact CD2-CD1 3.49Å; F120-F152 HydrophobicContact CD2-CD1 3.49Å; F120-F152 VanDerWaalsContact CD2-CD1 3.49Å; F120-F152 AromaticContact CD2-CD2 3.9Å; F120-F152 HydrophobicContact CD2-CD2 3.9Å; F120-F152 AromaticContact CD2-CE1 3.98Å; F120-F152 HydrophobicContact CD2-CE1 3.98Å; F120-F152 HydrophobicContact CD2-CE2 4.34Å; F120-F152 AromaticContact CD2-CG 3.44Å; F120-F152 HydrophobicContact CD2-CG 3.44Å; F120-F152 VanDerWaalsContact CD2-CG 3.44Å; F120-F152 HydrophobicContact CD2-CZ 4.37Å; F120-F152 HydrophobicContact CE2-CB 4.17Å; F120-F152 AromaticContact CE2-CD1 3.68Å; F120-F152 HydrophobicContact CE2-CD1 3.68Å; F120-F152 HydrophobicContact CE2-CE1 4.28Å; F120-F152 AromaticContact CE2-CG 3.98Å; F120-F152 HydrophobicContact CE2-CG 3.98Å; F120-F152 HydrophobicContact CG-CD1 4.02Å; F120-F152 HydrophobicContact CG-CD2 4.18Å; F120-F152 HydrophobicContact CG-CE1 4.02Å; F120-F152 HydrophobicContact CG-CE2 4.18Å; F120-F152 HydrophobicContact CG-CG 4.09Å; F120-F152 HydrophobicContact CG-CZ 4.1Å; F120-F152 HydrophobicContact CZ-CD1 4.34Å; G148-F152 PolarHBondContact O-N 3.03Å; V149-F152 WeakPolarHBondContact O-CB 3.48Å; V149-F152 PolarHBondContact O-N 3.12Å; F152-K154 VanDerWaalsContact C-N 3.31Å; F152-K154 PolarHBondContact O-N 3.44Å; F152-G155 PolarHBondContact O-N 3.43Å; F152-G155 VanDerWaalsContact O-N 3.08Å; F152-P157 HydrophobicContact CD1-CG 4.18Å; F152-P157 HydrophobicContact CE1-CG 3.7Å; F152-P157 HydrophobicContact CE2-CG 4.28Å; F152-P157 HydrophobicContact CZ-CG 3.76Å; F152-P157 WeakPolarHBondContact O-CD 3.3Å
153L96.7Very high96.2Very high5 Ų546.6 Ų46.63%0.02624%0.24CC..Hα-helixtrans-62.7-34.8-179.8-70174.3000113.1F53 F67 L71 A80 L84 V149 R150 G155 P157 F158F53-L153 HydrophobicContact CE2-CB 4.04Å; F53-L153 HydrophobicContact CZ-CB 3.73Å; F67-L153 HydrophobicContact CE1-CD2 4.44Å; F67-L153 HydrophobicContact CZ-CB 4.47Å; F67-L153 HydrophobicContact CZ-CD2 4.3Å; L71-L153 HydrophobicContact CD1-CD2 4.01Å; L71-L153 HydrophobicContact CD2-CD2 3.8Å; A80-L153 HydrophobicContact CB-CD2 3.99Å; A80-L153 HydrophobicContact CB-CG 4.47Å; L84-L153 HydrophobicContact CD1-CD1 3.63Å; V149-L153 HydrophobicContact CG1-CD1 4.24Å; V149-L153 HydrophobicContact CG1-CG 4.49Å; V149-L153 WeakPolarHBondContact O-CG 3.14Å; V149-L153 PolarHBondContact O-N 2.65Å; R150-L153 PolarHBondContact O-N 2.65Å; L153-G155 PolarHBondContact O-N 2.99Å; L153-P157 HydrophobicContact CD2-CB 4.19Å; L153-P157 HydrophobicContact CD2-CG 4.3Å; L153-F158 VanDerWaalsContact O-CB 3.24Å; L153-F158 WeakPolarHBondContact O-CB 3.31Å; L153-F158 PolarHBondContact O-N 3Å; L153-F158 VanDerWaalsContact O-N 3.1Å
154K96.5Very high96.4Very high60 Ų6044.4 Ų44.426%0.26123%0.228SC..Hα-helixtrans-63.6-24.8174.2-75.7173.5-176.4173.20113.8F53 R150 E151 F152F53-K154 HydrophobicContact CB-CG 3.86Å; F53-K154 HydrophobicContact CD1-CB 4.47Å; F53-K154 HydrophobicContact CD1-CD 4.18Å; F53-K154 HydrophobicContact CD1-CG 3.27Å; F53-K154 HydrophobicContact CD2-CG 4.27Å; F53-K154 HydrophobicContact CE1-CG 3.81Å; F53-K154 HydrophobicContact CG-CB 4.35Å; F53-K154 HydrophobicContact CG-CG 3.53Å; F53-K154 HydrophobicContact CZ-CG 4.49Å; R150-K154 WeakPolarHBondContact O-CG 3.49Å; R150-K154 PolarHBondContact O-N 3.15Å; E151-K154 PolarHBondContact O-N 3.09Å; E151-K154 WeakPolarHBondContact OE1-CD 3.39Å; E151-K154 IonicContact OE1-NZ 3.44Å; E151-K154 PolarHBondContact OE1-NZ 2.78Å; F152-K154 VanDerWaalsContact C-N 3.31Å; F152-K154 PolarHBondContact O-N 3.44Å
155G96Very high96.4Very high33 Ų3347.2 Ų47.234%0.3425%0.249SC..THydrogen-bonded Turntrans-81.7-121.8-177.900000113.2E151 F152 L153 P157 F158 T159E151-G155 PolarHBondContact O-N 3.19Å; F152-G155 PolarHBondContact O-N 3.43Å; F152-G155 VanDerWaalsContact O-N 3.08Å; L153-G155 PolarHBondContact O-N 2.99Å; G155-P157 VanDerWaalsContact C-CD 3.49Å; G155-F158 PolarHBondContact O-N 3.41Å; G155-T159 PolarHBondContact O-N 2.97Å; G155-T159 VanDerWaalsContact O-N 3.16Å; G155-T159 PolarHBondContact O-OG1 2.73Å
156K95.1Very high96.5Very high117 Ų11750.1 Ų50.151%0.50926%0.262SS..Hα-helixtrans-53.7-46-177.4177.8168.9173.347.40113.8F77 F158 T159 D160F77-K156 HydrophobicContact CZ-CG 4.33Å; K156-F158 VanDerWaalsContact C-N 3.32Å; K156-F158 PolarHBondContact O-N 3.07Å; K156-T159 PolarHBondContact O-N 3.17Å; K156-T159 VanDerWaalsContact O-N 3.14Å; K156-D160 WeakPolarHBondContact CE-OD2 3.4Å; K156-D160 IonicContact NZ-OD1 3.8Å; K156-D160 PolarHBondContact NZ-OD1 2.81Å; K156-D160 IonicContact NZ-OD2 3.9Å; K156-D160 PolarHBondContact NZ-OD2 3.42Å; K156-D160 PolarHBondContact O-N 3.02Å
157P97.1Very high96.5Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-58.2-41-179.5-2435000113.1F67 F70 L71 F77 F152 L153 G155 Y161F67-P157 HydrophobicContact CZ-CB 4.43Å; F70-P157 WeakPolarHBondContact CE1-O 3.19Å; L71-P157 HydrophobicContact CD2-CB 4.16Å; F77-P157 HydrophobicContact CD1-CB 4.12Å; F77-P157 HydrophobicContact CD1-CG 3.7Å; F77-P157 HydrophobicContact CD2-CB 4.05Å; F77-P157 HydrophobicContact CE1-CB 4.23Å; F77-P157 HydrophobicContact CE1-CG 3.73Å; F77-P157 HydrophobicContact CE2-CB 4.15Å; F77-P157 HydrophobicContact CG-CB 4.05Å; F77-P157 HydrophobicContact CG-CG 4.13Å; F77-P157 HydrophobicContact CZ-CB 4.24Å; F77-P157 HydrophobicContact CZ-CG 4.16Å; F152-P157 HydrophobicContact CD1-CG 4.18Å; F152-P157 HydrophobicContact CE1-CG 3.7Å; F152-P157 HydrophobicContact CE2-CG 4.28Å; F152-P157 HydrophobicContact CZ-CG 3.76Å; F152-P157 WeakPolarHBondContact O-CD 3.3Å; L153-P157 HydrophobicContact CD2-CB 4.19Å; L153-P157 HydrophobicContact CD2-CG 4.3Å; G155-P157 VanDerWaalsContact C-CD 3.49Å; P157-Y161 WeakPolarHBondContact O-CB 3.48Å; P157-Y161 PolarHBondContact O-N 3.5Å
158F97.9Very high96.6Very high11 Ų1145.9 Ų45.95%0.04824%0.242CC..Hα-helixtrans-71.6-34.6177.7-179.1-131.2000112.9K51 F53 I56 C57 L153 G155 K156 Y161 Q162K51-F158 VanDerWaalsContact O-CE1 3.29Å; K51-F158 WeakPolarHBondContact O-CE1 3.3Å; F53-F158 HydrophobicContact CB-CD1 3.91Å; F53-F158 HydrophobicContact CB-CE1 3.88Å; F53-F158 HydrophobicContact CB-CG 4.29Å; F53-F158 HydrophobicContact CB-CZ 4.25Å; F53-F158 HydrophobicContact CD2-CB 3.85Å; F53-F158 HydrophobicContact CD2-CD1 4.19Å; F53-F158 AromaticContact CD2-CD2 3.82Å; F53-F158 HydrophobicContact CD2-CD2 3.82Å; F53-F158 HydrophobicContact CD2-CE2 4.4Å; F53-F158 AromaticContact CD2-CG 3.71Å; F53-F158 HydrophobicContact CD2-CG 3.71Å; F53-F158 HydrophobicContact CE2-CB 4.4Å; F53-F158 HydrophobicContact CG-CG 4.48Å; I56-F158 HydrophobicContact CD1-CZ 4.3Å; C57-F158 VanDerWaalsContact SG-CD2 3.6Å; C57-F158 VanDerWaalsContact SG-CE2 3.53Å; L153-F158 VanDerWaalsContact O-CB 3.24Å; L153-F158 WeakPolarHBondContact O-CB 3.31Å; L153-F158 PolarHBondContact O-N 3Å; L153-F158 VanDerWaalsContact O-N 3.1Å; G155-F158 PolarHBondContact O-N 3.41Å; K156-F158 VanDerWaalsContact C-N 3.32Å; K156-F158 PolarHBondContact O-N 3.07Å; F158-Y161 AromaticContact CD2-CD1 3.93Å; F158-Y161 HydrophobicContact CD2-CD1 3.93Å; F158-Y161 HydrophobicContact CE2-CD1 4.1Å; F158-Y161 PolarHBondContact O-N 3.13Å; F158-Q162 HydrophobicContact CE2-CG 4.26Å; F158-Q162 HydrophobicContact CZ-CG 4.43Å; F158-Q162 WeakPolarHBondContact O-CG 3.5Å; F158-Q162 PolarHBondContact O-N 3.11Å; F158-Q162 VanDerWaalsContact O-N 3.11Å
159T97.4Very high96.6Very high71 Ų7147.5 Ų47.544%0.43625%0.245SC..Hα-helixtrans-65.1-49174-58.20000110.7G155 K156 Y161 Q162 D163G155-T159 PolarHBondContact O-N 2.97Å; G155-T159 VanDerWaalsContact O-N 3.16Å; G155-T159 PolarHBondContact O-OG1 2.73Å; K156-T159 PolarHBondContact O-N 3.17Å; K156-T159 VanDerWaalsContact O-N 3.14Å; T159-Y161 VanDerWaalsContact C-N 3.26Å; T159-Y161 PolarHBondContact O-N 3.31Å; T159-Q162 WeakPolarHBondContact O-CB 3.29Å; T159-Q162 PolarHBondContact O-N 3.01Å; T159-Q162 VanDerWaalsContact O-N 3.08Å; T159-D163 PolarHBondContact O-N 3.31Å
160D97.7Very high96.7Very high46 Ų4647.5 Ų47.525%0.24625%0.245CC..Hα-helixtrans-62.2-35.7177.8-66.3-1.8000111.5F70 F77 K156 D163 S164F70-D160 HydrophobicContact CZ-CB 3.81Å; F77-D160 HydrophobicContact CE2-CB 4.29Å; F77-D160 WeakPolarHBondContact CZ-OD2 3.31Å; K156-D160 WeakPolarHBondContact CE-OD2 3.4Å; K156-D160 IonicContact NZ-OD1 3.8Å; K156-D160 PolarHBondContact NZ-OD1 2.81Å; K156-D160 IonicContact NZ-OD2 3.9Å; K156-D160 PolarHBondContact NZ-OD2 3.42Å; K156-D160 PolarHBondContact O-N 3.02Å; D160-D163 PolarHBondContact O-N 3.4Å; D160-S164 PolarHBondContact O-N 3.42Å
161Y98Very high96.8Very high0 Ų044.3 Ų44.30%023%0.234CC..Hα-helixtrans-60-45.3172.6169.9-117.1000112I56 L66 F67 F70 P157 F158 T159 D163 S164 F166 F167I56-Y161 HydrophobicContact CG2-CE1 4.23Å; L66-Y161 HydrophobicContact CB-CE2 4.39Å; F67-Y161 HydrophobicContact CB-CE1 4.42Å; F67-Y161 HydrophobicContact CB-CE2 4.32Å; F67-Y161 AromaticContact CD2-CD1 3.77Å; F67-Y161 HydrophobicContact CD2-CD1 3.77Å; F67-Y161 AromaticContact CD2-CD2 3.9Å; F67-Y161 HydrophobicContact CD2-CD2 3.9Å; F67-Y161 HydrophobicContact CD2-CE1 4.26Å; F67-Y161 HydrophobicContact CD2-CE2 4.39Å; F67-Y161 AromaticContact CD2-CG 3.56Å; F67-Y161 HydrophobicContact CD2-CG 3.56Å; F67-Y161 HydrophobicContact CE2-CD1 4.39Å; F67-Y161 HydrophobicContact CE2-CG 4.12Å; F70-Y161 HydrophobicContact CB-CD2 3.89Å; F70-Y161 HydrophobicContact CB-CE2 4.43Å; F70-Y161 HydrophobicContact CD1-CD2 4.1Å; F70-Y161 HydrophobicContact CD1-CG 4.36Å; F70-Y161 AromaticContact CG-CD2 3.92Å; F70-Y161 HydrophobicContact CG-CD2 3.92Å; P157-Y161 WeakPolarHBondContact O-CB 3.48Å; P157-Y161 PolarHBondContact O-N 3.5Å; F158-Y161 AromaticContact CD2-CD1 3.93Å; F158-Y161 HydrophobicContact CD2-CD1 3.93Å; F158-Y161 HydrophobicContact CE2-CD1 4.1Å; F158-Y161 PolarHBondContact O-N 3.13Å; T159-Y161 VanDerWaalsContact C-N 3.26Å; T159-Y161 PolarHBondContact O-N 3.31Å; Y161-D163 PolarHBondContact O-N 3.1Å; Y161-S164 VanDerWaalsContact O-CB 3.31Å; Y161-S164 WeakPolarHBondContact O-CB 3.41Å; Y161-S164 PolarHBondContact O-N 3.2Å; Y161-S164 PolarHBondContact O-OG 3.39Å; Y161-F166 HydrophobicContact CD2-CB 4.08Å; Y161-F166 HydrophobicContact CE2-CB 3.66Å; Y161-F167 HydrophobicContact CD1-CD2 4Å; Y161-F167 HydrophobicContact CD2-CB 4.5Å; Y161-F167 HydrophobicContact CE1-CB 4.36Å; Y161-F167 AromaticContact CE1-CD2 3.47Å; Y161-F167 HydrophobicContact CE1-CD2 3.47Å; Y161-F167 VanDerWaalsContact CE1-CD2 3.47Å; Y161-F167 HydrophobicContact CE1-CE2 4.2Å; Y161-F167 HydrophobicContact CE1-CG 4.36Å; Y161-F167 HydrophobicContact CE2-CB 4.29Å; Y161-F167 AromaticContact CZ-CD2 3.87Å; Y161-F167 WeakPolarHBondContact O-CB 3.36Å
162Q97.1Very high96.8Very high19 Ų1940.6 Ų40.69%0.08922%0.216CC..Hα-helixtrans-61.3-26.8-179.8-71.4174.73300113.6R46 F158 T159 F167R46-Q162 PolarHBondContact NH2-O 2.99Å; F158-Q162 HydrophobicContact CE2-CG 4.26Å; F158-Q162 HydrophobicContact CZ-CG 4.43Å; F158-Q162 WeakPolarHBondContact O-CG 3.5Å; F158-Q162 PolarHBondContact O-N 3.11Å; F158-Q162 VanDerWaalsContact O-N 3.11Å; T159-Q162 WeakPolarHBondContact O-CB 3.29Å; T159-Q162 PolarHBondContact O-N 3.01Å; T159-Q162 VanDerWaalsContact O-N 3.08Å; Q162-F167 HydrophobicContact CB-CD1 4.27Å; Q162-F167 HydrophobicContact CB-CE1 4.42Å; Q162-F167 HydrophobicContact CG-CE1 4.37Å; Q162-F167 HydrophobicContact CG-CE2 4.36Å; Q162-F167 HydrophobicContact CG-CZ 4.27Å; Q162-F167 VanDerWaalsContact O-CD1 3.27Å; Q162-F167 WeakPolarHBondContact O-CD1 3.38Å
163D96.2Very high96.9Very high126 Ų12638.3 Ų38.367%0.67421%0.206SC*.THydrogen-bonded Turntrans-92.6-0.6177.3-65.5-28.2000112.8T159 D160 Y161T159-D163 PolarHBondContact O-N 3.31Å; D160-D163 PolarHBondContact O-N 3.4Å; Y161-D163 PolarHBondContact O-N 3.1Å
164S96.8Very high96.9Very high11 Ų1138.9 Ų38.98%0.07721%0.208CC..SBendtrans-92.7158.1-177.681.20000113.3D160 Y161 F166 F167 D168D160-S164 PolarHBondContact O-N 3.42Å; Y161-S164 VanDerWaalsContact O-CB 3.31Å; Y161-S164 WeakPolarHBondContact O-CB 3.41Å; Y161-S164 PolarHBondContact O-N 3.2Å; Y161-S164 PolarHBondContact O-OG 3.39Å; S164-F166 PolarHBondContact O-N 2.86Å; S164-F166 VanDerWaalsContact O-N 3.13Å; S164-F166 PolarHBondContact OG-N 3.13Å; S164-F167 PolarHBondContact O-N 3.05Å; S164-D168 PolarHBondContact O-N 3.2Å
165P95.9Very high96.9Very high102 Ų10238.6 Ų38.666%0.66221%0.208SC*.Hα-helixtrans-59.1-21.8171.3-25.335000114.4F167 D168 K169P165-F167 VanDerWaalsContact C-N 3.34Å; P165-D168 PolarHBondContact O-N 3.17Å; P165-K169 PolarHBondContact O-N 2.98Å
166F96.9Very high96.9Very high61 Ų6137.3 Ų37.327%0.26819%0.193SC..Hα-helixtrans-67.2-37.6175.7-62.5-87.8000111.3L66 D69 F70 Y161 S164 K169 F170L66-F166 HydrophobicContact CD2-CD1 4.25Å; D69-F166 HydrophobicContact CB-CD1 4.17Å; D69-F166 HydrophobicContact CB-CE1 3.81Å; F70-F166 HydrophobicContact CB-CB 4.27Å; F70-F166 HydrophobicContact CB-CD1 4.48Å; F70-F166 HydrophobicContact CB-CD2 3.74Å; F70-F166 HydrophobicContact CB-CE2 4.13Å; F70-F166 HydrophobicContact CB-CG 3.93Å; F70-F166 AromaticContact CD2-CD2 3.84Å; F70-F166 HydrophobicContact CD2-CD2 3.84Å; F70-F166 HydrophobicContact CD2-CE2 4.16Å; F70-F166 HydrophobicContact CG-CD2 4.28Å; Y161-F166 HydrophobicContact CD2-CB 4.08Å; Y161-F166 HydrophobicContact CE2-CB 3.66Å; S164-F166 PolarHBondContact O-N 2.86Å; S164-F166 VanDerWaalsContact O-N 3.13Å; S164-F166 PolarHBondContact OG-N 3.13Å; F166-K169 WeakPolarHBondContact O-CB 3.41Å; F166-K169 PolarHBondContact O-N 3.35Å; F166-F170 PolarHBondContact O-N 2.97Å
167F97.3Very high97Very high3 Ų332.6 Ų32.61%0.01317%0.173CC..Hα-helixtrans-73.3-34.2175.5-169.5-109.7000112I49 I56 Y161 Q162 S164 P165 K169 F170 L171I49-F167 HydrophobicContact CG2-CZ 4.4Å; I56-F167 HydrophobicContact CD1-CE2 4.28Å; I56-F167 HydrophobicContact CG2-CE2 4.41Å; Y161-F167 HydrophobicContact CD1-CD2 4Å; Y161-F167 HydrophobicContact CD2-CB 4.5Å; Y161-F167 HydrophobicContact CE1-CB 4.36Å; Y161-F167 AromaticContact CE1-CD2 3.47Å; Y161-F167 HydrophobicContact CE1-CD2 3.47Å; Y161-F167 VanDerWaalsContact CE1-CD2 3.47Å; Y161-F167 HydrophobicContact CE1-CE2 4.2Å; Y161-F167 HydrophobicContact CE1-CG 4.36Å; Y161-F167 HydrophobicContact CE2-CB 4.29Å; Y161-F167 AromaticContact CZ-CD2 3.87Å; Y161-F167 WeakPolarHBondContact O-CB 3.36Å; Q162-F167 HydrophobicContact CB-CD1 4.27Å; Q162-F167 HydrophobicContact CB-CE1 4.42Å; Q162-F167 HydrophobicContact CG-CE1 4.37Å; Q162-F167 HydrophobicContact CG-CE2 4.36Å; Q162-F167 HydrophobicContact CG-CZ 4.27Å; Q162-F167 VanDerWaalsContact O-CD1 3.27Å; Q162-F167 WeakPolarHBondContact O-CD1 3.38Å; S164-F167 PolarHBondContact O-N 3.05Å; P165-F167 VanDerWaalsContact C-N 3.34Å; F167-K169 VanDerWaalsContact C-N 3.29Å; F167-K169 PolarHBondContact O-N 2.95Å; F167-F170 HydrophobicContact CD2-CB 4.48Å; F167-F170 AromaticContact CD2-CD1 3.87Å; F167-F170 HydrophobicContact CD2-CD1 3.87Å; F167-F170 AromaticContact CE2-CD1 3.67Å; F167-F170 HydrophobicContact CE2-CD1 3.67Å; F167-F170 HydrophobicContact CE2-CE1 4.07Å; F167-F170 HydrophobicContact CZ-CD1 4.46Å; F167-F170 WeakPolarHBondContact O-CB 2.88Å; F167-F170 PolarHBondContact O-N 3.28Å; F167-L171 HydrophobicContact CD1-CD1 3.91Å; F167-L171 HydrophobicContact CD1-CG 4.22Å; F167-L171 HydrophobicContact CE1-CD1 3.86Å; F167-L171 HydrophobicContact CE1-CD2 4.15Å; F167-L171 HydrophobicContact CE1-CG 4.09Å; F167-L171 HydrophobicContact CZ-CD2 4.24Å; F167-L171 VanDerWaalsContact O-CG 3.3Å; F167-L171 WeakPolarHBondContact O-CG 3.24Å; F167-L171 PolarHBondContact O-N 2.83Å
168D95.8Very high96.8Very high62 Ų6238 Ų3833%0.33220%0.196SC..Hα-helixtrans-57.8-44.4168.5-73.2-39000111.5R46 S164 P165 F170 L171 Q172R46-D168 IonicContact CZ-OD1 2.64Å; R46-D168 IonicContact NE-OD1 2.78Å; R46-D168 IonicContact NH2-OD1 3.58Å; R46-D168 PolarHBondContact NH2-OD1 3.15Å; R46-D168 IonicContact NH2-OD2 3.94Å; S164-D168 PolarHBondContact O-N 3.2Å; P165-D168 PolarHBondContact O-N 3.17Å; D168-F170 VanDerWaalsContact C-N 3.32Å; D168-F170 PolarHBondContact O-N 3.17Å; D168-L171 WeakPolarHBondContact O-CB 3.42Å; D168-L171 PolarHBondContact O-N 3.12Å; D168-L171 VanDerWaalsContact O-N 3.16Å; D168-Q172 WeakPolarHBondContact O-CG 3.39Å; D168-Q172 PolarHBondContact O-N 2.91Å
169K96.4Very high96.6Very high44 Ų4439.9 Ų39.919%0.19121%0.205CC..Hα-helixtrans-61.7-41.1175.6-170.361.8171-167.10112L36 L66 P165 F166 F167 L171 Q172 W173 L533 S534L36-K169 HydrophobicContact CD1-CD 4.28Å; L66-K169 HydrophobicContact CD1-CB 4.32Å; L66-K169 HydrophobicContact CD1-CG 4.31Å; L66-K169 HydrophobicContact CD2-CB 4.25Å; L66-K169 HydrophobicContact CD2-CG 4.09Å; P165-K169 PolarHBondContact O-N 2.98Å; F166-K169 WeakPolarHBondContact O-CB 3.41Å; F166-K169 PolarHBondContact O-N 3.35Å; F167-K169 VanDerWaalsContact C-N 3.29Å; F167-K169 PolarHBondContact O-N 2.95Å; K169-L171 VanDerWaalsContact C-N 3.33Å; K169-L171 PolarHBondContact O-N 2.88Å; K169-Q172 VanDerWaalsContact CD-OE1 3.24Å; K169-Q172 WeakPolarHBondContact O-CB 3.49Å; K169-Q172 PolarHBondContact O-N 2.71Å; K169-W173 VanDerWaalsContact O-CD1 3.31Å; K169-W173 PolarHBondContact O-N 2.83Å; K169-W173 VanDerWaalsContact O-N 3.16Å; K169-L533 PolarHBondContact NZ-O 3.33Å; K169-S534 WeakPolarHBondContact CE-OG 3.35Å
170F97.8Very high96.3Very high0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-59-45.1173.7173.5-111.7000111I49 I56 I62 L66 F166 F167 D168 Q172 W173 K174I49-F170 HydrophobicContact CD1-CD1 4.47Å; I49-F170 HydrophobicContact CD1-CE1 3.58Å; I49-F170 HydrophobicContact CD1-CZ 4.27Å; I56-F170 HydrophobicContact CB-CZ 4.46Å; I56-F170 HydrophobicContact CD1-CE1 4.35Å; I56-F170 HydrophobicContact CG1-CE1 4.14Å; I56-F170 HydrophobicContact CG1-CZ 4.22Å; I56-F170 HydrophobicContact CG2-CD1 4.28Å; I56-F170 HydrophobicContact CG2-CE1 3.72Å; I56-F170 HydrophobicContact CG2-CE2 4.48Å; I56-F170 HydrophobicContact CG2-CZ 3.84Å; I62-F170 HydrophobicContact CG2-CD2 4.34Å; L66-F170 HydrophobicContact CD1-CB 3.66Å; F166-F170 PolarHBondContact O-N 2.97Å; F167-F170 HydrophobicContact CD2-CB 4.48Å; F167-F170 AromaticContact CD2-CD1 3.87Å; F167-F170 HydrophobicContact CD2-CD1 3.87Å; F167-F170 AromaticContact CE2-CD1 3.67Å; F167-F170 HydrophobicContact CE2-CD1 3.67Å; F167-F170 HydrophobicContact CE2-CE1 4.07Å; F167-F170 HydrophobicContact CZ-CD1 4.46Å; F167-F170 WeakPolarHBondContact O-CB 2.88Å; F167-F170 PolarHBondContact O-N 3.28Å; D168-F170 VanDerWaalsContact C-N 3.32Å; D168-F170 PolarHBondContact O-N 3.17Å; F170-Q172 VanDerWaalsContact C-N 3.34Å; F170-Q172 PolarHBondContact O-N 3Å; F170-W173 WeakPolarHBondContact O-CB 3.28Å; F170-W173 PolarHBondContact O-N 3.12Å; F170-W173 VanDerWaalsContact O-N 3.14Å; F170-K174 HydrophobicContact CD1-CG 4.08Å; F170-K174 HydrophobicContact CD2-CD 4.47Å; F170-K174 HydrophobicContact CD2-CG 4.13Å; F170-K174 HydrophobicContact CE1-CD 4.27Å; F170-K174 HydrophobicContact CE1-CG 3.7Å; F170-K174 HydrophobicContact CE2-CD 3.7Å; F170-K174 HydrophobicContact CE2-CG 3.74Å; F170-K174 HydrophobicContact CG-CG 4.29Å; F170-K174 HydrophobicContact CZ-CD 3.58Å; F170-K174 HydrophobicContact CZ-CG 3.51Å; F170-K174 WeakPolarHBondContact O-CG 3.4Å; F170-K174 PolarHBondContact O-N 2.74Å
171L97.6Very high96.2Very high1 Ų138.5 Ų38.51%0.00520%0.199CC..Hα-helixtrans-63.3-36.7178.1-65.8171000112.7C42 I45 R46 I49 F167 D168 K169 W173 K174 E175C42-L171 HydrophobicContact CB-CB 4.23Å; I45-L171 HydrophobicContact CG2-CB 4.24Å; I45-L171 HydrophobicContact CG2-CD2 4.22Å; R46-L171 HydrophobicContact CB-CD1 3.75Å; R46-L171 HydrophobicContact CG-CD1 3.76Å; I49-L171 HydrophobicContact CD1-CD2 4.2Å; I49-L171 HydrophobicContact CG2-CD2 4.17Å; F167-L171 HydrophobicContact CD1-CD1 3.91Å; F167-L171 HydrophobicContact CD1-CG 4.22Å; F167-L171 HydrophobicContact CE1-CD1 3.86Å; F167-L171 HydrophobicContact CE1-CD2 4.15Å; F167-L171 HydrophobicContact CE1-CG 4.09Å; F167-L171 HydrophobicContact CZ-CD2 4.24Å; F167-L171 VanDerWaalsContact O-CG 3.3Å; F167-L171 WeakPolarHBondContact O-CG 3.24Å; F167-L171 PolarHBondContact O-N 2.83Å; D168-L171 WeakPolarHBondContact O-CB 3.42Å; D168-L171 PolarHBondContact O-N 3.12Å; D168-L171 VanDerWaalsContact O-N 3.16Å; K169-L171 VanDerWaalsContact C-N 3.33Å; K169-L171 PolarHBondContact O-N 2.88Å; L171-W173 VanDerWaalsContact C-N 3.34Å; L171-W173 PolarHBondContact O-N 2.92Å; L171-K174 PolarHBondContact O-N 3.18Å; L171-E175 WeakPolarHBondContact O-CB 3.45Å; L171-E175 PolarHBondContact O-N 2.87Å
172Q97.2Very high96.1Very high31 Ų3139.8 Ų39.815%0.14521%0.208CC..Hα-helixtrans-59.8-44.4172.2-66.1-179.8-68.900111.7L36 P37 D168 K169 F170 E175 Y176L36-Q172 HydrophobicContact CB-CB 4.34Å; P37-Q172 WeakPolarHBondContact O-CG 3.32Å; P37-Q172 PolarHBondContact O-NE2 2.94Å; D168-Q172 WeakPolarHBondContact O-CG 3.39Å; D168-Q172 PolarHBondContact O-N 2.91Å; K169-Q172 VanDerWaalsContact CD-OE1 3.24Å; K169-Q172 WeakPolarHBondContact O-CB 3.49Å; K169-Q172 PolarHBondContact O-N 2.71Å; F170-Q172 VanDerWaalsContact C-N 3.34Å; F170-Q172 PolarHBondContact O-N 3Å; Q172-E175 PolarHBondContact O-N 3.4Å; Q172-Y176 WeakPolarHBondContact O-CB 3.45Å; Q172-Y176 PolarHBondContact O-N 3.06Å
173W97.7Very high95.9Very high1 Ų143.3 Ų43.30%0.00423%0.227CC..Hα-helixtrans-64.9-40.6175.3-82.7108.3000112.4L36 I62 K169 F170 L171 E175 Y176 E177 W520 M524 Y530 L533 S534L36-W173 HydrophobicContact CD1-CD2 4.48Å; L36-W173 HydrophobicContact CD1-CZ2 4.07Å; L36-W173 HydrophobicContact CD2-CD2 3.83Å; L36-W173 HydrophobicContact CD2-CE3 3.97Å; L36-W173 HydrophobicContact CD2-CG 4.33Å; L36-W173 HydrophobicContact CD2-CH2 4.25Å; L36-W173 HydrophobicContact CD2-CZ2 4.12Å; L36-W173 HydrophobicContact CD2-CZ3 4.19Å; L36-W173 HydrophobicContact CG-CZ2 4.5Å; I62-W173 HydrophobicContact CD1-CB 4.24Å; I62-W173 HydrophobicContact CD1-CD2 3.76Å; I62-W173 HydrophobicContact CD1-CE3 3.77Å; I62-W173 HydrophobicContact CD1-CG 3.97Å; I62-W173 HydrophobicContact CD1-CZ3 4.43Å; I62-W173 HydrophobicContact CG2-CB 4.14Å; I62-W173 HydrophobicContact CG2-CG 4.02Å; K169-W173 VanDerWaalsContact O-CD1 3.31Å; K169-W173 PolarHBondContact O-N 2.83Å; K169-W173 VanDerWaalsContact O-N 3.16Å; F170-W173 WeakPolarHBondContact O-CB 3.28Å; F170-W173 PolarHBondContact O-N 3.12Å; F170-W173 VanDerWaalsContact O-N 3.14Å; L171-W173 VanDerWaalsContact C-N 3.34Å; L171-W173 PolarHBondContact O-N 2.92Å; W173-E175 VanDerWaalsContact C-N 3.3Å; W173-E175 PolarHBondContact O-N 2.72Å; W173-Y176 HydrophobicContact CE3-CD1 4.28Å; W173-Y176 HydrophobicContact CZ3-CD1 4.06Å; W173-Y176 HydrophobicContact CZ3-CE1 4.5Å; W173-Y176 PolarHBondContact O-N 3.04Å; W173-E177 WeakPolarHBondContact O-CB 3.4Å; W173-E177 PolarHBondContact O-N 3.32Å; W173-W520 AromaticContact CE3-CH2 3.86Å; W173-W520 HydrophobicContact CE3-CH2 3.86Å; W173-W520 HydrophobicContact CE3-CZ3 4.22Å; W173-W520 HydrophobicContact CZ3-CH2 4.24Å; W173-M524 HydrophobicContact CE3-CG 4.36Å; W173-M524 HydrophobicContact CH2-CB 4.48Å; W173-M524 HydrophobicContact CZ3-CB 4.05Å; W173-M524 HydrophobicContact CZ3-CG 3.81Å; W173-M524 HydrophobicContact CZ3-SD 4.23Å; W173-Y530 AromaticContact CD1-CE2 3.89Å; W173-Y530 HydrophobicContact CD2-CD2 4.2Å; W173-Y530 AromaticContact CE2-CD2 3.48Å; W173-Y530 VanDerWaalsContact CE2-CD2 3.48Å; W173-Y530 AromaticContact CE2-CE2 3.84Å; W173-Y530 HydrophobicContact CH2-CD2 4.35Å; W173-Y530 AromaticContact CZ2-CD2 3.6Å; W173-Y530 HydrophobicContact CZ2-CD2 3.6Å; W173-Y530 HydrophobicContact CZ2-CE2 4.31Å; W173-Y530 HydrophobicContact CZ2-CG 4.2Å; W173-Y530 AromaticContact NE1-CD2 3.49Å; W173-Y530 AromaticContact NE1-CE2 3.32Å; W173-Y530 VanDerWaalsContact NE1-CE2 3.32Å; W173-L533 HydrophobicContact CH2-CB 3.94Å; W173-L533 HydrophobicContact CH2-CD1 3.99Å; W173-L533 HydrophobicContact CH2-CG 4.35Å; W173-L533 HydrophobicContact CZ2-CB 3.9Å; W173-S534 PolarHBondContact NE1-OG 3.4Å; W173-S534 VanDerWaalsContact NE1-OG 3.15Å
174K97.1Very high95.8Very high17 Ų1743.7 Ų43.77%0.07422%0.223CC..Hα-helixtrans-65.8-32.7176.4-69.9-55.3-53.7179.80112.6I45 I49 F170 L171 E177I45-K174 VanDerWaalsContact CD1-C 3.4Å; I45-K174 HydrophobicContact CD1-CB 3.33Å; I45-K174 WeakPolarHBondContact CD1-O 3.47Å; I45-K174 HydrophobicContact CG1-CB 4.36Å; I49-K174 HydrophobicContact CD1-CG 4.31Å; F170-K174 HydrophobicContact CD1-CG 4.08Å; F170-K174 HydrophobicContact CD2-CD 4.47Å; F170-K174 HydrophobicContact CD2-CG 4.13Å; F170-K174 HydrophobicContact CE1-CD 4.27Å; F170-K174 HydrophobicContact CE1-CG 3.7Å; F170-K174 HydrophobicContact CE2-CD 3.7Å; F170-K174 HydrophobicContact CE2-CG 3.74Å; F170-K174 HydrophobicContact CG-CG 4.29Å; F170-K174 HydrophobicContact CZ-CD 3.58Å; F170-K174 HydrophobicContact CZ-CG 3.51Å; F170-K174 WeakPolarHBondContact O-CG 3.4Å; F170-K174 PolarHBondContact O-N 2.74Å; L171-K174 PolarHBondContact O-N 3.18Å; K174-E177 IonicContact NZ-OE1 2.59Å; K174-E177 PolarHBondContact NZ-OE1 2.9Å; K174-E177 IonicContact NZ-OE2 2.74Å; K174-E177 PolarHBondContact NZ-OE2 2.62Å
175E96.3Very high95.7Very high55 Ų5544.4 Ų44.426%0.25722%0.224SC..Hα-helixtrans-74.3-37.5173.5-16861.1-158.500111.2P37 I45 L171 Q172 W173 E177 K178P37-E175 HydrophobicContact CB-CB 4.41Å; P37-E175 HydrophobicContact CB-CG 4.22Å; P37-E175 HydrophobicContact CG-CB 4.06Å; P37-E175 HydrophobicContact CG-CG 4.05Å; I45-E175 WeakPolarHBondContact CB-OE2 3.32Å; I45-E175 HydrophobicContact CG2-CB 4.34Å; L171-E175 WeakPolarHBondContact O-CB 3.45Å; L171-E175 PolarHBondContact O-N 2.87Å; Q172-E175 PolarHBondContact O-N 3.4Å; W173-E175 VanDerWaalsContact C-N 3.3Å; W173-E175 PolarHBondContact O-N 2.72Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 3.38Å; E175-K178 PolarHBondContact O-N 3.13Å; E175-K178 IonicContact OE2-NZ 3.12Å
176Y95.9Very high95.7Very high5 Ų540.1 Ų40.12%0.0220%0.195CC..Hα-helixtrans-62.9-36.2172.9-168.2-105.6000112.5L36 Q172 W173 K178 Q179 W520 L533L36-Y176 HydrophobicContact CD2-CD2 4.41Å; L36-Y176 HydrophobicContact CD2-CG 4.06Å; Q172-Y176 WeakPolarHBondContact O-CB 3.45Å; Q172-Y176 PolarHBondContact O-N 3.06Å; W173-Y176 HydrophobicContact CE3-CD1 4.28Å; W173-Y176 HydrophobicContact CZ3-CD1 4.06Å; W173-Y176 HydrophobicContact CZ3-CE1 4.5Å; W173-Y176 PolarHBondContact O-N 3.04Å; Y176-K178 VanDerWaalsContact C-N 3.25Å; Y176-K178 PolarHBondContact O-N 2.88Å; Y176-Q179 VanDerWaalsContact CD2-NE2 3.35Å; Y176-Q179 VanDerWaalsContact O-CG 3.32Å; Y176-Q179 WeakPolarHBondContact O-CG 3.37Å; Y176-Q179 PolarHBondContact O-N 3.5Å; Y176-W520 AromaticContact CD1-CH2 3.66Å; Y176-W520 HydrophobicContact CD1-CH2 3.66Å; Y176-W520 AromaticContact CD1-CZ2 3.54Å; Y176-W520 HydrophobicContact CD1-CZ2 3.54Å; Y176-W520 HydrophobicContact CE1-CH2 4.48Å; Y176-W520 HydrophobicContact CE1-CZ2 4.01Å; Y176-L533 HydrophobicContact CE1-CD1 4.49Å
177E96.7Very high95.6Very high18 Ų1841.2 Ų41.28%0.08420%0.198CC..Hα-helixtrans-60.7-30.6175.8-170.7-172.696.600113.1W173 K174 E175 Q179 A515 P517 W520 Q521W173-E177 WeakPolarHBondContact O-CB 3.4Å; W173-E177 PolarHBondContact O-N 3.32Å; K174-E177 IonicContact NZ-OE1 2.59Å; K174-E177 PolarHBondContact NZ-OE1 2.9Å; K174-E177 IonicContact NZ-OE2 2.74Å; K174-E177 PolarHBondContact NZ-OE2 2.62Å; E175-E177 VanDerWaalsContact C-N 3.31Å; E175-E177 PolarHBondContact O-N 3.38Å; E177-Q179 PolarHBondContact O-N 3.05Å; E177-A515 HydrophobicContact CG-CB 4.16Å; E177-P517 WeakPolarHBondContact OE1-CG 3.2Å; E177-W520 HydrophobicContact CB-CD2 4.29Å; E177-W520 HydrophobicContact CB-CE3 3.87Å; E177-W520 HydrophobicContact CB-CH2 3.69Å; E177-W520 HydrophobicContact CB-CZ2 4.14Å; E177-W520 HydrophobicContact CB-CZ3 3.57Å; E177-W520 HydrophobicContact CG-CD2 3.83Å; E177-W520 HydrophobicContact CG-CE3 3.57Å; E177-W520 HydrophobicContact CG-CG 4.38Å; E177-W520 HydrophobicContact CG-CH2 4.28Å; E177-W520 HydrophobicContact CG-CZ3 3.83Å; E177-Q521 PolarHBondContact OE2-NE2 2.89Å
178K94Very high95.4Very high113 Ų11345.8 Ų45.849%0.49122%0.219SC..THydrogen-bonded Turntrans-78.41.2-176.4-72.3177.5178175.70114.6I45 E175 Y176I45-K178 HydrophobicContact CD1-CD 4.07Å; I45-K178 VanDerWaalsContact CD1-CE 3.42Å; I45-K178 VanDerWaalsContact CD1-NZ 3.29Å; E175-K178 PolarHBondContact O-N 3.13Å; E175-K178 IonicContact OE2-NZ 3.12Å; Y176-K178 VanDerWaalsContact C-N 3.25Å; Y176-K178 PolarHBondContact O-N 2.88Å
179Q91.9Very high95.2Very high51 Ų5145.5 Ų45.524%0.23822%0.215CC..SBendtrans-58.7138.3-179.9-75.3-174.53.900111.4Y176 E177 I181 L556Y176-Q179 VanDerWaalsContact CD2-NE2 3.35Å; Y176-Q179 VanDerWaalsContact O-CG 3.32Å; Y176-Q179 WeakPolarHBondContact O-CG 3.37Å; Y176-Q179 PolarHBondContact O-N 3.5Å; E177-Q179 PolarHBondContact O-N 3.05Å; Q179-I181 PolarHBondContact O-N 2.9Å; Q179-L556 HydrophobicContact CB-CD1 3.91Å; Q179-L556 HydrophobicContact CG-CD1 3.73Å
180P92.7Very high94.7Very high68 Ų6843.6 Ų43.644%0.44221%0.207SC..PPolyproline II helixtrans-55.3131.4177.9-27.634.7000112.6L556P180-L556 HydrophobicContact CB-CB 4.42Å; P180-L556 HydrophobicContact CG-CB 3.98Å
181I95.6Very high94.3Very high21 Ų2145.1 Ų45.111%0.10822%0.216CC..PPolyproline II helixtrans-103.1129.1177.4-55.1-62000109.3Q179 Y185 F186 Y251 Y253Q179-I181 PolarHBondContact O-N 2.9Å; I181-Y185 HydrophobicContact CD1-CD1 4.31Å; I181-Y185 HydrophobicContact CD1-CD2 4.3Å; I181-Y185 HydrophobicContact CD1-CE1 4.3Å; I181-Y185 HydrophobicContact CD1-CE2 4.31Å; I181-Y185 HydrophobicContact CD1-CG 4.3Å; I181-F186 HydrophobicContact CG2-CE2 3.78Å; I181-F186 HydrophobicContact CG2-CZ 4.06Å; I181-Y251 HydrophobicContact CD1-CD1 3.9Å; I181-Y251 HydrophobicContact CD1-CE1 3.94Å; I181-Y251 HydrophobicContact CG1-CD1 3.95Å; I181-Y251 HydrophobicContact CG1-CE1 4.47Å; I181-Y251 HydrophobicContact CG2-CD1 4.08Å; I181-Y251 HydrophobicContact CG2-CG 4.48Å; I181-Y253 HydrophobicContact CG2-CD1 3.98Å; I181-Y253 HydrophobicContact CG2-CG 4.17Å
182S95Very high93.8Very high27 Ų2746.8 Ų46.819%0.18923%0.225CC..  trans-140.9177.1175.464.70000110.8K184 Y185 F186S182-K184 PolarHBondContact O-N 3.14Å; S182-K184 VanDerWaalsContact O-N 3.15Å; S182-Y185 VanDerWaalsContact O-CB 3.26Å; S182-Y185 WeakPolarHBondContact O-CB 3.49Å; S182-Y185 PolarHBondContact O-N 3.39Å; S182-F186 WeakPolarHBondContact O-CD2 3.25Å
183D93.8Very high93.3Very high93 Ų9346.4 Ų46.450%0.49723%0.229SC..G310 helixtrans-56.4-27173.760.6-22.4000113.2Y185 F186 Y253 T255D183-Y185 PolarHBondContact O-N 3.24Å; D183-F186 PolarHBondContact O-N 3.17Å; D183-Y253 HydrophobicContact CB-CE2 4.19Å; D183-T255 HydrophobicContact CB-CG2 4.01Å
184K94.4Very high92.6Very high133 Ų13349.9 Ų49.958%0.57824%0.244SC*.G310 helixtrans-64.8-18.9175.1-60.6175.7-169159.30113.7S182 F186 K206 L557S182-K184 PolarHBondContact O-N 3.14Å; S182-K184 VanDerWaalsContact O-N 3.15Å; K184-F186 PolarHBondContact O-N 3.18Å; K184-K206 WeakPolarHBondContact O-CD 3.5Å; K184-K206 WeakPolarHBondContact O-CE 3.38Å; K184-K206 PolarHBondContact O-NZ 3.29Å; K184-L557 PolarHBondContact NZ-O 3.22Å
185Y94.4Very high91.8Very high26 Ų2651.1 Ų51.110%0.10226%0.262CS..G310 helixtrans-75.6-12.2179.3-158.8-101.1000113I181 S182 D183 V205 K206 Y251I181-Y185 HydrophobicContact CD1-CD1 4.31Å; I181-Y185 HydrophobicContact CD1-CD2 4.3Å; I181-Y185 HydrophobicContact CD1-CE1 4.3Å; I181-Y185 HydrophobicContact CD1-CE2 4.31Å; I181-Y185 HydrophobicContact CD1-CG 4.3Å; S182-Y185 VanDerWaalsContact O-CB 3.26Å; S182-Y185 WeakPolarHBondContact O-CB 3.49Å; S182-Y185 PolarHBondContact O-N 3.39Å; D183-Y185 PolarHBondContact O-N 3.24Å; Y185-V205 HydrophobicContact CD1-CG1 3.93Å; Y185-V205 HydrophobicContact CD1-CG2 4.39Å; Y185-V205 HydrophobicContact CE1-CB 4.36Å; Y185-V205 HydrophobicContact CE1-CG1 3.34Å; Y185-V205 HydrophobicContact CE1-CG2 4.19Å; Y185-K206 WeakPolarHBondContact O-CG 3.39Å; Y185-K206 PolarHBondContact O-N 3.14Å; Y185-K206 VanDerWaalsContact O-N 3.1Å; Y185-Y251 AromaticContact CE1-CE1 4Å; Y185-Y251 HydrophobicContact CE1-CE1 4Å
186F95.9Very high91Very high13 Ų1350.7 Ų50.76%0.05727%0.272CS..EExtended strand (participates in β ladder)trans-124.5148.3-172.2-54.6-83.3000112.8I181 S182 D183 K184 V203 Q204 V205 K206 Y251 Y253 V262I181-F186 HydrophobicContact CG2-CE2 3.78Å; I181-F186 HydrophobicContact CG2-CZ 4.06Å; S182-F186 WeakPolarHBondContact O-CD2 3.25Å; D183-F186 PolarHBondContact O-N 3.17Å; K184-F186 PolarHBondContact O-N 3.18Å; F186-V203 HydrophobicContact CB-CB 4.25Å; F186-V203 HydrophobicContact CD1-CB 4.42Å; F186-V203 HydrophobicContact CD1-CG2 4.09Å; F186-Q204 CarbonylContact C-O 3.29Å; F186-Q204 VanDerWaalsContact CA-O 3.26Å; F186-Q204 WeakPolarHBondContact CA-O 3.46Å; F186-V205 HydrophobicContact CD1-CG2 3.89Å; F186-V205 HydrophobicContact CE1-CG2 3.56Å; F186-K206 VanDerWaalsContact C-CE 3.47Å; F186-K206 WeakPolarHBondContact O-CE 3Å; F186-Y251 AromaticContact CE1-CD2 3.98Å; F186-Y251 HydrophobicContact CE1-CD2 3.98Å; F186-Y251 HydrophobicContact CE1-CE2 4.11Å; F186-Y251 HydrophobicContact CE1-CG 4.48Å; F186-Y251 HydrophobicContact CZ-CD1 4.33Å; F186-Y251 AromaticContact CZ-CD2 3.83Å; F186-Y251 HydrophobicContact CZ-CD2 3.83Å; F186-Y251 HydrophobicContact CZ-CE2 4.26Å; F186-Y251 AromaticContact CZ-CG 3.87Å; F186-Y251 HydrophobicContact CZ-CG 3.87Å; F186-Y253 HydrophobicContact CD2-CE1 4.05Å; F186-Y253 HydrophobicContact CE2-CD1 4.09Å; F186-Y253 AromaticContact CE2-CE1 3.52Å; F186-Y253 HydrophobicContact CE2-CE1 3.52Å; F186-Y253 AromaticContact CE2-CZ 3.99Å; F186-Y253 HydrophobicContact CZ-CE1 4.27Å; F186-V262 HydrophobicContact CE1-CG1 4Å; F186-V262 HydrophobicContact CE1-CG2 4.14Å; F186-V262 HydrophobicContact CE2-CG2 4.28Å; F186-V262 HydrophobicContact CZ-CG1 4.42Å; F186-V262 HydrophobicContact CZ-CG2 3.85Å
187Y94.3Very high90.5Very high83 Ų8352.8 Ų52.833%0.32528%0.281SS..EExtended strand (participates in β ladder)trans-92.3138.2154.4-67.1-65.6000108.9R30 V203 Q204 K206R30-Y187 VanDerWaalsContact NH1-CE2 3.34Å; R30-Y187 PolarHBondContact NH2-OH 3.43Å; Y187-V203 CarbonylContact O-C 3.53Å; Y187-V203 WeakPolarHBondContact O-CA 3.47Å; Y187-V203 WeakPolarHBondContact O-CB 3.45Å; Y187-Q204 PolarHBondContact N-O 2.88Å; Y187-Q204 PolarHBondContact O-N 2.84Å; Y187-K206 HydrophobicContact CD2-CB 4.43Å; Y187-K206 HydrophobicContact CD2-CD 4.3Å; Y187-K206 HydrophobicContact CD2-CG 3.64Å; Y187-K206 HydrophobicContact CE1-CD 4.15Å; Y187-K206 HydrophobicContact CE2-CB 3.96Å; Y187-K206 HydrophobicContact CE2-CD 3.78Å; Y187-K206 HydrophobicContact CE2-CG 3.41Å; Y187-K206 VanDerWaalsContact CE2-CG 3.41Å; Y187-K206 HydrophobicContact CG-CG 4.26Å
188E93.9Very high90.1Very high100 Ų10052.3 Ų52.347%0.46728%0.281SS..EExtended strand (participates in β ladder)trans-106.2140.4176.8-178.4169.3175.200110.4C201 V203 K216E188-C201 HydrophobicContact CG-CB 4.33Å; E188-C201 PolarHBondContact OE1-SG 3.28Å; E188-V203 HydrophobicContact CB-CG1 4.39Å; E188-V203 HydrophobicContact CG-CG1 4.42Å; E188-K216 IonicContact OE1-NZ 2.66Å; E188-K216 PolarHBondContact OE1-NZ 3.04Å; E188-K216 IonicContact OE2-NZ 3.51Å; E188-K216 PolarHBondContact OE2-NZ 3.26Å
189F90.4Very high90Very high56 Ų5649 Ų4925%0.24627%0.268CS..EExtended strand (participates in β ladder)trans-120.8-118-177.4-61.2-91.4000109.9A15 A19 A202 Q204 M211A15-F189 HydrophobicContact CB-CD1 4.35Å; A19-F189 HydrophobicContact CB-CD1 4.16Å; A19-F189 HydrophobicContact CB-CE1 3.47Å; A19-F189 VanDerWaalsContact CB-CE1 3.47Å; A19-F189 HydrophobicContact CB-CE2 4.12Å; A19-F189 HydrophobicContact CB-CZ 3.45Å; A19-F189 VanDerWaalsContact CB-CZ 3.45Å; F189-A202 HydrophobicContact CB-CB 4.3Å; F189-A202 PolarHBondContact N-O 3.07Å; F189-Q204 HydrophobicContact CE2-CB 3.56Å; F189-Q204 HydrophobicContact CZ-CB 4.24Å; F189-M211 HydrophobicContact CD2-CE 4.32Å; F189-M211 HydrophobicContact CE2-SD 4.49Å
190R86.9Confident90.1Very high4 Ų448.4 Ų48.42%0.01527%0.268CS..EExtended strand (participates in β ladder)trans-92.6142.8-170-177174.9-164-136.4-7112.1N9 A12 N13 L192 C201 A202 K484 D485 T486N9-R190 PolarHBondContact OD1-NH2 3.12Å; A12-R190 HydrophobicContact CB-CB 4.31Å; A12-R190 HydrophobicContact CB-CG 4.2Å; N13-R190 WeakPolarHBondContact OD1-CD 3.18Å; N13-R190 PolarHBondContact OD1-NE 3.48Å; N13-R190 PolarHBondContact OD1-NH1 2.58Å; R190-L192 PolarHBondContact O-N 2.95Å; R190-C201 CarbonylContact O-C 3.56Å; R190-C201 VanDerWaalsContact O-CA 3.3Å; R190-C201 WeakPolarHBondContact O-CA 3.29Å; R190-A202 PolarHBondContact O-N 2.72Å; R190-K484 PolarHBondContact NH2-O 3.13Å; R190-D485 IonicContact NH2-OD1 3.23Å; R190-T486 HydrophobicContact CG-CG2 4.02Å
191T89.3Confident90.2Very high31 Ų3145.2 Ų45.219%0.1925%0.247CC..EExtended strand (participates in β ladder)trans-68.8122.5165.3-56.20000110.3E199 V200 I489T191-E199 HydrophobicContact CG2-CB 4.22Å; T191-V200 CarbonylContact C-O 3.55Å; T191-I489 HydrophobicContact CG2-CD1 4.19Å; T191-I489 HydrophobicContact CG2-CG2 4.37Å
192L87.2Confident90.1Very high37 Ų3744.2 Ų44.219%0.19424%0.241CC..EExtended strand (participates in β ladder)trans-90.3-30-179.5-57.1175.9000111.9R190 V200 A202 A213 L265R190-L192 PolarHBondContact O-N 2.95Å; L192-V200 HydrophobicContact CB-CG1 4.48Å; L192-V200 HydrophobicContact CD1-CG1 4.41Å; L192-V200 PolarHBondContact N-O 3.01Å; L192-A202 HydrophobicContact CD1-CB 4.22Å; L192-A202 HydrophobicContact CD2-CB 4.3Å; L192-A202 HydrophobicContact CG-CB 4.35Å; L192-A213 HydrophobicContact CD1-CB 4.2Å; L192-L265 HydrophobicContact CD1-CD1 3.51Å
193G85.3Confident90.2Very high23 Ų2343 Ų4324%0.23723%0.233CC..EExtended strand (participates in β ladder)trans-173.2170.3179.700000113.4E199 V200G193-E199 WeakPolarHBondContact O-CA 3.39Å; G193-V200 PolarHBondContact N-O 3.37Å; G193-V200 PolarHBondContact O-N 2.85Å
194K84.3Confident90.3Very high73 Ų7339.6 Ų39.632%0.31721%0.214SC..EExtended strand (participates in β ladder)trans-129.4139.6175.3-78.3-175.9-169.5156.30110.9E199 I489 A490 F492K194-E199 HydrophobicContact CG-CB 3.8Å; K194-I489 HydrophobicContact CB-CG2 3.99Å; K194-I489 HydrophobicContact CD-CG2 3.33Å; K194-I489 HydrophobicContact CG-CG2 3.41Å; K194-I489 VanDerWaalsContact CG-CG2 3.41Å; K194-I489 PolarHBondContact NZ-O 3.46Å; K194-A490 WeakPolarHBondContact CD-O 3.24Å; K194-A490 WeakPolarHBondContact CE-O 3.12Å; K194-A490 PolarHBondContact NZ-O 3.41Å; K194-F492 HydrophobicContact CB-CE2 4.21Å; K194-F492 HydrophobicContact CB-CZ 3.88Å; K194-F492 HydrophobicContact CD-CD2 4.08Å; K194-F492 HydrophobicContact CD-CE2 3.62Å; K194-F492 HydrophobicContact CD-CZ 3.95Å; K194-F492 HydrophobicContact CG-CE2 3.79Å; K194-F492 HydrophobicContact CG-CZ 3.99Å
195G79.8Confident90.3Very high44 Ų4433.2 Ų33.245%0.45419%0.187SC..  trans-125.7-172.4179.700000113F197 G198 F492G195-F197 VanDerWaalsContact C-N 3.26Å; G195-F197 PolarHBondContact O-N 2.97Å; G195-G198 PolarHBondContact N-O 3.33Å; G195-F492 VanDerWaalsContact O-CZ 3.26Å; G195-F492 WeakPolarHBondContact O-CZ 3.46Å
196G79.9Confident90.2Very high45 Ų4534.6 Ų34.646%0.46419%0.193SC..SBendtrans-62.8-27.4-173.100000115.2R221 K225G196-R221 WeakPolarHBondContact O-CD 3.28Å; G196-K225 PolarHBondContact O-NZ 2.99Å
197F85.5Confident89.9Confident49 Ų4935.6 Ų35.622%0.21520%0.199CC..SBendtrans-115.5-6-173.1-62-72.8000114.4G195 L217 C218 L222 K225 M230G195-F197 VanDerWaalsContact C-N 3.26Å; G195-F197 PolarHBondContact O-N 2.97Å; F197-L217 HydrophobicContact CB-CD2 3.85Å; F197-C218 PolarHBondContact O-N 2.92Å; F197-L222 HydrophobicContact CB-CD1 4.39Å; F197-L222 HydrophobicContact CD1-CD1 3.96Å; F197-L222 HydrophobicContact CE1-CD1 4.46Å; F197-L222 HydrophobicContact CG-CD1 4.18Å; F197-K225 HydrophobicContact CD1-CD 4.06Å; F197-K225 HydrophobicContact CE1-CB 3.77Å; F197-K225 HydrophobicContact CE1-CD 3.69Å; F197-K225 HydrophobicContact CE1-CG 4.38Å; F197-M230 HydrophobicContact CE2-SD 3.82Å; F197-M230 HydrophobicContact CZ-SD 4.25Å
198G88.8Confident89.8Confident8 Ų832 Ų328%0.08219%0.186CC..EExtended strand (participates in β ladder)trans161.5-148.9-179.800000111.9G195 K216 F492G195-G198 PolarHBondContact N-O 3.33Å; G198-K216 CarbonylContact C-O 3.53Å; G198-K216 VanDerWaalsContact CA-O 3.26Å; G198-K216 WeakPolarHBondContact CA-O 3.45Å; G198-F492 VanDerWaalsContact C-CE2 3.48Å; G198-F492 WeakPolarHBondContact O-CE2 3.44Å; G198-F492 WeakPolarHBondContact O-CZ 3.32Å
199E91.7Very high89.7Confident45 Ų4528.1 Ų28.121%0.2117%0.173CC..EExtended strand (participates in β ladder)trans-126.8165.1-170.271.8-168.515800112.7T191 G193 K194 K216 F492T191-E199 HydrophobicContact CG2-CB 4.22Å; G193-E199 WeakPolarHBondContact O-CA 3.39Å; K194-E199 HydrophobicContact CG-CB 3.8Å; E199-K216 HydrophobicContact CG-CB 4.43Å; E199-K216 PolarHBondContact N-O 3.42Å; E199-K216 VanDerWaalsContact N-O 3.08Å; E199-K216 PolarHBondContact O-N 3.5Å; E199-F492 HydrophobicContact CB-CE2 4.34Å
200V93.3Very high89.9Confident38 Ų3828.4 Ų28.423%0.2318%0.175CC..EExtended strand (participates in β ladder)trans-118.3125173-176.20000107.6T191 L192 G193 A213 C214 K215T191-V200 CarbonylContact C-O 3.55Å; L192-V200 HydrophobicContact CB-CG1 4.48Å; L192-V200 HydrophobicContact CD1-CG1 4.41Å; L192-V200 PolarHBondContact N-O 3.01Å; G193-V200 PolarHBondContact N-O 3.37Å; G193-V200 PolarHBondContact O-N 2.85Å; V200-A213 HydrophobicContact CG1-CB 3.93Å; V200-C214 VanDerWaalsContact CA-O 3.31Å; V200-C214 WeakPolarHBondContact CA-O 3.39Å; V200-K215 HydrophobicContact CG2-CB 4.14Å; V200-K215 HydrophobicContact CG2-CG 4.1Å
201C93.9Very high90.3Very high0 Ų029.1 Ų29.10%018%0.178CC..EExtended strand (participates in β ladder)trans-123153.9175.959.60000112E188 R190 A213 C214E188-C201 HydrophobicContact CG-CB 4.33Å; E188-C201 PolarHBondContact OE1-SG 3.28Å; R190-C201 CarbonylContact O-C 3.56Å; R190-C201 VanDerWaalsContact O-CA 3.3Å; R190-C201 WeakPolarHBondContact O-CA 3.29Å; C201-A213 CarbonylContact O-C 3.58Å; C201-A213 WeakPolarHBondContact O-CA 3.16Å; C201-C214 PolarHBondContact N-O 3.26Å; C201-C214 PolarHBondContact O-N 3.45Å
202A94.7Very high90.7Very high0 Ų028.4 Ų28.40%017%0.172CC..EExtended strand (participates in β ladder)trans-75133.5170.300000109.8Y16 F189 R190 L192 M211 Y212Y16-A202 HydrophobicContact CD2-CB 3.69Å; Y16-A202 HydrophobicContact CE2-CB 3.49Å; Y16-A202 VanDerWaalsContact CE2-CB 3.49Å; F189-A202 HydrophobicContact CB-CB 4.3Å; F189-A202 PolarHBondContact N-O 3.07Å; R190-A202 PolarHBondContact O-N 2.72Å; L192-A202 HydrophobicContact CD1-CB 4.22Å; L192-A202 HydrophobicContact CD2-CB 4.3Å; L192-A202 HydrophobicContact CG-CB 4.35Å; A202-M211 HydrophobicContact CB-CE 4.48Å; A202-Y212 WeakPolarHBondContact CA-O 3.44Å
203V96.4Very high91.2Very high2 Ų227 Ų271%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-131.4155.9177-60.20000111F186 Y187 E188 M211 Y212 C214 V262F186-V203 HydrophobicContact CB-CB 4.25Å; F186-V203 HydrophobicContact CD1-CB 4.42Å; F186-V203 HydrophobicContact CD1-CG2 4.09Å; Y187-V203 CarbonylContact O-C 3.53Å; Y187-V203 WeakPolarHBondContact O-CA 3.47Å; Y187-V203 WeakPolarHBondContact O-CB 3.45Å; E188-V203 HydrophobicContact CB-CG1 4.39Å; E188-V203 HydrophobicContact CG-CG1 4.42Å; V203-M211 CarbonylContact O-C 3.58Å; V203-M211 WeakPolarHBondContact O-CA 3.49Å; V203-Y212 PolarHBondContact N-O 3.46Å; V203-Y212 PolarHBondContact O-N 3.45Å; V203-C214 HydrophobicContact CB-CB 4.39Å; V203-C214 HydrophobicContact CG1-CB 3.57Å; V203-C214 HydrophobicContact CG2-CB 3.87Å; V203-V262 HydrophobicContact CG2-CG1 4.04Å
204Q95.8Very high91.7Very high21 Ų2125.9 Ų25.910%0.09816%0.155CC..EExtended strand (participates in β ladder)trans-124.8131.1174.2-169.6176.549.100110.3A19 F186 Y187 F189 K206 G209 Q210 M211A19-Q204 PolarHBondContact O-NE2 3.36Å; F186-Q204 CarbonylContact C-O 3.29Å; F186-Q204 VanDerWaalsContact CA-O 3.26Å; F186-Q204 WeakPolarHBondContact CA-O 3.46Å; Y187-Q204 PolarHBondContact N-O 2.88Å; Y187-Q204 PolarHBondContact O-N 2.84Å; F189-Q204 HydrophobicContact CE2-CB 3.56Å; F189-Q204 HydrophobicContact CZ-CB 4.24Å; Q204-K206 PolarHBondContact O-N 3.21Å; Q204-G209 VanDerWaalsContact CG-O 3.3Å; Q204-G209 WeakPolarHBondContact CG-O 3.42Å; Q204-G209 PolarHBondContact NE2-O 2.98Å; Q204-Q210 CarbonylContact C-O 3.54Å; Q204-Q210 VanDerWaalsContact CA-O 3.31Å; Q204-Q210 WeakPolarHBondContact CA-O 3.44Å; Q204-M211 HydrophobicContact CB-SD 3.58Å; Q204-M211 VanDerWaalsContact CB-SD 3.58Å; Q204-M211 HydrophobicContact CG-SD 3.73Å
205V95.3Very high92.3Very high0 Ų024.1 Ų24.10%015%0.147CC..EExtended strand (participates in β ladder)trans-68125.2171172.30000109.2Y185 F186 N207 T208 G209 Q210 Y212 Y251 E523Y185-V205 HydrophobicContact CD1-CG1 3.93Å; Y185-V205 HydrophobicContact CD1-CG2 4.39Å; Y185-V205 HydrophobicContact CE1-CB 4.36Å; Y185-V205 HydrophobicContact CE1-CG1 3.34Å; Y185-V205 HydrophobicContact CE1-CG2 4.19Å; F186-V205 HydrophobicContact CD1-CG2 3.89Å; F186-V205 HydrophobicContact CE1-CG2 3.56Å; V205-N207 VanDerWaalsContact C-N 3.3Å; V205-N207 PolarHBondContact O-N 3.48Å; V205-T208 WeakPolarHBondContact CB-OG1 3.31Å; V205-T208 HydrophobicContact CG1-CG2 4.05Å; V205-T208 WeakPolarHBondContact CG1-OG1 3.25Å; V205-G209 WeakPolarHBondContact O-CA 3.4Å; V205-G209 PolarHBondContact O-N 3.37Å; V205-Q210 PolarHBondContact N-O 2.86Å; V205-Y212 HydrophobicContact CG2-CD2 3.98Å; V205-Y212 HydrophobicContact CG2-CE2 3.89Å; V205-Y251 HydrophobicContact CG2-CE2 3.88Å; V205-E523 WeakPolarHBondContact CG1-OE1 3.38Å; V205-E523 WeakPolarHBondContact CG2-OE1 3.48Å
206K91.6Very high93.1Very high55 Ų5523.4 Ų23.424%0.23913%0.131CC..THydrogen-bonded Turntrans-63.7-33.8-171.5-62.8-168178.5164.10114.2R30 K184 Y185 F186 Y187 Q204R30-K206 PolarHBondContact NH1-O 3.42Å; K184-K206 WeakPolarHBondContact O-CD 3.5Å; K184-K206 WeakPolarHBondContact O-CE 3.38Å; K184-K206 PolarHBondContact O-NZ 3.29Å; Y185-K206 WeakPolarHBondContact O-CG 3.39Å; Y185-K206 PolarHBondContact O-N 3.14Å; Y185-K206 VanDerWaalsContact O-N 3.1Å; F186-K206 VanDerWaalsContact C-CE 3.47Å; F186-K206 WeakPolarHBondContact O-CE 3Å; Y187-K206 HydrophobicContact CD2-CB 4.43Å; Y187-K206 HydrophobicContact CD2-CD 4.3Å; Y187-K206 HydrophobicContact CD2-CG 3.64Å; Y187-K206 HydrophobicContact CE1-CD 4.15Å; Y187-K206 HydrophobicContact CE2-CB 3.96Å; Y187-K206 HydrophobicContact CE2-CD 3.78Å; Y187-K206 HydrophobicContact CE2-CG 3.41Å; Y187-K206 VanDerWaalsContact CE2-CG 3.41Å; Y187-K206 HydrophobicContact CG-CG 4.26Å; Q204-K206 PolarHBondContact O-N 3.21Å
207N90.2Very high93.9Very high34 Ų3421.5 Ų21.518%0.18211%0.111CC..THydrogen-bonded Turntrans-90.6-27.7-171.7-69.2-8000113.1M27 R31 L34 V205M27-N207 WeakPolarHBondContact CE-O 3.5Å; R31-N207 PolarHBondContact NE-O 3.41Å; L34-N207 HydrophobicContact CD1-CB 4.06Å; V205-N207 VanDerWaalsContact C-N 3.3Å; V205-N207 PolarHBondContact O-N 3.48Å
208T92.2Very high94.4Very high7 Ų720.6 Ų20.64%0.04311%0.11CC..THydrogen-bonded Turntrans-105.1-25.7-177.764.30000112.3M27 R31 V205 Q210 E523 M524 L529M27-T208 WeakPolarHBondContact CE-O 3.44Å; R31-T208 PolarHBondContact NH2-O 3.05Å; V205-T208 WeakPolarHBondContact CB-OG1 3.31Å; V205-T208 HydrophobicContact CG1-CG2 4.05Å; V205-T208 WeakPolarHBondContact CG1-OG1 3.25Å; T208-Q210 WeakPolarHBondContact OG1-CB 3.23Å; T208-Q210 PolarHBondContact OG1-N 3.42Å; T208-E523 VanDerWaalsContact CB-OE1 3.23Å; T208-E523 WeakPolarHBondContact CB-OE1 3.4Å; T208-E523 HydrophobicContact CG2-CG 4.12Å; T208-E523 WeakPolarHBondContact CG2-OE1 3.42Å; T208-E523 PolarHBondContact OG1-OE1 3.27Å; T208-M524 HydrophobicContact CG2-CE 3.54Å; T208-M524 HydrophobicContact CG2-SD 4.2Å; T208-L529 HydrophobicContact CG2-CD2 3.83Å
209G92.2Very high94.7Very high19 Ų1920.7 Ų20.720%0.19611%0.108CC..  trans79.40.5-173.100000112.8Q204 V205 M211Q204-G209 VanDerWaalsContact CG-O 3.3Å; Q204-G209 WeakPolarHBondContact CG-O 3.42Å; Q204-G209 PolarHBondContact NE2-O 2.98Å; V205-G209 WeakPolarHBondContact O-CA 3.4Å; V205-G209 PolarHBondContact O-N 3.37Å; G209-M211 PolarHBondContact O-N 3.28Å
210Q94.6Very high94.9Very high62 Ų6222.3 Ų22.329%0.2911%0.114SC..  trans-66.6130.8-177.6-177.556.549.800111.1Q204 V205 T208 Y212 E523 T527Q204-Q210 CarbonylContact C-O 3.54Å; Q204-Q210 VanDerWaalsContact CA-O 3.31Å; Q204-Q210 WeakPolarHBondContact CA-O 3.44Å; V205-Q210 PolarHBondContact N-O 2.86Å; T208-Q210 WeakPolarHBondContact OG1-CB 3.23Å; T208-Q210 PolarHBondContact OG1-N 3.42Å; Q210-Y212 HydrophobicContact CB-CE2 3.92Å; Q210-Y212 HydrophobicContact CG-CD2 3.95Å; Q210-Y212 HydrophobicContact CG-CE1 4.26Å; Q210-Y212 HydrophobicContact CG-CE2 3.3Å; Q210-Y212 VanDerWaalsContact CG-CZ 3.49Å; Q210-E523 HydrophobicContact CB-CG 3.68Å; Q210-E523 HydrophobicContact CG-CG 3.88Å; Q210-T527 HydrophobicContact CB-CG2 4.11Å
211M94.6Very high95Very high18 Ų1821.9 Ų21.99%0.08911%0.109CC..EExtended strand (participates in β ladder)trans-88.9138.5177-65.3-67.3-66.700110.9Y16 A19 Q20 F189 A202 V203 Q204 G209 L265Y16-M211 HydrophobicContact CD2-CE 3.92Å; Y16-M211 HydrophobicContact CE2-CE 3.87Å; A19-M211 HydrophobicContact CB-CE 4.24Å; A19-M211 HydrophobicContact CB-SD 4.02Å; Q20-M211 HydrophobicContact CG-CE 4.39Å; Q20-M211 HydrophobicContact CG-CG 4.44Å; F189-M211 HydrophobicContact CD2-CE 4.32Å; F189-M211 HydrophobicContact CE2-SD 4.49Å; A202-M211 HydrophobicContact CB-CE 4.48Å; V203-M211 CarbonylContact O-C 3.58Å; V203-M211 WeakPolarHBondContact O-CA 3.49Å; Q204-M211 HydrophobicContact CB-SD 3.58Å; Q204-M211 VanDerWaalsContact CB-SD 3.58Å; Q204-M211 HydrophobicContact CG-SD 3.73Å; G209-M211 PolarHBondContact O-N 3.28Å; M211-L265 HydrophobicContact CB-CD2 3.76Å; M211-L265 HydrophobicContact CE-CD2 4.36Å
212Y97.3Very high95Very high17 Ų1722 Ų227%0.06711%0.109CC..EExtended strand (participates in β ladder)trans-140168.7177.9-71.8-71.6000111.7A202 V203 V205 Q210 A250 Y251 V262 M263 E523A202-Y212 WeakPolarHBondContact CA-O 3.44Å; V203-Y212 PolarHBondContact N-O 3.46Å; V203-Y212 PolarHBondContact O-N 3.45Å; V205-Y212 HydrophobicContact CG2-CD2 3.98Å; V205-Y212 HydrophobicContact CG2-CE2 3.89Å; Q210-Y212 HydrophobicContact CB-CE2 3.92Å; Q210-Y212 HydrophobicContact CG-CD2 3.95Å; Q210-Y212 HydrophobicContact CG-CE1 4.26Å; Q210-Y212 HydrophobicContact CG-CE2 3.3Å; Q210-Y212 VanDerWaalsContact CG-CZ 3.49Å; Y212-A250 HydrophobicContact CD1-CB 4.33Å; Y212-A250 HydrophobicContact CE1-CB 3.64Å; Y212-A250 HydrophobicContact CE2-CB 4.28Å; Y212-Y251 HydrophobicContact CD2-CE2 4.41Å; Y212-Y251 AromaticContact CE2-CE2 3.88Å; Y212-Y251 HydrophobicContact CE2-CE2 3.88Å; Y212-V262 HydrophobicContact CD1-CG1 4.33Å; Y212-V262 HydrophobicContact CD2-CG1 3.89Å; Y212-V262 HydrophobicContact CG-CG1 3.63Å; Y212-M263 WeakPolarHBondContact CB-O 3.3Å; Y212-M263 WeakPolarHBondContact CD1-O 3.3Å; Y212-E523 WeakPolarHBondContact CE2-OE2 3.38Å; Y212-E523 VanDerWaalsContact CZ-OE2 3.23Å; Y212-E523 PolarHBondContact OH-OE2 2.89Å
213A96.9Very high95Very high7 Ų724.5 Ų24.56%0.05812%0.12CC..EExtended strand (participates in β ladder)trans-99.5135.3162.700000109.4L192 V200 C201 V262 M263 L265L192-A213 HydrophobicContact CD1-CB 4.2Å; V200-A213 HydrophobicContact CG1-CB 3.93Å; C201-A213 CarbonylContact O-C 3.58Å; C201-A213 WeakPolarHBondContact O-CA 3.16Å; A213-V262 CarbonylContact O-C 3.57Å; A213-V262 WeakPolarHBondContact O-CA 3.33Å; A213-M263 HydrophobicContact CB-CG 4.13Å; A213-M263 PolarHBondContact N-O 3.25Å; A213-M263 WeakPolarHBondContact O-CG 3.28Å; A213-M263 PolarHBondContact O-N 3.44Å; A213-L265 HydrophobicContact CB-CD1 4.08Å
214C97.6Very high94.9Very high0 Ų031.4 Ų31.40%015%0.15CC..EExtended strand (participates in β ladder)trans-112.4107.6176.3-1760000109.6V200 C201 V203 K216 L261 V262V200-C214 VanDerWaalsContact CA-O 3.31Å; V200-C214 WeakPolarHBondContact CA-O 3.39Å; C201-C214 PolarHBondContact N-O 3.26Å; C201-C214 PolarHBondContact O-N 3.45Å; V203-C214 HydrophobicContact CB-CB 4.39Å; V203-C214 HydrophobicContact CG1-CB 3.57Å; V203-C214 HydrophobicContact CG2-CB 3.87Å; C214-K216 PolarHBondContact O-N 3.14Å; C214-L261 CarbonylContact C-O 3.58Å; C214-L261 WeakPolarHBondContact CA-O 3.5Å; C214-V262 HydrophobicContact CB-CG2 4.42Å
215K96.5Very high94.7Very high36 Ų3636.1 Ų36.116%0.15717%0.17CC..EExtended strand (participates in β ladder)trans-80.4106.6171.5-174178.1-171.6-177.10108.2V200 L217 E234 C260 L261 M263 D335V200-K215 HydrophobicContact CG2-CB 4.14Å; V200-K215 HydrophobicContact CG2-CG 4.1Å; K215-L217 HydrophobicContact CD-CD2 4.44Å; K215-L217 HydrophobicContact CG-CD2 4.11Å; K215-E234 IonicContact NZ-OE1 2.67Å; K215-E234 PolarHBondContact NZ-OE1 3.4Å; K215-E234 IonicContact NZ-OE2 2.72Å; K215-E234 PolarHBondContact NZ-OE2 3.3Å; K215-C260 WeakPolarHBondContact O-CA 3.46Å; K215-L261 HydrophobicContact CB-CB 4.32Å; K215-L261 PolarHBondContact N-O 3.45Å; K215-L261 PolarHBondContact O-N 3.25Å; K215-M263 HydrophobicContact CB-CE 3.56Å; K215-M263 HydrophobicContact CD-CE 4.03Å; K215-M263 HydrophobicContact CG-CE 4.45Å; K215-D335 IonicContact NZ-OD1 3.36Å; K215-D335 PolarHBondContact NZ-OD1 3.27Å; K215-D335 VanDerWaalsContact NZ-OD1 3.13Å
216K96.6Very high94.7Very high28 Ų2838.7 Ų38.712%0.12220%0.197CC..EExtended strand (participates in β ladder)trans-96.5111.2179.8-68.9179.6162-177.20110.3E188 G198 E199 C214 H258 L259E188-K216 IonicContact OE1-NZ 2.66Å; E188-K216 PolarHBondContact OE1-NZ 3.04Å; E188-K216 IonicContact OE2-NZ 3.51Å; E188-K216 PolarHBondContact OE2-NZ 3.26Å; G198-K216 CarbonylContact C-O 3.53Å; G198-K216 VanDerWaalsContact CA-O 3.26Å; G198-K216 WeakPolarHBondContact CA-O 3.45Å; E199-K216 HydrophobicContact CG-CB 4.43Å; E199-K216 PolarHBondContact N-O 3.42Å; E199-K216 VanDerWaalsContact N-O 3.08Å; E199-K216 PolarHBondContact O-N 3.5Å; C214-K216 PolarHBondContact O-N 3.14Å; K216-H258 HydrophobicContact CB-CB 4.4Å; K216-L259 CarbonylContact C-O 3.36Å; K216-L259 WeakPolarHBondContact CA-O 3.43Å
217L95.9Very high94.7Very high6 Ų636.2 Ų36.23%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-96.4117.9177.4-51.4173.7000109.5F197 K215 K219 L222 A231 H258 L259 F511F197-L217 HydrophobicContact CB-CD2 3.85Å; K215-L217 HydrophobicContact CD-CD2 4.44Å; K215-L217 HydrophobicContact CG-CD2 4.11Å; L217-K219 PolarHBondContact O-N 3.49Å; L217-L222 HydrophobicContact CB-CD1 4.45Å; L217-A231 HydrophobicContact CD1-CB 3.77Å; L217-H258 CarbonylContact O-C 3.43Å; L217-H258 WeakPolarHBondContact O-CA 3.45Å; L217-L259 HydrophobicContact CB-CB 4.28Å; L217-L259 PolarHBondContact N-O 3.42Å; L217-L259 PolarHBondContact O-N 2.96Å; L217-F511 HydrophobicContact CD1-CZ 4.45Å
218C95.9Very high94.9Very high29 Ų2936.9 Ų36.920%0.19619%0.189CC..EExtended strand (participates in β ladder)trans-68.8118.7179.6173.10000110.6F197 K220 R221 L222F197-C218 PolarHBondContact O-N 2.92Å; C218-K220 VanDerWaalsContact C-N 3.34Å; C218-K220 PolarHBondContact O-N 2.93Å; C218-R221 HydrophobicContact CB-CB 3.78Å; C218-R221 WeakPolarHBondContact O-CB 3.48Å; C218-R221 PolarHBondContact O-N 3.12Å; C218-L222 PolarHBondContact O-N 2.86Å
219K96.4Very high94.9Very high11 Ų1144.3 Ų44.35%0.04822%0.22CC..Hα-helixtrans-56.1-45.1-176.1-72.5177.4166.9-178.30112.7L217 R221 L222 K223 D254 T255 T257 L259 F500 F508L217-K219 PolarHBondContact O-N 3.49Å; K219-R221 VanDerWaalsContact C-N 3.32Å; K219-R221 PolarHBondContact O-N 3.47Å; K219-L222 WeakPolarHBondContact O-CB 3.44Å; K219-L222 PolarHBondContact O-N 2.98Å; K219-K223 PolarHBondContact O-N 3.34Å; K219-D254 IonicContact NZ-OD2 2.64Å; K219-D254 PolarHBondContact NZ-OD2 3.5Å; K219-T255 WeakPolarHBondContact CE-O 3.23Å; K219-T255 PolarHBondContact NZ-O 3.35Å; K219-T257 PolarHBondContact N-O 3.36Å; K219-L259 HydrophobicContact CG-CD2 4.39Å; K219-L259 HydrophobicContact CG-CG 4.13Å; K219-F500 HydrophobicContact CB-CE1 3.95Å; K219-F500 HydrophobicContact CB-CE2 4.29Å; K219-F500 HydrophobicContact CB-CZ 3.47Å; K219-F500 VanDerWaalsContact CB-CZ 3.47Å; K219-F508 HydrophobicContact CB-CE1 4.14Å; K219-F508 HydrophobicContact CB-CZ 3.97Å; K219-F508 HydrophobicContact CD-CD1 4.13Å; K219-F508 HydrophobicContact CD-CD2 4.14Å; K219-F508 HydrophobicContact CD-CE1 3.8Å; K219-F508 HydrophobicContact CD-CE2 3.83Å; K219-F508 HydrophobicContact CD-CG 4.29Å; K219-F508 HydrophobicContact CD-CZ 3.64Å; K219-F508 HydrophobicContact CG-CD1 4.31Å; K219-F508 HydrophobicContact CG-CE1 3.73Å; K219-F508 HydrophobicContact CG-CZ 3.88Å
220K95.4Very high94.9Very high79 Ų7947.1 Ų47.134%0.34323%0.229SC..Hα-helixtrans-63.7-37.2177.8-68.5-173.9174.1175.80112.4C218 K224 I495 I498 F500C218-K220 VanDerWaalsContact C-N 3.34Å; C218-K220 PolarHBondContact O-N 2.93Å; K220-K224 WeakPolarHBondContact O-CB 3.46Å; K220-K224 PolarHBondContact O-N 2.99Å; K220-I495 HydrophobicContact CB-CB 4.18Å; K220-I495 HydrophobicContact CB-CG2 4Å; K220-I495 WeakPolarHBondContact CD-O 3.34Å; K220-I498 HydrophobicContact CB-CB 4.22Å; K220-I498 HydrophobicContact CB-CG2 4.29Å; K220-I498 HydrophobicContact CD-CB 4.36Å; K220-I498 HydrophobicContact CG-CB 4.11Å; K220-I498 HydrophobicContact CG-CG2 4.2Å; K220-F500 HydrophobicContact CG-CE1 4.34Å; K220-F500 HydrophobicContact CG-CE2 4.39Å; K220-F500 HydrophobicContact CG-CZ 3.67Å
221R94.5Very high94.9Very high29 Ų2944.4 Ų44.411%0.10922%0.217CC..Hα-helixtrans-70.8-39.5178.6-171.8171.4-74.2-120.4-6.8111.7G196 C218 K219 K225 F492 S493 I495G196-R221 WeakPolarHBondContact O-CD 3.28Å; C218-R221 HydrophobicContact CB-CB 3.78Å; C218-R221 WeakPolarHBondContact O-CB 3.48Å; C218-R221 PolarHBondContact O-N 3.12Å; K219-R221 VanDerWaalsContact C-N 3.32Å; K219-R221 PolarHBondContact O-N 3.47Å; R221-K225 HydrophobicContact CG-CD 4.33Å; R221-K225 WeakPolarHBondContact O-CB 3.35Å; R221-K225 WeakPolarHBondContact O-CG 3.14Å; R221-K225 PolarHBondContact O-N 3.08Å; R221-F492 VanDerWaalsContact NH1-CE1 3.3Å; R221-S493 PolarHBondContact NH2-O 3.07Å; R221-I495 HydrophobicContact CB-CD1 3.46Å; R221-I495 VanDerWaalsContact CB-CD1 3.46Å; R221-I495 HydrophobicContact CG-CD1 3.79Å
222L94.2Very high94.9Very high1 Ų144.7 Ų44.71%0.00522%0.219CC..Hα-helixtrans-58.9-53.4175.1-153.986.8000110.2F197 L217 C218 K219 K224 K225 G226 G227 E228 A231 L259 F507F197-L222 HydrophobicContact CB-CD1 4.39Å; F197-L222 HydrophobicContact CD1-CD1 3.96Å; F197-L222 HydrophobicContact CE1-CD1 4.46Å; F197-L222 HydrophobicContact CG-CD1 4.18Å; L217-L222 HydrophobicContact CB-CD1 4.45Å; C218-L222 PolarHBondContact O-N 2.86Å; K219-L222 WeakPolarHBondContact O-CB 3.44Å; K219-L222 PolarHBondContact O-N 2.98Å; L222-K224 PolarHBondContact O-N 3.25Å; L222-K225 CarbonylContact O-C 3.58Å; L222-K225 PolarHBondContact O-N 3.28Å; L222-K225 VanDerWaalsContact O-N 3.14Å; L222-G226 PolarHBondContact O-N 3.49Å; L222-G227 PolarHBondContact O-N 3.39Å; L222-E228 HydrophobicContact CD2-CB 4.34Å; L222-E228 HydrophobicContact CD2-CG 4.07Å; L222-A231 HydrophobicContact CD1-CB 3.92Å; L222-A231 HydrophobicContact CD2-CB 4.16Å; L222-L259 HydrophobicContact CD2-CD1 4.02Å; L222-F507 HydrophobicContact CD2-CE1 3.43Å; L222-F507 VanDerWaalsContact CD2-CE1 3.43Å; L222-F507 HydrophobicContact CD2-CZ 3.47Å; L222-F507 VanDerWaalsContact CD2-CZ 3.47Å
223K95.2Very high94.7Very high54 Ų5446.9 Ų46.924%0.23523%0.232CC..Hα-helixtrans-59.3-47.3178.2-175.9166.1-173.1171.10112.8K219 K225 G226 E228 I498 E499 F500 D501 D504K219-K223 PolarHBondContact O-N 3.34Å; K223-K225 PolarHBondContact O-N 3.04Å; K223-K225 VanDerWaalsContact O-N 3.14Å; K223-G226 PolarHBondContact O-N 3.36Å; K223-E228 WeakPolarHBondContact CA-OE1 3.34Å; K223-I498 HydrophobicContact CB-CG2 4.22Å; K223-I498 HydrophobicContact CD-CG2 3.85Å; K223-I498 HydrophobicContact CG-CG2 4.2Å; K223-E499 PolarHBondContact NZ-O 2.87Å; K223-F500 HydrophobicContact CD-CD1 4.17Å; K223-F500 HydrophobicContact CD-CE1 4.48Å; K223-D501 IonicContact NZ-OD2 2.65Å; K223-D501 PolarHBondContact NZ-OD2 3.44Å; K223-D504 WeakPolarHBondContact CE-OD2 3.43Å; K223-D504 IonicContact NZ-OD1 3.05Å; K223-D504 IonicContact NZ-OD2 3.49Å; K223-D504 PolarHBondContact NZ-OD2 2.62Å
224K93.9Very high94.6Very high147 Ų14747.1 Ų47.164%0.63923%0.231SC*.Hα-helixtrans-57.8-30.6178.3-177.9174179.3176.60113.1K220 L222 I495 I498K220-K224 WeakPolarHBondContact O-CB 3.46Å; K220-K224 PolarHBondContact O-N 2.99Å; L222-K224 PolarHBondContact O-N 3.25Å; K224-I495 HydrophobicContact CD-CD1 4.3Å; K224-I495 HydrophobicContact CD-CG2 4.13Å; K224-I498 HydrophobicContact CB-CD1 4.33Å
225K92.6Very high94.6Very high120 Ų12047.4 Ų47.452%0.52223%0.233SC..Hα-helixtrans-102.3-1.4-175.6-71.7-175174.5-171.90113.9G196 F197 R221 L222 K223 G227G196-K225 PolarHBondContact O-NZ 2.99Å; F197-K225 HydrophobicContact CD1-CD 4.06Å; F197-K225 HydrophobicContact CE1-CB 3.77Å; F197-K225 HydrophobicContact CE1-CD 3.69Å; F197-K225 HydrophobicContact CE1-CG 4.38Å; R221-K225 HydrophobicContact CG-CD 4.33Å; R221-K225 WeakPolarHBondContact O-CB 3.35Å; R221-K225 WeakPolarHBondContact O-CG 3.14Å; R221-K225 PolarHBondContact O-N 3.08Å; L222-K225 CarbonylContact O-C 3.58Å; L222-K225 PolarHBondContact O-N 3.28Å; L222-K225 VanDerWaalsContact O-N 3.14Å; K223-K225 PolarHBondContact O-N 3.04Å; K223-K225 VanDerWaalsContact O-N 3.14Å; K225-G227 VanDerWaalsContact C-N 3.29Å; K225-G227 PolarHBondContact O-N 2.91Å
226G93.6Very high94.6Very high54 Ų5449 Ų4956%0.55724%0.241SC*.THydrogen-bonded Turntrans63.733.4-173.700000113.3L222 K223 E228L222-G226 PolarHBondContact O-N 3.49Å; K223-G226 PolarHBondContact O-N 3.36Å; G226-E228 WeakPolarHBondContact CA-OE2 3.43Å
227G93.2Very high94.6Very high3 Ų347.9 Ų47.93%0.03124%0.236CC..  trans-86.50.1-173.800000115.6L222 K225 K229 M230 A231L222-G227 PolarHBondContact O-N 3.39Å; K225-G227 VanDerWaalsContact C-N 3.29Å; K225-G227 PolarHBondContact O-N 2.91Å; G227-K229 PolarHBondContact O-N 3.2Å; G227-M230 PolarHBondContact O-N 3.15Å; G227-A231 PolarHBondContact O-N 3Å
228E93.8Very high94.7Very high48 Ų4847.7 Ų47.722%0.22424%0.235CC..Hα-helixtrans-58.4-51.3-171.8-60.287.6154.900111.8L222 K223 G226 M230 A231 L232 F507L222-E228 HydrophobicContact CD2-CB 4.34Å; L222-E228 HydrophobicContact CD2-CG 4.07Å; K223-E228 WeakPolarHBondContact CA-OE1 3.34Å; G226-E228 WeakPolarHBondContact CA-OE2 3.43Å; E228-M230 VanDerWaalsContact C-N 3.3Å; E228-M230 PolarHBondContact O-N 3.41Å; E228-A231 PolarHBondContact O-N 3.3Å; E228-L232 WeakPolarHBondContact O-CB 3.27Å; E228-L232 PolarHBondContact O-N 3.17Å; E228-F507 HydrophobicContact CB-CD1 4.32Å; E228-F507 HydrophobicContact CB-CD2 4.46Å; E228-F507 HydrophobicContact CB-CE1 4.08Å; E228-F507 HydrophobicContact CB-CE2 4.24Å; E228-F507 HydrophobicContact CB-CZ 4.04Å; E228-F507 HydrophobicContact CG-CD1 4.09Å; E228-F507 HydrophobicContact CG-CE1 3.93Å; E228-F507 HydrophobicContact CG-CZ 4.39Å
229K91.9Very high94.7Very high162 Ų16249.3 Ų49.370%0.70424%0.24SC*.Hα-helixtrans-62.5-38.4179.8-174.9177.6179.6178.90111.9G227 L233G227-K229 PolarHBondContact O-N 3.2Å; K229-L233 HydrophobicContact CG-CD1 4.07Å; K229-L233 HydrophobicContact CG-CG 4.48Å; K229-L233 WeakPolarHBondContact O-CB 3.35Å; K229-L233 VanDerWaalsContact O-CG 3.25Å; K229-L233 WeakPolarHBondContact O-CG 3.34Å; K229-L233 PolarHBondContact O-N 2.98Å
230M91.6Very high94.6Very high78 Ų7854 Ų5438%0.38426%0.26SS..Hα-helixtrans-66.4-46.6178.8-177.4-173-70.800111F197 G227 E228 L232 L233 E234 G337F197-M230 HydrophobicContact CE2-SD 3.82Å; F197-M230 HydrophobicContact CZ-SD 4.25Å; G227-M230 PolarHBondContact O-N 3.15Å; E228-M230 VanDerWaalsContact C-N 3.3Å; E228-M230 PolarHBondContact O-N 3.41Å; M230-L232 VanDerWaalsContact C-N 3.34Å; M230-L232 PolarHBondContact O-N 2.87Å; M230-L233 PolarHBondContact O-N 3.41Å; M230-E234 WeakPolarHBondContact O-CB 3.08Å; M230-E234 PolarHBondContact O-N 3.19Å; M230-G337 VanDerWaalsContact CG-O 3.32Å; M230-G337 WeakPolarHBondContact CG-O 3.44Å
231A94.7Very high94.6Very high5 Ų550.5 Ų50.54%0.04125%0.245CC..Hα-helixtrans-63.2-39.9177.800000112.2L217 L222 G227 E228 K235 F511L217-A231 HydrophobicContact CD1-CB 3.77Å; L222-A231 HydrophobicContact CD1-CB 3.92Å; L222-A231 HydrophobicContact CD2-CB 4.16Å; G227-A231 PolarHBondContact O-N 3Å; E228-A231 PolarHBondContact O-N 3.3Å; A231-K235 WeakPolarHBondContact O-CB 3.37Å; A231-K235 PolarHBondContact O-N 3.38Å; A231-F511 HydrophobicContact CB-CE2 4.36Å
232L94.9Very high94.6Very high25 Ų2552.4 Ų52.413%0.13126%0.258CS..Hα-helixtrans-66.3-43.8177.1-169.662.2000111.9E228 M230 K235 Q236 F507 E510E228-L232 WeakPolarHBondContact O-CB 3.27Å; E228-L232 PolarHBondContact O-N 3.17Å; M230-L232 VanDerWaalsContact C-N 3.34Å; M230-L232 PolarHBondContact O-N 2.87Å; L232-K235 PolarHBondContact O-N 3.25Å; L232-Q236 HydrophobicContact CG-CG 4.5Å; L232-Q236 WeakPolarHBondContact O-CB 3.48Å; L232-Q236 VanDerWaalsContact O-CG 3.27Å; L232-Q236 WeakPolarHBondContact O-CG 3.32Å; L232-Q236 PolarHBondContact O-N 3.19Å; L232-F507 HydrophobicContact CB-CE2 4.13Å; L232-E510 HydrophobicContact CD1-CG 4.2Å
233L93.6Very high94.6Very high63 Ų6353 Ų5333%0.3326%0.262SS..Hα-helixtrans-62.7-45176.3-76.3171.2000111.8K229 M230 K235 Q236 I237K229-L233 HydrophobicContact CG-CD1 4.07Å; K229-L233 HydrophobicContact CG-CG 4.48Å; K229-L233 WeakPolarHBondContact O-CB 3.35Å; K229-L233 VanDerWaalsContact O-CG 3.25Å; K229-L233 WeakPolarHBondContact O-CG 3.34Å; K229-L233 PolarHBondContact O-N 2.98Å; M230-L233 PolarHBondContact O-N 3.41Å; L233-K235 VanDerWaalsContact C-N 3.31Å; L233-K235 PolarHBondContact O-N 2.98Å; L233-Q236 PolarHBondContact O-N 2.96Å; L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 3.32Å
234E95.3Very high94.7Very high11 Ų1154.2 Ų54.25%0.05127%0.271CS..Hα-helixtrans-56.2-49.1175.7-175.9175.8-164.100110.6K215 M230 I237 L238 L336K215-E234 IonicContact NZ-OE1 2.67Å; K215-E234 PolarHBondContact NZ-OE1 3.4Å; K215-E234 IonicContact NZ-OE2 2.72Å; K215-E234 PolarHBondContact NZ-OE2 3.3Å; M230-E234 WeakPolarHBondContact O-CB 3.08Å; M230-E234 PolarHBondContact O-N 3.19Å; E234-I237 PolarHBondContact O-N 2.74Å; E234-L238 HydrophobicContact CG-CD1 3.91Å; E234-L238 VanDerWaalsContact O-CB 3.32Å; E234-L238 WeakPolarHBondContact O-CB 3.23Å; E234-L238 VanDerWaalsContact O-CG 3.31Å; E234-L238 WeakPolarHBondContact O-CG 3.15Å; E234-L238 PolarHBondContact O-N 2.85Å; E234-L336 HydrophobicContact CG-CB 4.29Å
235K96.9Very high94.9Very high6 Ų647.7 Ų47.73%0.02624%0.243CC..Hα-helixtrans-59.8-48178-178.9-91.4-178.4-179.90111.9A231 L232 L233 I237 L238 E239 L249 A252 L261 F511 T513A231-K235 WeakPolarHBondContact O-CB 3.37Å; A231-K235 PolarHBondContact O-N 3.38Å; L232-K235 PolarHBondContact O-N 3.25Å; L233-K235 VanDerWaalsContact C-N 3.31Å; L233-K235 PolarHBondContact O-N 2.98Å; K235-I237 VanDerWaalsContact C-N 3.35Å; K235-I237 PolarHBondContact O-N 3.46Å; K235-L238 PolarHBondContact O-N 3.02Å; K235-E239 HydrophobicContact CD-CG 4.34Å; K235-E239 WeakPolarHBondContact CE-OE1 3.46Å; K235-E239 VanDerWaalsContact CE-OE2 3.23Å; K235-E239 WeakPolarHBondContact CE-OE2 3.35Å; K235-E239 IonicContact NZ-OE1 3.42Å; K235-E239 PolarHBondContact NZ-OE1 3.21Å; K235-E239 IonicContact NZ-OE2 2.9Å; K235-E239 PolarHBondContact NZ-OE2 3.13Å; K235-E239 WeakPolarHBondContact O-CG 3.47Å; K235-E239 PolarHBondContact O-N 3.36Å; K235-L249 HydrophobicContact CG-CD2 4.42Å; K235-A252 HydrophobicContact CG-CB 4.26Å; K235-L261 HydrophobicContact CB-CD2 3.93Å; K235-L261 HydrophobicContact CG-CD2 3.7Å; K235-F511 HydrophobicContact CB-CD2 4.25Å; K235-F511 HydrophobicContact CB-CE2 3.83Å; K235-F511 HydrophobicContact CB-CZ 4.35Å; K235-F511 VanDerWaalsContact CE-O 3.22Å; K235-F511 WeakPolarHBondContact CE-O 3.31Å; K235-F511 HydrophobicContact CG-CD2 4.31Å; K235-F511 HydrophobicContact CG-CE2 4.11Å; K235-F511 HydrophobicContact CG-CZ 4.35Å; K235-T513 WeakPolarHBondContact CE-OG1 3.49Å; K235-T513 PolarHBondContact NZ-OG1 3.26Å
236Q96.8Very high95.1Very high70 Ų7042 Ų4233%0.32722%0.218SC..Hα-helixtrans-63.8-38.8-178.9-75.9173.4-14.800112.4L232 L233 K240L232-Q236 HydrophobicContact CG-CG 4.5Å; L232-Q236 WeakPolarHBondContact O-CB 3.48Å; L232-Q236 VanDerWaalsContact O-CG 3.27Å; L232-Q236 WeakPolarHBondContact O-CG 3.32Å; L232-Q236 PolarHBondContact O-N 3.19Å; L233-Q236 PolarHBondContact O-N 2.96Å; Q236-K240 WeakPolarHBondContact O-CG 3.45Å; Q236-K240 PolarHBondContact O-N 3.49Å
237I97.3Very high95.3Very high4 Ų439.6 Ų39.62%0.02119%0.192CC..Hα-helixtrans-66.3-47.8174.6-69.5173.8000109.6L233 E234 K235 E239 K240 V241 I313 L336 A339L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 3.32Å; E234-I237 PolarHBondContact O-N 2.74Å; K235-I237 VanDerWaalsContact C-N 3.35Å; K235-I237 PolarHBondContact O-N 3.46Å; I237-E239 VanDerWaalsContact C-N 3.26Å; I237-E239 PolarHBondContact O-N 3.37Å; I237-K240 PolarHBondContact O-N 3.13Å; I237-V241 HydrophobicContact CG2-CG1 4.17Å; I237-V241 WeakPolarHBondContact O-CG1 3.46Å; I237-V241 WeakPolarHBondContact O-CG2 3.48Å; I237-V241 PolarHBondContact O-N 2.93Å; I237-V241 VanDerWaalsContact O-N 3.07Å; I237-I313 HydrophobicContact CD1-CG2 4.42Å; I237-I313 HydrophobicContact CG2-CD1 4.11Å; I237-I313 HydrophobicContact CG2-CG2 4.24Å; I237-L336 HydrophobicContact CG2-CB 4.32Å; I237-L336 HydrophobicContact CG2-CD1 3.61Å; I237-L336 HydrophobicContact CG2-CG 4.46Å; I237-A339 HydrophobicContact CD1-CB 3.73Å; I237-A339 WeakPolarHBondContact CD1-O 3.35Å
238L97.2Very high95.5Very high2 Ų240.2 Ų40.21%0.0120%0.195CC..Hα-helixtrans-59.7-31.2179.3-81.2172.7000113.9E234 K235 V247 L249 L261 L336E234-L238 HydrophobicContact CG-CD1 3.91Å; E234-L238 VanDerWaalsContact O-CB 3.32Å; E234-L238 WeakPolarHBondContact O-CB 3.23Å; E234-L238 VanDerWaalsContact O-CG 3.31Å; E234-L238 WeakPolarHBondContact O-CG 3.15Å; E234-L238 PolarHBondContact O-N 2.85Å; K235-L238 PolarHBondContact O-N 3.02Å; L238-V247 HydrophobicContact CD2-CG2 4.25Å; L238-L249 HydrophobicContact CB-CB 3.86Å; L238-L249 HydrophobicContact CB-CD2 4.03Å; L238-L261 HydrophobicContact CD1-CD1 4.11Å; L238-L336 HydrophobicContact CD2-CD1 3.57Å; L238-L336 HydrophobicContact CD2-CG 4.27Å; L238-L336 HydrophobicContact CG-CD1 3.95Å
239E96.6Very high95.7Very high64 Ų6438 Ų3830%0.29918%0.184SC..Hα-helixtrans-72.6-30.6173.9-76.5-177137.400113.8K235 I237 L249 T513 V516K235-E239 HydrophobicContact CD-CG 4.34Å; K235-E239 WeakPolarHBondContact CE-OE1 3.46Å; K235-E239 VanDerWaalsContact CE-OE2 3.23Å; K235-E239 WeakPolarHBondContact CE-OE2 3.35Å; K235-E239 IonicContact NZ-OE1 3.42Å; K235-E239 PolarHBondContact NZ-OE1 3.21Å; K235-E239 IonicContact NZ-OE2 2.9Å; K235-E239 PolarHBondContact NZ-OE2 3.13Å; K235-E239 WeakPolarHBondContact O-CG 3.47Å; K235-E239 PolarHBondContact O-N 3.36Å; I237-E239 VanDerWaalsContact C-N 3.26Å; I237-E239 PolarHBondContact O-N 3.37Å; E239-L249 HydrophobicContact CG-CD2 3.71Å; E239-T513 PolarHBondContact OE1-OG1 2.89Å; E239-V516 HydrophobicContact CG-CG2 4.17Å
240K94.1Very high96Very high109 Ų10930.2 Ų30.247%0.47415%0.151SC..Hα-helixtrans-81.3-37.1-177.8-71178.1-177.6-169.40111.8Q236 I237 M311 E341Q236-K240 WeakPolarHBondContact O-CG 3.45Å; Q236-K240 PolarHBondContact O-N 3.49Å; I237-K240 PolarHBondContact O-N 3.13Å; K240-M311 HydrophobicContact CB-CE 3.76Å; K240-M311 WeakPolarHBondContact O-CE 3.46Å; K240-E341 IonicContact NZ-OE1 2.72Å; K240-E341 IonicContact NZ-OE2 3.06Å; K240-E341 PolarHBondContact NZ-OE2 3.2Å
241V95.1Very high96.4Very high5 Ų526.5 Ų26.53%0.0313%0.132CC..  trans-80.4138.5-174.8-58.70000110.8I237 L246 L308 M311 I313 L336I237-V241 HydrophobicContact CG2-CG1 4.17Å; I237-V241 WeakPolarHBondContact O-CG1 3.46Å; I237-V241 WeakPolarHBondContact O-CG2 3.48Å; I237-V241 PolarHBondContact O-N 2.93Å; I237-V241 VanDerWaalsContact O-N 3.07Å; V241-L246 HydrophobicContact CB-CD1 3.84Å; V241-L246 HydrophobicContact CG1-CD1 4.26Å; V241-L246 HydrophobicContact CG2-CD1 4.13Å; V241-L308 HydrophobicContact CG1-CD2 3.65Å; V241-M311 HydrophobicContact CG1-CE 4.14Å; V241-M311 HydrophobicContact CG1-SD 4.11Å; V241-I313 HydrophobicContact CG1-CD1 3.98Å; V241-L336 HydrophobicContact CG2-CD1 4.19Å
242N93.7Very high96.5Very high70 Ų7026.3 Ų26.337%0.37413%0.13SC..  trans-145.4101.2173.2177.262.9000109.2N248 H307 I518N242-N248 WeakPolarHBondContact CA-OD1 3.37Å; N242-H307 PolarHBondContact N-NE2 3.14Å; N242-H307 PolarHBondContact O-CE1 3.43Å; N242-I518 HydrophobicContact CB-CD1 4.41Å
243S95.5Very high96.7Very high14 Ų1425.5 Ų25.510%0.09813%0.126CC..  trans-146.6147.6-174.5178.60000111.7F245 L246 N248 R332S243-F245 PolarHBondContact O-N 3.42Å; S243-F245 PolarHBondContact OG-N 3.19Å; S243-F245 VanDerWaalsContact OG-N 3.14Å; S243-L246 PolarHBondContact O-N 3.16Å; S243-L246 VanDerWaalsContact O-O 3.09Å; S243-N248 PolarHBondContact N-OD1 2.88Å; S243-N248 VanDerWaalsContact N-OD1 3.11Å; S243-N248 PolarHBondContact O-ND2 3.37Å; S243-N248 PolarHBondContact O-OD1 3.3Å; S243-R332 PolarHBondContact O-NH1 3.21Å
244L95.9Very high96.8Very high79 Ų7925.1 Ų25.141%0.41412%0.124SC..THydrogen-bonded Turntrans-67-15.8170.2-67.8-176.3000112.8R332 E466L244-R332 WeakPolarHBondContact O-CG 3.4Å; L244-R332 PolarHBondContact O-NE 3.25Å; L244-R332 PolarHBondContact O-NH1 2.82Å; L244-R332 VanDerWaalsContact O-NH1 3.12Å; L244-E466 WeakPolarHBondContact CD1-O 3.48Å
245F98.1Very high96.9Very high10 Ų1026 Ų264%0.04413%0.13CC..THydrogen-bonded Turntrans-106.95.4-175.8-49.2-67.9000113.2S243 Q300 T303 R332 L333 L465 E466S243-F245 PolarHBondContact O-N 3.42Å; S243-F245 PolarHBondContact OG-N 3.19Å; S243-F245 VanDerWaalsContact OG-N 3.14Å; F245-Q300 WeakPolarHBondContact CB-O 3.31Å; F245-Q300 HydrophobicContact CD1-CB 3.73Å; F245-Q300 HydrophobicContact CD1-CG 3.94Å; F245-Q300 HydrophobicContact CE1-CB 4.12Å; F245-Q300 HydrophobicContact CE1-CG 3.86Å; F245-T303 HydrophobicContact CD2-CG2 3.43Å; F245-T303 VanDerWaalsContact CD2-CG2 3.43Å; F245-T303 HydrophobicContact CE2-CG2 3.25Å; F245-T303 HydrophobicContact CG-CG2 4.34Å; F245-T303 HydrophobicContact CZ-CG2 4.04Å; F245-R332 CarbonylContact O-C 3.54Å; F245-R332 WeakPolarHBondContact O-CA 3.27Å; F245-L333 PolarHBondContact O-N 3.44Å; F245-L465 HydrophobicContact CE1-CG 4.13Å; F245-L465 HydrophobicContact CZ-CG 4.09Å; F245-L465 WeakPolarHBondContact CZ-O 3.47Å; F245-E466 HydrophobicContact CE2-CG 4.18Å; F245-E466 HydrophobicContact CZ-CG 4.47Å
246L98Very high96.8Very high1 Ų135.2 Ų35.21%0.00517%0.17CC..BIsolated β-bridgetrans-123.3149.9173.9-58.1173.9000108.7V241 S243 N248 L308 R332 L333V241-L246 HydrophobicContact CB-CD1 3.84Å; V241-L246 HydrophobicContact CG1-CD1 4.26Å; V241-L246 HydrophobicContact CG2-CD1 4.13Å; S243-L246 PolarHBondContact O-N 3.16Å; S243-L246 VanDerWaalsContact O-O 3.09Å; L246-N248 PolarHBondContact O-N 3.08Å; L246-L308 HydrophobicContact CD1-CD2 3.68Å; L246-L308 HydrophobicContact CD1-CG 4.01Å; L246-L308 HydrophobicContact CD2-CD1 4.05Å; L246-L308 HydrophobicContact CD2-CD2 4.4Å; L246-L308 HydrophobicContact CD2-CG 4.15Å; L246-R332 WeakPolarHBondContact O-CD 3.38Å; L246-R332 PolarHBondContact O-NH1 2.97Å; L246-L333 HydrophobicContact CD2-CB 3.76Å; L246-L333 HydrophobicContact CD2-CD1 3.97Å; L246-L333 HydrophobicContact CD2-CG 4.29Å
247V97.3Very high96.7Very high3 Ų335.9 Ų35.92%0.01818%0.179CC..PPolyproline II helixtrans-66.7127163.8-61.80000108.6L238 M266 R332 L333L238-V247 HydrophobicContact CD2-CG2 4.25Å; V247-M266 HydrophobicContact CG1-CG 4.01Å; V247-M266 HydrophobicContact CG1-SD 4.45Å; V247-R332 HydrophobicContact CG1-CB 4.32Å; V247-L333 PolarHBondContact N-O 3.16Å
248N97.2Very high96.6Very high15 Ų1537.8 Ų37.88%0.0819%0.188CC..PPolyproline II helixtrans-98.5143.1-179.6-60.9-58.6000109.7N242 S243 L246 M263 T264 P519N242-N248 WeakPolarHBondContact CA-OD1 3.37Å; S243-N248 PolarHBondContact N-OD1 2.88Å; S243-N248 VanDerWaalsContact N-OD1 3.11Å; S243-N248 PolarHBondContact O-ND2 3.37Å; S243-N248 PolarHBondContact O-OD1 3.3Å; L246-N248 PolarHBondContact O-N 3.08Å; N248-M263 CarbonylContact O-C 3.52Å; N248-M263 WeakPolarHBondContact O-CA 3.43Å; N248-M263 WeakPolarHBondContact O-CB 3.14Å; N248-T264 PolarHBondContact N-OG1 2.9Å; N248-T264 PolarHBondContact O-N 3.19Å; N248-T264 PolarHBondContact O-OG1 2.87Å; N248-P519 HydrophobicContact CB-CG 4Å
249L98.5Very high96.7Very high1 Ų137.7 Ų37.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-87.8122.8174.2178.674.4000109.6K235 L238 E239 Y251 A252 L261 V516 P519K235-L249 HydrophobicContact CG-CD2 4.42Å; L238-L249 HydrophobicContact CB-CB 3.86Å; L238-L249 HydrophobicContact CB-CD2 4.03Å; E239-L249 HydrophobicContact CG-CD2 3.71Å; L249-Y251 VanDerWaalsContact CD1-O 3.27Å; L249-Y251 WeakPolarHBondContact CD1-O 3.33Å; L249-A252 HydrophobicContact CD2-CB 4.32Å; L249-L261 HydrophobicContact CD1-CB 3.72Å; L249-L261 HydrophobicContact CD1-CD2 3.72Å; L249-L261 HydrophobicContact CD1-CG 4.3Å; L249-L261 HydrophobicContact CD2-CD2 4.21Å; L249-V516 HydrophobicContact CB-CG2 4.36Å; L249-V516 HydrophobicContact CD2-CG2 3.88Å; L249-V516 HydrophobicContact CG-CG2 3.83Å; L249-V516 WeakPolarHBondContact O-CB 3.39Å; L249-V516 WeakPolarHBondContact O-CG1 3.35Å; L249-V516 WeakPolarHBondContact O-CG2 3.46Å; L249-P519 WeakPolarHBondContact O-CG 3.26Å
250A98.3Very high96.8Very high0 Ų034.7 Ų34.70%017%0.173CC..EExtended strand (participates in β ladder)trans-96.5-33.917600000112.3Y212 V262 V516 P519Y212-A250 HydrophobicContact CD1-CB 4.33Å; Y212-A250 HydrophobicContact CE1-CB 3.64Å; Y212-A250 HydrophobicContact CE2-CB 4.28Å; A250-V262 PolarHBondContact N-O 2.76Å; A250-V516 PolarHBondContact O-N 2.97Å; A250-P519 HydrophobicContact CB-CB 4.15Å
251Y98.6Very high96.9Very high0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-146.1143.9179.4-47.8-95.9000112.7I181 Y185 F186 V205 Y212 L249 V262 G514 A515 W520 E523I181-Y251 HydrophobicContact CD1-CD1 3.9Å; I181-Y251 HydrophobicContact CD1-CE1 3.94Å; I181-Y251 HydrophobicContact CG1-CD1 3.95Å; I181-Y251 HydrophobicContact CG1-CE1 4.47Å; I181-Y251 HydrophobicContact CG2-CD1 4.08Å; I181-Y251 HydrophobicContact CG2-CG 4.48Å; Y185-Y251 AromaticContact CE1-CE1 4Å; Y185-Y251 HydrophobicContact CE1-CE1 4Å; F186-Y251 AromaticContact CE1-CD2 3.98Å; F186-Y251 HydrophobicContact CE1-CD2 3.98Å; F186-Y251 HydrophobicContact CE1-CE2 4.11Å; F186-Y251 HydrophobicContact CE1-CG 4.48Å; F186-Y251 HydrophobicContact CZ-CD1 4.33Å; F186-Y251 AromaticContact CZ-CD2 3.83Å; F186-Y251 HydrophobicContact CZ-CD2 3.83Å; F186-Y251 HydrophobicContact CZ-CE2 4.26Å; F186-Y251 AromaticContact CZ-CG 3.87Å; F186-Y251 HydrophobicContact CZ-CG 3.87Å; V205-Y251 HydrophobicContact CG2-CE2 3.88Å; Y212-Y251 HydrophobicContact CD2-CE2 4.41Å; Y212-Y251 AromaticContact CE2-CE2 3.88Å; Y212-Y251 HydrophobicContact CE2-CE2 3.88Å; L249-Y251 VanDerWaalsContact CD1-O 3.27Å; L249-Y251 WeakPolarHBondContact CD1-O 3.33Å; Y251-V262 HydrophobicContact CD2-CB 3.88Å; Y251-V262 HydrophobicContact CD2-CG1 3.79Å; Y251-V262 HydrophobicContact CD2-CG2 4.49Å; Y251-V262 HydrophobicContact CG-CB 4.36Å; Y251-V262 PolarHBondContact N-O 3.04Å; Y251-V262 PolarHBondContact O-N 2.92Å; Y251-G514 CarbonylContact C-O 3.51Å; Y251-G514 VanDerWaalsContact CA-O 3.24Å; Y251-G514 WeakPolarHBondContact CA-O 3.44Å; Y251-A515 HydrophobicContact CD1-CB 3.98Å; Y251-A515 HydrophobicContact CE1-CB 4.02Å; Y251-W520 AromaticContact CE1-CD1 3.51Å; Y251-W520 AromaticContact CZ-CD1 3.71Å; Y251-E523 PolarHBondContact OH-OE1 3.42Å; Y251-E523 PolarHBondContact OH-OE2 3.45Å
252A98.4Very high97.1Very high0 Ų029.2 Ų29.20%015%0.149CC..EExtended strand (participates in β ladder)trans-128.4119.6168.300000110.5K235 L249 C260 L261 F511 S512 T513 G514K235-A252 HydrophobicContact CG-CB 4.26Å; L249-A252 HydrophobicContact CD2-CB 4.32Å; A252-C260 WeakPolarHBondContact CA-O 3.32Å; A252-L261 HydrophobicContact CB-CD2 4.08Å; A252-F511 HydrophobicContact CB-CE1 4.47Å; A252-S512 CarbonylContact O-C 3.48Å; A252-T513 PolarHBondContact O-N 3.42Å; A252-T513 VanDerWaalsContact O-N 3.1Å; A252-G514 PolarHBondContact N-O 2.83Å; A252-G514 PolarHBondContact O-N 3.01Å
253Y98.1Very high97.3Very high9 Ų926.9 Ų26.94%0.03514%0.136CC..EExtended strand (participates in β ladder)trans-145.9172.4-17971.7-83.3000111I181 D183 F186 T255 C260 V262 S512I181-Y253 HydrophobicContact CG2-CD1 3.98Å; I181-Y253 HydrophobicContact CG2-CG 4.17Å; D183-Y253 HydrophobicContact CB-CE2 4.19Å; F186-Y253 HydrophobicContact CD2-CE1 4.05Å; F186-Y253 HydrophobicContact CE2-CD1 4.09Å; F186-Y253 AromaticContact CE2-CE1 3.52Å; F186-Y253 HydrophobicContact CE2-CE1 3.52Å; F186-Y253 AromaticContact CE2-CZ 3.99Å; F186-Y253 HydrophobicContact CZ-CE1 4.27Å; Y253-T255 HydrophobicContact CD2-CG2 4.35Å; Y253-T255 HydrophobicContact CE2-CG2 3.83Å; Y253-C260 HydrophobicContact CD1-CB 3.74Å; Y253-C260 HydrophobicContact CD2-CB 4.16Å; Y253-C260 HydrophobicContact CE1-CB 3.41Å; Y253-C260 VanDerWaalsContact CE1-CB 3.41Å; Y253-C260 HydrophobicContact CE2-CB 3.87Å; Y253-C260 HydrophobicContact CG-CB 4.1Å; Y253-C260 VanDerWaalsContact CZ-CB 3.48Å; Y253-C260 PolarHBondContact N-O 3.44Å; Y253-C260 VanDerWaalsContact N-O 3.1Å; Y253-C260 WeakPolarHBondContact O-CB 3.47Å; Y253-C260 PolarHBondContact O-N 2.92Å; Y253-V262 HydrophobicContact CD1-CG2 4.24Å; Y253-V262 HydrophobicContact CE1-CG2 3.63Å; Y253-S512 VanDerWaalsContact C-OG 3.32Å
254D96.9Very high97.3Very high55 Ų5527.7 Ų27.729%0.29414%0.141SC..EExtended strand (participates in β ladder)trans-127.4159.6173.678.1-66.7000112.4K219 H258 L259 S512K219-D254 IonicContact NZ-OD2 2.64Å; K219-D254 PolarHBondContact NZ-OD2 3.5Å; D254-H258 WeakPolarHBondContact CA-O 3.39Å; D254-L259 HydrophobicContact CB-CD2 3.59Å; D254-S512 VanDerWaalsContact CB-OG 3.24Å; D254-S512 WeakPolarHBondContact CB-OG 3.47Å; D254-S512 VanDerWaalsContact CG-OG 3.26Å; D254-S512 PolarHBondContact N-OG 3.15Å; D254-S512 WeakPolarHBondContact OD1-CB 3.37Å; D254-S512 PolarHBondContact OD1-OG 2.82Å
255T96.1Very high97.3Very high28 Ų2825 Ų2517%0.17213%0.127CC..  trans-121.1-178.5171.465.30000108.6D183 K219 Y253 T257 H258D183-T255 HydrophobicContact CB-CG2 4.01Å; K219-T255 WeakPolarHBondContact CE-O 3.23Å; K219-T255 PolarHBondContact NZ-O 3.35Å; Y253-T255 HydrophobicContact CD2-CG2 4.35Å; Y253-T255 HydrophobicContact CE2-CG2 3.83Å; T255-T257 PolarHBondContact O-N 3.39Å; T255-T257 VanDerWaalsContact O-N 3.07Å; T255-T257 PolarHBondContact OG1-N 3.42Å; T255-H258 PolarHBondContact N-O 3.25Å; T255-H258 PolarHBondContact OG1-N 3.23Å; T255-H258 PolarHBondContact OG1-O 3.02Å
256K94.4Very high97.1Very high200 Ų20025.5 Ų25.587%0.8713%0.129SC*.SBendtrans-54.1-30.1173-66.4-175.7179.2-179.60113.2
257T94.7Very high96.7Very high84 Ų8426.9 Ų26.952%0.51514%0.137SC..SBendtrans-122.3-19.9-169.551.60000114.7K219 T255K219-T257 PolarHBondContact N-O 3.36Å; T255-T257 PolarHBondContact O-N 3.39Å; T255-T257 VanDerWaalsContact O-N 3.07Å; T255-T257 PolarHBondContact OG1-N 3.42Å
258H96.8Very high96.4Very high45 Ų4526.7 Ų26.721%0.20814%0.136CC..EExtended strand (participates in β ladder)trans-133151.6-172.8-62.381.8000112.8K216 L217 D254 T255K216-H258 HydrophobicContact CB-CB 4.4Å; L217-H258 CarbonylContact O-C 3.43Å; L217-H258 WeakPolarHBondContact O-CA 3.45Å; D254-H258 WeakPolarHBondContact CA-O 3.39Å; T255-H258 PolarHBondContact N-O 3.25Å; T255-H258 PolarHBondContact OG1-N 3.23Å; T255-H258 PolarHBondContact OG1-O 3.02Å
259L97.9Very high96.2Very high0 Ų026.4 Ų26.40%014%0.136CC..EExtended strand (participates in β ladder)trans-95.7137.4156.9-58.2178.5000108.1K216 L217 K219 L222 D254 F507 F508 F511K216-L259 CarbonylContact C-O 3.36Å; K216-L259 WeakPolarHBondContact CA-O 3.43Å; L217-L259 HydrophobicContact CB-CB 4.28Å; L217-L259 PolarHBondContact N-O 3.42Å; L217-L259 PolarHBondContact O-N 2.96Å; K219-L259 HydrophobicContact CG-CD2 4.39Å; K219-L259 HydrophobicContact CG-CG 4.13Å; L222-L259 HydrophobicContact CD2-CD1 4.02Å; D254-L259 HydrophobicContact CB-CD2 3.59Å; L259-F507 HydrophobicContact CD1-CE1 3.51Å; L259-F507 HydrophobicContact CD1-CE2 4.39Å; L259-F507 HydrophobicContact CD1-CZ 3.36Å; L259-F508 HydrophobicContact CD1-CD1 4.4Å; L259-F508 HydrophobicContact CD2-CB 4.38Å; L259-F508 HydrophobicContact CD2-CD1 3.81Å; L259-F508 HydrophobicContact CD2-CG 4.38Å; L259-F508 HydrophobicContact CG-CD1 4.45Å; L259-F511 HydrophobicContact CB-CD1 3.91Å; L259-F511 HydrophobicContact CB-CE1 3.6Å; L259-F511 HydrophobicContact CB-CE2 4.33Å; L259-F511 HydrophobicContact CB-CG 4.39Å; L259-F511 HydrophobicContact CB-CZ 3.79Å; L259-F511 HydrophobicContact CD1-CB 4.5Å; L259-F511 HydrophobicContact CD1-CD1 4.33Å; L259-F511 HydrophobicContact CD1-CD2 3.91Å; L259-F511 HydrophobicContact CD1-CE2 4.13Å; L259-F511 HydrophobicContact CD1-CG 3.99Å; L259-F511 HydrophobicContact CD1-CZ 4.43Å; L259-F511 HydrophobicContact CD2-CB 4.3Å; L259-F511 HydrophobicContact CD2-CD1 3.95Å; L259-F511 HydrophobicContact CD2-CG 4.13Å; L259-F511 HydrophobicContact CG-CD1 4.29Å; L259-F511 HydrophobicContact CG-CE1 4.44Å; L259-F511 HydrophobicContact CG-CG 4.41Å
260C98.3Very high95.9Very high0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-124.5125.8-170.4-62.90000110.7K215 A252 Y253K215-C260 WeakPolarHBondContact O-CA 3.46Å; A252-C260 WeakPolarHBondContact CA-O 3.32Å; Y253-C260 HydrophobicContact CD1-CB 3.74Å; Y253-C260 HydrophobicContact CD2-CB 4.16Å; Y253-C260 HydrophobicContact CE1-CB 3.41Å; Y253-C260 VanDerWaalsContact CE1-CB 3.41Å; Y253-C260 HydrophobicContact CE2-CB 3.87Å; Y253-C260 HydrophobicContact CG-CB 4.1Å; Y253-C260 VanDerWaalsContact CZ-CB 3.48Å; Y253-C260 PolarHBondContact N-O 3.44Å; Y253-C260 VanDerWaalsContact N-O 3.1Å; Y253-C260 WeakPolarHBondContact O-CB 3.47Å; Y253-C260 PolarHBondContact O-N 2.92Å
261L98.2Very high95.8Very high0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-110.8111.3169.2-61.9172.9000108.4C214 K215 K235 L238 L249 A252 M263 F511C214-L261 CarbonylContact C-O 3.58Å; C214-L261 WeakPolarHBondContact CA-O 3.5Å; K215-L261 HydrophobicContact CB-CB 4.32Å; K215-L261 PolarHBondContact N-O 3.45Å; K215-L261 PolarHBondContact O-N 3.25Å; K235-L261 HydrophobicContact CB-CD2 3.93Å; K235-L261 HydrophobicContact CG-CD2 3.7Å; L238-L261 HydrophobicContact CD1-CD1 4.11Å; L249-L261 HydrophobicContact CD1-CB 3.72Å; L249-L261 HydrophobicContact CD1-CD2 3.72Å; L249-L261 HydrophobicContact CD1-CG 4.3Å; L249-L261 HydrophobicContact CD2-CD2 4.21Å; A252-L261 HydrophobicContact CB-CD2 4.08Å; L261-M263 HydrophobicContact CB-CE 3.68Å; L261-F511 HydrophobicContact CD1-CZ 4.25Å; L261-F511 HydrophobicContact CD2-CE1 3.84Å; L261-F511 HydrophobicContact CD2-CE2 4.23Å; L261-F511 HydrophobicContact CD2-CZ 3.4Å; L261-F511 VanDerWaalsContact CD2-CZ 3.4Å; L261-F511 HydrophobicContact CG-CE1 4.32Å; L261-F511 HydrophobicContact CG-CZ 3.68Å
262V98.4Very high95.6Very high0 Ų032.9 Ų32.90%017%0.166CC..EExtended strand (participates in β ladder)trans-94.1112177.4-174.80000108.3F186 V203 Y212 A213 C214 A250 Y251 Y253F186-V262 HydrophobicContact CE1-CG1 4Å; F186-V262 HydrophobicContact CE1-CG2 4.14Å; F186-V262 HydrophobicContact CE2-CG2 4.28Å; F186-V262 HydrophobicContact CZ-CG1 4.42Å; F186-V262 HydrophobicContact CZ-CG2 3.85Å; V203-V262 HydrophobicContact CG2-CG1 4.04Å; Y212-V262 HydrophobicContact CD1-CG1 4.33Å; Y212-V262 HydrophobicContact CD2-CG1 3.89Å; Y212-V262 HydrophobicContact CG-CG1 3.63Å; A213-V262 CarbonylContact O-C 3.57Å; A213-V262 WeakPolarHBondContact O-CA 3.33Å; C214-V262 HydrophobicContact CB-CG2 4.42Å; A250-V262 PolarHBondContact N-O 2.76Å; Y251-V262 HydrophobicContact CD2-CB 3.88Å; Y251-V262 HydrophobicContact CD2-CG1 3.79Å; Y251-V262 HydrophobicContact CD2-CG2 4.49Å; Y251-V262 HydrophobicContact CG-CB 4.36Å; Y251-V262 PolarHBondContact N-O 3.04Å; Y251-V262 PolarHBondContact O-N 2.92Å; Y253-V262 HydrophobicContact CD1-CG2 4.24Å; Y253-V262 HydrophobicContact CE1-CG2 3.63Å
263M97.4Very high95.1Very high20 Ų2037.4 Ų37.410%0.09918%0.184CC..EExtended strand (participates in β ladder)trans-129.4165.5-169.463.4-171.567.500111.7Y212 A213 K215 N248 L261 L265Y212-M263 WeakPolarHBondContact CB-O 3.3Å; Y212-M263 WeakPolarHBondContact CD1-O 3.3Å; A213-M263 HydrophobicContact CB-CG 4.13Å; A213-M263 PolarHBondContact N-O 3.25Å; A213-M263 WeakPolarHBondContact O-CG 3.28Å; A213-M263 PolarHBondContact O-N 3.44Å; K215-M263 HydrophobicContact CB-CE 3.56Å; K215-M263 HydrophobicContact CD-CE 4.03Å; K215-M263 HydrophobicContact CG-CE 4.45Å; N248-M263 CarbonylContact O-C 3.52Å; N248-M263 WeakPolarHBondContact O-CA 3.43Å; N248-M263 WeakPolarHBondContact O-CB 3.14Å; L261-M263 HydrophobicContact CB-CE 3.68Å; M263-L265 PolarHBondContact O-N 3.28Å
264T96.6Very high94.8Very high32 Ų3237 Ų3720%0.19618%0.183CC..EExtended strand (participates in β ladder)trans-42.8126.8175.9-50.20000111.9N248 M266N248-T264 PolarHBondContact N-OG1 2.9Å; N248-T264 PolarHBondContact O-N 3.19Å; N248-T264 PolarHBondContact O-OG1 2.87Å; T264-M266 HydrophobicContact CG2-SD 3.79Å
265L95.3Very high94.6Very high22 Ų2234.3 Ų34.312%0.11517%0.169CC..  trans-78.1125.9176.1-18061.5000110.5Y16 L192 M211 A213 M263Y16-L265 HydrophobicContact CE2-CD2 4.13Å; L192-L265 HydrophobicContact CD1-CD1 3.51Å; M211-L265 HydrophobicContact CB-CD2 3.76Å; M211-L265 HydrophobicContact CE-CD2 4.36Å; A213-L265 HydrophobicContact CB-CD1 4.08Å; M263-L265 PolarHBondContact O-N 3.28Å
266M94.5Very high94.2Very high20 Ų2035.7 Ų35.710%0.09917%0.171CC..  trans-116.698.5178.6-53-58.8-69.500109.1V247 T264 L324 L325 D326 R332V247-M266 HydrophobicContact CG1-CG 4.01Å; V247-M266 HydrophobicContact CG1-SD 4.45Å; T264-M266 HydrophobicContact CG2-SD 3.79Å; M266-L324 HydrophobicContact CB-CB 3.48Å; M266-L324 VanDerWaalsContact CB-CB 3.48Å; M266-L324 HydrophobicContact CB-CD1 3.92Å; M266-L324 HydrophobicContact CB-CG 4.34Å; M266-L324 HydrophobicContact CE-CB 4.11Å; M266-L324 WeakPolarHBondContact CE-O 2.97Å; M266-L324 HydrophobicContact CG-CB 3.69Å; M266-L324 HydrophobicContact CG-CD1 3.9Å; M266-L324 HydrophobicContact CG-CG 4.45Å; M266-L325 CarbonylContact C-O 3.34Å; M266-L325 VanDerWaalsContact C-O 3.29Å; M266-L325 WeakPolarHBondContact CA-O 3.45Å; M266-L325 WeakPolarHBondContact CB-O 3.41Å; M266-D326 HydrophobicContact CE-CB 3.88Å; M266-D326 HydrophobicContact SD-CB 4.18Å; M266-R332 HydrophobicContact CE-CB 3.74Å; M266-R332 HydrophobicContact CE-CG 3.58Å; M266-R332 HydrophobicContact SD-CB 4.46Å; M266-R332 HydrophobicContact SD-CG 4.26Å
267N89.3Confident93.8Very high30 Ų3030.5 Ų30.516%0.1615%0.153CC..  trans-97-4-171.365.8-38.3000114.3Y16 G269 L325 S327Y16-N267 WeakPolarHBondContact OH-CB 3.34Å; N267-G269 VanDerWaalsContact C-N 3.29Å; N267-L325 PolarHBondContact N-O 2.83Å; N267-S327 VanDerWaalsContact ND2-CB 3.34Å; N267-S327 WeakPolarHBondContact ND2-CB 3.31Å; N267-S327 WeakPolarHBondContact OD1-CA 3.26Å; N267-S327 VanDerWaalsContact OD1-CB 3.28Å; N267-S327 WeakPolarHBondContact OD1-CB 3.36Å; N267-S327 PolarHBondContact OD1-N 3.4Å
268G91.7Very high93.1Very high0 Ų027.4 Ų27.40%013%0.133CC..SBendtrans-83.11176.900000114.3H274 L325G268-H274 PolarHBondContact O-CE1 3.37Å; G268-H274 PolarHBondContact O-NE2 3.35Å; G268-L325 VanDerWaalsContact CA-O 3.3Å; G268-L325 WeakPolarHBondContact CA-O 3.12Å; G268-L325 PolarHBondContact N-O 3.4Å
269G91.6Very high91.7Very high8 Ų825.4 Ų25.48%0.08212%0.124CC..  trans78.9174.5-178.400000113.7N267 L325 Y482N267-G269 VanDerWaalsContact C-N 3.29Å; G269-L325 PolarHBondContact O-N 2.82Å; G269-Y482 WeakPolarHBondContact CA-O 3.48Å
270D93.6Very high90.2Very high54 Ų5431 Ų3129%0.28915%0.146SC..BIsolated β-bridgetrans-83.4148.9176.964.676.9000112.5K272 Y273 H274 V323 L324D270-K272 PolarHBondContact O-N 3.47Å; D270-K272 VanDerWaalsContact O-N 3.16Å; D270-K272 WeakPolarHBondContact OD1-CA 3.36Å; D270-K272 VanDerWaalsContact OD1-CB 3.25Å; D270-K272 WeakPolarHBondContact OD1-CB 3.12Å; D270-K272 PolarHBondContact OD1-N 3.15Å; D270-Y273 VanDerWaalsContact O-CB 3.31Å; D270-Y273 WeakPolarHBondContact O-CB 3.45Å; D270-Y273 PolarHBondContact O-N 3.33Å; D270-Y273 PolarHBondContact OD1-N 3.08Å; D270-H274 PolarHBondContact O-CD2 2.9Å; D270-H274 PolarHBondContact O-N 3.29Å; D270-V323 CarbonylContact C-O 3.58Å; D270-V323 WeakPolarHBondContact CA-O 3.44Å; D270-L324 HydrophobicContact CB-CD2 3.68Å
271L95.3Very high88.6Confident0 Ų035 Ų350%017%0.167CC..Hα-helixtrans-61.6-26.2-175.4-175.865.2000112.7H274 I275 I289 Y297 P320 V323 L325 M384L271-H274 HydrophobicContact CD1-CB 4.28Å; L271-H274 WeakPolarHBondContact O-CB 3.47Å; L271-H274 PolarHBondContact O-N 2.52Å; L271-I275 HydrophobicContact CG-CD1 4.17Å; L271-I275 HydrophobicContact CG-CG1 4.5Å; L271-I275 VanDerWaalsContact O-CG1 3.27Å; L271-I275 WeakPolarHBondContact O-CG1 3.49Å; L271-I275 PolarHBondContact O-N 3.13Å; L271-I289 HydrophobicContact CD1-CD1 3.98Å; L271-Y297 HydrophobicContact CD1-CD2 3.69Å; L271-Y297 HydrophobicContact CD1-CE2 3.97Å; L271-P320 HydrophobicContact CB-CB 4.11Å; L271-P320 WeakPolarHBondContact CB-O 3.3Å; L271-P320 HydrophobicContact CD2-CB 4.31Å; L271-P320 HydrophobicContact CG-CB 4.2Å; L271-P320 PolarHBondContact N-O 3.21Å; L271-V323 HydrophobicContact CB-CB 3.81Å; L271-V323 HydrophobicContact CB-CG1 4.09Å; L271-V323 HydrophobicContact CD2-CB 3.99Å; L271-V323 HydrophobicContact CD2-CG1 3.98Å; L271-V323 HydrophobicContact CD2-CG2 4.23Å; L271-V323 PolarHBondContact N-O 3.21Å; L271-L325 HydrophobicContact CB-CD1 4.45Å; L271-L325 HydrophobicContact CD1-CD1 4.49Å; L271-M384 HydrophobicContact CD1-SD 4.46Å; L271-M384 HydrophobicContact CD2-CG 4.15Å; L271-M384 HydrophobicContact CD2-SD 3.73Å
272K93.4Very high86.8Confident83 Ų8337.4 Ų37.436%0.36119%0.192SC..Hα-helixtrans-61.8-46.5171.4174.2-177.6-171.91660110.8D270 H274 I275 Y276 P320 E321D270-K272 PolarHBondContact O-N 3.47Å; D270-K272 VanDerWaalsContact O-N 3.16Å; D270-K272 WeakPolarHBondContact OD1-CA 3.36Å; D270-K272 VanDerWaalsContact OD1-CB 3.25Å; D270-K272 WeakPolarHBondContact OD1-CB 3.12Å; D270-K272 PolarHBondContact OD1-N 3.15Å; K272-H274 PolarHBondContact O-N 3.26Å; K272-I275 PolarHBondContact O-N 3.28Å; K272-I275 VanDerWaalsContact O-N 3.1Å; K272-Y276 HydrophobicContact CB-CD2 4.48Å; K272-Y276 HydrophobicContact CG-CD2 3.52Å; K272-Y276 HydrophobicContact CG-CE2 3.85Å; K272-Y276 VanDerWaalsContact O-CD2 3.27Å; K272-Y276 WeakPolarHBondContact O-CD2 3.48Å; K272-Y276 PolarHBondContact O-N 3.36Å; K272-P320 HydrophobicContact CB-CB 4.07Å; K272-P320 PolarHBondContact N-O 2.92Å; K272-E321 HydrophobicContact CB-CG 4.12Å; K272-E321 HydrophobicContact CD-CG 3.46Å; K272-E321 VanDerWaalsContact CD-CG 3.46Å; K272-E321 VanDerWaalsContact CD-OE1 3.31Å; K272-E321 WeakPolarHBondContact CD-OE1 3.49Å; K272-E321 HydrophobicContact CG-CG 4.46Å; K272-E321 IonicContact NZ-OE1 2.74Å; K272-E321 PolarHBondContact NZ-OE1 3.25Å
273Y89.8Confident84.8Confident95 Ų9545.6 Ų45.637%0.37323%0.228SC..Hα-helixtrans-55.2-40.1174.3-175.4-94.2000111.6D270 N277 I278 Y482D270-Y273 VanDerWaalsContact O-CB 3.31Å; D270-Y273 WeakPolarHBondContact O-CB 3.45Å; D270-Y273 PolarHBondContact O-N 3.33Å; D270-Y273 PolarHBondContact OD1-N 3.08Å; Y273-N277 HydrophobicContact CD1-CB 4.4Å; Y273-N277 HydrophobicContact CD2-CB 3.86Å; Y273-N277 HydrophobicContact CE1-CB 4.22Å; Y273-N277 HydrophobicContact CE2-CB 3.67Å; Y273-N277 HydrophobicContact CG-CB 4.24Å; Y273-N277 WeakPolarHBondContact O-CA 3.34Å; Y273-N277 VanDerWaalsContact O-CB 3.27Å; Y273-N277 WeakPolarHBondContact O-CB 3.33Å; Y273-N277 PolarHBondContact O-N 2.91Å; Y273-I278 HydrophobicContact CD1-CD1 4.17Å; Y273-I278 HydrophobicContact CD1-CG1 4.2Å; Y273-I278 HydrophobicContact CE1-CD1 4.08Å; Y273-I278 HydrophobicContact CE1-CG1 3.95Å; Y273-I278 PolarHBondContact O-N 3.25Å; Y273-Y482 HydrophobicContact CE1-CD1 4.1Å
274H91.2Very high83Confident0 Ų046.4 Ų46.40%024%0.241CC..Iπ-helixtrans-61.9-46.2175-69.9-92.2000112.8G268 D270 L271 K272 I278 G279 I289 R293 W474G268-H274 PolarHBondContact O-CE1 3.37Å; G268-H274 PolarHBondContact O-NE2 3.35Å; D270-H274 PolarHBondContact O-CD2 2.9Å; D270-H274 PolarHBondContact O-N 3.29Å; L271-H274 HydrophobicContact CD1-CB 4.28Å; L271-H274 WeakPolarHBondContact O-CB 3.47Å; L271-H274 PolarHBondContact O-N 2.52Å; K272-H274 PolarHBondContact O-N 3.26Å; H274-I278 WeakPolarHBondContact ND1-CD1 3.45Å; H274-I278 PolarHBondContact O-N 3.28Å; H274-G279 PolarHBondContact O-N 3.24Å; H274-G279 VanDerWaalsContact O-N 3.17Å; H274-I289 HydrophobicContact CB-CG2 4.23Å; H274-R293 PolarHBondContact ND1-NH2 3.38Å; H274-W474 AromaticContact CE1-CH2 3.33Å; H274-W474 WeakPolarHBondContact CE1-CH2 3.33Å; H274-W474 AromaticContact CE1-CZ3 3.32Å; H274-W474 WeakPolarHBondContact CE1-CZ3 3.45Å
275I91.9Very high81.3Confident0 Ų048.8 Ų48.80%026%0.264CS..Iπ-helixtrans-64.4-41.2-178.7-67.5166.4000111.8L271 K272 K287 G288 I289 P320 E383 M384L271-I275 HydrophobicContact CG-CD1 4.17Å; L271-I275 HydrophobicContact CG-CG1 4.5Å; L271-I275 VanDerWaalsContact O-CG1 3.27Å; L271-I275 WeakPolarHBondContact O-CG1 3.49Å; L271-I275 PolarHBondContact O-N 3.13Å; K272-I275 PolarHBondContact O-N 3.28Å; K272-I275 VanDerWaalsContact O-N 3.1Å; I275-K287 CarbonylContact O-C 3.52Å; I275-K287 WeakPolarHBondContact O-CA 3.36Å; I275-G288 PolarHBondContact O-N 3.48Å; I275-I289 HydrophobicContact CG1-CG2 4.36Å; I275-P320 HydrophobicContact CD1-CB 3.72Å; I275-P320 HydrophobicContact CD1-CG 3.75Å; I275-E383 HydrophobicContact CD1-CG 4.35Å; I275-E383 HydrophobicContact CG2-CG 4.49Å; I275-M384 HydrophobicContact CD1-CB 4.46Å; I275-M384 HydrophobicContact CD1-CG 3.76Å; I275-M384 HydrophobicContact CG1-CG 4.23Å
276Y88.7Confident80.3Confident56 Ų5652.2 Ų52.222%0.2228%0.282CS..Iπ-helixtrans-102.9-21.4-168.2-69.8-84000114.7K272 K287 E383 G387K272-Y276 HydrophobicContact CB-CD2 4.48Å; K272-Y276 HydrophobicContact CG-CD2 3.52Å; K272-Y276 HydrophobicContact CG-CE2 3.85Å; K272-Y276 VanDerWaalsContact O-CD2 3.27Å; K272-Y276 WeakPolarHBondContact O-CD2 3.48Å; K272-Y276 PolarHBondContact O-N 3.36Å; Y276-K287 HydrophobicContact CD1-CD 3.7Å; Y276-K287 HydrophobicContact CD1-CG 4.3Å; Y276-K287 HydrophobicContact CE1-CD 3.95Å; Y276-E383 WeakPolarHBondContact CE2-OE1 3.16Å; Y276-E383 PolarHBondContact OH-OE1 2.86Å; Y276-G387 WeakPolarHBondContact CE1-O 3.32Å; Y276-G387 PolarHBondContact OH-O 3.31Å
277N84.8Confident79.9Confident92 Ų9254.9 Ų54.949%0.49229%0.294SS..Iπ-helixtrans-118.8-28.5-173.6-6478.3000113.9Y273Y273-N277 HydrophobicContact CD1-CB 4.4Å; Y273-N277 HydrophobicContact CD2-CB 3.86Å; Y273-N277 HydrophobicContact CE1-CB 4.22Å; Y273-N277 HydrophobicContact CE2-CB 3.67Å; Y273-N277 HydrophobicContact CG-CB 4.24Å; Y273-N277 WeakPolarHBondContact O-CA 3.34Å; Y273-N277 VanDerWaalsContact O-CB 3.27Å; Y273-N277 WeakPolarHBondContact O-CB 3.33Å; Y273-N277 PolarHBondContact O-N 2.91Å
278I80.6Confident80Confident19 Ų1953.5 Ų53.510%0.09729%0.286CS..Iπ-helixtrans-92-44.2178.7-61.3-175.5000110.5Y273 H274 G282 K283 G284 W474 Y482Y273-I278 HydrophobicContact CD1-CD1 4.17Å; Y273-I278 HydrophobicContact CD1-CG1 4.2Å; Y273-I278 HydrophobicContact CE1-CD1 4.08Å; Y273-I278 HydrophobicContact CE1-CG1 3.95Å; Y273-I278 PolarHBondContact O-N 3.25Å; H274-I278 WeakPolarHBondContact ND1-CD1 3.45Å; H274-I278 PolarHBondContact O-N 3.28Å; I278-G282 CarbonylContact O-C 3.53Å; I278-G282 VanDerWaalsContact O-C 3.26Å; I278-G282 VanDerWaalsContact O-CA 3.23Å; I278-G282 WeakPolarHBondContact O-CA 3.43Å; I278-K283 PolarHBondContact O-N 2.57Å; I278-G284 WeakPolarHBondContact O-CA 3.3Å; I278-G284 PolarHBondContact O-N 2.96Å; I278-W474 HydrophobicContact CD1-CH2 4.43Å; I278-W474 HydrophobicContact CD1-CZ2 4.09Å; I278-Y482 HydrophobicContact CD1-CD1 4.37Å; I278-Y482 HydrophobicContact CD1-CE1 4.02Å
279G67.2Low80Confident2 Ų253.7 Ų53.72%0.02129%0.287CS..  trans73.3-177.2175.400000114.7H274 D286 G288H274-G279 PolarHBondContact O-N 3.24Å; H274-G279 VanDerWaalsContact O-N 3.17Å; G279-D286 WeakPolarHBondContact CA-O 3.38Å; G279-G288 CarbonylContact C-O 3.6Å; G279-G288 VanDerWaalsContact CA-O 3.28Å; G279-G288 WeakPolarHBondContact CA-O 3.23Å
280Y67.4Low80.1Confident119 Ų11956.6 Ų56.647%0.46730%0.299SS..THydrogen-bonded Turntrans-66.8-39.2-172.3-171.2-91.8000113.9G288 E290Y280-G288 PolarHBondContact N-O 3.12Å; Y280-E290 HydrophobicContact CE2-CB 4.38Å; Y280-E290 HydrophobicContact CE2-CG 4.5Å
281D63.1Low80.1Confident82 Ų8255.8 Ų55.844%0.43929%0.294SS..THydrogen-bonded Turntrans-100.35.2-178.173.3-17.3000113.6K283D281-K283 PolarHBondContact O-N 3.34Å; D281-K283 WeakPolarHBondContact OD1-CA 3.1Å; D281-K283 WeakPolarHBondContact OD1-CB 3.2Å; D281-K283 PolarHBondContact OD1-N 2.99Å; D281-K283 WeakPolarHBondContact OD2-CD 3.11Å; D281-K283 WeakPolarHBondContact OD2-CG 3.16Å
282G60.2Low80Confident51 Ų5162.7 Ų62.753%0.52632%0.324SS..SBendtrans71.37.1-175.500000114.7I278I278-G282 CarbonylContact O-C 3.53Å; I278-G282 VanDerWaalsContact O-C 3.26Å; I278-G282 VanDerWaalsContact O-CA 3.23Å; I278-G282 WeakPolarHBondContact O-CA 3.43Å
283K57.5Low80.1Confident173 Ų17359.1 Ų59.175%0.75231%0.308SS*.SBendtrans-105.31.7178.9-52.4-176.5-168.3170.20113.1I278 D281 A285I278-K283 PolarHBondContact O-N 2.57Å; D281-K283 PolarHBondContact O-N 3.34Å; D281-K283 WeakPolarHBondContact OD1-CA 3.1Å; D281-K283 WeakPolarHBondContact OD1-CB 3.2Å; D281-K283 PolarHBondContact OD1-N 2.99Å; D281-K283 WeakPolarHBondContact OD2-CD 3.11Å; D281-K283 WeakPolarHBondContact OD2-CG 3.16Å; K283-A285 VanDerWaalsContact C-N 3.28Å; K283-A285 PolarHBondContact O-N 3.37Å
284G59.1Low80.5Confident37 Ų3754.6 Ų54.638%0.38129%0.29SS..SBendtrans71.212.6172.800000115.8I278I278-G284 WeakPolarHBondContact O-CA 3.3Å; I278-G284 PolarHBondContact O-N 2.96Å
285A61.8Low80.8Confident81 Ų8155.7 Ų55.767%0.66930%0.296SS*.SBendtrans-80.2-35.7-179.300000113K283K283-A285 VanDerWaalsContact C-N 3.28Å; K283-A285 PolarHBondContact O-N 3.37Å
286D73.6Confident81.1Confident94 Ų9456 Ų5650%0.50330%0.297SS..SBendtrans-113.4140.4178-70.3-32.3000110.6G279G279-D286 WeakPolarHBondContact CA-O 3.38Å
287K86.9Confident81.6Confident77 Ų7753.3 Ų53.334%0.33529%0.287SS..SBendtrans-79.3157.2172.3-60.5-178.9176.4-173.70111I275 Y276 E395I275-K287 CarbonylContact O-C 3.52Å; I275-K287 WeakPolarHBondContact O-CA 3.36Å; Y276-K287 HydrophobicContact CD1-CD 3.7Å; Y276-K287 HydrophobicContact CD1-CG 4.3Å; Y276-K287 HydrophobicContact CE1-CD 3.95Å; K287-E395 IonicContact NZ-OE2 3.63Å; K287-E395 PolarHBondContact NZ-OE2 3.44Å
288G90.3Very high82.2Confident1 Ų149 Ų491%0.0126%0.263CS..SBendtrans94.9176.4-174.100000112.6I275 G279 Y280 M384I275-G288 PolarHBondContact O-N 3.48Å; G279-G288 CarbonylContact C-O 3.6Å; G279-G288 VanDerWaalsContact CA-O 3.28Å; G279-G288 WeakPolarHBondContact CA-O 3.23Å; Y280-G288 PolarHBondContact N-O 3.12Å; G288-M384 CarbonylContact C-O 3.59Å; G288-M384 WeakPolarHBondContact CA-O 3.32Å
289I92.4Very high83.1Confident4 Ų448 Ų482%0.02126%0.259CS..  trans-132.9165.5-179.164.2175.5000112.2L271 H274 I275 R293 I294 Y297 M384L271-I289 HydrophobicContact CD1-CD1 3.98Å; H274-I289 HydrophobicContact CB-CG2 4.23Å; I275-I289 HydrophobicContact CG1-CG2 4.36Å; I289-R293 HydrophobicContact CD1-CB 4.13Å; I289-I294 HydrophobicContact CD1-CG1 4.02Å; I289-I294 HydrophobicContact CG1-CD1 4.14Å; I289-I294 HydrophobicContact CG1-CG1 3.54Å; I289-I294 WeakPolarHBondContact O-CD1 3.35Å; I289-Y297 HydrophobicContact CD1-CD2 3.92Å; I289-Y297 HydrophobicContact CD1-CE2 4.02Å; I289-M384 HydrophobicContact CD1-CB 4.39Å; I289-M384 HydrophobicContact CD1-CG 4.14Å; I289-M384 HydrophobicContact CD1-SD 3.99Å; I289-M384 HydrophobicContact CG1-CB 4.22Å; I289-M384 HydrophobicContact CG1-CG 4.48Å; I289-M384 PolarHBondContact N-O 3.24Å
290E92.4Very high84.6Confident68 Ų6848.2 Ų48.232%0.31826%0.259SS..  trans-62.1136.8-179.1-171.2-16717100112.6Y280 K292 R293 I294Y280-E290 HydrophobicContact CE2-CB 4.38Å; Y280-E290 HydrophobicContact CE2-CG 4.5Å; E290-K292 VanDerWaalsContact C-N 3.27Å; E290-K292 PolarHBondContact O-N 3.43Å; E290-K292 VanDerWaalsContact O-N 3.12Å; E290-R293 HydrophobicContact CB-CG 4.27Å; E290-R293 WeakPolarHBondContact O-CA 3.38Å; E290-R293 VanDerWaalsContact O-CB 3.28Å; E290-R293 WeakPolarHBondContact O-CB 3.23Å; E290-R293 PolarHBondContact O-N 3.48Å; E290-I294 WeakPolarHBondContact O-CG1 3.22Å; E290-I294 PolarHBondContact O-N 2.83Å
291M94Very high86.1Confident37 Ų3742.7 Ų42.718%0.18224%0.237CC..Hα-helixtrans-52-39-177-171.157.872.100114.1R293 I294 I295 V385 C421 T426 W456M291-R293 VanDerWaalsContact C-N 3.31Å; M291-R293 PolarHBondContact O-N 2.88Å; M291-I294 WeakPolarHBondContact O-CB 3.12Å; M291-I294 PolarHBondContact O-N 2.91Å; M291-I294 VanDerWaalsContact O-N 3.13Å; M291-I294 HydrophobicContact SD-CB 4.29Å; M291-I294 HydrophobicContact SD-CD1 4.32Å; M291-I295 HydrophobicContact CG-CD1 3.97Å; M291-I295 HydrophobicContact CG-CG1 4.38Å; M291-I295 WeakPolarHBondContact O-CG1 3.39Å; M291-I295 PolarHBondContact O-N 2.82Å; M291-I295 HydrophobicContact SD-CD1 4.49Å; M291-I295 HydrophobicContact SD-CG1 4.37Å; M291-V385 HydrophobicContact CE-CG2 4.14Å; M291-C421 WeakPolarHBondContact CE-O 3.46Å; M291-T426 HydrophobicContact CE-CG2 3.92Å; M291-T426 VanDerWaalsContact CE-OG1 3.29Å; M291-T426 WeakPolarHBondContact CE-OG1 3.38Å; M291-W456 HydrophobicContact SD-CZ2 3.95Å
292K94.4Very high87.8Confident145 Ų14538.8 Ų38.863%0.6322%0.217SC*.Hα-helixtrans-60-41.2175.8-70.5-177.3180175.90112.1E290 H296 P473E290-K292 VanDerWaalsContact C-N 3.27Å; E290-K292 PolarHBondContact O-N 3.43Å; E290-K292 VanDerWaalsContact O-N 3.12Å; K292-H296 WeakPolarHBondContact O-CB 3.37Å; K292-H296 PolarHBondContact O-N 3.26Å; K292-P473 HydrophobicContact CB-CB 4.27Å
293R95.3Very high89.6Confident8 Ų836.8 Ų36.83%0.0319%0.194CC..Hα-helixtrans-64.5-42.3173.4-59179.665.1-167.6-0.2111.2H274 I289 E290 M291 H296 Y297 P473 W474H274-R293 PolarHBondContact ND1-NH2 3.38Å; I289-R293 HydrophobicContact CD1-CB 4.13Å; E290-R293 HydrophobicContact CB-CG 4.27Å; E290-R293 WeakPolarHBondContact O-CA 3.38Å; E290-R293 VanDerWaalsContact O-CB 3.28Å; E290-R293 WeakPolarHBondContact O-CB 3.23Å; E290-R293 PolarHBondContact O-N 3.48Å; M291-R293 VanDerWaalsContact C-N 3.31Å; M291-R293 PolarHBondContact O-N 2.88Å; R293-H296 PolarHBondContact O-N 3.45Å; R293-Y297 HydrophobicContact CB-CD2 4.31Å; R293-Y297 HydrophobicContact CB-CE2 3.88Å; R293-Y297 PolarHBondContact NE-OH 3.11Å; R293-Y297 PolarHBondContact NH2-OH 3.39Å; R293-Y297 VanDerWaalsContact NH2-OH 3.08Å; R293-Y297 WeakPolarHBondContact O-CB 3.34Å; R293-Y297 VanDerWaalsContact O-CD2 3.28Å; R293-Y297 WeakPolarHBondContact O-CD2 3.32Å; R293-Y297 VanDerWaalsContact O-CG 3.23Å; R293-Y297 PolarHBondContact O-N 3.44Å; R293-P473 HydrophobicContact CB-CG 4.23Å; R293-P473 HydrophobicContact CG-CB 4.15Å; R293-P473 HydrophobicContact CG-CG 3.87Å; R293-W474 HydrophobicContact CG-CB 4.04Å; R293-W474 VanDerWaalsContact NE-CB 3.29Å
294I97.4Very high91.6Very high1 Ų128.5 Ų28.51%0.00516%0.158CC..Hα-helixtrans-59.7-49.6178-54.5-176.4000110.4I289 E290 M291 H296 T298 I381 M384 V385 W456I289-I294 HydrophobicContact CD1-CG1 4.02Å; I289-I294 HydrophobicContact CG1-CD1 4.14Å; I289-I294 HydrophobicContact CG1-CG1 3.54Å; I289-I294 WeakPolarHBondContact O-CD1 3.35Å; E290-I294 WeakPolarHBondContact O-CG1 3.22Å; E290-I294 PolarHBondContact O-N 2.83Å; M291-I294 WeakPolarHBondContact O-CB 3.12Å; M291-I294 PolarHBondContact O-N 2.91Å; M291-I294 VanDerWaalsContact O-N 3.13Å; M291-I294 HydrophobicContact SD-CB 4.29Å; M291-I294 HydrophobicContact SD-CD1 4.32Å; I294-H296 PolarHBondContact O-N 3.39Å; I294-T298 WeakPolarHBondContact O-CB 3.17Å; I294-T298 PolarHBondContact O-N 3.07Å; I294-T298 PolarHBondContact O-OG1 3.29Å; I294-I381 HydrophobicContact CG2-CG2 4.14Å; I294-M384 HydrophobicContact CB-SD 4.48Å; I294-M384 HydrophobicContact CD1-CB 3.87Å; I294-M384 HydrophobicContact CG1-CB 3.93Å; I294-M384 HydrophobicContact CG1-SD 4.48Å; I294-M384 HydrophobicContact CG2-CB 4.01Å; I294-M384 HydrophobicContact CG2-CE 3.86Å; I294-M384 HydrophobicContact CG2-SD 4.03Å; I294-V385 HydrophobicContact CD1-CB 4.28Å; I294-V385 HydrophobicContact CD1-CG2 3.53Å; I294-W456 HydrophobicContact CG2-CH2 3.89Å; I294-W456 HydrophobicContact CG2-CZ2 4.05Å
295I98.1Very high93.4Very high23 Ų2326.8 Ų26.812%0.11814%0.14CC..Hα-helixtrans-60.9-47.4179.2-64.6165.7000110.5M291 T298 A299 W456 F457 I460M291-I295 HydrophobicContact CG-CD1 3.97Å; M291-I295 HydrophobicContact CG-CG1 4.38Å; M291-I295 WeakPolarHBondContact O-CG1 3.39Å; M291-I295 PolarHBondContact O-N 2.82Å; M291-I295 HydrophobicContact SD-CD1 4.49Å; M291-I295 HydrophobicContact SD-CG1 4.37Å; I295-T298 PolarHBondContact O-N 2.94Å; I295-A299 WeakPolarHBondContact O-CB 3.41Å; I295-A299 PolarHBondContact O-N 3.32Å; I295-W456 VanDerWaalsContact CA-CH2 3.45Å; I295-W456 HydrophobicContact CB-CH2 4.05Å; I295-W456 HydrophobicContact CB-CZ2 4.4Å; I295-W456 HydrophobicContact CB-CZ3 4.16Å; I295-W456 HydrophobicContact CD1-CZ2 4.47Å; I295-W456 HydrophobicContact CG1-CD2 4.06Å; I295-W456 HydrophobicContact CG1-CE3 4.14Å; I295-W456 HydrophobicContact CG1-CH2 3.56Å; I295-W456 HydrophobicContact CG1-CZ2 3.42Å; I295-W456 VanDerWaalsContact CG1-CZ2 3.42Å; I295-W456 HydrophobicContact CG1-CZ3 3.91Å; I295-W456 HydrophobicContact CG2-CE3 4.46Å; I295-W456 HydrophobicContact CG2-CZ3 4.3Å; I295-F457 HydrophobicContact CG2-CD1 4.39Å; I295-I460 HydrophobicContact CG2-CD1 4.08Å; I295-I460 HydrophobicContact CG2-CG1 3.83Å
296H97.9Very high95.1Very high6 Ų624.9 Ų24.93%0.02812%0.119CC..Hα-helixtrans-59.9-54179.2-170.979.5000112.5K292 R293 I294 T298 A299 Q300 Q330 P473K292-H296 WeakPolarHBondContact O-CB 3.37Å; K292-H296 PolarHBondContact O-N 3.26Å; R293-H296 PolarHBondContact O-N 3.45Å; I294-H296 PolarHBondContact O-N 3.39Å; H296-T298 VanDerWaalsContact C-N 3.31Å; H296-T298 PolarHBondContact O-N 3.11Å; H296-A299 WeakPolarHBondContact O-CB 3.46Å; H296-A299 PolarHBondContact O-N 2.87Å; H296-Q300 WeakPolarHBondContact O-CG 3.37Å; H296-Q300 PolarHBondContact O-N 2.89Å; H296-Q300 VanDerWaalsContact O-N 3.14Å; H296-Q330 PolarHBondContact NE2-OE1 3.28Å; H296-P473 HydrophobicContact CB-CG 3.84Å
297Y98.5Very high96.3Very high0 Ų023 Ų230%011%0.107CC..Hα-helixtrans-64.7-37.5-179.9-60.5-27.7000111.8L271 I289 R293 A299 Q300 I301 L325 G329 C331L271-Y297 HydrophobicContact CD1-CD2 3.69Å; L271-Y297 HydrophobicContact CD1-CE2 3.97Å; I289-Y297 HydrophobicContact CD1-CD2 3.92Å; I289-Y297 HydrophobicContact CD1-CE2 4.02Å; R293-Y297 HydrophobicContact CB-CD2 4.31Å; R293-Y297 HydrophobicContact CB-CE2 3.88Å; R293-Y297 PolarHBondContact NE-OH 3.11Å; R293-Y297 PolarHBondContact NH2-OH 3.39Å; R293-Y297 VanDerWaalsContact NH2-OH 3.08Å; R293-Y297 WeakPolarHBondContact O-CB 3.34Å; R293-Y297 VanDerWaalsContact O-CD2 3.28Å; R293-Y297 WeakPolarHBondContact O-CD2 3.32Å; R293-Y297 VanDerWaalsContact O-CG 3.23Å; R293-Y297 PolarHBondContact O-N 3.44Å; Y297-A299 VanDerWaalsContact C-N 3.33Å; Y297-A299 PolarHBondContact O-N 3.39Å; Y297-Q300 PolarHBondContact O-N 2.85Å; Y297-I301 WeakPolarHBondContact O-CB 3.29Å; Y297-I301 VanDerWaalsContact O-CD1 3.32Å; Y297-I301 WeakPolarHBondContact O-CD1 3.35Å; Y297-I301 WeakPolarHBondContact O-CG1 3.32Å; Y297-I301 PolarHBondContact O-N 2.61Å; Y297-L325 HydrophobicContact CE1-CD2 4.24Å; Y297-L325 HydrophobicContact CE2-CD2 4.33Å; Y297-L325 WeakPolarHBondContact OH-CD2 3.48Å; Y297-G329 WeakPolarHBondContact CE1-O 3.16Å; Y297-C331 HydrophobicContact CD1-CB 3.99Å; Y297-C331 HydrophobicContact CG-CB 4.45Å
298T98.7Very high96.8Very high0 Ų019.4 Ų19.40%09%0.091CC..Hα-helixtrans-65.8-37.7177.5-57.80000111.2I294 I295 H296 Q300 I301 A302 L377 I381 M384 W456 F457I294-T298 WeakPolarHBondContact O-CB 3.17Å; I294-T298 PolarHBondContact O-N 3.07Å; I294-T298 PolarHBondContact O-OG1 3.29Å; I295-T298 PolarHBondContact O-N 2.94Å; H296-T298 VanDerWaalsContact C-N 3.31Å; H296-T298 PolarHBondContact O-N 3.11Å; T298-Q300 VanDerWaalsContact C-N 3.33Å; T298-Q300 PolarHBondContact O-N 3.34Å; T298-I301 PolarHBondContact O-N 2.86Å; T298-A302 VanDerWaalsContact O-CB 3.23Å; T298-A302 WeakPolarHBondContact O-CB 3.22Å; T298-A302 PolarHBondContact O-N 3.3Å; T298-L377 HydrophobicContact CG2-CD1 4.14Å; T298-L377 HydrophobicContact CG2-CD2 4.34Å; T298-L377 HydrophobicContact CG2-CG 4.44Å; T298-I381 HydrophobicContact CG2-CD1 3.59Å; T298-I381 HydrophobicContact CG2-CG1 3.79Å; T298-M384 WeakPolarHBondContact OG1-CE 3.15Å; T298-W456 HydrophobicContact CG2-CH2 4.19Å; T298-W456 HydrophobicContact CG2-CZ3 3.74Å; T298-F457 HydrophobicContact CG2-CE1 3.88Å; T298-F457 HydrophobicContact CG2-CZ 3.75Å
299A98.7Very high97.1Very high0 Ų020.5 Ų20.50%010%0.096CC..Hα-helixtrans-63-40.717500000111.7I295 H296 Y297 T303 F457 I460 F462 L465I295-A299 WeakPolarHBondContact O-CB 3.41Å; I295-A299 PolarHBondContact O-N 3.32Å; H296-A299 WeakPolarHBondContact O-CB 3.46Å; H296-A299 PolarHBondContact O-N 2.87Å; Y297-A299 VanDerWaalsContact C-N 3.33Å; Y297-A299 PolarHBondContact O-N 3.39Å; A299-T303 WeakPolarHBondContact O-CB 3.38Å; A299-T303 PolarHBondContact O-N 3.03Å; A299-T303 VanDerWaalsContact O-N 3.07Å; A299-T303 PolarHBondContact O-OG1 3.34Å; A299-F457 HydrophobicContact CB-CD1 4Å; A299-F457 HydrophobicContact CB-CE1 4.01Å; A299-I460 HydrophobicContact CB-CG1 4.07Å; A299-I460 HydrophobicContact CB-CG2 3.98Å; A299-F462 HydrophobicContact CB-CE1 3.76Å; A299-F462 HydrophobicContact CB-CZ 3.93Å; A299-L465 HydrophobicContact CB-CD2 3.73Å
300Q98.7Very high97.2Very high6 Ų624.5 Ų24.53%0.02813%0.129CC..Hα-helixtrans-66.7-48175-66.5-173.5-55.700112.3F245 H296 Y297 T298 A302 T303 G304 C331 L465F245-Q300 WeakPolarHBondContact CB-O 3.31Å; F245-Q300 HydrophobicContact CD1-CB 3.73Å; F245-Q300 HydrophobicContact CD1-CG 3.94Å; F245-Q300 HydrophobicContact CE1-CB 4.12Å; F245-Q300 HydrophobicContact CE1-CG 3.86Å; H296-Q300 WeakPolarHBondContact O-CG 3.37Å; H296-Q300 PolarHBondContact O-N 2.89Å; H296-Q300 VanDerWaalsContact O-N 3.14Å; Y297-Q300 PolarHBondContact O-N 2.85Å; T298-Q300 VanDerWaalsContact C-N 3.33Å; T298-Q300 PolarHBondContact O-N 3.34Å; Q300-A302 PolarHBondContact O-N 3.17Å; Q300-T303 PolarHBondContact O-N 3.16Å; Q300-G304 PolarHBondContact O-N 3.48Å; Q300-C331 VanDerWaalsContact CB-SG 3.58Å; Q300-C331 PolarHBondContact OE1-SG 3.07Å; Q300-L465 HydrophobicContact CG-CD1 3.94Å; Q300-L465 HydrophobicContact CG-CD2 4.3Å; Q300-L465 HydrophobicContact CG-CG 4.44Å
301I98.8Very high97.3Very high2 Ų224.1 Ų24.11%0.0113%0.128CC..Hα-helixtrans-58.7-48.6177.1-69.2157.9000110.5Y297 T298 T303 G304 I305 M318 V323 L333 L377Y297-I301 WeakPolarHBondContact O-CB 3.29Å; Y297-I301 VanDerWaalsContact O-CD1 3.32Å; Y297-I301 WeakPolarHBondContact O-CD1 3.35Å; Y297-I301 WeakPolarHBondContact O-CG1 3.32Å; Y297-I301 PolarHBondContact O-N 2.61Å; T298-I301 PolarHBondContact O-N 2.86Å; I301-T303 VanDerWaalsContact C-N 3.27Å; I301-T303 PolarHBondContact O-N 2.96Å; I301-G304 PolarHBondContact O-N 2.9Å; I301-G304 VanDerWaalsContact O-N 3.16Å; I301-I305 HydrophobicContact CG2-CD1 3.77Å; I301-I305 HydrophobicContact CG2-CG1 4.32Å; I301-I305 WeakPolarHBondContact O-CG1 3.46Å; I301-I305 PolarHBondContact O-N 3.33Å; I301-M318 HydrophobicContact CD1-CE 3.86Å; I301-M318 HydrophobicContact CG1-CE 4.34Å; I301-M318 HydrophobicContact CG2-CE 3.8Å; I301-M318 HydrophobicContact CG2-SD 3.64Å; I301-V323 HydrophobicContact CD1-CG1 4.17Å; I301-V323 HydrophobicContact CD1-CG2 3.88Å; I301-V323 HydrophobicContact CG1-CG1 4.27Å; I301-V323 HydrophobicContact CG1-CG2 4.11Å; I301-L333 HydrophobicContact CG1-CD2 4.23Å; I301-L333 HydrophobicContact CG2-CD2 4.08Å; I301-L377 HydrophobicContact CB-CD1 4.25Å; I301-L377 HydrophobicContact CG2-CD1 3.54Å; I301-L377 HydrophobicContact CG2-CD2 4.48Å
302A98.6Very high97.4Very high0 Ų024.9 Ų24.90%013%0.133CC..Hα-helixtrans-59.8-39.9178.600000111.5T298 Q300 I305 L306 W374 L377 R452T298-A302 VanDerWaalsContact O-CB 3.23Å; T298-A302 WeakPolarHBondContact O-CB 3.22Å; T298-A302 PolarHBondContact O-N 3.3Å; Q300-A302 PolarHBondContact O-N 3.17Å; A302-I305 PolarHBondContact O-N 3.28Å; A302-L306 WeakPolarHBondContact O-CB 3.36Å; A302-L306 WeakPolarHBondContact O-CG 3.46Å; A302-L306 PolarHBondContact O-N 3.4Å; A302-W374 HydrophobicContact CB-CZ3 4.2Å; A302-L377 HydrophobicContact CB-CD2 4.23Å; A302-R452 HydrophobicContact CB-CG 4.32Å
303T98.6Very high97.5Very high9 Ų918 Ų186%0.05510%0.103CC..Hα-helixtrans-67.6-38.7176.6-52.90000111.9F245 A299 Q300 I301 L306 H307 E466F245-T303 HydrophobicContact CD2-CG2 3.43Å; F245-T303 VanDerWaalsContact CD2-CG2 3.43Å; F245-T303 HydrophobicContact CE2-CG2 3.25Å; F245-T303 HydrophobicContact CG-CG2 4.34Å; F245-T303 HydrophobicContact CZ-CG2 4.04Å; A299-T303 WeakPolarHBondContact O-CB 3.38Å; A299-T303 PolarHBondContact O-N 3.03Å; A299-T303 VanDerWaalsContact O-N 3.07Å; A299-T303 PolarHBondContact O-OG1 3.34Å; Q300-T303 PolarHBondContact O-N 3.16Å; I301-T303 VanDerWaalsContact C-N 3.27Å; I301-T303 PolarHBondContact O-N 2.96Å; T303-L306 PolarHBondContact O-N 3.36Å; T303-H307 PolarHBondContact O-N 3.32Å; T303-E466 HydrophobicContact CG2-CG 3.85Å
304G98.4Very high97.6Very high0 Ų017.7 Ų17.70%010%0.102CC..Hα-helixtrans-63.7-42.417200000113.4Q300 I301 H307 L308Q300-G304 PolarHBondContact O-N 3.48Å; I301-G304 PolarHBondContact O-N 2.9Å; I301-G304 VanDerWaalsContact O-N 3.16Å; G304-H307 WeakPolarHBondContact O-CB 3.44Å; G304-H307 PolarHBondContact O-N 3.34Å; G304-L308 PolarHBondContact O-N 2.89Å
305I98.5Very high97.7Very high0 Ų017.6 Ų17.60%010%0.102CC..Hα-helixtrans-63.3-46.7175.5-70.1173.3000110.5I301 A302 H307 L308 H309 M318 L333 D373 W374 L377I301-I305 HydrophobicContact CG2-CD1 3.77Å; I301-I305 HydrophobicContact CG2-CG1 4.32Å; I301-I305 WeakPolarHBondContact O-CG1 3.46Å; I301-I305 PolarHBondContact O-N 3.33Å; A302-I305 PolarHBondContact O-N 3.28Å; I305-H307 VanDerWaalsContact C-N 3.27Å; I305-H307 PolarHBondContact O-N 3.02Å; I305-L308 PolarHBondContact O-N 3.15Å; I305-L308 VanDerWaalsContact O-N 3.15Å; I305-H309 WeakPolarHBondContact CG2-CE1 3.46Å; I305-H309 WeakPolarHBondContact CG2-NE2 3.47Å; I305-H309 PolarHBondContact O-CD2 2.93Å; I305-H309 VanDerWaalsContact O-CG 3.27Å; I305-H309 PolarHBondContact O-N 3.35Å; I305-M318 HydrophobicContact CD1-CG 4.4Å; I305-L333 HydrophobicContact CG1-CD1 3.89Å; I305-D373 HydrophobicContact CD1-CB 4.35Å; I305-D373 HydrophobicContact CG2-CB 3.98Å; I305-W374 HydrophobicContact CB-CH2 3.91Å; I305-W374 HydrophobicContact CB-CZ3 4.16Å; I305-W374 HydrophobicContact CD1-CZ3 4.27Å; I305-W374 HydrophobicContact CG2-CD2 4.46Å; I305-W374 HydrophobicContact CG2-CE3 4.32Å; I305-W374 HydrophobicContact CG2-CH2 3.46Å; I305-W374 VanDerWaalsContact CG2-CH2 3.46Å; I305-W374 HydrophobicContact CG2-CZ2 3.67Å; I305-W374 HydrophobicContact CG2-CZ3 3.84Å; I305-L377 HydrophobicContact CD1-CB 4.41Å; I305-L377 HydrophobicContact CD1-CD2 4.34Å
306L97.6Very high97.6Very high42 Ų4217.6 Ų17.622%0.2210%0.1CC..Hα-helixtrans-59.4-38.5176.8-76167.6000112.1A302 T303 H309 A310 W374 R452A302-L306 WeakPolarHBondContact O-CB 3.36Å; A302-L306 WeakPolarHBondContact O-CG 3.46Å; A302-L306 PolarHBondContact O-N 3.4Å; T303-L306 PolarHBondContact O-N 3.36Å; L306-H309 PolarHBondContact O-N 2.99Å; L306-A310 WeakPolarHBondContact O-CB 3.49Å; L306-A310 PolarHBondContact O-N 3.4Å; L306-W374 HydrophobicContact CD2-CH2 4.13Å; L306-W374 HydrophobicContact CD2-CZ2 3.84Å; L306-W374 HydrophobicContact CG-CH2 3.91Å; L306-W374 HydrophobicContact CG-CZ2 4.13Å; L306-R452 HydrophobicContact CD1-CG 4.08Å
307H97.6Very high97.6Very high55 Ų5517.8 Ų17.826%0.25510%0.102SC..Hα-helixtrans-60.7-45.6175.1-177.290.1000112N242 T303 G304 I305N242-H307 PolarHBondContact N-NE2 3.14Å; N242-H307 PolarHBondContact O-CE1 3.43Å; T303-H307 PolarHBondContact O-N 3.32Å; G304-H307 WeakPolarHBondContact O-CB 3.44Å; G304-H307 PolarHBondContact O-N 3.34Å; I305-H307 VanDerWaalsContact C-N 3.27Å; I305-H307 PolarHBondContact O-N 3.02Å
308L97.8Very high97.5Very high0 Ų017.9 Ų17.90%010%0.102CC..Hα-helixtrans-62.9-44.7175.3-66.3174.6000111.4V241 L246 G304 I305 A310 M311 D312 I313 Y315 L336V241-L308 HydrophobicContact CG1-CD2 3.65Å; L246-L308 HydrophobicContact CD1-CD2 3.68Å; L246-L308 HydrophobicContact CD1-CG 4.01Å; L246-L308 HydrophobicContact CD2-CD1 4.05Å; L246-L308 HydrophobicContact CD2-CD2 4.4Å; L246-L308 HydrophobicContact CD2-CG 4.15Å; G304-L308 PolarHBondContact O-N 2.89Å; I305-L308 PolarHBondContact O-N 3.15Å; I305-L308 VanDerWaalsContact O-N 3.15Å; L308-A310 VanDerWaalsContact C-N 3.34Å; L308-A310 PolarHBondContact O-N 3.48Å; L308-M311 CarbonylContact O-C 3.17Å; L308-M311 WeakPolarHBondContact O-CA 3.45Å; L308-M311 WeakPolarHBondContact O-CB 3.49Å; L308-M311 PolarHBondContact O-N 3.17Å; L308-D312 PolarHBondContact O-N 3.35Å; L308-I313 CarbonylContact C-O 3.54Å; L308-I313 HydrophobicContact CB-CB 4.2Å; L308-I313 HydrophobicContact CB-CG2 4.32Å; L308-I313 HydrophobicContact CD2-CB 4.37Å; L308-I313 HydrophobicContact CD2-CD1 4.5Å; L308-I313 HydrophobicContact CD2-CG2 4.04Å; L308-I313 WeakPolarHBondContact O-CB 3.14Å; L308-I313 PolarHBondContact O-N 2.93Å; L308-Y315 HydrophobicContact CD1-CD2 4.38Å; L308-Y315 HydrophobicContact CD1-CG 4.14Å; L308-L336 HydrophobicContact CD1-CD2 4.34Å
309H96.1Very high97.5Very high24 Ų2419.1 Ų19.111%0.11111%0.107CC..Hα-helixtrans-65-36.1-178.5-68.7-175.8000112.6I305 L306 M311 D312 I313 T370 D373 W374I305-H309 WeakPolarHBondContact CG2-CE1 3.46Å; I305-H309 WeakPolarHBondContact CG2-NE2 3.47Å; I305-H309 PolarHBondContact O-CD2 2.93Å; I305-H309 VanDerWaalsContact O-CG 3.27Å; I305-H309 PolarHBondContact O-N 3.35Å; L306-H309 PolarHBondContact O-N 2.99Å; H309-M311 PolarHBondContact O-N 2.89Å; H309-M311 VanDerWaalsContact O-N 3.17Å; H309-D312 PolarHBondContact O-N 3.35Å; H309-I313 PolarHBondContact CD2-O 3.45Å; H309-T370 HydrophobicContact CB-CG2 3.91Å; H309-T370 VanDerWaalsContact CD2-CG2 3.47Å; H309-T370 WeakPolarHBondContact CD2-CG2 3.39Å; H309-T370 WeakPolarHBondContact CE1-CB 3.37Å; H309-T370 PolarHBondContact CE1-O 3.17Å; H309-T370 VanDerWaalsContact CG-CG2 3.43Å; H309-T370 WeakPolarHBondContact ND1-CB 3.38Å; H309-D373 IonicContact CD2-OD2 2.77Å; H309-D373 IonicContact CE1-OD2 3.68Å; H309-D373 IonicContact NE2-OD2 2.75Å; H309-D373 PolarHBondContact NE2-OD2 2.92Å; H309-W374 AromaticContact CE1-CE2 3.82Å; H309-W374 AromaticContact CE1-CZ2 3.93Å; H309-W374 AromaticContact CE1-NE1 3.75Å; H309-W374 AromaticContact ND1-CE2 3.91Å; H309-W374 AromaticContact ND1-CZ2 3.73Å; H309-W374 AromaticContact ND1-NE1 3.81Å
310A94.7Very high97.4Very high88 Ų8819.1 Ų19.173%0.72711%0.107SC*.THydrogen-bonded Turntrans-63.1-17.3173.800000113.2L306 L308L306-A310 WeakPolarHBondContact O-CB 3.49Å; L306-A310 PolarHBondContact O-N 3.4Å; L308-A310 VanDerWaalsContact C-N 3.34Å; L308-A310 PolarHBondContact O-N 3.48Å
311M95.2Very high97.2Very high60 Ų6021.3 Ų21.330%0.29612%0.118SC..THydrogen-bonded Turntrans-105.815.1175.7-60.4173.765.600112.3K240 V241 L308 H309 I313K240-M311 HydrophobicContact CB-CE 3.76Å; K240-M311 WeakPolarHBondContact O-CE 3.46Å; V241-M311 HydrophobicContact CG1-CE 4.14Å; V241-M311 HydrophobicContact CG1-SD 4.11Å; L308-M311 CarbonylContact O-C 3.17Å; L308-M311 WeakPolarHBondContact O-CA 3.45Å; L308-M311 WeakPolarHBondContact O-CB 3.49Å; L308-M311 PolarHBondContact O-N 3.17Å; H309-M311 PolarHBondContact O-N 2.89Å; H309-M311 VanDerWaalsContact O-N 3.17Å; M311-I313 HydrophobicContact CB-CD1 3.86Å; M311-I313 HydrophobicContact CB-CG1 4.3Å; M311-I313 HydrophobicContact CE-CD1 4.16Å; M311-I313 PolarHBondContact O-N 3.46Å; M311-I313 VanDerWaalsContact O-N 3.17Å
312D95.5Very high97.1Very high53 Ų5321.8 Ų21.828%0.28312%0.12SC..THydrogen-bonded Turntrans58.523-175.7-74.9-56.8000114.4L308 H309 E341 V342 R369L308-D312 PolarHBondContact O-N 3.35Å; H309-D312 PolarHBondContact O-N 3.35Å; D312-E341 WeakPolarHBondContact O-CA 3.41Å; D312-V342 WeakPolarHBondContact CB-O 3.47Å; D312-V342 PolarHBondContact O-N 2.98Å; D312-R369 IonicContact OD1-CZ 2.67Å; D312-R369 IonicContact OD1-NH2 2.78Å; D312-R369 PolarHBondContact OD1-NH2 2.91Å
313I97.4Very high97.1Very high1 Ų121.8 Ų21.81%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-95.5123.5177.6-63.9158000109.5I237 V241 L308 H309 M311 A339 I340 E341I237-I313 HydrophobicContact CD1-CG2 4.42Å; I237-I313 HydrophobicContact CG2-CD1 4.11Å; I237-I313 HydrophobicContact CG2-CG2 4.24Å; V241-I313 HydrophobicContact CG1-CD1 3.98Å; L308-I313 CarbonylContact C-O 3.54Å; L308-I313 HydrophobicContact CB-CB 4.2Å; L308-I313 HydrophobicContact CB-CG2 4.32Å; L308-I313 HydrophobicContact CD2-CB 4.37Å; L308-I313 HydrophobicContact CD2-CD1 4.5Å; L308-I313 HydrophobicContact CD2-CG2 4.04Å; L308-I313 WeakPolarHBondContact O-CB 3.14Å; L308-I313 PolarHBondContact O-N 2.93Å; H309-I313 PolarHBondContact CD2-O 3.45Å; M311-I313 HydrophobicContact CB-CD1 3.86Å; M311-I313 HydrophobicContact CB-CG1 4.3Å; M311-I313 HydrophobicContact CE-CD1 4.16Å; M311-I313 PolarHBondContact O-N 3.46Å; M311-I313 VanDerWaalsContact O-N 3.17Å; I313-A339 HydrophobicContact CG2-CB 4.09Å; I313-I340 CarbonylContact C-O 3.55Å; I313-I340 VanDerWaalsContact CA-O 3.31Å; I313-I340 WeakPolarHBondContact CA-O 3.41Å; I313-E341 HydrophobicContact CG1-CB 4.3Å; I313-E341 HydrophobicContact CG1-CG 4.48Å
314V97.6Very high97Very high1 Ų123.3 Ų23.31%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-96.5125.9171.8-170.20000108.5R316 A339 I340 V342 R369 T370 V372V314-R316 HydrophobicContact CB-CG 4.09Å; V314-R316 HydrophobicContact CG1-CG 3.5Å; V314-R316 VanDerWaalsContact CG1-CG 3.5Å; V314-A339 VanDerWaalsContact O-CA 3.22Å; V314-A339 WeakPolarHBondContact O-CA 3.39Å; V314-I340 HydrophobicContact CB-CG1 4.35Å; V314-I340 PolarHBondContact N-O 3.3Å; V314-I340 PolarHBondContact O-N 2.94Å; V314-V342 HydrophobicContact CG2-CG2 3.76Å; V314-R369 WeakPolarHBondContact CG1-O 3.07Å; V314-T370 HydrophobicContact CG2-CG2 4.29Å; V314-V372 HydrophobicContact CG1-CG2 3.68Å
315Y97.9Very high96.9Very high0 Ų023.3 Ų23.30%013%0.128CC..  trans-75.9-44.7-172.2178.6-144.1000112.8L308 D317 M318 N322 L333 S334 L336 A339 D373L308-Y315 HydrophobicContact CD1-CD2 4.38Å; L308-Y315 HydrophobicContact CD1-CG 4.14Å; Y315-D317 PolarHBondContact O-N 3.19Å; Y315-D317 VanDerWaalsContact O-N 3.08Å; Y315-M318 HydrophobicContact CD1-CB 3.87Å; Y315-M318 HydrophobicContact CE1-CB 3.91Å; Y315-M318 HydrophobicContact CE1-SD 4.23Å; Y315-N322 WeakPolarHBondContact OH-CB 3.24Å; Y315-L333 HydrophobicContact CD1-CD1 4.31Å; Y315-L333 HydrophobicContact CE1-CB 4.39Å; Y315-L333 HydrophobicContact CE1-CD1 4.22Å; Y315-L333 HydrophobicContact CE1-CD2 4.01Å; Y315-L333 HydrophobicContact CE1-CG 4.45Å; Y315-S334 PolarHBondContact OH-O 3Å; Y315-L336 HydrophobicContact CD2-CD2 3.58Å; Y315-L336 HydrophobicContact CE2-CD2 3.65Å; Y315-A339 WeakPolarHBondContact O-CA 3.29Å; Y315-A339 PolarHBondContact O-N 3.26Å; Y315-D373 PolarHBondContact N-OD1 3.31Å; Y315-D373 PolarHBondContact N-OD2 3.35Å
316R97.4Very high96.7Very high22 Ų2224.4 Ų24.48%0.08313%0.134CC..  trans63.11.3173.8-53.2-166.8-60.2175.7-0.9117.4V314 L338 Q350 G353 Y368 V372 D373V314-R316 HydrophobicContact CB-CG 4.09Å; V314-R316 HydrophobicContact CG1-CG 3.5Å; V314-R316 VanDerWaalsContact CG1-CG 3.5Å; R316-L338 PolarHBondContact NE-O 3.44Å; R316-L338 PolarHBondContact NH2-O 2.92Å; R316-Q350 VanDerWaalsContact NH1-OE1 3.14Å; R316-G353 VanDerWaalsContact O-CA 3.24Å; R316-G353 WeakPolarHBondContact O-CA 3.43Å; R316-Y368 WeakPolarHBondContact CD-OH 3.3Å; R316-Y368 HydrophobicContact CG-CE2 4.49Å; R316-Y368 PolarHBondContact NH1-OH 3.01Å; R316-V372 HydrophobicContact CG-CG2 4.28Å; R316-D373 PolarHBondContact N-OD1 3.44Å
317D96.4Very high96.4Very high10 Ų1024.9 Ų24.95%0.05314%0.141CC..  trans-139.138.3177.3-155.134.2000113Y315 K319 N322 L338 T354Y315-D317 PolarHBondContact O-N 3.19Å; Y315-D317 VanDerWaalsContact O-N 3.08Å; D317-K319 VanDerWaalsContact CG-NZ 3.26Å; D317-K319 PolarHBondContact O-N 2.65Å; D317-K319 IonicContact OD1-NZ 3.81Å; D317-K319 PolarHBondContact OD1-NZ 3.3Å; D317-K319 IonicContact OD2-NZ 3.96Å; D317-K319 PolarHBondContact OD2-NZ 3.49Å; D317-N322 VanDerWaalsContact CG-ND2 3.35Å; D317-N322 PolarHBondContact O-ND2 2.77Å; D317-N322 PolarHBondContact OD2-ND2 2.88Å; D317-L338 HydrophobicContact CB-CB 4.28Å; D317-L338 HydrophobicContact CB-CD1 4.01Å; D317-T354 PolarHBondContact OD1-OG1 3.32Å
318M97.9Very high96.2Very high2 Ų227.9 Ų27.91%0.0116%0.155CC..  trans-65.4116.7170.817858.5-14600110.8I301 I305 Y315 V323 L333 A376 L377I301-M318 HydrophobicContact CD1-CE 3.86Å; I301-M318 HydrophobicContact CG1-CE 4.34Å; I301-M318 HydrophobicContact CG2-CE 3.8Å; I301-M318 HydrophobicContact CG2-SD 3.64Å; I305-M318 HydrophobicContact CD1-CG 4.4Å; Y315-M318 HydrophobicContact CD1-CB 3.87Å; Y315-M318 HydrophobicContact CE1-CB 3.91Å; Y315-M318 HydrophobicContact CE1-SD 4.23Å; M318-V323 HydrophobicContact CE-CG2 3.56Å; M318-V323 HydrophobicContact SD-CG2 4.23Å; M318-L333 HydrophobicContact SD-CD2 3.57Å; M318-L333 VanDerWaalsContact SD-CD2 3.57Å; M318-A376 HydrophobicContact CB-CB 3.75Å; M318-A376 HydrophobicContact CG-CB 4.23Å; M318-L377 HydrophobicContact CE-CD1 4.33Å
319K97.5Very high96.1Very high26 Ų2627.9 Ų27.911%0.11316%0.155CC..SBendtrans-164.2158.9176.364-167.8-175-142.90109.9D317 E321 N322 T354 Y357D317-K319 VanDerWaalsContact CG-NZ 3.26Å; D317-K319 PolarHBondContact O-N 2.65Å; D317-K319 IonicContact OD1-NZ 3.81Å; D317-K319 PolarHBondContact OD1-NZ 3.3Å; D317-K319 IonicContact OD2-NZ 3.96Å; D317-K319 PolarHBondContact OD2-NZ 3.49Å; K319-E321 HydrophobicContact CD-CB 4.38Å; K319-E321 HydrophobicContact CG-CB 4.17Å; K319-E321 WeakPolarHBondContact CG-OE2 3.46Å; K319-E321 PolarHBondContact O-N 3.37Å; K319-N322 WeakPolarHBondContact CE-ND2 3.45Å; K319-N322 WeakPolarHBondContact CE-OD1 3.43Å; K319-N322 HydrophobicContact CG-CB 4.31Å; K319-N322 PolarHBondContact O-N 3.17Å; K319-T354 HydrophobicContact CD-CG2 4.32Å; K319-T354 WeakPolarHBondContact CD-OG1 3.4Å; K319-T354 PolarHBondContact NZ-OG1 2.77Å; K319-Y357 HydrophobicContact CB-CD1 4.21Å; K319-Y357 HydrophobicContact CB-CD2 4.01Å; K319-Y357 HydrophobicContact CB-CE1 3.97Å; K319-Y357 HydrophobicContact CB-CE2 3.72Å; K319-Y357 HydrophobicContact CB-CG 4.23Å; K319-Y357 HydrophobicContact CD-CE2 4.5Å
320P97.3Very high96.1Very high0 Ų028.2 Ų28.20%016%0.156CC..G310 helixtrans-58.1-29.4-179.1-27.537.6000115.1L271 K272 I275 N322 V323 Y357 E383L271-P320 HydrophobicContact CB-CB 4.11Å; L271-P320 WeakPolarHBondContact CB-O 3.3Å; L271-P320 HydrophobicContact CD2-CB 4.31Å; L271-P320 HydrophobicContact CG-CB 4.2Å; L271-P320 PolarHBondContact N-O 3.21Å; K272-P320 HydrophobicContact CB-CB 4.07Å; K272-P320 PolarHBondContact N-O 2.92Å; I275-P320 HydrophobicContact CD1-CB 3.72Å; I275-P320 HydrophobicContact CD1-CG 3.75Å; P320-N322 PolarHBondContact O-N 2.71Å; P320-V323 PolarHBondContact O-N 2.79Å; P320-Y357 WeakPolarHBondContact CD-OH 3.43Å; P320-E383 WeakPolarHBondContact CG-OE2 3.5Å
321E94.7Very high96.2Very high53 Ų5324 Ų2425%0.24812%0.122CC..G310 helixtrans-61.6-28.9175.3-67.391.4157.200113.9K272 K319K272-E321 HydrophobicContact CB-CG 4.12Å; K272-E321 HydrophobicContact CD-CG 3.46Å; K272-E321 VanDerWaalsContact CD-CG 3.46Å; K272-E321 VanDerWaalsContact CD-OE1 3.31Å; K272-E321 WeakPolarHBondContact CD-OE1 3.49Å; K272-E321 HydrophobicContact CG-CG 4.46Å; K272-E321 IonicContact NZ-OE1 2.74Å; K272-E321 PolarHBondContact NZ-OE1 3.25Å; K319-E321 HydrophobicContact CD-CB 4.38Å; K319-E321 HydrophobicContact CG-CB 4.17Å; K319-E321 WeakPolarHBondContact CG-OE2 3.46Å; K319-E321 PolarHBondContact O-N 3.37Å
322N97Very high96.4Very high12 Ų1222.8 Ų22.86%0.06411%0.114CC..G310 helixtrans-99.12.1-176.2-65.3-8.2000112.7Y315 D317 K319 P320 S334Y315-N322 WeakPolarHBondContact OH-CB 3.24Å; D317-N322 VanDerWaalsContact CG-ND2 3.35Å; D317-N322 PolarHBondContact O-ND2 2.77Å; D317-N322 PolarHBondContact OD2-ND2 2.88Å; K319-N322 WeakPolarHBondContact CE-ND2 3.45Å; K319-N322 WeakPolarHBondContact CE-OD1 3.43Å; K319-N322 HydrophobicContact CG-CB 4.31Å; K319-N322 PolarHBondContact O-N 3.17Å; P320-N322 PolarHBondContact O-N 2.71Å; N322-S334 PolarHBondContact O-N 3.42Å; N322-S334 PolarHBondContact O-OG 3.43Å
323V98.1Very high96.5Very high0 Ų020.3 Ų20.30%010%0.101CC..EExtended strand (participates in β ladder)trans-97.1113.8171.2-178.70000107.8D270 L271 I301 M318 P320 C331 L333D270-V323 CarbonylContact C-O 3.58Å; D270-V323 WeakPolarHBondContact CA-O 3.44Å; L271-V323 HydrophobicContact CB-CB 3.81Å; L271-V323 HydrophobicContact CB-CG1 4.09Å; L271-V323 HydrophobicContact CD2-CB 3.99Å; L271-V323 HydrophobicContact CD2-CG1 3.98Å; L271-V323 HydrophobicContact CD2-CG2 4.23Å; L271-V323 PolarHBondContact N-O 3.21Å; I301-V323 HydrophobicContact CD1-CG1 4.17Å; I301-V323 HydrophobicContact CD1-CG2 3.88Å; I301-V323 HydrophobicContact CG1-CG1 4.27Å; I301-V323 HydrophobicContact CG1-CG2 4.11Å; M318-V323 HydrophobicContact CE-CG2 3.56Å; M318-V323 HydrophobicContact SD-CG2 4.23Å; P320-V323 PolarHBondContact O-N 2.79Å; V323-C331 HydrophobicContact CG1-CB 3.68Å; V323-L333 HydrophobicContact CG2-CD2 3.96Å
324L97.1Very high96.5Very high40 Ų4020.8 Ų20.821%0.20910%0.104CC..EExtended strand (participates in β ladder)trans-108.5147.1-177.7-52.8-179.7000110.5M266 D270 C331 R332 S334M266-L324 HydrophobicContact CB-CB 3.48Å; M266-L324 VanDerWaalsContact CB-CB 3.48Å; M266-L324 HydrophobicContact CB-CD1 3.92Å; M266-L324 HydrophobicContact CB-CG 4.34Å; M266-L324 HydrophobicContact CE-CB 4.11Å; M266-L324 WeakPolarHBondContact CE-O 2.97Å; M266-L324 HydrophobicContact CG-CB 3.69Å; M266-L324 HydrophobicContact CG-CD1 3.9Å; M266-L324 HydrophobicContact CG-CG 4.45Å; D270-L324 HydrophobicContact CB-CD2 3.68Å; L324-C331 CarbonylContact O-C 3.52Å; L324-C331 WeakPolarHBondContact O-CA 3.21Å; L324-R332 PolarHBondContact N-O 3.37Å; L324-R332 PolarHBondContact O-N 3.2Å; L324-S334 WeakPolarHBondContact CD1-OG 3.27Å; L324-S334 WeakPolarHBondContact CG-OG 3.28Å
325L96.5Very high96.2Very high0 Ų023.7 Ų23.70%012%0.12CC..EExtended strand (participates in β ladder)trans-102.6142.4176-73.975.1000111.2M266 N267 G268 G269 L271 Y297 Q330 C331 W474M266-L325 CarbonylContact C-O 3.34Å; M266-L325 VanDerWaalsContact C-O 3.29Å; M266-L325 WeakPolarHBondContact CA-O 3.45Å; M266-L325 WeakPolarHBondContact CB-O 3.41Å; N267-L325 PolarHBondContact N-O 2.83Å; G268-L325 VanDerWaalsContact CA-O 3.3Å; G268-L325 WeakPolarHBondContact CA-O 3.12Å; G268-L325 PolarHBondContact N-O 3.4Å; G269-L325 PolarHBondContact O-N 2.82Å; L271-L325 HydrophobicContact CB-CD1 4.45Å; L271-L325 HydrophobicContact CD1-CD1 4.49Å; Y297-L325 HydrophobicContact CE1-CD2 4.24Å; Y297-L325 HydrophobicContact CE2-CD2 4.33Å; Y297-L325 WeakPolarHBondContact OH-CD2 3.48Å; L325-Q330 CarbonylContact C-O 3.6Å; L325-Q330 WeakPolarHBondContact CA-O 3.12Å; L325-C331 HydrophobicContact CD1-CB 4.44Å; L325-C331 HydrophobicContact CG-CB 4.34Å; L325-W474 HydrophobicContact CD2-CE3 3.96Å; L325-W474 HydrophobicContact CD2-CZ3 3.88Å
326D94.2Very high96Very high23 Ų2323.9 Ų23.912%0.12312%0.121CC..  trans-90-174.7171.669.620.7000112M266 Q328 G329 Q330 P476M266-D326 HydrophobicContact CE-CB 3.88Å; M266-D326 HydrophobicContact SD-CB 4.18Å; D326-Q328 PolarHBondContact O-N 2.82Å; D326-Q328 WeakPolarHBondContact OD1-CA 3.4Å; D326-Q328 PolarHBondContact OD1-N 3.1Å; D326-G329 PolarHBondContact O-N 2.8Å; D326-G329 VanDerWaalsContact O-N 3.12Å; D326-G329 PolarHBondContact OD1-N 2.85Å; D326-Q330 PolarHBondContact N-O 2.97Å; D326-Q330 PolarHBondContact OD1-N 3.1Å; D326-P476 WeakPolarHBondContact O-CG 3.48Å
327S91.6Very high95.7Very high53 Ų5323.5 Ų23.537%0.37112%0.124SC..THydrogen-bonded Turntrans-70.7-22.6-174.363.70000112.6N267N267-S327 VanDerWaalsContact ND2-CB 3.34Å; N267-S327 WeakPolarHBondContact ND2-CB 3.31Å; N267-S327 WeakPolarHBondContact OD1-CA 3.26Å; N267-S327 VanDerWaalsContact OD1-CB 3.28Å; N267-S327 WeakPolarHBondContact OD1-CB 3.36Å; N267-S327 PolarHBondContact OD1-N 3.4Å
328Q92.8Very high95.6Very high118 Ų11825.3 Ų25.355%0.55113%0.133SC*.THydrogen-bonded Turntrans-87.4-15.4176.8-57.2-51.9-59.100110.8D326 Q330 P472D326-Q328 PolarHBondContact O-N 2.82Å; D326-Q328 WeakPolarHBondContact OD1-CA 3.4Å; D326-Q328 PolarHBondContact OD1-N 3.1Å; Q328-Q330 HydrophobicContact CB-CG 4.46Å; Q328-P472 WeakPolarHBondContact O-CG 3.3Å
329G94.7Very high95.6Very high0 Ų025.3 Ų25.30%013%0.134CC..SBendtrans93.313.7-178.600000113.6Y297 D326 W474Y297-G329 WeakPolarHBondContact CE1-O 3.16Å; D326-G329 PolarHBondContact O-N 2.8Å; D326-G329 VanDerWaalsContact O-N 3.12Å; D326-G329 PolarHBondContact OD1-N 2.85Å; G329-W474 WeakPolarHBondContact CA-O 3.36Å
330Q96.8Very high95.5Very high30 Ų3025.1 Ų25.114%0.1413%0.134CC..  trans-81.5145.9169.8-52.2-64-5.100109.6H296 L325 D326 Q328 V470H296-Q330 PolarHBondContact NE2-OE1 3.28Å; L325-Q330 CarbonylContact C-O 3.6Å; L325-Q330 WeakPolarHBondContact CA-O 3.12Å; D326-Q330 PolarHBondContact N-O 2.97Å; D326-Q330 PolarHBondContact OD1-N 3.1Å; Q328-Q330 HydrophobicContact CB-CG 4.46Å; Q330-V470 PolarHBondContact NE2-O 3.2Å
331C97.3Very high95.4Very high1 Ų129.9 Ų29.91%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-104.5150-179.785.60000113Y297 Q300 V323 L324 L325Y297-C331 HydrophobicContact CD1-CB 3.99Å; Y297-C331 HydrophobicContact CG-CB 4.45Å; Q300-C331 VanDerWaalsContact CB-SG 3.58Å; Q300-C331 PolarHBondContact OE1-SG 3.07Å; V323-C331 HydrophobicContact CG1-CB 3.68Å; L324-C331 CarbonylContact O-C 3.52Å; L324-C331 WeakPolarHBondContact O-CA 3.21Å; L325-C331 HydrophobicContact CD1-CB 4.44Å; L325-C331 HydrophobicContact CG-CB 4.34Å
332R98.3Very high95.4Very high33 Ų3327.6 Ų27.613%0.12515%0.145CC..EExtended strand (participates in β ladder)trans-137.2145.9176-55.6-178.7-179.4-116.9-3.7110.7S243 L244 F245 L246 V247 M266 L324S243-R332 PolarHBondContact O-NH1 3.21Å; L244-R332 WeakPolarHBondContact O-CG 3.4Å; L244-R332 PolarHBondContact O-NE 3.25Å; L244-R332 PolarHBondContact O-NH1 2.82Å; L244-R332 VanDerWaalsContact O-NH1 3.12Å; F245-R332 CarbonylContact O-C 3.54Å; F245-R332 WeakPolarHBondContact O-CA 3.27Å; L246-R332 WeakPolarHBondContact O-CD 3.38Å; L246-R332 PolarHBondContact O-NH1 2.97Å; V247-R332 HydrophobicContact CG1-CB 4.32Å; M266-R332 HydrophobicContact CE-CB 3.74Å; M266-R332 HydrophobicContact CE-CG 3.58Å; M266-R332 HydrophobicContact SD-CB 4.46Å; M266-R332 HydrophobicContact SD-CG 4.26Å; L324-R332 PolarHBondContact N-O 3.37Å; L324-R332 PolarHBondContact O-N 3.2Å
333L98.4Very high95.1Very high1 Ų132.5 Ų32.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-73.8141.9168.6-56.3172.2000110.1F245 L246 V247 I301 I305 Y315 M318 V323F245-L333 PolarHBondContact O-N 3.44Å; L246-L333 HydrophobicContact CD2-CB 3.76Å; L246-L333 HydrophobicContact CD2-CD1 3.97Å; L246-L333 HydrophobicContact CD2-CG 4.29Å; V247-L333 PolarHBondContact N-O 3.16Å; I301-L333 HydrophobicContact CG1-CD2 4.23Å; I301-L333 HydrophobicContact CG2-CD2 4.08Å; I305-L333 HydrophobicContact CG1-CD1 3.89Å; Y315-L333 HydrophobicContact CD1-CD1 4.31Å; Y315-L333 HydrophobicContact CE1-CB 4.39Å; Y315-L333 HydrophobicContact CE1-CD1 4.22Å; Y315-L333 HydrophobicContact CE1-CD2 4.01Å; Y315-L333 HydrophobicContact CE1-CG 4.45Å; M318-L333 HydrophobicContact SD-CD2 3.57Å; M318-L333 VanDerWaalsContact SD-CD2 3.57Å; V323-L333 HydrophobicContact CG2-CD2 3.96Å
334S96.1Very high94.6Very high11 Ų1137.1 Ų37.18%0.07720%0.201CC..  trans-133.6176.5-179.1700000111.6Y315 N322 L324Y315-S334 PolarHBondContact OH-O 3Å; N322-S334 PolarHBondContact O-N 3.42Å; N322-S334 PolarHBondContact O-OG 3.43Å; L324-S334 WeakPolarHBondContact CD1-OG 3.27Å; L324-S334 WeakPolarHBondContact CG-OG 3.28Å
335D92.2Very high94.1Very high63 Ų6339 Ų3934%0.33723%0.229SC..  trans54.178.1178.4-158.510.7000114.3K215 G337K215-D335 IonicContact NZ-OD1 3.36Å; K215-D335 PolarHBondContact NZ-OD1 3.27Å; K215-D335 VanDerWaalsContact NZ-OD1 3.13Å; D335-G337 PolarHBondContact O-N 2.93Å
336L94.3Very high94Very high4 Ų445.2 Ų45.22%0.02126%0.257CS..G310 helixtrans-8515.6178.2-61.6177.9000112.5E234 I237 L238 V241 L308 Y315 L338 A339E234-L336 HydrophobicContact CG-CB 4.29Å; I237-L336 HydrophobicContact CG2-CB 4.32Å; I237-L336 HydrophobicContact CG2-CD1 3.61Å; I237-L336 HydrophobicContact CG2-CG 4.46Å; L238-L336 HydrophobicContact CD2-CD1 3.57Å; L238-L336 HydrophobicContact CD2-CG 4.27Å; L238-L336 HydrophobicContact CG-CD1 3.95Å; V241-L336 HydrophobicContact CG2-CD1 4.19Å; L308-L336 HydrophobicContact CD1-CD2 4.34Å; Y315-L336 HydrophobicContact CD2-CD2 3.58Å; Y315-L336 HydrophobicContact CE2-CD2 3.65Å; L336-L338 PolarHBondContact O-N 2.86Å; L336-L338 VanDerWaalsContact O-N 3.14Å; L336-A339 HydrophobicContact CB-CB 4.07Å; L336-A339 HydrophobicContact CD2-CB 4.19Å; L336-A339 WeakPolarHBondContact O-CB 3.43Å; L336-A339 PolarHBondContact O-N 3.33Å
337G91.2Very high94Very high14 Ų1448 Ų4814%0.14428%0.275CS..G310 helixtrans-61.8-21.6-176.800000115.1M230 D335M230-G337 VanDerWaalsContact CG-O 3.32Å; M230-G337 WeakPolarHBondContact CG-O 3.44Å; D335-G337 PolarHBondContact O-N 2.93Å
338L93.8Very high94.2Very high47 Ų4746.6 Ų46.625%0.24626%0.264CS..G310 helixtrans-104.6-3.8173.6-62.9-175.2000113.4R316 D317 L336R316-L338 PolarHBondContact NE-O 3.44Å; R316-L338 PolarHBondContact NH2-O 2.92Å; D317-L338 HydrophobicContact CB-CB 4.28Å; D317-L338 HydrophobicContact CB-CD1 4.01Å; L336-L338 PolarHBondContact O-N 2.86Å; L336-L338 VanDerWaalsContact O-N 3.14Å
339A96.8Very high94.4Very high3 Ų345 Ų453%0.02526%0.262CS..  trans-68.6150.4179.100000111I237 I313 V314 Y315 L336I237-A339 HydrophobicContact CD1-CB 3.73Å; I237-A339 WeakPolarHBondContact CD1-O 3.35Å; I313-A339 HydrophobicContact CG2-CB 4.09Å; V314-A339 VanDerWaalsContact O-CA 3.22Å; V314-A339 WeakPolarHBondContact O-CA 3.39Å; Y315-A339 WeakPolarHBondContact O-CA 3.29Å; Y315-A339 PolarHBondContact O-N 3.26Å; L336-A339 HydrophobicContact CB-CB 4.07Å; L336-A339 HydrophobicContact CD2-CB 4.19Å; L336-A339 WeakPolarHBondContact O-CB 3.43Å; L336-A339 PolarHBondContact O-N 3.33Å
340I96.1Very high94.3Very high22 Ų2250.3 Ų50.311%0.11329%0.287CS..EExtended strand (participates in β ladder)trans-142.4144.2176.351.8164.7000111I313 V314 V342 V348I313-I340 CarbonylContact C-O 3.55Å; I313-I340 VanDerWaalsContact CA-O 3.31Å; I313-I340 WeakPolarHBondContact CA-O 3.41Å; V314-I340 HydrophobicContact CB-CG1 4.35Å; V314-I340 PolarHBondContact N-O 3.3Å; V314-I340 PolarHBondContact O-N 2.94Å; I340-V342 HydrophobicContact CD1-CG2 3.7Å; I340-V342 HydrophobicContact CG1-CG2 4.02Å; I340-V348 HydrophobicContact CD1-CB 4.14Å; I340-V348 HydrophobicContact CD1-CG1 3.56Å; I340-V348 HydrophobicContact CD1-CG2 3.82Å
341E95.7Very high94.2Very high99 Ų9954.7 Ų54.746%0.46331%0.309SS..EExtended strand (participates in β ladder)trans-83.6125.1166.4-170.6176.5163.200109.2K240 D312 I313K240-E341 IonicContact NZ-OE1 2.72Å; K240-E341 IonicContact NZ-OE2 3.06Å; K240-E341 PolarHBondContact NZ-OE2 3.2Å; D312-E341 WeakPolarHBondContact O-CA 3.41Å; I313-E341 HydrophobicContact CG1-CB 4.3Å; I313-E341 HydrophobicContact CG1-CG 4.48Å
342V94Very high93.9Very high5 Ų555.3 Ų55.33%0.0331%0.314CS..  trans-113.5106.5-178.7-175.10000108.9D312 V314 I340 K346 V348 R369D312-V342 WeakPolarHBondContact CB-O 3.47Å; D312-V342 PolarHBondContact O-N 2.98Å; V314-V342 HydrophobicContact CG2-CG2 3.76Å; I340-V342 HydrophobicContact CD1-CG2 3.7Å; I340-V342 HydrophobicContact CG1-CG2 4.02Å; V342-K346 HydrophobicContact CG1-CB 4.27Å; V342-K346 WeakPolarHBondContact CG1-O 3.42Å; V342-V348 HydrophobicContact CG2-CG1 4.08Å; V342-R369 HydrophobicContact CG1-CG 4.46Å; V342-R369 PolarHBondContact O-NH2 3.13Å
343L91.3Very high93.6Very high116 Ų11654.8 Ų54.861%0.60732%0.319SS*.  trans-45.3142.5-179.5-63.2176.4000112.7G345 K346 R369L343-G345 PolarHBondContact O-N 2.89Å; L343-K346 HydrophobicContact CB-CB 4.36Å; L343-K346 HydrophobicContact CB-CG 3.89Å; L343-K346 WeakPolarHBondContact O-CB 3.38Å; L343-K346 PolarHBondContact O-N 3.02Å; L343-R369 PolarHBondContact O-NH1 3.36Å
344P87.9Confident93.3Very high97 Ų9756.9 Ų56.963%0.6333%0.332SS*.THydrogen-bonded Turntrans-47.5132.3178.3-30.334.3000112.8K346P344-K346 PolarHBondContact O-N 3.32Å
345G85.4Confident93.1Very high78 Ų7857.6 Ų57.680%0.80434%0.341SS*.THydrogen-bonded Turntrans72.51.4-178.900000116.2L343L343-G345 PolarHBondContact O-N 2.89Å
346K94.6Very high93.1Very high131 Ų13155.6 Ų55.657%0.5733%0.333SS*.  trans-95.8168.3173.5-57-57.3-176.3-175.90112.7V342 L343 P344 R369V342-K346 HydrophobicContact CG1-CB 4.27Å; V342-K346 WeakPolarHBondContact CG1-O 3.42Å; L343-K346 HydrophobicContact CB-CB 4.36Å; L343-K346 HydrophobicContact CB-CG 3.89Å; L343-K346 WeakPolarHBondContact O-CB 3.38Å; L343-K346 PolarHBondContact O-N 3.02Å; P344-K346 PolarHBondContact O-N 3.32Å; K346-R369 VanDerWaalsContact N-NH1 3.14Å; K346-R369 VanDerWaalsContact O-CD 3.31Å; K346-R369 WeakPolarHBondContact O-CD 3.48Å; K346-R369 WeakPolarHBondContact O-CG 3.47Å; K346-R369 PolarHBondContact O-NH1 3.41Å
347T95.5Very high93.3Very high83 Ų8356.1 Ų56.151%0.50934%0.335SS..  trans-139162178.354.20000109.6P367 R369T347-P367 HydrophobicContact CG2-CB 4.2Å; T347-P367 WeakPolarHBondContact OG1-CB 3.36Å; T347-R369 HydrophobicContact CG2-CG 4.19Å
348V95.6Very high93.6Very high23 Ų2356.3 Ų56.314%0.13933%0.332CS..BIsolated β-bridgetrans-119.3157.8171.8-65.20000111.7I340 V342 P367 Y368I340-V348 HydrophobicContact CD1-CB 4.14Å; I340-V348 HydrophobicContact CD1-CG1 3.56Å; I340-V348 HydrophobicContact CD1-CG2 3.82Å; V342-V348 HydrophobicContact CG2-CG1 4.08Å; V348-P367 WeakPolarHBondContact O-CA 3.15Å; V348-Y368 HydrophobicContact CG2-CD1 4.35Å; V348-Y368 HydrophobicContact CG2-CD2 3.83Å; V348-Y368 HydrophobicContact CG2-CE1 3.98Å; V348-Y368 HydrophobicContact CG2-CE2 3.41Å; V348-Y368 VanDerWaalsContact CG2-CE2 3.41Å; V348-Y368 HydrophobicContact CG2-CG 4.28Å; V348-Y368 VanDerWaalsContact CG2-CZ 3.49Å; V348-Y368 PolarHBondContact N-O 3.06Å; V348-Y368 VanDerWaalsContact O-CD1 3.31Å; V348-Y368 WeakPolarHBondContact O-CD1 3.32Å; V348-Y368 PolarHBondContact O-N 3.43Å
349T95.4Very high93.8Very high84 Ų8454.1 Ų54.152%0.51532%0.321SS..  trans-126.96.3176.953.30000112.4P367T349-P367 HydrophobicContact CG2-CB 4.14Å; T349-P367 HydrophobicContact CG2-CG 3.92Å
350Q93.6Very high93.8Very high112 Ų11254.3 Ų54.352%0.52332%0.322SS..  trans-66.6133.8-177.8-65.6171.710.400110.5R316 A352 Y368R316-Q350 VanDerWaalsContact NH1-OE1 3.14Å; Q350-A352 PolarHBondContact O-N 2.93Å; Q350-Y368 WeakPolarHBondContact O-CE1 3.28Å; Q350-Y368 PolarHBondContact O-OH 3.04Å
351M94Very high93.9Very high121 Ų12153.5 Ų53.560%0.59632%0.318SS*.  trans-83.1101.4173.1-173.2177.566.100109.7M358 I362M351-M358 HydrophobicContact CG-CE 4.18Å; M351-M358 HydrophobicContact CG-SD 4.25Å; M351-I362 HydrophobicContact CB-CG2 4.37Å; M351-I362 HydrophobicContact CG-CG2 3.93Å
352A92Very high94Very high15 Ų1549.1 Ų49.112%0.12430%0.297CS..  trans-134153.6178.800000110.3Q350Q350-A352 PolarHBondContact O-N 2.93Å
353G91.4Very high94.1Very high21 Ų2150.2 Ų50.222%0.21630%0.303CS..SBendtrans114.4-176.8179.200000113.6R316 M358R316-G353 VanDerWaalsContact O-CA 3.24Å; R316-G353 WeakPolarHBondContact O-CA 3.43Å; G353-M358 WeakPolarHBondContact O-CE 3.48Å
354T91.9Very high94.3Very high46 Ų4647.7 Ų47.728%0.28230%0.295SS..  trans-94.8129.2-178.6-59.70000110.5D317 K319 A356 Y357 M358D317-T354 PolarHBondContact OD1-OG1 3.32Å; K319-T354 HydrophobicContact CD-CG2 4.32Å; K319-T354 WeakPolarHBondContact CD-OG1 3.4Å; K319-T354 PolarHBondContact NZ-OG1 2.77Å; T354-A356 VanDerWaalsContact C-N 3.31Å; T354-A356 PolarHBondContact O-N 2.86Å; T354-Y357 HydrophobicContact CG2-CD2 3.78Å; T354-Y357 HydrophobicContact CG2-CE2 3.91Å; T354-Y357 PolarHBondContact O-N 2.97Å; T354-M358 PolarHBondContact O-N 3.2Å
355G91.6Very high94.7Very high26 Ų2650.7 Ų50.727%0.26830%0.298SS..G310 helixtrans-52.6-35.9-164.400000116.8Y357G355-Y357 VanDerWaalsContact C-N 3.27Å; G355-Y357 PolarHBondContact O-N 2.78Å
356A93.5Very high95.2Very high20 Ų2050 Ų5017%0.16528%0.278CS..G310 helixtrans-75.5-12.4179.300000114.4T354 T389T354-A356 VanDerWaalsContact C-N 3.31Å; T354-A356 PolarHBondContact O-N 2.86Å; A356-T389 HydrophobicContact CB-CG2 4.18Å
357Y97.4Very high95.3Very high16 Ų1646.9 Ų46.96%0.06327%0.271CS..G310 helixtrans-114.7-1-178.4-50.1-94.1000112.3K319 P320 T354 G355 A359 W375 C379 E383 T389K319-Y357 HydrophobicContact CB-CD1 4.21Å; K319-Y357 HydrophobicContact CB-CD2 4.01Å; K319-Y357 HydrophobicContact CB-CE1 3.97Å; K319-Y357 HydrophobicContact CB-CE2 3.72Å; K319-Y357 HydrophobicContact CB-CG 4.23Å; K319-Y357 HydrophobicContact CD-CE2 4.5Å; P320-Y357 WeakPolarHBondContact CD-OH 3.43Å; T354-Y357 HydrophobicContact CG2-CD2 3.78Å; T354-Y357 HydrophobicContact CG2-CE2 3.91Å; T354-Y357 PolarHBondContact O-N 2.97Å; G355-Y357 VanDerWaalsContact C-N 3.27Å; G355-Y357 PolarHBondContact O-N 2.78Å; Y357-A359 PolarHBondContact O-N 2.79Å; Y357-W375 VanDerWaalsContact O-CD1 3.31Å; Y357-C379 HydrophobicContact CD1-CB 3.75Å; Y357-C379 HydrophobicContact CE1-CB 4.43Å; Y357-E383 WeakPolarHBondContact CE1-OE2 3.44Å; Y357-E383 PolarHBondContact OH-OE2 2.72Å; Y357-T389 HydrophobicContact CE1-CG2 4.11Å
358M97.1Very high95.3Very high17 Ų1743.1 Ų43.18%0.08425%0.248CC..  trans-65.6131.4178.1-73.4-176177.100110.6M351 G353 T354 I362 L363 W375M351-M358 HydrophobicContact CG-CE 4.18Å; M351-M358 HydrophobicContact CG-SD 4.25Å; G353-M358 WeakPolarHBondContact O-CE 3.48Å; T354-M358 PolarHBondContact O-N 3.2Å; M358-I362 HydrophobicContact CB-CG2 4.48Å; M358-I362 HydrophobicContact CG-CG2 4.37Å; M358-I362 HydrophobicContact SD-CG2 4.15Å; M358-L363 HydrophobicContact CB-CD2 3.97Å; M358-L363 HydrophobicContact CB-CG 4.31Å; M358-L363 HydrophobicContact SD-CD2 3.86Å; M358-W375 PolarHBondContact O-NE1 3.38Å
359A98Very high95.3Very high1 Ų144.4 Ų44.41%0.00825%0.25CS..  trans-70.9155176.500000112.1Y357 E361 I362 L363 V372 W375Y357-A359 PolarHBondContact O-N 2.79Å; A359-E361 HydrophobicContact CB-CG 4.24Å; A359-E361 VanDerWaalsContact CB-OE2 3.32Å; A359-E361 WeakPolarHBondContact CB-OE2 3.5Å; A359-E361 PolarHBondContact O-N 2.57Å; A359-I362 HydrophobicContact CB-CG1 4.46Å; A359-I362 WeakPolarHBondContact O-CB 3.44Å; A359-I362 PolarHBondContact O-N 3.42Å; A359-L363 PolarHBondContact O-N 3.13Å; A359-V372 HydrophobicContact CB-CB 4.13Å; A359-V372 HydrophobicContact CB-CG1 3.99Å; A359-W375 VanDerWaalsContact CA-CD1 3.43Å; A359-W375 HydrophobicContact CB-CB 3.7Å; A359-W375 HydrophobicContact CB-CD2 4.2Å; A359-W375 HydrophobicContact CB-CG 3.61Å
360P98.1Very high95.3Very high8 Ų841.5 Ų41.55%0.05223%0.233CC..Hα-helixtrans-52.1-42178.6-30.538.1000113.1I362 L363 S364 W375 I410 L411 K436P360-I362 VanDerWaalsContact C-N 3.28Å; P360-I362 PolarHBondContact O-N 3.49Å; P360-L363 PolarHBondContact O-N 2.86Å; P360-L363 VanDerWaalsContact O-N 3.1Å; P360-S364 PolarHBondContact O-N 2.84Å; P360-S364 PolarHBondContact O-OG 2.92Å; P360-S364 VanDerWaalsContact O-OG 3.07Å; P360-W375 VanDerWaalsContact CD-CE3 3.46Å; P360-W375 HydrophobicContact CG-CD2 4.43Å; P360-W375 HydrophobicContact CG-CE3 4.03Å; P360-W375 HydrophobicContact CG-CH2 3.51Å; P360-W375 HydrophobicContact CG-CZ2 3.96Å; P360-W375 HydrophobicContact CG-CZ3 3.53Å; P360-I410 HydrophobicContact CG-CG2 4.02Å; P360-L411 HydrophobicContact CB-CD2 4.06Å; P360-K436 HydrophobicContact CG-CB 4.19Å; P360-K436 HydrophobicContact CG-CG 4.26Å
361E97.9Very high95.5Very high5 Ų536.2 Ų36.22%0.02321%0.208CC..Hα-helixtrans-63.7-29.3179.661.7-94.5-142.800113.8A359 S364 K365 T366 Y368 S371 V372 I438 R441A359-E361 HydrophobicContact CB-CG 4.24Å; A359-E361 VanDerWaalsContact CB-OE2 3.32Å; A359-E361 WeakPolarHBondContact CB-OE2 3.5Å; A359-E361 PolarHBondContact O-N 2.57Å; E361-S364 WeakPolarHBondContact CA-OG 3.32Å; E361-S364 PolarHBondContact O-OG 2.82Å; E361-K365 CarbonylContact O-C 3.6Å; E361-K365 PolarHBondContact O-N 3.04Å; E361-K365 VanDerWaalsContact O-N 3.16Å; E361-T366 HydrophobicContact CB-CG2 4.34Å; E361-T366 PolarHBondContact O-N 2.98Å; E361-Y368 HydrophobicContact CG-CG 4.43Å; E361-S371 WeakPolarHBondContact OE1-CB 3.48Å; E361-S371 PolarHBondContact OE1-OG 3.27Å; E361-V372 HydrophobicContact CG-CG1 3.88Å; E361-I438 HydrophobicContact CB-CD1 3.94Å; E361-I438 HydrophobicContact CB-CG1 4.47Å; E361-I438 HydrophobicContact CG-CD1 3.94Å; E361-I438 HydrophobicContact CG-CG1 4.37Å; E361-R441 IonicContact OE1-CZ 2.7Å; E361-R441 IonicContact OE1-NH1 3.11Å; E361-R441 PolarHBondContact OE1-NH1 3.48Å; E361-R441 IonicContact OE1-NH2 3.55Å; E361-R441 IonicContact OE2-CZ 2.7Å; E361-R441 IonicContact OE2-NH1 2.76Å; E361-R441 PolarHBondContact OE2-NH1 2.9Å; E361-R441 IonicContact OE2-NH2 3.99Å; E361-R441 PolarHBondContact OE2-NH2 3.18Å
362I97.4Very high95.7Very high7 Ų730.7 Ų30.74%0.03618%0.181CC..Hα-helixtrans-69.2-44.7173.7-63.3-179.2000109.4M351 M358 A359 P360 K365 Y368 V372M351-I362 HydrophobicContact CB-CG2 4.37Å; M351-I362 HydrophobicContact CG-CG2 3.93Å; M358-I362 HydrophobicContact CB-CG2 4.48Å; M358-I362 HydrophobicContact CG-CG2 4.37Å; M358-I362 HydrophobicContact SD-CG2 4.15Å; A359-I362 HydrophobicContact CB-CG1 4.46Å; A359-I362 WeakPolarHBondContact O-CB 3.44Å; A359-I362 PolarHBondContact O-N 3.42Å; P360-I362 VanDerWaalsContact C-N 3.28Å; P360-I362 PolarHBondContact O-N 3.49Å; I362-K365 PolarHBondContact O-N 3.38Å; I362-Y368 HydrophobicContact CG1-CD1 4.18Å; I362-Y368 HydrophobicContact CG1-CE1 3.9Å; I362-V372 HydrophobicContact CD1-CB 3.89Å; I362-V372 HydrophobicContact CD1-CG1 3.72Å; I362-V372 HydrophobicContact CD1-CG2 4.45Å; I362-V372 HydrophobicContact CG1-CB 4.4Å; I362-V372 HydrophobicContact CG1-CG1 3.67Å
363L96.3Very high96Very high28 Ų2830 Ų3015%0.14718%0.175CC..Hα-helixtrans-70.2-36.3-177.7-59.3-177.3000112.2M358 A359 P360 K365 Q407 I410 L411M358-L363 HydrophobicContact CB-CD2 3.97Å; M358-L363 HydrophobicContact CB-CG 4.31Å; M358-L363 HydrophobicContact SD-CD2 3.86Å; A359-L363 PolarHBondContact O-N 3.13Å; P360-L363 PolarHBondContact O-N 2.86Å; P360-L363 VanDerWaalsContact O-N 3.1Å; L363-K365 VanDerWaalsContact C-N 3.27Å; L363-K365 PolarHBondContact O-N 3.27Å; L363-Q407 HydrophobicContact CD1-CB 4.05Å; L363-Q407 HydrophobicContact CD1-CG 4.01Å; L363-Q407 HydrophobicContact CD2-CG 3.93Å; L363-I410 HydrophobicContact CD1-CB 3.88Å; L363-I410 HydrophobicContact CD1-CD1 4Å; L363-I410 HydrophobicContact CD1-CG2 3.57Å; L363-L411 HydrophobicContact CB-CD2 4.2Å; L363-L411 HydrophobicContact CD1-CG 4.37Å
364S95.8Very high96.3Very high62 Ų6229.2 Ų29.243%0.43417%0.166SC..THydrogen-bonded Turntrans-82.90.4175.664.20000113.8P360 E361 T366P360-S364 PolarHBondContact O-N 2.84Å; P360-S364 PolarHBondContact O-OG 2.92Å; P360-S364 VanDerWaalsContact O-OG 3.07Å; E361-S364 WeakPolarHBondContact CA-OG 3.32Å; E361-S364 PolarHBondContact O-OG 2.82Å; S364-T366 PolarHBondContact O-N 3.49Å; S364-T366 PolarHBondContact OG-OG1 2.87Å
365K95.8Very high96.6Very high161 Ų16127 Ų2770%0.715%0.152SC*.THydrogen-bonded Turntrans56.627.8-175.5-53.8177.4-178.8175.70113.3E361 I362 L363E361-K365 CarbonylContact O-C 3.6Å; E361-K365 PolarHBondContact O-N 3.04Å; E361-K365 VanDerWaalsContact O-N 3.16Å; I362-K365 PolarHBondContact O-N 3.38Å; L363-K365 VanDerWaalsContact C-N 3.27Å; L363-K365 PolarHBondContact O-N 3.27Å
366T97.1Very high97Very high62 Ų6226 Ų2638%0.3814%0.141SC..  trans-73.3135.9174.2-59.60000108.9E361 S364 Y368E361-T366 HydrophobicContact CB-CG2 4.34Å; E361-T366 PolarHBondContact O-N 2.98Å; S364-T366 PolarHBondContact O-N 3.49Å; S364-T366 PolarHBondContact OG-OG1 2.87Å; T366-Y368 PolarHBondContact O-N 3.02Å
367P96.9Very high97.2Very high67 Ų6725 Ų2544%0.43513%0.134SC..  trans-57.8134.8176.9-23.232.7000112T347 V348 T349T347-P367 HydrophobicContact CG2-CB 4.2Å; T347-P367 WeakPolarHBondContact OG1-CB 3.36Å; V348-P367 WeakPolarHBondContact O-CA 3.15Å; T349-P367 HydrophobicContact CG2-CB 4.14Å; T349-P367 HydrophobicContact CG2-CG 3.92Å
368Y95.6Very high97.3Very high3 Ų324.3 Ų24.31%0.01213%0.131CC..BIsolated β-bridgetrans-138.1166.4-174.369.6-95000112.8R316 V348 Q350 E361 I362 T366 V372R316-Y368 WeakPolarHBondContact CD-OH 3.3Å; R316-Y368 HydrophobicContact CG-CE2 4.49Å; R316-Y368 PolarHBondContact NH1-OH 3.01Å; V348-Y368 HydrophobicContact CG2-CD1 4.35Å; V348-Y368 HydrophobicContact CG2-CD2 3.83Å; V348-Y368 HydrophobicContact CG2-CE1 3.98Å; V348-Y368 HydrophobicContact CG2-CE2 3.41Å; V348-Y368 VanDerWaalsContact CG2-CE2 3.41Å; V348-Y368 HydrophobicContact CG2-CG 4.28Å; V348-Y368 VanDerWaalsContact CG2-CZ 3.49Å; V348-Y368 PolarHBondContact N-O 3.06Å; V348-Y368 VanDerWaalsContact O-CD1 3.31Å; V348-Y368 WeakPolarHBondContact O-CD1 3.32Å; V348-Y368 PolarHBondContact O-N 3.43Å; Q350-Y368 WeakPolarHBondContact O-CE1 3.28Å; Q350-Y368 PolarHBondContact O-OH 3.04Å; E361-Y368 HydrophobicContact CG-CG 4.43Å; I362-Y368 HydrophobicContact CG1-CD1 4.18Å; I362-Y368 HydrophobicContact CG1-CE1 3.9Å; T366-Y368 PolarHBondContact O-N 3.02Å; Y368-V372 HydrophobicContact CD1-CG1 4.44Å; Y368-V372 HydrophobicContact CD2-CB 4.33Å; Y368-V372 HydrophobicContact CD2-CG1 3.37Å; Y368-V372 HydrophobicContact CD2-CG2 3.96Å; Y368-V372 HydrophobicContact CE2-CG1 3.89Å; Y368-V372 HydrophobicContact CE2-CG2 3.94Å; Y368-V372 HydrophobicContact CG-CG1 3.7Å
369R95.1Very high97.4Very high50 Ų5023.5 Ų23.519%0.18913%0.127CC..SBendtrans-131.5-117.5170.4-65.5-174.869.6101.40.9109.4D312 V314 V342 L343 K346 T347 S371D312-R369 IonicContact OD1-CZ 2.67Å; D312-R369 IonicContact OD1-NH2 2.78Å; D312-R369 PolarHBondContact OD1-NH2 2.91Å; V314-R369 WeakPolarHBondContact CG1-O 3.07Å; V342-R369 HydrophobicContact CG1-CG 4.46Å; V342-R369 PolarHBondContact O-NH2 3.13Å; L343-R369 PolarHBondContact O-NH1 3.36Å; K346-R369 VanDerWaalsContact N-NH1 3.14Å; K346-R369 VanDerWaalsContact O-CD 3.31Å; K346-R369 WeakPolarHBondContact O-CD 3.48Å; K346-R369 WeakPolarHBondContact O-CG 3.47Å; K346-R369 PolarHBondContact O-NH1 3.41Å; T347-R369 HydrophobicContact CG2-CG 4.19Å; R369-S371 VanDerWaalsContact C-N 3.34Å; R369-S371 PolarHBondContact O-N 3.37Å
370T95.6Very high97.4Very high24 Ų2423.4 Ų23.415%0.14713%0.126CC..THydrogen-bonded Turntrans-76.9-16.3-173.2490000114.2H309 V314 V372 D373H309-T370 HydrophobicContact CB-CG2 3.91Å; H309-T370 VanDerWaalsContact CD2-CG2 3.47Å; H309-T370 WeakPolarHBondContact CD2-CG2 3.39Å; H309-T370 WeakPolarHBondContact CE1-CB 3.37Å; H309-T370 PolarHBondContact CE1-O 3.17Å; H309-T370 VanDerWaalsContact CG-CG2 3.43Å; H309-T370 WeakPolarHBondContact ND1-CB 3.38Å; V314-T370 HydrophobicContact CG2-CG2 4.29Å; T370-V372 PolarHBondContact O-N 3.39Å; T370-V372 VanDerWaalsContact O-N 3.1Å; T370-D373 PolarHBondContact O-N 2.96Å
371S96.4Very high97.4Very high1 Ų123 Ų231%0.00712%0.124CC..Hα-helixtrans-55.5-31.8-175.660.40000114.6E361 R369 D373 W374 W375 R441 M444E361-S371 WeakPolarHBondContact OE1-CB 3.48Å; E361-S371 PolarHBondContact OE1-OG 3.27Å; R369-S371 VanDerWaalsContact C-N 3.34Å; R369-S371 PolarHBondContact O-N 3.37Å; S371-D373 VanDerWaalsContact C-N 3.29Å; S371-D373 PolarHBondContact O-N 2.94Å; S371-W374 PolarHBondContact O-N 3.25Å; S371-W375 PolarHBondContact O-N 2.78Å; S371-R441 VanDerWaalsContact C-NH1 3.34Å; S371-R441 PolarHBondContact O-NH1 3.04Å; S371-M444 VanDerWaalsContact CA-SD 3.52Å
372V98Very high97.4Very high5 Ų522.9 Ų22.93%0.0312%0.123CC..Hα-helixtrans-69-29-175-58.20000112.6V314 R316 A359 E361 I362 Y368 T370 A376V314-V372 HydrophobicContact CG1-CG2 3.68Å; R316-V372 HydrophobicContact CG-CG2 4.28Å; A359-V372 HydrophobicContact CB-CB 4.13Å; A359-V372 HydrophobicContact CB-CG1 3.99Å; E361-V372 HydrophobicContact CG-CG1 3.88Å; I362-V372 HydrophobicContact CD1-CB 3.89Å; I362-V372 HydrophobicContact CD1-CG1 3.72Å; I362-V372 HydrophobicContact CD1-CG2 4.45Å; I362-V372 HydrophobicContact CG1-CB 4.4Å; I362-V372 HydrophobicContact CG1-CG1 3.67Å; Y368-V372 HydrophobicContact CD1-CG1 4.44Å; Y368-V372 HydrophobicContact CD2-CB 4.33Å; Y368-V372 HydrophobicContact CD2-CG1 3.37Å; Y368-V372 HydrophobicContact CD2-CG2 3.96Å; Y368-V372 HydrophobicContact CE2-CG1 3.89Å; Y368-V372 HydrophobicContact CE2-CG2 3.94Å; Y368-V372 HydrophobicContact CG-CG1 3.7Å; T370-V372 PolarHBondContact O-N 3.39Å; T370-V372 VanDerWaalsContact O-N 3.1Å; V372-A376 WeakPolarHBondContact O-CB 3.37Å; V372-A376 PolarHBondContact O-N 3.43Å; V372-A376 VanDerWaalsContact O-N 3.13Å
373D98.5Very high97.4Very high1 Ų122.8 Ų22.81%0.00512%0.122CC..Hα-helixtrans-71.9-36.1179.3-63.2-30.9000110.9I305 H309 Y315 R316 T370 S371 A376 L377I305-D373 HydrophobicContact CD1-CB 4.35Å; I305-D373 HydrophobicContact CG2-CB 3.98Å; H309-D373 IonicContact CD2-OD2 2.77Å; H309-D373 IonicContact CE1-OD2 3.68Å; H309-D373 IonicContact NE2-OD2 2.75Å; H309-D373 PolarHBondContact NE2-OD2 2.92Å; Y315-D373 PolarHBondContact N-OD1 3.31Å; Y315-D373 PolarHBondContact N-OD2 3.35Å; R316-D373 PolarHBondContact N-OD1 3.44Å; T370-D373 PolarHBondContact O-N 2.96Å; S371-D373 VanDerWaalsContact C-N 3.29Å; S371-D373 PolarHBondContact O-N 2.94Å; D373-A376 PolarHBondContact O-N 2.76Å; D373-L377 WeakPolarHBondContact O-CB 3.18Å; D373-L377 PolarHBondContact O-N 3.47Å
374W98.5Very high97.4Very high3 Ų321.4 Ų21.41%0.01112%0.115CC..Hα-helixtrans-67.1-39.3175.5-63.1131.2000113A302 I305 L306 H309 S371 L377 G378 F433 P451A302-W374 HydrophobicContact CB-CZ3 4.2Å; I305-W374 HydrophobicContact CB-CH2 3.91Å; I305-W374 HydrophobicContact CB-CZ3 4.16Å; I305-W374 HydrophobicContact CD1-CZ3 4.27Å; I305-W374 HydrophobicContact CG2-CD2 4.46Å; I305-W374 HydrophobicContact CG2-CE3 4.32Å; I305-W374 HydrophobicContact CG2-CH2 3.46Å; I305-W374 VanDerWaalsContact CG2-CH2 3.46Å; I305-W374 HydrophobicContact CG2-CZ2 3.67Å; I305-W374 HydrophobicContact CG2-CZ3 3.84Å; L306-W374 HydrophobicContact CD2-CH2 4.13Å; L306-W374 HydrophobicContact CD2-CZ2 3.84Å; L306-W374 HydrophobicContact CG-CH2 3.91Å; L306-W374 HydrophobicContact CG-CZ2 4.13Å; H309-W374 AromaticContact CE1-CE2 3.82Å; H309-W374 AromaticContact CE1-CZ2 3.93Å; H309-W374 AromaticContact CE1-NE1 3.75Å; H309-W374 AromaticContact ND1-CE2 3.91Å; H309-W374 AromaticContact ND1-CZ2 3.73Å; H309-W374 AromaticContact ND1-NE1 3.81Å; S371-W374 PolarHBondContact O-N 3.25Å; W374-L377 HydrophobicContact CE3-CD2 3.94Å; W374-L377 HydrophobicContact CZ3-CD2 3.86Å; W374-L377 PolarHBondContact O-N 3.18Å; W374-G378 PolarHBondContact O-N 2.79Å; W374-F433 HydrophobicContact CB-CD1 3.92Å; W374-F433 HydrophobicContact CB-CE1 4.2Å; W374-F433 HydrophobicContact CD2-CE1 4.16Å; W374-F433 HydrophobicContact CE3-CD1 4.42Å; W374-F433 AromaticContact CE3-CE1 3.62Å; W374-F433 HydrophobicContact CE3-CE1 3.62Å; W374-F433 HydrophobicContact CE3-CZ 4.2Å; W374-F433 HydrophobicContact CG-CE1 4.41Å; W374-F433 HydrophobicContact CZ3-CE1 4.41Å; W374-P451 HydrophobicContact CE3-CG 4.23Å; W374-P451 HydrophobicContact CH2-CG 3.57Å; W374-P451 HydrophobicContact CZ2-CG 3.91Å; W374-P451 HydrophobicContact CZ3-CG 3.73Å
375W98.7Very high97.3Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-61-49.1172.4175-83.5000111.4Y357 M358 A359 P360 S371 L377 G378 C379 F391 I410 L434 K436Y357-W375 VanDerWaalsContact O-CD1 3.31Å; M358-W375 PolarHBondContact O-NE1 3.38Å; A359-W375 VanDerWaalsContact CA-CD1 3.43Å; A359-W375 HydrophobicContact CB-CB 3.7Å; A359-W375 HydrophobicContact CB-CD2 4.2Å; A359-W375 HydrophobicContact CB-CG 3.61Å; P360-W375 VanDerWaalsContact CD-CE3 3.46Å; P360-W375 HydrophobicContact CG-CD2 4.43Å; P360-W375 HydrophobicContact CG-CE3 4.03Å; P360-W375 HydrophobicContact CG-CH2 3.51Å; P360-W375 HydrophobicContact CG-CZ2 3.96Å; P360-W375 HydrophobicContact CG-CZ3 3.53Å; S371-W375 PolarHBondContact O-N 2.78Å; W375-L377 VanDerWaalsContact C-N 3.27Å; W375-L377 PolarHBondContact O-N 3.1Å; W375-G378 WeakPolarHBondContact O-CA 3.24Å; W375-G378 PolarHBondContact O-N 2.84Å; W375-C379 PolarHBondContact O-N 3.09Å; W375-F391 HydrophobicContact CH2-CE2 4.21Å; W375-F391 HydrophobicContact CH2-CZ 4.02Å; W375-F391 AromaticContact CZ2-CE2 3.53Å; W375-F391 HydrophobicContact CZ2-CE2 3.53Å; W375-F391 AromaticContact CZ2-CZ 3.83Å; W375-F391 HydrophobicContact CZ2-CZ 3.83Å; W375-I410 HydrophobicContact CH2-CG2 4.4Å; W375-I410 HydrophobicContact CZ2-CG2 3.79Å; W375-L434 HydrophobicContact CD2-CD2 3.72Å; W375-L434 HydrophobicContact CE3-CB 4.44Å; W375-L434 HydrophobicContact CE3-CD2 3.92Å; W375-L434 HydrophobicContact CG-CD2 4.19Å; W375-L434 HydrophobicContact CH2-CB 4.45Å; W375-L434 HydrophobicContact CH2-CD2 4.33Å; W375-L434 HydrophobicContact CZ2-CD2 4.13Å; W375-L434 HydrophobicContact CZ3-CB 4.16Å; W375-L434 HydrophobicContact CZ3-CD2 4.24Å; W375-L434 WeakPolarHBondContact CZ3-O 3.43Å; W375-L434 WeakPolarHBondContact O-CD2 3.27Å; W375-K436 HydrophobicContact CH2-CG 4.43Å; W375-K436 HydrophobicContact CZ3-CG 4.32Å
376A98.7Very high97.2Very high5 Ų511.3 Ų11.34%0.0417%0.065CC..Hα-helixtrans-63.7-33.1-179.600000112.4M318 V372 D373 C379 S380M318-A376 HydrophobicContact CB-CB 3.75Å; M318-A376 HydrophobicContact CG-CB 4.23Å; V372-A376 WeakPolarHBondContact O-CB 3.37Å; V372-A376 PolarHBondContact O-N 3.43Å; V372-A376 VanDerWaalsContact O-N 3.13Å; D373-A376 PolarHBondContact O-N 2.76Å; A376-C379 PolarHBondContact O-N 3.42Å; A376-S380 WeakPolarHBondContact O-CB 3.41Å; A376-S380 PolarHBondContact O-N 2.81Å; A376-S380 PolarHBondContact O-OG 2.69Å
377L98.8Very high97Very high0 Ų08.4 Ų8.40%05%0.047CC..Hα-helixtrans-63-45.7169.5-176.655.9000111.7T298 I301 A302 I305 M318 D373 W374 W375 C379 S380 I381 F433T298-L377 HydrophobicContact CG2-CD1 4.14Å; T298-L377 HydrophobicContact CG2-CD2 4.34Å; T298-L377 HydrophobicContact CG2-CG 4.44Å; I301-L377 HydrophobicContact CB-CD1 4.25Å; I301-L377 HydrophobicContact CG2-CD1 3.54Å; I301-L377 HydrophobicContact CG2-CD2 4.48Å; A302-L377 HydrophobicContact CB-CD2 4.23Å; I305-L377 HydrophobicContact CD1-CB 4.41Å; I305-L377 HydrophobicContact CD1-CD2 4.34Å; M318-L377 HydrophobicContact CE-CD1 4.33Å; D373-L377 WeakPolarHBondContact O-CB 3.18Å; D373-L377 PolarHBondContact O-N 3.47Å; W374-L377 HydrophobicContact CE3-CD2 3.94Å; W374-L377 HydrophobicContact CZ3-CD2 3.86Å; W374-L377 PolarHBondContact O-N 3.18Å; W375-L377 VanDerWaalsContact C-N 3.27Å; W375-L377 PolarHBondContact O-N 3.1Å; L377-C379 VanDerWaalsContact C-N 3.32Å; L377-C379 PolarHBondContact O-N 2.92Å; L377-S380 WeakPolarHBondContact O-CB 3.48Å; L377-S380 PolarHBondContact O-N 3.39Å; L377-I381 HydrophobicContact CD1-CD1 4.5Å; L377-I381 HydrophobicContact CD1-CG1 4.3Å; L377-I381 HydrophobicContact CG-CD1 4.14Å; L377-I381 HydrophobicContact CG-CG1 4.43Å; L377-I381 WeakPolarHBondContact O-CG1 3.48Å; L377-I381 PolarHBondContact O-N 3.36Å; L377-F433 HydrophobicContact CD2-CE1 4.49Å; L377-F433 HydrophobicContact CD2-CE2 4.18Å; L377-F433 HydrophobicContact CD2-CZ 3.93Å; L377-F433 HydrophobicContact CG-CE2 4.45Å
378G98.8Very high96.7Very high0 Ų06.3 Ų6.30%03%0.031CC..Hα-helixtrans-56.5-43.2174.300000113.1W374 W375 S380 Y382W374-G378 PolarHBondContact O-N 2.79Å; W375-G378 WeakPolarHBondContact O-CA 3.24Å; W375-G378 PolarHBondContact O-N 2.84Å; G378-S380 VanDerWaalsContact C-N 3.34Å; G378-S380 PolarHBondContact O-N 3.37Å; G378-Y382 PolarHBondContact O-N 2.81Å; G378-Y382 VanDerWaalsContact O-N 3.13Å
379C98.6Very high96.7Very high0 Ų06.6 Ų6.60%03%0.033CC..Hα-helixtrans-61.5-41.2172.9-73.30000112.3Y357 W375 A376 L377 Y382 E383 P390Y357-C379 HydrophobicContact CD1-CB 3.75Å; Y357-C379 HydrophobicContact CE1-CB 4.43Å; W375-C379 PolarHBondContact O-N 3.09Å; A376-C379 PolarHBondContact O-N 3.42Å; L377-C379 VanDerWaalsContact C-N 3.32Å; L377-C379 PolarHBondContact O-N 2.92Å; C379-Y382 PolarHBondContact O-N 2.64Å; C379-E383 PolarHBondContact O-N 2.78Å; C379-P390 HydrophobicContact CB-CG 4.25Å
380S98.6Very high96.7Very high0 Ų04.8 Ų4.80%03%0.028CC..Hα-helixtrans-69.4-38.7-179.3-58.10000112.3A376 L377 G378 E383 M384A376-S380 WeakPolarHBondContact O-CB 3.41Å; A376-S380 PolarHBondContact O-N 2.81Å; A376-S380 PolarHBondContact O-OG 2.69Å; L377-S380 WeakPolarHBondContact O-CB 3.48Å; L377-S380 PolarHBondContact O-N 3.39Å; G378-S380 VanDerWaalsContact C-N 3.34Å; G378-S380 PolarHBondContact O-N 3.37Å; S380-E383 PolarHBondContact O-N 2.8Å; S380-M384 WeakPolarHBondContact O-CG 3.45Å; S380-M384 PolarHBondContact O-N 2.65Å
381I98.6Very high96.6Very high0 Ų04 Ų40%02%0.022CC..Hα-helixtrans-61.7-47173.5-61.4164.6000109.8I294 T298 L377 E383 M384 V385 I430 F433 W456I294-I381 HydrophobicContact CG2-CG2 4.14Å; T298-I381 HydrophobicContact CG2-CD1 3.59Å; T298-I381 HydrophobicContact CG2-CG1 3.79Å; L377-I381 HydrophobicContact CD1-CD1 4.5Å; L377-I381 HydrophobicContact CD1-CG1 4.3Å; L377-I381 HydrophobicContact CG-CD1 4.14Å; L377-I381 HydrophobicContact CG-CG1 4.43Å; L377-I381 WeakPolarHBondContact O-CG1 3.48Å; L377-I381 PolarHBondContact O-N 3.36Å; I381-E383 VanDerWaalsContact C-N 3.29Å; I381-E383 PolarHBondContact O-N 2.67Å; I381-M384 HydrophobicContact CB-CE 4.46Å; I381-M384 HydrophobicContact CG1-CE 4.15Å; I381-M384 PolarHBondContact O-N 3.46Å; I381-V385 WeakPolarHBondContact O-CG2 3.21Å; I381-V385 PolarHBondContact O-N 3.17Å; I381-V385 VanDerWaalsContact O-N 3.13Å; I381-I430 HydrophobicContact CB-CD1 4.47Å; I381-I430 HydrophobicContact CB-CG1 4.05Å; I381-I430 HydrophobicContact CG2-CD1 3.85Å; I381-I430 HydrophobicContact CG2-CG1 3.66Å; I381-F433 HydrophobicContact CD1-CD2 3.87Å; I381-F433 HydrophobicContact CD1-CE2 3.82Å; I381-W456 HydrophobicContact CG2-CH2 4.4Å; I381-W456 HydrophobicContact CG2-CZ2 4.34Å
382Y98.1Very high96.2Very high2 Ų29 Ų91%0.0084%0.044CC..Hα-helixtrans-56.2-46.4176.4-175.6-73.4000111.4G378 C379 V385 A386 Y388 P390 P415 K416 W417 F422 I430G378-Y382 PolarHBondContact O-N 2.81Å; G378-Y382 VanDerWaalsContact O-N 3.13Å; C379-Y382 PolarHBondContact O-N 2.64Å; Y382-V385 PolarHBondContact O-N 2.77Å; Y382-A386 HydrophobicContact CD1-CB 4.17Å; Y382-A386 HydrophobicContact CE1-CB 3.74Å; Y382-A386 WeakPolarHBondContact O-CB 3.22Å; Y382-A386 PolarHBondContact O-N 3.33Å; Y382-Y388 VanDerWaalsContact CD1-O 3.27Å; Y382-Y388 WeakPolarHBondContact CD1-O 3.47Å; Y382-Y388 AromaticContact CE1-CD2 3.89Å; Y382-Y388 HydrophobicContact CE1-CD2 3.89Å; Y382-Y388 AromaticContact CE1-CE2 3.52Å; Y382-Y388 HydrophobicContact CE1-CE2 3.52Å; Y382-Y388 WeakPolarHBondContact CE1-O 3.43Å; Y382-Y388 AromaticContact CZ-CE2 3.89Å; Y382-Y388 VanDerWaalsContact OH-CE2 3.3Å; Y382-Y388 WeakPolarHBondContact OH-CE2 3.48Å; Y382-Y388 PolarHBondContact OH-OH 2.9Å; Y382-P390 HydrophobicContact CD1-CB 3.94Å; Y382-P390 HydrophobicContact CD1-CG 4.35Å; Y382-P390 HydrophobicContact CD2-CB 3.91Å; Y382-P390 HydrophobicContact CE1-CB 4.21Å; Y382-P390 HydrophobicContact CE2-CB 4.14Å; Y382-P390 HydrophobicContact CG-CB 3.82Å; Y382-P390 HydrophobicContact CG-CG 4.21Å; Y382-P415 HydrophobicContact CD2-CB 4.4Å; Y382-P415 HydrophobicContact CE2-CB 4.19Å; Y382-K416 VanDerWaalsContact CE2-O 3.28Å; Y382-K416 WeakPolarHBondContact CE2-O 3.11Å; Y382-K416 PolarHBondContact OH-O 3.11Å; Y382-W417 HydrophobicContact CD2-CE3 4.32Å; Y382-W417 HydrophobicContact CD2-CH2 4.5Å; Y382-W417 AromaticContact CD2-CZ3 3.82Å; Y382-W417 HydrophobicContact CD2-CZ3 3.82Å; Y382-W417 HydrophobicContact CE2-CE3 4.02Å; Y382-W417 AromaticContact CE2-CZ3 3.97Å; Y382-W417 HydrophobicContact CE2-CZ3 3.97Å; Y382-F422 HydrophobicContact CD1-CZ 4.2Å; Y382-F422 AromaticContact CD2-CE1 3.95Å; Y382-F422 HydrophobicContact CD2-CE1 3.95Å; Y382-F422 HydrophobicContact CD2-CE2 4.38Å; Y382-F422 AromaticContact CD2-CZ 3.52Å; Y382-F422 HydrophobicContact CD2-CZ 3.52Å; Y382-F422 HydrophobicContact CE1-CZ 4.12Å; Y382-F422 HydrophobicContact CE2-CE1 4.22Å; Y382-F422 AromaticContact CE2-CE2 3.86Å; Y382-F422 HydrophobicContact CE2-CE2 3.86Å; Y382-F422 AromaticContact CE2-CZ 3.45Å; Y382-F422 HydrophobicContact CE2-CZ 3.45Å; Y382-F422 VanDerWaalsContact CE2-CZ 3.45Å; Y382-F422 HydrophobicContact CG-CE1 4.39Å; Y382-F422 AromaticContact CG-CZ 3.9Å; Y382-F422 HydrophobicContact CG-CZ 3.9Å; Y382-F422 AromaticContact CZ-CE2 3.95Å; Y382-F422 AromaticContact CZ-CZ 3.75Å; Y382-I430 HydrophobicContact CD2-CG2 4.43Å
383E96.4Very high95.4Very high4 Ų49.4 Ų9.42%0.0195%0.05CC..Hα-helixtrans-67.4-37.5-179.7-174.5176.1-166.300113.3I275 Y276 P320 Y357 C379 S380 I381 V385 A386 G387 Y388 T389I275-E383 HydrophobicContact CD1-CG 4.35Å; I275-E383 HydrophobicContact CG2-CG 4.49Å; Y276-E383 WeakPolarHBondContact CE2-OE1 3.16Å; Y276-E383 PolarHBondContact OH-OE1 2.86Å; P320-E383 WeakPolarHBondContact CG-OE2 3.5Å; Y357-E383 WeakPolarHBondContact CE1-OE2 3.44Å; Y357-E383 PolarHBondContact OH-OE2 2.72Å; C379-E383 PolarHBondContact O-N 2.78Å; S380-E383 PolarHBondContact O-N 2.8Å; I381-E383 VanDerWaalsContact C-N 3.29Å; I381-E383 PolarHBondContact O-N 2.67Å; E383-V385 PolarHBondContact O-N 2.97Å; E383-A386 PolarHBondContact O-N 3.22Å; E383-G387 WeakPolarHBondContact O-CA 3.34Å; E383-G387 PolarHBondContact O-N 2.75Å; E383-Y388 WeakPolarHBondContact CA-O 3.45Å; E383-T389 HydrophobicContact CG-CG2 4.42Å
384M96.4Very high94.4Very high0 Ų010.5 Ų10.50%06%0.056CC..Hα-helixtrans-59.5-34.7172.2-78.5-171.7-79.600112.4L271 I275 G288 I289 I294 T298 S380 I381L271-M384 HydrophobicContact CD1-SD 4.46Å; L271-M384 HydrophobicContact CD2-CG 4.15Å; L271-M384 HydrophobicContact CD2-SD 3.73Å; I275-M384 HydrophobicContact CD1-CB 4.46Å; I275-M384 HydrophobicContact CD1-CG 3.76Å; I275-M384 HydrophobicContact CG1-CG 4.23Å; G288-M384 CarbonylContact C-O 3.59Å; G288-M384 WeakPolarHBondContact CA-O 3.32Å; I289-M384 HydrophobicContact CD1-CB 4.39Å; I289-M384 HydrophobicContact CD1-CG 4.14Å; I289-M384 HydrophobicContact CD1-SD 3.99Å; I289-M384 HydrophobicContact CG1-CB 4.22Å; I289-M384 HydrophobicContact CG1-CG 4.48Å; I289-M384 PolarHBondContact N-O 3.24Å; I294-M384 HydrophobicContact CB-SD 4.48Å; I294-M384 HydrophobicContact CD1-CB 3.87Å; I294-M384 HydrophobicContact CG1-CB 3.93Å; I294-M384 HydrophobicContact CG1-SD 4.48Å; I294-M384 HydrophobicContact CG2-CB 4.01Å; I294-M384 HydrophobicContact CG2-CE 3.86Å; I294-M384 HydrophobicContact CG2-SD 4.03Å; T298-M384 WeakPolarHBondContact OG1-CE 3.15Å; S380-M384 WeakPolarHBondContact O-CG 3.45Å; S380-M384 PolarHBondContact O-N 2.65Å; I381-M384 HydrophobicContact CB-CE 4.46Å; I381-M384 HydrophobicContact CG1-CE 4.15Å; I381-M384 PolarHBondContact O-N 3.46Å
385V95Very high93Very high4 Ų416.5 Ų16.52%0.0249%0.085CC..Hα-helixtrans-78.2-45.4178.3177.80000111.9M291 I294 I381 Y382 E383 H419 C421 F422 T426M291-V385 HydrophobicContact CE-CG2 4.14Å; I294-V385 HydrophobicContact CD1-CB 4.28Å; I294-V385 HydrophobicContact CD1-CG2 3.53Å; I381-V385 WeakPolarHBondContact O-CG2 3.21Å; I381-V385 PolarHBondContact O-N 3.17Å; I381-V385 VanDerWaalsContact O-N 3.13Å; Y382-V385 PolarHBondContact O-N 2.77Å; E383-V385 PolarHBondContact O-N 2.97Å; V385-H419 PolarHBondContact O-CE1 3.31Å; V385-H419 PolarHBondContact O-ND1 2.6Å; V385-H419 VanDerWaalsContact O-ND1 3.15Å; V385-C421 HydrophobicContact CG1-CB 3.94Å; V385-F422 HydrophobicContact CB-CD1 4.21Å; V385-F422 HydrophobicContact CB-CE1 3.6Å; V385-F422 HydrophobicContact CB-CZ 3.92Å; V385-F422 HydrophobicContact CG1-CD1 3.64Å; V385-F422 HydrophobicContact CG1-CD2 4.31Å; V385-F422 HydrophobicContact CG1-CE1 3.48Å; V385-F422 VanDerWaalsContact CG1-CE1 3.48Å; V385-F422 HydrophobicContact CG1-CE2 4.19Å; V385-F422 HydrophobicContact CG1-CG 4.04Å; V385-F422 HydrophobicContact CG1-CZ 3.77Å; V385-F422 HydrophobicContact CG2-CD1 4.44Å; V385-F422 HydrophobicContact CG2-CE1 4.03Å; V385-T426 HydrophobicContact CG2-CG2 3.97Å
386A92.8Very high91.1Very high7 Ų721.3 Ų21.36%0.05812%0.118CC..Hα-helixtrans-103.2-16.7-165.600000114.5Y382 E383 Y388 H419 F422Y382-A386 HydrophobicContact CD1-CB 4.17Å; Y382-A386 HydrophobicContact CE1-CB 3.74Å; Y382-A386 WeakPolarHBondContact O-CB 3.22Å; Y382-A386 PolarHBondContact O-N 3.33Å; E383-A386 PolarHBondContact O-N 3.22Å; A386-Y388 VanDerWaalsContact C-N 3.31Å; A386-Y388 HydrophobicContact CB-CD1 4.01Å; A386-Y388 HydrophobicContact CB-CE1 3.61Å; A386-Y388 HydrophobicContact CB-CE2 4.24Å; A386-Y388 HydrophobicContact CB-CG 4.47Å; A386-Y388 WeakPolarHBondContact O-CD1 3.47Å; A386-Y388 VanDerWaalsContact O-CE1 3.3Å; A386-Y388 WeakPolarHBondContact O-CE1 3.31Å; A386-H419 HydrophobicContact CB-CB 4Å; A386-F422 HydrophobicContact CB-CE2 3.97Å; A386-F422 HydrophobicContact CB-CZ 3.88Å
387G92Very high89.3Confident1 Ų126 Ų261%0.0114%0.138CC..SBendtrans72.123.2-174.800000114.3Y276 E383Y276-G387 WeakPolarHBondContact CE1-O 3.32Å; Y276-G387 PolarHBondContact OH-O 3.31Å; E383-G387 WeakPolarHBondContact O-CA 3.34Å; E383-G387 PolarHBondContact O-N 2.75Å
388Y92Very high87.1Confident23 Ų2335.7 Ų35.79%0.0918%0.18CC..SBendtrans-163.1159.1172.158.3-92.3000110.1Y382 E383 A386 G393 P394Y382-Y388 VanDerWaalsContact CD1-O 3.27Å; Y382-Y388 WeakPolarHBondContact CD1-O 3.47Å; Y382-Y388 AromaticContact CE1-CD2 3.89Å; Y382-Y388 HydrophobicContact CE1-CD2 3.89Å; Y382-Y388 AromaticContact CE1-CE2 3.52Å; Y382-Y388 HydrophobicContact CE1-CE2 3.52Å; Y382-Y388 WeakPolarHBondContact CE1-O 3.43Å; Y382-Y388 AromaticContact CZ-CE2 3.89Å; Y382-Y388 VanDerWaalsContact OH-CE2 3.3Å; Y382-Y388 WeakPolarHBondContact OH-CE2 3.48Å; Y382-Y388 PolarHBondContact OH-OH 2.9Å; E383-Y388 WeakPolarHBondContact CA-O 3.45Å; A386-Y388 VanDerWaalsContact C-N 3.31Å; A386-Y388 HydrophobicContact CB-CD1 4.01Å; A386-Y388 HydrophobicContact CB-CE1 3.61Å; A386-Y388 HydrophobicContact CB-CE2 4.24Å; A386-Y388 HydrophobicContact CB-CG 4.47Å; A386-Y388 WeakPolarHBondContact O-CD1 3.47Å; A386-Y388 VanDerWaalsContact O-CE1 3.3Å; A386-Y388 WeakPolarHBondContact O-CE1 3.31Å; Y388-G393 WeakPolarHBondContact CB-O 3.4Å; Y388-G393 VanDerWaalsContact CD2-CA 3.5Å; Y388-P394 HydrophobicContact CD1-CB 3.73Å; Y388-P394 HydrophobicContact CE1-CB 3.85Å; Y388-P394 HydrophobicContact CE1-CG 4.31Å; Y388-P394 HydrophobicContact CG-CB 4.17Å
389T94.2Very high85.2Confident9 Ų942 Ų426%0.05521%0.209CC..  trans-79.7151.6-178.261.60000112.8A356 Y357 E383 F391 K392 G393A356-T389 HydrophobicContact CB-CG2 4.18Å; Y357-T389 HydrophobicContact CE1-CG2 4.11Å; E383-T389 HydrophobicContact CG-CG2 4.42Å; T389-F391 VanDerWaalsContact C-N 3.27Å; T389-F391 PolarHBondContact O-N 3.44Å; T389-F391 VanDerWaalsContact O-N 3.11Å; T389-K392 PolarHBondContact O-N 3.31Å; T389-K392 WeakPolarHBondContact OG1-CB 3.35Å; T389-G393 PolarHBondContact O-N 2.93Å; T389-G393 VanDerWaalsContact O-N 3.14Å
390P95.1Very high83.7Confident11 Ų1150.1 Ų50.17%0.07125%0.245CC..THydrogen-bonded Turntrans-59.6-31.4-168.718.4-31.3000114.8C379 Y382 P415 L434C379-P390 HydrophobicContact CB-CG 4.25Å; Y382-P390 HydrophobicContact CD1-CB 3.94Å; Y382-P390 HydrophobicContact CD1-CG 4.35Å; Y382-P390 HydrophobicContact CD2-CB 3.91Å; Y382-P390 HydrophobicContact CE1-CB 4.21Å; Y382-P390 HydrophobicContact CE2-CB 4.14Å; Y382-P390 HydrophobicContact CG-CB 3.82Å; Y382-P390 HydrophobicContact CG-CG 4.21Å; P390-P415 HydrophobicContact CB-CB 4.12Å; P390-P415 HydrophobicContact CB-CG 4.42Å; P390-L434 HydrophobicContact CG-CD1 4.28Å
391F93.9Very high82.8Confident7 Ų751.1 Ų51.13%0.03125%0.251CS..THydrogen-bonded Turntrans-104.8-13.6-174.5-55.1-71.5000114W375 T389 V406 R409 I410 P415W375-F391 HydrophobicContact CH2-CE2 4.21Å; W375-F391 HydrophobicContact CH2-CZ 4.02Å; W375-F391 AromaticContact CZ2-CE2 3.53Å; W375-F391 HydrophobicContact CZ2-CE2 3.53Å; W375-F391 AromaticContact CZ2-CZ 3.83Å; W375-F391 HydrophobicContact CZ2-CZ 3.83Å; T389-F391 VanDerWaalsContact C-N 3.27Å; T389-F391 PolarHBondContact O-N 3.44Å; T389-F391 VanDerWaalsContact O-N 3.11Å; F391-V406 HydrophobicContact CB-CG1 4.26Å; F391-R409 HydrophobicContact CB-CB 4.06Å; F391-R409 HydrophobicContact CD1-CB 4.07Å; F391-R409 HydrophobicContact CG-CB 4.47Å; F391-R409 WeakPolarHBondContact O-CD 3.35Å; F391-R409 PolarHBondContact O-NH1 2.84Å; F391-I410 HydrophobicContact CB-CG1 4.01Å; F391-I410 HydrophobicContact CD1-CG1 4.39Å; F391-I410 HydrophobicContact CD2-CB 4.47Å; F391-I410 HydrophobicContact CD2-CD1 4.43Å; F391-I410 HydrophobicContact CD2-CG1 3.44Å; F391-I410 VanDerWaalsContact CD2-CG1 3.44Å; F391-I410 HydrophobicContact CE2-CG1 4Å; F391-I410 HydrophobicContact CG-CG1 3.67Å; F391-P415 HydrophobicContact CZ-CG 4.31Å
392K87.8Confident82.3Confident106 Ų10656 Ų5646%0.46127%0.274SS..THydrogen-bonded Turntrans-86.5-35.7173.5-164.4178.3178.4-171.50111.4T389T389-K392 PolarHBondContact O-N 3.31Å; T389-K392 WeakPolarHBondContact OG1-CB 3.35Å
393G81.2Confident81.7Confident15 Ų1561.3 Ų61.316%0.15530%0.296CS..  trans75.4177.3-176.200000113.2Y388 T389Y388-G393 WeakPolarHBondContact CB-O 3.4Å; Y388-G393 VanDerWaalsContact CD2-CA 3.5Å; T389-G393 PolarHBondContact O-N 2.93Å; T389-G393 VanDerWaalsContact O-N 3.14Å
394P78.8Confident81.5Confident23 Ų2367 Ų6715%0.14932%0.323CS..  trans-71.5142.2-175.227.5-33.8000112.3Y388 S396 K397Y388-P394 HydrophobicContact CD1-CB 3.73Å; Y388-P394 HydrophobicContact CE1-CB 3.85Å; Y388-P394 HydrophobicContact CE1-CG 4.31Å; Y388-P394 HydrophobicContact CG-CB 4.17Å; P394-S396 PolarHBondContact O-N 3.46Å; P394-S396 VanDerWaalsContact O-N 3.16Å; P394-K397 HydrophobicContact CG-CD 3.94Å; P394-K397 HydrophobicContact CG-CG 4.07Å; P394-K397 PolarHBondContact O-N 3.49Å; P394-K397 VanDerWaalsContact O-N 3.15Å
395E67.9Low81.3Confident130 Ų13069.6 Ų69.661%0.60734%0.335SS*.G310 helixtrans-59.8-25.3177.4-69.5178.2163.800113.3K287 K397 K398K287-E395 IonicContact NZ-OE2 3.63Å; K287-E395 PolarHBondContact NZ-OE2 3.44Å; E395-K397 PolarHBondContact O-N 2.98Å; E395-K397 VanDerWaalsContact O-N 3.1Å; E395-K398 PolarHBondContact O-N 2.74Å
396S60.3Low81.1Confident100 Ų10070 Ų7070%0.69934%0.338SS*.G310 helixtrans-60.6-18.5177.557.80000113.6P394 K398P394-S396 PolarHBondContact O-N 3.46Å; P394-S396 VanDerWaalsContact O-N 3.16Å; S396-K398 PolarHBondContact O-N 2.97Å
397K60.5Low81.2Confident105 Ų10572 Ų7246%0.45735%0.346SS..G310 helixtrans-69.3-4.4174.1-71.1178-176.1175.10113.1P394 E395 E399 E418P394-K397 HydrophobicContact CG-CD 3.94Å; P394-K397 HydrophobicContact CG-CG 4.07Å; P394-K397 PolarHBondContact O-N 3.49Å; P394-K397 VanDerWaalsContact O-N 3.15Å; E395-K397 PolarHBondContact O-N 2.98Å; E395-K397 VanDerWaalsContact O-N 3.1Å; K397-E399 PolarHBondContact O-N 2.95Å; K397-E418 VanDerWaalsContact NZ-CD 3.28Å; K397-E418 IonicContact NZ-OE1 3.23Å; K397-E418 PolarHBondContact NZ-OE1 3.24Å; K397-E418 IonicContact NZ-OE2 2.89Å; K397-E418 PolarHBondContact NZ-OE2 2.85Å
398K52.4Low81.4Confident202 Ų20276.7 Ų76.788%0.87836%0.363SS*.  trans53.81.2179.2-68.7-174.4179.4179.60115.7E395 S396E395-K398 PolarHBondContact O-N 2.74Å; S396-K398 PolarHBondContact O-N 2.97Å
399E58.3Low81.6Confident132 Ų13277.6 Ų77.662%0.61737%0.366SS*.  trans-86.2115.6178.1-166.5176.9-159.800108.4K397 V401K397-E399 PolarHBondContact O-N 2.95Å; E399-V401 VanDerWaalsContact C-N 3.31Å; E399-V401 HydrophobicContact CG-CG2 4.49Å; E399-V401 PolarHBondContact O-N 2.82Å
400K68.1Low81.7Confident172 Ų17277.1 Ų77.175%0.74836%0.364SS*.  trans-71.196.8165.1-171.5-177.6175.7-164.30106.6E402K400-E402 PolarHBondContact O-N 2.96Å
401V79.8Confident81.8Confident21 Ų2179.8 Ų79.813%0.12738%0.377CS..  trans-70.6113.7177.6-170.90000108.2E399 E405 V406E399-V401 VanDerWaalsContact C-N 3.31Å; E399-V401 HydrophobicContact CG-CG2 4.49Å; E399-V401 PolarHBondContact O-N 2.82Å; V401-E405 HydrophobicContact CG1-CB 3.9Å; V401-E405 HydrophobicContact CG1-CG 3.59Å; V401-V406 HydrophobicContact CB-CG2 4.26Å; V401-V406 HydrophobicContact CG1-CG2 3.65Å
402E86.5Confident81.9Confident103 Ų10384.8 Ų84.848%0.48140%0.404SS..  trans-65.4155.9177.9-66.4-57.7146.200111.3K400 E404 E405 V406K400-E402 PolarHBondContact O-N 2.96Å; E402-E404 VanDerWaalsContact C-N 3.27Å; E402-E404 PolarHBondContact O-N 3.44Å; E402-E405 PolarHBondContact O-N 2.87Å; E402-E405 VanDerWaalsContact O-N 3.13Å; E402-V406 PolarHBondContact O-N 2.87Å; E402-V406 VanDerWaalsContact O-N 3.17Å
403K87.1Confident82.2Confident112 Ų11282.3 Ų82.349%0.48739%0.394SS..Hα-helixtrans-59-40.7-172.4-178.4-176.7173.4-172.80111.9E405 V406 Q407K403-E405 VanDerWaalsContact C-N 3.3Å; K403-E405 PolarHBondContact O-N 3.5Å; K403-V406 PolarHBondContact O-N 3.23Å; K403-Q407 WeakPolarHBondContact O-CG 3.33Å; K403-Q407 PolarHBondContact O-N 3.31Å
404E90.6Very high82.9Confident125 Ų12587 Ų8758%0.58441%0.412SS*.Hα-helixtrans-64.6-36.3-178.9-64.967.3-146.300111.2E402 Q407 R408E402-E404 VanDerWaalsContact C-N 3.27Å; E402-E404 PolarHBondContact O-N 3.44Å; E404-Q407 PolarHBondContact O-N 2.75Å; E404-R408 PolarHBondContact O-N 3.16Å
405E92.3Very high83.6Confident54 Ų5486.3 Ų86.325%0.25241%0.407SS..Hα-helixtrans-70.7-40.3176.9173.858.3-169.300111.4V401 E402 K403 Q407 R408 R409V401-E405 HydrophobicContact CG1-CB 3.9Å; V401-E405 HydrophobicContact CG1-CG 3.59Å; E402-E405 PolarHBondContact O-N 2.87Å; E402-E405 VanDerWaalsContact O-N 3.13Å; K403-E405 VanDerWaalsContact C-N 3.3Å; K403-E405 PolarHBondContact O-N 3.5Å; E405-Q407 VanDerWaalsContact C-N 3.3Å; E405-Q407 PolarHBondContact O-N 2.96Å; E405-R408 PolarHBondContact O-N 2.85Å; E405-R408 IonicContact OE1-CZ 2.77Å; E405-R408 IonicContact OE1-NE 3.74Å; E405-R408 IonicContact OE1-NH2 2.92Å; E405-R408 PolarHBondContact OE1-NH2 3.24Å; E405-R408 IonicContact OE2-CZ 3.86Å; E405-R408 IonicContact OE2-NE 3.12Å; E405-R408 PolarHBondContact OE2-NE 3.43Å; E405-R408 IonicContact OE2-NH2 3.88Å; E405-R408 PolarHBondContact OE2-NH2 3.21Å; E405-R409 VanDerWaalsContact O-CG 3.32Å; E405-R409 WeakPolarHBondContact O-CG 3.36Å; E405-R409 PolarHBondContact O-N 2.99Å; E405-R409 IonicContact OE1-CZ 2.82Å; E405-R409 IonicContact OE1-NE 3.99Å; E405-R409 PolarHBondContact OE1-NE 2.85Å; E405-R409 IonicContact OE1-NH2 2.68Å; E405-R409 PolarHBondContact OE1-NH2 3.29Å
406V92.5Very high84.8Confident12 Ų1285.5 Ų85.57%0.07340%0.402CS..Hα-helixtrans-59.7-43.5172.6178.50000110.7F391 V401 E402 K403 R409 I410F391-V406 HydrophobicContact CB-CG1 4.26Å; V401-V406 HydrophobicContact CB-CG2 4.26Å; V401-V406 HydrophobicContact CG1-CG2 3.65Å; E402-V406 PolarHBondContact O-N 2.87Å; E402-V406 VanDerWaalsContact O-N 3.17Å; K403-V406 PolarHBondContact O-N 3.23Å; V406-R409 PolarHBondContact O-N 3.15Å; V406-I410 HydrophobicContact CG1-CD1 3.95Å; V406-I410 WeakPolarHBondContact O-CG1 3.31Å; V406-I410 PolarHBondContact O-N 2.56Å
407Q94.1Very high86.4Confident49 Ų4984 Ų8423%0.22938%0.381CS..Hα-helixtrans-62.9-43.2176.7-70.4179.5-10.400112.1L363 K403 E404 E405 R409 I410 L411L363-Q407 HydrophobicContact CD1-CB 4.05Å; L363-Q407 HydrophobicContact CD1-CG 4.01Å; L363-Q407 HydrophobicContact CD2-CG 3.93Å; K403-Q407 WeakPolarHBondContact O-CG 3.33Å; K403-Q407 PolarHBondContact O-N 3.31Å; E404-Q407 PolarHBondContact O-N 2.75Å; E405-Q407 VanDerWaalsContact C-N 3.3Å; E405-Q407 PolarHBondContact O-N 2.96Å; Q407-R409 VanDerWaalsContact C-N 3.32Å; Q407-R409 PolarHBondContact O-N 2.68Å; Q407-I410 PolarHBondContact O-N 2.71Å; Q407-L411 WeakPolarHBondContact O-CG 3.4Å; Q407-L411 PolarHBondContact O-N 3.17Å; Q407-L411 VanDerWaalsContact O-N 3.13Å
408R95.7Very high87.6Confident99 Ų9983.9 Ų83.937%0.37438%0.382SS..Hα-helixtrans-58.8-44.7175.1-169.6-163.664.4702.5111.1E404 E405 L411 N412 E413E404-R408 PolarHBondContact O-N 3.16Å; E405-R408 PolarHBondContact O-N 2.85Å; E405-R408 IonicContact OE1-CZ 2.77Å; E405-R408 IonicContact OE1-NE 3.74Å; E405-R408 IonicContact OE1-NH2 2.92Å; E405-R408 PolarHBondContact OE1-NH2 3.24Å; E405-R408 IonicContact OE2-CZ 3.86Å; E405-R408 IonicContact OE2-NE 3.12Å; E405-R408 PolarHBondContact OE2-NE 3.43Å; E405-R408 IonicContact OE2-NH2 3.88Å; E405-R408 PolarHBondContact OE2-NH2 3.21Å; R408-L411 PolarHBondContact O-N 3.28Å; R408-N412 WeakPolarHBondContact O-CB 3.34Å; R408-N412 PolarHBondContact O-N 2.83Å; R408-N412 PolarHBondContact O-ND2 2.74Å; R408-E413 IonicContact CZ-OE1 2.79Å; R408-E413 VanDerWaalsContact CZ-OE1 3.23Å; R408-E413 IonicContact NH1-OE1 3.8Å; R408-E413 PolarHBondContact NH1-OE1 3.34Å; R408-E413 IonicContact NH2-OE1 3.71Å; R408-E413 PolarHBondContact NH2-OE1 3.27Å
409R95.6Very high89.3Confident42 Ų4276.6 Ų76.616%0.15835%0.351CS..Hα-helixtrans-63.8-44.4177.8-69.3174.6-174.1-177.43.3112.1F391 E405 V406 Q407 L411 N412 E413F391-R409 HydrophobicContact CB-CB 4.06Å; F391-R409 HydrophobicContact CD1-CB 4.07Å; F391-R409 HydrophobicContact CG-CB 4.47Å; F391-R409 WeakPolarHBondContact O-CD 3.35Å; F391-R409 PolarHBondContact O-NH1 2.84Å; E405-R409 VanDerWaalsContact O-CG 3.32Å; E405-R409 WeakPolarHBondContact O-CG 3.36Å; E405-R409 PolarHBondContact O-N 2.99Å; E405-R409 IonicContact OE1-CZ 2.82Å; E405-R409 IonicContact OE1-NE 3.99Å; E405-R409 PolarHBondContact OE1-NE 2.85Å; E405-R409 IonicContact OE1-NH2 2.68Å; E405-R409 PolarHBondContact OE1-NH2 3.29Å; V406-R409 PolarHBondContact O-N 3.15Å; Q407-R409 VanDerWaalsContact C-N 3.32Å; Q407-R409 PolarHBondContact O-N 2.68Å; R409-L411 PolarHBondContact O-N 3.03Å; R409-N412 PolarHBondContact O-N 2.84Å; R409-E413 WeakPolarHBondContact O-CB 3.45Å; R409-E413 PolarHBondContact O-N 2.97Å
410I96.6Very high90.6Very high0 Ų079 Ų790%036%0.36CS..Hα-helixtrans-54.3-44.3175.7-73.9164.4000111.1P360 L363 W375 F391 V406 Q407 K436P360-I410 HydrophobicContact CG-CG2 4.02Å; L363-I410 HydrophobicContact CD1-CB 3.88Å; L363-I410 HydrophobicContact CD1-CD1 4Å; L363-I410 HydrophobicContact CD1-CG2 3.57Å; W375-I410 HydrophobicContact CH2-CG2 4.4Å; W375-I410 HydrophobicContact CZ2-CG2 3.79Å; F391-I410 HydrophobicContact CB-CG1 4.01Å; F391-I410 HydrophobicContact CD1-CG1 4.39Å; F391-I410 HydrophobicContact CD2-CB 4.47Å; F391-I410 HydrophobicContact CD2-CD1 4.43Å; F391-I410 HydrophobicContact CD2-CG1 3.44Å; F391-I410 VanDerWaalsContact CD2-CG1 3.44Å; F391-I410 HydrophobicContact CE2-CG1 4Å; F391-I410 HydrophobicContact CG-CG1 3.67Å; V406-I410 HydrophobicContact CG1-CD1 3.95Å; V406-I410 WeakPolarHBondContact O-CG1 3.31Å; V406-I410 PolarHBondContact O-N 2.56Å; Q407-I410 PolarHBondContact O-N 2.71Å; I410-K436 PolarHBondContact O-NZ 2.97Å
411L96.9Very high91.6Very high67 Ų6772.5 Ų72.535%0.35134%0.335SS..Hα-helixtrans-75.3-35.1-177.1-67.8173.1000113.4P360 L363 Q407 R408 R409 K436P360-L411 HydrophobicContact CB-CD2 4.06Å; L363-L411 HydrophobicContact CB-CD2 4.2Å; L363-L411 HydrophobicContact CD1-CG 4.37Å; Q407-L411 WeakPolarHBondContact O-CG 3.4Å; Q407-L411 PolarHBondContact O-N 3.17Å; Q407-L411 VanDerWaalsContact O-N 3.13Å; R408-L411 PolarHBondContact O-N 3.28Å; R409-L411 PolarHBondContact O-N 3.03Å; L411-K436 VanDerWaalsContact O-CD 3.29Å; L411-K436 WeakPolarHBondContact O-CD 3.49Å; L411-K436 WeakPolarHBondContact O-CE 3.38Å
412N96.3Very high92.3Very high112 Ų11272 Ų7260%0.59933%0.331SS*.Hα-helixtrans-119.9-12.7-163.3-58.1-67.4000115.4R408 R409R408-N412 WeakPolarHBondContact O-CB 3.34Å; R408-N412 PolarHBondContact O-N 2.83Å; R408-N412 PolarHBondContact O-ND2 2.74Å; R409-N412 PolarHBondContact O-N 2.84Å
413E95.8Very high92.6Very high53 Ų5370.7 Ų70.725%0.24833%0.328CS..  trans-121.5155-173.3-64.7-178-15500112.5R408 R409 K436R408-E413 IonicContact CZ-OE1 2.79Å; R408-E413 VanDerWaalsContact CZ-OE1 3.23Å; R408-E413 IonicContact NH1-OE1 3.8Å; R408-E413 PolarHBondContact NH1-OE1 3.34Å; R408-E413 IonicContact NH2-OE1 3.71Å; R408-E413 PolarHBondContact NH2-OE1 3.27Å; R409-E413 WeakPolarHBondContact O-CB 3.45Å; R409-E413 PolarHBondContact O-N 2.97Å; E413-K436 WeakPolarHBondContact O-CE 3.33Å; E413-K436 PolarHBondContact O-NZ 2.77Å
414E94.8Very high93.1Very high113 Ų11369 Ų6953%0.52833%0.334SS..PPolyproline II helixtrans-93.7151.7171.8-67.5-58.3137.100111K436E414-K436 IonicContact OE1-NZ 2.69Å
415P93.6Very high93.4Very high9 Ų965.4 Ų65.46%0.05832%0.322CS..PPolyproline II helixtrans-57.8141.8176.3-21.531.3000112.7Y382 P390 F391 W417 L434Y382-P415 HydrophobicContact CD2-CB 4.4Å; Y382-P415 HydrophobicContact CE2-CB 4.19Å; P390-P415 HydrophobicContact CB-CB 4.12Å; P390-P415 HydrophobicContact CB-CG 4.42Å; F391-P415 HydrophobicContact CZ-CG 4.31Å; P415-W417 HydrophobicContact CB-CH2 4.17Å; P415-W417 HydrophobicContact CB-CZ2 4.04Å; P415-W417 PolarHBondContact O-NE1 3.31Å; P415-L434 HydrophobicContact CG-CD1 3.56Å
416K92.5Very high93.6Very high114 Ų11462.9 Ų62.950%0.49631%0.31SS..PPolyproline II helixtrans-94.4141.8174.8-62.7-180-177.9175.50110.6Y382 E418Y382-K416 VanDerWaalsContact CE2-O 3.28Å; Y382-K416 WeakPolarHBondContact CE2-O 3.11Å; Y382-K416 PolarHBondContact OH-O 3.11Å; K416-E418 HydrophobicContact CB-CG 4.28Å
417W93.6Very high93.9Very high67 Ų6765.6 Ų65.625%0.25432%0.321SS..  trans-107.262.6-175.4-48.4104.8000112Y382 P415 F422 K427 I430 Q431Y382-W417 HydrophobicContact CD2-CE3 4.32Å; Y382-W417 HydrophobicContact CD2-CH2 4.5Å; Y382-W417 AromaticContact CD2-CZ3 3.82Å; Y382-W417 HydrophobicContact CD2-CZ3 3.82Å; Y382-W417 HydrophobicContact CE2-CE3 4.02Å; Y382-W417 AromaticContact CE2-CZ3 3.97Å; Y382-W417 HydrophobicContact CE2-CZ3 3.97Å; P415-W417 HydrophobicContact CB-CH2 4.17Å; P415-W417 HydrophobicContact CB-CZ2 4.04Å; P415-W417 PolarHBondContact O-NE1 3.31Å; W417-F422 HydrophobicContact CB-CD2 4.29Å; W417-F422 HydrophobicContact CE3-CB 4.25Å; W417-F422 AromaticContact CE3-CD1 3.66Å; W417-F422 HydrophobicContact CE3-CD1 3.66Å; W417-F422 AromaticContact CE3-CD2 3.92Å; W417-F422 HydrophobicContact CE3-CD2 3.92Å; W417-F422 AromaticContact CE3-CE1 3.89Å; W417-F422 HydrophobicContact CE3-CE1 3.89Å; W417-F422 HydrophobicContact CE3-CE2 4.12Å; W417-F422 AromaticContact CE3-CG 3.7Å; W417-F422 HydrophobicContact CE3-CG 3.7Å; W417-F422 HydrophobicContact CE3-CZ 4.11Å; W417-F422 AromaticContact CZ3-CD1 3.85Å; W417-F422 HydrophobicContact CZ3-CD1 3.85Å; W417-F422 AromaticContact CZ3-CE1 3.83Å; W417-F422 HydrophobicContact CZ3-CE1 3.83Å; W417-F422 HydrophobicContact CZ3-CG 4.36Å; W417-F422 HydrophobicContact CZ3-CZ 4.31Å; W417-K427 HydrophobicContact CD2-CD 4.23Å; W417-K427 HydrophobicContact CD2-CG 3.81Å; W417-K427 HydrophobicContact CE3-CG 3.83Å; W417-K427 HydrophobicContact CG-CD 4.16Å; W417-K427 HydrophobicContact CG-CG 4.26Å; W417-K427 HydrophobicContact CH2-CB 4.49Å; W417-K427 HydrophobicContact CZ3-CG 4.17Å; W417-I430 HydrophobicContact CH2-CB 3.87Å; W417-I430 HydrophobicContact CH2-CD1 4.44Å; W417-I430 HydrophobicContact CH2-CG2 3.63Å; W417-I430 HydrophobicContact CZ3-CB 4.23Å; W417-I430 HydrophobicContact CZ3-CD1 3.93Å; W417-I430 HydrophobicContact CZ3-CG2 4.05Å; W417-Q431 HydrophobicContact CH2-CG 4.03Å; W417-Q431 HydrophobicContact CZ2-CG 3.49Å; W417-Q431 VanDerWaalsContact CZ2-CG 3.49Å
418E87.1Confident94.1Very high104 Ų10466.3 Ų66.349%0.48633%0.327SS..  trans-80.3-25.1-173.9-61.4177.8176.800112.6K397 K416K397-E418 VanDerWaalsContact NZ-CD 3.28Å; K397-E418 IonicContact NZ-OE1 3.23Å; K397-E418 PolarHBondContact NZ-OE1 3.24Å; K397-E418 IonicContact NZ-OE2 2.89Å; K397-E418 PolarHBondContact NZ-OE2 2.85Å; K416-E418 HydrophobicContact CB-CG 4.28Å
419H87.3Confident94.2Very high49 Ų4961.6 Ų61.623%0.22731%0.309CS..SBendtrans-81.8138.1-178.6-165.8-102.8000112.7V385 A386 C421 F422V385-H419 PolarHBondContact O-CE1 3.31Å; V385-H419 PolarHBondContact O-ND1 2.6Å; V385-H419 VanDerWaalsContact O-ND1 3.15Å; A386-H419 HydrophobicContact CB-CB 4Å; H419-C421 VanDerWaalsContact C-N 3.25Å; H419-C421 PolarHBondContact CE1-SG 2.85Å; H419-C421 WeakPolarHBondContact ND1-CB 3.33Å; H419-C421 PolarHBondContact ND1-N 3.1Å; H419-C421 PolarHBondContact O-N 3.1Å; H419-F422 HydrophobicContact CB-CD2 3.77Å; H419-F422 HydrophobicContact CB-CE2 3.65Å; H419-F422 VanDerWaalsContact O-CD2 3.3Å; H419-F422 WeakPolarHBondContact O-CD2 3.31Å; H419-F422 PolarHBondContact O-N 2.82Å
420K85.9Confident94.4Very high182 Ų18259.6 Ų59.679%0.79130%0.301SS*.THydrogen-bonded Turntrans-63.6-24.9-175.567.2-176.7176.8-174.10114.6F422K420-F422 VanDerWaalsContact C-N 3.26Å; K420-F422 PolarHBondContact O-N 2.67Å
421C88.6Confident94.5Very high35 Ų3563.3 Ų63.324%0.23632%0.319CS..THydrogen-bonded Turntrans-83.45.7-176.5-59.20000114.2M291 V385 H419 D423M291-C421 WeakPolarHBondContact CE-O 3.46Å; V385-C421 HydrophobicContact CG1-CB 3.94Å; H419-C421 VanDerWaalsContact C-N 3.25Å; H419-C421 PolarHBondContact CE1-SG 2.85Å; H419-C421 WeakPolarHBondContact ND1-CB 3.33Å; H419-C421 PolarHBondContact ND1-N 3.1Å; H419-C421 PolarHBondContact O-N 3.1Å; C421-D423 PolarHBondContact O-N 3.43Å
422F94.3Very high94.5Very high10 Ų1061.5 Ų61.54%0.04431%0.308CS..  trans-81.189.1171-71-61.6000110.8Y382 V385 A386 W417 H419 K420 T426 K427 I430Y382-F422 HydrophobicContact CD1-CZ 4.2Å; Y382-F422 AromaticContact CD2-CE1 3.95Å; Y382-F422 HydrophobicContact CD2-CE1 3.95Å; Y382-F422 HydrophobicContact CD2-CE2 4.38Å; Y382-F422 AromaticContact CD2-CZ 3.52Å; Y382-F422 HydrophobicContact CD2-CZ 3.52Å; Y382-F422 HydrophobicContact CE1-CZ 4.12Å; Y382-F422 HydrophobicContact CE2-CE1 4.22Å; Y382-F422 AromaticContact CE2-CE2 3.86Å; Y382-F422 HydrophobicContact CE2-CE2 3.86Å; Y382-F422 AromaticContact CE2-CZ 3.45Å; Y382-F422 HydrophobicContact CE2-CZ 3.45Å; Y382-F422 VanDerWaalsContact CE2-CZ 3.45Å; Y382-F422 HydrophobicContact CG-CE1 4.39Å; Y382-F422 AromaticContact CG-CZ 3.9Å; Y382-F422 HydrophobicContact CG-CZ 3.9Å; Y382-F422 AromaticContact CZ-CE2 3.95Å; Y382-F422 AromaticContact CZ-CZ 3.75Å; V385-F422 HydrophobicContact CB-CD1 4.21Å; V385-F422 HydrophobicContact CB-CE1 3.6Å; V385-F422 HydrophobicContact CB-CZ 3.92Å; V385-F422 HydrophobicContact CG1-CD1 3.64Å; V385-F422 HydrophobicContact CG1-CD2 4.31Å; V385-F422 HydrophobicContact CG1-CE1 3.48Å; V385-F422 VanDerWaalsContact CG1-CE1 3.48Å; V385-F422 HydrophobicContact CG1-CE2 4.19Å; V385-F422 HydrophobicContact CG1-CG 4.04Å; V385-F422 HydrophobicContact CG1-CZ 3.77Å; V385-F422 HydrophobicContact CG2-CD1 4.44Å; V385-F422 HydrophobicContact CG2-CE1 4.03Å; A386-F422 HydrophobicContact CB-CE2 3.97Å; A386-F422 HydrophobicContact CB-CZ 3.88Å; W417-F422 HydrophobicContact CB-CD2 4.29Å; W417-F422 HydrophobicContact CE3-CB 4.25Å; W417-F422 AromaticContact CE3-CD1 3.66Å; W417-F422 HydrophobicContact CE3-CD1 3.66Å; W417-F422 AromaticContact CE3-CD2 3.92Å; W417-F422 HydrophobicContact CE3-CD2 3.92Å; W417-F422 AromaticContact CE3-CE1 3.89Å; W417-F422 HydrophobicContact CE3-CE1 3.89Å; W417-F422 HydrophobicContact CE3-CE2 4.12Å; W417-F422 AromaticContact CE3-CG 3.7Å; W417-F422 HydrophobicContact CE3-CG 3.7Å; W417-F422 HydrophobicContact CE3-CZ 4.11Å; W417-F422 AromaticContact CZ3-CD1 3.85Å; W417-F422 HydrophobicContact CZ3-CD1 3.85Å; W417-F422 AromaticContact CZ3-CE1 3.83Å; W417-F422 HydrophobicContact CZ3-CE1 3.83Å; W417-F422 HydrophobicContact CZ3-CG 4.36Å; W417-F422 HydrophobicContact CZ3-CZ 4.31Å; H419-F422 HydrophobicContact CB-CD2 3.77Å; H419-F422 HydrophobicContact CB-CE2 3.65Å; H419-F422 VanDerWaalsContact O-CD2 3.3Å; H419-F422 WeakPolarHBondContact O-CD2 3.31Å; H419-F422 PolarHBondContact O-N 2.82Å; K420-F422 VanDerWaalsContact C-N 3.26Å; K420-F422 PolarHBondContact O-N 2.67Å; F422-T426 HydrophobicContact CD1-CG2 4.15Å; F422-K427 HydrophobicContact CB-CD 4.42Å; F422-K427 HydrophobicContact CB-CG 3.97Å; F422-K427 WeakPolarHBondContact O-CE 3.3Å; F422-K427 PolarHBondContact O-NZ 3.2Å; F422-I430 HydrophobicContact CD1-CD1 4.15Å; F422-I430 HydrophobicContact CE1-CD1 3.67Å
423D94Very high94.6Very high77 Ų7756.2 Ų56.241%0.41228%0.28SS..  trans-75.7172.3168.168.115.2000112.1C421 P425 T426 K427C421-D423 PolarHBondContact O-N 3.43Å; D423-P425 WeakPolarHBondContact OD1-CD 3.43Å; D423-T426 PolarHBondContact O-N 3.14Å; D423-T426 WeakPolarHBondContact OD1-CA 3.08Å; D423-T426 WeakPolarHBondContact OD1-CB 3.15Å; D423-T426 PolarHBondContact OD1-N 3.42Å; D423-T426 PolarHBondContact OD1-OG1 2.88Å; D423-K427 VanDerWaalsContact O-CG 3.31Å; D423-K427 WeakPolarHBondContact O-CG 3.12Å; D423-K427 PolarHBondContact O-N 3.08Å
424A96.5Very high94.8Very high75 Ų7553.7 Ų53.762%0.6227%0.268SS*.Hα-helixtrans-62.6-47.5-175.900000113.3T426 K427 D428A424-T426 VanDerWaalsContact C-N 3.31Å; A424-T426 PolarHBondContact O-N 3.36Å; A424-K427 PolarHBondContact O-N 3.49Å; A424-D428 WeakPolarHBondContact O-CB 3.45Å; A424-D428 PolarHBondContact O-N 2.98Å
425P97Very high94.9Very high51 Ų5152.3 Ų52.333%0.33126%0.261SS..Hα-helixtrans-60.6-37.4176.4-25.536.5000113.5D423 D428 I429D423-P425 WeakPolarHBondContact OD1-CD 3.43Å; P425-D428 PolarHBondContact O-N 3.37Å; P425-I429 PolarHBondContact O-N 2.74Å; P425-I429 VanDerWaalsContact O-N 3.08Å
426T97.6Very high95.1Very high0 Ų054.3 Ų54.30%027%0.268CS..Hα-helixtrans-70.4-41.2178.9-57.70000111.6M291 V385 F422 D423 A424 D428 I429 I430 W456M291-T426 HydrophobicContact CE-CG2 3.92Å; M291-T426 VanDerWaalsContact CE-OG1 3.29Å; M291-T426 WeakPolarHBondContact CE-OG1 3.38Å; V385-T426 HydrophobicContact CG2-CG2 3.97Å; F422-T426 HydrophobicContact CD1-CG2 4.15Å; D423-T426 PolarHBondContact O-N 3.14Å; D423-T426 WeakPolarHBondContact OD1-CA 3.08Å; D423-T426 WeakPolarHBondContact OD1-CB 3.15Å; D423-T426 PolarHBondContact OD1-N 3.42Å; D423-T426 PolarHBondContact OD1-OG1 2.88Å; A424-T426 VanDerWaalsContact C-N 3.31Å; A424-T426 PolarHBondContact O-N 3.36Å; T426-D428 VanDerWaalsContact C-N 3.3Å; T426-D428 PolarHBondContact O-N 3.04Å; T426-I429 WeakPolarHBondContact O-CG2 3.15Å; T426-I430 HydrophobicContact CG2-CD1 3.83Å; T426-I430 WeakPolarHBondContact O-CD1 3.33Å; T426-I430 VanDerWaalsContact O-CG1 3.23Å; T426-I430 WeakPolarHBondContact O-CG1 3.34Å; T426-I430 PolarHBondContact O-N 3.42Å; T426-W456 PolarHBondContact OG1-NE1 3.29Å
427K98.3Very high95.3Very high70 Ų7054.6 Ų54.630%0.30427%0.27SS..Hα-helixtrans-58.9-46.8172.7-73174.7-178.7166.20110.6W417 F422 D423 A424 I430 Q431W417-K427 HydrophobicContact CD2-CD 4.23Å; W417-K427 HydrophobicContact CD2-CG 3.81Å; W417-K427 HydrophobicContact CE3-CG 3.83Å; W417-K427 HydrophobicContact CG-CD 4.16Å; W417-K427 HydrophobicContact CG-CG 4.26Å; W417-K427 HydrophobicContact CH2-CB 4.49Å; W417-K427 HydrophobicContact CZ3-CG 4.17Å; F422-K427 HydrophobicContact CB-CD 4.42Å; F422-K427 HydrophobicContact CB-CG 3.97Å; F422-K427 WeakPolarHBondContact O-CE 3.3Å; F422-K427 PolarHBondContact O-NZ 3.2Å; D423-K427 VanDerWaalsContact O-CG 3.31Å; D423-K427 WeakPolarHBondContact O-CG 3.12Å; D423-K427 PolarHBondContact O-N 3.08Å; A424-K427 PolarHBondContact O-N 3.49Å; K427-I430 PolarHBondContact O-N 3.45Å; K427-Q431 WeakPolarHBondContact O-CB 3.44Å; K427-Q431 VanDerWaalsContact O-CG 3.22Å; K427-Q431 WeakPolarHBondContact O-CG 3.41Å; K427-Q431 PolarHBondContact O-N 3.41Å
428D98.4Very high95.4Very high64 Ų6453.7 Ų53.734%0.34227%0.269SS..Hα-helixtrans-60-53.8-177.2-177.851.8000112A424 P425 T426 I430 Q431 Q432 H454A424-D428 WeakPolarHBondContact O-CB 3.45Å; A424-D428 PolarHBondContact O-N 2.98Å; P425-D428 PolarHBondContact O-N 3.37Å; T426-D428 VanDerWaalsContact C-N 3.3Å; T426-D428 PolarHBondContact O-N 3.04Å; D428-I430 VanDerWaalsContact C-N 3.31Å; D428-I430 PolarHBondContact O-N 2.9Å; D428-Q431 PolarHBondContact O-N 3.23Å; D428-Q431 VanDerWaalsContact O-N 3.11Å; D428-Q432 VanDerWaalsContact CG-NE2 3.3Å; D428-Q432 VanDerWaalsContact O-CG 3.31Å; D428-Q432 WeakPolarHBondContact O-CG 3.27Å; D428-Q432 PolarHBondContact O-N 2.84Å; D428-Q432 PolarHBondContact OD1-NE2 3.01Å; D428-Q432 VanDerWaalsContact OD1-NE2 3.17Å; D428-Q432 PolarHBondContact OD2-NE2 3.06Å; D428-H454 IonicContact OD2-CE1 2.68Å; D428-H454 PolarHBondContact OD2-CE1 2.68Å; D428-H454 IonicContact OD2-NE2 2.67Å; D428-H454 PolarHBondContact OD2-NE2 2.69Å
429I98.5Very high95.8Very high0 Ų053.9 Ų53.90%027%0.274CS..Hα-helixtrans-59.9-41179.9-169167000112.5P425 T426 Q432 F433 L442 H454 W456 F457P425-I429 PolarHBondContact O-N 2.74Å; P425-I429 VanDerWaalsContact O-N 3.08Å; T426-I429 WeakPolarHBondContact O-CG2 3.15Å; I429-Q432 PolarHBondContact O-N 2.81Å; I429-F433 HydrophobicContact CD1-CE2 3.84Å; I429-F433 HydrophobicContact CG1-CD2 3.83Å; I429-F433 HydrophobicContact CG1-CE2 3.61Å; I429-F433 WeakPolarHBondContact O-CD2 3.31Å; I429-F433 PolarHBondContact O-N 3.02Å; I429-L442 HydrophobicContact CG1-CD2 4.15Å; I429-H454 HydrophobicContact CD1-CB 4.39Å; I429-W456 HydrophobicContact CB-CB 4.15Å; I429-W456 HydrophobicContact CB-CG 4.22Å; I429-W456 HydrophobicContact CD1-CB 3.87Å; I429-W456 HydrophobicContact CD1-CD2 3.94Å; I429-W456 HydrophobicContact CD1-CE3 3.61Å; I429-W456 HydrophobicContact CD1-CG 4.1Å; I429-W456 HydrophobicContact CD1-CZ3 4.36Å; I429-W456 HydrophobicContact CG2-CB 4.22Å; I429-W456 HydrophobicContact CG2-CD2 3.86Å; I429-W456 HydrophobicContact CG2-CE3 4.45Å; I429-W456 HydrophobicContact CG2-CG 3.75Å; I429-F457 HydrophobicContact CD1-CD2 4.25Å; I429-F457 HydrophobicContact CD1-CE2 3.57Å; I429-F457 HydrophobicContact CD1-CZ 3.94Å
430I98.7Very high96.2Very high0 Ų055 Ų550%028%0.279CS..Hα-helixtrans-63.9-45.7177-65.5167.3000110.1I381 Y382 W417 F422 T426 K427 D428 Q432 F433 L434I381-I430 HydrophobicContact CB-CD1 4.47Å; I381-I430 HydrophobicContact CB-CG1 4.05Å; I381-I430 HydrophobicContact CG2-CD1 3.85Å; I381-I430 HydrophobicContact CG2-CG1 3.66Å; Y382-I430 HydrophobicContact CD2-CG2 4.43Å; W417-I430 HydrophobicContact CH2-CB 3.87Å; W417-I430 HydrophobicContact CH2-CD1 4.44Å; W417-I430 HydrophobicContact CH2-CG2 3.63Å; W417-I430 HydrophobicContact CZ3-CB 4.23Å; W417-I430 HydrophobicContact CZ3-CD1 3.93Å; W417-I430 HydrophobicContact CZ3-CG2 4.05Å; F422-I430 HydrophobicContact CD1-CD1 4.15Å; F422-I430 HydrophobicContact CE1-CD1 3.67Å; T426-I430 HydrophobicContact CG2-CD1 3.83Å; T426-I430 WeakPolarHBondContact O-CD1 3.33Å; T426-I430 VanDerWaalsContact O-CG1 3.23Å; T426-I430 WeakPolarHBondContact O-CG1 3.34Å; T426-I430 PolarHBondContact O-N 3.42Å; K427-I430 PolarHBondContact O-N 3.45Å; D428-I430 VanDerWaalsContact C-N 3.31Å; D428-I430 PolarHBondContact O-N 2.9Å; I430-Q432 VanDerWaalsContact C-N 3.28Å; I430-Q432 PolarHBondContact O-N 2.95Å; I430-F433 PolarHBondContact O-N 3Å; I430-L434 HydrophobicContact CG2-CD1 3.61Å; I430-L434 HydrophobicContact CG2-CG 4.14Å; I430-L434 VanDerWaalsContact O-CB 3.32Å; I430-L434 WeakPolarHBondContact O-CB 3.25Å; I430-L434 VanDerWaalsContact O-CG 3.29Å; I430-L434 WeakPolarHBondContact O-CG 3.49Å; I430-L434 PolarHBondContact O-N 2.9Å
431Q98.3Very high96.7Very high78 Ų7846.3 Ų46.336%0.36424%0.241SC..Hα-helixtrans-61.6-37.4178-75.2177.2-52.100112.2W417 K427 D428 L434 K435W417-Q431 HydrophobicContact CH2-CG 4.03Å; W417-Q431 HydrophobicContact CZ2-CG 3.49Å; W417-Q431 VanDerWaalsContact CZ2-CG 3.49Å; K427-Q431 WeakPolarHBondContact O-CB 3.44Å; K427-Q431 VanDerWaalsContact O-CG 3.22Å; K427-Q431 WeakPolarHBondContact O-CG 3.41Å; K427-Q431 PolarHBondContact O-N 3.41Å; D428-Q431 PolarHBondContact O-N 3.23Å; D428-Q431 VanDerWaalsContact O-N 3.11Å; Q431-L434 CarbonylContact O-C 3.26Å; Q431-L434 PolarHBondContact O-N 3.38Å; Q431-K435 PolarHBondContact O-N 3.1Å
432Q98.2Very high97.1Very high29 Ų2944.8 Ų44.814%0.13623%0.231CC..Hα-helixtrans-71-36.1178.5-65.8-166.649.400112.5D428 I429 I430 K435 L442 H454D428-Q432 VanDerWaalsContact CG-NE2 3.3Å; D428-Q432 VanDerWaalsContact O-CG 3.31Å; D428-Q432 WeakPolarHBondContact O-CG 3.27Å; D428-Q432 PolarHBondContact O-N 2.84Å; D428-Q432 PolarHBondContact OD1-NE2 3.01Å; D428-Q432 VanDerWaalsContact OD1-NE2 3.17Å; D428-Q432 PolarHBondContact OD2-NE2 3.06Å; I429-Q432 PolarHBondContact O-N 2.81Å; I430-Q432 VanDerWaalsContact C-N 3.28Å; I430-Q432 PolarHBondContact O-N 2.95Å; Q432-K435 WeakPolarHBondContact O-CG 3.47Å; Q432-L442 HydrophobicContact CB-CB 3.92Å; Q432-L442 HydrophobicContact CB-CD2 4.42Å; Q432-L442 PolarHBondContact O-N 3.24Å; Q432-H454 PolarHBondContact NE2-NE2 3.06Å
433F98.5Very high97.2Very high0 Ų044.8 Ų44.80%023%0.233CC..Hα-helixtrans-71.7-31.8170.5-78.6-50.5000113.5W374 L377 I381 I429 I430 K435 R441 L442 P451W374-F433 HydrophobicContact CB-CD1 3.92Å; W374-F433 HydrophobicContact CB-CE1 4.2Å; W374-F433 HydrophobicContact CD2-CE1 4.16Å; W374-F433 HydrophobicContact CE3-CD1 4.42Å; W374-F433 AromaticContact CE3-CE1 3.62Å; W374-F433 HydrophobicContact CE3-CE1 3.62Å; W374-F433 HydrophobicContact CE3-CZ 4.2Å; W374-F433 HydrophobicContact CG-CE1 4.41Å; W374-F433 HydrophobicContact CZ3-CE1 4.41Å; L377-F433 HydrophobicContact CD2-CE1 4.49Å; L377-F433 HydrophobicContact CD2-CE2 4.18Å; L377-F433 HydrophobicContact CD2-CZ 3.93Å; L377-F433 HydrophobicContact CG-CE2 4.45Å; I381-F433 HydrophobicContact CD1-CD2 3.87Å; I381-F433 HydrophobicContact CD1-CE2 3.82Å; I429-F433 HydrophobicContact CD1-CE2 3.84Å; I429-F433 HydrophobicContact CG1-CD2 3.83Å; I429-F433 HydrophobicContact CG1-CE2 3.61Å; I429-F433 WeakPolarHBondContact O-CD2 3.31Å; I429-F433 PolarHBondContact O-N 3.02Å; I430-F433 PolarHBondContact O-N 3Å; F433-K435 VanDerWaalsContact C-N 3.31Å; F433-K435 PolarHBondContact O-N 3.39Å; F433-R441 WeakPolarHBondContact O-CD 3.3Å; F433-R441 VanDerWaalsContact O-CG 3.22Å; F433-R441 WeakPolarHBondContact O-CG 3.26Å; F433-L442 HydrophobicContact CD1-CB 3.86Å; F433-L442 HydrophobicContact CD1-CD2 4.1Å; F433-L442 HydrophobicContact CD1-CG 4.36Å; F433-L442 HydrophobicContact CD2-CD2 4.36Å; F433-L442 HydrophobicContact CE1-CB 4.06Å; F433-L442 HydrophobicContact CE1-CD2 3.74Å; F433-L442 HydrophobicContact CE1-CG 4.07Å; F433-L442 HydrophobicContact CE2-CD2 4.03Å; F433-L442 HydrophobicContact CG-CB 4.48Å; F433-L442 HydrophobicContact CG-CD2 4.41Å; F433-L442 HydrophobicContact CZ-CD2 3.71Å; F433-L442 HydrophobicContact CZ-CG 4.48Å; F433-P451 HydrophobicContact CE1-CB 3.91Å; F433-P451 HydrophobicContact CZ-CB 3.87Å
434L98.6Very high97.2Very high1 Ų142.8 Ų42.81%0.00522%0.222CC..THydrogen-bonded Turntrans-92.321-179-61.9-175.1000113.7W375 P390 P415 I430 Q431 K436W375-L434 HydrophobicContact CD2-CD2 3.72Å; W375-L434 HydrophobicContact CE3-CB 4.44Å; W375-L434 HydrophobicContact CE3-CD2 3.92Å; W375-L434 HydrophobicContact CG-CD2 4.19Å; W375-L434 HydrophobicContact CH2-CB 4.45Å; W375-L434 HydrophobicContact CH2-CD2 4.33Å; W375-L434 HydrophobicContact CZ2-CD2 4.13Å; W375-L434 HydrophobicContact CZ3-CB 4.16Å; W375-L434 HydrophobicContact CZ3-CD2 4.24Å; W375-L434 WeakPolarHBondContact CZ3-O 3.43Å; W375-L434 WeakPolarHBondContact O-CD2 3.27Å; P390-L434 HydrophobicContact CG-CD1 4.28Å; P415-L434 HydrophobicContact CG-CD1 3.56Å; I430-L434 HydrophobicContact CG2-CD1 3.61Å; I430-L434 HydrophobicContact CG2-CG 4.14Å; I430-L434 VanDerWaalsContact O-CB 3.32Å; I430-L434 WeakPolarHBondContact O-CB 3.25Å; I430-L434 VanDerWaalsContact O-CG 3.29Å; I430-L434 WeakPolarHBondContact O-CG 3.49Å; I430-L434 PolarHBondContact O-N 2.9Å; Q431-L434 CarbonylContact O-C 3.26Å; Q431-L434 PolarHBondContact O-N 3.38Å; L434-K436 PolarHBondContact O-N 3.21Å
435K98.1Very high96.9Very high84 Ų8442.1 Ų42.137%0.36520%0.203SC..  trans-62.8125.7166.8-68.9-68.3-176175.70109.9Q431 Q432 F433 E440 R441Q431-K435 PolarHBondContact O-N 3.1Å; Q432-K435 WeakPolarHBondContact O-CG 3.47Å; F433-K435 VanDerWaalsContact C-N 3.31Å; F433-K435 PolarHBondContact O-N 3.39Å; K435-E440 HydrophobicContact CB-CB 4.19Å; K435-E440 HydrophobicContact CD-CB 4.44Å; K435-E440 HydrophobicContact CG-CB 4.27Å; K435-R441 HydrophobicContact CB-CB 4.13Å; K435-R441 PolarHBondContact O-NE 3.15Å; K435-R441 PolarHBondContact O-NH2 2.74Å; K435-R441 VanDerWaalsContact O-NH2 3.09Å
436K97.6Very high96.3Very high50 Ų5047.4 Ų47.422%0.21723%0.229CC..SBendtrans-69.2-37.9-177.1-57.6-167.7-168-51.20112.4P360 W375 I410 L411 E413 E414 L434 R441P360-K436 HydrophobicContact CG-CB 4.19Å; P360-K436 HydrophobicContact CG-CG 4.26Å; W375-K436 HydrophobicContact CH2-CG 4.43Å; W375-K436 HydrophobicContact CZ3-CG 4.32Å; I410-K436 PolarHBondContact O-NZ 2.97Å; L411-K436 VanDerWaalsContact O-CD 3.29Å; L411-K436 WeakPolarHBondContact O-CD 3.49Å; L411-K436 WeakPolarHBondContact O-CE 3.38Å; E413-K436 WeakPolarHBondContact O-CE 3.33Å; E413-K436 PolarHBondContact O-NZ 2.77Å; E414-K436 IonicContact OE1-NZ 2.69Å; L434-K436 PolarHBondContact O-N 3.21Å; K436-R441 PolarHBondContact O-NH2 2.74Å
437K96.4Very high94.9Very high121 Ų12153.6 Ų53.653%0.52626%0.262SS..SBendtrans-76.3136.1171.4-60.6-166.9-157.7149.80110.4D439 E440 R441K437-D439 WeakPolarHBondContact CB-OD1 3.38Å; K437-E440 HydrophobicContact CB-CB 4.38Å; K437-E440 HydrophobicContact CB-CG 4.24Å; K437-E440 WeakPolarHBondContact CD-OE1 3.38Å; K437-E440 WeakPolarHBondContact CE-OE1 3.36Å; K437-E440 IonicContact NZ-OE1 3.13Å; K437-E440 PolarHBondContact NZ-OE1 3.37Å; K437-R441 PolarHBondContact O-N 2.63Å
438I95.9Very high93.5Very high47 Ų4758.2 Ų58.224%0.24129%0.287CS..THydrogen-bonded Turntrans-64.7-44.7-175.5-67173.8000111E361 E440 R441 M444E361-I438 HydrophobicContact CB-CD1 3.94Å; E361-I438 HydrophobicContact CB-CG1 4.47Å; E361-I438 HydrophobicContact CG-CD1 3.94Å; E361-I438 HydrophobicContact CG-CG1 4.37Å; I438-E440 VanDerWaalsContact C-N 3.29Å; I438-E440 PolarHBondContact O-N 3.18Å; I438-R441 VanDerWaalsContact O-CB 3.32Å; I438-R441 WeakPolarHBondContact O-CB 3.37Å; I438-R441 PolarHBondContact O-N 3.14Å; I438-R441 VanDerWaalsContact O-N 3.17Å; I438-M444 HydrophobicContact CG2-CB 4.34Å; I438-M444 HydrophobicContact CG2-CE 4.12Å; I438-M444 HydrophobicContact CG2-CG 4.21Å; I438-M444 WeakPolarHBondContact O-CB 3.31Å
439D94.6Very high93.2Very high109 Ų10957.7 Ų57.758%0.58328%0.282SS*.THydrogen-bonded Turntrans-69-22.5-17659.2-35.6000114K437K437-D439 WeakPolarHBondContact CB-OD1 3.38Å
440E95.9Very high93Very high72 Ų7259.5 Ų59.534%0.33629%0.292SS..THydrogen-bonded Turntrans-88.4-12.4175-63.6178.2-165.800113K435 K437 I438 R445K435-E440 HydrophobicContact CB-CB 4.19Å; K435-E440 HydrophobicContact CD-CB 4.44Å; K435-E440 HydrophobicContact CG-CB 4.27Å; K437-E440 HydrophobicContact CB-CB 4.38Å; K437-E440 HydrophobicContact CB-CG 4.24Å; K437-E440 WeakPolarHBondContact CD-OE1 3.38Å; K437-E440 WeakPolarHBondContact CE-OE1 3.36Å; K437-E440 IonicContact NZ-OE1 3.13Å; K437-E440 PolarHBondContact NZ-OE1 3.37Å; I438-E440 VanDerWaalsContact C-N 3.29Å; I438-E440 PolarHBondContact O-N 3.18Å; E440-R445 PolarHBondContact O-NE 3.16Å; E440-R445 PolarHBondContact O-NH2 2.69Å; E440-R445 VanDerWaalsContact O-NH2 3.13Å
441R97.4Very high92.9Very high0 Ų059.6 Ų59.60%029%0.292CS..SBendtrans-76.4136.3-172.9-166.8178-61.4154.96.9112.1E361 S371 F433 K435 K436 K437 I438 G443 M444 R445E361-R441 IonicContact OE1-CZ 2.7Å; E361-R441 IonicContact OE1-NH1 3.11Å; E361-R441 PolarHBondContact OE1-NH1 3.48Å; E361-R441 IonicContact OE1-NH2 3.55Å; E361-R441 IonicContact OE2-CZ 2.7Å; E361-R441 IonicContact OE2-NH1 2.76Å; E361-R441 PolarHBondContact OE2-NH1 2.9Å; E361-R441 IonicContact OE2-NH2 3.99Å; E361-R441 PolarHBondContact OE2-NH2 3.18Å; S371-R441 VanDerWaalsContact C-NH1 3.34Å; S371-R441 PolarHBondContact O-NH1 3.04Å; F433-R441 WeakPolarHBondContact O-CD 3.3Å; F433-R441 VanDerWaalsContact O-CG 3.22Å; F433-R441 WeakPolarHBondContact O-CG 3.26Å; K435-R441 HydrophobicContact CB-CB 4.13Å; K435-R441 PolarHBondContact O-NE 3.15Å; K435-R441 PolarHBondContact O-NH2 2.74Å; K435-R441 VanDerWaalsContact O-NH2 3.09Å; K436-R441 PolarHBondContact O-NH2 2.74Å; K437-R441 PolarHBondContact O-N 2.63Å; I438-R441 VanDerWaalsContact O-CB 3.32Å; I438-R441 WeakPolarHBondContact O-CB 3.37Å; I438-R441 PolarHBondContact O-N 3.14Å; I438-R441 VanDerWaalsContact O-N 3.17Å; R441-G443 PolarHBondContact O-N 2.59Å; R441-M444 HydrophobicContact CB-CB 4.38Å; R441-M444 HydrophobicContact CB-CG 4.26Å; R441-M444 WeakPolarHBondContact O-CB 3.27Å; R441-M444 PolarHBondContact O-N 3.1Å; R441-R445 PolarHBondContact O-N 3.15Å
442L97.1Very high92.8Very high3 Ų358 Ų582%0.01628%0.283CS..THydrogen-bonded Turntrans-54.5132.1174.2-17070.4000110.2I429 Q432 F433 M444 E449 P451 H454I429-L442 HydrophobicContact CG1-CD2 4.15Å; Q432-L442 HydrophobicContact CB-CB 3.92Å; Q432-L442 HydrophobicContact CB-CD2 4.42Å; Q432-L442 PolarHBondContact O-N 3.24Å; F433-L442 HydrophobicContact CD1-CB 3.86Å; F433-L442 HydrophobicContact CD1-CD2 4.1Å; F433-L442 HydrophobicContact CD1-CG 4.36Å; F433-L442 HydrophobicContact CD2-CD2 4.36Å; F433-L442 HydrophobicContact CE1-CB 4.06Å; F433-L442 HydrophobicContact CE1-CD2 3.74Å; F433-L442 HydrophobicContact CE1-CG 4.07Å; F433-L442 HydrophobicContact CE2-CD2 4.03Å; F433-L442 HydrophobicContact CG-CB 4.48Å; F433-L442 HydrophobicContact CG-CD2 4.41Å; F433-L442 HydrophobicContact CZ-CD2 3.71Å; F433-L442 HydrophobicContact CZ-CG 4.48Å; L442-M444 VanDerWaalsContact C-N 3.31Å; L442-E449 WeakPolarHBondContact CA-OE2 3.42Å; L442-E449 WeakPolarHBondContact CD1-OE2 3.18Å; L442-P451 HydrophobicContact CD2-CB 4Å; L442-P451 HydrophobicContact CG-CB 3.94Å; L442-H454 HydrophobicContact CD2-CB 4.49Å
443G94.9Very high92.7Very high10 Ų1065.1 Ų65.110%0.10331%0.314CS..THydrogen-bonded Turntrans89.3-9.6-17500000114.5R441 E449R441-G443 PolarHBondContact O-N 2.59Å; G443-E449 WeakPolarHBondContact CA-O 3.24Å; G443-E449 PolarHBondContact N-OE2 2.77Å
444M94.3Very high92.7Very high35 Ų3566.3 Ų66.317%0.17232%0.319CS..THydrogen-bonded Turntrans-115.7-16.4177.8-58.8-53.4-53.100113.2S371 I438 R441 L442 N447S371-M444 VanDerWaalsContact CA-SD 3.52Å; I438-M444 HydrophobicContact CG2-CB 4.34Å; I438-M444 HydrophobicContact CG2-CE 4.12Å; I438-M444 HydrophobicContact CG2-CG 4.21Å; I438-M444 WeakPolarHBondContact O-CB 3.31Å; R441-M444 HydrophobicContact CB-CB 4.38Å; R441-M444 HydrophobicContact CB-CG 4.26Å; R441-M444 WeakPolarHBondContact O-CB 3.27Å; R441-M444 PolarHBondContact O-N 3.1Å; L442-M444 VanDerWaalsContact C-N 3.31Å; M444-N447 PolarHBondContact O-N 2.84Å
445R91.3Very high92.6Very high60 Ų6072.1 Ų72.123%0.22635%0.346CS..G310 helixtrans-62.7146.5178-58.7176.6-170148.41.5110.5E440 R441 N447 M448 E449E440-R445 PolarHBondContact O-NE 3.16Å; E440-R445 PolarHBondContact O-NH2 2.69Å; E440-R445 VanDerWaalsContact O-NH2 3.13Å; R441-R445 PolarHBondContact O-N 3.15Å; R445-N447 PolarHBondContact O-N 3.29Å; R445-M448 PolarHBondContact O-N 3.17Å; R445-E449 HydrophobicContact CB-CB 4.34Å; R445-E449 WeakPolarHBondContact CB-OE2 3.48Å; R445-E449 WeakPolarHBondContact CD-OE2 3.39Å; R445-E449 IonicContact NH1-OE1 2.69Å; R445-E449 WeakPolarHBondContact O-CB 3.48Å; R445-E449 PolarHBondContact O-N 3.02Å
446N83.1Confident92.5Very high163 Ų16368.7 Ų68.787%0.87233%0.331SS*.G310 helixtrans51.424.3178.9-55.9-39.4000114M448N446-M448 VanDerWaalsContact C-N 3.26Å; N446-M448 PolarHBondContact O-N 2.75Å
447N68.9Low92.6Very high130 Ų13066.5 Ų66.570%0.69532%0.321SS*.G310 helixtrans58.324.2175.1-157.638.5000115.7M444 R445M444-N447 PolarHBondContact O-N 2.84Å; R445-N447 PolarHBondContact O-N 3.29Å
448M69.6Low92.5Very high167 Ų16767.9 Ų67.982%0.82333%0.327SS*.THydrogen-bonded Turntrans172.238.6170.8-100.4166.7-91.400112.6R445 N446 D450R445-M448 PolarHBondContact O-N 3.17Å; N446-M448 VanDerWaalsContact C-N 3.26Å; N446-M448 PolarHBondContact O-N 2.75Å; M448-D450 PolarHBondContact O-N 3.38Å
449E91.3Very high92.5Very high53 Ų5370.5 Ų70.525%0.24835%0.346CS..  trans-63.3129.1174.7-178.7-178.7-140.500110.7L442 G443 R445 P451L442-E449 WeakPolarHBondContact CA-OE2 3.42Å; L442-E449 WeakPolarHBondContact CD1-OE2 3.18Å; G443-E449 WeakPolarHBondContact CA-O 3.24Å; G443-E449 PolarHBondContact N-OE2 2.77Å; R445-E449 HydrophobicContact CB-CB 4.34Å; R445-E449 WeakPolarHBondContact CB-OE2 3.48Å; R445-E449 WeakPolarHBondContact CD-OE2 3.39Å; R445-E449 IonicContact NH1-OE1 2.69Å; R445-E449 WeakPolarHBondContact O-CB 3.48Å; R445-E449 PolarHBondContact O-N 3.02Å; E449-P451 VanDerWaalsContact O-CD 3.23Å; E449-P451 WeakPolarHBondContact O-CD 3.34Å
450D94.3Very high92.6Very high38 Ų3866.5 Ų66.520%0.20332%0.324CS..  trans-82.3108.5170.7-173.9-13.3000109.2M448 R452 K453M448-D450 PolarHBondContact O-N 3.38Å; D450-R452 PolarHBondContact O-N 3.38Å; D450-R452 VanDerWaalsContact O-N 3.09Å; D450-R452 WeakPolarHBondContact OD1-CB 3.36Å; D450-R452 VanDerWaalsContact OD1-CG 3.27Å; D450-R452 WeakPolarHBondContact OD1-CG 3.22Å; D450-R452 IonicContact OD1-CZ 3.31Å; D450-R452 PolarHBondContact OD1-N 2.77Å; D450-R452 IonicContact OD1-NE 3.35Å; D450-R452 PolarHBondContact OD1-NE 3.04Å; D450-R452 IonicContact OD1-NH2 2.59Å; D450-R452 IonicContact OD2-CZ 3.88Å; D450-R452 IonicContact OD2-NE 2.68Å; D450-R452 PolarHBondContact OD2-NE 2.94Å; D450-R452 VanDerWaalsContact OD2-NE 3.12Å; D450-R452 IonicContact OD2-NH2 3.92Å; D450-R452 PolarHBondContact OD2-NH2 3.14Å; D450-K453 HydrophobicContact CB-CD 4.26Å; D450-K453 HydrophobicContact CB-CG 4.23Å; D450-K453 PolarHBondContact O-N 2.92Å; D450-K453 VanDerWaalsContact O-N 3.15Å
451P96.3Very high92.5Very high1 Ų165.1 Ų65.11%0.00632%0.319CS..G310 helixtrans-63.3-18.7-177.226.9-34.9000112.9W374 F433 L442 E449 K453 H454 F457W374-P451 HydrophobicContact CE3-CG 4.23Å; W374-P451 HydrophobicContact CH2-CG 3.57Å; W374-P451 HydrophobicContact CZ2-CG 3.91Å; W374-P451 HydrophobicContact CZ3-CG 3.73Å; F433-P451 HydrophobicContact CE1-CB 3.91Å; F433-P451 HydrophobicContact CZ-CB 3.87Å; L442-P451 HydrophobicContact CD2-CB 4Å; L442-P451 HydrophobicContact CG-CB 3.94Å; E449-P451 VanDerWaalsContact O-CD 3.23Å; E449-P451 WeakPolarHBondContact O-CD 3.34Å; P451-K453 PolarHBondContact O-N 2.77Å; P451-H454 VanDerWaalsContact O-CB 3.29Å; P451-H454 WeakPolarHBondContact O-CB 3.23Å; P451-H454 PolarHBondContact O-N 2.78Å; P451-F457 WeakPolarHBondContact O-CE2 3.44Å
452R97Very high92.4Very high46 Ų4666.4 Ų66.417%0.17432%0.324CS..G310 helixtrans-68.9-16.7179.1-60.6176.7-59.5172.25.8113.1A302 L306 D450 H454 F462 E466A302-R452 HydrophobicContact CB-CG 4.32Å; L306-R452 HydrophobicContact CD1-CG 4.08Å; D450-R452 PolarHBondContact O-N 3.38Å; D450-R452 VanDerWaalsContact O-N 3.09Å; D450-R452 WeakPolarHBondContact OD1-CB 3.36Å; D450-R452 VanDerWaalsContact OD1-CG 3.27Å; D450-R452 WeakPolarHBondContact OD1-CG 3.22Å; D450-R452 IonicContact OD1-CZ 3.31Å; D450-R452 PolarHBondContact OD1-N 2.77Å; D450-R452 IonicContact OD1-NE 3.35Å; D450-R452 PolarHBondContact OD1-NE 3.04Å; D450-R452 IonicContact OD1-NH2 2.59Å; D450-R452 IonicContact OD2-CZ 3.88Å; D450-R452 IonicContact OD2-NE 2.68Å; D450-R452 PolarHBondContact OD2-NE 2.94Å; D450-R452 VanDerWaalsContact OD2-NE 3.12Å; D450-R452 IonicContact OD2-NH2 3.92Å; D450-R452 PolarHBondContact OD2-NH2 3.14Å; R452-H454 PolarHBondContact O-N 3.18Å; R452-F462 HydrophobicContact CB-CD1 4.37Å; R452-F462 HydrophobicContact CB-CD2 4.16Å; R452-F462 HydrophobicContact CB-CE1 3.86Å; R452-F462 HydrophobicContact CB-CE2 3.62Å; R452-F462 HydrophobicContact CB-CG 4.5Å; R452-F462 HydrophobicContact CB-CZ 3.46Å; R452-F462 VanDerWaalsContact CB-CZ 3.46Å; R452-F462 VanDerWaalsContact CD-CE1 3.4Å; R452-F462 HydrophobicContact CG-CD1 4.26Å; R452-F462 HydrophobicContact CG-CE1 3.62Å; R452-F462 HydrophobicContact CG-CE2 4.32Å; R452-F462 HydrophobicContact CG-CZ 3.65Å; R452-F462 WeakPolarHBondContact O-CE2 3Å; R452-E466 IonicContact CZ-OE1 3.39Å; R452-E466 IonicContact NH1-OE1 2.69Å; R452-E466 PolarHBondContact NH1-OE1 2.98Å
453K95.8Very high92.2Very high178 Ų17868.2 Ų68.277%0.77434%0.336SS*.G310 helixtrans-76.1-6.8175.6-65.7-178.1178.21790113.7D450 P451D450-K453 HydrophobicContact CB-CD 4.26Å; D450-K453 HydrophobicContact CB-CG 4.23Å; D450-K453 PolarHBondContact O-N 2.92Å; D450-K453 VanDerWaalsContact O-N 3.15Å; P451-K453 PolarHBondContact O-N 2.77Å
454H97.4Very high92.3Very high25 Ų2570.8 Ų70.812%0.11634%0.343CS..SBendtrans-62.9142.5178-167.9-88.8000112D428 I429 Q432 L442 P451 R452 W456 F457D428-H454 IonicContact OD2-CE1 2.68Å; D428-H454 PolarHBondContact OD2-CE1 2.68Å; D428-H454 IonicContact OD2-NE2 2.67Å; D428-H454 PolarHBondContact OD2-NE2 2.69Å; I429-H454 HydrophobicContact CD1-CB 4.39Å; Q432-H454 PolarHBondContact NE2-NE2 3.06Å; L442-H454 HydrophobicContact CD2-CB 4.49Å; P451-H454 VanDerWaalsContact O-CB 3.29Å; P451-H454 WeakPolarHBondContact O-CB 3.23Å; P451-H454 PolarHBondContact O-N 2.78Å; R452-H454 PolarHBondContact O-N 3.18Å; H454-W456 VanDerWaalsContact ND1-CB 3.25Å; H454-W456 WeakPolarHBondContact ND1-CB 3.08Å; H454-W456 PolarHBondContact ND1-N 3.13Å; H454-W456 VanDerWaalsContact ND1-N 3.17Å; H454-W456 PolarHBondContact O-N 2.72Å; H454-F457 HydrophobicContact CB-CD2 4.19Å; H454-F457 PolarHBondContact O-N 2.89Å
455E96.5Very high92.4Very high122 Ų12269.3 Ų69.357%0.5734%0.336SS*.G310 helixtrans-56.9-29-176.4-168.4-168157.200112.8F457 K458E455-F457 PolarHBondContact O-N 2.98Å; E455-F457 VanDerWaalsContact O-N 3.11Å; E455-K458 HydrophobicContact CG-CD 3.99Å; E455-K458 WeakPolarHBondContact O-CB 3.32Å; E455-K458 VanDerWaalsContact O-CG 3.23Å; E455-K458 WeakPolarHBondContact O-CG 3.4Å; E455-K458 PolarHBondContact O-N 2.6Å; E455-K458 IonicContact OE1-NZ 3.94Å; E455-K458 PolarHBondContact OE1-NZ 3.18Å
456W97.9Very high92.6Very high13 Ų1370.7 Ų70.75%0.04935%0.345CS..G310 helixtrans-57.7-24.5176.9-167.483.9000113.7M291 I294 I295 T298 I381 T426 I429 H454M291-W456 HydrophobicContact SD-CZ2 3.95Å; I294-W456 HydrophobicContact CG2-CH2 3.89Å; I294-W456 HydrophobicContact CG2-CZ2 4.05Å; I295-W456 VanDerWaalsContact CA-CH2 3.45Å; I295-W456 HydrophobicContact CB-CH2 4.05Å; I295-W456 HydrophobicContact CB-CZ2 4.4Å; I295-W456 HydrophobicContact CB-CZ3 4.16Å; I295-W456 HydrophobicContact CD1-CZ2 4.47Å; I295-W456 HydrophobicContact CG1-CD2 4.06Å; I295-W456 HydrophobicContact CG1-CE3 4.14Å; I295-W456 HydrophobicContact CG1-CH2 3.56Å; I295-W456 HydrophobicContact CG1-CZ2 3.42Å; I295-W456 VanDerWaalsContact CG1-CZ2 3.42Å; I295-W456 HydrophobicContact CG1-CZ3 3.91Å; I295-W456 HydrophobicContact CG2-CE3 4.46Å; I295-W456 HydrophobicContact CG2-CZ3 4.3Å; T298-W456 HydrophobicContact CG2-CH2 4.19Å; T298-W456 HydrophobicContact CG2-CZ3 3.74Å; I381-W456 HydrophobicContact CG2-CH2 4.4Å; I381-W456 HydrophobicContact CG2-CZ2 4.34Å; T426-W456 PolarHBondContact OG1-NE1 3.29Å; I429-W456 HydrophobicContact CB-CB 4.15Å; I429-W456 HydrophobicContact CB-CG 4.22Å; I429-W456 HydrophobicContact CD1-CB 3.87Å; I429-W456 HydrophobicContact CD1-CD2 3.94Å; I429-W456 HydrophobicContact CD1-CE3 3.61Å; I429-W456 HydrophobicContact CD1-CG 4.1Å; I429-W456 HydrophobicContact CD1-CZ3 4.36Å; I429-W456 HydrophobicContact CG2-CB 4.22Å; I429-W456 HydrophobicContact CG2-CD2 3.86Å; I429-W456 HydrophobicContact CG2-CE3 4.45Å; I429-W456 HydrophobicContact CG2-CG 3.75Å; H454-W456 VanDerWaalsContact ND1-CB 3.25Å; H454-W456 WeakPolarHBondContact ND1-CB 3.08Å; H454-W456 PolarHBondContact ND1-N 3.13Å; H454-W456 VanDerWaalsContact ND1-N 3.17Å; H454-W456 PolarHBondContact O-N 2.72Å
457F98.1Very high93Very high3 Ų364.3 Ų64.31%0.01331%0.314CS..G310 helixtrans-93.68.9174.8-63.1-71.1000114.4I295 T298 A299 I429 P451 H454 E455 T459 I460 F462I295-F457 HydrophobicContact CG2-CD1 4.39Å; T298-F457 HydrophobicContact CG2-CE1 3.88Å; T298-F457 HydrophobicContact CG2-CZ 3.75Å; A299-F457 HydrophobicContact CB-CD1 4Å; A299-F457 HydrophobicContact CB-CE1 4.01Å; I429-F457 HydrophobicContact CD1-CD2 4.25Å; I429-F457 HydrophobicContact CD1-CE2 3.57Å; I429-F457 HydrophobicContact CD1-CZ 3.94Å; P451-F457 WeakPolarHBondContact O-CE2 3.44Å; H454-F457 HydrophobicContact CB-CD2 4.19Å; H454-F457 PolarHBondContact O-N 2.89Å; E455-F457 PolarHBondContact O-N 2.98Å; E455-F457 VanDerWaalsContact O-N 3.11Å; F457-T459 PolarHBondContact O-N 2.67Å; F457-I460 WeakPolarHBondContact O-CB 3.45Å; F457-I460 PolarHBondContact O-N 2.9Å; F457-F462 HydrophobicContact CB-CE2 3.77Å; F457-F462 HydrophobicContact CB-CZ 3.95Å; F457-F462 AromaticContact CD1-CZ 3.97Å; F457-F462 HydrophobicContact CD1-CZ 3.97Å; F457-F462 HydrophobicContact CG-CE2 4.24Å; F457-F462 AromaticContact CG-CZ 3.92Å; F457-F462 HydrophobicContact CG-CZ 3.92Å
458K95.8Very high94.3Very high151 Ų15160.2 Ų60.266%0.65730%0.303SS*.THydrogen-bonded Turntrans-56.7-19.2-173.368.1-177.6166.8-166.80115.7E455E455-K458 HydrophobicContact CG-CD 3.99Å; E455-K458 WeakPolarHBondContact O-CB 3.32Å; E455-K458 VanDerWaalsContact O-CG 3.23Å; E455-K458 WeakPolarHBondContact O-CG 3.4Å; E455-K458 PolarHBondContact O-N 2.6Å; E455-K458 IonicContact OE1-NZ 3.94Å; E455-K458 PolarHBondContact OE1-NZ 3.18Å
459T95Very high95.4Very high102 Ų10256 Ų5663%0.62628%0.284SS*.THydrogen-bonded Turntrans-87.6-3.4177.459.70000113.5F457F457-T459 PolarHBondContact O-N 2.67Å
460I96.5Very high95.6Very high25 Ų2555 Ų5513%0.12828%0.281CS..  trans-104.4121.1-176.6-57-60.4000109.7I295 A299 F457 F462 L465I295-I460 HydrophobicContact CG2-CD1 4.08Å; I295-I460 HydrophobicContact CG2-CG1 3.83Å; A299-I460 HydrophobicContact CB-CG1 4.07Å; A299-I460 HydrophobicContact CB-CG2 3.98Å; F457-I460 WeakPolarHBondContact O-CB 3.45Å; F457-I460 PolarHBondContact O-N 2.9Å; I460-F462 HydrophobicContact CB-CD2 4.47Å; I460-F462 HydrophobicContact CB-CE2 4.09Å; I460-F462 HydrophobicContact CB-CZ 4.29Å; I460-F462 HydrophobicContact CG2-CD1 4.15Å; I460-F462 HydrophobicContact CG2-CD2 4.09Å; I460-F462 HydrophobicContact CG2-CE1 4.04Å; I460-F462 HydrophobicContact CG2-CE2 3.97Å; I460-F462 HydrophobicContact CG2-CG 4.19Å; I460-F462 HydrophobicContact CG2-CZ 3.94Å; I460-F462 PolarHBondContact O-N 3.33Å; I460-L465 HydrophobicContact CG2-CB 4.4Å; I460-L465 HydrophobicContact CG2-CD2 3.99Å
461N94.5Very high95.5Very high42 Ų4260.1 Ų60.123%0.22531%0.308CS..  trans-85.599.4166.3-175.6-34.7000108.7E94 P463 R464 L465E94-N461 PolarHBondContact OE1-ND2 2.94Å; N461-P463 VanDerWaalsContact OD1-CD 3.27Å; N461-P463 WeakPolarHBondContact OD1-CD 3.22Å; N461-R464 HydrophobicContact CB-CB 4.19Å; N461-R464 HydrophobicContact CB-CG 4.35Å; N461-R464 VanDerWaalsContact ND2-CD 3.3Å; N461-R464 WeakPolarHBondContact ND2-CD 3.17Å; N461-R464 PolarHBondContact O-N 2.95Å; N461-R464 PolarHBondContact OD1-N 3.44Å; N461-L465 PolarHBondContact O-N 3.36Å
462F95.3Very high95.4Very high27 Ų2761.1 Ų61.112%0.11832%0.315CS..Hα-helixtrans-64.2-42.8-175.1-78.7-80000114.7A299 R452 F457 I460 R464 L465 E466A299-F462 HydrophobicContact CB-CE1 3.76Å; A299-F462 HydrophobicContact CB-CZ 3.93Å; R452-F462 HydrophobicContact CB-CD1 4.37Å; R452-F462 HydrophobicContact CB-CD2 4.16Å; R452-F462 HydrophobicContact CB-CE1 3.86Å; R452-F462 HydrophobicContact CB-CE2 3.62Å; R452-F462 HydrophobicContact CB-CG 4.5Å; R452-F462 HydrophobicContact CB-CZ 3.46Å; R452-F462 VanDerWaalsContact CB-CZ 3.46Å; R452-F462 VanDerWaalsContact CD-CE1 3.4Å; R452-F462 HydrophobicContact CG-CD1 4.26Å; R452-F462 HydrophobicContact CG-CE1 3.62Å; R452-F462 HydrophobicContact CG-CE2 4.32Å; R452-F462 HydrophobicContact CG-CZ 3.65Å; R452-F462 WeakPolarHBondContact O-CE2 3Å; F457-F462 HydrophobicContact CB-CE2 3.77Å; F457-F462 HydrophobicContact CB-CZ 3.95Å; F457-F462 AromaticContact CD1-CZ 3.97Å; F457-F462 HydrophobicContact CD1-CZ 3.97Å; F457-F462 HydrophobicContact CG-CE2 4.24Å; F457-F462 AromaticContact CG-CZ 3.92Å; F457-F462 HydrophobicContact CG-CZ 3.92Å; I460-F462 HydrophobicContact CB-CD2 4.47Å; I460-F462 HydrophobicContact CB-CE2 4.09Å; I460-F462 HydrophobicContact CB-CZ 4.29Å; I460-F462 HydrophobicContact CG2-CD1 4.15Å; I460-F462 HydrophobicContact CG2-CD2 4.09Å; I460-F462 HydrophobicContact CG2-CE1 4.04Å; I460-F462 HydrophobicContact CG2-CE2 3.97Å; I460-F462 HydrophobicContact CG2-CG 4.19Å; I460-F462 HydrophobicContact CG2-CZ 3.94Å; I460-F462 PolarHBondContact O-N 3.33Å; F462-R464 VanDerWaalsContact C-N 3.27Å; F462-R464 PolarHBondContact O-N 3.24Å; F462-L465 HydrophobicContact CD1-CD2 3.91Å; F462-L465 HydrophobicContact CE1-CD2 4.01Å; F462-L465 WeakPolarHBondContact O-CB 3.29Å; F462-L465 PolarHBondContact O-N 3.46Å; F462-E466 WeakPolarHBondContact O-CB 3.42Å; F462-E466 WeakPolarHBondContact O-CG 3.35Å; F462-E466 PolarHBondContact O-N 3.09Å
463P93.5Very high95.2Very high41 Ų4161.5 Ų61.527%0.26632%0.323SS..Hα-helixtrans-53.3-43.8172.5-29.834.7000113.1N461 A467N461-P463 VanDerWaalsContact OD1-CD 3.27Å; N461-P463 WeakPolarHBondContact OD1-CD 3.22Å; P463-A467 WeakPolarHBondContact O-CB 3.36Å; P463-A467 PolarHBondContact O-N 3.3Å; P463-A467 VanDerWaalsContact O-N 3.13Å
464R95.3Very high95Very high65 Ų6555.4 Ų55.425%0.24530%0.296CS..Hα-helixtrans-69.2-37.4175.6-66.3-18064.277.85.1112.4L92 E94 N461 F462 A467 G468 L469 V470L92-R464 PolarHBondContact O-NH1 2.88Å; E94-R464 VanDerWaalsContact CD-CD 3.47Å; E94-R464 IonicContact OE2-CZ 2.61Å; E94-R464 IonicContact OE2-NE 3.79Å; N461-R464 HydrophobicContact CB-CB 4.19Å; N461-R464 HydrophobicContact CB-CG 4.35Å; N461-R464 VanDerWaalsContact ND2-CD 3.3Å; N461-R464 WeakPolarHBondContact ND2-CD 3.17Å; N461-R464 PolarHBondContact O-N 2.95Å; N461-R464 PolarHBondContact OD1-N 3.44Å; F462-R464 VanDerWaalsContact C-N 3.27Å; F462-R464 PolarHBondContact O-N 3.24Å; R464-A467 PolarHBondContact O-N 3.41Å; R464-G468 PolarHBondContact O-N 3.34Å; R464-L469 HydrophobicContact CB-CB 4.28Å; R464-L469 PolarHBondContact NH2-O 2.93Å; R464-L469 PolarHBondContact O-N 3.27Å; R464-V470 HydrophobicContact CB-CG2 3.89Å
465L96.4Very high94.8Very high3 Ų358 Ų582%0.01631%0.313CS..Hα-helixtrans-61.9-47.5176.5-174.972.8000110.8F245 A299 Q300 I460 N461 F462 A467 G468 V470F245-L465 HydrophobicContact CE1-CG 4.13Å; F245-L465 HydrophobicContact CZ-CG 4.09Å; F245-L465 WeakPolarHBondContact CZ-O 3.47Å; A299-L465 HydrophobicContact CB-CD2 3.73Å; Q300-L465 HydrophobicContact CG-CD1 3.94Å; Q300-L465 HydrophobicContact CG-CD2 4.3Å; Q300-L465 HydrophobicContact CG-CG 4.44Å; I460-L465 HydrophobicContact CG2-CB 4.4Å; I460-L465 HydrophobicContact CG2-CD2 3.99Å; N461-L465 PolarHBondContact O-N 3.36Å; F462-L465 HydrophobicContact CD1-CD2 3.91Å; F462-L465 HydrophobicContact CE1-CD2 4.01Å; F462-L465 WeakPolarHBondContact O-CB 3.29Å; F462-L465 PolarHBondContact O-N 3.46Å; L465-A467 PolarHBondContact O-N 2.97Å; L465-G468 PolarHBondContact O-N 2.97Å; L465-V470 HydrophobicContact CB-CG2 4.01Å; L465-V470 HydrophobicContact CD1-CB 4Å; L465-V470 HydrophobicContact CD1-CG1 4.42Å; L465-V470 HydrophobicContact CD1-CG2 4.26Å
466E95.4Very high94.5Very high90 Ų9052.5 Ų52.542%0.42129%0.288SS..Hα-helixtrans-62.9-28.9177.4-73.7178.5176.500112.9L244 F245 T303 R452 F462 G468L244-E466 WeakPolarHBondContact CD1-O 3.48Å; F245-E466 HydrophobicContact CE2-CG 4.18Å; F245-E466 HydrophobicContact CZ-CG 4.47Å; T303-E466 HydrophobicContact CG2-CG 3.85Å; R452-E466 IonicContact CZ-OE1 3.39Å; R452-E466 IonicContact NH1-OE1 2.69Å; R452-E466 PolarHBondContact NH1-OE1 2.98Å; F462-E466 WeakPolarHBondContact O-CB 3.42Å; F462-E466 WeakPolarHBondContact O-CG 3.35Å; F462-E466 PolarHBondContact O-N 3.09Å; E466-G468 VanDerWaalsContact C-N 3.31Å
467A93.3Very high94Very high28 Ų2858.4 Ų58.423%0.23131%0.314CS..THydrogen-bonded Turntrans-82.8-2.3171.700000114L92 P463 R464 L465 L469L92-A467 HydrophobicContact CD1-CB 4.41Å; L92-A467 HydrophobicContact CD2-CB 3.63Å; P463-A467 WeakPolarHBondContact O-CB 3.36Å; P463-A467 PolarHBondContact O-N 3.3Å; P463-A467 VanDerWaalsContact O-N 3.13Å; R464-A467 PolarHBondContact O-N 3.41Å; L465-A467 PolarHBondContact O-N 2.97Å; A467-L469 VanDerWaalsContact C-N 3.32Å; A467-L469 HydrophobicContact CB-CD1 3.91Å; A467-L469 HydrophobicContact CB-CG 3.9Å
468G94.4Very high93.2Very high45 Ų4563.3 Ų63.346%0.46435%0.346SS..THydrogen-bonded Turntrans72.421.7-177.200000114.3R464 L465 E466R464-G468 PolarHBondContact O-N 3.34Å; L465-G468 PolarHBondContact O-N 2.97Å; E466-G468 VanDerWaalsContact C-N 3.31Å
469L93.9Very high92.5Very high79 Ų7961.9 Ų61.941%0.41435%0.346SS..  trans-101.511.5-173.9-59.4178.3000114.1L92 R464 A467L92-L469 HydrophobicContact CD1-CD1 3.78Å; L92-L469 HydrophobicContact CD2-CD1 4.26Å; L92-L469 HydrophobicContact CG-CD1 4.44Å; R464-L469 HydrophobicContact CB-CB 4.28Å; R464-L469 PolarHBondContact NH2-O 2.93Å; R464-L469 PolarHBondContact O-N 3.27Å; A467-L469 VanDerWaalsContact C-N 3.32Å; A467-L469 HydrophobicContact CB-CD1 3.91Å; A467-L469 HydrophobicContact CB-CG 3.9Å
470V94.3Very high91.9Very high30 Ų3060 Ų6018%0.18233%0.334CS..SBendtrans-103.7115.7176.2-179.60000108.9Q330 R464 L465Q330-V470 PolarHBondContact NE2-O 3.2Å; R464-V470 HydrophobicContact CB-CG2 3.89Å; L465-V470 HydrophobicContact CB-CG2 4.01Å; L465-V470 HydrophobicContact CD1-CB 4Å; L465-V470 HydrophobicContact CD1-CG1 4.42Å; L465-V470 HydrophobicContact CD1-CG2 4.26Å
471D93.4Very high91.3Very high146 Ų14660.3 Ų60.378%0.78134%0.337SS*.  trans-62.9133.8177.8-68.3-36.2000110.7
472P94.3Very high90.7Very high23 Ų2359.8 Ų59.815%0.14933%0.332CS..  trans-76.6142.6-179.327.5-24.7000110.2Q328 W474 V475Q328-P472 WeakPolarHBondContact O-CG 3.3Å; P472-W474 PolarHBondContact O-N 2.87Å; P472-W474 VanDerWaalsContact O-N 3.13Å; P472-V475 HydrophobicContact CG-CG2 4.28Å
473P92.8Very high89.7Confident53 Ų5360 Ų6034%0.34434%0.338SS..SBendtrans-69.1-10-179.925.4-33.3000113.8K292 R293 H296K292-P473 HydrophobicContact CB-CB 4.27Å; R293-P473 HydrophobicContact CB-CG 4.23Å; R293-P473 HydrophobicContact CG-CB 4.15Å; R293-P473 HydrophobicContact CG-CG 3.87Å; H296-P473 HydrophobicContact CB-CG 3.84Å
474W92.2Very high88.9Confident51 Ų5165.2 Ų65.219%0.19336%0.357CS..  trans-147.9133.5178.8-17993.1000110.1H274 I278 R293 L325 G329 P472 P476 Y482H274-W474 AromaticContact CE1-CH2 3.33Å; H274-W474 WeakPolarHBondContact CE1-CH2 3.33Å; H274-W474 AromaticContact CE1-CZ3 3.32Å; H274-W474 WeakPolarHBondContact CE1-CZ3 3.45Å; I278-W474 HydrophobicContact CD1-CH2 4.43Å; I278-W474 HydrophobicContact CD1-CZ2 4.09Å; R293-W474 HydrophobicContact CG-CB 4.04Å; R293-W474 VanDerWaalsContact NE-CB 3.29Å; L325-W474 HydrophobicContact CD2-CE3 3.96Å; L325-W474 HydrophobicContact CD2-CZ3 3.88Å; G329-W474 WeakPolarHBondContact CA-O 3.36Å; P472-W474 PolarHBondContact O-N 2.87Å; P472-W474 VanDerWaalsContact O-N 3.13Å; W474-P476 HydrophobicContact CE3-CG 4.46Å; W474-P476 HydrophobicContact CH2-CB 3.56Å; W474-P476 HydrophobicContact CH2-CG 4.02Å; W474-P476 HydrophobicContact CZ3-CB 3.67Å; W474-P476 HydrophobicContact CZ3-CG 3.56Å; W474-P476 VanDerWaalsContact CZ3-N 3.32Å; W474-Y482 HydrophobicContact CH2-CE1 4.02Å; W474-Y482 AromaticContact CH2-CZ 3.95Å; W474-Y482 HydrophobicContact CZ2-CE1 4.33Å
475V92.4Very high88Confident79 Ų7966.1 Ų66.148%0.47937%0.367SS..  trans-120.3129.9-178.8-174.10000109.3P472P472-V475 HydrophobicContact CG-CG2 4.28Å
476P90.1Very high86.8Confident7 Ų768 Ų685%0.04538%0.378CS..  trans-63.1147.5174.23-0.2000112.3D326 W474 Y482D326-P476 WeakPolarHBondContact O-CG 3.48Å; W474-P476 HydrophobicContact CE3-CG 4.46Å; W474-P476 HydrophobicContact CH2-CB 3.56Å; W474-P476 HydrophobicContact CH2-CG 4.02Å; W474-P476 HydrophobicContact CZ3-CB 3.67Å; W474-P476 HydrophobicContact CZ3-CG 3.56Å; W474-P476 VanDerWaalsContact CZ3-N 3.32Å; P476-Y482 HydrophobicContact CB-CD2 4Å; P476-Y482 HydrophobicContact CB-CE2 3.42Å; P476-Y482 VanDerWaalsContact CB-CE2 3.42Å
477K87.6Confident85.4Confident137 Ų13766.7 Ų66.760%0.59639%0.389SS*.  trans-71.4129.2175.9-67.9-179.5-179176.50109.7N479 V480 Y482K477-N479 PolarHBondContact O-N 3Å; K477-N479 VanDerWaalsContact O-N 3.16Å; K477-V480 HydrophobicContact CB-CB 4.12Å; K477-V480 HydrophobicContact CB-CG2 3.7Å; K477-V480 HydrophobicContact CD-CG2 4.15Å; K477-V480 PolarHBondContact O-N 3.29Å; K477-V480 VanDerWaalsContact O-N 3.15Å; K477-Y482 PolarHBondContact N-OH 3.35Å
478P80.8Confident84.4Confident106 Ų10671.1 Ų71.169%0.68841%0.409SS*.THydrogen-bonded Turntrans-66.7-21.8-172.425.9-35.1000113.9L17L17-P478 WeakPolarHBondContact CD2-O 3.47Å
479N82.1Confident83.4Confident121 Ų12169.8 Ų69.865%0.64739%0.391SS*.THydrogen-bonded Turntrans-100.511.7-178.651.4-25.5000113.4K477K477-N479 PolarHBondContact O-N 3Å; K477-N479 VanDerWaalsContact O-N 3.16Å
480V81.9Confident82.3Confident62 Ų6269.8 Ų69.838%0.37640%0.402SS..  trans-114.9132.1176.3177.40000108.7K477 Y482K477-V480 HydrophobicContact CB-CB 4.12Å; K477-V480 HydrophobicContact CB-CG2 3.7Å; K477-V480 HydrophobicContact CD-CG2 4.15Å; K477-V480 PolarHBondContact O-N 3.29Å; K477-V480 VanDerWaalsContact O-N 3.15Å; V480-Y482 HydrophobicContact CB-CD2 4.35Å; V480-Y482 HydrophobicContact CB-CE2 3.75Å; V480-Y482 HydrophobicContact CG1-CD1 4.41Å; V480-Y482 HydrophobicContact CG1-CD2 4.1Å; V480-Y482 HydrophobicContact CG1-CE1 4.13Å; V480-Y482 HydrophobicContact CG1-CE2 3.78Å; V480-Y482 HydrophobicContact CG1-CG 4.4Å; V480-Y482 WeakPolarHBondContact O-CD2 3.31Å
481V82.8Confident81.4Confident31 Ų3176.9 Ų76.919%0.18843%0.434CS..  trans-95.5109172.6-168.90000109.1N13 Y16 L17 A483N13-V481 HydrophobicContact CB-CG2 4.42Å; N13-V481 WeakPolarHBondContact OD1-CG2 3.46Å; Y16-V481 HydrophobicContact CD1-CG2 4.14Å; Y16-V481 HydrophobicContact CE1-CG1 4.23Å; Y16-V481 HydrophobicContact CE1-CG2 4.32Å; L17-V481 HydrophobicContact CD2-CG2 4.39Å; L17-V481 HydrophobicContact CG-CG2 4.48Å; V481-A483 HydrophobicContact CG1-CB 4.1Å; V481-A483 PolarHBondContact O-N 3.28Å
482Y82.1Confident80.6Confident31 Ų3173.4 Ų73.412%0.12241%0.412CS..  trans-81.454179.4-63.7-92.5000111.5G269 Y273 I278 W474 P476 K477 V480G269-Y482 WeakPolarHBondContact CA-O 3.48Å; Y273-Y482 HydrophobicContact CE1-CD1 4.1Å; I278-Y482 HydrophobicContact CD1-CD1 4.37Å; I278-Y482 HydrophobicContact CD1-CE1 4.02Å; W474-Y482 HydrophobicContact CH2-CE1 4.02Å; W474-Y482 AromaticContact CH2-CZ 3.95Å; W474-Y482 HydrophobicContact CZ2-CE1 4.33Å; P476-Y482 HydrophobicContact CB-CD2 4Å; P476-Y482 HydrophobicContact CB-CE2 3.42Å; P476-Y482 VanDerWaalsContact CB-CE2 3.42Å; K477-Y482 PolarHBondContact N-OH 3.35Å; V480-Y482 HydrophobicContact CB-CD2 4.35Å; V480-Y482 HydrophobicContact CB-CE2 3.75Å; V480-Y482 HydrophobicContact CG1-CD1 4.41Å; V480-Y482 HydrophobicContact CG1-CD2 4.1Å; V480-Y482 HydrophobicContact CG1-CE1 4.13Å; V480-Y482 HydrophobicContact CG1-CE2 3.78Å; V480-Y482 HydrophobicContact CG1-CG 4.4Å; V480-Y482 WeakPolarHBondContact O-CD2 3.31Å
483A75.1Confident79.9Confident31 Ų3176.8 Ų76.826%0.25644%0.436SS..SBendtrans-137.4159.4175.400000109.5V481V481-A483 HydrophobicContact CG1-CB 4.1Å; V481-A483 PolarHBondContact O-N 3.28Å
484K75.8Confident79.3Confident152 Ų15281.3 Ų81.366%0.66145%0.452SS*.  trans-59.3151.4174.1-66.3-175.3179.3-177.40110.7R190 I489R190-K484 PolarHBondContact NH2-O 3.13Å; K484-I489 HydrophobicContact CB-CG1 4.18Å
485D76.6Confident79Confident84 Ų8479.8 Ų79.845%0.44945%0.448SS..  trans-62.4142.2172.3-76.1-29.5000110.6N9 R190 G487 D488 I489N9-D485 PolarHBondContact ND2-OD1 3.22Å; R190-D485 IonicContact NH2-OD1 3.23Å; D485-G487 PolarHBondContact O-N 2.83Å; D485-G487 VanDerWaalsContact O-N 3.15Å; D485-D488 WeakPolarHBondContact O-CB 3.47Å; D485-D488 PolarHBondContact O-N 3.33Å; D485-I489 WeakPolarHBondContact O-CG1 3.11Å; D485-I489 PolarHBondContact O-N 3.01Å
486T71.8Confident78.7Confident41 Ų4183.4 Ų83.425%0.25246%0.457SS..G310 helixtrans-58.7-32.8-173.7460000112.2N9 R190 D488 I489N9-T486 PolarHBondContact OD1-N 3.22Å; N9-T486 PolarHBondContact OD1-OG1 2.61Å; R190-T486 HydrophobicContact CG-CG2 4.02Å; T486-D488 VanDerWaalsContact C-N 3.33Å; T486-D488 PolarHBondContact O-N 2.76Å; T486-I489 WeakPolarHBondContact O-CB 3.16Å; T486-I489 PolarHBondContact O-N 3.3Å
487G66.6Low78.7Confident64 Ų6486.9 Ų86.966%0.6649%0.494SS*.G310 helixtrans-66.9-27174.700000114.5D485 I489D485-G487 PolarHBondContact O-N 2.83Å; D485-G487 VanDerWaalsContact O-N 3.15Å; G487-I489 VanDerWaalsContact C-N 3.28Å
488D72Confident78.9Confident120 Ų12082.3 Ų82.364%0.64248%0.476SS*.G310 helixtrans-84.1-7.2178-66.8-25000112.6D485 T486 A490D485-D488 WeakPolarHBondContact O-CB 3.47Å; D485-D488 PolarHBondContact O-N 3.33Å; T486-D488 VanDerWaalsContact C-N 3.33Å; T486-D488 PolarHBondContact O-N 2.76Å; D488-A490 PolarHBondContact O-N 2.81Å
489I72.3Confident79.5Confident17 Ų1785.3 Ų85.39%0.08748%0.481CS..SBendtrans-86.392.6-179.1-59.4177.1000108.8T191 K194 K484 D485 T486 G487 E491T191-I489 HydrophobicContact CG2-CD1 4.19Å; T191-I489 HydrophobicContact CG2-CG2 4.37Å; K194-I489 HydrophobicContact CB-CG2 3.99Å; K194-I489 HydrophobicContact CD-CG2 3.33Å; K194-I489 HydrophobicContact CG-CG2 3.41Å; K194-I489 VanDerWaalsContact CG-CG2 3.41Å; K194-I489 PolarHBondContact NZ-O 3.46Å; K484-I489 HydrophobicContact CB-CG1 4.18Å; D485-I489 WeakPolarHBondContact O-CG1 3.11Å; D485-I489 PolarHBondContact O-N 3.01Å; T486-I489 WeakPolarHBondContact O-CB 3.16Å; T486-I489 PolarHBondContact O-N 3.3Å; G487-I489 VanDerWaalsContact C-N 3.28Å; I489-E491 PolarHBondContact O-N 2.99Å
490A71.9Confident80.2Confident79 Ų7983 Ų8365%0.65347%0.465SS*.  trans-41.3131-176.900000114.7K194 D488K194-A490 WeakPolarHBondContact CD-O 3.24Å; K194-A490 WeakPolarHBondContact CE-O 3.12Å; K194-A490 PolarHBondContact NZ-O 3.41Å; D488-A490 PolarHBondContact O-N 2.81Å
491E74.4Confident80.8Confident179 Ų17983.5 Ų83.584%0.83647%0.466SS*.PPolyproline II helixtrans-69.4148178.3-67.7-165.5169.800113.1I489I489-E491 PolarHBondContact O-N 2.99Å
492F77.1Confident81.5Confident74 Ų7485.9 Ų85.933%0.32549%0.489SS..PPolyproline II helixtrans-85.6131.4174.4-75.2-52.1000110.6K194 G195 G198 E199 R221K194-F492 HydrophobicContact CB-CE2 4.21Å; K194-F492 HydrophobicContact CB-CZ 3.88Å; K194-F492 HydrophobicContact CD-CD2 4.08Å; K194-F492 HydrophobicContact CD-CE2 3.62Å; K194-F492 HydrophobicContact CD-CZ 3.95Å; K194-F492 HydrophobicContact CG-CE2 3.79Å; K194-F492 HydrophobicContact CG-CZ 3.99Å; G195-F492 VanDerWaalsContact O-CZ 3.26Å; G195-F492 WeakPolarHBondContact O-CZ 3.46Å; G198-F492 VanDerWaalsContact C-CE2 3.48Å; G198-F492 WeakPolarHBondContact O-CE2 3.44Å; G198-F492 WeakPolarHBondContact O-CZ 3.32Å; E199-F492 HydrophobicContact CB-CE2 4.34Å; R221-F492 VanDerWaalsContact NH1-CE1 3.3Å
493S79.3Confident82.1Confident94 Ų9492.6 Ų92.666%0.65752%0.518SS*.PPolyproline II helixtrans-63.3138.8166.253.40000111.4R221R221-S493 PolarHBondContact NH2-O 3.07Å
494E80.3Confident83.1Confident147 Ų14791.6 Ų91.669%0.68751%0.509SS*.PPolyproline II helixtrans-65.8136.1177.4-162.1-171.1176.800110.6K496E494-K496 WeakPolarHBondContact OE2-CE 3.04Å; E494-K496 IonicContact OE2-NZ 3.86Å; E494-K496 PolarHBondContact OE2-NZ 3.45Å
495I85.9Confident84Confident19 Ų1988.3 Ų88.310%0.09750%0.498CS..  trans-101111.1176.9-60.8179.7000109K220 R221 K224 I498K220-I495 HydrophobicContact CB-CB 4.18Å; K220-I495 HydrophobicContact CB-CG2 4Å; K220-I495 WeakPolarHBondContact CD-O 3.34Å; R221-I495 HydrophobicContact CB-CD1 3.46Å; R221-I495 VanDerWaalsContact CB-CD1 3.46Å; R221-I495 HydrophobicContact CG-CD1 3.79Å; K224-I495 HydrophobicContact CD-CD1 4.3Å; K224-I495 HydrophobicContact CD-CG2 4.13Å; I495-I498 HydrophobicContact CG2-CG1 3.64Å
496K87.1Confident85Confident156 Ų15691.4 Ų91.468%0.67851%0.508SS*.  trans-101.9160.6176.6-58.6-173.4179.5-178.10110.9E494 I498E494-K496 WeakPolarHBondContact OE2-CE 3.04Å; E494-K496 IonicContact OE2-NZ 3.86Å; E494-K496 PolarHBondContact OE2-NZ 3.45Å; K496-I498 VanDerWaalsContact C-N 3.34Å; K496-I498 PolarHBondContact O-N 2.8Å
497G88.8Confident86.1Confident80 Ų8090.5 Ų90.583%0.82550%0.501SS*.SBendtrans72.817.6173.100000116
498I92.1Very high87.5Confident40 Ų4087.9 Ų87.921%0.20547%0.471CS..  trans-104.4119172-60.1-63.7000108.6K220 K223 K224 I495 K496 F500K220-I498 HydrophobicContact CB-CB 4.22Å; K220-I498 HydrophobicContact CB-CG2 4.29Å; K220-I498 HydrophobicContact CD-CB 4.36Å; K220-I498 HydrophobicContact CG-CB 4.11Å; K220-I498 HydrophobicContact CG-CG2 4.2Å; K223-I498 HydrophobicContact CB-CG2 4.22Å; K223-I498 HydrophobicContact CD-CG2 3.85Å; K223-I498 HydrophobicContact CG-CG2 4.2Å; K224-I498 HydrophobicContact CB-CD1 4.33Å; I495-I498 HydrophobicContact CG2-CG1 3.64Å; K496-I498 VanDerWaalsContact C-N 3.34Å; K496-I498 PolarHBondContact O-N 2.8Å; I498-F500 HydrophobicContact CG2-CE1 4.28Å
499E93.8Very high88.6Confident169 Ų16990 Ų9079%0.7948%0.475SS*.  trans-105.7146.4171.3-65.4-175171.800110.1K223K223-E499 PolarHBondContact NZ-O 2.87Å
500F96.2Very high89.7Confident73 Ų7393.6 Ų93.632%0.3249%0.491SS..  trans-94.6141.7177.2-59.1-53.9000110.3K219 K220 K223 I498 D504 F508K219-F500 HydrophobicContact CB-CE1 3.95Å; K219-F500 HydrophobicContact CB-CE2 4.29Å; K219-F500 HydrophobicContact CB-CZ 3.47Å; K219-F500 VanDerWaalsContact CB-CZ 3.47Å; K220-F500 HydrophobicContact CG-CE1 4.34Å; K220-F500 HydrophobicContact CG-CE2 4.39Å; K220-F500 HydrophobicContact CG-CZ 3.67Å; K223-F500 HydrophobicContact CD-CD1 4.17Å; K223-F500 HydrophobicContact CD-CE1 4.48Å; I498-F500 HydrophobicContact CG2-CE1 4.28Å; F500-D504 VanDerWaalsContact CA-OD2 3.23Å; F500-D504 WeakPolarHBondContact CA-OD2 3.45Å; F500-D504 HydrophobicContact CB-CB 4.05Å; F500-D504 HydrophobicContact CD1-CB 4.12Å; F500-D504 HydrophobicContact CG-CB 4.44Å; F500-F508 HydrophobicContact CB-CE2 4.48Å; F500-F508 HydrophobicContact CD1-CE2 4.13Å; F500-F508 AromaticContact CD1-CZ 3.81Å; F500-F508 HydrophobicContact CD1-CZ 3.81Å; F500-F508 HydrophobicContact CD2-CE2 4.3Å; F500-F508 HydrophobicContact CE1-CE2 4.47Å; F500-F508 AromaticContact CE1-CZ 3.87Å; F500-F508 HydrophobicContact CE1-CZ 3.87Å; F500-F508 HydrophobicContact CG-CE2 4.05Å; F500-F508 HydrophobicContact CG-CZ 4.21Å; F500-F508 HydrophobicContact CZ-CZ 4.3Å
501D95.4Very high90.9Very high73 Ų7389.9 Ų89.939%0.3946%0.46SS..  trans-115.1178.2176.36457.5000110.9K223 K503 D504 D505K223-D501 IonicContact NZ-OD2 2.65Å; K223-D501 PolarHBondContact NZ-OD2 3.44Å; D501-K503 PolarHBondContact O-N 3.1Å; D501-K503 VanDerWaalsContact O-N 3.13Å; D501-K503 WeakPolarHBondContact OD1-CA 3.32Å; D501-K503 VanDerWaalsContact OD1-CB 3.24Å; D501-K503 WeakPolarHBondContact OD1-CB 3.48Å; D501-K503 PolarHBondContact OD1-N 3.32Å; D501-D504 PolarHBondContact N-OD2 3.22Å; D501-D504 WeakPolarHBondContact O-CB 3.27Å; D501-D504 PolarHBondContact O-N 3.28Å; D501-D504 PolarHBondContact OD1-N 3.16Å; D501-D505 PolarHBondContact O-N 3.47Å; D501-D505 VanDerWaalsContact O-N 3.14Å
502A96.5Very high92Very high81 Ų8183 Ų8367%0.66943%0.431SS*.Hα-helixtrans-60.9-24-176.600000114.1K506A502-K506 PolarHBondContact O-N 3.16Å; A502-K506 VanDerWaalsContact O-N 3.15Å
503K95.7Very high92.9Very high171 Ų17182.8 Ų82.874%0.74344%0.437SS*.Hα-helixtrans-73.5-38.3175.8-60-179.4-178.4174.40110.5D501 K506 F507D501-K503 PolarHBondContact O-N 3.1Å; D501-K503 VanDerWaalsContact O-N 3.13Å; D501-K503 WeakPolarHBondContact OD1-CA 3.32Å; D501-K503 VanDerWaalsContact OD1-CB 3.24Å; D501-K503 WeakPolarHBondContact OD1-CB 3.48Å; D501-K503 PolarHBondContact OD1-N 3.32Å; K503-K506 PolarHBondContact O-N 3.28Å; K503-F507 WeakPolarHBondContact O-CB 3.37Å; K503-F507 PolarHBondContact O-N 3.32Å
504D96.1Very high93.8Very high10 Ų1079 Ų795%0.05341%0.412CS..Hα-helixtrans-62.7-45.7174.2-58.3-56.8000110.8K223 F500 D501 K506 F507 F508K223-D504 WeakPolarHBondContact CE-OD2 3.43Å; K223-D504 IonicContact NZ-OD1 3.05Å; K223-D504 IonicContact NZ-OD2 3.49Å; K223-D504 PolarHBondContact NZ-OD2 2.62Å; F500-D504 VanDerWaalsContact CA-OD2 3.23Å; F500-D504 WeakPolarHBondContact CA-OD2 3.45Å; F500-D504 HydrophobicContact CB-CB 4.05Å; F500-D504 HydrophobicContact CD1-CB 4.12Å; F500-D504 HydrophobicContact CG-CB 4.44Å; D501-D504 PolarHBondContact N-OD2 3.22Å; D501-D504 WeakPolarHBondContact O-CB 3.27Å; D501-D504 PolarHBondContact O-N 3.28Å; D501-D504 PolarHBondContact OD1-N 3.16Å; D504-K506 VanDerWaalsContact C-N 3.29Å; D504-K506 PolarHBondContact O-N 3.26Å; D504-F507 CarbonylContact O-C 3.59Å; D504-F507 WeakPolarHBondContact O-CB 3.39Å; D504-F507 PolarHBondContact O-N 2.83Å; D504-F507 VanDerWaalsContact O-N 3.1Å; D504-F508 HydrophobicContact CB-CE1 4.4Å; D504-F508 HydrophobicContact CB-CE2 3.79Å; D504-F508 HydrophobicContact CB-CZ 3.72Å; D504-F508 WeakPolarHBondContact O-CD1 3.25Å; D504-F508 VanDerWaalsContact O-CD2 3.26Å; D504-F508 WeakPolarHBondContact O-CD2 3.39Å; D504-F508 WeakPolarHBondContact O-CG 3.42Å; D504-F508 PolarHBondContact O-N 3.31Å
505D95.1Very high94.6Very high83 Ų8372.7 Ų72.744%0.44439%0.385SS..Hα-helixtrans-61.5-38.5178.9-73.1-25.4000112.2D501 K509D501-D505 PolarHBondContact O-N 3.47Å; D501-D505 VanDerWaalsContact O-N 3.14Å; D505-K509 WeakPolarHBondContact O-CG 3.39Å; D505-K509 PolarHBondContact O-N 3.43Å; D505-K509 VanDerWaalsContact O-N 3.12Å
506K95.8Very high95.2Very high150 Ų15072.2 Ų72.265%0.65238%0.383SS*.Hα-helixtrans-63.6-46.3173.4-175.5-177.9176.6-175.50111A502 K503 D504 F508 K509 E510A502-K506 PolarHBondContact O-N 3.16Å; A502-K506 VanDerWaalsContact O-N 3.15Å; K503-K506 PolarHBondContact O-N 3.28Å; D504-K506 VanDerWaalsContact C-N 3.29Å; D504-K506 PolarHBondContact O-N 3.26Å; K506-F508 PolarHBondContact O-N 3.2Å; K506-K509 PolarHBondContact O-N 2.84Å; K506-E510 PolarHBondContact O-N 2.77Å
507F96Very high95.7Very high22 Ų2266.5 Ų66.510%0.09636%0.362CS..Hα-helixtrans-60.5-43.3177.6159.6-115.3000112L222 E228 L232 L259 K503 D504 K509 E510 F511L222-F507 HydrophobicContact CD2-CE1 3.43Å; L222-F507 VanDerWaalsContact CD2-CE1 3.43Å; L222-F507 HydrophobicContact CD2-CZ 3.47Å; L222-F507 VanDerWaalsContact CD2-CZ 3.47Å; E228-F507 HydrophobicContact CB-CD1 4.32Å; E228-F507 HydrophobicContact CB-CD2 4.46Å; E228-F507 HydrophobicContact CB-CE1 4.08Å; E228-F507 HydrophobicContact CB-CE2 4.24Å; E228-F507 HydrophobicContact CB-CZ 4.04Å; E228-F507 HydrophobicContact CG-CD1 4.09Å; E228-F507 HydrophobicContact CG-CE1 3.93Å; E228-F507 HydrophobicContact CG-CZ 4.39Å; L232-F507 HydrophobicContact CB-CE2 4.13Å; L259-F507 HydrophobicContact CD1-CE1 3.51Å; L259-F507 HydrophobicContact CD1-CE2 4.39Å; L259-F507 HydrophobicContact CD1-CZ 3.36Å; K503-F507 WeakPolarHBondContact O-CB 3.37Å; K503-F507 PolarHBondContact O-N 3.32Å; D504-F507 CarbonylContact O-C 3.59Å; D504-F507 WeakPolarHBondContact O-CB 3.39Å; D504-F507 PolarHBondContact O-N 2.83Å; D504-F507 VanDerWaalsContact O-N 3.1Å; F507-K509 VanDerWaalsContact C-N 3.34Å; F507-K509 PolarHBondContact O-N 3.48Å; F507-E510 PolarHBondContact O-N 3.04Å; F507-F511 HydrophobicContact CE2-CD2 4.4Å; F507-F511 WeakPolarHBondContact O-CB 3.42Å; F507-F511 PolarHBondContact O-N 2.79Å
508F96.4Very high96.1Very high9 Ų964 Ų644%0.03933%0.329CS..Hα-helixtrans-62-42177.2-56.5-27.3000111.7K219 L259 F500 D504 K506 F511 S512K219-F508 HydrophobicContact CB-CE1 4.14Å; K219-F508 HydrophobicContact CB-CZ 3.97Å; K219-F508 HydrophobicContact CD-CD1 4.13Å; K219-F508 HydrophobicContact CD-CD2 4.14Å; K219-F508 HydrophobicContact CD-CE1 3.8Å; K219-F508 HydrophobicContact CD-CE2 3.83Å; K219-F508 HydrophobicContact CD-CG 4.29Å; K219-F508 HydrophobicContact CD-CZ 3.64Å; K219-F508 HydrophobicContact CG-CD1 4.31Å; K219-F508 HydrophobicContact CG-CE1 3.73Å; K219-F508 HydrophobicContact CG-CZ 3.88Å; L259-F508 HydrophobicContact CD1-CD1 4.4Å; L259-F508 HydrophobicContact CD2-CB 4.38Å; L259-F508 HydrophobicContact CD2-CD1 3.81Å; L259-F508 HydrophobicContact CD2-CG 4.38Å; L259-F508 HydrophobicContact CG-CD1 4.45Å; F500-F508 HydrophobicContact CB-CE2 4.48Å; F500-F508 HydrophobicContact CD1-CE2 4.13Å; F500-F508 AromaticContact CD1-CZ 3.81Å; F500-F508 HydrophobicContact CD1-CZ 3.81Å; F500-F508 HydrophobicContact CD2-CE2 4.3Å; F500-F508 HydrophobicContact CE1-CE2 4.47Å; F500-F508 AromaticContact CE1-CZ 3.87Å; F500-F508 HydrophobicContact CE1-CZ 3.87Å; F500-F508 HydrophobicContact CG-CE2 4.05Å; F500-F508 HydrophobicContact CG-CZ 4.21Å; F500-F508 HydrophobicContact CZ-CZ 4.3Å; D504-F508 HydrophobicContact CB-CE1 4.4Å; D504-F508 HydrophobicContact CB-CE2 3.79Å; D504-F508 HydrophobicContact CB-CZ 3.72Å; D504-F508 WeakPolarHBondContact O-CD1 3.25Å; D504-F508 VanDerWaalsContact O-CD2 3.26Å; D504-F508 WeakPolarHBondContact O-CD2 3.39Å; D504-F508 WeakPolarHBondContact O-CG 3.42Å; D504-F508 PolarHBondContact O-N 3.31Å; K506-F508 PolarHBondContact O-N 3.2Å; F508-F511 PolarHBondContact O-N 3.08Å; F508-S512 PolarHBondContact O-N 3.2Å; F508-S512 VanDerWaalsContact O-N 3.09Å; F508-S512 PolarHBondContact O-OG 2.9Å
509K94.6Very high96.3Very high165 Ų16562.9 Ų62.972%0.71733%0.325SS*.Hα-helixtrans-65.6-38.5175.7-71.5173.5-177.2177.70113D505 K506 F507 F511D505-K509 WeakPolarHBondContact O-CG 3.39Å; D505-K509 PolarHBondContact O-N 3.43Å; D505-K509 VanDerWaalsContact O-N 3.12Å; K506-K509 PolarHBondContact O-N 2.84Å; F507-K509 VanDerWaalsContact C-N 3.34Å; F507-K509 PolarHBondContact O-N 3.48Å; K509-F511 VanDerWaalsContact C-N 3.3Å
510E95.8Very high96.5Very high92 Ų9255 Ų5543%0.4329%0.288SS..Hα-helixtrans-67.8-33176.8-172.5178.116800112.1L232 K506 F507L232-E510 HydrophobicContact CD1-CG 4.2Å; K506-E510 PolarHBondContact O-N 2.77Å; F507-E510 PolarHBondContact O-N 3.04Å
511F97Very high96.6Very high0 Ų051.6 Ų51.60%027%0.273CS..Hα-helixtrans-70-43.7176.1-170-82.8000112.3L217 A231 K235 A252 L259 L261 F507 F508 K509 T513L217-F511 HydrophobicContact CD1-CZ 4.45Å; A231-F511 HydrophobicContact CB-CE2 4.36Å; K235-F511 HydrophobicContact CB-CD2 4.25Å; K235-F511 HydrophobicContact CB-CE2 3.83Å; K235-F511 HydrophobicContact CB-CZ 4.35Å; K235-F511 VanDerWaalsContact CE-O 3.22Å; K235-F511 WeakPolarHBondContact CE-O 3.31Å; K235-F511 HydrophobicContact CG-CD2 4.31Å; K235-F511 HydrophobicContact CG-CE2 4.11Å; K235-F511 HydrophobicContact CG-CZ 4.35Å; A252-F511 HydrophobicContact CB-CE1 4.47Å; L259-F511 HydrophobicContact CB-CD1 3.91Å; L259-F511 HydrophobicContact CB-CE1 3.6Å; L259-F511 HydrophobicContact CB-CE2 4.33Å; L259-F511 HydrophobicContact CB-CG 4.39Å; L259-F511 HydrophobicContact CB-CZ 3.79Å; L259-F511 HydrophobicContact CD1-CB 4.5Å; L259-F511 HydrophobicContact CD1-CD1 4.33Å; L259-F511 HydrophobicContact CD1-CD2 3.91Å; L259-F511 HydrophobicContact CD1-CE2 4.13Å; L259-F511 HydrophobicContact CD1-CG 3.99Å; L259-F511 HydrophobicContact CD1-CZ 4.43Å; L259-F511 HydrophobicContact CD2-CB 4.3Å; L259-F511 HydrophobicContact CD2-CD1 3.95Å; L259-F511 HydrophobicContact CD2-CG 4.13Å; L259-F511 HydrophobicContact CG-CD1 4.29Å; L259-F511 HydrophobicContact CG-CE1 4.44Å; L259-F511 HydrophobicContact CG-CG 4.41Å; L261-F511 HydrophobicContact CD1-CZ 4.25Å; L261-F511 HydrophobicContact CD2-CE1 3.84Å; L261-F511 HydrophobicContact CD2-CE2 4.23Å; L261-F511 HydrophobicContact CD2-CZ 3.4Å; L261-F511 VanDerWaalsContact CD2-CZ 3.4Å; L261-F511 HydrophobicContact CG-CE1 4.32Å; L261-F511 HydrophobicContact CG-CZ 3.68Å; F507-F511 HydrophobicContact CE2-CD2 4.4Å; F507-F511 WeakPolarHBondContact O-CB 3.42Å; F507-F511 PolarHBondContact O-N 2.79Å; F508-F511 PolarHBondContact O-N 3.08Å; K509-F511 VanDerWaalsContact C-N 3.3Å; F511-T513 PolarHBondContact O-N 2.98Å; F511-T513 PolarHBondContact O-OG1 3.3Å
512S96.3Very high96.7Very high34 Ų3451.7 Ų51.724%0.23827%0.271CS..  trans-79.986.1-173.9-63.40000112.8A252 Y253 D254 F508A252-S512 CarbonylContact O-C 3.48Å; Y253-S512 VanDerWaalsContact C-OG 3.32Å; D254-S512 VanDerWaalsContact CB-OG 3.24Å; D254-S512 WeakPolarHBondContact CB-OG 3.47Å; D254-S512 VanDerWaalsContact CG-OG 3.26Å; D254-S512 PolarHBondContact N-OG 3.15Å; D254-S512 WeakPolarHBondContact OD1-CB 3.37Å; D254-S512 PolarHBondContact OD1-OG 2.82Å; F508-S512 PolarHBondContact O-N 3.2Å; F508-S512 VanDerWaalsContact O-N 3.09Å; F508-S512 PolarHBondContact O-OG 2.9Å
513T96.8Very high96.8Very high71 Ų7148 Ų4844%0.43624%0.24SC..  trans-100.1-4.8-176.534.90000113.8K235 E239 A252 F511K235-T513 WeakPolarHBondContact CE-OG1 3.49Å; K235-T513 PolarHBondContact NZ-OG1 3.26Å; E239-T513 PolarHBondContact OE1-OG1 2.89Å; A252-T513 PolarHBondContact O-N 3.42Å; A252-T513 VanDerWaalsContact O-N 3.1Å; F511-T513 PolarHBondContact O-N 2.98Å; F511-T513 PolarHBondContact O-OG1 3.3Å
514G97.6Very high96.9Very high14 Ų1439.9 Ų39.914%0.14421%0.205CC..EExtended strand (participates in β ladder)trans81-137.1178.200000112.1Y251 A252Y251-G514 CarbonylContact C-O 3.51Å; Y251-G514 VanDerWaalsContact CA-O 3.24Å; Y251-G514 WeakPolarHBondContact CA-O 3.44Å; A252-G514 PolarHBondContact N-O 2.83Å; A252-G514 PolarHBondContact O-N 3.01Å
515A97.9Very high96.9Very high15 Ų1541.2 Ų41.212%0.12421%0.212CC..EExtended strand (participates in β ladder)trans-74.5137.8179.600000111.7E177 Y251 W520E177-A515 HydrophobicContact CG-CB 4.16Å; Y251-A515 HydrophobicContact CD1-CB 3.98Å; Y251-A515 HydrophobicContact CE1-CB 4.02Å; A515-W520 HydrophobicContact CB-CB 4.09Å; A515-W520 HydrophobicContact CB-CG 3.8Å
516V98.1Very high96.9Very high9 Ų942.4 Ų42.46%0.05522%0.218CC..  trans-89.1123.5172-177.80000108.4E239 L249 A250 I518 P519 W520E239-V516 HydrophobicContact CG-CG2 4.17Å; L249-V516 HydrophobicContact CB-CG2 4.36Å; L249-V516 HydrophobicContact CD2-CG2 3.88Å; L249-V516 HydrophobicContact CG-CG2 3.83Å; L249-V516 WeakPolarHBondContact O-CB 3.39Å; L249-V516 WeakPolarHBondContact O-CG1 3.35Å; L249-V516 WeakPolarHBondContact O-CG2 3.46Å; A250-V516 PolarHBondContact O-N 2.97Å; V516-I518 PolarHBondContact O-N 3.35Å; V516-P519 HydrophobicContact CG1-CG 4.5Å; V516-P519 WeakPolarHBondContact O-CD 3.41Å; V516-W520 WeakPolarHBondContact O-CB 3.26Å; V516-W520 PolarHBondContact O-N 3.23Å; V516-W520 VanDerWaalsContact O-N 3.07Å
517P97Very high96.8Very high35 Ų3536.6 Ų36.623%0.22720%0.195CC..Hα-helixtrans-55.4-50.1-163.8-2932.9000115.5E177 Q521E177-P517 WeakPolarHBondContact OE1-CG 3.2Å; P517-Q521 VanDerWaalsContact O-CB 3.3Å; P517-Q521 WeakPolarHBondContact O-CB 3.11Å; P517-Q521 WeakPolarHBondContact O-CG 3.26Å; P517-Q521 PolarHBondContact O-N 3.17Å
518I97.4Very high96.7Very high27 Ų2736.6 Ų36.614%0.13820%0.201CC..Hα-helixtrans-67.9-54.5-171.5-62.8169.8000111.2R59 Q60 P61 N242 V516 W520 Q521 Q522R59-I518 HydrophobicContact CB-CD1 4.1Å; Q60-I518 HydrophobicContact CG-CG1 4.41Å; P61-I518 HydrophobicContact CG-CG2 4.18Å; N242-I518 HydrophobicContact CB-CD1 4.41Å; V516-I518 PolarHBondContact O-N 3.35Å; I518-W520 VanDerWaalsContact C-N 3.34Å; I518-W520 PolarHBondContact O-N 3.07Å; I518-Q521 PolarHBondContact O-N 3.13Å; I518-Q522 PolarHBondContact O-N 2.66Å
519P97.8Very high96.5Very high18 Ų1836.1 Ų36.112%0.11720%0.199CC..Hα-helixtrans-66.2-35179.7-25.139.8000113N248 L249 A250 V516 Q522 E523N248-P519 HydrophobicContact CB-CG 4Å; L249-P519 WeakPolarHBondContact O-CG 3.26Å; A250-P519 HydrophobicContact CB-CB 4.15Å; V516-P519 HydrophobicContact CG1-CG 4.5Å; V516-P519 WeakPolarHBondContact O-CD 3.41Å; P519-Q522 PolarHBondContact O-N 2.79Å; P519-E523 PolarHBondContact O-N 2.72Å
520W98.1Very high96.6Very high3 Ų328.8 Ų28.81%0.01117%0.167CC..Hα-helixtrans-63.5-44.8176.4-179.890.9000112.1I62 W173 Y176 E177 Y251 A515 V516 I518 Q522 E523 M524I62-W520 HydrophobicContact CD1-CZ3 4.45Å; W173-W520 AromaticContact CE3-CH2 3.86Å; W173-W520 HydrophobicContact CE3-CH2 3.86Å; W173-W520 HydrophobicContact CE3-CZ3 4.22Å; W173-W520 HydrophobicContact CZ3-CH2 4.24Å; Y176-W520 AromaticContact CD1-CH2 3.66Å; Y176-W520 HydrophobicContact CD1-CH2 3.66Å; Y176-W520 AromaticContact CD1-CZ2 3.54Å; Y176-W520 HydrophobicContact CD1-CZ2 3.54Å; Y176-W520 HydrophobicContact CE1-CH2 4.48Å; Y176-W520 HydrophobicContact CE1-CZ2 4.01Å; E177-W520 HydrophobicContact CB-CD2 4.29Å; E177-W520 HydrophobicContact CB-CE3 3.87Å; E177-W520 HydrophobicContact CB-CH2 3.69Å; E177-W520 HydrophobicContact CB-CZ2 4.14Å; E177-W520 HydrophobicContact CB-CZ3 3.57Å; E177-W520 HydrophobicContact CG-CD2 3.83Å; E177-W520 HydrophobicContact CG-CE3 3.57Å; E177-W520 HydrophobicContact CG-CG 4.38Å; E177-W520 HydrophobicContact CG-CH2 4.28Å; E177-W520 HydrophobicContact CG-CZ3 3.83Å; Y251-W520 AromaticContact CE1-CD1 3.51Å; Y251-W520 AromaticContact CZ-CD1 3.71Å; A515-W520 HydrophobicContact CB-CB 4.09Å; A515-W520 HydrophobicContact CB-CG 3.8Å; V516-W520 WeakPolarHBondContact O-CB 3.26Å; V516-W520 PolarHBondContact O-N 3.23Å; V516-W520 VanDerWaalsContact O-N 3.07Å; I518-W520 VanDerWaalsContact C-N 3.34Å; I518-W520 PolarHBondContact O-N 3.07Å; W520-Q522 VanDerWaalsContact C-N 3.33Å; W520-Q522 PolarHBondContact O-N 3.28Å; W520-E523 WeakPolarHBondContact O-CB 3.2Å; W520-E523 PolarHBondContact O-N 2.79Å; W520-M524 HydrophobicContact CD2-CE 4.12Å; W520-M524 HydrophobicContact CD2-CG 4.06Å; W520-M524 HydrophobicContact CD2-SD 4.45Å; W520-M524 HydrophobicContact CE3-CG 3.94Å; W520-M524 HydrophobicContact CG-CE 4.28Å; W520-M524 HydrophobicContact CH2-CG 3.82Å; W520-M524 HydrophobicContact CH2-SD 4.19Å; W520-M524 HydrophobicContact CZ2-CE 4.21Å; W520-M524 HydrophobicContact CZ2-CG 3.91Å; W520-M524 HydrophobicContact CZ2-SD 3.72Å; W520-M524 HydrophobicContact CZ3-CG 3.82Å; W520-M524 WeakPolarHBondContact O-CE 3.36Å; W520-M524 WeakPolarHBondContact O-CG 3.39Å; W520-M524 PolarHBondContact O-N 2.91Å
521Q98.4Very high96.5Very high1 Ų128.7 Ų28.71%0.00517%0.17CC..Hα-helixtrans-65.5-38.7177.4-74.7-179.428.100111.9P61 I62 E177 P517 I518 E523 M524 I525P61-Q521 HydrophobicContact CB-CB 4.1Å; P61-Q521 HydrophobicContact CG-CB 4.09Å; I62-Q521 HydrophobicContact CB-CB 4.4Å; I62-Q521 HydrophobicContact CB-CG 4.24Å; I62-Q521 HydrophobicContact CD1-CB 4.04Å; I62-Q521 HydrophobicContact CD1-CG 3.86Å; I62-Q521 HydrophobicContact CG1-CB 3.92Å; I62-Q521 HydrophobicContact CG1-CG 4.06Å; E177-Q521 PolarHBondContact OE2-NE2 2.89Å; P517-Q521 VanDerWaalsContact O-CB 3.3Å; P517-Q521 WeakPolarHBondContact O-CB 3.11Å; P517-Q521 WeakPolarHBondContact O-CG 3.26Å; P517-Q521 PolarHBondContact O-N 3.17Å; I518-Q521 PolarHBondContact O-N 3.13Å; Q521-E523 VanDerWaalsContact C-N 3.32Å; Q521-M524 PolarHBondContact O-N 3.39Å; Q521-I525 WeakPolarHBondContact O-CG1 3.33Å; Q521-I525 PolarHBondContact O-N 2.98Å
522Q97.5Very high96.3Very high76 Ų7631.5 Ų31.536%0.35518%0.183SC..Hα-helixtrans-60.8-43.9174.5-168.461.853.100110.8P61 I518 P519 W520 M524 I525 D526P61-Q522 HydrophobicContact CG-CB 4.14Å; I518-Q522 PolarHBondContact O-N 2.66Å; P519-Q522 PolarHBondContact O-N 2.79Å; W520-Q522 VanDerWaalsContact C-N 3.33Å; W520-Q522 PolarHBondContact O-N 3.28Å; Q522-M524 PolarHBondContact O-N 3.04Å; Q522-I525 PolarHBondContact O-N 3.32Å; Q522-D526 WeakPolarHBondContact CG-OD2 3.44Å; Q522-D526 PolarHBondContact NE2-OD1 2.82Å; Q522-D526 PolarHBondContact NE2-OD2 3.36Å; Q522-D526 WeakPolarHBondContact O-CB 3.04Å; Q522-D526 VanDerWaalsContact O-CG 3.27Å; Q522-D526 PolarHBondContact O-N 3.37Å
523E97.2Very high96.1Very high3 Ų330.4 Ų30.41%0.01417%0.174CC..Hα-helixtrans-58.8-43.7174.4176.4-174.1155.600112.7V205 T208 Q210 Y212 Y251 P519 W520 Q521 I525 D526 T527V205-E523 WeakPolarHBondContact CG1-OE1 3.38Å; V205-E523 WeakPolarHBondContact CG2-OE1 3.48Å; T208-E523 VanDerWaalsContact CB-OE1 3.23Å; T208-E523 WeakPolarHBondContact CB-OE1 3.4Å; T208-E523 HydrophobicContact CG2-CG 4.12Å; T208-E523 WeakPolarHBondContact CG2-OE1 3.42Å; T208-E523 PolarHBondContact OG1-OE1 3.27Å; Q210-E523 HydrophobicContact CB-CG 3.68Å; Q210-E523 HydrophobicContact CG-CG 3.88Å; Y212-E523 WeakPolarHBondContact CE2-OE2 3.38Å; Y212-E523 VanDerWaalsContact CZ-OE2 3.23Å; Y212-E523 PolarHBondContact OH-OE2 2.89Å; Y251-E523 PolarHBondContact OH-OE1 3.42Å; Y251-E523 PolarHBondContact OH-OE2 3.45Å; P519-E523 PolarHBondContact O-N 2.72Å; W520-E523 WeakPolarHBondContact O-CB 3.2Å; W520-E523 PolarHBondContact O-N 2.79Å; Q521-E523 VanDerWaalsContact C-N 3.32Å; E523-I525 PolarHBondContact O-N 3.31Å; E523-D526 PolarHBondContact O-N 3.48Å; E523-T527 HydrophobicContact CG-CG2 4.2Å; E523-T527 WeakPolarHBondContact O-CB 3.41Å; E523-T527 VanDerWaalsContact O-CG2 3.32Å; E523-T527 WeakPolarHBondContact O-CG2 3.48Å; E523-T527 PolarHBondContact O-N 3.5Å; E523-T527 PolarHBondContact O-OG1 3.15Å
524M97.6Very high95.9Very high0 Ų028.3 Ų28.30%016%0.162CC..Hα-helixtrans-59.3-39.5178.1-61-52.9102.800111I62 W173 T208 W520 Q521 Q522 L529 Y530I62-M524 HydrophobicContact CD1-CB 4.22Å; W173-M524 HydrophobicContact CE3-CG 4.36Å; W173-M524 HydrophobicContact CH2-CB 4.48Å; W173-M524 HydrophobicContact CZ3-CB 4.05Å; W173-M524 HydrophobicContact CZ3-CG 3.81Å; W173-M524 HydrophobicContact CZ3-SD 4.23Å; T208-M524 HydrophobicContact CG2-CE 3.54Å; T208-M524 HydrophobicContact CG2-SD 4.2Å; W520-M524 HydrophobicContact CD2-CE 4.12Å; W520-M524 HydrophobicContact CD2-CG 4.06Å; W520-M524 HydrophobicContact CD2-SD 4.45Å; W520-M524 HydrophobicContact CE3-CG 3.94Å; W520-M524 HydrophobicContact CG-CE 4.28Å; W520-M524 HydrophobicContact CH2-CG 3.82Å; W520-M524 HydrophobicContact CH2-SD 4.19Å; W520-M524 HydrophobicContact CZ2-CE 4.21Å; W520-M524 HydrophobicContact CZ2-CG 3.91Å; W520-M524 HydrophobicContact CZ2-SD 3.72Å; W520-M524 HydrophobicContact CZ3-CG 3.82Å; W520-M524 WeakPolarHBondContact O-CE 3.36Å; W520-M524 WeakPolarHBondContact O-CG 3.39Å; W520-M524 PolarHBondContact O-N 2.91Å; Q521-M524 PolarHBondContact O-N 3.39Å; Q522-M524 PolarHBondContact O-N 3.04Å; M524-L529 PolarHBondContact O-N 2.98Å; M524-L529 VanDerWaalsContact O-N 3.09Å; M524-L529 HydrophobicContact SD-CD2 3.71Å; M524-L529 HydrophobicContact SD-CG 4.49Å; M524-Y530 WeakPolarHBondContact O-CB 3.45Å; M524-Y530 PolarHBondContact O-N 3.49Å
525I97.1Very high95.4Very high39 Ų3931 Ų3120%0.217%0.173CC..Hα-helixtrans-70.3-55.2178.1-66169.6000110.6P61 I62 Q521 Q522 E523 T527 G528 Y530P61-I525 HydrophobicContact CB-CD1 3.7Å; I62-I525 HydrophobicContact CG1-CD1 3.94Å; I62-I525 HydrophobicContact CG1-CG1 4.08Å; Q521-I525 WeakPolarHBondContact O-CG1 3.33Å; Q521-I525 PolarHBondContact O-N 2.98Å; Q522-I525 PolarHBondContact O-N 3.32Å; E523-I525 PolarHBondContact O-N 3.31Å; I525-T527 PolarHBondContact O-N 3.24Å; I525-G528 PolarHBondContact O-N 3.35Å; I525-Y530 HydrophobicContact CG1-CG 4.17Å
526D94.8Very high94.7Very high108 Ų10836.2 Ų36.258%0.57821%0.206SC*.Hα-helixtrans-62.9-31.2-172.8-68.9-9.3000112.6Q522 E523 G528Q522-D526 WeakPolarHBondContact CG-OD2 3.44Å; Q522-D526 PolarHBondContact NE2-OD1 2.82Å; Q522-D526 PolarHBondContact NE2-OD2 3.36Å; Q522-D526 WeakPolarHBondContact O-CB 3.04Å; Q522-D526 VanDerWaalsContact O-CG 3.27Å; Q522-D526 PolarHBondContact O-N 3.37Å; E523-D526 PolarHBondContact O-N 3.48Å; D526-G528 VanDerWaalsContact C-N 3.31Å
527T93.3Very high94Very high27 Ų2742 Ų4217%0.16624%0.237CC..THydrogen-bonded Turntrans-88.54.4178.765.80000114R31 Q210 E523 I525 L529R31-T527 PolarHBondContact NH1-O 3.45Å; R31-T527 PolarHBondContact NH2-O 3.12Å; Q210-T527 HydrophobicContact CB-CG2 4.11Å; E523-T527 HydrophobicContact CG-CG2 4.2Å; E523-T527 WeakPolarHBondContact O-CB 3.41Å; E523-T527 VanDerWaalsContact O-CG2 3.32Å; E523-T527 WeakPolarHBondContact O-CG2 3.48Å; E523-T527 PolarHBondContact O-N 3.5Å; E523-T527 PolarHBondContact O-OG1 3.15Å; I525-T527 PolarHBondContact O-N 3.24Å; T527-L529 PolarHBondContact O-N 3.3Å; T527-L529 VanDerWaalsContact O-N 3.15Å
528G93.1Very high93.3Very high22 Ų2243.2 Ų43.223%0.22724%0.236CC..THydrogen-bonded Turntrans70.21.2-179.100000114.8I525 D526 Y530 D531 E532I525-G528 PolarHBondContact O-N 3.35Å; D526-G528 VanDerWaalsContact C-N 3.31Å; G528-Y530 PolarHBondContact O-N 2.87Å; G528-D531 PolarHBondContact O-N 3.19Å; G528-E532 WeakPolarHBondContact O-CG 3.38Å; G528-E532 PolarHBondContact O-N 3.4Å
529L94.1Very high91.9Very high0 Ų051.3 Ų51.30%027%0.271CS..Hα-helixtrans-65-32.7179.5-175.562.4000111.3R31 L34 T208 M524 T527 L533R31-L529 HydrophobicContact CG-CD1 3.99Å; L34-L529 HydrophobicContact CD1-CD1 4.22Å; T208-L529 HydrophobicContact CG2-CD2 3.83Å; M524-L529 PolarHBondContact O-N 2.98Å; M524-L529 VanDerWaalsContact O-N 3.09Å; M524-L529 HydrophobicContact SD-CD2 3.71Å; M524-L529 HydrophobicContact SD-CG 4.49Å; T527-L529 PolarHBondContact O-N 3.3Å; T527-L529 VanDerWaalsContact O-N 3.15Å; L529-L533 HydrophobicContact CD1-CD1 3.84Å; L529-L533 HydrophobicContact CD1-CD2 4.21Å; L529-L533 HydrophobicContact CD1-CG 3.72Å; L529-L533 HydrophobicContact CD2-CD1 4.47Å; L529-L533 HydrophobicContact CG-CD1 3.98Å; L529-L533 HydrophobicContact CG-CG 4.13Å; L529-L533 WeakPolarHBondContact O-CB 3.43Å; L529-L533 WeakPolarHBondContact O-CG 3.43Å; L529-L533 PolarHBondContact O-N 3.04Å
530Y95.9Very high90.2Very high10 Ų1056.7 Ų56.74%0.03929%0.294CS..Hα-helixtrans-57.1-53.2174174.2-92.7000111.7I62 K65 L66 W173 M524 I525 G528 S534I62-Y530 HydrophobicContact CB-CE2 4.47Å; I62-Y530 HydrophobicContact CD1-CD2 3.84Å; I62-Y530 HydrophobicContact CD1-CE2 4.38Å; I62-Y530 HydrophobicContact CG1-CD2 3.84Å; I62-Y530 HydrophobicContact CG1-CE2 4.13Å; I62-Y530 HydrophobicContact CG2-CD2 4.25Å; I62-Y530 HydrophobicContact CG2-CE2 3.73Å; K65-Y530 HydrophobicContact CD-CD1 4.16Å; K65-Y530 HydrophobicContact CD-CE1 3.65Å; L66-Y530 VanDerWaalsContact CD2-OH 3.27Å; L66-Y530 WeakPolarHBondContact CD2-OH 3.13Å; W173-Y530 AromaticContact CD1-CE2 3.89Å; W173-Y530 HydrophobicContact CD2-CD2 4.2Å; W173-Y530 AromaticContact CE2-CD2 3.48Å; W173-Y530 VanDerWaalsContact CE2-CD2 3.48Å; W173-Y530 AromaticContact CE2-CE2 3.84Å; W173-Y530 HydrophobicContact CH2-CD2 4.35Å; W173-Y530 AromaticContact CZ2-CD2 3.6Å; W173-Y530 HydrophobicContact CZ2-CD2 3.6Å; W173-Y530 HydrophobicContact CZ2-CE2 4.31Å; W173-Y530 HydrophobicContact CZ2-CG 4.2Å; W173-Y530 AromaticContact NE1-CD2 3.49Å; W173-Y530 AromaticContact NE1-CE2 3.32Å; W173-Y530 VanDerWaalsContact NE1-CE2 3.32Å; M524-Y530 WeakPolarHBondContact O-CB 3.45Å; M524-Y530 PolarHBondContact O-N 3.49Å; I525-Y530 HydrophobicContact CG1-CG 4.17Å; G528-Y530 PolarHBondContact O-N 2.87Å; Y530-S534 WeakPolarHBondContact O-CB 3.33Å; Y530-S534 PolarHBondContact O-N 2.89Å; Y530-S534 PolarHBondContact O-OG 3.03Å
531D93.7Very high88Confident91 Ų9158.7 Ų58.749%0.48732%0.316SS..Hα-helixtrans-66.4-41.9-177.5-64.6-40.3000110.6G528 S534 D535G528-D531 PolarHBondContact O-N 3.19Å; D531-S534 PolarHBondContact O-N 2.82Å; D531-D535 PolarHBondContact O-N 3.3Å
532E92.3Very high85.2Confident59 Ų5962.3 Ų62.328%0.27635%0.354SS..Hα-helixtrans-58.3-53.4176-74.7-177.8-144.600112.1R31 G528 S534 D535 R538R31-E532 WeakPolarHBondContact CD-OE2 3.24Å; R31-E532 IonicContact CZ-OE1 3.54Å; R31-E532 IonicContact NH1-OE1 3.57Å; R31-E532 PolarHBondContact NH1-OE1 3.2Å; R31-E532 IonicContact NH1-OE2 3.54Å; G528-E532 WeakPolarHBondContact O-CG 3.38Å; G528-E532 PolarHBondContact O-N 3.4Å; E532-S534 VanDerWaalsContact C-N 3.27Å; E532-S534 PolarHBondContact O-N 2.94Å; E532-D535 PolarHBondContact O-N 3.47Å; E532-R538 WeakPolarHBondContact O-CD 3.34Å
533L92.9Very high82.4Confident11 Ų1162.2 Ų62.26%0.05837%0.373CS..Hα-helixtrans-77.5-15-177.1-59.9-171.2000113.2L34 L36 K169 W173 Y176 L529L34-L533 HydrophobicContact CB-CD1 4.43Å; L34-L533 HydrophobicContact CB-CD2 4.09Å; L36-L533 HydrophobicContact CD1-CB 4.27Å; L36-L533 WeakPolarHBondContact CD1-O 3.44Å; L36-L533 HydrophobicContact CG-CB 4.12Å; K169-L533 PolarHBondContact NZ-O 3.33Å; W173-L533 HydrophobicContact CH2-CB 3.94Å; W173-L533 HydrophobicContact CH2-CD1 3.99Å; W173-L533 HydrophobicContact CH2-CG 4.35Å; W173-L533 HydrophobicContact CZ2-CB 3.9Å; Y176-L533 HydrophobicContact CE1-CD1 4.49Å; L529-L533 HydrophobicContact CD1-CD1 3.84Å; L529-L533 HydrophobicContact CD1-CD2 4.21Å; L529-L533 HydrophobicContact CD1-CG 3.72Å; L529-L533 HydrophobicContact CD2-CD1 4.47Å; L529-L533 HydrophobicContact CG-CD1 3.98Å; L529-L533 HydrophobicContact CG-CG 4.13Å; L529-L533 WeakPolarHBondContact O-CB 3.43Å; L529-L533 WeakPolarHBondContact O-CG 3.43Å; L529-L533 PolarHBondContact O-N 3.04Å
534S91.3Very high79.2Confident26 Ų2665.1 Ų65.118%0.18240%0.404CS..Hα-helixtrans-89.9-14.2176.2-58.60000113.9K169 W173 Y530 D531 E532 P536K169-S534 WeakPolarHBondContact CE-OG 3.35Å; W173-S534 PolarHBondContact NE1-OG 3.4Å; W173-S534 VanDerWaalsContact NE1-OG 3.15Å; Y530-S534 WeakPolarHBondContact O-CB 3.33Å; Y530-S534 PolarHBondContact O-N 2.89Å; Y530-S534 PolarHBondContact O-OG 3.03Å; D531-S534 PolarHBondContact O-N 2.82Å; E532-S534 VanDerWaalsContact C-N 3.27Å; E532-S534 PolarHBondContact O-N 2.94Å; S534-P536 WeakPolarHBondContact O-CD 3.49Å
535D88.9Confident76.3Confident72 Ų7273.5 Ų73.539%0.38545%0.448SS..  trans-65.5115.8177.6-179.26.2000111.8D531 E532 N537 R538D531-D535 PolarHBondContact O-N 3.3Å; E532-D535 PolarHBondContact O-N 3.47Å; D535-N537 PolarHBondContact O-N 2.98Å; D535-N537 WeakPolarHBondContact OD1-CB 2.9Å; D535-N537 PolarHBondContact OD1-N 3.04Å; D535-N537 PolarHBondContact OD1-ND2 3.1Å; D535-R538 HydrophobicContact CB-CB 4.27Å; D535-R538 VanDerWaalsContact O-CB 3.28Å; D535-R538 WeakPolarHBondContact O-CB 3.23Å; D535-R538 PolarHBondContact O-N 3.39Å
536P81.6Confident73.3Confident123 Ų12379.1 Ų79.180%0.79948%0.478SS*.THydrogen-bonded Turntrans-66.3-18.417828.5-35.7000113.4S534 R538S534-P536 WeakPolarHBondContact O-CD 3.49Å; P536-R538 VanDerWaalsContact C-N 3.34Å
537N84.2Confident70.3Confident132 Ų13281.3 Ų81.371%0.70649%0.49SS*.THydrogen-bonded Turntrans-89.9-1.4178.8-56.3-66.3000113D535 K539D535-N537 PolarHBondContact O-N 2.98Å; D535-N537 WeakPolarHBondContact OD1-CB 2.9Å; D535-N537 PolarHBondContact OD1-N 3.04Å; D535-N537 PolarHBondContact OD1-ND2 3.1Å; N537-K539 PolarHBondContact O-N 3.25Å
538R81.1Confident67.4Low59 Ų5986.5 Ų86.522%0.22352%0.517CS..  trans-63.6112.3-179.8-178.8161.7175.8-89.24.3110R31 L34 E532 D535 P536 E540R31-R538 PolarHBondContact O-NH2 3.14Å; L34-R538 VanDerWaalsContact O-CZ 3.24Å; L34-R538 PolarHBondContact O-NH1 3.04Å; L34-R538 PolarHBondContact O-NH2 3.13Å; E532-R538 WeakPolarHBondContact O-CD 3.34Å; D535-R538 HydrophobicContact CB-CB 4.27Å; D535-R538 VanDerWaalsContact O-CB 3.28Å; D535-R538 WeakPolarHBondContact O-CB 3.23Å; D535-R538 PolarHBondContact O-N 3.39Å; P536-R538 VanDerWaalsContact C-N 3.34Å; R538-E540 PolarHBondContact O-N 3.21Å; R538-E540 VanDerWaalsContact O-N 3.1Å
539K68.3Low64.4Low198 Ų19895.7 Ų95.786%0.86155%0.55SS**  trans-69.4106.6168.5-66.2-175.5-179.6-1790107.8N537 G541N537-K539 PolarHBondContact O-N 3.25Å; K539-G541 PolarHBondContact O-N 2.84Å
540E63.5Low61.6Low130 Ų130105.2 Ų105.261%0.60759%0.592SS**  trans-52.3131.3166.5-64.7-172.216000107.8S35 R538 G542S35-E540 VanDerWaalsContact CB-OE1 3.25Å; S35-E540 WeakPolarHBondContact CB-OE1 3.12Å; R538-E540 PolarHBondContact O-N 3.21Å; R538-E540 VanDerWaalsContact O-N 3.1Å; E540-G542 PolarHBondContact O-N 3.14Å
541G51.7Low58.7Low45 Ų45110.1 Ų110.146%0.46463%0.628SS.*  trans-61.7107.4175.300000108K539 G543K539-G541 PolarHBondContact O-N 2.84Å; G541-G543 VanDerWaalsContact C-N 3.3Å; G541-G543 PolarHBondContact O-N 3.14Å
542G39.1Very low55.7Low78 Ų78108.8 Ų108.880%0.80464%0.635SS**  trans-59.995.8169.400000108.6E540 G544E540-G542 PolarHBondContact O-N 3.14Å; G542-G544 PolarHBondContact O-N 3.03Å
543G38.8Very low52.8Low74 Ų74112.4 Ų112.476%0.76366%0.661SS**  trans-65.483.9158.300000107.1G541 L545G541-G543 VanDerWaalsContact C-N 3.3Å; G541-G543 PolarHBondContact O-N 3.14Å; G543-L545 PolarHBondContact O-N 2.64Å
544G30.6Very low50.1Low64 Ų64117.6 Ų117.666%0.6670%0.697SS**  trans-53.4134.316800000109.2G542 D546G542-G544 PolarHBondContact O-N 3.03Å; G544-D546 PolarHBondContact O-N 3.47Å
545L36.5Very low47.2Very low175 Ų175120.2 Ų120.292%0.91672%0.721SS**THydrogen-bonded Turntrans-6615.6-171.5-86.4154.7000116.1G543G543-L545 PolarHBondContact O-N 2.64Å
546D34.3Very low44.6Very low157 Ų157121 Ų12184%0.8472%0.724SS**THydrogen-bonded Turntrans-124.8-1.9-169-90.1-28.5000117.7G544G544-D546 PolarHBondContact O-N 3.47Å
547D31.8Very low42.2Very low154 Ų154124.1 Ų124.182%0.82473%0.733SS**SBendtrans-12216-176.1-104.6-11.6000116.6
548D31.6Very low40.1Very low137 Ų137123.8 Ų123.873%0.73374%0.735SS**  trans-162.2104.1155.5-97.3-38.5000111.1K550 S551D548-K550 PolarHBondContact O-N 2.8Å; D548-S551 PolarHBondContact O-N 2.82Å
549K29.8Very low38Very low215 Ų215127.2 Ų127.294%0.93576%0.762SS**THydrogen-bonded Turntrans-61.676.1154.8-80.8-178.6176.61730108.8
550K35.3Very low36.3Very low199 Ų199123.2 Ų123.287%0.86576%0.756SS**THydrogen-bonded Turntrans-177.916.6161.1-102.2169.6-166.8-1750113.4D548 G552D548-K550 PolarHBondContact O-N 2.8Å; K550-G552 PolarHBondContact O-N 3.05Å; K550-G552 VanDerWaalsContact O-N 3.16Å
551S35Very low34.7Very low114 Ų114122.8 Ų122.880%0.79777%0.765SS**  trans-84.484.8170.8177.30000110.7D548D548-S551 PolarHBondContact O-N 2.82Å
552G30.7Very low33.6Very low62 Ų62127.7 Ų127.764%0.63978%0.784SS**  trans-72.2136.2167.200000110.6K550K550-G552 PolarHBondContact O-N 3.05Å; K550-G552 VanDerWaalsContact O-N 3.16Å
553T31Very low33.2Very low135 Ų135131 Ų13183%0.82878%0.783SS**  trans-17.1130.7155.5-35.50000113A555T553-A555 PolarHBondContact O-N 3.49Å
554C37.9Very low32.8Very low120 Ų120135.1 Ų135.181%0.81178%0.784SS**  trans-60.579.6172.9-167.10000110.5
555A28.8Very low33Very low82 Ų82140.5 Ų140.568%0.67879%0.793SS**  trans-111.8100.7164.900000105.6T553 L557T553-A555 PolarHBondContact O-N 3.49Å; A555-L557 PolarHBondContact O-N 3.4Å
556L35.3Very low32.7Very low87 Ų87137.7 Ų137.746%0.45578%0.783SS.*  trans-63.6116.5170.1-75.2147.4000108Q179 P180Q179-L556 HydrophobicContact CB-CD1 3.91Å; Q179-L556 HydrophobicContact CG-CD1 3.73Å; P180-L556 HydrophobicContact CB-CB 4.42Å; P180-L556 HydrophobicContact CG-CB 3.98Å
557L31.1Very low32.6Very low190 Ų190135.9 Ų135.9100%0.99578%0.778SS**  trans-990161-85.3175.1000109.7K184 A555K184-L557 PolarHBondContact NZ-O 3.22Å; A555-L557 PolarHBondContact O-N 3.4Å

Retrieved 557 of 557 residues in 1687.6 ms (Link to these results)

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