A0A087Y7K2_POEFO Loading...

Si:dkey-122a22.2

AlphaFold DB , UniProt , Accession A0A087Y7K2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 323 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1Y66.3Low83.1Confident194 Ų19491.4 Ų91.476%0.76145%0.448SS*.  0-640-167.6-103.5000112.7S3 L4 Q5Y1-S3 VanDerWaalsContact C-N 3.33Å; Y1-S3 PolarHBondContact O-N 2.83Å; Y1-L4 WeakPolarHBondContact O-CB 3.06Å; Y1-L4 PolarHBondContact O-N 3.07Å; Y1-Q5 HydrophobicContact CE1-CG 4.23Å; Y1-Q5 PolarHBondContact O-N 2.91Å; Y1-Q5 VanDerWaalsContact O-N 3.16Å; Y1-Q5 PolarHBondContact OH-NE2 3.33Å
2A74.5Confident83.7Confident73 Ų7388.7 Ų88.760%0.60344%0.436SS*.Hα-helixtrans-56.7-39.3-179.200000114.4L4 Q5 R6A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.18Å; A2-Q5 PolarHBondContact O-N 3Å; A2-R6 PolarHBondContact O-N 2.76Å; A2-R6 VanDerWaalsContact O-N 3.13Å
3S78.2Confident84.1Confident69 Ų6983.4 Ų83.448%0.48341%0.412SS..Hα-helixtrans-59.1-41.6173.7-163.90000112.6Y1 R6 E7Y1-S3 VanDerWaalsContact C-N 3.33Å; Y1-S3 PolarHBondContact O-N 2.83Å; S3-R6 PolarHBondContact O-N 3.03Å; S3-E7 WeakPolarHBondContact O-CB 2.99Å; S3-E7 VanDerWaalsContact O-CG 3.29Å; S3-E7 WeakPolarHBondContact O-CG 3.07Å; S3-E7 PolarHBondContact O-N 3.31Å; S3-E7 PolarHBondContact OG-OE1 3.45Å; S3-E7 VanDerWaalsContact OG-OE1 3.08Å
4L82.7Confident84.3Confident27 Ų2790.5 Ų90.514%0.14144%0.44CS..Hα-helixtrans-67-38.7179.2-70.4172.1000111.4Y1 A2 R6 E7 G8 Y210Y1-L4 WeakPolarHBondContact O-CB 3.06Å; Y1-L4 PolarHBondContact O-N 3.07Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.18Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 3.15Å; L4-E7 PolarHBondContact O-N 3.15Å; L4-G8 PolarHBondContact O-N 3.49Å; L4-Y210 HydrophobicContact CB-CE2 4.24Å; L4-Y210 HydrophobicContact CD2-CD2 4.04Å; L4-Y210 HydrophobicContact CD2-CE2 4.04Å; L4-Y210 VanDerWaalsContact O-CE2 3.28Å; L4-Y210 WeakPolarHBondContact O-CE2 3.23Å
5Q81.6Confident84.6Confident105 Ų10592.6 Ų92.649%0.49145%0.454SS..Hα-helixtrans-62.7-42.2176-70.1-172.4-32.900111.8Y1 A2 G8 Q9Y1-Q5 HydrophobicContact CE1-CG 4.23Å; Y1-Q5 PolarHBondContact O-N 2.91Å; Y1-Q5 VanDerWaalsContact O-N 3.16Å; Y1-Q5 PolarHBondContact OH-NE2 3.33Å; A2-Q5 PolarHBondContact O-N 3Å; Q5-G8 PolarHBondContact O-N 3.46Å; Q5-Q9 PolarHBondContact O-N 2.86Å
6R85.2Confident85Confident181 Ų18187.8 Ų87.868%0.68344%0.435SS*.Hα-helixtrans-65.7-45.9176.9-158.8-174.7-149.71697.1111.6A2 S3 L4 G8 Q9 M10A2-R6 PolarHBondContact O-N 2.76Å; A2-R6 VanDerWaalsContact O-N 3.13Å; S3-R6 PolarHBondContact O-N 3.03Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-R6 PolarHBondContact O-N 3.15Å; R6-G8 VanDerWaalsContact C-N 3.31Å; R6-G8 PolarHBondContact O-N 3.33Å; R6-Q9 PolarHBondContact O-N 2.99Å; R6-M10 HydrophobicContact CB-CE 4.45Å; R6-M10 HydrophobicContact CG-CE 4.01Å; R6-M10 PolarHBondContact O-N 3.5Å
7E88.4Confident85.6Confident35 Ų3588.6 Ų88.616%0.16444%0.438CS..Hα-helixtrans-58.4-43.7175.7-76.1168.5-155.300111.3S3 L4 Q9 M10 L11 R183 Y210S3-E7 WeakPolarHBondContact O-CB 2.99Å; S3-E7 VanDerWaalsContact O-CG 3.29Å; S3-E7 WeakPolarHBondContact O-CG 3.07Å; S3-E7 PolarHBondContact O-N 3.31Å; S3-E7 PolarHBondContact OG-OE1 3.45Å; S3-E7 VanDerWaalsContact OG-OE1 3.08Å; L4-E7 PolarHBondContact O-N 3.15Å; E7-Q9 VanDerWaalsContact C-N 3.29Å; E7-Q9 PolarHBondContact O-N 2.96Å; E7-M10 HydrophobicContact CG-CE 4.29Å; E7-M10 PolarHBondContact O-N 3.43Å; E7-M10 VanDerWaalsContact O-N 3.1Å; E7-L11 HydrophobicContact CB-CD1 4.39Å; E7-L11 VanDerWaalsContact O-CB 3.25Å; E7-L11 WeakPolarHBondContact O-CB 3.4Å; E7-L11 VanDerWaalsContact O-CG 3.27Å; E7-L11 WeakPolarHBondContact O-CG 3.3Å; E7-L11 PolarHBondContact O-N 2.81Å; E7-R183 VanDerWaalsContact CD-NH1 3.31Å; E7-R183 IonicContact OE1-CZ 3.38Å; E7-R183 VanDerWaalsContact OE1-CZ 3.31Å; E7-R183 IonicContact OE1-NH1 2.71Å; E7-R183 PolarHBondContact OE1-NH1 3.45Å; E7-R183 IonicContact OE1-NH2 3.48Å; E7-R183 PolarHBondContact OE1-NH2 3.01Å; E7-R183 IonicContact OE2-CZ 3.79Å; E7-R183 IonicContact OE2-NH1 2.7Å; E7-R183 PolarHBondContact OE2-NH1 3.4Å; E7-R183 IonicContact OE2-NH2 2.67Å; E7-Y210 HydrophobicContact CB-CD2 4.1Å; E7-Y210 HydrophobicContact CB-CE2 4.28Å
8G87.1Confident86.1Confident9 Ų987.7 Ų87.79%0.09343%0.433CS..Hα-helixtrans-57.8-38.1177.200000113.6L4 Q5 R6 L12 F75L4-G8 PolarHBondContact O-N 3.49Å; Q5-G8 PolarHBondContact O-N 3.46Å; R6-G8 VanDerWaalsContact C-N 3.31Å; R6-G8 PolarHBondContact O-N 3.33Å; G8-L12 PolarHBondContact O-N 3.44Å; G8-L12 VanDerWaalsContact O-N 3.13Å; G8-F75 WeakPolarHBondContact O-CE1 3.28Å
9Q87.3Confident86.6Confident157 Ų15783.8 Ų83.873%0.73442%0.415SS*.Hα-helixtrans-69.9-38.6175.4-69.4178.6-4.500112.5Q5 R6 E7 L11Q5-Q9 PolarHBondContact O-N 2.86Å; R6-Q9 PolarHBondContact O-N 2.99Å; E7-Q9 VanDerWaalsContact C-N 3.29Å; E7-Q9 PolarHBondContact O-N 2.96Å; Q9-L11 VanDerWaalsContact C-N 3.34Å
10M90.1Very high86.9Confident131 Ų13183.8 Ų83.865%0.64542%0.416SS*.Hα-helixtrans-72.3-30.7178.9-67.6-176.1-71.300112.4R6 E7R6-M10 HydrophobicContact CB-CE 4.45Å; R6-M10 HydrophobicContact CG-CE 4.01Å; R6-M10 PolarHBondContact O-N 3.5Å; E7-M10 HydrophobicContact CG-CE 4.29Å; E7-M10 PolarHBondContact O-N 3.43Å; E7-M10 VanDerWaalsContact O-N 3.1Å
11L92.8Very high87.1Confident24 Ų2480.2 Ų80.213%0.12640%0.399CS..Hα-helixtrans-92.6-4.8-177.2-69.7175.4000113.4E7 Q9 F75 Q206 R207 Y210E7-L11 HydrophobicContact CB-CD1 4.39Å; E7-L11 VanDerWaalsContact O-CB 3.25Å; E7-L11 WeakPolarHBondContact O-CB 3.4Å; E7-L11 VanDerWaalsContact O-CG 3.27Å; E7-L11 WeakPolarHBondContact O-CG 3.3Å; E7-L11 PolarHBondContact O-N 2.81Å; Q9-L11 VanDerWaalsContact C-N 3.34Å; L11-F75 HydrophobicContact CB-CE1 4.06Å; L11-F75 HydrophobicContact CB-CZ 4.08Å; L11-F75 WeakPolarHBondContact O-CZ 3.29Å; L11-Q206 HydrophobicContact CD2-CB 3.75Å; L11-R207 HydrophobicContact CB-CG 4.06Å; L11-R207 HydrophobicContact CD2-CG 4.3Å; L11-R207 WeakPolarHBondContact O-CD 3.46Å; L11-Y210 VanDerWaalsContact CD1-CB 3.47Å; L11-Y210 HydrophobicContact CD1-CD1 4.35Å; L11-Y210 HydrophobicContact CD1-CD2 4.24Å; L11-Y210 HydrophobicContact CD1-CG 3.78Å
12L90.9Very high87.9Confident59 Ų5972.2 Ų72.231%0.30938%0.375SS..SBendtrans-60.3129.9174-171.472.4000109.1G8 K14 M18 F75G8-L12 PolarHBondContact O-N 3.44Å; G8-L12 VanDerWaalsContact O-N 3.13Å; L12-K14 PolarHBondContact O-N 3.47Å; L12-M18 HydrophobicContact CD1-SD 4.3Å; L12-F75 HydrophobicContact CB-CD1 4.36Å; L12-F75 HydrophobicContact CD1-CB 3.55Å; L12-F75 HydrophobicContact CD1-CD1 3.69Å; L12-F75 HydrophobicContact CD1-CD2 4.44Å; L12-F75 HydrophobicContact CD1-CG 3.63Å
13P88.9Confident87.9Confident20 Ų2071.8 Ų71.813%0.1336%0.363CS..  trans-56.4130.4178.1-28.639.5000111.3D15 G16 L30P13-D15 PolarHBondContact O-N 2.95Å; P13-G16 WeakPolarHBondContact O-CA 3.42Å; P13-G16 PolarHBondContact O-N 3.05Å; P13-L30 HydrophobicContact CB-CD2 4.45Å
14K86.3Confident87.9Confident183 Ų18371.6 Ų71.680%0.79637%0.371SS*.THydrogen-bonded Turntrans-59.1-34.6-176.7-66.9178-177.1163.50113.2L12 G16L12-K14 PolarHBondContact O-N 3.47Å; K14-G16 VanDerWaalsContact C-N 3.33Å
15D88.3Confident87.9Confident122 Ų12270.6 Ų70.665%0.65237%0.366SS*.THydrogen-bonded Turntrans-90.7-0.6177.9-55.8-37.4000112.6P13 L30P13-D15 PolarHBondContact O-N 2.95Å; D15-L30 VanDerWaalsContact C-CD1 3.42Å; D15-L30 HydrophobicContact CB-CD1 3.67Å; D15-L30 WeakPolarHBondContact O-CD1 3.5Å
16G91.9Very high88.3Confident15 Ų1570.5 Ų70.516%0.15536%0.364CS..EExtended strand (participates in β ladder)trans-84.4149.8176.900000111.2P13 K14P13-G16 WeakPolarHBondContact O-CA 3.42Å; P13-G16 PolarHBondContact O-N 3.05Å; K14-G16 VanDerWaalsContact C-N 3.33Å
17Q94.1Very high88.8Confident103 Ų10361.9 Ų61.948%0.48133%0.332SS..EExtended strand (participates in β ladder)trans-129.3147.2177.660.5176.813.300111.3V19 H28 L29Q17-V19 HydrophobicContact CG-CG2 3.86Å; Q17-H28 WeakPolarHBondContact O-CA 3.37Å; Q17-L29 HydrophobicContact CG-CB 4.39Å; Q17-L29 PolarHBondContact N-O 2.75Å; Q17-L29 PolarHBondContact O-N 3.46Å
18M95Very high89.3Confident72 Ų7260.2 Ų60.236%0.35532%0.324SS..EExtended strand (participates in β ladder)trans-92105.5170.6-63.5-56.5-60.100108.8L12 K26 L27 H28 F75L12-M18 HydrophobicContact CD1-SD 4.3Å; M18-K26 HydrophobicContact CB-CB 4.5Å; M18-K26 HydrophobicContact CE-CB 3.93Å; M18-L27 WeakPolarHBondContact CA-O 3.4Å; M18-H28 HydrophobicContact CE-CB 4.44Å; M18-H28 HydrophobicContact SD-CB 3.72Å; M18-F75 WeakPolarHBondContact CE-O 3.45Å
19V95.6Very high89.8Confident13 Ų1359.9 Ų59.98%0.07932%0.32CS..EExtended strand (participates in β ladder)trans-91.7129.4-178.7-1750000109.4Q17 V21 K26 L27 L29 L106 A109Q17-V19 HydrophobicContact CG-CG2 3.86Å; V19-V21 PolarHBondContact O-N 2.96Å; V19-K26 CarbonylContact O-C 3.56Å; V19-K26 WeakPolarHBondContact O-CA 3.42Å; V19-L27 PolarHBondContact N-O 2.8Å; V19-L27 PolarHBondContact O-N 2.99Å; V19-L29 HydrophobicContact CG2-CB 4.02Å; V19-L29 HydrophobicContact CG2-CD2 4.09Å; V19-L106 HydrophobicContact CB-CD1 3.46Å; V19-L106 VanDerWaalsContact CB-CD1 3.46Å; V19-L106 HydrophobicContact CG1-CD1 3.79Å; V19-L106 HydrophobicContact CG2-CD1 3.76Å; V19-A109 HydrophobicContact CG1-CB 3.6Å
20D92.8Very high90.3Very high84 Ų8452.8 Ų52.845%0.44929%0.287SS..EExtended strand (participates in β ladder)trans-75.1120.1172.5-162.4-38.6000109.8G22 K26D20-G22 WeakPolarHBondContact OD1-CA 3.21Å; D20-G22 PolarHBondContact OD1-N 3.48Å; D20-K26 HydrophobicContact CB-CG 4.48Å
21V90.3Very high90.7Very high8 Ų848.3 Ų48.35%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-103.711.8179.1-59.10000111.9V19 Q25 L27 R105 L106V19-V21 PolarHBondContact O-N 2.96Å; V21-Q25 HydrophobicContact CG2-CB 3.52Å; V21-Q25 PolarHBondContact N-O 3.39Å; V21-L27 HydrophobicContact CG1-CB 4.47Å; V21-L27 HydrophobicContact CG1-CD1 4.17Å; V21-L27 HydrophobicContact CG1-CG 4.2Å; V21-L27 HydrophobicContact CG2-CD1 4.46Å; V21-L27 HydrophobicContact CG2-CG 4.22Å; V21-R105 HydrophobicContact CB-CB 3.88Å; V21-R105 HydrophobicContact CG1-CB 4.36Å; V21-R105 WeakPolarHBondContact O-CD 3.24Å; V21-R105 PolarHBondContact O-NH1 3.29Å; V21-L106 HydrophobicContact CG1-CB 3.88Å; V21-L106 HydrophobicContact CG1-CD1 4.17Å
22G83.5Confident90.9Very high26 Ų2649.4 Ų49.427%0.26827%0.272SS..EExtended strand (participates in β ladder)trans84.8172.9-177.500000112.9D20 G24 Q25D20-G22 WeakPolarHBondContact OD1-CA 3.21Å; D20-G22 PolarHBondContact OD1-N 3.48Å; G22-G24 PolarHBondContact O-N 2.76Å; G22-G24 VanDerWaalsContact O-N 3.17Å; G22-Q25 WeakPolarHBondContact O-CB 3.29Å; G22-Q25 PolarHBondContact O-N 3.45Å
23L75.8Confident91.2Very high65 Ų6548.2 Ų48.234%0.3427%0.274SS..THydrogen-bonded Turntrans55.333.5178-53.1175.5000113.6Q25L23-Q25 PolarHBondContact O-N 2.94Å
24G76.5Confident91.6Very high64 Ų6458.1 Ų58.166%0.6631%0.309SS*.THydrogen-bonded Turntrans74.27.2-179.400000114.7G22G22-G24 PolarHBondContact O-N 2.76Å; G22-G24 VanDerWaalsContact O-N 3.17Å
25Q84.4Confident92Very high6 Ų651.4 Ų51.43%0.02829%0.291CS..EExtended strand (participates in β ladder)trans-96.5136.7-175-68.3179.513.800112.1V21 G22 L23 M71 L79 D102V21-Q25 HydrophobicContact CG2-CB 3.52Å; V21-Q25 PolarHBondContact N-O 3.39Å; G22-Q25 WeakPolarHBondContact O-CB 3.29Å; G22-Q25 PolarHBondContact O-N 3.45Å; L23-Q25 PolarHBondContact O-N 2.94Å; Q25-M71 HydrophobicContact CB-CE 3.56Å; Q25-M71 VanDerWaalsContact CD-CE 3.49Å; Q25-M71 HydrophobicContact CG-CE 3.48Å; Q25-M71 VanDerWaalsContact CG-CE 3.48Å; Q25-L79 HydrophobicContact CG-CD1 3.36Å; Q25-L79 HydrophobicContact CG-CD2 4.34Å; Q25-L79 HydrophobicContact CG-CG 4.05Å; Q25-L79 VanDerWaalsContact NE2-CD1 3.33Å; Q25-D102 PolarHBondContact OE1-OD1 2.94Å
26K90.1Very high92.3Very high104 Ų10452.3 Ų52.345%0.45229%0.29SS..EExtended strand (participates in β ladder)trans-129.5128.5173.3-62-171.2178.4-173.70110.8M18 V19 D20M18-K26 HydrophobicContact CB-CB 4.5Å; M18-K26 HydrophobicContact CE-CB 3.93Å; V19-K26 CarbonylContact O-C 3.56Å; V19-K26 WeakPolarHBondContact O-CA 3.42Å; D20-K26 HydrophobicContact CB-CG 4.48Å
27L95.6Very high92.5Very high0 Ų052.3 Ų52.30%029%0.287CS..EExtended strand (participates in β ladder)trans-109.6140.2177.1-61.7-175.4000111.2M18 V19 V21 M71 S76 D102 L106M18-L27 WeakPolarHBondContact CA-O 3.4Å; V19-L27 PolarHBondContact N-O 2.8Å; V19-L27 PolarHBondContact O-N 2.99Å; V21-L27 HydrophobicContact CG1-CB 4.47Å; V21-L27 HydrophobicContact CG1-CD1 4.17Å; V21-L27 HydrophobicContact CG1-CG 4.2Å; V21-L27 HydrophobicContact CG2-CD1 4.46Å; V21-L27 HydrophobicContact CG2-CG 4.22Å; L27-M71 HydrophobicContact CD2-CB 4.3Å; L27-M71 HydrophobicContact CD2-CE 3.79Å; L27-M71 HydrophobicContact CD2-SD 4.42Å; L27-S76 VanDerWaalsContact CA-OG 3.32Å; L27-S76 WeakPolarHBondContact CA-OG 3.29Å; L27-D102 HydrophobicContact CD1-CB 4.09Å; L27-L106 HydrophobicContact CB-CD1 4.16Å; L27-L106 HydrophobicContact CB-CD2 4.19Å; L27-L106 HydrophobicContact CD1-CB 4.34Å; L27-L106 HydrophobicContact CD1-CD2 4.07Å
28H97.6Very high92.7Very high0 Ų047.6 Ų47.60%027%0.266CS..EExtended strand (participates in β ladder)trans-76.6127.6172.1175.1-111000110Q17 M18 Y68 D69 F75 S76Q17-H28 WeakPolarHBondContact O-CA 3.37Å; M18-H28 HydrophobicContact CE-CB 4.44Å; M18-H28 HydrophobicContact SD-CB 3.72Å; H28-Y68 VanDerWaalsContact O-CA 3.25Å; H28-Y68 WeakPolarHBondContact O-CA 3.46Å; H28-Y68 WeakPolarHBondContact O-CB 2.92Å; H28-D69 HydrophobicContact CB-CB 4.28Å; H28-D69 IonicContact CE1-OD2 2.69Å; H28-D69 IonicContact CG-OD2 2.97Å; H28-D69 IonicContact ND1-OD2 3.47Å; H28-D69 PolarHBondContact ND1-OD2 3.17Å; H28-D69 PolarHBondContact O-N 3.39Å; H28-F75 HydrophobicContact CB-CB 3.83Å; H28-S76 PolarHBondContact N-OG 3.37Å
29L98.1Very high92.9Very high2 Ų244.2 Ų44.21%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-130.8131.8176.9179.173.5000109.3Q17 V19 C66 L106 A110Q17-L29 HydrophobicContact CG-CB 4.39Å; Q17-L29 PolarHBondContact N-O 2.75Å; Q17-L29 PolarHBondContact O-N 3.46Å; V19-L29 HydrophobicContact CG2-CB 4.02Å; V19-L29 HydrophobicContact CG2-CD2 4.09Å; L29-C66 HydrophobicContact CD1-CB 4Å; L29-L106 HydrophobicContact CB-CD1 4.16Å; L29-L106 HydrophobicContact CD1-CD2 4.26Å; L29-L106 HydrophobicContact CD2-CD1 4.29Å; L29-A110 HydrophobicContact CD2-CB 3.37Å
30L97.9Very high93.1Very high8 Ų843.7 Ų43.74%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-125.4115.2174.317465.1000108.9P13 D15 Q56 C66 T67P13-L30 HydrophobicContact CB-CD2 4.45Å; D15-L30 VanDerWaalsContact C-CD1 3.42Å; D15-L30 HydrophobicContact CB-CD1 3.67Å; D15-L30 WeakPolarHBondContact O-CD1 3.5Å; L30-Q56 PolarHBondContact O-NE2 3.22Å; L30-C66 WeakPolarHBondContact O-CA 3.38Å; L30-T67 PolarHBondContact N-O 3.39Å; L30-T67 PolarHBondContact O-N 3.14Å; L30-T67 PolarHBondContact O-OG1 2.97Å
31C98.1Very high93.4Very high37 Ų3739.7 Ų39.725%0.2522%0.224CC..EExtended strand (participates in β ladder)trans-112.8131.4175.6-63.60000110.9V65 C66C31-V65 CarbonylContact C-O 3.53Å; C31-V65 WeakPolarHBondContact CA-O 3.22Å; C31-C66 HydrophobicContact CB-CB 4.15Å; C31-C66 WeakPolarHBondContact CB-SG 3.19Å; C31-C66 WeakPolarHBondContact SG-CB 3.27Å; C31-C66 CovalentContact SG-SG 2.04Å; C31-C66 PolarHBondContact SG-SG 3.29Å
32K97.8Very high93.8Very high46 Ų4639.4 Ų39.420%0.222%0.222CC..EExtended strand (participates in β ladder)trans-120.7155.4175.2-67-173.4170.1178.30110.8Q56 E57 K64 V65K32-Q56 HydrophobicContact CB-CG 4.24Å; K32-Q56 HydrophobicContact CD-CG 4.23Å; K32-Q56 HydrophobicContact CG-CG 4.42Å; K32-E57 IonicContact NZ-OE1 3.97Å; K32-E57 PolarHBondContact NZ-OE1 3.09Å; K32-K64 CarbonylContact O-C 3.51Å; K32-K64 WeakPolarHBondContact O-CA 3.3Å; K32-V65 PolarHBondContact N-O 3.05Å; K32-V65 PolarHBondContact O-N 3.03Å
33G97.3Very high94.5Very high35 Ų3538.2 Ų38.236%0.36121%0.21SC..SBendtrans73.3179.9179.800000114S60G33-S60 WeakPolarHBondContact CA-O 3.32Å
34R96.6Very high95.5Very high227 Ų22735.1 Ų35.186%0.85719%0.194SC*.  trans-143.4152.5179.7-62.9-178.1-179.11781108.7T63R34-T63 CarbonylContact O-C 3.56Å; R34-T63 WeakPolarHBondContact O-CA 3.27Å
35G94.9Very high96.5Very high42 Ų4232.3 Ų32.343%0.43316%0.164SC..  trans128.8-179.5179.500000112.8
36K94.8Very high97.1Very high141 Ų14132.6 Ų32.661%0.61317%0.168SC*.SBendtrans-132.8156177.1-67.3-175.9-178-178.20110.1T63 Q317K36-T63 PolarHBondContact N-OG1 3.07Å; K36-Q317 VanDerWaalsContact O-CG 3.31Å; K36-Q317 WeakPolarHBondContact O-CG 3.41Å; K36-Q317 PolarHBondContact O-NE2 3.25Å
37P96.7Very high97.4Very high15 Ų1529.3 Ų29.310%0.09716%0.155CC..SBendcis-66.6150.6-13.429.8-34.6000111T63 P115 M117 R316P37-T63 PolarHBondContact O-OG1 2.82Å; P37-P115 WeakPolarHBondContact CB-O 3.35Å; P37-M117 HydrophobicContact CB-CG 4.39Å; P37-M117 HydrophobicContact CG-CE 3.59Å; P37-M117 HydrophobicContact CG-CG 4.07Å; P37-M117 HydrophobicContact CG-SD 4.15Å; P37-R316 HydrophobicContact CG-CB 4.09Å; P37-R316 HydrophobicContact CG-CG 4.47Å
38A98.4Very high97.4Very high4 Ų429.7 Ų29.73%0.03316%0.158CC..  trans-68149.6172.500000109.8K64 I112 F116 M117A38-K64 CarbonylContact C-O 3.57Å; A38-K64 VanDerWaalsContact CA-O 3.29Å; A38-K64 WeakPolarHBondContact CA-O 3.4Å; A38-K64 HydrophobicContact CB-CB 4.37Å; A38-I112 HydrophobicContact CB-CG2 4.05Å; A38-F116 HydrophobicContact CB-CB 4.12Å; A38-F116 CarbonylContact O-C 3.57Å; A38-F116 WeakPolarHBondContact O-CA 3.31Å; A38-F116 VanDerWaalsContact O-CB 3.3Å; A38-F116 WeakPolarHBondContact O-CB 3.44Å; A38-M117 PolarHBondContact O-N 2.89Å
39V98.8Very high97.4Very high1 Ų129.9 Ų29.91%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-112.8122176.4177.70000108.6L41 T63 K64 V65 C66 M117 V119 V313V39-L41 HydrophobicContact CG1-CD2 3.56Å; V39-L41 HydrophobicContact CG1-CG 4.25Å; V39-T63 HydrophobicContact CG2-CG2 3.75Å; V39-K64 PolarHBondContact N-O 2.81Å; V39-V65 HydrophobicContact CB-CG1 4.2Å; V39-V65 HydrophobicContact CB-CG2 4.26Å; V39-V65 HydrophobicContact CG1-CG1 4.27Å; V39-V65 CarbonylContact O-C 3.41Å; V39-V65 WeakPolarHBondContact O-CA 3.27Å; V39-C66 PolarHBondContact O-N 3.16Å; V39-M117 HydrophobicContact CG2-CB 4.4Å; V39-M117 HydrophobicContact CG2-CE 3.44Å; V39-M117 VanDerWaalsContact CG2-CE 3.44Å; V39-V119 HydrophobicContact CG1-CG2 3.8Å; V39-V313 HydrophobicContact CG2-CG2 4Å
40I98.8Very high97.2Very high2 Ų230.1 Ų30.11%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-107121.8178.1-46.8-54.8000108.4C66 Y68 L103 L107 I112 F116 M117 L118 V119I40-C66 WeakPolarHBondContact CA-O 3.4Å; I40-C66 HydrophobicContact CD1-CB 3.78Å; I40-Y68 HydrophobicContact CG2-CD1 4.42Å; I40-Y68 HydrophobicContact CG2-CE1 4.46Å; I40-L103 HydrophobicContact CG2-CD1 4.26Å; I40-L107 HydrophobicContact CD1-CD2 3.79Å; I40-L107 HydrophobicContact CG1-CD1 4.38Å; I40-L107 HydrophobicContact CG1-CD2 4.05Å; I40-L107 HydrophobicContact CG2-CD2 4.12Å; I40-I112 HydrophobicContact CD1-CG2 3.94Å; I40-F116 HydrophobicContact CG1-CB 4.35Å; I40-F116 HydrophobicContact CG1-CD2 3.84Å; I40-F116 HydrophobicContact CG1-CE2 4.38Å; I40-F116 HydrophobicContact CG1-CG 4.1Å; I40-M117 PolarHBondContact N-O 3.33Å; I40-L118 HydrophobicContact CB-CD2 3.92Å; I40-L118 HydrophobicContact CG1-CD2 4.38Å; I40-L118 HydrophobicContact CG2-CD2 4.31Å; I40-V119 PolarHBondContact O-N 2.73Å
41L98.9Very high97.1Very high0 Ų029.9 Ų29.90%016%0.159CC..EExtended strand (participates in β ladder)trans-106117.6-175.9-56.6-176000110.1V39 W52 V55 Q56 V65 C66 T67 V119V39-L41 HydrophobicContact CG1-CD2 3.56Å; V39-L41 HydrophobicContact CG1-CG 4.25Å; L41-W52 HydrophobicContact CB-CB 4.46Å; L41-W52 HydrophobicContact CB-CD2 3.93Å; L41-W52 HydrophobicContact CB-CG 3.87Å; L41-W52 HydrophobicContact CD1-CB 3.83Å; L41-W52 HydrophobicContact CD1-CD2 4.03Å; L41-W52 HydrophobicContact CD1-CE3 4.07Å; L41-W52 HydrophobicContact CD1-CG 3.96Å; L41-W52 HydrophobicContact CG-CD2 4.43Å; L41-V55 HydrophobicContact CD1-CG1 4.22Å; L41-Q56 HydrophobicContact CD1-CB 4.3Å; L41-V65 HydrophobicContact CD1-CG1 3.64Å; L41-V65 HydrophobicContact CG-CG1 3.93Å; L41-C66 PolarHBondContact N-O 3.48Å; L41-T67 HydrophobicContact CB-CG2 3.89Å; L41-T67 HydrophobicContact CD1-CG2 3.79Å; L41-T67 HydrophobicContact CG-CG2 4.26Å; L41-V119 WeakPolarHBondContact CA-O 3.31Å; L41-V119 HydrophobicContact CD2-CB 3.62Å; L41-V119 HydrophobicContact CD2-CG1 4.04Å; L41-V119 HydrophobicContact CD2-CG2 3.9Å
42D98.7Very high97Very high2 Ų228.1 Ų28.11%0.01115%0.147CC..EExtended strand (participates in β ladder)trans-106.9122.3177.5-163.8-8.1000111W52 Y68 R70 V119 S121 G124 N127D42-W52 WeakPolarHBondContact O-CZ2 3.47Å; D42-W52 PolarHBondContact O-NE1 3.25Å; D42-Y68 HydrophobicContact CB-CE1 3.92Å; D42-Y68 PolarHBondContact OD1-OH 3.4Å; D42-Y68 PolarHBondContact OD2-OH 3.04Å; D42-R70 IonicContact OD1-CZ 2.75Å; D42-R70 IonicContact OD1-NH1 3.54Å; D42-R70 PolarHBondContact OD1-NH1 3.09Å; D42-V119 PolarHBondContact N-O 3.47Å; D42-S121 PolarHBondContact O-N 3.29Å; D42-G124 VanDerWaalsContact CG-CA 3.41Å; D42-G124 WeakPolarHBondContact OD2-CA 3.4Å; D42-N127 VanDerWaalsContact OD2-CB 3.29Å; D42-N127 WeakPolarHBondContact OD2-CB 3.36Å; D42-N127 PolarHBondContact OD2-ND2 3.41Å
43A98.4Very high96.9Very high1 Ų127 Ų271%0.00814%0.143CC..PPolyproline II helixtrans-70.3163.2-172.200000113.1M47 V51 R70 G124A43-M47 HydrophobicContact CB-CB 4.33Å; A43-V51 HydrophobicContact CB-CG2 3.91Å; A43-R70 PolarHBondContact O-NH1 3.29Å; A43-G124 PolarHBondContact O-N 3.09Å
44P97.6Very high96.8Very high1 Ų127.7 Ų27.71%0.00614%0.137CC..PPolyproline II helixtrans-62.9171.9170.6-16.328.4000113.7G46 M47 R70 S121 E122 I298P44-G46 PolarHBondContact O-N 3.42Å; P44-M47 HydrophobicContact CB-CG 4.09Å; P44-M47 HydrophobicContact CB-SD 3.63Å; P44-M47 HydrophobicContact CG-CG 4.44Å; P44-M47 HydrophobicContact CG-SD 3.56Å; P44-M47 VanDerWaalsContact CG-SD 3.56Å; P44-M47 PolarHBondContact O-N 3.17Å; P44-R70 PolarHBondContact O-NH2 3.14Å; P44-S121 WeakPolarHBondContact CA-O 3.35Å; P44-E122 HydrophobicContact CB-CB 4.25Å; P44-E122 HydrophobicContact CB-CG 4.25Å; P44-E122 WeakPolarHBondContact CB-OE1 3.34Å; P44-I298 HydrophobicContact CG-CD1 3.45Å; P44-I298 VanDerWaalsContact CG-CD1 3.45Å
45T97.3Very high96.8Very high5 Ų516.9 Ų16.93%0.03110%0.096CC..THydrogen-bonded Turntrans-53.8124.5179.5-40.40000111.7M47 L123 E224 H225 M228T45-M47 VanDerWaalsContact C-N 3.25Å; T45-M47 PolarHBondContact O-N 2.98Å; T45-L123 HydrophobicContact CG2-CB 4.36Å; T45-L123 HydrophobicContact CG2-CD2 3.99Å; T45-L123 WeakPolarHBondContact OG1-CB 3.17Å; T45-E224 HydrophobicContact CG2-CB 3.99Å; T45-H225 WeakPolarHBondContact CG2-CE1 3.28Å; T45-H225 WeakPolarHBondContact CG2-ND1 3.44Å; T45-M228 HydrophobicContact CG2-CE 3.28Å; T45-M228 WeakPolarHBondContact OG1-CE 3.46Å
46G96.4Very high96.9Very high11 Ų1115 Ų1511%0.1138%0.076CC..THydrogen-bonded Turntrans69.313.517700000115.7P44 E224P44-G46 PolarHBondContact O-N 3.42Å; G46-E224 WeakPolarHBondContact CA-OE2 3.25Å; G46-E224 PolarHBondContact N-OE2 2.85Å
47M96.8Very high96.9Very high35 Ų3512.4 Ų12.417%0.1727%0.066CC..  trans-108150.4-176.8-56.2-166.981.900112.3A43 P44 T45 V51 L194 Y299A43-M47 HydrophobicContact CB-CB 4.33Å; P44-M47 HydrophobicContact CB-CG 4.09Å; P44-M47 HydrophobicContact CB-SD 3.63Å; P44-M47 HydrophobicContact CG-CG 4.44Å; P44-M47 HydrophobicContact CG-SD 3.56Å; P44-M47 VanDerWaalsContact CG-SD 3.56Å; P44-M47 PolarHBondContact O-N 3.17Å; T45-M47 VanDerWaalsContact C-N 3.25Å; T45-M47 PolarHBondContact O-N 2.98Å; M47-V51 HydrophobicContact CB-CG1 4.06Å; M47-V51 HydrophobicContact CE-CG1 3.26Å; M47-V51 HydrophobicContact SD-CG1 3.95Å; M47-L194 HydrophobicContact CE-CD2 3.11Å; M47-Y299 HydrophobicContact CE-CE1 3.91Å; M47-Y299 HydrophobicContact SD-CE1 4.42Å
48S96.1Very high96.9Very high9 Ų917 Ų176%0.0639%0.085CC..  trans-79.6165.816965.10000111.8D50 V51 D69 L211S48-D50 PolarHBondContact O-N 2.92Å; S48-D50 VanDerWaalsContact O-N 3.08Å; S48-V51 WeakPolarHBondContact O-CG2 3.45Å; S48-V51 PolarHBondContact O-N 3.48Å; S48-D69 WeakPolarHBondContact CA-OD1 3.27Å; S48-D69 WeakPolarHBondContact CB-OD1 3.28Å; S48-L211 WeakPolarHBondContact OG-CD1 3.3Å
49S96.5Very high96.9Very high3 Ų316.9 Ų16.92%0.0218%0.083CC..G310 helixtrans-54.2-19.1171.549.60000115.1V51 W52 D69S49-V51 PolarHBondContact O-N 2.82Å; S49-V51 VanDerWaalsContact O-N 3.14Å; S49-W52 WeakPolarHBondContact O-CB 3.37Å; S49-W52 PolarHBondContact O-N 2.93Å; S49-D69 VanDerWaalsContact CB-OD1 3.25Å; S49-D69 WeakPolarHBondContact CB-OD1 3.48Å; S49-D69 PolarHBondContact N-OD1 2.99Å; S49-D69 PolarHBondContact OG-OD1 3.07Å
50D94.6Very high96.9Very high7 Ų718 Ų184%0.0379%0.091CC..G310 helixtrans-61.1-25.8-177.5-77.3-19.6000113.8S48 W52 I53 L195 R207S48-D50 PolarHBondContact O-N 2.92Å; S48-D50 VanDerWaalsContact O-N 3.08Å; D50-W52 PolarHBondContact O-N 3.48Å; D50-W52 VanDerWaalsContact O-N 3.07Å; D50-I53 WeakPolarHBondContact O-CB 3.49Å; D50-I53 WeakPolarHBondContact O-CG2 3.33Å; D50-I53 PolarHBondContact O-N 2.73Å; D50-L195 HydrophobicContact CB-CD1 4.43Å; D50-L195 WeakPolarHBondContact O-CD1 3.32Å; D50-R207 IonicContact OD1-CZ 2.7Å; D50-R207 IonicContact OD1-NE 3.26Å; D50-R207 IonicContact OD1-NH1 3.6Å; D50-R207 PolarHBondContact OD1-NH1 3.44Å; D50-R207 IonicContact OD1-NH2 2.64Å; D50-R207 PolarHBondContact OD1-NH2 3Å; D50-R207 IonicContact OD2-CZ 3.09Å; D50-R207 IonicContact OD2-NE 3.42Å; D50-R207 IonicContact OD2-NH1 2.93Å
51V95.8Very high96.8Very high3 Ų322.1 Ų22.12%0.01812%0.121CC..G310 helixtrans-57.5-22.8175.4-60.40000113.2A43 M47 S48 S49 I298 Y299A43-V51 HydrophobicContact CB-CG2 3.91Å; M47-V51 HydrophobicContact CB-CG1 4.06Å; M47-V51 HydrophobicContact CE-CG1 3.26Å; M47-V51 HydrophobicContact SD-CG1 3.95Å; S48-V51 WeakPolarHBondContact O-CG2 3.45Å; S48-V51 PolarHBondContact O-N 3.48Å; S49-V51 PolarHBondContact O-N 2.82Å; S49-V51 VanDerWaalsContact O-N 3.14Å; V51-I298 HydrophobicContact CB-CD1 3.8Å; V51-I298 HydrophobicContact CB-CG1 4.4Å; V51-I298 HydrophobicContact CG2-CD1 3.59Å; V51-Y299 HydrophobicContact CB-CD1 4.08Å; V51-Y299 HydrophobicContact CG1-CD1 4.25Å; V51-Y299 HydrophobicContact CG1-CE1 4.48Å
52W96.9Very high96.7Very high0 Ų023.8 Ų23.80%013%0.129CC..G310 helixtrans-90.60.2-178.9-68.7116.2000114.1L41 D42 S49 D50 H54 V55 Q56 T67 V119 I145 I298 I305L41-W52 HydrophobicContact CB-CB 4.46Å; L41-W52 HydrophobicContact CB-CD2 3.93Å; L41-W52 HydrophobicContact CB-CG 3.87Å; L41-W52 HydrophobicContact CD1-CB 3.83Å; L41-W52 HydrophobicContact CD1-CD2 4.03Å; L41-W52 HydrophobicContact CD1-CE3 4.07Å; L41-W52 HydrophobicContact CD1-CG 3.96Å; L41-W52 HydrophobicContact CG-CD2 4.43Å; D42-W52 WeakPolarHBondContact O-CZ2 3.47Å; D42-W52 PolarHBondContact O-NE1 3.25Å; S49-W52 WeakPolarHBondContact O-CB 3.37Å; S49-W52 PolarHBondContact O-N 2.93Å; D50-W52 PolarHBondContact O-N 3.48Å; D50-W52 VanDerWaalsContact O-N 3.07Å; W52-H54 VanDerWaalsContact C-N 3.32Å; W52-H54 PolarHBondContact O-N 3.41Å; W52-H54 VanDerWaalsContact O-N 3.16Å; W52-V55 HydrophobicContact CE3-CB 3.94Å; W52-V55 HydrophobicContact CE3-CG1 4.15Å; W52-V55 HydrophobicContact CE3-CG2 3.98Å; W52-V55 HydrophobicContact CZ3-CB 4.48Å; W52-V55 HydrophobicContact CZ3-CG1 4.35Å; W52-V55 HydrophobicContact CZ3-CG2 4.25Å; W52-V55 PolarHBondContact O-N 3Å; W52-Q56 WeakPolarHBondContact O-CB 3.36Å; W52-Q56 PolarHBondContact O-N 3.39Å; W52-T67 HydrophobicContact CB-CG2 3.68Å; W52-T67 HydrophobicContact CG-CG2 4.25Å; W52-V119 HydrophobicContact CH2-CG1 4.03Å; W52-I145 HydrophobicContact CH2-CD1 3.69Å; W52-I145 HydrophobicContact CZ3-CD1 4.14Å; W52-I298 HydrophobicContact CE3-CB 4.24Å; W52-I298 HydrophobicContact CH2-CB 4.23Å; W52-I298 HydrophobicContact CH2-CG2 3.66Å; W52-I298 HydrophobicContact CZ2-CD1 4.34Å; W52-I298 HydrophobicContact CZ2-CG2 4.33Å; W52-I298 HydrophobicContact CZ3-CB 3.91Å; W52-I298 HydrophobicContact CZ3-CG2 3.75Å; W52-I305 HydrophobicContact CZ3-CG2 4.34Å
53I94.7Very high96.7Very high23 Ų2323.7 Ų23.712%0.11813%0.128CC..Hα-helixtrans-50.9-48.9-169.1-170.261.7000112.7D50 V55 Q56 E57 L195 V204D50-I53 WeakPolarHBondContact O-CB 3.49Å; D50-I53 WeakPolarHBondContact O-CG2 3.33Å; D50-I53 PolarHBondContact O-N 2.73Å; I53-V55 PolarHBondContact O-N 3.05Å; I53-Q56 PolarHBondContact O-N 3.01Å; I53-E57 HydrophobicContact CD1-CG 4.34Å; I53-E57 HydrophobicContact CG1-CG 4.49Å; I53-E57 WeakPolarHBondContact O-CB 3.3Å; I53-E57 VanDerWaalsContact O-CG 3.25Å; I53-E57 WeakPolarHBondContact O-CG 3.24Å; I53-E57 PolarHBondContact O-N 2.9Å; I53-L195 HydrophobicContact CG2-CD1 4.14Å; I53-V204 HydrophobicContact CG1-CG2 4.38Å
54H94.9Very high96.7Very high49 Ų4926.6 Ų26.623%0.22714%0.141CC..Hα-helixtrans-66.9-37.2-178.9-63.5-53000113.3W52 K58 N199 P302W52-H54 VanDerWaalsContact C-N 3.32Å; W52-H54 PolarHBondContact O-N 3.41Å; W52-H54 VanDerWaalsContact O-N 3.16Å; H54-K58 WeakPolarHBondContact O-CB 3.44Å; H54-K58 PolarHBondContact O-N 3.07Å; H54-N199 PolarHBondContact CE1-O 3.47Å; H54-P302 HydrophobicContact CB-CB 3.54Å; H54-P302 HydrophobicContact CB-CG 3.82Å
55V96.9Very high96.7Very high0 Ų026.5 Ų26.50%014%0.141CC..Hα-helixtrans-71.3-44.3178.91780000110.4L41 W52 I53 K58 L59 P302 I305 L309L41-V55 HydrophobicContact CD1-CG1 4.22Å; W52-V55 HydrophobicContact CE3-CB 3.94Å; W52-V55 HydrophobicContact CE3-CG1 4.15Å; W52-V55 HydrophobicContact CE3-CG2 3.98Å; W52-V55 HydrophobicContact CZ3-CB 4.48Å; W52-V55 HydrophobicContact CZ3-CG1 4.35Å; W52-V55 HydrophobicContact CZ3-CG2 4.25Å; W52-V55 PolarHBondContact O-N 3Å; I53-V55 PolarHBondContact O-N 3.05Å; V55-K58 PolarHBondContact O-N 3.45Å; V55-L59 HydrophobicContact CG1-CD1 3.72Å; V55-L59 HydrophobicContact CG1-CG 4.49Å; V55-L59 WeakPolarHBondContact O-CB 3.28Å; V55-L59 WeakPolarHBondContact O-CG 3.4Å; V55-L59 PolarHBondContact O-N 3.3Å; V55-P302 HydrophobicContact CG2-CB 4.15Å; V55-I305 HydrophobicContact CG1-CG2 4.46Å; V55-I305 HydrophobicContact CG2-CB 4.25Å; V55-I305 HydrophobicContact CG2-CG2 4.27Å; V55-L309 HydrophobicContact CG1-CD1 3.79Å
56Q97.2Very high96.8Very high2 Ų226.3 Ų26.31%0.00914%0.139CC..Hα-helixtrans-62.3-48.9177.5-175.9179.642.900111.2L30 K32 L41 W52 I53 K58 L59 S60 V65 T67L30-Q56 PolarHBondContact O-NE2 3.22Å; K32-Q56 HydrophobicContact CB-CG 4.24Å; K32-Q56 HydrophobicContact CD-CG 4.23Å; K32-Q56 HydrophobicContact CG-CG 4.42Å; L41-Q56 HydrophobicContact CD1-CB 4.3Å; W52-Q56 WeakPolarHBondContact O-CB 3.36Å; W52-Q56 PolarHBondContact O-N 3.39Å; I53-Q56 PolarHBondContact O-N 3.01Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; Q56-K58 PolarHBondContact O-N 3.17Å; Q56-L59 PolarHBondContact O-N 3.18Å; Q56-S60 WeakPolarHBondContact O-CB 3.41Å; Q56-S60 PolarHBondContact O-N 2.89Å; Q56-S60 PolarHBondContact O-OG 3.47Å; Q56-V65 HydrophobicContact CB-CG1 4.3Å; Q56-V65 HydrophobicContact CG-CB 4.17Å; Q56-V65 HydrophobicContact CG-CG1 3.96Å; Q56-V65 PolarHBondContact NE2-O 2.87Å; Q56-V65 VanDerWaalsContact NE2-O 3.13Å; Q56-T67 HydrophobicContact CB-CG2 4.23Å; Q56-T67 HydrophobicContact CG-CG2 4.32Å; Q56-T67 PolarHBondContact NE2-OG1 2.94Å
57E95.4Very high96.9Very high87 Ų8725.9 Ų25.941%0.40713%0.134SC..Hα-helixtrans-55.3-50.9177.7-74.8-53.6143.800110.9K32 I53 L59 S60K32-E57 IonicContact NZ-OE1 3.97Å; K32-E57 PolarHBondContact NZ-OE1 3.09Å; I53-E57 HydrophobicContact CD1-CG 4.34Å; I53-E57 HydrophobicContact CG1-CG 4.49Å; I53-E57 WeakPolarHBondContact O-CB 3.3Å; I53-E57 VanDerWaalsContact O-CG 3.25Å; I53-E57 WeakPolarHBondContact O-CG 3.24Å; I53-E57 PolarHBondContact O-N 2.9Å; E57-L59 PolarHBondContact O-N 3.25Å; E57-S60 PolarHBondContact O-N 2.91Å; E57-S60 PolarHBondContact O-OG 2.69Å
58K96.6Very high97Very high113 Ų11324.3 Ų24.349%0.49113%0.127SC..Hα-helixtrans-61.1-49.9-178.1-176.558176.1177.80111.8H54 V55 Q56 S61 W310H54-K58 WeakPolarHBondContact O-CB 3.44Å; H54-K58 PolarHBondContact O-N 3.07Å; V55-K58 PolarHBondContact O-N 3.45Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; Q56-K58 PolarHBondContact O-N 3.17Å; K58-S61 PolarHBondContact O-OG 3.33Å; K58-W310 HydrophobicContact CD-CE3 4.38Å; K58-W310 HydrophobicContact CD-CZ3 4.05Å; K58-W310 HydrophobicContact CG-CE3 4.24Å; K58-W310 HydrophobicContact CG-CZ3 4.31Å; K58-W310 WeakPolarHBondContact O-CZ3 3.35Å
59L97.9Very high97.1Very high0 Ų024 Ų240%012%0.124CC..Hα-helixtrans-75-23-175.1-70.5173.3000114V55 Q56 E57 S61 L62 T63 V65 L309 W310V55-L59 HydrophobicContact CG1-CD1 3.72Å; V55-L59 HydrophobicContact CG1-CG 4.49Å; V55-L59 WeakPolarHBondContact O-CB 3.28Å; V55-L59 WeakPolarHBondContact O-CG 3.4Å; V55-L59 PolarHBondContact O-N 3.3Å; Q56-L59 PolarHBondContact O-N 3.18Å; E57-L59 PolarHBondContact O-N 3.25Å; L59-S61 PolarHBondContact O-N 3.27Å; L59-S61 VanDerWaalsContact O-N 3.15Å; L59-L62 PolarHBondContact O-N 2.92Å; L59-T63 PolarHBondContact O-N 2.97Å; L59-T63 VanDerWaalsContact O-N 3.12Å; L59-V65 HydrophobicContact CB-CG2 3.56Å; L59-L309 HydrophobicContact CD1-CB 3.58Å; L59-L309 HydrophobicContact CD1-CD1 3.55Å; L59-L309 HydrophobicContact CD1-CG 4.21Å; L59-L309 HydrophobicContact CD2-CB 3.9Å; L59-L309 HydrophobicContact CG-CB 4.34Å; L59-W310 HydrophobicContact CD2-CB 4.08Å; L59-W310 HydrophobicContact CD2-CE3 4.4Å
60S97.6Very high97.1Very high25 Ų2524.1 Ų24.118%0.17512%0.124CC..Hα-helixtrans-62.7-20.217971.50000113.7G33 Q56 E57 L62 T63G33-S60 WeakPolarHBondContact CA-O 3.32Å; Q56-S60 WeakPolarHBondContact O-CB 3.41Å; Q56-S60 PolarHBondContact O-N 2.89Å; Q56-S60 PolarHBondContact O-OG 3.47Å; E57-S60 PolarHBondContact O-N 2.91Å; E57-S60 PolarHBondContact O-OG 2.69Å; S60-L62 PolarHBondContact O-N 3.49Å; S60-T63 WeakPolarHBondContact CA-O 3.4Å
61S97.2Very high97Very high89 Ų8925.5 Ų25.562%0.62213%0.131SC*.THydrogen-bonded Turntrans-71.7-14.8172.164.60000113.8K58 L59 W310K58-S61 PolarHBondContact O-OG 3.33Å; L59-S61 PolarHBondContact O-N 3.27Å; L59-S61 VanDerWaalsContact O-N 3.15Å; S61-W310 VanDerWaalsContact OG-CH2 3.3Å; S61-W310 WeakPolarHBondContact OG-CH2 3.5Å; S61-W310 VanDerWaalsContact OG-CZ3 3.28Å; S61-W310 WeakPolarHBondContact OG-CZ3 3.22Å
62L97.3Very high96.8Very high34 Ų3425.5 Ų25.518%0.17813%0.131CC..THydrogen-bonded Turntrans-114.2-37.1-174.4-177.466.1000113.5L59 S60 W310 V313 Q317L59-L62 PolarHBondContact O-N 2.92Å; S60-L62 PolarHBondContact O-N 3.49Å; L62-W310 HydrophobicContact CB-CH2 4.3Å; L62-W310 HydrophobicContact CB-CZ2 4.38Å; L62-W310 HydrophobicContact CB-CZ3 4.4Å; L62-W310 HydrophobicContact CD1-CZ2 4.33Å; L62-W310 HydrophobicContact CD2-CB 4.49Å; L62-W310 HydrophobicContact CD2-CD2 3.82Å; L62-W310 HydrophobicContact CD2-CE3 4.4Å; L62-W310 HydrophobicContact CD2-CG 3.85Å; L62-W310 HydrophobicContact CD2-CZ2 4.42Å; L62-V313 HydrophobicContact CD2-CB 3.57Å; L62-V313 HydrophobicContact CD2-CG1 3.45Å; L62-V313 VanDerWaalsContact CD2-CG1 3.45Å; L62-V313 HydrophobicContact CD2-CG2 4.36Å; L62-V313 HydrophobicContact CG-CB 4.35Å; L62-V313 HydrophobicContact CG-CG1 3.66Å; L62-Q317 PolarHBondContact O-NE2 3.4Å
63T98.3Very high96.8Very high0 Ų025.5 Ų25.50%013%0.131CC..SBendtrans-152.3177.1-179.9-166.90000111.7R34 K36 P37 V39 L59 S60 V65 V313R34-T63 CarbonylContact O-C 3.56Å; R34-T63 WeakPolarHBondContact O-CA 3.27Å; K36-T63 PolarHBondContact N-OG1 3.07Å; P37-T63 PolarHBondContact O-OG1 2.82Å; V39-T63 HydrophobicContact CG2-CG2 3.75Å; L59-T63 PolarHBondContact O-N 2.97Å; L59-T63 VanDerWaalsContact O-N 3.12Å; S60-T63 WeakPolarHBondContact CA-O 3.4Å; T63-V65 HydrophobicContact CG2-CG2 4.15Å; T63-V65 PolarHBondContact O-N 3.29Å; T63-V313 HydrophobicContact CG2-CG1 3.81Å; T63-V313 HydrophobicContact CG2-CG2 4.09Å
64K98.4Very high96.8Very high62 Ų6224.6 Ų24.627%0.2713%0.128SC..  trans-71.8124.5170.2-173174.3-177.3177.50109.8K32 A38 V39K32-K64 CarbonylContact O-C 3.51Å; K32-K64 WeakPolarHBondContact O-CA 3.3Å; A38-K64 CarbonylContact C-O 3.57Å; A38-K64 VanDerWaalsContact CA-O 3.29Å; A38-K64 WeakPolarHBondContact CA-O 3.4Å; A38-K64 HydrophobicContact CB-CB 4.37Å; V39-K64 PolarHBondContact N-O 2.81Å
65V98.6Very high96.8Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-125.6118.7-179.5-171.40000109.7C31 K32 V39 L41 Q56 L59 T63C31-V65 CarbonylContact C-O 3.53Å; C31-V65 WeakPolarHBondContact CA-O 3.22Å; K32-V65 PolarHBondContact N-O 3.05Å; K32-V65 PolarHBondContact O-N 3.03Å; V39-V65 HydrophobicContact CB-CG1 4.2Å; V39-V65 HydrophobicContact CB-CG2 4.26Å; V39-V65 HydrophobicContact CG1-CG1 4.27Å; V39-V65 CarbonylContact O-C 3.41Å; V39-V65 WeakPolarHBondContact O-CA 3.27Å; L41-V65 HydrophobicContact CD1-CG1 3.64Å; L41-V65 HydrophobicContact CG-CG1 3.93Å; Q56-V65 HydrophobicContact CB-CG1 4.3Å; Q56-V65 HydrophobicContact CG-CB 4.17Å; Q56-V65 HydrophobicContact CG-CG1 3.96Å; Q56-V65 PolarHBondContact NE2-O 2.87Å; Q56-V65 VanDerWaalsContact NE2-O 3.13Å; L59-V65 HydrophobicContact CB-CG2 3.56Å; T63-V65 HydrophobicContact CG2-CG2 4.15Å; T63-V65 PolarHBondContact O-N 3.29Å
66C98.6Very high96.6Very high0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-112.1131.5-178.6-60.90000110.8L29 L30 C31 V39 I40 L41L29-C66 HydrophobicContact CD1-CB 4Å; L30-C66 WeakPolarHBondContact O-CA 3.38Å; C31-C66 HydrophobicContact CB-CB 4.15Å; C31-C66 WeakPolarHBondContact CB-SG 3.19Å; C31-C66 WeakPolarHBondContact SG-CB 3.27Å; C31-C66 CovalentContact SG-SG 2.04Å; C31-C66 PolarHBondContact SG-SG 3.29Å; V39-C66 PolarHBondContact O-N 3.16Å; I40-C66 WeakPolarHBondContact CA-O 3.4Å; I40-C66 HydrophobicContact CD1-CB 3.78Å; L41-C66 PolarHBondContact N-O 3.48Å
67T98.5Very high96Very high2 Ų228.7 Ų28.71%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-113.5149168.5570000108.1L30 L41 W52 Q56L30-T67 PolarHBondContact N-O 3.39Å; L30-T67 PolarHBondContact O-N 3.14Å; L30-T67 PolarHBondContact O-OG1 2.97Å; L41-T67 HydrophobicContact CB-CG2 3.89Å; L41-T67 HydrophobicContact CD1-CG2 3.79Å; L41-T67 HydrophobicContact CG-CG2 4.26Å; W52-T67 HydrophobicContact CB-CG2 3.68Å; W52-T67 HydrophobicContact CG-CG2 4.25Å; Q56-T67 HydrophobicContact CB-CG2 4.23Å; Q56-T67 HydrophobicContact CG-CG2 4.32Å; Q56-T67 PolarHBondContact NE2-OG1 2.94Å
68Y98.4Very high95.2Very high3 Ų327.9 Ų27.91%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-142.5155179.276-72.8000110.8H28 I40 D42 R70 L103 L106H28-Y68 VanDerWaalsContact O-CA 3.25Å; H28-Y68 WeakPolarHBondContact O-CA 3.46Å; H28-Y68 WeakPolarHBondContact O-CB 2.92Å; I40-Y68 HydrophobicContact CG2-CD1 4.42Å; I40-Y68 HydrophobicContact CG2-CE1 4.46Å; D42-Y68 HydrophobicContact CB-CE1 3.92Å; D42-Y68 PolarHBondContact OD1-OH 3.4Å; D42-Y68 PolarHBondContact OD2-OH 3.04Å; Y68-R70 HydrophobicContact CE2-CG 3.72Å; Y68-L103 HydrophobicContact CD1-CD1 4.11Å; Y68-L103 HydrophobicContact CD2-CD1 4.39Å; Y68-L103 HydrophobicContact CE1-CD1 3.7Å; Y68-L103 HydrophobicContact CE1-CD2 4.44Å; Y68-L103 HydrophobicContact CE2-CB 4.46Å; Y68-L103 HydrophobicContact CE2-CD1 3.96Å; Y68-L103 HydrophobicContact CG-CD1 4.46Å; Y68-L106 HydrophobicContact CD2-CD2 3.62Å; Y68-L106 HydrophobicContact CE2-CD2 4.5Å; Y68-L106 HydrophobicContact CG-CD2 3.78Å
69D98.1Very high94Very high1 Ų124.5 Ų24.51%0.00513%0.126CC..PPolyproline II helixtrans-98126.6171.4-63.9-40.9000109.2H28 S48 S49 L73 G74 F75 S76H28-D69 HydrophobicContact CB-CB 4.28Å; H28-D69 IonicContact CE1-OD2 2.69Å; H28-D69 IonicContact CG-OD2 2.97Å; H28-D69 IonicContact ND1-OD2 3.47Å; H28-D69 PolarHBondContact ND1-OD2 3.17Å; H28-D69 PolarHBondContact O-N 3.39Å; S48-D69 WeakPolarHBondContact CA-OD1 3.27Å; S48-D69 WeakPolarHBondContact CB-OD1 3.28Å; S49-D69 VanDerWaalsContact CB-OD1 3.25Å; S49-D69 WeakPolarHBondContact CB-OD1 3.48Å; S49-D69 PolarHBondContact N-OD1 2.99Å; S49-D69 PolarHBondContact OG-OD1 3.07Å; D69-L73 WeakPolarHBondContact CB-O 3.1Å; D69-G74 WeakPolarHBondContact OD2-CA 3.45Å; D69-F75 PolarHBondContact OD2-N 3.17Å; D69-S76 WeakPolarHBondContact CB-OG 3.31Å; D69-S76 WeakPolarHBondContact O-CB 3.35Å; D69-S76 PolarHBondContact O-OG 2.75Å
70R96.6Very high92.4Very high6 Ų629.3 Ų29.32%0.02315%0.15CC..PPolyproline II helixtrans-64.3162.8172.9-63.2-172.9-59.5-88.2-1.3111D42 A43 P44 Y68 G72 L73 S76 M99 N127 E224D42-R70 IonicContact OD1-CZ 2.75Å; D42-R70 IonicContact OD1-NH1 3.54Å; D42-R70 PolarHBondContact OD1-NH1 3.09Å; A43-R70 PolarHBondContact O-NH1 3.29Å; P44-R70 PolarHBondContact O-NH2 3.14Å; Y68-R70 HydrophobicContact CE2-CG 3.72Å; R70-G72 PolarHBondContact O-N 2.87Å; R70-L73 HydrophobicContact CB-CD1 4.37Å; R70-L73 PolarHBondContact O-N 3.23Å; R70-S76 VanDerWaalsContact O-CB 3.25Å; R70-S76 WeakPolarHBondContact O-CB 3.44Å; R70-M99 VanDerWaalsContact CD-SD 3.55Å; R70-N127 WeakPolarHBondContact CD-ND2 3.14Å; R70-E224 IonicContact CZ-OE1 2.9Å; R70-E224 IonicContact CZ-OE2 3.31Å; R70-E224 IonicContact NE-OE1 3.79Å; R70-E224 PolarHBondContact NE-OE1 3.31Å; R70-E224 IonicContact NE-OE2 2.98Å; R70-E224 IonicContact NH2-OE1 3.99Å; R70-E224 PolarHBondContact NH2-OE1 3.46Å; R70-E224 IonicContact NH2-OE2 2.74Å; R70-E224 PolarHBondContact NH2-OE2 3.18Å
71M93.3Very high90.3Very high36 Ų3634.9 Ų34.918%0.17717%0.173CC..THydrogen-bonded Turntrans-49.2124.2-175.6-178.653.369.700112Q25 L27 L73Q25-M71 HydrophobicContact CB-CE 3.56Å; Q25-M71 VanDerWaalsContact CD-CE 3.49Å; Q25-M71 HydrophobicContact CG-CE 3.48Å; Q25-M71 VanDerWaalsContact CG-CE 3.48Å; L27-M71 HydrophobicContact CD2-CB 4.3Å; L27-M71 HydrophobicContact CD2-CE 3.79Å; L27-M71 HydrophobicContact CD2-SD 4.42Å; M71-L73 PolarHBondContact O-N 2.97Å
72G92.1Very high88.2Confident3 Ų338.3 Ų38.33%0.03119%0.185CC..THydrogen-bonded Turntrans72.42.5179.200000116.4R70 S76 H217 S220R70-G72 PolarHBondContact O-N 2.87Å; G72-S76 CarbonylContact C-O 3.54Å; G72-S76 VanDerWaalsContact CA-O 3.26Å; G72-S76 WeakPolarHBondContact CA-O 3.38Å; G72-S76 PolarHBondContact N-O 3.46Å; G72-H217 WeakPolarHBondContact O-CA 3.07Å; G72-S220 VanDerWaalsContact CA-OG 3.27Å; G72-S220 WeakPolarHBondContact CA-OG 3.48Å; G72-S220 VanDerWaalsContact O-CB 3.26Å; G72-S220 WeakPolarHBondContact O-CB 3.49Å; G72-S220 PolarHBondContact O-OG 2.88Å
73L95.3Very high86.2Confident0 Ų041.3 Ų41.30%020%0.198CC..SBendtrans-100.4166.1169.2-66.6-178.8000111.2D69 R70 M71 F75 S76 A221 E224D69-L73 WeakPolarHBondContact CB-O 3.1Å; R70-L73 HydrophobicContact CB-CD1 4.37Å; R70-L73 PolarHBondContact O-N 3.23Å; M71-L73 PolarHBondContact O-N 2.97Å; L73-F75 PolarHBondContact O-N 2.83Å; L73-F75 VanDerWaalsContact O-N 3.09Å; L73-S76 WeakPolarHBondContact O-CB 3.4Å; L73-S76 PolarHBondContact O-N 2.91Å; L73-A221 HydrophobicContact CD2-CB 4.12Å; L73-E224 WeakPolarHBondContact CD1-OE1 3.43Å; L73-E224 WeakPolarHBondContact CD1-OE2 3.33Å
74G94.9Very high84Confident5 Ų543 Ų435%0.05221%0.208CC..THydrogen-bonded Turntrans42.7-115.8-177.200000113.6D69 L211 H217D69-G74 WeakPolarHBondContact OD2-CA 3.45Å; G74-L211 WeakPolarHBondContact O-CD2 3.32Å; G74-H217 PolarHBondContact N-ND1 3.31Å
75F94.7Very high82Confident21 Ų2145.1 Ų45.19%0.09223%0.226CC..THydrogen-bonded Turntrans-102.2-0.4177.4-64.2-86000114.2G8 L11 L12 M18 H28 D69 L73 K77 R207 Y210G8-F75 WeakPolarHBondContact O-CE1 3.28Å; L11-F75 HydrophobicContact CB-CE1 4.06Å; L11-F75 HydrophobicContact CB-CZ 4.08Å; L11-F75 WeakPolarHBondContact O-CZ 3.29Å; L12-F75 HydrophobicContact CB-CD1 4.36Å; L12-F75 HydrophobicContact CD1-CB 3.55Å; L12-F75 HydrophobicContact CD1-CD1 3.69Å; L12-F75 HydrophobicContact CD1-CD2 4.44Å; L12-F75 HydrophobicContact CD1-CG 3.63Å; M18-F75 WeakPolarHBondContact CE-O 3.45Å; H28-F75 HydrophobicContact CB-CB 3.83Å; D69-F75 PolarHBondContact OD2-N 3.17Å; L73-F75 PolarHBondContact O-N 2.83Å; L73-F75 VanDerWaalsContact O-N 3.09Å; F75-K77 PolarHBondContact O-N 3.38Å; F75-R207 HydrophobicContact CE2-CG 4.28Å; F75-R207 HydrophobicContact CZ-CB 4.44Å; F75-R207 HydrophobicContact CZ-CG 3.87Å; F75-Y210 HydrophobicContact CE1-CD1 4.49Å; F75-Y210 HydrophobicContact CE1-CE1 4.19Å
76S94.1Very high79.8Confident5 Ų547.4 Ų47.44%0.03525%0.25CC..SBendtrans-71.7122.9172.2-70.60000110.4L27 H28 D69 R70 G72 L73 R78L27-S76 VanDerWaalsContact CA-OG 3.32Å; L27-S76 WeakPolarHBondContact CA-OG 3.29Å; H28-S76 PolarHBondContact N-OG 3.37Å; D69-S76 WeakPolarHBondContact CB-OG 3.31Å; D69-S76 WeakPolarHBondContact O-CB 3.35Å; D69-S76 PolarHBondContact O-OG 2.75Å; R70-S76 VanDerWaalsContact O-CB 3.25Å; R70-S76 WeakPolarHBondContact O-CB 3.44Å; G72-S76 CarbonylContact C-O 3.54Å; G72-S76 VanDerWaalsContact CA-O 3.26Å; G72-S76 WeakPolarHBondContact CA-O 3.38Å; G72-S76 PolarHBondContact N-O 3.46Å; L73-S76 WeakPolarHBondContact O-CB 3.4Å; L73-S76 PolarHBondContact O-N 2.91Å; S76-R78 PolarHBondContact O-N 3.07Å
77K83.4Confident77.6Confident111 Ų11151.6 Ų51.648%0.48328%0.276SS..PPolyproline II helixtrans-70.4123-173.7-176.4-174.8176.7-1660109.9F75 L79 E83F75-K77 PolarHBondContact O-N 3.38Å; K77-L79 PolarHBondContact O-N 3.39Å; K77-E83 VanDerWaalsContact CE-OE2 3.28Å; K77-E83 WeakPolarHBondContact CE-OE2 3.48Å; K77-E83 IonicContact NZ-OE1 3.82Å; K77-E83 PolarHBondContact NZ-OE1 2.93Å; K77-E83 IonicContact NZ-OE2 3.96Å; K77-E83 PolarHBondContact NZ-OE2 2.75Å
78R79.2Confident75.3Confident70 Ų7052.1 Ų52.126%0.26428%0.278SS..PPolyproline II helixtrans-66.2126.7167.4-171.8-179.3176.7109.5-1.7109.6S76 A216 S219 S220 D223S76-R78 PolarHBondContact O-N 3.07Å; R78-A216 HydrophobicContact CB-CB 4.36Å; R78-S219 VanDerWaalsContact NH1-CB 3.34Å; R78-S219 PolarHBondContact NH1-O 2.95Å; R78-S220 PolarHBondContact NH1-OG 3.27Å; R78-D223 IonicContact CZ-OD2 3.66Å; R78-D223 IonicContact NH1-OD2 3.27Å; R78-D223 PolarHBondContact NH1-OD2 2.98Å; R78-D223 IonicContact NH2-OD2 3.46Å; R78-D223 PolarHBondContact NH2-OD2 3.21Å
79L72.3Confident72.9Confident41 Ų4159.1 Ų59.122%0.21531%0.308CS..PPolyproline II helixtrans-69.4129.3171.8-69.2173.9000110.2Q25 K77 E88Q25-L79 HydrophobicContact CG-CD1 3.36Å; Q25-L79 HydrophobicContact CG-CD2 4.34Å; Q25-L79 HydrophobicContact CG-CG 4.05Å; Q25-L79 VanDerWaalsContact NE2-CD1 3.33Å; K77-L79 PolarHBondContact O-N 3.39Å; L79-E88 VanDerWaalsContact CD1-OE2 3.27Å; L79-E88 WeakPolarHBondContact CD1-OE2 3.29Å
80M63.2Low70.4Confident101 Ų10165.4 Ų65.450%0.49835%0.346SS..PPolyproline II helixtrans-91.6146174-63.6-65.3-75.400109.5N82 E83M80-N82 PolarHBondContact O-N 3.29Å; M80-E83 HydrophobicContact CB-CG 4.42Å; M80-E83 PolarHBondContact O-N 3.48Å
81Q53.9Low68.1Low142 Ų14270 Ų7066%0.66436%0.364SS*.G310 helixtrans-49.6-32-178.7-139.393.929.800113.4E83 T84Q81-E83 VanDerWaalsContact C-N 3.34Å; Q81-T84 PolarHBondContact O-OG1 3.13Å
82N53.8Low66.4Low162 Ų16271.3 Ų71.387%0.86639%0.387SS*.G310 helixtrans-82.7-11-175.6-51.60.6000113.4M80M80-N82 PolarHBondContact O-N 3.29Å
83E53.6Low65.2Low97 Ų9772.4 Ų72.445%0.45340%0.396SS..G310 helixtrans-99.32.1176.4-62.2-177.1150.400111.7K77 M80 Q81K77-E83 VanDerWaalsContact CE-OE2 3.28Å; K77-E83 WeakPolarHBondContact CE-OE2 3.48Å; K77-E83 IonicContact NZ-OE1 3.82Å; K77-E83 PolarHBondContact NZ-OE1 2.93Å; K77-E83 IonicContact NZ-OE2 3.96Å; K77-E83 PolarHBondContact NZ-OE2 2.75Å; M80-E83 HydrophobicContact CB-CG 4.42Å; M80-E83 PolarHBondContact O-N 3.48Å; Q81-E83 VanDerWaalsContact C-N 3.34Å
84T53.1Low64.8Low36 Ų3673.5 Ų73.522%0.22140%0.403CS..  trans-80.2134-175.563.30000111.9Q81 G86 E88Q81-T84 PolarHBondContact O-OG1 3.13Å; T84-G86 PolarHBondContact O-N 3.11Å; T84-G86 VanDerWaalsContact O-N 3.15Å; T84-E88 HydrophobicContact CG2-CB 4.03Å
85T56.1Low64.8Low105 Ų10573.7 Ų73.764%0.64440%0.404SS*.  trans-77.410.7176.555.20000113.8T87 E88T85-T87 VanDerWaalsContact C-N 3.26Å; T85-T87 PolarHBondContact O-N 3.03Å; T85-T87 PolarHBondContact OG1-OG1 3.36Å; T85-E88 PolarHBondContact N-OE1 3.35Å; T85-E88 PolarHBondContact OG1-OE1 2.98Å
86G52.9Low64.8Low48 Ų4872.7 Ų72.750%0.49540%0.399SS..SBendtrans86.1-28.7-178.100000114.6T84 E88T84-G86 PolarHBondContact O-N 3.11Å; T84-G86 VanDerWaalsContact O-N 3.15Å; G86-E88 VanDerWaalsContact C-N 3.29Å; G86-E88 PolarHBondContact O-N 2.96Å
87T51.9Low64.8Low89 Ų8973.5 Ų73.555%0.54641%0.408SS..G310 helixtrans-75.6-17.5174.550.70000113.1T85 W91T85-T87 VanDerWaalsContact C-N 3.26Å; T85-T87 PolarHBondContact O-N 3.03Å; T85-T87 PolarHBondContact OG1-OG1 3.36Å; T87-W91 PolarHBondContact O-NE1 3.19Å
88E50.7Low65.2Low12 Ų1269 Ų696%0.05639%0.388CS..G310 helixtrans-86.5-9.7-175.5-65.6161.1-121.400114.3L79 T84 T85 G86 V90 W91L79-E88 VanDerWaalsContact CD1-OE2 3.27Å; L79-E88 WeakPolarHBondContact CD1-OE2 3.29Å; T84-E88 HydrophobicContact CG2-CB 4.03Å; T85-E88 PolarHBondContact N-OE1 3.35Å; T85-E88 PolarHBondContact OG1-OE1 2.98Å; G86-E88 VanDerWaalsContact C-N 3.29Å; G86-E88 PolarHBondContact O-N 2.96Å; E88-V90 PolarHBondContact O-N 3.16Å; E88-W91 WeakPolarHBondContact O-CA 3.39Å; E88-W91 WeakPolarHBondContact O-CB 3.48Å; E88-W91 PolarHBondContact O-N 3.4Å
89K46.9Very low66Low151 Ų15166.1 Ų66.166%0.65738%0.377SS*.G310 helixtrans-64.9-20.6-177.6-79.3-176.7176.7178.80114.2W91K89-W91 VanDerWaalsContact C-N 3.34Å
90V46.2Very low67.1Low133 Ų13364.3 Ų64.381%0.80637%0.368SS*.G310 helixtrans-83.5-13.8173.7-175.10000111.5E88E88-V90 PolarHBondContact O-N 3.16Å
91W49.4Very low68.6Low101 Ų10161.5 Ų61.538%0.38336%0.355SS..  trans-106.217.9-168.9-6191.2000114.3T87 E88 K89 R98T87-W91 PolarHBondContact O-NE1 3.19Å; E88-W91 WeakPolarHBondContact O-CA 3.39Å; E88-W91 WeakPolarHBondContact O-CB 3.48Å; E88-W91 PolarHBondContact O-N 3.4Å; K89-W91 VanDerWaalsContact C-N 3.34Å; W91-R98 HydrophobicContact CE3-CG 4.39Å; W91-R98 VanDerWaalsContact CE3-CZ 3.45Å
92G56.7Low70.6Confident64 Ų6455 Ų5566%0.6633%0.325SS*.  trans-85.2-2.2-176.300000115.8
93A67.8Low72.7Confident27 Ų2747.4 Ų47.422%0.22328%0.284CS..  trans-92.8125-177.900000110.9T95 F227A93-T95 HydrophobicContact CB-CG2 3.86Å; A93-T95 PolarHBondContact O-N 3.44Å; A93-F227 HydrophobicContact CB-CD1 4.18Å; A93-F227 HydrophobicContact CB-CD2 4.39Å; A93-F227 HydrophobicContact CB-CE1 3.92Å; A93-F227 HydrophobicContact CB-CE2 4.15Å; A93-F227 HydrophobicContact CB-CG 4.41Å; A93-F227 HydrophobicContact CB-CZ 3.91Å
94S86.4Confident74.8Confident22 Ų2244.5 Ų44.515%0.15427%0.271CS..  trans-75.762.2175.8-59.80000111.5D223S94-D223 WeakPolarHBondContact OG-CB 3.41Å
95T94Very high76.9Confident10 Ų1046.6 Ų46.66%0.06127%0.274CS..  trans-102.3154-177.760.40000112.2A93 G97 R98 M99 F227 E230 S231 Q234A93-T95 HydrophobicContact CB-CG2 3.86Å; A93-T95 PolarHBondContact O-N 3.44Å; T95-G97 VanDerWaalsContact C-N 3.32Å; T95-G97 PolarHBondContact O-N 2.92Å; T95-R98 PolarHBondContact O-N 3.5Å; T95-R98 VanDerWaalsContact O-N 3.09Å; T95-M99 VanDerWaalsContact C-CE 3.47Å; T95-M99 WeakPolarHBondContact O-CG 3.46Å; T95-M99 PolarHBondContact O-N 2.89Å; T95-F227 HydrophobicContact CG2-CB 4Å; T95-F227 HydrophobicContact CG2-CD1 4.18Å; T95-F227 HydrophobicContact CG2-CG 4.24Å; T95-E230 HydrophobicContact CG2-CB 4.19Å; T95-E230 VanDerWaalsContact CG2-CD 3.49Å; T95-E230 HydrophobicContact CG2-CG 3.91Å; T95-S231 WeakPolarHBondContact CA-OG 3.4Å; T95-Q234 PolarHBondContact OG1-NE2 3Å
96T95.4Very high78.8Confident0 Ų041.6 Ų41.60%024%0.244CC..Hα-helixtrans-47-51.1178.3-60.50000112.8R98 M99 V100 F130 S231 V235T96-R98 VanDerWaalsContact C-N 3.27Å; T96-R98 PolarHBondContact O-N 3.49Å; T96-M99 PolarHBondContact O-N 3.46Å; T96-V100 HydrophobicContact CG2-CG2 4.26Å; T96-V100 WeakPolarHBondContact O-CB 3.23Å; T96-V100 WeakPolarHBondContact O-CG2 3.34Å; T96-V100 PolarHBondContact O-N 2.85Å; T96-F130 HydrophobicContact CG2-CB 3.36Å; T96-F130 HydrophobicContact CG2-CD1 4.19Å; T96-F130 HydrophobicContact CG2-CD2 3.96Å; T96-F130 HydrophobicContact CG2-CG 3.6Å; T96-S231 PolarHBondContact N-OG 3.18Å; T96-S231 WeakPolarHBondContact OG1-CA 3.47Å; T96-S231 WeakPolarHBondContact OG1-CB 3.38Å; T96-S231 PolarHBondContact OG1-O 2.73Å; T96-V235 HydrophobicContact CG2-CG2 3.82Å
97G94.1Very high81Confident21 Ų2139.4 Ų39.422%0.21622%0.221CC..Hα-helixtrans-59.7-38-17700000112.8T95 D101T95-G97 VanDerWaalsContact C-N 3.32Å; T95-G97 PolarHBondContact O-N 2.92Å; G97-D101 PolarHBondContact O-N 2.72Å; G97-D101 VanDerWaalsContact O-N 3.14Å
98R91.4Very high83.2Confident17 Ų1740 Ų406%0.06422%0.218CC..Hα-helixtrans-70.4-50.5174.9178.346.2175.4175.322.2111.5W91 T95 T96 V100 D101 D102W91-R98 HydrophobicContact CE3-CG 4.39Å; W91-R98 VanDerWaalsContact CE3-CZ 3.45Å; T95-R98 PolarHBondContact O-N 3.5Å; T95-R98 VanDerWaalsContact O-N 3.09Å; T96-R98 VanDerWaalsContact C-N 3.27Å; T96-R98 PolarHBondContact O-N 3.49Å; R98-V100 PolarHBondContact O-N 2.87Å; R98-V100 VanDerWaalsContact O-N 3.17Å; R98-D101 IonicContact CZ-OD2 2.74Å; R98-D101 IonicContact NH1-OD2 3.61Å; R98-D101 PolarHBondContact NH1-OD2 2.83Å; R98-D101 PolarHBondContact O-N 2.67Å; R98-D101 VanDerWaalsContact O-N 3.07Å; R98-D102 IonicContact CZ-OD1 2.68Å; R98-D102 IonicContact CZ-OD2 2.53Å; R98-D102 IonicContact NE-OD1 3.29Å; R98-D102 PolarHBondContact NE-OD1 2.88Å; R98-D102 IonicContact NE-OD2 3.27Å; R98-D102 PolarHBondContact NE-OD2 3.43Å; R98-D102 IonicContact NH1-OD1 3.48Å; R98-D102 IonicContact NH2-OD1 2.79Å; R98-D102 PolarHBondContact NH2-OD1 2.93Å; R98-D102 IonicContact NH2-OD2 3.24Å; R98-D102 PolarHBondContact O-N 2.89Å
99M95.4Very high85.4Confident9 Ų942.3 Ų42.34%0.04424%0.239CC..Hα-helixtrans-58.8-32-179.7-66.5-178.1-69.300111.9R70 T95 T96 L103 L123 N127 E224R70-M99 VanDerWaalsContact CD-SD 3.55Å; T95-M99 VanDerWaalsContact C-CE 3.47Å; T95-M99 WeakPolarHBondContact O-CG 3.46Å; T95-M99 PolarHBondContact O-N 2.89Å; T96-M99 PolarHBondContact O-N 3.46Å; M99-L103 WeakPolarHBondContact O-CB 3.46Å; M99-L103 PolarHBondContact O-N 2.84Å; M99-L123 HydrophobicContact CE-CD1 3.75Å; M99-L123 HydrophobicContact CE-CD2 3.66Å; M99-L123 HydrophobicContact CE-CG 3.86Å; M99-L123 HydrophobicContact SD-CD2 4.07Å; M99-N127 WeakPolarHBondContact CE-OD1 3.48Å; M99-E224 HydrophobicContact SD-CG 4.24Å
100V96.8Very high87.8Confident3 Ų336.3 Ų36.32%0.01822%0.217CC..Hα-helixtrans-73.1-39.9174.4166.10000113.3T96 R98 D102 L103 H104 N127 F130 Y131T96-V100 HydrophobicContact CG2-CG2 4.26Å; T96-V100 WeakPolarHBondContact O-CB 3.23Å; T96-V100 WeakPolarHBondContact O-CG2 3.34Å; T96-V100 PolarHBondContact O-N 2.85Å; R98-V100 PolarHBondContact O-N 2.87Å; R98-V100 VanDerWaalsContact O-N 3.17Å; V100-D102 VanDerWaalsContact C-N 3.3Å; V100-D102 PolarHBondContact O-N 2.04Å; V100-L103 PolarHBondContact O-N 2.8Å; V100-H104 WeakPolarHBondContact O-CB 3.28Å; V100-H104 PolarHBondContact O-N 3.06Å; V100-N127 HydrophobicContact CG2-CB 4.05Å; V100-N127 VanDerWaalsContact CG2-O 3.24Å; V100-N127 WeakPolarHBondContact CG2-O 3.2Å; V100-F130 HydrophobicContact CB-CD1 3.89Å; V100-F130 HydrophobicContact CB-CE1 4.48Å; V100-F130 HydrophobicContact CG1-CD1 3.89Å; V100-F130 HydrophobicContact CG1-CE1 4.45Å; V100-F130 HydrophobicContact CG2-CB 4.13Å; V100-F130 HydrophobicContact CG2-CD1 3.9Å; V100-F130 HydrophobicContact CG2-CG 4.45Å; V100-Y131 HydrophobicContact CG1-CD2 3.79Å; V100-Y131 HydrophobicContact CG1-CG 4.21Å
101D94.9Very high90.2Very high43 Ų4332.8 Ų32.823%0.2321%0.207CC..Hα-helixtrans-60.4-43.5172.1177.558.3000110.8G97 R98 H104 R105G97-D101 PolarHBondContact O-N 2.72Å; G97-D101 VanDerWaalsContact O-N 3.14Å; R98-D101 IonicContact CZ-OD2 2.74Å; R98-D101 IonicContact NH1-OD2 3.61Å; R98-D101 PolarHBondContact NH1-OD2 2.83Å; R98-D101 PolarHBondContact O-N 2.67Å; R98-D101 VanDerWaalsContact O-N 3.07Å; D101-H104 PolarHBondContact O-N 2.79Å; D101-R105 VanDerWaalsContact CG-NE 3.31Å; D101-R105 WeakPolarHBondContact O-CD 3.38Å; D101-R105 VanDerWaalsContact O-CG 3.3Å; D101-R105 WeakPolarHBondContact O-CG 3.4Å; D101-R105 PolarHBondContact O-N 2.73Å; D101-R105 IonicContact OD1-CZ 3.87Å; D101-R105 IonicContact OD1-NE 3.05Å; D101-R105 PolarHBondContact OD1-NE 3.03Å; D101-R105 IonicContact OD1-NH2 3.74Å; D101-R105 IonicContact OD2-CZ 3.52Å; D101-R105 IonicContact OD2-NE 2.95Å; D101-R105 PolarHBondContact OD2-NE 3.39Å; D101-R105 IonicContact OD2-NH2 3.47Å; D101-R105 PolarHBondContact OD2-NH2 2.98Å
102D94.8Very high92.5Very high6 Ų628.5 Ų28.53%0.03219%0.192CC..Hα-helixtrans-61-46.7175.3-76.9-15.6000111.7Q25 L27 R98 V100 R105 L106Q25-D102 PolarHBondContact OE1-OD1 2.94Å; L27-D102 HydrophobicContact CD1-CB 4.09Å; R98-D102 IonicContact CZ-OD1 2.68Å; R98-D102 IonicContact CZ-OD2 2.53Å; R98-D102 IonicContact NE-OD1 3.29Å; R98-D102 PolarHBondContact NE-OD1 2.88Å; R98-D102 IonicContact NE-OD2 3.27Å; R98-D102 PolarHBondContact NE-OD2 3.43Å; R98-D102 IonicContact NH1-OD1 3.48Å; R98-D102 IonicContact NH2-OD1 2.79Å; R98-D102 PolarHBondContact NH2-OD1 2.93Å; R98-D102 IonicContact NH2-OD2 3.24Å; R98-D102 PolarHBondContact O-N 2.89Å; V100-D102 VanDerWaalsContact C-N 3.3Å; V100-D102 PolarHBondContact O-N 2.04Å; D102-R105 PolarHBondContact O-N 2.89Å; D102-L106 VanDerWaalsContact O-CB 3.27Å; D102-L106 WeakPolarHBondContact O-CB 3.13Å; D102-L106 PolarHBondContact O-N 3.46Å
103L97.8Very high94.4Very high1 Ų127.5 Ų27.51%0.00518%0.177CC..Hα-helixtrans-61.3-43.7175176.858.5000111.5I40 Y68 M99 V100 R105 L106 L107 Y131I40-L103 HydrophobicContact CG2-CD1 4.26Å; Y68-L103 HydrophobicContact CD1-CD1 4.11Å; Y68-L103 HydrophobicContact CD2-CD1 4.39Å; Y68-L103 HydrophobicContact CE1-CD1 3.7Å; Y68-L103 HydrophobicContact CE1-CD2 4.44Å; Y68-L103 HydrophobicContact CE2-CB 4.46Å; Y68-L103 HydrophobicContact CE2-CD1 3.96Å; Y68-L103 HydrophobicContact CG-CD1 4.46Å; M99-L103 WeakPolarHBondContact O-CB 3.46Å; M99-L103 PolarHBondContact O-N 2.84Å; V100-L103 PolarHBondContact O-N 2.8Å; L103-R105 PolarHBondContact O-N 2.85Å; L103-L106 WeakPolarHBondContact O-CB 3.32Å; L103-L106 PolarHBondContact O-N 2.89Å; L103-L107 HydrophobicContact CD1-CD1 3.87Å; L103-L107 HydrophobicContact CD1-CD2 4.12Å; L103-L107 HydrophobicContact CD1-CG 3.78Å; L103-L107 HydrophobicContact CG-CD1 4.01Å; L103-L107 HydrophobicContact CG-CG 4.3Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.36Å; L103-L107 PolarHBondContact O-N 3.45Å; L103-Y131 HydrophobicContact CD2-CD2 3.87Å; L103-Y131 HydrophobicContact CD2-CE2 4.33Å; L103-Y131 HydrophobicContact CG-CD2 4.13Å; L103-Y131 HydrophobicContact CG-CE2 4.14Å
104H97.8Very high95.7Very high37 Ų3729.4 Ų29.417%0.17119%0.187CC..Hα-helixtrans-60.3-48.8179.2-176.364.3000111.5V100 D101 L106 L107 Q108 Y131 H135V100-H104 WeakPolarHBondContact O-CB 3.28Å; V100-H104 PolarHBondContact O-N 3.06Å; D101-H104 PolarHBondContact O-N 2.79Å; H104-L106 VanDerWaalsContact C-N 3.32Å; H104-L106 PolarHBondContact O-N 2.66Å; H104-L107 PolarHBondContact O-N 3.06Å; H104-Q108 WeakPolarHBondContact O-CB 3.37Å; H104-Q108 VanDerWaalsContact O-CG 3.28Å; H104-Q108 WeakPolarHBondContact O-CG 3.37Å; H104-Q108 PolarHBondContact O-N 3.35Å; H104-Y131 HydrophobicContact CB-CE2 3.82Å; H104-Y131 AromaticContact ND1-CZ 3.75Å; H104-Y131 PolarHBondContact ND1-OH 2.93Å; H104-H135 AromaticContact CD2-CE1 3.76Å; H104-H135 AromaticContact CD2-NE2 3.89Å; H104-H135 AromaticContact CE1-CE1 3.45Å; H104-H135 PolarHBondContact CE1-CE1 3.3Å; H104-H135 VanDerWaalsContact CE1-CE1 3.45Å; H104-H135 AromaticContact CE1-ND1 3.58Å; H104-H135 AromaticContact CE1-NE2 3.89Å; H104-H135 AromaticContact CG-CE1 3.74Å; H104-H135 AromaticContact CG-NE2 3.5Å; H104-H135 AromaticContact ND1-CD2 3.73Å; H104-H135 AromaticContact ND1-CE1 3.57Å; H104-H135 AromaticContact ND1-CG 3.91Å; H104-H135 AromaticContact ND1-ND1 3.82Å; H104-H135 AromaticContact ND1-NE2 3.52Å; H104-H135 AromaticContact NE2-CE1 3.59Å
105R96.8Very high96.2Very high79 Ų7931.7 Ų31.730%0.29820%0.201SC..Hα-helixtrans-61.2-41.1176-68.9161.7178.8-113.94.5111.8V21 D101 D102 L103 Q108 A109V21-R105 HydrophobicContact CB-CB 3.88Å; V21-R105 HydrophobicContact CG1-CB 4.36Å; V21-R105 WeakPolarHBondContact O-CD 3.24Å; V21-R105 PolarHBondContact O-NH1 3.29Å; D101-R105 VanDerWaalsContact CG-NE 3.31Å; D101-R105 WeakPolarHBondContact O-CD 3.38Å; D101-R105 VanDerWaalsContact O-CG 3.3Å; D101-R105 WeakPolarHBondContact O-CG 3.4Å; D101-R105 PolarHBondContact O-N 2.73Å; D101-R105 IonicContact OD1-CZ 3.87Å; D101-R105 IonicContact OD1-NE 3.05Å; D101-R105 PolarHBondContact OD1-NE 3.03Å; D101-R105 IonicContact OD1-NH2 3.74Å; D101-R105 IonicContact OD2-CZ 3.52Å; D101-R105 IonicContact OD2-NE 2.95Å; D101-R105 PolarHBondContact OD2-NE 3.39Å; D101-R105 IonicContact OD2-NH2 3.47Å; D101-R105 PolarHBondContact OD2-NH2 2.98Å; D102-R105 PolarHBondContact O-N 2.89Å; L103-R105 PolarHBondContact O-N 2.85Å; R105-Q108 PolarHBondContact O-N 3.17Å; R105-A109 VanDerWaalsContact O-CB 3.23Å; R105-A109 WeakPolarHBondContact O-CB 3.26Å; R105-A109 PolarHBondContact O-N 3.04Å
106L97.8Very high96.4Very high0 Ų031.3 Ų31.30%020%0.198CC..Hα-helixtrans-58.9-50.4176.1178.358.8000112V19 V21 L27 L29 Y68 D102 L103 H104 Q108 A109 A110V19-L106 HydrophobicContact CB-CD1 3.46Å; V19-L106 VanDerWaalsContact CB-CD1 3.46Å; V19-L106 HydrophobicContact CG1-CD1 3.79Å; V19-L106 HydrophobicContact CG2-CD1 3.76Å; V21-L106 HydrophobicContact CG1-CB 3.88Å; V21-L106 HydrophobicContact CG1-CD1 4.17Å; L27-L106 HydrophobicContact CB-CD1 4.16Å; L27-L106 HydrophobicContact CB-CD2 4.19Å; L27-L106 HydrophobicContact CD1-CB 4.34Å; L27-L106 HydrophobicContact CD1-CD2 4.07Å; L29-L106 HydrophobicContact CB-CD1 4.16Å; L29-L106 HydrophobicContact CD1-CD2 4.26Å; L29-L106 HydrophobicContact CD2-CD1 4.29Å; Y68-L106 HydrophobicContact CD2-CD2 3.62Å; Y68-L106 HydrophobicContact CE2-CD2 4.5Å; Y68-L106 HydrophobicContact CG-CD2 3.78Å; D102-L106 VanDerWaalsContact O-CB 3.27Å; D102-L106 WeakPolarHBondContact O-CB 3.13Å; D102-L106 PolarHBondContact O-N 3.46Å; L103-L106 WeakPolarHBondContact O-CB 3.32Å; L103-L106 PolarHBondContact O-N 2.89Å; H104-L106 VanDerWaalsContact C-N 3.32Å; H104-L106 PolarHBondContact O-N 2.66Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-Q108 PolarHBondContact O-N 2.91Å; L106-A109 PolarHBondContact O-N 2.95Å; L106-A110 WeakPolarHBondContact O-CB 3.38Å; L106-A110 PolarHBondContact O-N 3.33Å
107L98.2Very high96.5Very high2 Ų231.4 Ų31.41%0.0120%0.199CC..Hα-helixtrans-66.7-37.1-178.1-63.7178.8000111.9I40 L103 H104 G111 I112 F116 Y131I40-L107 HydrophobicContact CD1-CD2 3.79Å; I40-L107 HydrophobicContact CG1-CD1 4.38Å; I40-L107 HydrophobicContact CG1-CD2 4.05Å; I40-L107 HydrophobicContact CG2-CD2 4.12Å; L103-L107 HydrophobicContact CD1-CD1 3.87Å; L103-L107 HydrophobicContact CD1-CD2 4.12Å; L103-L107 HydrophobicContact CD1-CG 3.78Å; L103-L107 HydrophobicContact CG-CD1 4.01Å; L103-L107 HydrophobicContact CG-CG 4.3Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.36Å; L103-L107 PolarHBondContact O-N 3.45Å; H104-L107 PolarHBondContact O-N 3.06Å; L107-G111 PolarHBondContact O-N 2.76Å; L107-I112 HydrophobicContact CB-CB 4.32Å; L107-I112 HydrophobicContact CB-CG1 4.42Å; L107-I112 HydrophobicContact CD2-CB 4.24Å; L107-I112 HydrophobicContact CD2-CG1 3.8Å; L107-I112 HydrophobicContact CD2-CG2 4.41Å; L107-I112 PolarHBondContact O-N 2.83Å; L107-F116 HydrophobicContact CD1-CE1 3.87Å; L107-F116 HydrophobicContact CD1-CE2 3.94Å; L107-F116 HydrophobicContact CD1-CZ 3.45Å; L107-F116 VanDerWaalsContact CD1-CZ 3.45Å; L107-Y131 HydrophobicContact CD1-CE2 4.25Å
108Q97.4Very high96.8Very high103 Ų10330.5 Ų30.548%0.48119%0.189SC..Hα-helixtrans-65.7-51.8174-69.9-64.1-41.600111.7H104 R105 L106 A110 G111H104-Q108 WeakPolarHBondContact O-CB 3.37Å; H104-Q108 VanDerWaalsContact O-CG 3.28Å; H104-Q108 WeakPolarHBondContact O-CG 3.37Å; H104-Q108 PolarHBondContact O-N 3.35Å; R105-Q108 PolarHBondContact O-N 3.17Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-Q108 PolarHBondContact O-N 2.91Å; Q108-A110 VanDerWaalsContact C-N 3.27Å; Q108-A110 PolarHBondContact O-N 2.85Å; Q108-G111 PolarHBondContact O-N 3.27Å
109A97.2Very high97.1Very high60 Ų6029.7 Ų29.750%0.49619%0.186SC..Hα-helixtrans-62.9-33.6-179.700000112.5V19 R105 L106 G111V19-A109 HydrophobicContact CG1-CB 3.6Å; R105-A109 VanDerWaalsContact O-CB 3.23Å; R105-A109 WeakPolarHBondContact O-CB 3.26Å; R105-A109 PolarHBondContact O-N 3.04Å; L106-A109 PolarHBondContact O-N 2.95Å; A109-G111 VanDerWaalsContact C-N 3.29Å; A109-G111 PolarHBondContact O-N 3.48Å
110A96.9Very high97.2Very high24 Ų2429.2 Ų29.220%0.19818%0.184CC..THydrogen-bonded Turntrans-81.9-1.417600000114.3L29 L106 Q108 I112L29-A110 HydrophobicContact CD2-CB 3.37Å; L106-A110 WeakPolarHBondContact O-CB 3.38Å; L106-A110 PolarHBondContact O-N 3.33Å; Q108-A110 VanDerWaalsContact C-N 3.27Å; Q108-A110 PolarHBondContact O-N 2.85Å; A110-I112 VanDerWaalsContact C-N 3.34Å; A110-I112 HydrophobicContact CB-CD1 4.29Å; A110-I112 HydrophobicContact CB-CG1 4.14Å; A110-I112 PolarHBondContact O-N 2.88Å
111G96.7Very high97.3Very high59 Ų5929.1 Ų29.161%0.60818%0.183SC*.THydrogen-bonded Turntrans61.139.217900000113.3L107 Q108 A109 A113L107-G111 PolarHBondContact O-N 2.76Å; Q108-G111 PolarHBondContact O-N 3.27Å; A109-G111 VanDerWaalsContact C-N 3.29Å; A109-G111 PolarHBondContact O-N 3.48Å; G111-A113 PolarHBondContact O-N 2.81Å
112I97.9Very high97.4Very high11 Ų1127.2 Ų27.26%0.05617%0.172CC..PPolyproline II helixtrans-72.6122.3177.5-59.1-53.1000109.6A38 I40 L107 A110 F116A38-I112 HydrophobicContact CB-CG2 4.05Å; I40-I112 HydrophobicContact CD1-CG2 3.94Å; L107-I112 HydrophobicContact CB-CB 4.32Å; L107-I112 HydrophobicContact CB-CG1 4.42Å; L107-I112 HydrophobicContact CD2-CB 4.24Å; L107-I112 HydrophobicContact CD2-CG1 3.8Å; L107-I112 HydrophobicContact CD2-CG2 4.41Å; L107-I112 PolarHBondContact O-N 2.83Å; A110-I112 VanDerWaalsContact C-N 3.34Å; A110-I112 HydrophobicContact CB-CD1 4.29Å; A110-I112 HydrophobicContact CB-CG1 4.14Å; A110-I112 PolarHBondContact O-N 2.88Å; I112-F116 HydrophobicContact CG2-CD1 4.1Å
113A96.3Very high97.5Very high43 Ų4326.9 Ų26.936%0.35517%0.171SC..PPolyproline II helixtrans-68.9133.6-178.400000111.9G111G111-A113 PolarHBondContact O-N 2.81Å
114T96Very high97.6Very high68 Ų6826.9 Ų26.942%0.41717%0.171SC..SBendtrans-93.6155.1172.957.30000111.5F116 Q138T114-F116 HydrophobicContact CG2-CD1 3.97Å; T114-F116 HydrophobicContact CG2-CE1 3.84Å; T114-Q138 HydrophobicContact CG2-CB 3.71Å; T114-Q138 HydrophobicContact CG2-CG 3.84Å
115P96.7Very high97.6Very high69 Ų6925.1 Ų25.145%0.44816%0.162SC..SBendcis-75.3149.8-9.933.7-35.5000111.7P37 Q138P37-P115 WeakPolarHBondContact CB-O 3.35Å; P115-Q138 CarbonylContact C-O 3.56Å; P115-Q138 WeakPolarHBondContact CA-O 3.25Å
116F98.1Very high97.6Very high2 Ų221.3 Ų21.31%0.00915%0.148CC..EExtended strand (participates in β ladder)trans-119.8164.817653.1-105.6000111.2A38 I40 L107 I112 T114 L118 Y131 Q138 V139 S140A38-F116 HydrophobicContact CB-CB 4.12Å; A38-F116 CarbonylContact O-C 3.57Å; A38-F116 WeakPolarHBondContact O-CA 3.31Å; A38-F116 VanDerWaalsContact O-CB 3.3Å; A38-F116 WeakPolarHBondContact O-CB 3.44Å; I40-F116 HydrophobicContact CG1-CB 4.35Å; I40-F116 HydrophobicContact CG1-CD2 3.84Å; I40-F116 HydrophobicContact CG1-CE2 4.38Å; I40-F116 HydrophobicContact CG1-CG 4.1Å; L107-F116 HydrophobicContact CD1-CE1 3.87Å; L107-F116 HydrophobicContact CD1-CE2 3.94Å; L107-F116 HydrophobicContact CD1-CZ 3.45Å; L107-F116 VanDerWaalsContact CD1-CZ 3.45Å; I112-F116 HydrophobicContact CG2-CD1 4.1Å; T114-F116 HydrophobicContact CG2-CD1 3.97Å; T114-F116 HydrophobicContact CG2-CE1 3.84Å; F116-L118 HydrophobicContact CD2-CD2 3.89Å; F116-L118 HydrophobicContact CD2-CG 4.01Å; F116-L118 HydrophobicContact CE2-CD1 4.2Å; F116-L118 HydrophobicContact CE2-CD2 3.49Å; F116-L118 VanDerWaalsContact CE2-CD2 3.49Å; F116-L118 HydrophobicContact CE2-CG 3.69Å; F116-Y131 HydrophobicContact CE2-CE1 4.03Å; F116-Y131 AromaticContact CZ-CE1 3.59Å; F116-Y131 HydrophobicContact CZ-CE1 3.59Å; F116-Y131 AromaticContact CZ-CZ 3.73Å; F116-Q138 HydrophobicContact CE1-CB 4.12Å; F116-Q138 HydrophobicContact CZ-CB 4.19Å; F116-Q138 PolarHBondContact N-O 3.09Å; F116-V139 HydrophobicContact CE2-CG2 4.07Å; F116-V139 CarbonylContact O-C 3.56Å; F116-V139 WeakPolarHBondContact O-CA 3.05Å; F116-S140 PolarHBondContact O-N 3.19Å; F116-S140 PolarHBondContact O-OG 3.04Å
117M98.6Very high97.6Very high2 Ų221.3 Ų21.31%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-94.6130.9173.3-62.2-170.2-77.800109.8P37 A38 V39 I40 S140 D141 V313P37-M117 HydrophobicContact CB-CG 4.39Å; P37-M117 HydrophobicContact CG-CE 3.59Å; P37-M117 HydrophobicContact CG-CG 4.07Å; P37-M117 HydrophobicContact CG-SD 4.15Å; A38-M117 PolarHBondContact O-N 2.89Å; V39-M117 HydrophobicContact CG2-CB 4.4Å; V39-M117 HydrophobicContact CG2-CE 3.44Å; V39-M117 VanDerWaalsContact CG2-CE 3.44Å; I40-M117 PolarHBondContact N-O 3.33Å; M117-S140 WeakPolarHBondContact CG-OG 3.46Å; M117-D141 WeakPolarHBondContact CA-O 3.31Å; M117-D141 HydrophobicContact CB-CB 4.25Å; M117-D141 HydrophobicContact CG-CB 3.69Å; M117-D141 WeakPolarHBondContact CG-OD2 3.48Å; M117-D141 HydrophobicContact SD-CB 3.87Å; M117-V313 HydrophobicContact CE-CB 4Å; M117-V313 HydrophobicContact CE-CG1 4.47Å; M117-V313 HydrophobicContact CE-CG2 3.19Å
118L98.7Very high97.6Very high2 Ų221.3 Ų21.31%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-98.6126.2172.7-71.7177.8000109.5I40 F116 Y131 V139 D141 L142 V143I40-L118 HydrophobicContact CB-CD2 3.92Å; I40-L118 HydrophobicContact CG1-CD2 4.38Å; I40-L118 HydrophobicContact CG2-CD2 4.31Å; F116-L118 HydrophobicContact CD2-CD2 3.89Å; F116-L118 HydrophobicContact CD2-CG 4.01Å; F116-L118 HydrophobicContact CE2-CD1 4.2Å; F116-L118 HydrophobicContact CE2-CD2 3.49Å; F116-L118 VanDerWaalsContact CE2-CD2 3.49Å; F116-L118 HydrophobicContact CE2-CG 3.69Å; L118-Y131 HydrophobicContact CD1-CD1 3.63Å; L118-Y131 HydrophobicContact CD1-CE1 4.48Å; L118-Y131 HydrophobicContact CD1-CG 3.86Å; L118-V139 HydrophobicContact CD1-CG1 4.21Å; L118-V139 HydrophobicContact CD1-CG2 3.65Å; L118-V139 HydrophobicContact CG-CG1 4.26Å; L118-V139 HydrophobicContact CG-CG2 4.19Å; L118-D141 PolarHBondContact N-O 3Å; L118-L142 HydrophobicContact CB-CD1 4.22Å; L118-V143 PolarHBondContact O-N 3.31Å
119V98.8Very high97.5Very high0 Ų016.4 Ų16.40%013%0.125CC..EExtended strand (participates in β ladder)trans-125118.1176.4-1740000107.9V39 I40 L41 D42 W52 V143 I145 L309V39-V119 HydrophobicContact CG1-CG2 3.8Å; I40-V119 PolarHBondContact O-N 2.73Å; L41-V119 WeakPolarHBondContact CA-O 3.31Å; L41-V119 HydrophobicContact CD2-CB 3.62Å; L41-V119 HydrophobicContact CD2-CG1 4.04Å; L41-V119 HydrophobicContact CD2-CG2 3.9Å; D42-V119 PolarHBondContact N-O 3.47Å; W52-V119 HydrophobicContact CH2-CG1 4.03Å; V119-V143 WeakPolarHBondContact CA-O 3.3Å; V119-V143 HydrophobicContact CB-CB 4.3Å; V119-V143 HydrophobicContact CG1-CB 4.06Å; V119-V143 HydrophobicContact CG1-CG1 4.16Å; V119-V143 HydrophobicContact CG2-CB 4.03Å; V119-V143 HydrophobicContact CG2-CG2 4.24Å; V119-I145 HydrophobicContact CG1-CD1 4.08Å; V119-I145 HydrophobicContact CG1-CG1 4.5Å; V119-L309 HydrophobicContact CG1-CD1 4.13Å; V119-L309 HydrophobicContact CG1-CD2 4.22Å; V119-L309 HydrophobicContact CG2-CD1 4.26Å; V119-L309 HydrophobicContact CG2-CD2 3.63Å
120G98.3Very high97.5Very high0 Ų014.6 Ų14.60%011%0.106CC..EExtended strand (participates in β ladder)trans-130.9144-176.400000112G124 A125 V143 I145G120-G124 VanDerWaalsContact CA-C 3.42Å; G120-G124 WeakPolarHBondContact CA-O 3.46Å; G120-A125 WeakPolarHBondContact O-CB 3.35Å; G120-V143 PolarHBondContact N-O 3.09Å; G120-I145 PolarHBondContact O-N 2.89Å
121S97.9Very high97.6Very high0 Ų013.5 Ų13.50%010%0.097CC..EExtended strand (participates in β ladder)trans-113.4134.3173.2-170.10000110.1D42 P44 L123 G124 I145D42-S121 PolarHBondContact O-N 3.29Å; P44-S121 WeakPolarHBondContact CA-O 3.35Å; S121-L123 PolarHBondContact O-N 2.91Å; S121-L123 VanDerWaalsContact O-N 3.16Å; S121-G124 WeakPolarHBondContact O-CA 3.43Å; S121-G124 PolarHBondContact O-N 3.19Å; S121-I145 VanDerWaalsContact CA-O 3.26Å; S121-I145 WeakPolarHBondContact CA-O 3.29Å
122E96.9Very high97.6Very high3 Ų310.7 Ų10.71%0.0147%0.068CC..THydrogen-bonded Turntrans50.5-115.6-179.7-57177.1-131.500112.9P44 G124 A125 L126 I145 I148 F258 R295P44-E122 HydrophobicContact CB-CB 4.25Å; P44-E122 HydrophobicContact CB-CG 4.25Å; P44-E122 WeakPolarHBondContact CB-OE1 3.34Å; E122-G124 VanDerWaalsContact C-N 3.26Å; E122-G124 PolarHBondContact O-N 3.28Å; E122-A125 WeakPolarHBondContact O-CA 3.44Å; E122-A125 WeakPolarHBondContact O-CB 3.2Å; E122-A125 PolarHBondContact O-N 3.29Å; E122-L126 PolarHBondContact O-N 3.45Å; E122-I145 PolarHBondContact N-O 3.19Å; E122-I148 HydrophobicContact CB-CD1 4.14Å; E122-I148 HydrophobicContact CB-CG1 4.21Å; E122-F258 HydrophobicContact CG-CE2 4.5Å; E122-F258 HydrophobicContact CG-CZ 4.46Å; E122-R295 HydrophobicContact CG-CB 4.48Å; E122-R295 IonicContact OE1-CZ 2.8Å; E122-R295 IonicContact OE1-NE 2.65Å; E122-R295 PolarHBondContact OE1-NE 2.96Å; E122-R295 IonicContact OE1-NH2 3.42Å; E122-R295 PolarHBondContact OE1-NH2 2.91Å; E122-R295 IonicContact OE2-CZ 3.11Å; E122-R295 VanDerWaalsContact OE2-CZ 3.27Å; E122-R295 IonicContact OE2-NE 2.81Å; E122-R295 PolarHBondContact OE2-NE 3.23Å; E122-R295 IonicContact OE2-NH2 3.05Å; E122-R295 PolarHBondContact OE2-NH2 3.47Å
123L97.8Very high97.5Very high0 Ų010.2 Ų10.20%07%0.066CC..Hα-helixtrans-57.3-36.7173.4-17656.3000113T45 M99 S121 A125 L126 N127 E224 M228T45-L123 HydrophobicContact CG2-CB 4.36Å; T45-L123 HydrophobicContact CG2-CD2 3.99Å; T45-L123 WeakPolarHBondContact OG1-CB 3.17Å; M99-L123 HydrophobicContact CE-CD1 3.75Å; M99-L123 HydrophobicContact CE-CD2 3.66Å; M99-L123 HydrophobicContact CE-CG 3.86Å; M99-L123 HydrophobicContact SD-CD2 4.07Å; S121-L123 PolarHBondContact O-N 2.91Å; S121-L123 VanDerWaalsContact O-N 3.16Å; L123-A125 PolarHBondContact O-N 3.48Å; L123-L126 HydrophobicContact CD1-CB 4.34Å; L123-L126 HydrophobicContact CD1-CD1 4.06Å; L123-L126 WeakPolarHBondContact O-CB 3.34Å; L123-L126 PolarHBondContact O-N 3.38Å; L123-L126 VanDerWaalsContact O-N 3.09Å; L123-N127 PolarHBondContact O-N 2.63Å; L123-E224 HydrophobicContact CD2-CB 3.89Å; L123-E224 HydrophobicContact CD2-CG 3.95Å; L123-M228 HydrophobicContact CB-CE 4.06Å; L123-M228 HydrophobicContact CD1-CE 4.06Å; L123-M228 HydrophobicContact CD1-SD 4Å; L123-M228 HydrophobicContact CD2-CE 4.12Å; L123-M228 HydrophobicContact CG-CE 4.31Å
124G98.3Very high97.4Very high0 Ų011.3 Ų11.30%07%0.065CC..Hα-helixtrans-62.4-29.7173.900000112.2D42 A43 G120 S121 E122 S128D42-G124 VanDerWaalsContact CG-CA 3.41Å; D42-G124 WeakPolarHBondContact OD2-CA 3.4Å; A43-G124 PolarHBondContact O-N 3.09Å; G120-G124 VanDerWaalsContact CA-C 3.42Å; G120-G124 WeakPolarHBondContact CA-O 3.46Å; S121-G124 WeakPolarHBondContact O-CA 3.43Å; S121-G124 PolarHBondContact O-N 3.19Å; E122-G124 VanDerWaalsContact C-N 3.26Å; E122-G124 PolarHBondContact O-N 3.28Å; G124-S128 WeakPolarHBondContact O-CB 3.18Å; G124-S128 PolarHBondContact O-N 3.36Å; G124-S128 PolarHBondContact O-OG 3.5Å
125A97.7Very high97.4Very high0 Ų010.1 Ų10.10%05%0.054CC..Hα-helixtrans-70.2-40.9173.200000110.9G120 E122 L123 S128 R129 L144 P147G120-A125 WeakPolarHBondContact O-CB 3.35Å; E122-A125 WeakPolarHBondContact O-CA 3.44Å; E122-A125 WeakPolarHBondContact O-CB 3.2Å; E122-A125 PolarHBondContact O-N 3.29Å; L123-A125 PolarHBondContact O-N 3.48Å; A125-S128 PolarHBondContact O-N 3.41Å; A125-R129 VanDerWaalsContact O-CG 3.26Å; A125-R129 WeakPolarHBondContact O-CG 3.43Å; A125-R129 PolarHBondContact O-N 3.05Å; A125-L144 HydrophobicContact CB-CB 4.31Å; A125-L144 HydrophobicContact CB-CD2 3.94Å; A125-P147 HydrophobicContact CB-CB 3.92Å
126L96.8Very high97.3Very high0 Ų09.3 Ų9.30%05%0.047CC..Hα-helixtrans-60.7-46.4173-66175.9000111.8E122 L123 S128 R129 F130 I148 M228 V232 V235E122-L126 PolarHBondContact O-N 3.45Å; L123-L126 HydrophobicContact CD1-CB 4.34Å; L123-L126 HydrophobicContact CD1-CD1 4.06Å; L123-L126 WeakPolarHBondContact O-CB 3.34Å; L123-L126 PolarHBondContact O-N 3.38Å; L123-L126 VanDerWaalsContact O-N 3.09Å; L126-S128 PolarHBondContact O-N 3.06Å; L126-R129 PolarHBondContact O-N 2.94Å; L126-F130 WeakPolarHBondContact O-CB 3.26Å; L126-F130 PolarHBondContact O-N 3.11Å; L126-I148 HydrophobicContact CD1-CB 4.33Å; L126-M228 HydrophobicContact CD1-SD 3.95Å; L126-V232 HydrophobicContact CD1-CG1 3.62Å; L126-V232 HydrophobicContact CD2-CG1 4.33Å; L126-V235 HydrophobicContact CB-CG2 4.1Å; L126-V235 HydrophobicContact CD2-CG2 4.19Å
127N98.2Very high97.2Very high0 Ų013.4 Ų13.40%08%0.081CC..Hα-helixtrans-58.5-47.1174.2-68.8-16.2000111.7D42 R70 M99 V100 L123 R129 F130 Y131D42-N127 VanDerWaalsContact OD2-CB 3.29Å; D42-N127 WeakPolarHBondContact OD2-CB 3.36Å; D42-N127 PolarHBondContact OD2-ND2 3.41Å; R70-N127 WeakPolarHBondContact CD-ND2 3.14Å; M99-N127 WeakPolarHBondContact CE-OD1 3.48Å; V100-N127 HydrophobicContact CG2-CB 4.05Å; V100-N127 VanDerWaalsContact CG2-O 3.24Å; V100-N127 WeakPolarHBondContact CG2-O 3.2Å; L123-N127 PolarHBondContact O-N 2.63Å; N127-R129 VanDerWaalsContact C-N 3.3Å; N127-R129 PolarHBondContact O-N 2.95Å; N127-F130 PolarHBondContact O-N 3.2Å; N127-Y131 VanDerWaalsContact O-CB 3.3Å; N127-Y131 WeakPolarHBondContact O-CB 3.25Å; N127-Y131 PolarHBondContact O-N 2.94Å
128S98.1Very high97.1Very high1 Ų115.2 Ų15.21%0.0079%0.089CC..Hα-helixtrans-61.5-40.2-179.8-62.40000112G124 A125 L126 S132 L142G124-S128 WeakPolarHBondContact O-CB 3.18Å; G124-S128 PolarHBondContact O-N 3.36Å; G124-S128 PolarHBondContact O-OG 3.5Å; A125-S128 PolarHBondContact O-N 3.41Å; L126-S128 PolarHBondContact O-N 3.06Å; S128-S132 WeakPolarHBondContact O-CB 3.44Å; S128-S132 PolarHBondContact O-N 2.87Å; S128-S132 PolarHBondContact O-OG 3.38Å; S128-S132 VanDerWaalsContact O-OG 3.13Å; S128-L142 VanDerWaalsContact CB-CD1 3.48Å
129R96.1Very high97.1Very high0 Ų015.4 Ų15.40%09%0.09CC..Hα-helixtrans-62.4-56.3173.8-72.2178.268.4-136.9-13.9111.1A125 L126 N127 Y131 S132 H133 L142 L144 E150 V235 F277 Y282A125-R129 VanDerWaalsContact O-CG 3.26Å; A125-R129 WeakPolarHBondContact O-CG 3.43Å; A125-R129 PolarHBondContact O-N 3.05Å; L126-R129 PolarHBondContact O-N 2.94Å; N127-R129 VanDerWaalsContact C-N 3.3Å; N127-R129 PolarHBondContact O-N 2.95Å; R129-Y131 VanDerWaalsContact C-N 3.28Å; R129-Y131 PolarHBondContact O-N 2.88Å; R129-S132 PolarHBondContact O-N 2.86Å; R129-S132 PolarHBondContact O-OG 2.87Å; R129-H133 PolarHBondContact O-CD2 2.95Å; R129-H133 PolarHBondContact O-N 2.93Å; R129-L142 HydrophobicContact CG-CD2 4.01Å; R129-L144 HydrophobicContact CG-CD1 4.05Å; R129-L144 HydrophobicContact CG-CD2 3.6Å; R129-L144 HydrophobicContact CG-CG 4.49Å; R129-E150 IonicContact CZ-OE1 3.96Å; R129-E150 IonicContact NH1-OE1 3.97Å; R129-E150 PolarHBondContact NH1-OE1 3.35Å; R129-E150 IonicContact NH2-OE1 3.86Å; R129-E150 PolarHBondContact NH2-OE1 2.95Å; R129-V235 HydrophobicContact CB-CG1 4.3Å; R129-F277 VanDerWaalsContact NH1-CE2 3.28Å; R129-Y282 PolarHBondContact NE-OH 3.26Å
130F97.1Very high97Very high23 Ų2316 Ų1610%0.1019%0.094CC..Hα-helixtrans-57.6-42.1-179.3-167.6-86.7000112.1T96 V100 L126 N127 S132 H133 I134 Q234 V235 I238T96-F130 HydrophobicContact CG2-CB 3.36Å; T96-F130 HydrophobicContact CG2-CD1 4.19Å; T96-F130 HydrophobicContact CG2-CD2 3.96Å; T96-F130 HydrophobicContact CG2-CG 3.6Å; V100-F130 HydrophobicContact CB-CD1 3.89Å; V100-F130 HydrophobicContact CB-CE1 4.48Å; V100-F130 HydrophobicContact CG1-CD1 3.89Å; V100-F130 HydrophobicContact CG1-CE1 4.45Å; V100-F130 HydrophobicContact CG2-CB 4.13Å; V100-F130 HydrophobicContact CG2-CD1 3.9Å; V100-F130 HydrophobicContact CG2-CG 4.45Å; L126-F130 WeakPolarHBondContact O-CB 3.26Å; L126-F130 PolarHBondContact O-N 3.11Å; N127-F130 PolarHBondContact O-N 3.2Å; F130-S132 PolarHBondContact O-N 3.19Å; F130-H133 PolarHBondContact O-N 2.8Å; F130-I134 HydrophobicContact CD1-CD1 3.69Å; F130-I134 HydrophobicContact CD1-CG1 4.42Å; F130-I134 HydrophobicContact CE1-CD1 3.13Å; F130-I134 HydrophobicContact CE1-CG1 4.22Å; F130-I134 HydrophobicContact CZ-CD1 3.74Å; F130-I134 PolarHBondContact O-N 3.49Å; F130-I134 VanDerWaalsContact O-N 3.14Å; F130-Q234 HydrophobicContact CD2-CB 4.46Å; F130-Q234 HydrophobicContact CE2-CB 4Å; F130-Q234 WeakPolarHBondContact CE2-O 3.39Å; F130-V235 HydrophobicContact CB-CG2 4.18Å; F130-V235 HydrophobicContact CD2-CG2 4.2Å; F130-I238 HydrophobicContact CD2-CB 4.2Å; F130-I238 HydrophobicContact CD2-CG2 3.5Å; F130-I238 HydrophobicContact CE2-CB 3.95Å; F130-I238 HydrophobicContact CE2-CG2 3.77Å; F130-I238 HydrophobicContact CG-CG2 4.33Å
131Y98.2Very high96.9Very high0 Ų016.2 Ų16.20%010%0.096CC..Hα-helixtrans-57.4-49.7173.1-168.7-70.3000111.5V100 L103 H104 L107 F116 L118 N127 R129 H133 I134 H135 Q138 V139V100-Y131 HydrophobicContact CG1-CD2 3.79Å; V100-Y131 HydrophobicContact CG1-CG 4.21Å; L103-Y131 HydrophobicContact CD2-CD2 3.87Å; L103-Y131 HydrophobicContact CD2-CE2 4.33Å; L103-Y131 HydrophobicContact CG-CD2 4.13Å; L103-Y131 HydrophobicContact CG-CE2 4.14Å; H104-Y131 HydrophobicContact CB-CE2 3.82Å; H104-Y131 AromaticContact ND1-CZ 3.75Å; H104-Y131 PolarHBondContact ND1-OH 2.93Å; L107-Y131 HydrophobicContact CD1-CE2 4.25Å; F116-Y131 HydrophobicContact CE2-CE1 4.03Å; F116-Y131 AromaticContact CZ-CE1 3.59Å; F116-Y131 HydrophobicContact CZ-CE1 3.59Å; F116-Y131 AromaticContact CZ-CZ 3.73Å; L118-Y131 HydrophobicContact CD1-CD1 3.63Å; L118-Y131 HydrophobicContact CD1-CE1 4.48Å; L118-Y131 HydrophobicContact CD1-CG 3.86Å; N127-Y131 VanDerWaalsContact O-CB 3.3Å; N127-Y131 WeakPolarHBondContact O-CB 3.25Å; N127-Y131 PolarHBondContact O-N 2.94Å; R129-Y131 VanDerWaalsContact C-N 3.28Å; R129-Y131 PolarHBondContact O-N 2.88Å; Y131-H133 VanDerWaalsContact C-N 3.28Å; Y131-H133 PolarHBondContact O-N 2.9Å; Y131-I134 PolarHBondContact O-N 3.45Å; Y131-I134 VanDerWaalsContact O-N 3.17Å; Y131-H135 HydrophobicContact CD1-CB 3.94Å; Y131-H135 HydrophobicContact CE1-CB 3.49Å; Y131-H135 VanDerWaalsContact CE1-CB 3.49Å; Y131-H135 AromaticContact CE1-CD2 3.96Å; Y131-H135 AromaticContact CE2-CD2 3.98Å; Y131-H135 AromaticContact CZ-CD2 3.81Å; Y131-H135 PolarHBondContact O-N 2.91Å; Y131-Q138 HydrophobicContact CE1-CB 4.47Å; Y131-Q138 PolarHBondContact OH-OE1 2.88Å; Y131-V139 HydrophobicContact CD1-CG2 3.82Å; Y131-V139 HydrophobicContact CE1-CG2 4.02Å
132S97Very high96.9Very high0 Ų016.2 Ų16.20%010%0.096CC..Hα-helixtrans-67.3-26-178.564.70000113.8S128 R129 F130 D136 L244S128-S132 WeakPolarHBondContact O-CB 3.44Å; S128-S132 PolarHBondContact O-N 2.87Å; S128-S132 PolarHBondContact O-OG 3.38Å; S128-S132 VanDerWaalsContact O-OG 3.13Å; R129-S132 PolarHBondContact O-N 2.86Å; R129-S132 PolarHBondContact O-OG 2.87Å; F130-S132 PolarHBondContact O-N 3.19Å; S132-D136 VanDerWaalsContact O-CA 3.24Å; S132-D136 WeakPolarHBondContact O-CA 3.42Å; S132-D136 VanDerWaalsContact O-CB 3.29Å; S132-D136 WeakPolarHBondContact O-CB 3.4Å; S132-D136 PolarHBondContact O-N 3.31Å; S132-L244 WeakPolarHBondContact OG-CD1 3.45Å
133H95.4Very high97Very high2 Ų216 Ų161%0.00910%0.095CC..Hα-helixtrans-68.1-46.6169.2-74.4-73.1000111R129 F130 Y131 I238 T239 K242R129-H133 PolarHBondContact O-CD2 2.95Å; R129-H133 PolarHBondContact O-N 2.93Å; F130-H133 PolarHBondContact O-N 2.8Å; Y131-H133 VanDerWaalsContact C-N 3.28Å; Y131-H133 PolarHBondContact O-N 2.9Å; H133-I238 HydrophobicContact CB-CG1 3.82Å; H133-I238 HydrophobicContact CB-CG2 4.21Å; H133-T239 PolarHBondContact NE2-OG1 3.28Å; H133-K242 PolarHBondContact ND1-O 2.89Å; H133-K242 WeakPolarHBondContact O-CD 3.42Å; H133-K242 WeakPolarHBondContact O-CE 3.48Å; H133-K242 PolarHBondContact O-NZ 3.44Å
134I95.6Very high97Very high66 Ų6616 Ų1634%0.33810%0.095SC..Hα-helixtrans-76.3-45-175.6-62.6-177.3000112.4F130 Y131 I238 K242F130-I134 HydrophobicContact CD1-CD1 3.69Å; F130-I134 HydrophobicContact CD1-CG1 4.42Å; F130-I134 HydrophobicContact CE1-CD1 3.13Å; F130-I134 HydrophobicContact CE1-CG1 4.22Å; F130-I134 HydrophobicContact CZ-CD1 3.74Å; F130-I134 PolarHBondContact O-N 3.49Å; F130-I134 VanDerWaalsContact O-N 3.14Å; Y131-I134 PolarHBondContact O-N 3.45Å; Y131-I134 VanDerWaalsContact O-N 3.17Å; I134-I238 HydrophobicContact CG1-CD1 4.44Å; I134-I238 HydrophobicContact CG1-CG1 4.38Å; I134-K242 PolarHBondContact O-NZ 3.42Å
135H96.2Very high97Very high42 Ų4216 Ų1619%0.19410%0.095CC..THydrogen-bonded Turntrans-115.247.5-172.5-56.7-69.2000112.1H104 Y131 A137 Q138H104-H135 AromaticContact CD2-CE1 3.76Å; H104-H135 AromaticContact CD2-NE2 3.89Å; H104-H135 AromaticContact CE1-CE1 3.45Å; H104-H135 PolarHBondContact CE1-CE1 3.3Å; H104-H135 VanDerWaalsContact CE1-CE1 3.45Å; H104-H135 AromaticContact CE1-ND1 3.58Å; H104-H135 AromaticContact CE1-NE2 3.89Å; H104-H135 AromaticContact CG-CE1 3.74Å; H104-H135 AromaticContact CG-NE2 3.5Å; H104-H135 AromaticContact ND1-CD2 3.73Å; H104-H135 AromaticContact ND1-CE1 3.57Å; H104-H135 AromaticContact ND1-CG 3.91Å; H104-H135 AromaticContact ND1-ND1 3.82Å; H104-H135 AromaticContact ND1-NE2 3.52Å; H104-H135 AromaticContact NE2-CE1 3.59Å; Y131-H135 HydrophobicContact CD1-CB 3.94Å; Y131-H135 HydrophobicContact CE1-CB 3.49Å; Y131-H135 VanDerWaalsContact CE1-CB 3.49Å; Y131-H135 AromaticContact CE1-CD2 3.96Å; Y131-H135 AromaticContact CE2-CD2 3.98Å; Y131-H135 AromaticContact CZ-CD2 3.81Å; Y131-H135 PolarHBondContact O-N 2.91Å; H135-A137 VanDerWaalsContact C-N 3.27Å; H135-A137 PolarHBondContact O-N 3.36Å; H135-Q138 HydrophobicContact CB-CB 4.43Å; H135-Q138 HydrophobicContact CB-CG 4.32Å; H135-Q138 WeakPolarHBondContact O-CB 3.45Å; H135-Q138 PolarHBondContact O-N 3.15Å
136D93.8Very high96.9Very high53 Ų5316.1 Ų16.128%0.28310%0.095SC..G310 helixtrans-55.4-35.2-173.360.8-48000114.3S132 Q138 V139 K242 I248S132-D136 VanDerWaalsContact O-CA 3.24Å; S132-D136 WeakPolarHBondContact O-CA 3.42Å; S132-D136 VanDerWaalsContact O-CB 3.29Å; S132-D136 WeakPolarHBondContact O-CB 3.4Å; S132-D136 PolarHBondContact O-N 3.31Å; D136-Q138 PolarHBondContact O-N 2.89Å; D136-V139 PolarHBondContact O-N 2.61Å; D136-K242 IonicContact OD1-NZ 3Å; D136-K242 PolarHBondContact OD1-NZ 3.48Å; D136-I248 HydrophobicContact CB-CD1 4.12Å
137A95.2Very high96.8Very high88 Ų8816.1 Ų16.173%0.72710%0.095SC*.G310 helixtrans-67.2-16176.900000114.4H135H135-A137 VanDerWaalsContact C-N 3.27Å; H135-A137 PolarHBondContact O-N 3.36Å
138Q97.3Very high96.6Very high39 Ų3916.1 Ų16.118%0.18210%0.095CC..G310 helixtrans-94.6-10.2-177.6-58-169.3-500113.3T114 P115 F116 Y131 H135 D136T114-Q138 HydrophobicContact CG2-CB 3.71Å; T114-Q138 HydrophobicContact CG2-CG 3.84Å; P115-Q138 CarbonylContact C-O 3.56Å; P115-Q138 WeakPolarHBondContact CA-O 3.25Å; F116-Q138 HydrophobicContact CE1-CB 4.12Å; F116-Q138 HydrophobicContact CZ-CB 4.19Å; F116-Q138 PolarHBondContact N-O 3.09Å; Y131-Q138 HydrophobicContact CE1-CB 4.47Å; Y131-Q138 PolarHBondContact OH-OE1 2.88Å; H135-Q138 HydrophobicContact CB-CB 4.43Å; H135-Q138 HydrophobicContact CB-CG 4.32Å; H135-Q138 WeakPolarHBondContact O-CB 3.45Å; H135-Q138 PolarHBondContact O-N 3.15Å; D136-Q138 PolarHBondContact O-N 2.89Å
139V97.9Very high96.3Very high6 Ų616.1 Ų16.14%0.03610%0.095CC..EExtended strand (participates in β ladder)trans-112.6127.9-173-176.30000109.7F116 L118 Y131 D136 D141 I248F116-V139 HydrophobicContact CE2-CG2 4.07Å; F116-V139 CarbonylContact O-C 3.56Å; F116-V139 WeakPolarHBondContact O-CA 3.05Å; L118-V139 HydrophobicContact CD1-CG1 4.21Å; L118-V139 HydrophobicContact CD1-CG2 3.65Å; L118-V139 HydrophobicContact CG-CG1 4.26Å; L118-V139 HydrophobicContact CG-CG2 4.19Å; Y131-V139 HydrophobicContact CD1-CG2 3.82Å; Y131-V139 HydrophobicContact CE1-CG2 4.02Å; D136-V139 PolarHBondContact O-N 2.61Å; V139-D141 WeakPolarHBondContact CG1-O 3.27Å; V139-I248 HydrophobicContact CB-CD1 4.11Å; V139-I248 HydrophobicContact CG1-CD1 4.42Å; V139-I248 HydrophobicContact CG1-CG2 4.16Å
140S96.8Very high95.9Very high13 Ų1318.2 Ų18.29%0.09111%0.105CC..EExtended strand (participates in β ladder)trans-93.4-39.2173.964.60000112.5F116 M117 S249 R316F116-S140 PolarHBondContact O-N 3.19Å; F116-S140 PolarHBondContact O-OG 3.04Å; M117-S140 WeakPolarHBondContact CG-OG 3.46Å; S140-S249 PolarHBondContact O-N 2.9Å; S140-R316 PolarHBondContact O-NH2 2.58Å
141D97.6Very high95.6Very high4 Ų418.7 Ų18.72%0.02111%0.109CC..EExtended strand (participates in β ladder)trans-143.3143.4-175.5-51-98.7000109.8M117 L118 V139 S249 R316M117-D141 WeakPolarHBondContact CA-O 3.31Å; M117-D141 HydrophobicContact CB-CB 4.25Å; M117-D141 HydrophobicContact CG-CB 3.69Å; M117-D141 WeakPolarHBondContact CG-OD2 3.48Å; M117-D141 HydrophobicContact SD-CB 3.87Å; L118-D141 PolarHBondContact N-O 3Å; V139-D141 WeakPolarHBondContact CG1-O 3.27Å; D141-S249 CarbonylContact C-O 3.57Å; D141-S249 WeakPolarHBondContact CA-O 3.41Å; D141-S249 VanDerWaalsContact OD1-CB 3.28Å; D141-S249 WeakPolarHBondContact OD1-CB 3.26Å; D141-R316 IonicContact OD1-CZ 3.32Å; D141-R316 VanDerWaalsContact OD1-CZ 3.29Å; D141-R316 IonicContact OD1-NE 3.8Å; D141-R316 PolarHBondContact OD1-NE 3.36Å; D141-R316 IonicContact OD1-NH2 2.75Å; D141-R316 PolarHBondContact OD1-NH2 2.79Å; D141-R316 IonicContact OD2-CZ 3.66Å; D141-R316 IonicContact OD2-NE 3.09Å; D141-R316 PolarHBondContact OD2-NE 2.87Å; D141-R316 IonicContact OD2-NH2 3.78Å; D141-R316 PolarHBondContact OD2-NH2 3.39Å
142L98Very high95.5Very high0 Ų018.7 Ų18.70%011%0.109CC..EExtended strand (participates in β ladder)trans-120.4116.6178.3178.965.3000108.6L118 S128 R129 L144 L244 I248 S249 V250 S251L118-L142 HydrophobicContact CB-CD1 4.22Å; S128-L142 VanDerWaalsContact CB-CD1 3.48Å; R129-L142 HydrophobicContact CG-CD2 4.01Å; L142-L144 HydrophobicContact CD1-CD2 3.76Å; L142-L144 HydrophobicContact CD2-CD2 4.14Å; L142-L144 HydrophobicContact CD2-CG 4.49Å; L142-L144 HydrophobicContact CG-CD2 3.75Å; L142-L144 HydrophobicContact CG-CG 4.16Å; L142-L244 HydrophobicContact CD2-CD2 4.16Å; L142-I248 HydrophobicContact CB-CG2 3.82Å; L142-S249 PolarHBondContact N-O 3.13Å; L142-V250 HydrophobicContact CB-CG2 4.38Å; L142-V250 HydrophobicContact CD2-CG1 4.47Å; L142-V250 HydrophobicContact CD2-CG2 4.34Å; L142-V250 WeakPolarHBondContact O-CA 3.39Å; L142-S251 PolarHBondContact O-N 3.12Å
143V98.4Very high95.3Very high0 Ų019 Ų190%011%0.11CC..EExtended strand (participates in β ladder)trans-115.4114.3179.6-174.20000109.1L118 V119 G120 I145 S251 L253 L309 L312L118-V143 PolarHBondContact O-N 3.31Å; V119-V143 WeakPolarHBondContact CA-O 3.3Å; V119-V143 HydrophobicContact CB-CB 4.3Å; V119-V143 HydrophobicContact CG1-CB 4.06Å; V119-V143 HydrophobicContact CG1-CG1 4.16Å; V119-V143 HydrophobicContact CG2-CB 4.03Å; V119-V143 HydrophobicContact CG2-CG2 4.24Å; G120-V143 PolarHBondContact N-O 3.09Å; V143-I145 HydrophobicContact CG1-CG1 4.48Å; V143-S251 WeakPolarHBondContact CA-O 3.49Å; V143-L253 HydrophobicContact CG1-CD1 3.7Å; V143-L309 HydrophobicContact CB-CD2 4.21Å; V143-L309 HydrophobicContact CG1-CD2 4.01Å; V143-L309 HydrophobicContact CG2-CD2 3.84Å; V143-L312 HydrophobicContact CG2-CD1 3.71Å
144L98.1Very high95.3Very high0 Ų026.2 Ų26.20%014%0.144CC..EExtended strand (participates in β ladder)trans-104.9118.4-176.4-51.9178.1000109.3A125 R129 L142 P147 V250 S251 M252 L253 F277 Y282A125-L144 HydrophobicContact CB-CB 4.31Å; A125-L144 HydrophobicContact CB-CD2 3.94Å; R129-L144 HydrophobicContact CG-CD1 4.05Å; R129-L144 HydrophobicContact CG-CD2 3.6Å; R129-L144 HydrophobicContact CG-CG 4.49Å; L142-L144 HydrophobicContact CD1-CD2 3.76Å; L142-L144 HydrophobicContact CD2-CD2 4.14Å; L142-L144 HydrophobicContact CD2-CG 4.49Å; L142-L144 HydrophobicContact CG-CD2 3.75Å; L142-L144 HydrophobicContact CG-CG 4.16Å; L144-P147 HydrophobicContact CB-CB 4.37Å; L144-P147 HydrophobicContact CB-CG 4.15Å; L144-V250 HydrophobicContact CD1-CG1 4.35Å; L144-S251 PolarHBondContact N-O 3.42Å; L144-M252 CarbonylContact O-C 3.02Å; L144-M252 WeakPolarHBondContact O-CA 3.19Å; L144-L253 PolarHBondContact O-N 2.86Å; L144-F277 HydrophobicContact CD1-CE1 4.41Å; L144-F277 HydrophobicContact CD1-CZ 4.21Å; L144-Y282 HydrophobicContact CD1-CD2 4.29Å; L144-Y282 HydrophobicContact CD1-CE2 3.86Å
145I98.1Very high95.3Very high0 Ų026.5 Ų26.50%014%0.143CC..EExtended strand (participates in β ladder)trans-108.5119178.3-50.6-173.3000108.8W52 V119 G120 S121 E122 V143 P147 L253 M297 I298 I305W52-I145 HydrophobicContact CH2-CD1 3.69Å; W52-I145 HydrophobicContact CZ3-CD1 4.14Å; V119-I145 HydrophobicContact CG1-CD1 4.08Å; V119-I145 HydrophobicContact CG1-CG1 4.5Å; G120-I145 PolarHBondContact O-N 2.89Å; S121-I145 VanDerWaalsContact CA-O 3.26Å; S121-I145 WeakPolarHBondContact CA-O 3.29Å; E122-I145 PolarHBondContact N-O 3.19Å; V143-I145 HydrophobicContact CG1-CG1 4.48Å; I145-P147 VanDerWaalsContact C-N 3.31Å; I145-L253 HydrophobicContact CG1-CB 4.35Å; I145-L253 HydrophobicContact CG1-CD2 4.49Å; I145-L253 HydrophobicContact CG2-CB 4.45Å; I145-M297 HydrophobicContact CG2-CG 3.81Å; I145-M297 HydrophobicContact CG2-SD 3.57Å; I145-M297 VanDerWaalsContact CG2-SD 3.57Å; I145-I298 HydrophobicContact CD1-CG2 3.91Å; I145-I298 HydrophobicContact CG2-CG2 4.02Å; I145-I305 HydrophobicContact CD1-CD1 4.22Å; I145-I305 HydrophobicContact CD1-CG2 3.62Å
146D95.4Very high95.3Very high1 Ų129.5 Ų29.51%0.00516%0.161CC..SBendtrans36.458.6-174.1-73-47.5000112.8I148 L253 T254 G255 F258 R295 M297D146-I148 PolarHBondContact O-N 2.7Å; D146-L253 PolarHBondContact N-O 2.96Å; D146-T254 VanDerWaalsContact OD1-CA 3.3Å; D146-T254 WeakPolarHBondContact OD1-CA 3.44Å; D146-G255 PolarHBondContact OD1-N 2.96Å; D146-F258 HydrophobicContact CB-CD2 4.36Å; D146-F258 HydrophobicContact CB-CE2 4.34Å; D146-R295 HydrophobicContact CB-CB 4.31Å; D146-R295 VanDerWaalsContact OD2-CA 3.24Å; D146-R295 WeakPolarHBondContact OD2-CA 3.15Å; D146-R295 PolarHBondContact OD2-N 2.83Å; D146-M297 WeakPolarHBondContact OD2-CE 3.42Å
147P95.1Very high95.4Very high0 Ų031.9 Ų31.90%017%0.171CC..PPolyproline II helixtrans-59.8142.117926.9-34.6000110.2A125 L144 I145 P149 M252 Q274 F277A125-P147 HydrophobicContact CB-CB 3.92Å; L144-P147 HydrophobicContact CB-CB 4.37Å; L144-P147 HydrophobicContact CB-CG 4.15Å; I145-P147 VanDerWaalsContact C-N 3.31Å; P147-P149 WeakPolarHBondContact O-CD 3.36Å; P147-M252 HydrophobicContact CG-CE 3.55Å; P147-M252 HydrophobicContact CG-CG 4.34Å; P147-M252 HydrophobicContact CG-SD 3.93Å; P147-Q274 PolarHBondContact O-NE2 3.42Å; P147-F277 HydrophobicContact CB-CE1 4.3Å; P147-F277 HydrophobicContact CG-CD1 4.43Å; P147-F277 HydrophobicContact CG-CE1 3.83Å
148I94.2Very high95.5Very high1 Ų127.8 Ų27.81%0.00514%0.136CC..PPolyproline II helixtrans-73.5120.5170.1-61.9172.1000107E122 L126 D146 I152 F153 M228 V232 F258E122-I148 HydrophobicContact CB-CD1 4.14Å; E122-I148 HydrophobicContact CB-CG1 4.21Å; L126-I148 HydrophobicContact CD1-CB 4.33Å; D146-I148 PolarHBondContact O-N 2.7Å; I148-I152 HydrophobicContact CG2-CG2 3.96Å; I148-F153 HydrophobicContact CG2-CE2 4.37Å; I148-M228 HydrophobicContact CD1-CE 3.89Å; I148-M228 HydrophobicContact CD1-CG 4.44Å; I148-M228 HydrophobicContact CD1-SD 3.67Å; I148-V232 HydrophobicContact CG2-CG1 4.25Å; I148-F258 HydrophobicContact CG1-CZ 4.16Å
149P91.5Very high95.5Very high1 Ų128.9 Ų28.91%0.00614%0.141CC..PPolyproline II helixtrans-63.7145.1177-20.633.5000111.3P147 I152 V270 H273 Q274P147-P149 WeakPolarHBondContact O-CD 3.36Å; P149-I152 HydrophobicContact CB-CB 4.32Å; P149-I152 WeakPolarHBondContact O-CG2 3.34Å; P149-V270 HydrophobicContact CG-CG1 4.45Å; P149-H273 HydrophobicContact CB-CB 3.64Å; P149-H273 HydrophobicContact CG-CB 3.68Å; P149-Q274 HydrophobicContact CG-CB 4.3Å; P149-Q274 HydrophobicContact CG-CG 3.5Å
150E87.9Confident95.4Very high43 Ų4335.3 Ų35.320%0.20117%0.17CC..G310 helixtrans-71.3-38.3-174-66.3166.1-152.900113.2R129 I152 V232 V235 G236R129-E150 IonicContact CZ-OE1 3.96Å; R129-E150 IonicContact NH1-OE1 3.97Å; R129-E150 PolarHBondContact NH1-OE1 3.35Å; R129-E150 IonicContact NH2-OE1 3.86Å; R129-E150 PolarHBondContact NH2-OE1 2.95Å; E150-I152 VanDerWaalsContact C-N 3.27Å; E150-I152 PolarHBondContact O-N 3.24Å; E150-V232 HydrophobicContact CB-CB 4.44Å; E150-V235 HydrophobicContact CG-CB 4.49Å; E150-V235 HydrophobicContact CG-CG1 4.44Å; E150-V235 WeakPolarHBondContact OE1-CG1 3.45Å; E150-G236 WeakPolarHBondContact OE2-CA 3.4Å; E150-G236 PolarHBondContact OE2-N 2.91Å
151D90.9Very high95.4Very high34 Ų3436.4 Ų36.418%0.18217%0.172CC..G310 helixtrans-80.3-4.3-177.362.6-17.1000113F153 E154 H273 R276D151-F153 PolarHBondContact O-N 3.2Å; D151-E154 VanDerWaalsContact O-CB 3.32Å; D151-E154 WeakPolarHBondContact O-CB 3.39Å; D151-E154 PolarHBondContact O-N 2.84Å; D151-H273 IonicContact OD1-CE1 2.67Å; D151-H273 IonicContact OD1-CG 3.07Å; D151-H273 IonicContact OD1-ND1 2.63Å; D151-H273 PolarHBondContact OD1-ND1 3.42Å; D151-H273 IonicContact OD2-CE1 2.98Å; D151-H273 IonicContact OD2-ND1 2.79Å; D151-H273 PolarHBondContact OD2-ND1 2.95Å; D151-H273 VanDerWaalsContact OD2-ND1 3.09Å; D151-R276 IonicContact OD2-CZ 3.76Å; D151-R276 IonicContact OD2-NH1 3.78Å; D151-R276 PolarHBondContact OD2-NH1 2.94Å
152I94.4Very high95.3Very high0 Ų036.4 Ų36.40%017%0.172CC..G310 helixtrans-63.2-27-178.4-161.265.1000112.6I148 P149 E150 E154 E155 W158 M269 V270 H273I148-I152 HydrophobicContact CG2-CG2 3.96Å; P149-I152 HydrophobicContact CB-CB 4.32Å; P149-I152 WeakPolarHBondContact O-CG2 3.34Å; E150-I152 VanDerWaalsContact C-N 3.27Å; E150-I152 PolarHBondContact O-N 3.24Å; I152-E154 VanDerWaalsContact C-N 3.26Å; I152-E154 PolarHBondContact O-N 2.83Å; I152-E155 WeakPolarHBondContact O-CB 3.46Å; I152-E155 PolarHBondContact O-N 3.48Å; I152-W158 HydrophobicContact CD1-CD2 4.41Å; I152-W158 HydrophobicContact CD1-CE3 4.36Å; I152-W158 HydrophobicContact CG1-CB 4.31Å; I152-W158 HydrophobicContact CG1-CD2 3.56Å; I152-W158 HydrophobicContact CG1-CE3 3.91Å; I152-W158 HydrophobicContact CG1-CG 3.72Å; I152-W158 HydrophobicContact CG1-CZ2 4.38Å; I152-W158 HydrophobicContact CG1-CZ3 4.43Å; I152-W158 WeakPolarHBondContact O-CB 3.44Å; I152-M269 HydrophobicContact CD1-CG 3.71Å; I152-M269 HydrophobicContact CD1-SD 4.06Å; I152-V270 HydrophobicContact CD1-CG2 4.1Å; I152-V270 HydrophobicContact CG1-CG2 4.37Å; I152-H273 HydrophobicContact CD1-CB 4.1Å
153F94.6Very high95.3Very high7 Ų739.9 Ų39.93%0.03119%0.186CC..G310 helixtrans-81-3.1177.8-78.1-88.4000113.5I148 D151 E155 W158 K159 W162 Y163 M228 N229 V232I148-F153 HydrophobicContact CG2-CE2 4.37Å; D151-F153 PolarHBondContact O-N 3.2Å; F153-E155 VanDerWaalsContact C-N 3.3Å; F153-W158 AromaticContact CD1-CD1 3.89Å; F153-W158 AromaticContact CD2-NE1 3.99Å; F153-W158 AromaticContact CE1-CD1 3.95Å; F153-W158 AromaticContact CE1-NE1 3.7Å; F153-W158 AromaticContact CE2-NE1 3.64Å; F153-W158 AromaticContact CZ-NE1 3.48Å; F153-K159 HydrophobicContact CD1-CG 4.35Å; F153-K159 WeakPolarHBondContact O-CD 3.43Å; F153-K159 WeakPolarHBondContact O-CE 3.43Å; F153-W162 HydrophobicContact CE1-CB 4.38Å; F153-W162 AromaticContact CE1-CD1 3.83Å; F153-W162 HydrophobicContact CE1-CD2 4.14Å; F153-W162 AromaticContact CE1-CG 3.87Å; F153-W162 HydrophobicContact CE1-CG 3.87Å; F153-W162 AromaticContact CZ-CD2 3.89Å; F153-W162 HydrophobicContact CZ-CD2 3.89Å; F153-W162 AromaticContact CZ-CE2 3.87Å; F153-W162 HydrophobicContact CZ-CE3 4.35Å; F153-W162 HydrophobicContact CZ-CG 4.13Å; F153-W162 HydrophobicContact CZ-CZ2 4.33Å; F153-Y163 HydrophobicContact CD1-CE2 4.39Å; F153-Y163 HydrophobicContact CE1-CE2 4.29Å; F153-M228 HydrophobicContact CE2-CB 4.3Å; F153-M228 HydrophobicContact CE2-CG 3.54Å; F153-M228 HydrophobicContact CZ-CB 3.82Å; F153-M228 HydrophobicContact CZ-CG 3.46Å; F153-M228 VanDerWaalsContact CZ-CG 3.46Å; F153-N229 HydrophobicContact CB-CB 4.46Å; F153-N229 WeakPolarHBondContact CB-OD1 3.34Å; F153-N229 HydrophobicContact CD1-CB 3.79Å; F153-N229 HydrophobicContact CE1-CB 4.17Å; F153-N229 HydrophobicContact CG-CB 4.05Å; F153-V232 HydrophobicContact CB-CG2 4.47Å; F153-V232 HydrophobicContact CD2-CG1 4.31Å; F153-V232 HydrophobicContact CD2-CG2 3.71Å; F153-V232 HydrophobicContact CE2-CG1 4.35Å; F153-V232 HydrophobicContact CE2-CG2 4.37Å; F153-V232 HydrophobicContact CG-CG2 4.35Å
154E94.4Very high95.2Very high152 Ų15242.7 Ų42.771%0.7121%0.214SC*.G310 helixtrans-73-29.4167.3-59.1-174.5174.700110.9D151 I152 D156 K159D151-E154 VanDerWaalsContact O-CB 3.32Å; D151-E154 WeakPolarHBondContact O-CB 3.39Å; D151-E154 PolarHBondContact O-N 2.84Å; I152-E154 VanDerWaalsContact C-N 3.26Å; I152-E154 PolarHBondContact O-N 2.83Å; E154-D156 PolarHBondContact O-N 3.42Å; E154-K159 PolarHBondContact O-NZ 2.74Å
155E96.1Very high95.1Very high72 Ų7248.9 Ų48.934%0.33624%0.241SC..  trans-73.5122.5-178.8-62.1-67.2164.500112.4I152 F153 Q157 W158 K159 M269 H273I152-E155 WeakPolarHBondContact O-CB 3.46Å; I152-E155 PolarHBondContact O-N 3.48Å; F153-E155 VanDerWaalsContact C-N 3.3Å; E155-Q157 PolarHBondContact O-N 3.23Å; E155-W158 HydrophobicContact CB-CB 4.05Å; E155-W158 WeakPolarHBondContact O-CB 3.47Å; E155-W158 PolarHBondContact O-N 3.42Å; E155-K159 WeakPolarHBondContact O-CE 3.35Å; E155-K159 PolarHBondContact O-N 3.43Å; E155-K159 VanDerWaalsContact O-N 3.12Å; E155-M269 HydrophobicContact CB-CE 4.03Å; E155-M269 HydrophobicContact CB-SD 3.65Å; E155-M269 HydrophobicContact CG-CE 4.15Å; E155-M269 HydrophobicContact CG-CG 4.29Å; E155-M269 HydrophobicContact CG-SD 3.78Å; E155-H273 IonicContact OE1-CE1 2.72Å; E155-H273 IonicContact OE1-NE2 3.29Å; E155-H273 PolarHBondContact OE1-NE2 3.08Å
156D96.3Very high95Very high105 Ų10550 Ų5056%0.56125%0.247SC*.Hα-helixtrans-63.7-41.1-178.2-71.6-29000112.6E154 W158 K159 E160E154-D156 PolarHBondContact O-N 3.42Å; D156-W158 PolarHBondContact O-N 3.43Å; D156-K159 PolarHBondContact O-N 2.64Å; D156-K159 WeakPolarHBondContact OD1-CE 3.41Å; D156-K159 IonicContact OD1-NZ 2.95Å; D156-K159 PolarHBondContact OD1-NZ 2.99Å; D156-E160 WeakPolarHBondContact O-CB 3.38Å; D156-E160 WeakPolarHBondContact O-CG 3.46Å; D156-E160 PolarHBondContact O-N 3.48Å
157Q96.3Very high95.1Very high104 Ų10450.4 Ų50.449%0.48625%0.249SC..Hα-helixtrans-61.9-35.3178.2-59.6178.224.400111.9E155 Y161 H265 L266 M269E155-Q157 PolarHBondContact O-N 3.23Å; Q157-Y161 WeakPolarHBondContact O-CB 3.17Å; Q157-Y161 PolarHBondContact O-N 3.32Å; Q157-Y161 VanDerWaalsContact O-N 3.08Å; Q157-H265 PolarHBondContact OE1-CD2 3.11Å; Q157-L266 HydrophobicContact CB-CD2 4.23Å; Q157-M269 HydrophobicContact CB-CE 4.07Å
158W96.4Very high95.2Very high1 Ų152.9 Ų52.90%0.00427%0.266CS..Hα-helixtrans-67.5-48.4175.3-178-100.8000111.2I152 F153 E155 D156 E160 Y161 W162 F258 M262 M269 V270I152-W158 HydrophobicContact CD1-CD2 4.41Å; I152-W158 HydrophobicContact CD1-CE3 4.36Å; I152-W158 HydrophobicContact CG1-CB 4.31Å; I152-W158 HydrophobicContact CG1-CD2 3.56Å; I152-W158 HydrophobicContact CG1-CE3 3.91Å; I152-W158 HydrophobicContact CG1-CG 3.72Å; I152-W158 HydrophobicContact CG1-CZ2 4.38Å; I152-W158 HydrophobicContact CG1-CZ3 4.43Å; I152-W158 WeakPolarHBondContact O-CB 3.44Å; F153-W158 AromaticContact CD1-CD1 3.89Å; F153-W158 AromaticContact CD2-NE1 3.99Å; F153-W158 AromaticContact CE1-CD1 3.95Å; F153-W158 AromaticContact CE1-NE1 3.7Å; F153-W158 AromaticContact CE2-NE1 3.64Å; F153-W158 AromaticContact CZ-NE1 3.48Å; E155-W158 HydrophobicContact CB-CB 4.05Å; E155-W158 WeakPolarHBondContact O-CB 3.47Å; E155-W158 PolarHBondContact O-N 3.42Å; D156-W158 PolarHBondContact O-N 3.43Å; W158-E160 VanDerWaalsContact C-N 3.34Å; W158-E160 PolarHBondContact O-N 3.07Å; W158-Y161 PolarHBondContact O-N 3.08Å; W158-W162 AromaticContact CE2-CE3 3.83Å; W158-W162 HydrophobicContact CH2-CE3 4.44Å; W158-W162 HydrophobicContact CH2-CZ3 4.44Å; W158-W162 AromaticContact CZ2-CE3 3.54Å; W158-W162 HydrophobicContact CZ2-CE3 3.54Å; W158-W162 AromaticContact CZ2-CZ3 3.65Å; W158-W162 HydrophobicContact CZ2-CZ3 3.65Å; W158-W162 AromaticContact NE1-CE3 3.92Å; W158-W162 VanDerWaalsContact O-CB 3.27Å; W158-W162 WeakPolarHBondContact O-CB 3.26Å; W158-W162 PolarHBondContact O-N 3.21Å; W158-F258 HydrophobicContact CH2-CD1 4.39Å; W158-F258 HydrophobicContact CH2-CE1 4.11Å; W158-M262 HydrophobicContact CE3-CE 4.22Å; W158-M262 HydrophobicContact CH2-CE 3.89Å; W158-M262 HydrophobicContact CH2-SD 4.38Å; W158-M262 HydrophobicContact CZ3-CE 3.33Å; W158-M262 HydrophobicContact CZ3-SD 4.38Å; W158-M269 HydrophobicContact CB-SD 4.13Å; W158-V270 HydrophobicContact CE3-CG2 3.97Å; W158-V270 HydrophobicContact CH2-CG2 3.65Å; W158-V270 HydrophobicContact CZ3-CG2 3.21Å
159K96.6Very high95.3Very high63 Ų6355 Ų5527%0.27428%0.28SS..Hα-helixtrans-59.2-43.8176.7-73.9176.5-67.4-162.80111.9F153 E154 E155 D156 W162 Y163F153-K159 HydrophobicContact CD1-CG 4.35Å; F153-K159 WeakPolarHBondContact O-CD 3.43Å; F153-K159 WeakPolarHBondContact O-CE 3.43Å; E154-K159 PolarHBondContact O-NZ 2.74Å; E155-K159 WeakPolarHBondContact O-CE 3.35Å; E155-K159 PolarHBondContact O-N 3.43Å; E155-K159 VanDerWaalsContact O-N 3.12Å; D156-K159 PolarHBondContact O-N 2.64Å; D156-K159 WeakPolarHBondContact OD1-CE 3.41Å; D156-K159 IonicContact OD1-NZ 2.95Å; D156-K159 PolarHBondContact OD1-NZ 2.99Å; K159-W162 PolarHBondContact O-N 3.26Å; K159-Y163 HydrophobicContact CB-CD2 4.24Å; K159-Y163 HydrophobicContact CG-CE2 4.37Å; K159-Y163 WeakPolarHBondContact O-CD2 3.34Å; K159-Y163 PolarHBondContact O-N 2.72Å
160E96.8Very high95.6Very high141 Ų14155.5 Ų55.566%0.65928%0.283SS*.Hα-helixtrans-60-45.4176.9-76.4-179.7-175.900111.7D156 W158 G164D156-E160 WeakPolarHBondContact O-CB 3.38Å; D156-E160 WeakPolarHBondContact O-CG 3.46Å; D156-E160 PolarHBondContact O-N 3.48Å; W158-E160 VanDerWaalsContact C-N 3.34Å; W158-E160 PolarHBondContact O-N 3.07Å; E160-G164 WeakPolarHBondContact O-CA 3.35Å; E160-G164 PolarHBondContact O-N 2.73Å
161Y96.5Very high96Very high35 Ų3557.7 Ų57.714%0.13729%0.293CS..Hα-helixtrans-64.5-47174.6172.4-97.3000112Q157 W158 K165 L166 M262 L266Q157-Y161 WeakPolarHBondContact O-CB 3.17Å; Q157-Y161 PolarHBondContact O-N 3.32Å; Q157-Y161 VanDerWaalsContact O-N 3.08Å; W158-Y161 PolarHBondContact O-N 3.08Å; Y161-K165 HydrophobicContact CD2-CB 4.36Å; Y161-K165 HydrophobicContact CD2-CD 4.08Å; Y161-K165 HydrophobicContact CE2-CD 3.94Å; Y161-K165 WeakPolarHBondContact O-CA 3.38Å; Y161-K165 WeakPolarHBondContact O-CB 3.45Å; Y161-K165 PolarHBondContact O-N 2.84Å; Y161-L166 HydrophobicContact CE1-CB 4.21Å; Y161-L166 HydrophobicContact CE1-CD2 4.48Å; Y161-L166 PolarHBondContact O-N 2.72Å; Y161-M262 HydrophobicContact CD1-CE 4.19Å; Y161-M262 HydrophobicContact CE1-CE 3.85Å; Y161-M262 HydrophobicContact CE1-CG 4.17Å; Y161-M262 HydrophobicContact CE1-SD 4.04Å; Y161-M262 WeakPolarHBondContact OH-CG 3.41Å; Y161-L266 HydrophobicContact CD1-CD1 3.82Å; Y161-L266 HydrophobicContact CD2-CD1 3.54Å; Y161-L266 HydrophobicContact CE1-CD1 4.45Å; Y161-L266 HydrophobicContact CE2-CD1 4.2Å; Y161-L266 HydrophobicContact CG-CD1 3.33Å
162W96.3Very high96.3Very high4 Ų459 Ų592%0.01531%0.308CS..Iπ-helixtrans-64.7-54.1-174.1-167.8-89.5000111.8F153 W158 K159 L166 L167 H225 M228F153-W162 HydrophobicContact CE1-CB 4.38Å; F153-W162 AromaticContact CE1-CD1 3.83Å; F153-W162 HydrophobicContact CE1-CD2 4.14Å; F153-W162 AromaticContact CE1-CG 3.87Å; F153-W162 HydrophobicContact CE1-CG 3.87Å; F153-W162 AromaticContact CZ-CD2 3.89Å; F153-W162 HydrophobicContact CZ-CD2 3.89Å; F153-W162 AromaticContact CZ-CE2 3.87Å; F153-W162 HydrophobicContact CZ-CE3 4.35Å; F153-W162 HydrophobicContact CZ-CG 4.13Å; F153-W162 HydrophobicContact CZ-CZ2 4.33Å; W158-W162 AromaticContact CE2-CE3 3.83Å; W158-W162 HydrophobicContact CH2-CE3 4.44Å; W158-W162 HydrophobicContact CH2-CZ3 4.44Å; W158-W162 AromaticContact CZ2-CE3 3.54Å; W158-W162 HydrophobicContact CZ2-CE3 3.54Å; W158-W162 AromaticContact CZ2-CZ3 3.65Å; W158-W162 HydrophobicContact CZ2-CZ3 3.65Å; W158-W162 AromaticContact NE1-CE3 3.92Å; W158-W162 VanDerWaalsContact O-CB 3.27Å; W158-W162 WeakPolarHBondContact O-CB 3.26Å; W158-W162 PolarHBondContact O-N 3.21Å; K159-W162 PolarHBondContact O-N 3.26Å; W162-L166 HydrophobicContact CD2-CD2 3.97Å; W162-L166 HydrophobicContact CE3-CD2 3.6Å; W162-L166 HydrophobicContact CH2-CD2 3.98Å; W162-L166 HydrophobicContact CZ2-CD2 4.31Å; W162-L166 HydrophobicContact CZ3-CD2 3.6Å; W162-L166 WeakPolarHBondContact O-CB 3.42Å; W162-L166 PolarHBondContact O-N 2.67Å; W162-L167 WeakPolarHBondContact O-CB 3.24Å; W162-L167 PolarHBondContact O-N 3.49Å; W162-H225 AromaticContact CH2-CD2 3.9Å; W162-H225 HydrophobicContact CZ2-CB 4.16Å; W162-H225 AromaticContact CZ2-CD2 3.64Å; W162-H225 PolarHBondContact NE1-O 3.3Å; W162-M228 HydrophobicContact CH2-CE 4.33Å; W162-M228 HydrophobicContact CH2-CG 4.2Å; W162-M228 HydrophobicContact CZ2-CB 3.72Å; W162-M228 HydrophobicContact CZ2-CE 4.12Å; W162-M228 HydrophobicContact CZ2-CG 3.71Å
163Y97Very high96.4Very high74 Ų7465.4 Ų65.429%0.2933%0.333SS..Iπ-helixtrans-86.6-27.5-177.2-63.3-67.8000113.5F153 K159 L167 P168 N229F153-Y163 HydrophobicContact CD1-CE2 4.39Å; F153-Y163 HydrophobicContact CE1-CE2 4.29Å; K159-Y163 HydrophobicContact CB-CD2 4.24Å; K159-Y163 HydrophobicContact CG-CE2 4.37Å; K159-Y163 WeakPolarHBondContact O-CD2 3.34Å; K159-Y163 PolarHBondContact O-N 2.72Å; Y163-L167 HydrophobicContact CD1-CD2 3.97Å; Y163-P168 WeakPolarHBondContact O-CD 3.36Å; Y163-P168 WeakPolarHBondContact O-CG 3.08Å; Y163-N229 VanDerWaalsContact OH-CB 3.24Å; Y163-N229 WeakPolarHBondContact OH-CB 3.36Å
164G96.6Very high96.4Very high58 Ų5867.6 Ų67.660%0.59834%0.343SS*.Iπ-helixtrans-88.1-25.2-178.300000114.3E160E160-G164 WeakPolarHBondContact O-CA 3.35Å; E160-G164 PolarHBondContact O-N 2.73Å
165K95.8Very high96.5Very high131 Ų13167.2 Ų67.257%0.5734%0.339SS*.Iπ-helixtrans-126.2-54.6-175.9-172.7176.1178.7179.80113.5Y161 S169Y161-K165 HydrophobicContact CD2-CB 4.36Å; Y161-K165 HydrophobicContact CD2-CD 4.08Å; Y161-K165 HydrophobicContact CE2-CD 3.94Å; Y161-K165 WeakPolarHBondContact O-CA 3.38Å; Y161-K165 WeakPolarHBondContact O-CB 3.45Å; Y161-K165 PolarHBondContact O-N 2.84Å; K165-S169 WeakPolarHBondContact O-CB 3.48Å; K165-S169 PolarHBondContact O-N 3.27Å
166L95.6Very high96.6Very high23 Ų2364.4 Ų64.412%0.1233%0.327CS..Iπ-helixtrans-66.2-56.6-174.3178.662.1000111.2Y161 W162 S169 L170Y161-L166 HydrophobicContact CE1-CB 4.21Å; Y161-L166 HydrophobicContact CE1-CD2 4.48Å; Y161-L166 PolarHBondContact O-N 2.72Å; W162-L166 HydrophobicContact CD2-CD2 3.97Å; W162-L166 HydrophobicContact CE3-CD2 3.6Å; W162-L166 HydrophobicContact CH2-CD2 3.98Å; W162-L166 HydrophobicContact CZ2-CD2 4.31Å; W162-L166 HydrophobicContact CZ3-CD2 3.6Å; W162-L166 WeakPolarHBondContact O-CB 3.42Å; W162-L166 PolarHBondContact O-N 2.67Å; L166-S169 WeakPolarHBondContact O-CB 3.45Å; L166-S169 PolarHBondContact O-N 2.98Å; L166-S169 VanDerWaalsContact O-N 3.1Å; L166-S169 PolarHBondContact O-OG 3.13Å; L166-L170 HydrophobicContact CD1-CD1 4.41Å; L166-L170 HydrophobicContact CG-CD1 4.28Å; L166-L170 WeakPolarHBondContact O-CG 3.32Å; L166-L170 PolarHBondContact O-N 2.89Å; L166-L170 VanDerWaalsContact O-N 3.12Å
167L97Very high96.5Very high10 Ų1059.6 Ų59.65%0.05230%0.302CS..Hα-helixtrans-59.8-45.9-177.1-178.572.7000113W162 Y163 S169 L170 Q171 V222 H225 Y226W162-L167 WeakPolarHBondContact O-CB 3.24Å; W162-L167 PolarHBondContact O-N 3.49Å; Y163-L167 HydrophobicContact CD1-CD2 3.97Å; L167-S169 VanDerWaalsContact C-N 3.27Å; L167-S169 PolarHBondContact O-N 2.96Å; L167-L170 WeakPolarHBondContact O-CB 3.1Å; L167-L170 PolarHBondContact O-N 3.15Å; L167-L170 VanDerWaalsContact O-N 3.08Å; L167-Q171 WeakPolarHBondContact O-CG 3.36Å; L167-Q171 PolarHBondContact O-N 3.28Å; L167-V222 HydrophobicContact CD1-CG1 3.96Å; L167-H225 HydrophobicContact CD1-CB 4.03Å; L167-Y226 HydrophobicContact CD2-CD2 3.77Å
168P98Very high96.4Very high52 Ų5257.8 Ų57.834%0.33831%0.305SS..Hα-helixtrans-60-35.4174.2-27.737.3000113.4Y163 L170 Q171 A172Y163-P168 WeakPolarHBondContact O-CD 3.36Å; Y163-P168 WeakPolarHBondContact O-CG 3.08Å; P168-L170 VanDerWaalsContact C-N 3.3Å; P168-L170 PolarHBondContact O-N 2.85Å; P168-Q171 PolarHBondContact O-N 3.29Å; P168-A172 PolarHBondContact O-N 2.85Å
169S96.6Very high96.3Very high45 Ų4561.4 Ų61.432%0.31533%0.327SS..Hα-helixtrans-65.4-34.3175.881.90000112.4K165 L166 L167 A172 R173K165-S169 WeakPolarHBondContact O-CB 3.48Å; K165-S169 PolarHBondContact O-N 3.27Å; L166-S169 WeakPolarHBondContact O-CB 3.45Å; L166-S169 PolarHBondContact O-N 2.98Å; L166-S169 VanDerWaalsContact O-N 3.1Å; L166-S169 PolarHBondContact O-OG 3.13Å; L167-S169 VanDerWaalsContact C-N 3.27Å; L167-S169 PolarHBondContact O-N 2.96Å; S169-A172 PolarHBondContact O-N 3.16Å; S169-R173 WeakPolarHBondContact O-CG 3.17Å; S169-R173 PolarHBondContact O-N 3.05Å; S169-R173 VanDerWaalsContact O-N 3.17Å
170L96.9Very high96.2Very high11 Ų1159.9 Ų59.96%0.05833%0.33CS..Hα-helixtrans-73-39.7175.4-63.3171.9000111.4L166 L167 P168 A172 R173 Q174 V222 H225L166-L170 HydrophobicContact CD1-CD1 4.41Å; L166-L170 HydrophobicContact CG-CD1 4.28Å; L166-L170 WeakPolarHBondContact O-CG 3.32Å; L166-L170 PolarHBondContact O-N 2.89Å; L166-L170 VanDerWaalsContact O-N 3.12Å; L167-L170 WeakPolarHBondContact O-CB 3.1Å; L167-L170 PolarHBondContact O-N 3.15Å; L167-L170 VanDerWaalsContact O-N 3.08Å; P168-L170 VanDerWaalsContact C-N 3.3Å; P168-L170 PolarHBondContact O-N 2.85Å; L170-A172 VanDerWaalsContact C-N 3.29Å; L170-A172 PolarHBondContact O-N 3.35Å; L170-R173 WeakPolarHBondContact O-CB 3.19Å; L170-R173 PolarHBondContact O-N 3.19Å; L170-R173 VanDerWaalsContact O-N 3.1Å; L170-Q174 PolarHBondContact O-N 2.84Å; L170-V222 HydrophobicContact CB-CG2 3.85Å; L170-H225 HydrophobicContact CD1-CB 3.91Å; L170-H225 VanDerWaalsContact CD1-CD2 3.43Å; L170-H225 WeakPolarHBondContact CD1-CD2 3.27Å
171Q97.6Very high96.1Very high90 Ų9057 Ų5742%0.42132%0.318SS..Hα-helixtrans-60.9-38.5172.2-70.4173.6-24.900111.7L167 P168 R173 Q174 F175 V222L167-Q171 WeakPolarHBondContact O-CG 3.36Å; L167-Q171 PolarHBondContact O-N 3.28Å; P168-Q171 PolarHBondContact O-N 3.29Å; Q171-R173 VanDerWaalsContact C-N 3.34Å; Q171-R173 PolarHBondContact O-N 2.93Å; Q171-Q174 WeakPolarHBondContact O-CB 3.38Å; Q171-Q174 PolarHBondContact O-N 3.33Å; Q171-F175 WeakPolarHBondContact O-CB 3.47Å; Q171-F175 PolarHBondContact O-N 2.85Å; Q171-V222 HydrophobicContact CG-CG1 3.85Å; Q171-V222 HydrophobicContact CG-CG2 4.26Å
172A97.3Very high96.1Very high60 Ų6055.5 Ų55.550%0.49631%0.313SS..Hα-helixtrans-62.9-39.517300000112P168 S169 L170 F175 S176P168-A172 PolarHBondContact O-N 2.85Å; S169-A172 PolarHBondContact O-N 3.16Å; L170-A172 VanDerWaalsContact C-N 3.29Å; L170-A172 PolarHBondContact O-N 3.35Å; A172-F175 PolarHBondContact O-N 3.38Å; A172-S176 WeakPolarHBondContact O-CB 3.48Å; A172-S176 PolarHBondContact O-N 3.43Å
173R95.2Very high95.9Very high136 Ų13660.1 Ų60.151%0.51333%0.331SS..Hα-helixtrans-65.6-41.4173.2-67.8178.8-163.3167.75.1112.2S169 L170 Q171 S176 A177S169-R173 WeakPolarHBondContact O-CG 3.17Å; S169-R173 PolarHBondContact O-N 3.05Å; S169-R173 VanDerWaalsContact O-N 3.17Å; L170-R173 WeakPolarHBondContact O-CB 3.19Å; L170-R173 PolarHBondContact O-N 3.19Å; L170-R173 VanDerWaalsContact O-N 3.1Å; Q171-R173 VanDerWaalsContact C-N 3.34Å; Q171-R173 PolarHBondContact O-N 2.93Å; R173-S176 WeakPolarHBondContact O-CB 3.28Å; R173-S176 PolarHBondContact O-N 2.83Å; R173-A177 WeakPolarHBondContact O-CB 3.3Å; R173-A177 PolarHBondContact O-N 2.81Å
174Q95.9Very high95.8Very high53 Ų5361.5 Ų61.525%0.24834%0.343CS..Hα-helixtrans-58.5-47.3174.2-179.7-165.29.700111.1L170 Q171 A177 A178 Q218 S219 V222L170-Q174 PolarHBondContact O-N 2.84Å; Q171-Q174 WeakPolarHBondContact O-CB 3.38Å; Q171-Q174 PolarHBondContact O-N 3.33Å; Q174-A177 PolarHBondContact O-N 2.8Å; Q174-A178 WeakPolarHBondContact O-CB 3.43Å; Q174-A178 PolarHBondContact O-N 3.49Å; Q174-Q218 HydrophobicContact CB-CB 3.94Å; Q174-Q218 HydrophobicContact CG-CB 4.22Å; Q174-S219 PolarHBondContact NE2-OG 3.24Å; Q174-V222 HydrophobicContact CB-CG2 4.19Å
175F96.6Very high95.8Very high143 Ų14361.1 Ų61.163%0.62733%0.326SS*.Hα-helixtrans-63-43.5175.6-179.1-98.2000112.2Q171 A172 A177 A178 T179Q171-F175 WeakPolarHBondContact O-CB 3.47Å; Q171-F175 PolarHBondContact O-N 2.85Å; A172-F175 PolarHBondContact O-N 3.38Å; F175-A177 VanDerWaalsContact C-N 3.3Å; F175-A177 PolarHBondContact O-N 2.94Å; F175-A178 PolarHBondContact O-N 3.32Å; F175-T179 HydrophobicContact CD1-CG2 4.2Å; F175-T179 HydrophobicContact CD2-CG2 4.32Å; F175-T179 HydrophobicContact CE1-CG2 3.74Å; F175-T179 HydrophobicContact CE2-CG2 3.87Å; F175-T179 HydrophobicContact CG-CG2 4.47Å; F175-T179 HydrophobicContact CZ-CG2 3.56Å; F175-T179 WeakPolarHBondContact O-CG2 3.44Å; F175-T179 PolarHBondContact O-N 2.7Å; F175-T179 PolarHBondContact O-OG1 3.35Å
176S96.4Very high95.7Very high13 Ų1355.9 Ų55.99%0.09130%0.304CS..Hα-helixtrans-58.8-39.8174.7176.40000112.1A172 R173 T179 G180 L181 S182A172-S176 WeakPolarHBondContact O-CB 3.48Å; A172-S176 PolarHBondContact O-N 3.43Å; R173-S176 WeakPolarHBondContact O-CB 3.28Å; R173-S176 PolarHBondContact O-N 2.83Å; S176-T179 PolarHBondContact O-OG1 3.45Å; S176-G180 PolarHBondContact O-N 3.02Å; S176-L181 PolarHBondContact O-N 3.5Å; S176-S182 VanDerWaalsContact C-OG 3.26Å; S176-S182 WeakPolarHBondContact CB-OG 3.48Å; S176-S182 PolarHBondContact O-N 2.97Å; S176-S182 PolarHBondContact OG-N 3.4Å; S176-S182 VanDerWaalsContact OG-N 3.09Å; S176-S182 PolarHBondContact OG-OG 2.74Å
177A94.8Very high95.6Very high5 Ų560.9 Ų60.94%0.04133%0.33CS..Hα-helixtrans-69.2-41.8175.200000111.7R173 Q174 F175 T179 G180 S182 Q218R173-A177 WeakPolarHBondContact O-CB 3.3Å; R173-A177 PolarHBondContact O-N 2.81Å; Q174-A177 PolarHBondContact O-N 2.8Å; F175-A177 VanDerWaalsContact C-N 3.3Å; F175-A177 PolarHBondContact O-N 2.94Å; A177-T179 VanDerWaalsContact C-N 3.34Å; A177-T179 PolarHBondContact O-N 2.8Å; A177-G180 PolarHBondContact O-N 3.43Å; A177-S182 PolarHBondContact N-OG 3.19Å; A177-Q218 HydrophobicContact CB-CB 4.49Å; A177-Q218 HydrophobicContact CB-CG 3.8Å
178A93.7Very high95.5Very high65 Ų6567 Ų6754%0.53736%0.362SS..Hα-helixtrans-64.7-36.1-18000000113Q174 F175 G180 P215Q174-A178 WeakPolarHBondContact O-CB 3.43Å; Q174-A178 PolarHBondContact O-N 3.49Å; F175-A178 PolarHBondContact O-N 3.32Å; A178-G180 VanDerWaalsContact C-N 3.34Å; A178-P215 HydrophobicContact CB-CB 3.96Å
179T95.2Very high95.2Very high77 Ų7766.7 Ų66.747%0.47237%0.368SS..Hα-helixtrans-83.4-8.817855.10000113.6F175 S176 A177 L181F175-T179 HydrophobicContact CD1-CG2 4.2Å; F175-T179 HydrophobicContact CD2-CG2 4.32Å; F175-T179 HydrophobicContact CE1-CG2 3.74Å; F175-T179 HydrophobicContact CE2-CG2 3.87Å; F175-T179 HydrophobicContact CG-CG2 4.47Å; F175-T179 HydrophobicContact CZ-CG2 3.56Å; F175-T179 WeakPolarHBondContact O-CG2 3.44Å; F175-T179 PolarHBondContact O-N 2.7Å; F175-T179 PolarHBondContact O-OG1 3.35Å; S176-T179 PolarHBondContact O-OG1 3.45Å; A177-T179 VanDerWaalsContact C-N 3.34Å; A177-T179 PolarHBondContact O-N 2.8Å; T179-L181 VanDerWaalsContact C-N 3.26Å; T179-L181 PolarHBondContact O-N 3.5Å
180G93.9Very high95Very high32 Ų3268 Ų6833%0.3338%0.382SS..THydrogen-bonded Turntrans80.6-0-175.300000114.5S176 A177 A178 S182 R183 L184S176-G180 PolarHBondContact O-N 3.02Å; A177-G180 PolarHBondContact O-N 3.43Å; A178-G180 VanDerWaalsContact C-N 3.34Å; G180-S182 VanDerWaalsContact C-N 3.28Å; G180-S182 PolarHBondContact O-N 3.43Å; G180-R183 WeakPolarHBondContact O-CB 3.46Å; G180-R183 PolarHBondContact O-N 3.09Å; G180-R183 VanDerWaalsContact O-N 3.1Å; G180-L184 PolarHBondContact O-N 2.77Å
181L95.5Very high94.8Very high80 Ų8069.7 Ų69.742%0.41939%0.39SS..Hα-helixtrans-59.2-38.2176.5179.460.7000111.9S176 T179 R183 L184 L185S176-L181 PolarHBondContact O-N 3.5Å; T179-L181 VanDerWaalsContact C-N 3.26Å; T179-L181 PolarHBondContact O-N 3.5Å; L181-R183 PolarHBondContact O-N 2.84Å; L181-L184 PolarHBondContact O-N 3.37Å; L181-L184 VanDerWaalsContact O-N 3.14Å; L181-L185 HydrophobicContact CD1-CD1 4.25Å; L181-L185 HydrophobicContact CD1-CG 4.07Å; L181-L185 HydrophobicContact CD2-CD1 4.4Å; L181-L185 HydrophobicContact CG-CD1 3.86Å; L181-L185 HydrophobicContact CG-CG 4.17Å; L181-L185 WeakPolarHBondContact O-CG 3.25Å; L181-L185 PolarHBondContact O-N 3.3Å
182S95.3Very high94.4Very high4 Ų471 Ų713%0.02840%0.397CS..Hα-helixtrans-56.2-39176.3-64.30000111.8S176 A177 G180 L185 I186 L212S176-S182 VanDerWaalsContact C-OG 3.26Å; S176-S182 WeakPolarHBondContact CB-OG 3.48Å; S176-S182 PolarHBondContact O-N 2.97Å; S176-S182 PolarHBondContact OG-N 3.4Å; S176-S182 VanDerWaalsContact OG-N 3.09Å; S176-S182 PolarHBondContact OG-OG 2.74Å; A177-S182 PolarHBondContact N-OG 3.19Å; G180-S182 VanDerWaalsContact C-N 3.28Å; G180-S182 PolarHBondContact O-N 3.43Å; S182-L185 PolarHBondContact O-N 3.25Å; S182-I186 WeakPolarHBondContact O-CB 3.42Å; S182-I186 WeakPolarHBondContact O-CD1 3.43Å; S182-I186 WeakPolarHBondContact O-CG1 3.48Å; S182-I186 PolarHBondContact O-N 3.14Å; S182-L212 VanDerWaalsContact CB-O 3.32Å; S182-L212 WeakPolarHBondContact CB-O 3.37Å; S182-L212 PolarHBondContact OG-O 2.98Å
183R93.7Very high94Very high100 Ų10069 Ų6938%0.37738%0.378SS..Hα-helixtrans-68.3-41.5179.7-166.7177-176117.8-9.4111.6E7 G180 L181 I186 I187E7-R183 VanDerWaalsContact CD-NH1 3.31Å; E7-R183 IonicContact OE1-CZ 3.38Å; E7-R183 VanDerWaalsContact OE1-CZ 3.31Å; E7-R183 IonicContact OE1-NH1 2.71Å; E7-R183 PolarHBondContact OE1-NH1 3.45Å; E7-R183 IonicContact OE1-NH2 3.48Å; E7-R183 PolarHBondContact OE1-NH2 3.01Å; E7-R183 IonicContact OE2-CZ 3.79Å; E7-R183 IonicContact OE2-NH1 2.7Å; E7-R183 PolarHBondContact OE2-NH1 3.4Å; E7-R183 IonicContact OE2-NH2 2.67Å; G180-R183 WeakPolarHBondContact O-CB 3.46Å; G180-R183 PolarHBondContact O-N 3.09Å; G180-R183 VanDerWaalsContact O-N 3.1Å; L181-R183 PolarHBondContact O-N 2.84Å; R183-I186 PolarHBondContact O-N 3.31Å; R183-I187 HydrophobicContact CG-CD1 4.35Å; R183-I187 VanDerWaalsContact O-CG1 3.31Å; R183-I187 WeakPolarHBondContact O-CG1 3.38Å; R183-I187 PolarHBondContact O-N 2.99Å
184L94.9Very high93.5Very high104 Ų10466.2 Ų66.255%0.54537%0.374SS..Hα-helixtrans-62.6-46.1174.9-65.8175.5000111.1G180 L181 I186 I187 L188G180-L184 PolarHBondContact O-N 2.77Å; L181-L184 PolarHBondContact O-N 3.37Å; L181-L184 VanDerWaalsContact O-N 3.14Å; L184-I186 VanDerWaalsContact C-N 3.3Å; L184-I186 PolarHBondContact O-N 3.01Å; L184-I187 PolarHBondContact O-N 3.44Å; L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 3.3Å
185L95.9Very high93Very high49 Ų4964 Ų6426%0.25736%0.363SS..Hα-helixtrans-64-34.1178.5-67.7174000112.5L181 S182 G189 A190 I191L181-L185 HydrophobicContact CD1-CD1 4.25Å; L181-L185 HydrophobicContact CD1-CG 4.07Å; L181-L185 HydrophobicContact CD2-CD1 4.4Å; L181-L185 HydrophobicContact CG-CD1 3.86Å; L181-L185 HydrophobicContact CG-CG 4.17Å; L181-L185 WeakPolarHBondContact O-CG 3.25Å; L181-L185 PolarHBondContact O-N 3.3Å; S182-L185 PolarHBondContact O-N 3.25Å; L185-G189 PolarHBondContact O-N 3.3Å; L185-G189 VanDerWaalsContact O-N 3.16Å; L185-A190 HydrophobicContact CB-CB 4.28Å; L185-A190 HydrophobicContact CD2-CB 3.94Å; L185-A190 PolarHBondContact O-N 3.16Å; L185-I191 HydrophobicContact CB-CB 4.22Å; L185-I191 HydrophobicContact CB-CD1 3.71Å; L185-I191 HydrophobicContact CB-CG1 3.8Å; L185-I191 HydrophobicContact CD1-CD1 3.62Å; L185-I191 HydrophobicContact CD1-CG1 4.2Å; L185-I191 HydrophobicContact CG-CD1 4.33Å; L185-I191 PolarHBondContact O-N 2.53Å
186I94.2Very high92Very high21 Ų2162.3 Ų62.311%0.10836%0.356CS..Hα-helixtrans-66.1-44.1172.7-71.1162.1000111.3S182 R183 L184 L188 G189 I191 K209 L212 S213S182-I186 WeakPolarHBondContact O-CB 3.42Å; S182-I186 WeakPolarHBondContact O-CD1 3.43Å; S182-I186 WeakPolarHBondContact O-CG1 3.48Å; S182-I186 PolarHBondContact O-N 3.14Å; R183-I186 PolarHBondContact O-N 3.31Å; L184-I186 VanDerWaalsContact C-N 3.3Å; L184-I186 PolarHBondContact O-N 3.01Å; I186-L188 VanDerWaalsContact C-N 3.28Å; I186-L188 PolarHBondContact O-N 3.13Å; I186-G189 PolarHBondContact O-N 3.23Å; I186-G189 VanDerWaalsContact O-N 3.12Å; I186-I191 WeakPolarHBondContact CA-O 3.16Å; I186-I191 HydrophobicContact CG1-CB 3.97Å; I186-I191 HydrophobicContact CG1-CG2 3.85Å; I186-K209 HydrophobicContact CD1-CB 4.42Å; I186-K209 HydrophobicContact CG2-CB 4.3Å; I186-K209 HydrophobicContact CG2-CD 3.88Å; I186-K209 HydrophobicContact CG2-CG 3.83Å; I186-L212 HydrophobicContact CD1-CB 3.85Å; I186-L212 HydrophobicContact CD1-CD1 4.36Å; I186-S213 WeakPolarHBondContact CD1-OG 3.27Å
187I93.4Very high90.7Very high128 Ų12864.2 Ų64.266%0.65638%0.377SS*.Hα-helixtrans-63-38.4178-69.4164.9000110.8R183 L184 G189R183-I187 HydrophobicContact CG-CD1 4.35Å; R183-I187 VanDerWaalsContact O-CG1 3.31Å; R183-I187 WeakPolarHBondContact O-CG1 3.38Å; R183-I187 PolarHBondContact O-N 2.99Å; L184-I187 PolarHBondContact O-N 3.44Å; I187-G189 PolarHBondContact O-N 3.2Å
188L94.8Very high89.1Confident138 Ų13873.5 Ų73.572%0.72342%0.42SS*.THydrogen-bonded Turntrans-77.2-4.7177.2-65.3172.8000113.7L184 I186 A190L184-L188 VanDerWaalsContact O-CG 3.3Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 3.3Å; I186-L188 VanDerWaalsContact C-N 3.28Å; I186-L188 PolarHBondContact O-N 3.13Å; L188-A190 VanDerWaalsContact C-N 3.26Å; L188-A190 PolarHBondContact O-N 2.6Å
189G91.9Very high88.3Confident46 Ų4677.2 Ų77.247%0.47443%0.43SS..THydrogen-bonded Turntrans73.211-177.200000115L185 I186 I187L185-G189 PolarHBondContact O-N 3.3Å; L185-G189 VanDerWaalsContact O-N 3.16Å; I186-G189 PolarHBondContact O-N 3.23Å; I186-G189 VanDerWaalsContact O-N 3.12Å; I187-G189 PolarHBondContact O-N 3.2Å
190A92.8Very high87.9Confident72 Ų7274.2 Ų74.260%0.59541%0.412SS*.SBendtrans-80.7-25.8178.300000113.1L185 L188L185-A190 HydrophobicContact CB-CB 4.28Å; L185-A190 HydrophobicContact CD2-CB 3.94Å; L185-A190 PolarHBondContact O-N 3.16Å; L188-A190 VanDerWaalsContact C-N 3.26Å; L188-A190 PolarHBondContact O-N 2.6Å
191I90.9Very high87.7Confident47 Ų4775.6 Ų75.624%0.24142%0.417CS..SBendtrans-117.5132.2168.2-68.9176.2000107.7L185 I186 L212L185-I191 HydrophobicContact CB-CB 4.22Å; L185-I191 HydrophobicContact CB-CD1 3.71Å; L185-I191 HydrophobicContact CB-CG1 3.8Å; L185-I191 HydrophobicContact CD1-CD1 3.62Å; L185-I191 HydrophobicContact CD1-CG1 4.2Å; L185-I191 HydrophobicContact CG-CD1 4.33Å; L185-I191 PolarHBondContact O-N 2.53Å; I186-I191 WeakPolarHBondContact CA-O 3.16Å; I186-I191 HydrophobicContact CG1-CB 3.97Å; I186-I191 HydrophobicContact CG1-CG2 3.85Å; I191-L212 HydrophobicContact CG2-CD1 3.95Å
192E89.4Confident87.4Confident118 Ų11878.5 Ų78.555%0.55143%0.428SS*.  trans-122.5148.3-178-58.6-177.597.500111.5K196E192-K196 VanDerWaalsContact CB-CE 3.44Å; E192-K196 VanDerWaalsContact CB-NZ 3.29Å; E192-K196 IonicContact OE1-NZ 3.82Å; E192-K196 PolarHBondContact OE1-NZ 3.41Å; E192-K196 IonicContact OE2-NZ 3.65Å; E192-K196 PolarHBondContact OE2-NZ 2.79Å
193P88.9Confident87.2Confident17 Ų1783.7 Ų83.711%0.1145%0.452CS..  trans-62.4151.2175.326.2-33.2000110.9K196 I205 Q208P193-K196 WeakPolarHBondContact O-CE 3.15Å; P193-K196 WeakPolarHBondContact O-CG 3.32Å; P193-I205 HydrophobicContact CG-CG2 4.05Å; P193-Q208 HydrophobicContact CB-CB 3.79Å
194L86.3Confident87.1Confident79 Ų7979.1 Ų79.141%0.41444%0.435SS..SBendtrans-73.7-42-174.7-178.378.2000112.8M47 Y299M47-L194 HydrophobicContact CE-CD2 3.11Å; L194-Y299 HydrophobicContact CD1-CE2 3.76Å; L194-Y299 WeakPolarHBondContact CD1-OH 3.43Å; L194-Y299 HydrophobicContact CD2-CD1 4.22Å; L194-Y299 HydrophobicContact CD2-CD2 4.35Å; L194-Y299 HydrophobicContact CD2-CE1 3.7Å; L194-Y299 HydrophobicContact CD2-CE2 3.79Å; L194-Y299 VanDerWaalsContact CD2-CZ 3.45Å; L194-Y299 HydrophobicContact CG-CD2 4.25Å; L194-Y299 HydrophobicContact CG-CE1 4.48Å; L194-Y299 HydrophobicContact CG-CE2 3.65Å
195L83.8Confident87Confident5 Ų576.2 Ų76.23%0.02642%0.419CS..  trans-85.9121.4176-62.2165.9000107.5D50 I53 V200 V204 Q208 Y299D50-L195 HydrophobicContact CB-CD1 4.43Å; D50-L195 WeakPolarHBondContact O-CD1 3.32Å; I53-L195 HydrophobicContact CG2-CD1 4.14Å; L195-V200 HydrophobicContact CB-CG1 4.11Å; L195-V200 HydrophobicContact CB-CG2 4.23Å; L195-V204 HydrophobicContact CD1-CG1 3.74Å; L195-Q208 VanDerWaalsContact CB-OE1 3.23Å; L195-Q208 PolarHBondContact O-OE1 3.16Å; L195-Y299 HydrophobicContact CD2-CD2 4.39Å; L195-Y299 HydrophobicContact CD2-CG 4Å
196K76.1Confident86.9Confident109 Ų10977.9 Ų77.947%0.47443%0.426SS..  trans-140.7156.4177.2-59.5-172.1-169.9178.70110.1E192 P193E192-K196 VanDerWaalsContact CB-CE 3.44Å; E192-K196 VanDerWaalsContact CB-NZ 3.29Å; E192-K196 IonicContact OE1-NZ 3.82Å; E192-K196 PolarHBondContact OE1-NZ 3.41Å; E192-K196 IonicContact OE2-NZ 3.65Å; E192-K196 PolarHBondContact OE2-NZ 2.79Å; P193-K196 WeakPolarHBondContact O-CE 3.15Å; P193-K196 WeakPolarHBondContact O-CG 3.32Å
197G70.3Confident86.9Confident52 Ų5277.8 Ų77.854%0.53642%0.424SS..SBendtrans125.9170.4175.900000112N199 V200G197-N199 PolarHBondContact O-N 2.78Å; G197-N199 VanDerWaalsContact O-N 3.15Å; G197-V200 PolarHBondContact O-N 3.46Å
198E61.2Low86.9Confident201 Ų20172.4 Ų72.494%0.93940%0.396SS*.THydrogen-bonded Turntrans-63.6-21.2-173.1-62.7-178.8163.100113.7
199N76.4Confident86.9Confident142 Ų14269.9 Ų69.976%0.75938%0.38SS*.THydrogen-bonded Turntrans-96.510.6-176.4-69.2-14.9000114.2H54 G197H54-N199 PolarHBondContact CE1-O 3.47Å; G197-N199 PolarHBondContact O-N 2.78Å; G197-N199 VanDerWaalsContact O-N 3.15Å
200V85.7Confident87.1Confident15 Ų1568.9 Ų68.99%0.09136%0.362CS..SBendtrans-109.3121.8178.8-175.50000109L195 G197 V204 I205L195-V200 HydrophobicContact CB-CG1 4.11Å; L195-V200 HydrophobicContact CB-CG2 4.23Å; G197-V200 PolarHBondContact O-N 3.46Å; V200-V204 HydrophobicContact CG1-CB 3.67Å; V200-V204 HydrophobicContact CG1-CG1 3.58Å; V200-V204 HydrophobicContact CG1-CG2 4.42Å; V200-I205 HydrophobicContact CG1-CG1 3.93Å
201S89.8Confident87.2Confident61 Ų6165.8 Ų65.843%0.42734%0.335SS..  trans-65.5152.3-179.571.60000112E203 V204 I205S201-E203 PolarHBondContact O-N 3.43Å; S201-V204 WeakPolarHBondContact O-CB 3.32Å; S201-V204 PolarHBondContact O-N 2.95Å; S201-V204 VanDerWaalsContact OG-CG2 3.25Å; S201-V204 WeakPolarHBondContact OG-CG2 3.37Å; S201-V204 PolarHBondContact OG-N 3.02Å; S201-I205 PolarHBondContact O-N 2.64Å; S201-I205 VanDerWaalsContact O-N 3.14Å
202E90.1Very high87.4Confident140 Ų14065.9 Ų65.965%0.65434%0.336SS*.Hα-helixtrans-58.1-36176.9-168.2-179.6170.200111.8V204 I205 Q206E202-V204 PolarHBondContact O-N 2.75Å; E202-I205 WeakPolarHBondContact O-CB 3.46Å; E202-I205 PolarHBondContact O-N 3.08Å; E202-Q206 HydrophobicContact CG-CG 4.43Å; E202-Q206 WeakPolarHBondContact O-CG 3.37Å; E202-Q206 PolarHBondContact O-N 3.14Å; E202-Q206 PolarHBondContact OE1-NE2 3.41Å
203E90.5Very high87.6Confident114 Ų11460.7 Ų60.753%0.53331%0.313SS..Hα-helixtrans-59.4-43174.7-66-176168.400111.9S201 Q206 R207S201-E203 PolarHBondContact O-N 3.43Å; E203-Q206 PolarHBondContact O-N 3.04Å; E203-R207 VanDerWaalsContact O-CG 3.27Å; E203-R207 WeakPolarHBondContact O-CG 3.35Å; E203-R207 PolarHBondContact O-N 3.45Å
204V92Very high87.9Confident4 Ų460.8 Ų60.82%0.02431%0.312CS..Hα-helixtrans-62.7-44.2175.21770000110.4I53 L195 V200 S201 E202 Q206 R207 Q208I53-V204 HydrophobicContact CG1-CG2 4.38Å; L195-V204 HydrophobicContact CD1-CG1 3.74Å; V200-V204 HydrophobicContact CG1-CB 3.67Å; V200-V204 HydrophobicContact CG1-CG1 3.58Å; V200-V204 HydrophobicContact CG1-CG2 4.42Å; S201-V204 WeakPolarHBondContact O-CB 3.32Å; S201-V204 PolarHBondContact O-N 2.95Å; S201-V204 VanDerWaalsContact OG-CG2 3.25Å; S201-V204 WeakPolarHBondContact OG-CG2 3.37Å; S201-V204 PolarHBondContact OG-N 3.02Å; E202-V204 PolarHBondContact O-N 2.75Å; V204-Q206 VanDerWaalsContact C-N 3.32Å; V204-Q206 PolarHBondContact O-N 3.06Å; V204-R207 WeakPolarHBondContact O-CB 3.32Å; V204-R207 PolarHBondContact O-N 3.19Å; V204-Q208 WeakPolarHBondContact O-CG 3.24Å; V204-Q208 PolarHBondContact O-N 2.81Å
205I92.9Very high88.2Confident42 Ų4258.5 Ų58.522%0.21530%0.302CS..Hα-helixtrans-60.8-43.1178.4-65.5174.2000110.7P193 V200 S201 E202 Q208 K209P193-I205 HydrophobicContact CG-CG2 4.05Å; V200-I205 HydrophobicContact CG1-CG1 3.93Å; S201-I205 PolarHBondContact O-N 2.64Å; S201-I205 VanDerWaalsContact O-N 3.14Å; E202-I205 WeakPolarHBondContact O-CB 3.46Å; E202-I205 PolarHBondContact O-N 3.08Å; I205-Q208 PolarHBondContact O-N 2.62Å; I205-K209 HydrophobicContact CG2-CD 4.33Å; I205-K209 WeakPolarHBondContact O-CG 3.44Å; I205-K209 PolarHBondContact O-N 3.35Å
206Q93.3Very high88.6Confident84 Ų8460 Ų6039%0.39332%0.315SS..Hα-helixtrans-64.4-41.9177-71.1178.85.800111.8L11 E202 E203 V204 Q208 K209 Y210L11-Q206 HydrophobicContact CD2-CB 3.75Å; E202-Q206 HydrophobicContact CG-CG 4.43Å; E202-Q206 WeakPolarHBondContact O-CG 3.37Å; E202-Q206 PolarHBondContact O-N 3.14Å; E202-Q206 PolarHBondContact OE1-NE2 3.41Å; E203-Q206 PolarHBondContact O-N 3.04Å; V204-Q206 VanDerWaalsContact C-N 3.32Å; V204-Q206 PolarHBondContact O-N 3.06Å; Q206-Q208 VanDerWaalsContact C-N 3.33Å; Q206-Q208 PolarHBondContact O-N 3.16Å; Q206-K209 PolarHBondContact O-N 2.99Å; Q206-Y210 WeakPolarHBondContact O-CB 2.89Å; Q206-Y210 PolarHBondContact O-N 2.82Å
207R94.2Very high89.5Confident19 Ų1955.4 Ų55.47%0.07230%0.295CS..Hα-helixtrans-57.7-44.9173.2-71.8-172.6-71155.13.3111.8L11 D50 F75 E203 V204 K209 Y210 L211L11-R207 HydrophobicContact CB-CG 4.06Å; L11-R207 HydrophobicContact CD2-CG 4.3Å; L11-R207 WeakPolarHBondContact O-CD 3.46Å; D50-R207 IonicContact OD1-CZ 2.7Å; D50-R207 IonicContact OD1-NE 3.26Å; D50-R207 IonicContact OD1-NH1 3.6Å; D50-R207 PolarHBondContact OD1-NH1 3.44Å; D50-R207 IonicContact OD1-NH2 2.64Å; D50-R207 PolarHBondContact OD1-NH2 3Å; D50-R207 IonicContact OD2-CZ 3.09Å; D50-R207 IonicContact OD2-NE 3.42Å; D50-R207 IonicContact OD2-NH1 2.93Å; F75-R207 HydrophobicContact CE2-CG 4.28Å; F75-R207 HydrophobicContact CZ-CB 4.44Å; F75-R207 HydrophobicContact CZ-CG 3.87Å; E203-R207 VanDerWaalsContact O-CG 3.27Å; E203-R207 WeakPolarHBondContact O-CG 3.35Å; E203-R207 PolarHBondContact O-N 3.45Å; V204-R207 WeakPolarHBondContact O-CB 3.32Å; V204-R207 PolarHBondContact O-N 3.19Å; R207-K209 PolarHBondContact O-N 2.94Å; R207-Y210 WeakPolarHBondContact O-CB 3.34Å; R207-Y210 PolarHBondContact O-N 3.4Å; R207-L211 VanDerWaalsContact O-CG 3.31Å; R207-L211 WeakPolarHBondContact O-CG 3.3Å; R207-L211 PolarHBondContact O-N 3.27Å
208Q94.1Very high90.7Very high15 Ų1553.8 Ų53.87%0.0727%0.274CS..Hα-helixtrans-64.3-43.2177.8-67.9-163.7-49.700113.3P193 L195 V204 I205 Q206 Y210 L211 L212P193-Q208 HydrophobicContact CB-CB 3.79Å; L195-Q208 VanDerWaalsContact CB-OE1 3.23Å; L195-Q208 PolarHBondContact O-OE1 3.16Å; V204-Q208 WeakPolarHBondContact O-CG 3.24Å; V204-Q208 PolarHBondContact O-N 2.81Å; I205-Q208 PolarHBondContact O-N 2.62Å; Q206-Q208 VanDerWaalsContact C-N 3.33Å; Q206-Q208 PolarHBondContact O-N 3.16Å; Q208-Y210 VanDerWaalsContact C-N 3.27Å; Q208-Y210 PolarHBondContact O-N 2.87Å; Q208-L211 PolarHBondContact O-N 3.3Å; Q208-L212 WeakPolarHBondContact O-CG 3.43Å; Q208-L212 PolarHBondContact O-N 3.09Å
209K94.7Very high92.3Very high86 Ų8645 Ų4537%0.37424%0.235SC..Hα-helixtrans-60.4-39.5174.4-70.1175178.9178.90111.6I186 I205 Q206 R207 S213I186-K209 HydrophobicContact CD1-CB 4.42Å; I186-K209 HydrophobicContact CG2-CB 4.3Å; I186-K209 HydrophobicContact CG2-CD 3.88Å; I186-K209 HydrophobicContact CG2-CG 3.83Å; I205-K209 HydrophobicContact CG2-CD 4.33Å; I205-K209 WeakPolarHBondContact O-CG 3.44Å; I205-K209 PolarHBondContact O-N 3.35Å; Q206-K209 PolarHBondContact O-N 2.99Å; R207-K209 PolarHBondContact O-N 2.94Å; K209-S213 PolarHBondContact O-N 3.48Å; K209-S213 PolarHBondContact O-OG 2.92Å
210Y95.1Very high93.2Very high25 Ų2538.3 Ų38.310%0.09820%0.199CC..Hα-helixtrans-61.5-48.9174.2166.2-103.8000111.7L4 E7 L11 F75 Q206 R207 Q208 L212 S213 N214L4-Y210 HydrophobicContact CB-CE2 4.24Å; L4-Y210 HydrophobicContact CD2-CD2 4.04Å; L4-Y210 HydrophobicContact CD2-CE2 4.04Å; L4-Y210 VanDerWaalsContact O-CE2 3.28Å; L4-Y210 WeakPolarHBondContact O-CE2 3.23Å; E7-Y210 HydrophobicContact CB-CD2 4.1Å; E7-Y210 HydrophobicContact CB-CE2 4.28Å; L11-Y210 VanDerWaalsContact CD1-CB 3.47Å; L11-Y210 HydrophobicContact CD1-CD1 4.35Å; L11-Y210 HydrophobicContact CD1-CD2 4.24Å; L11-Y210 HydrophobicContact CD1-CG 3.78Å; F75-Y210 HydrophobicContact CE1-CD1 4.49Å; F75-Y210 HydrophobicContact CE1-CE1 4.19Å; Q206-Y210 WeakPolarHBondContact O-CB 2.89Å; Q206-Y210 PolarHBondContact O-N 2.82Å; R207-Y210 WeakPolarHBondContact O-CB 3.34Å; R207-Y210 PolarHBondContact O-N 3.4Å; Q208-Y210 VanDerWaalsContact C-N 3.27Å; Q208-Y210 PolarHBondContact O-N 2.87Å; Y210-L212 PolarHBondContact O-N 3.33Å; Y210-S213 CarbonylContact O-C 3.4Å; Y210-S213 WeakPolarHBondContact O-CA 3.37Å; Y210-S213 PolarHBondContact O-N 3.49Å; Y210-N214 WeakPolarHBondContact O-CB 3.39Å; Y210-N214 PolarHBondContact O-N 3.4Å; Y210-N214 PolarHBondContact OH-ND2 3.06Å; Y210-N214 VanDerWaalsContact OH-ND2 3.16Å
211L94.9Very high93.7Very high7 Ų737.9 Ų37.94%0.03720%0.197CC..Hα-helixtrans-64.6-36.9180-63.9177.4000112.9S48 G74 R207 Q208 S213 N214 H217 Q218S48-L211 WeakPolarHBondContact OG-CD1 3.3Å; G74-L211 WeakPolarHBondContact O-CD2 3.32Å; R207-L211 VanDerWaalsContact O-CG 3.31Å; R207-L211 WeakPolarHBondContact O-CG 3.3Å; R207-L211 PolarHBondContact O-N 3.27Å; Q208-L211 PolarHBondContact O-N 3.3Å; L211-S213 PolarHBondContact O-N 3.4Å; L211-N214 PolarHBondContact O-N 2.73Å; L211-H217 HydrophobicContact CD2-CB 4.4Å; L211-Q218 PolarHBondContact O-NE2 3.17Å
212L94.8Very high94Very high49 Ų4935.4 Ų35.426%0.25718%0.179SC..Hα-helixtrans-63.7-24.2172-71.7170.6000113.1S182 I186 I191 Q208 Y210S182-L212 VanDerWaalsContact CB-O 3.32Å; S182-L212 WeakPolarHBondContact CB-O 3.37Å; S182-L212 PolarHBondContact OG-O 2.98Å; I186-L212 HydrophobicContact CD1-CB 3.85Å; I186-L212 HydrophobicContact CD1-CD1 4.36Å; I191-L212 HydrophobicContact CG2-CD1 3.95Å; Q208-L212 WeakPolarHBondContact O-CG 3.43Å; Q208-L212 PolarHBondContact O-N 3.09Å; Y210-L212 PolarHBondContact O-N 3.33Å
213S95.2Very high94.3Very high9 Ų930.3 Ų30.36%0.06316%0.156CC..Hα-helixtrans-101.1-2.8179.2-54.20000113.4I186 K209 Y210 L211 P215I186-S213 WeakPolarHBondContact CD1-OG 3.27Å; K209-S213 PolarHBondContact O-N 3.48Å; K209-S213 PolarHBondContact O-OG 2.92Å; Y210-S213 CarbonylContact O-C 3.4Å; Y210-S213 WeakPolarHBondContact O-CA 3.37Å; Y210-S213 PolarHBondContact O-N 3.49Å; L211-S213 PolarHBondContact O-N 3.4Å; S213-P215 WeakPolarHBondContact O-CD 3.33Å
214N94.6Very high94.6Very high19 Ų1925 Ų2510%0.10213%0.131CC..  trans-95.4109-174.8-178.1-15.1000110.7Y210 L211 A216 H217 Q218Y210-N214 WeakPolarHBondContact O-CB 3.39Å; Y210-N214 PolarHBondContact O-N 3.4Å; Y210-N214 PolarHBondContact OH-ND2 3.06Å; Y210-N214 VanDerWaalsContact OH-ND2 3.16Å; L211-N214 PolarHBondContact O-N 2.73Å; N214-A216 VanDerWaalsContact C-N 3.29Å; N214-A216 PolarHBondContact O-N 3Å; N214-A216 WeakPolarHBondContact OD1-CB 3.38Å; N214-A216 PolarHBondContact OD1-N 2.97Å; N214-H217 HydrophobicContact CB-CB 3.99Å; N214-H217 PolarHBondContact O-N 3.49Å; N214-H217 PolarHBondContact OD1-N 3.19Å; N214-Q218 WeakPolarHBondContact O-CG 3.38Å; N214-Q218 PolarHBondContact O-N 2.72Å
215P93.3Very high94.8Very high31 Ų3125.2 Ų25.220%0.20113%0.132CC..Hα-helixtrans-64.6-29.9-178.225-33.7000113.6A178 S213 Q218 S219A178-P215 HydrophobicContact CB-CB 3.96Å; S213-P215 WeakPolarHBondContact O-CD 3.33Å; P215-Q218 PolarHBondContact O-N 3.23Å; P215-S219 VanDerWaalsContact O-CB 3.32Å; P215-S219 WeakPolarHBondContact O-CB 3.47Å; P215-S219 PolarHBondContact O-N 3.29Å; P215-S219 PolarHBondContact O-OG 2.68Å
216A91.3Very high95Very high36 Ų3629.3 Ų29.330%0.29815%0.146SC..Hα-helixtrans-67.5-43.2177.900000111R78 N214 S219 S220R78-A216 HydrophobicContact CB-CB 4.36Å; N214-A216 VanDerWaalsContact C-N 3.29Å; N214-A216 PolarHBondContact O-N 3Å; N214-A216 WeakPolarHBondContact OD1-CB 3.38Å; N214-A216 PolarHBondContact OD1-N 2.97Å; A216-S219 PolarHBondContact O-N 3.24Å; A216-S220 PolarHBondContact O-N 2.79Å; A216-S220 VanDerWaalsContact O-N 3.09Å; A216-S220 PolarHBondContact O-OG 2.82Å
217H94.9Very high95.1Very high13 Ų1327.5 Ų27.56%0.0614%0.137CC..Hα-helixtrans-59.7-51173.3177.289.6000111.5G72 G74 L211 N214 S219 S220 A221G72-H217 WeakPolarHBondContact O-CA 3.07Å; G74-H217 PolarHBondContact N-ND1 3.31Å; L211-H217 HydrophobicContact CD2-CB 4.4Å; N214-H217 HydrophobicContact CB-CB 3.99Å; N214-H217 PolarHBondContact O-N 3.49Å; N214-H217 PolarHBondContact OD1-N 3.19Å; H217-S219 VanDerWaalsContact C-N 3.26Å; H217-S219 PolarHBondContact O-N 3.14Å; H217-S220 PolarHBondContact O-N 3.29Å; H217-S220 VanDerWaalsContact O-N 3.16Å; H217-A221 PolarHBondContact O-N 3.46Å
218Q95.9Very high95.2Very high17 Ų1726.6 Ų26.68%0.07913%0.133CC..Hα-helixtrans-62.8-34.6179.7-61.9-59.6-40.300112.2Q174 A177 L211 N214 P215 A221 V222Q174-Q218 HydrophobicContact CB-CB 3.94Å; Q174-Q218 HydrophobicContact CG-CB 4.22Å; A177-Q218 HydrophobicContact CB-CB 4.49Å; A177-Q218 HydrophobicContact CB-CG 3.8Å; L211-Q218 PolarHBondContact O-NE2 3.17Å; N214-Q218 WeakPolarHBondContact O-CG 3.38Å; N214-Q218 PolarHBondContact O-N 2.72Å; P215-Q218 PolarHBondContact O-N 3.23Å; Q218-A221 PolarHBondContact O-N 3.3Å; Q218-V222 WeakPolarHBondContact O-CG2 3.29Å; Q218-V222 PolarHBondContact O-N 3.31Å
219S94.8Very high95.3Very high17 Ų1728.9 Ų28.912%0.11915%0.146CC..Hα-helixtrans-64.2-43.4175.4-56.10000111.3R78 Q174 P215 A216 H217 A221 V222 D223R78-S219 VanDerWaalsContact NH1-CB 3.34Å; R78-S219 PolarHBondContact NH1-O 2.95Å; Q174-S219 PolarHBondContact NE2-OG 3.24Å; P215-S219 VanDerWaalsContact O-CB 3.32Å; P215-S219 WeakPolarHBondContact O-CB 3.47Å; P215-S219 PolarHBondContact O-N 3.29Å; P215-S219 PolarHBondContact O-OG 2.68Å; A216-S219 PolarHBondContact O-N 3.24Å; H217-S219 VanDerWaalsContact C-N 3.26Å; H217-S219 PolarHBondContact O-N 3.14Å; S219-A221 VanDerWaalsContact C-N 3.31Å; S219-A221 PolarHBondContact O-N 3.47Å; S219-V222 WeakPolarHBondContact O-CB 3.46Å; S219-V222 PolarHBondContact O-N 2.82Å; S219-D223 VanDerWaalsContact O-CG 3.28Å; S219-D223 PolarHBondContact O-N 3.27Å
220S94.8Very high95.4Very high2 Ų229.1 Ų29.11%0.01415%0.149CC..Hα-helixtrans-71-33.4-179-46.50000111.1G72 R78 A216 H217 D223 E224G72-S220 VanDerWaalsContact CA-OG 3.27Å; G72-S220 WeakPolarHBondContact CA-OG 3.48Å; G72-S220 VanDerWaalsContact O-CB 3.26Å; G72-S220 WeakPolarHBondContact O-CB 3.49Å; G72-S220 PolarHBondContact O-OG 2.88Å; R78-S220 PolarHBondContact NH1-OG 3.27Å; A216-S220 PolarHBondContact O-N 2.79Å; A216-S220 VanDerWaalsContact O-N 3.09Å; A216-S220 PolarHBondContact O-OG 2.82Å; H217-S220 PolarHBondContact O-N 3.29Å; H217-S220 VanDerWaalsContact O-N 3.16Å; S220-D223 PolarHBondContact O-N 3.34Å; S220-E224 PolarHBondContact O-N 3.02Å
221A96.1Very high95.4Very high6 Ų628 Ų285%0.0514%0.144CC..Hα-helixtrans-61.2-43.4170.100000111.6L73 H217 Q218 S219 H225L73-A221 HydrophobicContact CD2-CB 4.12Å; H217-A221 PolarHBondContact O-N 3.46Å; Q218-A221 PolarHBondContact O-N 3.3Å; S219-A221 VanDerWaalsContact C-N 3.31Å; S219-A221 PolarHBondContact O-N 3.47Å; A221-H225 PolarHBondContact O-N 3.1Å; A221-H225 PolarHBondContact O-ND1 2.88Å
222V96.9Very high95.4Very high8 Ų827.8 Ų27.85%0.04814%0.143CC..Hα-helixtrans-61.3-45.2174.4168.60000111.1L167 L170 Q171 Q174 Q218 S219 E224 H225 Y226L167-V222 HydrophobicContact CD1-CG1 3.96Å; L170-V222 HydrophobicContact CB-CG2 3.85Å; Q171-V222 HydrophobicContact CG-CG1 3.85Å; Q171-V222 HydrophobicContact CG-CG2 4.26Å; Q174-V222 HydrophobicContact CB-CG2 4.19Å; Q218-V222 WeakPolarHBondContact O-CG2 3.29Å; Q218-V222 PolarHBondContact O-N 3.31Å; S219-V222 WeakPolarHBondContact O-CB 3.46Å; S219-V222 PolarHBondContact O-N 2.82Å; V222-E224 PolarHBondContact O-N 3.27Å; V222-H225 PolarHBondContact O-N 3.12Å; V222-Y226 WeakPolarHBondContact O-CB 3.42Å; V222-Y226 PolarHBondContact O-N 3.24Å
223D95.3Very high95.4Very high33 Ų3327.7 Ų27.718%0.17615%0.15CC..Hα-helixtrans-62.6-43.6-179.4-62.5-29.9000112.2R78 S94 S219 S220 H225 Y226 F227R78-D223 IonicContact CZ-OD2 3.66Å; R78-D223 IonicContact NH1-OD2 3.27Å; R78-D223 PolarHBondContact NH1-OD2 2.98Å; R78-D223 IonicContact NH2-OD2 3.46Å; R78-D223 PolarHBondContact NH2-OD2 3.21Å; S94-D223 WeakPolarHBondContact OG-CB 3.41Å; S219-D223 VanDerWaalsContact O-CG 3.28Å; S219-D223 PolarHBondContact O-N 3.27Å; S220-D223 PolarHBondContact O-N 3.34Å; D223-H225 VanDerWaalsContact C-N 3.27Å; D223-H225 PolarHBondContact O-N 3.44Å; D223-Y226 PolarHBondContact O-N 3.45Å; D223-Y226 VanDerWaalsContact O-N 3.15Å; D223-F227 HydrophobicContact CB-CD2 4.41Å; D223-F227 VanDerWaalsContact O-CD2 3.28Å; D223-F227 WeakPolarHBondContact O-CD2 3.21Å; D223-F227 PolarHBondContact O-N 3.04Å
224E96.9Very high95.4Very high2 Ų229.2 Ų29.21%0.00916%0.156CC..Hα-helixtrans-60-37.6175.8-76.8-173.6177.600112.3T45 G46 R70 L73 M99 L123 S220 V222 M228T45-E224 HydrophobicContact CG2-CB 3.99Å; G46-E224 WeakPolarHBondContact CA-OE2 3.25Å; G46-E224 PolarHBondContact N-OE2 2.85Å; R70-E224 IonicContact CZ-OE1 2.9Å; R70-E224 IonicContact CZ-OE2 3.31Å; R70-E224 IonicContact NE-OE1 3.79Å; R70-E224 PolarHBondContact NE-OE1 3.31Å; R70-E224 IonicContact NE-OE2 2.98Å; R70-E224 IonicContact NH2-OE1 3.99Å; R70-E224 PolarHBondContact NH2-OE1 3.46Å; R70-E224 IonicContact NH2-OE2 2.74Å; R70-E224 PolarHBondContact NH2-OE2 3.18Å; L73-E224 WeakPolarHBondContact CD1-OE1 3.43Å; L73-E224 WeakPolarHBondContact CD1-OE2 3.33Å; M99-E224 HydrophobicContact SD-CG 4.24Å; L123-E224 HydrophobicContact CD2-CB 3.89Å; L123-E224 HydrophobicContact CD2-CG 3.95Å; S220-E224 PolarHBondContact O-N 3.02Å; V222-E224 PolarHBondContact O-N 3.27Å; E224-M228 PolarHBondContact O-N 3.33Å
225H97.4Very high95.4Very high10 Ų1028.3 Ų28.35%0.04615%0.151CC..Hα-helixtrans-72.8-36.5175.3-71.578.5000112T45 W162 L167 L170 A221 V222 D223 M228T45-H225 WeakPolarHBondContact CG2-CE1 3.28Å; T45-H225 WeakPolarHBondContact CG2-ND1 3.44Å; W162-H225 AromaticContact CH2-CD2 3.9Å; W162-H225 HydrophobicContact CZ2-CB 4.16Å; W162-H225 AromaticContact CZ2-CD2 3.64Å; W162-H225 PolarHBondContact NE1-O 3.3Å; L167-H225 HydrophobicContact CD1-CB 4.03Å; L170-H225 HydrophobicContact CD1-CB 3.91Å; L170-H225 VanDerWaalsContact CD1-CD2 3.43Å; L170-H225 WeakPolarHBondContact CD1-CD2 3.27Å; A221-H225 PolarHBondContact O-N 3.1Å; A221-H225 PolarHBondContact O-ND1 2.88Å; V222-H225 PolarHBondContact O-N 3.12Å; D223-H225 VanDerWaalsContact C-N 3.27Å; D223-H225 PolarHBondContact O-N 3.44Å; H225-M228 WeakPolarHBondContact O-CB 3.27Å; H225-M228 PolarHBondContact O-N 3.01Å
226Y96.8Very high95.4Very high127 Ų12727.3 Ų27.350%0.49815%0.146SC..Hα-helixtrans-64.5-45.7178-178.2-97.4000111.6L167 V222 D223 M228L167-Y226 HydrophobicContact CD2-CD2 3.77Å; V222-Y226 WeakPolarHBondContact O-CB 3.42Å; V222-Y226 PolarHBondContact O-N 3.24Å; D223-Y226 PolarHBondContact O-N 3.45Å; D223-Y226 VanDerWaalsContact O-N 3.15Å; Y226-M228 VanDerWaalsContact C-N 3.26Å; Y226-M228 PolarHBondContact O-N 2.92Å
227F96.1Very high95.4Very high46 Ų4629.5 Ų29.520%0.20215%0.153CC..THydrogen-bonded Turntrans-86.212.1179.8-70-70.4000113.8A93 T95 D223 N229 E230 S231A93-F227 HydrophobicContact CB-CD1 4.18Å; A93-F227 HydrophobicContact CB-CD2 4.39Å; A93-F227 HydrophobicContact CB-CE1 3.92Å; A93-F227 HydrophobicContact CB-CE2 4.15Å; A93-F227 HydrophobicContact CB-CG 4.41Å; A93-F227 HydrophobicContact CB-CZ 3.91Å; T95-F227 HydrophobicContact CG2-CB 4Å; T95-F227 HydrophobicContact CG2-CD1 4.18Å; T95-F227 HydrophobicContact CG2-CG 4.24Å; D223-F227 HydrophobicContact CB-CD2 4.41Å; D223-F227 VanDerWaalsContact O-CD2 3.28Å; D223-F227 WeakPolarHBondContact O-CD2 3.21Å; D223-F227 PolarHBondContact O-N 3.04Å; F227-N229 VanDerWaalsContact C-N 3.33Å; F227-N229 PolarHBondContact O-N 3.25Å; F227-E230 WeakPolarHBondContact CD1-OE2 3.36Å; F227-E230 PolarHBondContact O-N 3.42Å; F227-S231 WeakPolarHBondContact O-CB 3.31Å; F227-S231 PolarHBondContact O-N 3.34Å; F227-S231 PolarHBondContact O-OG 3.46Å
228M96.4Very high95.3Very high0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-60.9-40.9-178.9-173.661.662.100112.3T45 L123 L126 I148 F153 W162 E224 H225 Y226 E230 S231 V232T45-M228 HydrophobicContact CG2-CE 3.28Å; T45-M228 WeakPolarHBondContact OG1-CE 3.46Å; L123-M228 HydrophobicContact CB-CE 4.06Å; L123-M228 HydrophobicContact CD1-CE 4.06Å; L123-M228 HydrophobicContact CD1-SD 4Å; L123-M228 HydrophobicContact CD2-CE 4.12Å; L123-M228 HydrophobicContact CG-CE 4.31Å; L126-M228 HydrophobicContact CD1-SD 3.95Å; I148-M228 HydrophobicContact CD1-CE 3.89Å; I148-M228 HydrophobicContact CD1-CG 4.44Å; I148-M228 HydrophobicContact CD1-SD 3.67Å; F153-M228 HydrophobicContact CE2-CB 4.3Å; F153-M228 HydrophobicContact CE2-CG 3.54Å; F153-M228 HydrophobicContact CZ-CB 3.82Å; F153-M228 HydrophobicContact CZ-CG 3.46Å; F153-M228 VanDerWaalsContact CZ-CG 3.46Å; W162-M228 HydrophobicContact CH2-CE 4.33Å; W162-M228 HydrophobicContact CH2-CG 4.2Å; W162-M228 HydrophobicContact CZ2-CB 3.72Å; W162-M228 HydrophobicContact CZ2-CE 4.12Å; W162-M228 HydrophobicContact CZ2-CG 3.71Å; E224-M228 PolarHBondContact O-N 3.33Å; H225-M228 WeakPolarHBondContact O-CB 3.27Å; H225-M228 PolarHBondContact O-N 3.01Å; Y226-M228 VanDerWaalsContact C-N 3.26Å; Y226-M228 PolarHBondContact O-N 2.92Å; M228-E230 PolarHBondContact O-N 3.13Å; M228-S231 WeakPolarHBondContact O-CB 3.44Å; M228-S231 PolarHBondContact O-N 3.47Å; M228-V232 PolarHBondContact O-N 2.86Å
229N96.3Very high95Very high64 Ų6431.3 Ų31.334%0.34216%0.164SC..Hα-helixtrans-63.9-42179.1-172.421.6000111.9F153 Y163 F227 S231 V232 A233F153-N229 HydrophobicContact CB-CB 4.46Å; F153-N229 WeakPolarHBondContact CB-OD1 3.34Å; F153-N229 HydrophobicContact CD1-CB 3.79Å; F153-N229 HydrophobicContact CE1-CB 4.17Å; F153-N229 HydrophobicContact CG-CB 4.05Å; Y163-N229 VanDerWaalsContact OH-CB 3.24Å; Y163-N229 WeakPolarHBondContact OH-CB 3.36Å; F227-N229 VanDerWaalsContact C-N 3.33Å; F227-N229 PolarHBondContact O-N 3.25Å; N229-S231 VanDerWaalsContact C-N 3.31Å; N229-S231 PolarHBondContact O-N 3.1Å; N229-V232 WeakPolarHBondContact O-CG2 3.25Å; N229-V232 PolarHBondContact O-N 3.26Å; N229-A233 WeakPolarHBondContact O-CB 3.25Å; N229-A233 PolarHBondContact O-N 3.29Å
230E95.5Very high94.7Very high91 Ų9138.2 Ų38.243%0.42519%0.192SC..Hα-helixtrans-65.8-38174.5-170.3178.1166.500111.4T95 F227 M228 V232 A233 Q234T95-E230 HydrophobicContact CG2-CB 4.19Å; T95-E230 VanDerWaalsContact CG2-CD 3.49Å; T95-E230 HydrophobicContact CG2-CG 3.91Å; F227-E230 WeakPolarHBondContact CD1-OE2 3.36Å; F227-E230 PolarHBondContact O-N 3.42Å; M228-E230 PolarHBondContact O-N 3.13Å; E230-V232 PolarHBondContact O-N 2.91Å; E230-A233 PolarHBondContact O-N 3.41Å; E230-Q234 VanDerWaalsContact O-CG 3.3Å; E230-Q234 WeakPolarHBondContact O-CG 3.39Å; E230-Q234 PolarHBondContact O-N 2.85Å
231S96.1Very high94.4Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-61.7-42.1177-66.90000112.8T95 T96 F227 M228 N229 V235T95-S231 WeakPolarHBondContact CA-OG 3.4Å; T96-S231 PolarHBondContact N-OG 3.18Å; T96-S231 WeakPolarHBondContact OG1-CA 3.47Å; T96-S231 WeakPolarHBondContact OG1-CB 3.38Å; T96-S231 PolarHBondContact OG1-O 2.73Å; F227-S231 WeakPolarHBondContact O-CB 3.31Å; F227-S231 PolarHBondContact O-N 3.34Å; F227-S231 PolarHBondContact O-OG 3.46Å; M228-S231 WeakPolarHBondContact O-CB 3.44Å; M228-S231 PolarHBondContact O-N 3.47Å; N229-S231 VanDerWaalsContact C-N 3.31Å; N229-S231 PolarHBondContact O-N 3.1Å; S231-V235 VanDerWaalsContact O-CG2 3.31Å; S231-V235 WeakPolarHBondContact O-CG2 3.38Å; S231-V235 PolarHBondContact O-N 3.32Å
232V95.3Very high94.2Very high3 Ų349.5 Ų49.52%0.01824%0.24CC..Hα-helixtrans-70.3-39.3174.3-65.30000111.9L126 I148 E150 F153 M228 N229 E230 Q234 V235 G236L126-V232 HydrophobicContact CD1-CG1 3.62Å; L126-V232 HydrophobicContact CD2-CG1 4.33Å; I148-V232 HydrophobicContact CG2-CG1 4.25Å; E150-V232 HydrophobicContact CB-CB 4.44Å; F153-V232 HydrophobicContact CB-CG2 4.47Å; F153-V232 HydrophobicContact CD2-CG1 4.31Å; F153-V232 HydrophobicContact CD2-CG2 3.71Å; F153-V232 HydrophobicContact CE2-CG1 4.35Å; F153-V232 HydrophobicContact CE2-CG2 4.37Å; F153-V232 HydrophobicContact CG-CG2 4.35Å; M228-V232 PolarHBondContact O-N 2.86Å; N229-V232 WeakPolarHBondContact O-CG2 3.25Å; N229-V232 PolarHBondContact O-N 3.26Å; E230-V232 PolarHBondContact O-N 2.91Å; V232-Q234 VanDerWaalsContact C-N 3.35Å; V232-Q234 PolarHBondContact O-N 3.16Å; V232-V235 PolarHBondContact O-N 3.26Å; V232-V235 VanDerWaalsContact O-N 3.16Å; V232-G236 PolarHBondContact O-N 2.99Å
233A94.8Very high93.8Very high47 Ų4753.9 Ų53.939%0.38827%0.269SS..Hα-helixtrans-61-43.5177.800000111.7N229 E230 V235 G236 D237N229-A233 WeakPolarHBondContact O-CB 3.25Å; N229-A233 PolarHBondContact O-N 3.29Å; E230-A233 PolarHBondContact O-N 3.41Å; A233-V235 VanDerWaalsContact C-N 3.29Å; A233-V235 PolarHBondContact O-N 2.94Å; A233-G236 PolarHBondContact O-N 3.43Å; A233-D237 PolarHBondContact O-N 3.49Å
234Q94.9Very high93.6Very high42 Ų4254 Ų5420%0.19627%0.269CS..Hα-helixtrans-58.3-40175.3-74.2174.8-5.200112.4T95 F130 E230 V232 I238T95-Q234 PolarHBondContact OG1-NE2 3Å; F130-Q234 HydrophobicContact CD2-CB 4.46Å; F130-Q234 HydrophobicContact CE2-CB 4Å; F130-Q234 WeakPolarHBondContact CE2-O 3.39Å; E230-Q234 VanDerWaalsContact O-CG 3.3Å; E230-Q234 WeakPolarHBondContact O-CG 3.39Å; E230-Q234 PolarHBondContact O-N 2.85Å; V232-Q234 VanDerWaalsContact C-N 3.35Å; V232-Q234 PolarHBondContact O-N 3.16Å; Q234-I238 PolarHBondContact O-N 3.21Å; Q234-I238 VanDerWaalsContact O-N 3.09Å
235V94.3Very high93.3Very high0 Ų055.1 Ų55.10%028%0.277CS..Hα-helixtrans-68.7-41.6177.2-177.80000111.1T96 L126 R129 F130 E150 S231 V232 A233 D237 I238 T239T96-V235 HydrophobicContact CG2-CG2 3.82Å; L126-V235 HydrophobicContact CB-CG2 4.1Å; L126-V235 HydrophobicContact CD2-CG2 4.19Å; R129-V235 HydrophobicContact CB-CG1 4.3Å; F130-V235 HydrophobicContact CB-CG2 4.18Å; F130-V235 HydrophobicContact CD2-CG2 4.2Å; E150-V235 HydrophobicContact CG-CB 4.49Å; E150-V235 HydrophobicContact CG-CG1 4.44Å; E150-V235 WeakPolarHBondContact OE1-CG1 3.45Å; S231-V235 VanDerWaalsContact O-CG2 3.31Å; S231-V235 WeakPolarHBondContact O-CG2 3.38Å; S231-V235 PolarHBondContact O-N 3.32Å; V232-V235 PolarHBondContact O-N 3.26Å; V232-V235 VanDerWaalsContact O-N 3.16Å; A233-V235 VanDerWaalsContact C-N 3.29Å; A233-V235 PolarHBondContact O-N 2.94Å; V235-D237 VanDerWaalsContact C-N 3.34Å; V235-D237 PolarHBondContact O-N 3.25Å; V235-I238 VanDerWaalsContact O-CG2 3.29Å; V235-I238 WeakPolarHBondContact O-CG2 3.49Å; V235-T239 WeakPolarHBondContact O-CB 3.42Å; V235-T239 PolarHBondContact O-N 2.92Å; V235-T239 VanDerWaalsContact O-N 3.07Å; V235-T239 PolarHBondContact O-OG1 2.96Å
236G92.3Very high92.9Very high9 Ų960.7 Ų60.79%0.09332%0.317CS..Hα-helixtrans-65.3-37.5176.800000113.3E150 V232 A233 K240E150-G236 WeakPolarHBondContact OE2-CA 3.4Å; E150-G236 PolarHBondContact OE2-N 2.91Å; V232-G236 PolarHBondContact O-N 2.99Å; A233-G236 PolarHBondContact O-N 3.43Å; G236-K240 WeakPolarHBondContact O-CG 3.49Å; G236-K240 PolarHBondContact O-N 3.46Å
237D92.8Very high92.6Very high82 Ų8264.8 Ų64.844%0.43933%0.332SS..Hα-helixtrans-67.4-50.3176.4-73.2-17.5000111.5A233 V235 T239 K240 F241A233-D237 PolarHBondContact O-N 3.49Å; V235-D237 VanDerWaalsContact C-N 3.34Å; V235-D237 PolarHBondContact O-N 3.25Å; D237-T239 PolarHBondContact O-N 3.19Å; D237-K240 WeakPolarHBondContact O-CB 3.43Å; D237-K240 PolarHBondContact O-N 2.86Å; D237-K240 VanDerWaalsContact O-N 3.09Å; D237-K240 IonicContact OD1-NZ 2.6Å; D237-F241 WeakPolarHBondContact O-CD2 3.43Å; D237-F241 PolarHBondContact O-N 3.37Å
238I92Very high92.6Very high33 Ų3363.2 Ų63.217%0.16933%0.325CS..Hα-helixtrans-62.5-34.1-179.3-166.462.7000112F130 H133 I134 Q234 V235 K240 F241 K242F130-I238 HydrophobicContact CD2-CB 4.2Å; F130-I238 HydrophobicContact CD2-CG2 3.5Å; F130-I238 HydrophobicContact CE2-CB 3.95Å; F130-I238 HydrophobicContact CE2-CG2 3.77Å; F130-I238 HydrophobicContact CG-CG2 4.33Å; H133-I238 HydrophobicContact CB-CG1 3.82Å; H133-I238 HydrophobicContact CB-CG2 4.21Å; I134-I238 HydrophobicContact CG1-CD1 4.44Å; I134-I238 HydrophobicContact CG1-CG1 4.38Å; Q234-I238 PolarHBondContact O-N 3.21Å; Q234-I238 VanDerWaalsContact O-N 3.09Å; V235-I238 VanDerWaalsContact O-CG2 3.29Å; V235-I238 WeakPolarHBondContact O-CG2 3.49Å; I238-K240 PolarHBondContact O-N 3.07Å; I238-F241 PolarHBondContact O-N 3.43Å; I238-F241 VanDerWaalsContact O-N 3.16Å; I238-K242 HydrophobicContact CD1-CB 4.36Å; I238-K242 PolarHBondContact O-N 3.07Å
239T89.3Confident92.5Very high35 Ų3565.5 Ų65.522%0.21534%0.341CS..Hα-helixtrans-61.5-35178.1-59.10000111.6H133 V235 D237H133-T239 PolarHBondContact NE2-OG1 3.28Å; V235-T239 WeakPolarHBondContact O-CB 3.42Å; V235-T239 PolarHBondContact O-N 2.92Å; V235-T239 VanDerWaalsContact O-N 3.07Å; V235-T239 PolarHBondContact O-OG1 2.96Å; D237-T239 PolarHBondContact O-N 3.19Å
240K89.1Confident92.6Very high162 Ų16263.1 Ų63.170%0.70433%0.329SS*.Hα-helixtrans-71.7-35.8176.1-65.4165.5-170164.20112.6G236 D237 I238G236-K240 WeakPolarHBondContact O-CG 3.49Å; G236-K240 PolarHBondContact O-N 3.46Å; D237-K240 WeakPolarHBondContact O-CB 3.43Å; D237-K240 PolarHBondContact O-N 2.86Å; D237-K240 VanDerWaalsContact O-N 3.09Å; D237-K240 IonicContact OD1-NZ 2.6Å; I238-K240 PolarHBondContact O-N 3.07Å
241F88.9Confident92.7Very high173 Ų17358.9 Ų58.976%0.75931%0.31SS*.Hα-helixtrans-87.4-35.2-175.8-68.8-69.3000114D237 I238D237-F241 WeakPolarHBondContact O-CD2 3.43Å; D237-F241 PolarHBondContact O-N 3.37Å; I238-F241 PolarHBondContact O-N 3.43Å; I238-F241 VanDerWaalsContact O-N 3.16Å
242K91.4Very high92.7Very high73 Ų7359 Ų5932%0.31731%0.31SS..SBendtrans-136.693-177.5-171.4171.6176.2-155.20110.1H133 I134 D136 I238H133-K242 PolarHBondContact ND1-O 2.89Å; H133-K242 WeakPolarHBondContact O-CD 3.42Å; H133-K242 WeakPolarHBondContact O-CE 3.48Å; H133-K242 PolarHBondContact O-NZ 3.44Å; I134-K242 PolarHBondContact O-NZ 3.42Å; D136-K242 IonicContact OD1-NZ 3Å; D136-K242 PolarHBondContact OD1-NZ 3.48Å; I238-K242 HydrophobicContact CD1-CB 4.36Å; I238-K242 PolarHBondContact O-N 3.07Å
243P88.6Confident92.8Very high99 Ų9958.9 Ų58.964%0.64331%0.309SS*.PPolyproline II helixtrans-56.3151.8176.3-25.134.3000112.6
244L90.8Very high92.9Very high37 Ų3757 Ų5719%0.19429%0.293CS..PPolyproline II helixtrans-64.8137.5178.7-168.470.1000110.3S132 L142 S246 I248 V250 Y282S132-L244 WeakPolarHBondContact OG-CD1 3.45Å; L142-L244 HydrophobicContact CD2-CD2 4.16Å; L244-S246 PolarHBondContact O-N 3.1Å; L244-I248 HydrophobicContact CD1-CD1 3.73Å; L244-I248 HydrophobicContact CD2-CB 4.31Å; L244-I248 HydrophobicContact CD2-CG2 4.26Å; L244-I248 HydrophobicContact CG-CB 4.39Å; L244-I248 HydrophobicContact CG-CD1 4.22Å; L244-V250 HydrophobicContact CD2-CG2 3.54Å; L244-Y282 HydrophobicContact CB-CE1 4.29Å; L244-Y282 HydrophobicContact CD2-CD1 4.21Å; L244-Y282 HydrophobicContact CD2-CE1 3.49Å; L244-Y282 VanDerWaalsContact CD2-CE1 3.49Å; L244-Y282 HydrophobicContact CG-CE1 4.48Å
245S91.2Very high92.9Very high25 Ų2555.5 Ų55.518%0.17529%0.288CS..PPolyproline II helixtrans-62.5133.7177.2-178.20000111.5R247 I248S245-R247 PolarHBondContact O-N 3.28Å; S245-I248 PolarHBondContact O-N 2.86Å
246S88.9Confident92.9Very high126 Ų12660.1 Ų60.188%0.88131%0.313SS*.THydrogen-bonded Turntrans-64.2-9.8177.858.80000114.2L244 I248L244-S246 PolarHBondContact O-N 3.1Å; S246-I248 VanDerWaalsContact C-N 3.32Å
247R90.4Very high92.9Very high214 Ų21461.1 Ų61.181%0.80832%0.319SS*.THydrogen-bonded Turntrans-77.2-20.9175.1-59.3-178.8-174.3-174.21.3112.6S245S245-R247 PolarHBondContact O-N 3.28Å
248I94.8Very high93Very high12 Ų1257.5 Ų57.56%0.06230%0.299CS..SBendtrans-86.5117.2-176.9-57.4177000108.2D136 V139 L142 L244 S245 S246D136-I248 HydrophobicContact CB-CD1 4.12Å; V139-I248 HydrophobicContact CB-CD1 4.11Å; V139-I248 HydrophobicContact CG1-CD1 4.42Å; V139-I248 HydrophobicContact CG1-CG2 4.16Å; L142-I248 HydrophobicContact CB-CG2 3.82Å; L244-I248 HydrophobicContact CD1-CD1 3.73Å; L244-I248 HydrophobicContact CD2-CB 4.31Å; L244-I248 HydrophobicContact CD2-CG2 4.26Å; L244-I248 HydrophobicContact CG-CB 4.39Å; L244-I248 HydrophobicContact CG-CD1 4.22Å; S245-I248 PolarHBondContact O-N 2.86Å; S246-I248 VanDerWaalsContact C-N 3.32Å
249S95.4Very high93.1Very high49 Ų4956.3 Ų56.334%0.34329%0.293SS..EExtended strand (participates in β ladder)trans-75.3136171.3-175.70000109.4S140 D141 L142S140-S249 PolarHBondContact O-N 2.9Å; D141-S249 CarbonylContact C-O 3.57Å; D141-S249 WeakPolarHBondContact CA-O 3.41Å; D141-S249 VanDerWaalsContact OD1-CB 3.28Å; D141-S249 WeakPolarHBondContact OD1-CB 3.26Å; L142-S249 PolarHBondContact N-O 3.13Å
250V97.1Very high93.3Very high14 Ų1459.9 Ų59.99%0.08531%0.308CS..EExtended strand (participates in β ladder)trans-115.8126.9-179.9-173.60000109.9L142 L144 L244 Y282 A285 N286L142-V250 HydrophobicContact CB-CG2 4.38Å; L142-V250 HydrophobicContact CD2-CG1 4.47Å; L142-V250 HydrophobicContact CD2-CG2 4.34Å; L142-V250 WeakPolarHBondContact O-CA 3.39Å; L144-V250 HydrophobicContact CD1-CG1 4.35Å; L244-V250 HydrophobicContact CD2-CG2 3.54Å; V250-Y282 HydrophobicContact CB-CD1 4.39Å; V250-Y282 HydrophobicContact CG1-CD1 4.15Å; V250-Y282 HydrophobicContact CG1-CD2 4.18Å; V250-Y282 HydrophobicContact CG1-CG 3.95Å; V250-Y282 HydrophobicContact CG2-CD1 3.92Å; V250-Y282 HydrophobicContact CG2-CE1 4.18Å; V250-A285 HydrophobicContact CB-CB 4.02Å; V250-A285 HydrophobicContact CG1-CB 3.94Å; V250-A285 VanDerWaalsContact O-CA 3.29Å; V250-A285 WeakPolarHBondContact O-CA 3.35Å; V250-A285 WeakPolarHBondContact O-CB 3.49Å; V250-N286 PolarHBondContact O-N 3.21Å
251S97.4Very high93.4Very high2 Ų259.2 Ų59.21%0.01431%0.307CS..EExtended strand (participates in β ladder)trans-119.2136.4169.1-690000109.7L142 V143 L144 N286 H308L142-S251 PolarHBondContact O-N 3.12Å; V143-S251 WeakPolarHBondContact CA-O 3.49Å; L144-S251 PolarHBondContact N-O 3.42Å; S251-N286 CarbonylContact C-O 3.58Å; S251-N286 VanDerWaalsContact CA-O 3.31Å; S251-N286 WeakPolarHBondContact CA-O 3.11Å; S251-H308 WeakPolarHBondContact CB-NE2 3.44Å; S251-H308 PolarHBondContact OG-NE2 3.15Å
252M96.6Very high93.6Very high2 Ų251.6 Ų51.61%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-119.1127.7174.6-178.7165.2166.200109.5L144 P147 T254 Q274 F277 L278 N286 H287 V288L144-M252 CarbonylContact O-C 3.02Å; L144-M252 WeakPolarHBondContact O-CA 3.19Å; P147-M252 HydrophobicContact CG-CE 3.55Å; P147-M252 HydrophobicContact CG-CG 4.34Å; P147-M252 HydrophobicContact CG-SD 3.93Å; M252-T254 HydrophobicContact CE-CG2 3.43Å; M252-T254 VanDerWaalsContact CE-CG2 3.43Å; M252-T254 HydrophobicContact CG-CG2 4.08Å; M252-Q274 HydrophobicContact CE-CB 3.99Å; M252-Q274 HydrophobicContact CE-CG 4.25Å; M252-F277 HydrophobicContact CE-CD1 4.23Å; M252-F277 HydrophobicContact CE-CE1 4.39Å; M252-F277 HydrophobicContact SD-CD1 4.13Å; M252-F277 HydrophobicContact SD-CE1 3.92Å; M252-L278 HydrophobicContact CB-CD1 4.16Å; M252-L278 HydrophobicContact SD-CB 4.08Å; M252-L278 HydrophobicContact SD-CD1 3.83Å; M252-L278 HydrophobicContact SD-CD2 4.47Å; M252-L278 HydrophobicContact SD-CG 4.34Å; M252-N286 PolarHBondContact N-O 3.17Å; M252-H287 CarbonylContact O-C 3.58Å; M252-H287 WeakPolarHBondContact O-CA 3.32Å; M252-H287 PolarHBondContact O-CD2 3.29Å; M252-V288 PolarHBondContact O-N 3.16Å
253L97.3Very high93.8Very high0 Ų050.1 Ų50.10%027%0.272CS..EExtended strand (participates in β ladder)trans-112.4124.5178-73.567000108.1V143 L144 I145 D146 V288 I290 I305 H308V143-L253 HydrophobicContact CG1-CD1 3.7Å; L144-L253 PolarHBondContact O-N 2.86Å; I145-L253 HydrophobicContact CG1-CB 4.35Å; I145-L253 HydrophobicContact CG1-CD2 4.49Å; I145-L253 HydrophobicContact CG2-CB 4.45Å; D146-L253 PolarHBondContact N-O 2.96Å; L253-V288 WeakPolarHBondContact CA-O 3.44Å; L253-V288 HydrophobicContact CG-CB 4.2Å; L253-I290 HydrophobicContact CB-CD1 4.39Å; L253-I290 HydrophobicContact CD2-CD1 4.05Å; L253-I290 HydrophobicContact CG-CD1 4.47Å; L253-I305 HydrophobicContact CD2-CD1 3.6Å; L253-H308 HydrophobicContact CD2-CB 4.33Å
254T96.4Very high94.1Very high9 Ų952.4 Ų52.46%0.05527%0.274CS..EExtended strand (participates in β ladder)trans-130.8153.4177.660.70000112.3D146 M252 H287 V288 I290D146-T254 VanDerWaalsContact OD1-CA 3.3Å; D146-T254 WeakPolarHBondContact OD1-CA 3.44Å; M252-T254 HydrophobicContact CE-CG2 3.43Å; M252-T254 VanDerWaalsContact CE-CG2 3.43Å; M252-T254 HydrophobicContact CG-CG2 4.08Å; T254-H287 PolarHBondContact OG1-NE2 3.49Å; T254-V288 PolarHBondContact N-O 3.13Å; T254-V288 VanDerWaalsContact N-O 3.1Å; T254-I290 PolarHBondContact O-N 2.83Å
255G95.1Very high94.3Very high9 Ų955.1 Ų55.19%0.09329%0.285CS..  trans-89.9-175.1174.100000114.1D146 S257 H289 A293D146-G255 PolarHBondContact OD1-N 2.96Å; G255-S257 VanDerWaalsContact C-N 3.28Å; G255-H289 PolarHBondContact O-CE1 2.92Å; G255-A293 CarbonylContact C-O 3.45Å; G255-A293 VanDerWaalsContact CA-O 3.23Å; G255-A293 WeakPolarHBondContact CA-O 3.28Å
256D94.1Very high94.6Very high97 Ų9754 Ų5452%0.51928%0.277SS..SBendtrans-71-26171.9-71.5-13.6000112H289 G292 A293D256-H289 IonicContact OD1-CD2 3.68Å; D256-H289 IonicContact OD1-CE1 2.58Å; D256-H289 PolarHBondContact OD1-CE1 2.96Å; D256-H289 IonicContact OD1-NE2 2.79Å; D256-H289 PolarHBondContact OD1-NE2 3.44Å; D256-G292 VanDerWaalsContact CG-N 3.31Å; D256-G292 WeakPolarHBondContact OD2-CA 3.42Å; D256-G292 PolarHBondContact OD2-N 2.97Å; D256-A293 PolarHBondContact N-O 3.35Å
257S94.3Very high94.9Very high31 Ų3148.8 Ų48.822%0.21724%0.24CC..SBendtrans-147.1158.7175.964.70000109.3G255 D294G255-S257 VanDerWaalsContact C-N 3.28Å; S257-D294 VanDerWaalsContact O-CA 3.24Å; S257-D294 WeakPolarHBondContact O-CA 3.32Å; S257-D294 WeakPolarHBondContact O-CB 3.17Å
258F94.3Very high95.2Very high5 Ų543.9 Ų43.92%0.02223%0.226CC..SBendtrans-70.2-48.1176.8-179-108.1000110.9E122 D146 I148 W158 M262 N267 V270 R295E122-F258 HydrophobicContact CG-CE2 4.5Å; E122-F258 HydrophobicContact CG-CZ 4.46Å; D146-F258 HydrophobicContact CB-CD2 4.36Å; D146-F258 HydrophobicContact CB-CE2 4.34Å; I148-F258 HydrophobicContact CG1-CZ 4.16Å; W158-F258 HydrophobicContact CH2-CD1 4.39Å; W158-F258 HydrophobicContact CH2-CE1 4.11Å; F258-M262 HydrophobicContact CD1-SD 3.9Å; F258-M262 HydrophobicContact CE1-SD 4.31Å; F258-N267 PolarHBondContact N-OD1 3.08Å; F258-V270 HydrophobicContact CB-CB 4.05Å; F258-V270 HydrophobicContact CB-CG1 3.7Å; F258-V270 HydrophobicContact CB-CG2 4.46Å; F258-V270 HydrophobicContact CD1-CG1 4.37Å; F258-V270 HydrophobicContact CD1-CG2 4.37Å; F258-V270 HydrophobicContact CD2-CG1 3.76Å; F258-V270 HydrophobicContact CE2-CG1 4.5Å; F258-V270 HydrophobicContact CG-CB 4.34Å; F258-V270 HydrophobicContact CG-CG1 3.68Å; F258-V270 HydrophobicContact CG-CG2 4.41Å; F258-R295 HydrophobicContact CE2-CB 4.46Å; F258-R295 WeakPolarHBondContact O-CB 3.4Å; F258-R295 WeakPolarHBondContact O-CD 3.38Å; F258-R295 WeakPolarHBondContact O-CG 3.33Å; F258-R295 PolarHBondContact O-N 2.98Å
259D94.4Very high95.2Very high9 Ų944.6 Ų44.65%0.04823%0.229CC..  trans-148.4117.8176.5-168.5-26.6000110Q261 M262 N267 R295D259-Q261 PolarHBondContact O-N 3.23Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.47Å; D259-Q261 PolarHBondContact OD1-N 2.9Å; D259-M262 HydrophobicContact CB-CB 4.13Å; D259-M262 HydrophobicContact CB-CG 3.73Å; D259-M262 HydrophobicContact CB-SD 3.78Å; D259-M262 WeakPolarHBondContact O-CB 3.48Å; D259-M262 PolarHBondContact O-N 3.45Å; D259-N267 PolarHBondContact N-OD1 3.12Å; D259-N267 PolarHBondContact O-ND2 3.31Å; D259-N267 PolarHBondContact O-OD1 3.1Å; D259-R295 HydrophobicContact CB-CG 4.3Å; D259-R295 WeakPolarHBondContact OD2-CD 3.41Å; D259-R295 IonicContact OD2-CZ 2.74Å; D259-R295 IonicContact OD2-NE 2.72Å; D259-R295 IonicContact OD2-NH1 3.61Å; D259-R295 PolarHBondContact OD2-NH1 3.28Å
260E92.6Very high95.2Very high110 Ų11042.3 Ų42.351%0.51421%0.213SC..THydrogen-bonded Turntrans-61.2-18.8179.2-61.3168.8154.300112.9M262 D294 R296 K300E260-M262 VanDerWaalsContact C-N 3.32Å; E260-D294 HydrophobicContact CG-CB 4.1Å; E260-D294 WeakPolarHBondContact CG-OD2 3.49Å; E260-D294 PolarHBondContact N-OD2 3.33Å; E260-R296 IonicContact OE2-NH2 3.55Å; E260-R296 PolarHBondContact OE2-NH2 3.38Å; E260-K300 IonicContact OE2-NZ 2.77Å; E260-K300 PolarHBondContact OE2-NZ 2.88Å
261Q90.9Very high95.1Very high147 Ų14743.9 Ų43.969%0.68723%0.228SC*.THydrogen-bonded Turntrans-84.8-8.1177.2-58-175.2-15.900112.9D259 R296D259-Q261 PolarHBondContact O-N 3.23Å; D259-Q261 WeakPolarHBondContact OD1-CB 3.47Å; D259-Q261 PolarHBondContact OD1-N 2.9Å; Q261-R296 VanDerWaalsContact CD-NH1 3.33Å
262M92.9Very high95Very high14 Ų1449.1 Ų49.17%0.06925%0.252CS..SBendtrans-87.6149178.6-77.6-177.65800112.6W158 Y161 F258 D259 E260 L266 N267W158-M262 HydrophobicContact CE3-CE 4.22Å; W158-M262 HydrophobicContact CH2-CE 3.89Å; W158-M262 HydrophobicContact CH2-SD 4.38Å; W158-M262 HydrophobicContact CZ3-CE 3.33Å; W158-M262 HydrophobicContact CZ3-SD 4.38Å; Y161-M262 HydrophobicContact CD1-CE 4.19Å; Y161-M262 HydrophobicContact CE1-CE 3.85Å; Y161-M262 HydrophobicContact CE1-CG 4.17Å; Y161-M262 HydrophobicContact CE1-SD 4.04Å; Y161-M262 WeakPolarHBondContact OH-CG 3.41Å; F258-M262 HydrophobicContact CD1-SD 3.9Å; F258-M262 HydrophobicContact CE1-SD 4.31Å; D259-M262 HydrophobicContact CB-CB 4.13Å; D259-M262 HydrophobicContact CB-CG 3.73Å; D259-M262 HydrophobicContact CB-SD 3.78Å; D259-M262 WeakPolarHBondContact O-CB 3.48Å; D259-M262 PolarHBondContact O-N 3.45Å; E260-M262 VanDerWaalsContact C-N 3.32Å; M262-L266 HydrophobicContact CE-CB 3.44Å; M262-L266 VanDerWaalsContact CE-CB 3.44Å; M262-L266 HydrophobicContact CE-CD1 3.81Å; M262-L266 HydrophobicContact CE-CG 4.27Å; M262-N267 WeakPolarHBondContact CB-ND2 3.49Å; M262-N267 PolarHBondContact O-ND2 2.95Å; M262-N267 VanDerWaalsContact O-ND2 3.11Å
263P95.5Very high95Very high42 Ų4249.3 Ų49.327%0.27325%0.253SS..  trans-49.9141.2168.8-26.233000112.7H265 L266 N267P263-H265 VanDerWaalsContact C-N 3.3Å; P263-H265 WeakPolarHBondContact CB-CE1 3.43Å; P263-H265 PolarHBondContact O-N 2.83Å; P263-L266 HydrophobicContact CB-CD1 4.42Å; P263-L266 HydrophobicContact CB-CG 4.38Å; P263-L266 HydrophobicContact CG-CD1 4.11Å; P263-L266 PolarHBondContact O-N 2.77Å; P263-L266 VanDerWaalsContact O-N 3.11Å; P263-N267 PolarHBondContact O-N 2.88Å; P263-N267 VanDerWaalsContact O-N 3.14Å
264Q95.4Very high94.8Very high147 Ų14750 Ų5069%0.68726%0.256SS*.Hα-helixtrans-57.3-39.8-175.7-173.9179.65.400113.2L266 N267 Q268Q264-L266 VanDerWaalsContact C-N 3.33Å; Q264-L266 PolarHBondContact O-N 2.87Å; Q264-N267 WeakPolarHBondContact O-CB 3.08Å; Q264-N267 PolarHBondContact O-N 3.46Å; Q264-Q268 WeakPolarHBondContact O-CG 3.49Å; Q264-Q268 PolarHBondContact O-N 2.93Å
265H96Very high94.6Very high93 Ų9356.5 Ų56.543%0.43128%0.284SS..Hα-helixtrans-63.6-37.1179.567.1-86.2000112.4Q157 P263 Q268 M269Q157-H265 PolarHBondContact OE1-CD2 3.11Å; P263-H265 VanDerWaalsContact C-N 3.3Å; P263-H265 WeakPolarHBondContact CB-CE1 3.43Å; P263-H265 PolarHBondContact O-N 2.83Å; H265-Q268 PolarHBondContact O-N 3.34Å; H265-M269 WeakPolarHBondContact O-CB 3.47Å; H265-M269 PolarHBondContact O-N 3.1Å
266L96.3Very high94.4Very high1 Ų160.7 Ų60.71%0.00530%0.297CS..Hα-helixtrans-70.8-37.9175.3-61.5179.9000111.5Q157 Y161 M262 P263 Q264 Q268 M269 V270Q157-L266 HydrophobicContact CB-CD2 4.23Å; Y161-L266 HydrophobicContact CD1-CD1 3.82Å; Y161-L266 HydrophobicContact CD2-CD1 3.54Å; Y161-L266 HydrophobicContact CE1-CD1 4.45Å; Y161-L266 HydrophobicContact CE2-CD1 4.2Å; Y161-L266 HydrophobicContact CG-CD1 3.33Å; M262-L266 HydrophobicContact CE-CB 3.44Å; M262-L266 VanDerWaalsContact CE-CB 3.44Å; M262-L266 HydrophobicContact CE-CD1 3.81Å; M262-L266 HydrophobicContact CE-CG 4.27Å; P263-L266 HydrophobicContact CB-CD1 4.42Å; P263-L266 HydrophobicContact CB-CG 4.38Å; P263-L266 HydrophobicContact CG-CD1 4.11Å; P263-L266 PolarHBondContact O-N 2.77Å; P263-L266 VanDerWaalsContact O-N 3.11Å; Q264-L266 VanDerWaalsContact C-N 3.33Å; Q264-L266 PolarHBondContact O-N 2.87Å; L266-Q268 VanDerWaalsContact C-N 3.32Å; L266-Q268 PolarHBondContact O-N 2.83Å; L266-M269 HydrophobicContact CD2-SD 4.48Å; L266-M269 WeakPolarHBondContact O-CB 3.24Å; L266-M269 PolarHBondContact O-N 2.84Å; L266-V270 WeakPolarHBondContact O-CG2 3.19Å; L266-V270 PolarHBondContact O-N 3.08Å
267N96.1Very high94.2Very high17 Ų1756.6 Ų56.69%0.09127%0.274CS..Hα-helixtrans-61-41.9173.1-88.3-63.9000112F258 D259 M262 P263 Q264 V270 A271F258-N267 PolarHBondContact N-OD1 3.08Å; D259-N267 PolarHBondContact N-OD1 3.12Å; D259-N267 PolarHBondContact O-ND2 3.31Å; D259-N267 PolarHBondContact O-OD1 3.1Å; M262-N267 WeakPolarHBondContact CB-ND2 3.49Å; M262-N267 PolarHBondContact O-ND2 2.95Å; M262-N267 VanDerWaalsContact O-ND2 3.11Å; P263-N267 PolarHBondContact O-N 2.88Å; P263-N267 VanDerWaalsContact O-N 3.14Å; Q264-N267 WeakPolarHBondContact O-CB 3.08Å; Q264-N267 PolarHBondContact O-N 3.46Å; N267-V270 PolarHBondContact O-N 2.95Å; N267-A271 WeakPolarHBondContact O-CB 3.08Å; N267-A271 PolarHBondContact O-N 3.49Å
268Q95.4Very high93.9Very high111 Ų11156.2 Ų56.252%0.51927%0.27SS..Hα-helixtrans-63.9-43.8175.2-72.9171.6-19.400111.6Q264 H265 L266 A271 E272Q264-Q268 WeakPolarHBondContact O-CG 3.49Å; Q264-Q268 PolarHBondContact O-N 2.93Å; H265-Q268 PolarHBondContact O-N 3.34Å; L266-Q268 VanDerWaalsContact C-N 3.32Å; L266-Q268 PolarHBondContact O-N 2.83Å; Q268-A271 PolarHBondContact O-N 3.4Å; Q268-E272 PolarHBondContact O-N 2.97Å
269M96.2Very high93.7Very high27 Ų2764 Ų6413%0.13330%0.303CS..Hα-helixtrans-57.4-51.7175.2-177.8-174.3-78.700111.2I152 E155 Q157 W158 H265 L266 A271 E272 H273I152-M269 HydrophobicContact CD1-CG 3.71Å; I152-M269 HydrophobicContact CD1-SD 4.06Å; E155-M269 HydrophobicContact CB-CE 4.03Å; E155-M269 HydrophobicContact CB-SD 3.65Å; E155-M269 HydrophobicContact CG-CE 4.15Å; E155-M269 HydrophobicContact CG-CG 4.29Å; E155-M269 HydrophobicContact CG-SD 3.78Å; Q157-M269 HydrophobicContact CB-CE 4.07Å; W158-M269 HydrophobicContact CB-SD 4.13Å; H265-M269 WeakPolarHBondContact O-CB 3.47Å; H265-M269 PolarHBondContact O-N 3.1Å; L266-M269 HydrophobicContact CD2-SD 4.48Å; L266-M269 WeakPolarHBondContact O-CB 3.24Å; L266-M269 PolarHBondContact O-N 2.84Å; M269-A271 VanDerWaalsContact C-N 3.3Å; M269-A271 PolarHBondContact O-N 3.31Å; M269-E272 PolarHBondContact O-N 3.01Å; M269-H273 PolarHBondContact O-CD2 3.48Å; M269-H273 PolarHBondContact O-N 2.86Å
270V95.8Very high93.4Very high1 Ų170.1 Ų70.11%0.00633%0.332CS..Hα-helixtrans-59.1-42.2177.6176.50000111.6P149 I152 W158 F258 L266 N267 E272 H273 Q274P149-V270 HydrophobicContact CG-CG1 4.45Å; I152-V270 HydrophobicContact CD1-CG2 4.1Å; I152-V270 HydrophobicContact CG1-CG2 4.37Å; W158-V270 HydrophobicContact CE3-CG2 3.97Å; W158-V270 HydrophobicContact CH2-CG2 3.65Å; W158-V270 HydrophobicContact CZ3-CG2 3.21Å; F258-V270 HydrophobicContact CB-CB 4.05Å; F258-V270 HydrophobicContact CB-CG1 3.7Å; F258-V270 HydrophobicContact CB-CG2 4.46Å; F258-V270 HydrophobicContact CD1-CG1 4.37Å; F258-V270 HydrophobicContact CD1-CG2 4.37Å; F258-V270 HydrophobicContact CD2-CG1 3.76Å; F258-V270 HydrophobicContact CE2-CG1 4.5Å; F258-V270 HydrophobicContact CG-CB 4.34Å; F258-V270 HydrophobicContact CG-CG1 3.68Å; F258-V270 HydrophobicContact CG-CG2 4.41Å; L266-V270 WeakPolarHBondContact O-CG2 3.19Å; L266-V270 PolarHBondContact O-N 3.08Å; N267-V270 PolarHBondContact O-N 2.95Å; V270-E272 PolarHBondContact O-N 3.14Å; V270-H273 PolarHBondContact O-N 3.23Å; V270-Q274 HydrophobicContact CG1-CG 4.01Å; V270-Q274 WeakPolarHBondContact O-CB 3.21Å; V270-Q274 WeakPolarHBondContact O-CG 3.46Å; V270-Q274 PolarHBondContact O-N 2.74Å
271A94.8Very high93.1Very high47 Ų4766.8 Ų66.839%0.38832%0.321SS..Hα-helixtrans-61.9-42.3179.400000112.7N267 Q268 M269 Q274 K275N267-A271 WeakPolarHBondContact O-CB 3.08Å; N267-A271 PolarHBondContact O-N 3.49Å; Q268-A271 PolarHBondContact O-N 3.4Å; M269-A271 VanDerWaalsContact C-N 3.3Å; M269-A271 PolarHBondContact O-N 3.31Å; A271-Q274 PolarHBondContact O-N 2.98Å; A271-K275 WeakPolarHBondContact O-CB 3.5Å; A271-K275 PolarHBondContact O-N 2.81Å
272E95.1Very high93.1Very high113 Ų11360.5 Ų60.553%0.52829%0.291SS..Hα-helixtrans-64.9-43176.2-71.8-57.3140.400111.7Q268 M269 V270 K275 R276Q268-E272 PolarHBondContact O-N 2.97Å; M269-E272 PolarHBondContact O-N 3.01Å; V270-E272 PolarHBondContact O-N 3.14Å; E272-K275 PolarHBondContact O-N 3.23Å; E272-R276 PolarHBondContact O-N 3.3Å
273H95.4Very high92.8Very high6 Ų665.1 Ų65.13%0.02832%0.322CS..Hα-helixtrans-66.2-42.3176.6-79.2-107.3000112.2P149 D151 I152 E155 M269 V270 K275 R276 F277P149-H273 HydrophobicContact CB-CB 3.64Å; P149-H273 HydrophobicContact CG-CB 3.68Å; D151-H273 IonicContact OD1-CE1 2.67Å; D151-H273 IonicContact OD1-CG 3.07Å; D151-H273 IonicContact OD1-ND1 2.63Å; D151-H273 PolarHBondContact OD1-ND1 3.42Å; D151-H273 IonicContact OD2-CE1 2.98Å; D151-H273 IonicContact OD2-ND1 2.79Å; D151-H273 PolarHBondContact OD2-ND1 2.95Å; D151-H273 VanDerWaalsContact OD2-ND1 3.09Å; I152-H273 HydrophobicContact CD1-CB 4.1Å; E155-H273 IonicContact OE1-CE1 2.72Å; E155-H273 IonicContact OE1-NE2 3.29Å; E155-H273 PolarHBondContact OE1-NE2 3.08Å; M269-H273 PolarHBondContact O-CD2 3.48Å; M269-H273 PolarHBondContact O-N 2.86Å; V270-H273 PolarHBondContact O-N 3.23Å; H273-K275 VanDerWaalsContact C-N 3.31Å; H273-K275 PolarHBondContact O-N 2.94Å; H273-R276 PolarHBondContact CE1-NH1 3.43Å; H273-R276 PolarHBondContact O-N 3.43Å; H273-F277 WeakPolarHBondContact O-CB 3.24Å; H273-F277 PolarHBondContact O-N 3.35Å
274Q93.7Very high92.5Very high15 Ų1568.8 Ų68.87%0.0735%0.348CS..Hα-helixtrans-61.1-39.3174.9-78.1-178-31.300112.1P147 P149 M252 V270 A271 L278P147-Q274 PolarHBondContact O-NE2 3.42Å; P149-Q274 HydrophobicContact CG-CB 4.3Å; P149-Q274 HydrophobicContact CG-CG 3.5Å; M252-Q274 HydrophobicContact CE-CB 3.99Å; M252-Q274 HydrophobicContact CE-CG 4.25Å; V270-Q274 HydrophobicContact CG1-CG 4.01Å; V270-Q274 WeakPolarHBondContact O-CB 3.21Å; V270-Q274 WeakPolarHBondContact O-CG 3.46Å; V270-Q274 PolarHBondContact O-N 2.74Å; A271-Q274 PolarHBondContact O-N 2.98Å; Q274-L278 WeakPolarHBondContact O-CB 3.39Å; Q274-L278 PolarHBondContact O-N 3.14Å
275K92.1Very high92.4Very high145 Ų14562.6 Ų62.663%0.6332%0.323SS*.Hα-helixtrans-67.5-42.6177.1-175.8-179.1177.8-174.20112.1A271 E272 H273 K279A271-K275 WeakPolarHBondContact O-CB 3.5Å; A271-K275 PolarHBondContact O-N 2.81Å; E272-K275 PolarHBondContact O-N 3.23Å; H273-K275 VanDerWaalsContact C-N 3.31Å; H273-K275 PolarHBondContact O-N 2.94Å; K275-K279 PolarHBondContact O-N 3.04Å
276R92Very high92.3Very high97 Ų9762 Ų6237%0.36632%0.323SS..Hα-helixtrans-61.9-52.1174.3-173.7-173.3-53.8139.43.6110.6D151 E272 H273 L278 K279 E280D151-R276 IonicContact OD2-CZ 3.76Å; D151-R276 IonicContact OD2-NH1 3.78Å; D151-R276 PolarHBondContact OD2-NH1 2.94Å; E272-R276 PolarHBondContact O-N 3.3Å; H273-R276 PolarHBondContact CE1-NH1 3.43Å; H273-R276 PolarHBondContact O-N 3.43Å; R276-L278 PolarHBondContact O-N 3.43Å; R276-K279 PolarHBondContact O-N 2.9Å; R276-K279 VanDerWaalsContact O-N 3.11Å; R276-E280 HydrophobicContact CG-CG 4.41Å; R276-E280 WeakPolarHBondContact CG-OE1 3.4Å; R276-E280 WeakPolarHBondContact O-CG 3.48Å; R276-E280 PolarHBondContact O-N 3.41Å
277F88.4Confident92.3Very high10 Ų1066 Ų664%0.04434%0.341CS..Hα-helixtrans-50-51.9175.9161.6-109.1000112.4R129 L144 P147 M252 H273 K279 E280 S281 Y282R129-F277 VanDerWaalsContact NH1-CE2 3.28Å; L144-F277 HydrophobicContact CD1-CE1 4.41Å; L144-F277 HydrophobicContact CD1-CZ 4.21Å; P147-F277 HydrophobicContact CB-CE1 4.3Å; P147-F277 HydrophobicContact CG-CD1 4.43Å; P147-F277 HydrophobicContact CG-CE1 3.83Å; M252-F277 HydrophobicContact CE-CD1 4.23Å; M252-F277 HydrophobicContact CE-CE1 4.39Å; M252-F277 HydrophobicContact SD-CD1 4.13Å; M252-F277 HydrophobicContact SD-CE1 3.92Å; H273-F277 WeakPolarHBondContact O-CB 3.24Å; H273-F277 PolarHBondContact O-N 3.35Å; F277-K279 VanDerWaalsContact C-N 3.33Å; F277-K279 PolarHBondContact O-N 2.85Å; F277-E280 PolarHBondContact O-N 3.18Å; F277-S281 VanDerWaalsContact O-CB 3.27Å; F277-S281 WeakPolarHBondContact O-CB 3.23Å; F277-S281 PolarHBondContact O-N 3.35Å; F277-S281 PolarHBondContact O-OG 3.25Å; F277-Y282 HydrophobicContact CE1-CD2 4.43Å; F277-Y282 HydrophobicContact CE1-CE2 4.49Å; F277-Y282 HydrophobicContact CE2-CD2 4.32Å; F277-Y282 AromaticContact CE2-CE2 3.97Å; F277-Y282 HydrophobicContact CE2-CE2 3.97Å; F277-Y282 AromaticContact CZ-CD2 3.89Å; F277-Y282 HydrophobicContact CZ-CD2 3.89Å; F277-Y282 AromaticContact CZ-CE2 3.59Å; F277-Y282 HydrophobicContact CZ-CE2 3.59Å
278L88.8Confident92.2Very high24 Ų2467.1 Ų67.113%0.12635%0.348CS..Hα-helixtrans-59.9-44.4179.8177.864.1000111.6M252 Q274 R276 Y282 A285 H287M252-L278 HydrophobicContact CB-CD1 4.16Å; M252-L278 HydrophobicContact SD-CB 4.08Å; M252-L278 HydrophobicContact SD-CD1 3.83Å; M252-L278 HydrophobicContact SD-CD2 4.47Å; M252-L278 HydrophobicContact SD-CG 4.34Å; Q274-L278 WeakPolarHBondContact O-CB 3.39Å; Q274-L278 PolarHBondContact O-N 3.14Å; R276-L278 PolarHBondContact O-N 3.43Å; L278-Y282 CarbonylContact O-C 3.6Å; L278-Y282 WeakPolarHBondContact O-CA 3.13Å; L278-Y282 PolarHBondContact O-N 3.22Å; L278-Y282 VanDerWaalsContact O-O 3.1Å; L278-A285 HydrophobicContact CD1-CB 3.77Å; L278-H287 HydrophobicContact CD2-CB 3.77Å
279K89.8Confident92.3Very high167 Ų16766.2 Ų66.273%0.72634%0.344SS*.Hα-helixtrans-66.5-38.9-178.6-173-177.5177.2-171.10112.6K275 R276 F277K275-K279 PolarHBondContact O-N 3.04Å; R276-K279 PolarHBondContact O-N 2.9Å; R276-K279 VanDerWaalsContact O-N 3.11Å; F277-K279 VanDerWaalsContact C-N 3.33Å; F277-K279 PolarHBondContact O-N 2.85Å
280E88.3Confident92.2Very high138 Ų13865.7 Ų65.765%0.64534%0.342SS*.Hα-helixtrans-86-44.2-174.3-69.4174.9-174.500112.5R276 F277R276-E280 HydrophobicContact CG-CG 4.41Å; R276-E280 WeakPolarHBondContact CG-OE1 3.4Å; R276-E280 WeakPolarHBondContact O-CG 3.48Å; R276-E280 PolarHBondContact O-N 3.41Å; F277-E280 PolarHBondContact O-N 3.18Å
281S86.5Confident92.1Very high41 Ų4173.8 Ų73.829%0.28738%0.376SS..Hα-helixtrans-85.5-37-175.7-620000112.8F277F277-S281 VanDerWaalsContact O-CB 3.27Å; F277-S281 WeakPolarHBondContact O-CB 3.23Å; F277-S281 PolarHBondContact O-N 3.35Å; F277-S281 PolarHBondContact O-OG 3.25Å
282Y89.9Confident92Very high15 Ų1573.2 Ų73.26%0.05938%0.376CS..  trans-139.663.8-172.5-54.4-62.4000113R129 L144 L244 V250 F277 L278 S284 A285R129-Y282 PolarHBondContact NE-OH 3.26Å; L144-Y282 HydrophobicContact CD1-CD2 4.29Å; L144-Y282 HydrophobicContact CD1-CE2 3.86Å; L244-Y282 HydrophobicContact CB-CE1 4.29Å; L244-Y282 HydrophobicContact CD2-CD1 4.21Å; L244-Y282 HydrophobicContact CD2-CE1 3.49Å; L244-Y282 VanDerWaalsContact CD2-CE1 3.49Å; L244-Y282 HydrophobicContact CG-CE1 4.48Å; V250-Y282 HydrophobicContact CB-CD1 4.39Å; V250-Y282 HydrophobicContact CG1-CD1 4.15Å; V250-Y282 HydrophobicContact CG1-CD2 4.18Å; V250-Y282 HydrophobicContact CG1-CG 3.95Å; V250-Y282 HydrophobicContact CG2-CD1 3.92Å; V250-Y282 HydrophobicContact CG2-CE1 4.18Å; F277-Y282 HydrophobicContact CE1-CD2 4.43Å; F277-Y282 HydrophobicContact CE1-CE2 4.49Å; F277-Y282 HydrophobicContact CE2-CD2 4.32Å; F277-Y282 AromaticContact CE2-CE2 3.97Å; F277-Y282 HydrophobicContact CE2-CE2 3.97Å; F277-Y282 AromaticContact CZ-CD2 3.89Å; F277-Y282 HydrophobicContact CZ-CD2 3.89Å; F277-Y282 AromaticContact CZ-CE2 3.59Å; F277-Y282 HydrophobicContact CZ-CE2 3.59Å; L278-Y282 CarbonylContact O-C 3.6Å; L278-Y282 WeakPolarHBondContact O-CA 3.13Å; L278-Y282 PolarHBondContact O-N 3.22Å; L278-Y282 VanDerWaalsContact O-O 3.1Å; Y282-S284 PolarHBondContact O-N 3.48Å; Y282-A285 VanDerWaalsContact O-CB 3.3Å; Y282-A285 WeakPolarHBondContact O-CB 3.47Å; Y282-A285 PolarHBondContact O-N 3.44Å
283P87.4Confident92Very high110 Ų11068 Ų6871%0.71435%0.352SS*.THydrogen-bonded Turntrans-60.9-23.3-175.724.3-35.1000114.1
284S89Confident92Very high119 Ų11967.9 Ų67.983%0.83235%0.351SS*.THydrogen-bonded Turntrans-98.96.3177.462.90000113.8Y282Y282-S284 PolarHBondContact O-N 3.48Å
285A92.6Very high92Very high18 Ų1868.7 Ų68.715%0.14935%0.354CS..  trans-67.7144.2-179.300000111.9V250 L278 Y282 H287V250-A285 HydrophobicContact CB-CB 4.02Å; V250-A285 HydrophobicContact CG1-CB 3.94Å; V250-A285 VanDerWaalsContact O-CA 3.29Å; V250-A285 WeakPolarHBondContact O-CA 3.35Å; V250-A285 WeakPolarHBondContact O-CB 3.49Å; L278-A285 HydrophobicContact CD1-CB 3.77Å; Y282-A285 VanDerWaalsContact O-CB 3.3Å; Y282-A285 WeakPolarHBondContact O-CB 3.47Å; Y282-A285 PolarHBondContact O-N 3.44Å; A285-H287 PolarHBondContact O-N 2.94Å
286N94.7Very high92.1Very high80 Ų8063.1 Ų63.143%0.42833%0.329SS..EExtended strand (participates in β ladder)trans-77.3102.9170.9-179.525.2000109.5V250 S251 M252V250-N286 PolarHBondContact O-N 3.21Å; S251-N286 CarbonylContact C-O 3.58Å; S251-N286 VanDerWaalsContact CA-O 3.31Å; S251-N286 WeakPolarHBondContact CA-O 3.11Å; M252-N286 PolarHBondContact N-O 3.17Å
287H95.4Very high92.2Very high86 Ų8658.5 Ų58.540%0.39831%0.311SS..EExtended strand (participates in β ladder)trans-88.6124.5177.8-175.9-143.1000111.3M252 T254 L278 A285M252-H287 CarbonylContact O-C 3.58Å; M252-H287 WeakPolarHBondContact O-CA 3.32Å; M252-H287 PolarHBondContact O-CD2 3.29Å; T254-H287 PolarHBondContact OG1-NE2 3.49Å; L278-H287 HydrophobicContact CD2-CB 3.77Å; A285-H287 PolarHBondContact O-N 2.94Å
288V95.6Very high92.5Very high39 Ų3958 Ų5824%0.23631%0.309CS..EExtended strand (participates in β ladder)trans-119.7113.3-179.6179.80000109.5M252 L253 T254 I290M252-V288 PolarHBondContact O-N 3.16Å; L253-V288 WeakPolarHBondContact CA-O 3.44Å; L253-V288 HydrophobicContact CG-CB 4.2Å; T254-V288 PolarHBondContact N-O 3.13Å; T254-V288 VanDerWaalsContact N-O 3.1Å; V288-I290 HydrophobicContact CG1-CG1 4.43Å
289H96Very high92.6Very high93 Ų9358.3 Ų58.343%0.43131%0.309SS..EExtended strand (participates in β ladder)trans-88.1122.1175.8-170.378.3000111.3G255 D256G255-H289 PolarHBondContact O-CE1 2.92Å; D256-H289 IonicContact OD1-CD2 3.68Å; D256-H289 IonicContact OD1-CE1 2.58Å; D256-H289 PolarHBondContact OD1-CE1 2.96Å; D256-H289 IonicContact OD1-NE2 2.79Å; D256-H289 PolarHBondContact OD1-NE2 3.44Å
290I95.6Very high92.7Very high16 Ų1655.5 Ų55.58%0.08230%0.297CS..  trans-101.8102.8179.3-57.2179.8000109.1L253 T254 V288 A293 M297 K301 A304 I305L253-I290 HydrophobicContact CB-CD1 4.39Å; L253-I290 HydrophobicContact CD2-CD1 4.05Å; L253-I290 HydrophobicContact CG-CD1 4.47Å; T254-I290 PolarHBondContact O-N 2.83Å; V288-I290 HydrophobicContact CG1-CG1 4.43Å; I290-A293 HydrophobicContact CB-CB 3.98Å; I290-A293 HydrophobicContact CG2-CB 3.66Å; I290-A293 WeakPolarHBondContact O-CB 3.41Å; I290-A293 PolarHBondContact O-N 3.41Å; I290-M297 HydrophobicContact CD1-SD 3.7Å; I290-K301 HydrophobicContact CG2-CD 4.2Å; I290-A304 HydrophobicContact CD1-CB 3.93Å; I290-A304 HydrophobicContact CG1-CB 4.45Å; I290-A304 HydrophobicContact CG2-CB 3.99Å; I290-I305 HydrophobicContact CD1-CD1 3.43Å; I290-I305 VanDerWaalsContact CD1-CD1 3.43Å
291K94.2Very high93Very high170 Ų17052.4 Ų52.474%0.73928%0.281SS*.THydrogen-bonded Turntrans-56.8138.8-179.7-66.9-173.1176.9-176.10112.3A293 K301K291-A293 PolarHBondContact O-N 3.04Å; K291-K301 PolarHBondContact O-NZ 3.17Å
292G92.7Very high93.4Very high36 Ų3651.5 Ų51.537%0.37127%0.274SS..THydrogen-bonded Turntrans62.326.9178.600000113.8D256 K301D256-G292 VanDerWaalsContact CG-N 3.31Å; D256-G292 WeakPolarHBondContact OD2-CA 3.42Å; D256-G292 PolarHBondContact OD2-N 2.97Å; G292-K301 WeakPolarHBondContact O-CE 2.97Å; G292-K301 PolarHBondContact O-NZ 2.64Å
293A94.3Very high93.6Very high4 Ų454.6 Ų54.63%0.03330%0.298CS..  trans-115.5160-178.400000111G255 D256 I290 K291 M297 K301G255-A293 CarbonylContact C-O 3.45Å; G255-A293 VanDerWaalsContact CA-O 3.23Å; G255-A293 WeakPolarHBondContact CA-O 3.28Å; D256-A293 PolarHBondContact N-O 3.35Å; I290-A293 HydrophobicContact CB-CB 3.98Å; I290-A293 HydrophobicContact CG2-CB 3.66Å; I290-A293 WeakPolarHBondContact O-CB 3.41Å; I290-A293 PolarHBondContact O-N 3.41Å; K291-A293 PolarHBondContact O-N 3.04Å; A293-M297 HydrophobicContact CB-CB 4.01Å; A293-M297 HydrophobicContact CB-CE 3.91Å; A293-K301 HydrophobicContact CB-CD 4.01Å
294D94.6Very high93.9Very high2 Ų250.9 Ų50.91%0.01128%0.276CS..  trans-136.3-172.9169.468.1-2.2000109.6S257 E260 R296 M297S257-D294 VanDerWaalsContact O-CA 3.24Å; S257-D294 WeakPolarHBondContact O-CA 3.32Å; S257-D294 WeakPolarHBondContact O-CB 3.17Å; E260-D294 HydrophobicContact CG-CB 4.1Å; E260-D294 WeakPolarHBondContact CG-OD2 3.49Å; E260-D294 PolarHBondContact N-OD2 3.33Å; D294-R296 PolarHBondContact O-N 3.3Å; D294-R296 VanDerWaalsContact OD1-CB 3.23Å; D294-R296 WeakPolarHBondContact OD1-CB 3.32Å; D294-R296 PolarHBondContact OD1-N 3.44Å; D294-R296 VanDerWaalsContact OD1-N 3.11Å; D294-R296 IonicContact OD1-NE 3.09Å; D294-R296 PolarHBondContact OD1-NE 2.91Å; D294-R296 IonicContact OD2-CZ 3.43Å; D294-R296 IonicContact OD2-NE 3.78Å; D294-R296 PolarHBondContact OD2-NE 2.94Å; D294-R296 IonicContact OD2-NH2 3.79Å; D294-R296 PolarHBondContact OD2-NH2 2.87Å; D294-M297 VanDerWaalsContact O-CB 3.24Å; D294-M297 WeakPolarHBondContact O-CB 3.48Å; D294-M297 WeakPolarHBondContact O-CE 3.48Å; D294-M297 WeakPolarHBondContact O-CG 3.48Å; D294-M297 PolarHBondContact O-N 3.18Å
295R93.6Very high94.3Very high33 Ų3345.2 Ų45.213%0.12524%0.237CC..THydrogen-bonded Turntrans-48.7-18.2179.266-172.8-85.2-152.17.8115.5E122 D146 F258 D259 M297E122-R295 HydrophobicContact CG-CB 4.48Å; E122-R295 IonicContact OE1-CZ 2.8Å; E122-R295 IonicContact OE1-NE 2.65Å; E122-R295 PolarHBondContact OE1-NE 2.96Å; E122-R295 IonicContact OE1-NH2 3.42Å; E122-R295 PolarHBondContact OE1-NH2 2.91Å; E122-R295 IonicContact OE2-CZ 3.11Å; E122-R295 VanDerWaalsContact OE2-CZ 3.27Å; E122-R295 IonicContact OE2-NE 2.81Å; E122-R295 PolarHBondContact OE2-NE 3.23Å; E122-R295 IonicContact OE2-NH2 3.05Å; E122-R295 PolarHBondContact OE2-NH2 3.47Å; D146-R295 HydrophobicContact CB-CB 4.31Å; D146-R295 VanDerWaalsContact OD2-CA 3.24Å; D146-R295 WeakPolarHBondContact OD2-CA 3.15Å; D146-R295 PolarHBondContact OD2-N 2.83Å; F258-R295 HydrophobicContact CE2-CB 4.46Å; F258-R295 WeakPolarHBondContact O-CB 3.4Å; F258-R295 WeakPolarHBondContact O-CD 3.38Å; F258-R295 WeakPolarHBondContact O-CG 3.33Å; F258-R295 PolarHBondContact O-N 2.98Å; D259-R295 HydrophobicContact CB-CG 4.3Å; D259-R295 WeakPolarHBondContact OD2-CD 3.41Å; D259-R295 IonicContact OD2-CZ 2.74Å; D259-R295 IonicContact OD2-NE 2.72Å; D259-R295 IonicContact OD2-NH1 3.61Å; D259-R295 PolarHBondContact OD2-NH1 3.28Å; R295-M297 VanDerWaalsContact C-N 3.25Å; R295-M297 PolarHBondContact O-N 2.96Å
296R94.4Very high94.5Very high27 Ų2744.6 Ų44.610%0.10223%0.232CC..THydrogen-bonded Turntrans-87.15.5-179.7-53.2179.7-78.7-166.8-7.2112.2E260 Q261 D294 I298 Y299 K300E260-R296 IonicContact OE2-NH2 3.55Å; E260-R296 PolarHBondContact OE2-NH2 3.38Å; Q261-R296 VanDerWaalsContact CD-NH1 3.33Å; D294-R296 PolarHBondContact O-N 3.3Å; D294-R296 VanDerWaalsContact OD1-CB 3.23Å; D294-R296 WeakPolarHBondContact OD1-CB 3.32Å; D294-R296 PolarHBondContact OD1-N 3.44Å; D294-R296 VanDerWaalsContact OD1-N 3.11Å; D294-R296 IonicContact OD1-NE 3.09Å; D294-R296 PolarHBondContact OD1-NE 2.91Å; D294-R296 IonicContact OD2-CZ 3.43Å; D294-R296 IonicContact OD2-NE 3.78Å; D294-R296 PolarHBondContact OD2-NE 2.94Å; D294-R296 IonicContact OD2-NH2 3.79Å; D294-R296 PolarHBondContact OD2-NH2 2.87Å; R296-I298 PolarHBondContact O-N 3.41Å; R296-I298 VanDerWaalsContact O-N 3.16Å; R296-Y299 HydrophobicContact CB-CE1 4.18Å; R296-Y299 HydrophobicContact CB-CE2 3.68Å; R296-Y299 VanDerWaalsContact CB-CZ 3.45Å; R296-Y299 WeakPolarHBondContact CB-OH 3.42Å; R296-Y299 WeakPolarHBondContact CD-OH 3.48Å; R296-Y299 HydrophobicContact CG-CE2 4.35Å; R296-Y299 WeakPolarHBondContact CG-OH 3.23Å; R296-Y299 PolarHBondContact O-N 2.83Å; R296-Y299 VanDerWaalsContact O-N 3.15Å; R296-K300 HydrophobicContact CB-CD 3.97Å; R296-K300 HydrophobicContact CB-CG 4.08Å; R296-K300 WeakPolarHBondContact O-CB 3.44Å; R296-K300 PolarHBondContact O-N 3.22Å
297M94.6Very high94.6Very high0 Ų047.3 Ų47.30%024%0.242CC..Hα-helixtrans-58.5-27.5-174.863.5174.569.800114.3I145 D146 I290 A293 D294 R295 Y299 K301 I305I145-M297 HydrophobicContact CG2-CG 3.81Å; I145-M297 HydrophobicContact CG2-SD 3.57Å; I145-M297 VanDerWaalsContact CG2-SD 3.57Å; D146-M297 WeakPolarHBondContact OD2-CE 3.42Å; I290-M297 HydrophobicContact CD1-SD 3.7Å; A293-M297 HydrophobicContact CB-CB 4.01Å; A293-M297 HydrophobicContact CB-CE 3.91Å; D294-M297 VanDerWaalsContact O-CB 3.24Å; D294-M297 WeakPolarHBondContact O-CB 3.48Å; D294-M297 WeakPolarHBondContact O-CE 3.48Å; D294-M297 WeakPolarHBondContact O-CG 3.48Å; D294-M297 PolarHBondContact O-N 3.18Å; R295-M297 VanDerWaalsContact C-N 3.25Å; R295-M297 PolarHBondContact O-N 2.96Å; M297-Y299 PolarHBondContact O-N 3.09Å; M297-K301 CarbonylContact O-C 3.05Å; M297-K301 VanDerWaalsContact O-CA 3.28Å; M297-K301 WeakPolarHBondContact O-CA 3.32Å; M297-K301 PolarHBondContact O-N 3.05Å; M297-I305 HydrophobicContact CG-CD1 4Å; M297-I305 HydrophobicContact SD-CD1 3.69Å
298I94.4Very high94.7Very high0 Ų044.2 Ų44.20%023%0.227CC..Hα-helixtrans-60-29.3179.269.1-179.5000112.2P44 V51 W52 I145 R296 P302P44-I298 HydrophobicContact CG-CD1 3.45Å; P44-I298 VanDerWaalsContact CG-CD1 3.45Å; V51-I298 HydrophobicContact CB-CD1 3.8Å; V51-I298 HydrophobicContact CB-CG1 4.4Å; V51-I298 HydrophobicContact CG2-CD1 3.59Å; W52-I298 HydrophobicContact CE3-CB 4.24Å; W52-I298 HydrophobicContact CH2-CB 4.23Å; W52-I298 HydrophobicContact CH2-CG2 3.66Å; W52-I298 HydrophobicContact CZ2-CD1 4.34Å; W52-I298 HydrophobicContact CZ2-CG2 4.33Å; W52-I298 HydrophobicContact CZ3-CB 3.91Å; W52-I298 HydrophobicContact CZ3-CG2 3.75Å; I145-I298 HydrophobicContact CD1-CG2 3.91Å; I145-I298 HydrophobicContact CG2-CG2 4.02Å; R296-I298 PolarHBondContact O-N 3.41Å; R296-I298 VanDerWaalsContact O-N 3.16Å; I298-P302 WeakPolarHBondContact O-CB 3.47Å
299Y91.8Very high94.8Very high31 Ų3142.5 Ų42.512%0.12222%0.217CC..Hα-helixtrans-119.7-19.8177.155.3-99.1000114.8M47 V51 L194 L195 R296 M297M47-Y299 HydrophobicContact CE-CE1 3.91Å; M47-Y299 HydrophobicContact SD-CE1 4.42Å; V51-Y299 HydrophobicContact CB-CD1 4.08Å; V51-Y299 HydrophobicContact CG1-CD1 4.25Å; V51-Y299 HydrophobicContact CG1-CE1 4.48Å; L194-Y299 HydrophobicContact CD1-CE2 3.76Å; L194-Y299 WeakPolarHBondContact CD1-OH 3.43Å; L194-Y299 HydrophobicContact CD2-CD1 4.22Å; L194-Y299 HydrophobicContact CD2-CD2 4.35Å; L194-Y299 HydrophobicContact CD2-CE1 3.7Å; L194-Y299 HydrophobicContact CD2-CE2 3.79Å; L194-Y299 VanDerWaalsContact CD2-CZ 3.45Å; L194-Y299 HydrophobicContact CG-CD2 4.25Å; L194-Y299 HydrophobicContact CG-CE1 4.48Å; L194-Y299 HydrophobicContact CG-CE2 3.65Å; L195-Y299 HydrophobicContact CD2-CD2 4.39Å; L195-Y299 HydrophobicContact CD2-CG 4Å; R296-Y299 HydrophobicContact CB-CE1 4.18Å; R296-Y299 HydrophobicContact CB-CE2 3.68Å; R296-Y299 VanDerWaalsContact CB-CZ 3.45Å; R296-Y299 WeakPolarHBondContact CB-OH 3.42Å; R296-Y299 WeakPolarHBondContact CD-OH 3.48Å; R296-Y299 HydrophobicContact CG-CE2 4.35Å; R296-Y299 WeakPolarHBondContact CG-OH 3.23Å; R296-Y299 PolarHBondContact O-N 2.83Å; R296-Y299 VanDerWaalsContact O-N 3.15Å; M297-Y299 PolarHBondContact O-N 3.09Å
300K92.2Very high94.9Very high107 Ų10742 Ų4247%0.46521%0.211SC..Hα-helixtrans-82.3-31.5170.5-74.7-168.2175.8-177.90113.1E260 R296 P302E260-K300 IonicContact OE2-NZ 2.77Å; E260-K300 PolarHBondContact OE2-NZ 2.88Å; R296-K300 HydrophobicContact CB-CD 3.97Å; R296-K300 HydrophobicContact CB-CG 4.08Å; R296-K300 WeakPolarHBondContact O-CB 3.44Å; R296-K300 PolarHBondContact O-N 3.22Å; K300-P302 VanDerWaalsContact C-CD 3.45Å
301K93.9Very high95Very high74 Ų7447.3 Ų47.332%0.32223%0.234SC..SBendtrans-134.350.8179.5-61.3-159.5-177.6-169.70112.5I290 K291 G292 A293 M297 S303 A304I290-K301 HydrophobicContact CG2-CD 4.2Å; K291-K301 PolarHBondContact O-NZ 3.17Å; G292-K301 WeakPolarHBondContact O-CE 2.97Å; G292-K301 PolarHBondContact O-NZ 2.64Å; A293-K301 HydrophobicContact CB-CD 4.01Å; M297-K301 CarbonylContact O-C 3.05Å; M297-K301 VanDerWaalsContact O-CA 3.28Å; M297-K301 WeakPolarHBondContact O-CA 3.32Å; M297-K301 PolarHBondContact O-N 3.05Å; K301-S303 PolarHBondContact O-N 3.42Å; K301-A304 PolarHBondContact O-N 3.29Å; K301-A304 VanDerWaalsContact O-N 3.13Å
302P94.1Very high95.1Very high21 Ų2139.8 Ų39.814%0.13620%0.202CC..Hα-helixtrans-59.5-28.4-173.325-35.1000113.2H54 V55 I298 K300 A304 I305 S306H54-P302 HydrophobicContact CB-CB 3.54Å; H54-P302 HydrophobicContact CB-CG 3.82Å; V55-P302 HydrophobicContact CG2-CB 4.15Å; I298-P302 WeakPolarHBondContact O-CB 3.47Å; K300-P302 VanDerWaalsContact C-CD 3.45Å; P302-A304 PolarHBondContact O-N 3.05Å; P302-I305 PolarHBondContact O-N 2.65Å; P302-S306 VanDerWaalsContact O-CB 3.32Å; P302-S306 WeakPolarHBondContact O-CB 3.38Å; P302-S306 PolarHBondContact O-N 2.8Å; P302-S306 PolarHBondContact O-OG 3.43Å
303S94.5Very high95.3Very high81 Ų8138.1 Ų38.157%0.56618%0.184SC*.Hα-helixtrans-61.9-40.1179.3-56.40000112.8K301 S306 Q307K301-S303 PolarHBondContact O-N 3.42Å; S303-S306 PolarHBondContact O-N 3.38Å; S303-Q307 WeakPolarHBondContact O-CB 3.47Å; S303-Q307 WeakPolarHBondContact O-CG 3.32Å; S303-Q307 PolarHBondContact O-N 2.77Å
304A94.8Very high95.4Very high31 Ų3139.9 Ų39.926%0.25620%0.196SC..Hα-helixtrans-65.9-43.4179.300000111I290 K301 P302 H308I290-A304 HydrophobicContact CD1-CB 3.93Å; I290-A304 HydrophobicContact CG1-CB 4.45Å; I290-A304 HydrophobicContact CG2-CB 3.99Å; K301-A304 PolarHBondContact O-N 3.29Å; K301-A304 VanDerWaalsContact O-N 3.13Å; P302-A304 PolarHBondContact O-N 3.05Å; A304-H308 PolarHBondContact O-N 3.38Å; A304-H308 VanDerWaalsContact O-N 3.14Å
305I96.6Very high95.3Very high0 Ų045 Ų450%022%0.22CC..Hα-helixtrans-64.1-48.8176.9-48.9-50.8000110.4W52 V55 I145 L253 I290 M297 P302 Q307 H308 L309W52-I305 HydrophobicContact CZ3-CG2 4.34Å; V55-I305 HydrophobicContact CG1-CG2 4.46Å; V55-I305 HydrophobicContact CG2-CB 4.25Å; V55-I305 HydrophobicContact CG2-CG2 4.27Å; I145-I305 HydrophobicContact CD1-CD1 4.22Å; I145-I305 HydrophobicContact CD1-CG2 3.62Å; L253-I305 HydrophobicContact CD2-CD1 3.6Å; I290-I305 HydrophobicContact CD1-CD1 3.43Å; I290-I305 VanDerWaalsContact CD1-CD1 3.43Å; M297-I305 HydrophobicContact CG-CD1 4Å; M297-I305 HydrophobicContact SD-CD1 3.69Å; P302-I305 PolarHBondContact O-N 2.65Å; I305-Q307 VanDerWaalsContact C-N 3.34Å; I305-Q307 PolarHBondContact O-N 2.68Å; I305-H308 PolarHBondContact O-N 2.94Å; I305-L309 HydrophobicContact CG2-CD1 3.89Å; I305-L309 HydrophobicContact CG2-CG 4.4Å; I305-L309 WeakPolarHBondContact O-CG 3.38Å; I305-L309 PolarHBondContact O-N 3.05Å
306S96.9Very high95.3Very high6 Ų648.5 Ų48.54%0.04223%0.233CC..Hα-helixtrans-62.4-40.5-178.7-55.30000112P302 S303 W310P302-S306 VanDerWaalsContact O-CB 3.32Å; P302-S306 WeakPolarHBondContact O-CB 3.38Å; P302-S306 PolarHBondContact O-N 2.8Å; P302-S306 PolarHBondContact O-OG 3.43Å; S303-S306 PolarHBondContact O-N 3.38Å; S306-W310 WeakPolarHBondContact O-CB 3.14Å; S306-W310 PolarHBondContact O-N 2.69Å
307Q96.9Very high95.2Very high136 Ų13650.6 Ų50.664%0.63624%0.244SC*.Hα-helixtrans-64.3-42.8176.9-76.9171.40.100112S303 I305 W310 K311S303-Q307 WeakPolarHBondContact O-CB 3.47Å; S303-Q307 WeakPolarHBondContact O-CG 3.32Å; S303-Q307 PolarHBondContact O-N 2.77Å; I305-Q307 VanDerWaalsContact C-N 3.34Å; I305-Q307 PolarHBondContact O-N 2.68Å; Q307-W310 PolarHBondContact O-N 3.48Å; Q307-K311 PolarHBondContact O-N 3.25Å; Q307-K311 VanDerWaalsContact O-N 3.08Å
308H97.1Very high94.8Very high21 Ų2154.8 Ų54.810%0.09728%0.278CS..Hα-helixtrans-62.4-50.8176.6-177.383.6000111.3S251 L253 A304 I305 W310 K311 L312S251-H308 WeakPolarHBondContact CB-NE2 3.44Å; S251-H308 PolarHBondContact OG-NE2 3.15Å; L253-H308 HydrophobicContact CD2-CB 4.33Å; A304-H308 PolarHBondContact O-N 3.38Å; A304-H308 VanDerWaalsContact O-N 3.14Å; I305-H308 PolarHBondContact O-N 2.94Å; H308-W310 VanDerWaalsContact C-N 3.32Å; H308-W310 PolarHBondContact O-N 2.71Å; H308-K311 WeakPolarHBondContact O-CB 3.37Å; H308-K311 PolarHBondContact O-N 3.11Å; H308-L312 WeakPolarHBondContact NE2-CD1 3.18Å; H308-L312 PolarHBondContact O-N 2.9Å; H308-L312 VanDerWaalsContact O-N 3.13Å
309L97.9Very high93.8Very high3 Ų356.2 Ų56.22%0.01629%0.293CS..Hα-helixtrans-62.6-39.6178.8-68.3176.4000111.9V55 L59 V119 V143 I305 K311 L312 V313V55-L309 HydrophobicContact CG1-CD1 3.79Å; L59-L309 HydrophobicContact CD1-CB 3.58Å; L59-L309 HydrophobicContact CD1-CD1 3.55Å; L59-L309 HydrophobicContact CD1-CG 4.21Å; L59-L309 HydrophobicContact CD2-CB 3.9Å; L59-L309 HydrophobicContact CG-CB 4.34Å; V119-L309 HydrophobicContact CG1-CD1 4.13Å; V119-L309 HydrophobicContact CG1-CD2 4.22Å; V119-L309 HydrophobicContact CG2-CD1 4.26Å; V119-L309 HydrophobicContact CG2-CD2 3.63Å; V143-L309 HydrophobicContact CB-CD2 4.21Å; V143-L309 HydrophobicContact CG1-CD2 4.01Å; V143-L309 HydrophobicContact CG2-CD2 3.84Å; I305-L309 HydrophobicContact CG2-CD1 3.89Å; I305-L309 HydrophobicContact CG2-CG 4.4Å; I305-L309 WeakPolarHBondContact O-CG 3.38Å; I305-L309 PolarHBondContact O-N 3.05Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 2.81Å; L309-L312 PolarHBondContact O-N 3.34Å; L309-V313 WeakPolarHBondContact O-CG2 3.49Å; L309-V313 PolarHBondContact O-N 3.28Å
310W97.8Very high91.9Very high82 Ų8260.8 Ų60.831%0.31133%0.327SS..Hα-helixtrans-57.5-47.4175.4-171.1-62.8000110.9K58 L59 S61 L62 S306 Q307 H308 L312 V313 S314K58-W310 HydrophobicContact CD-CE3 4.38Å; K58-W310 HydrophobicContact CD-CZ3 4.05Å; K58-W310 HydrophobicContact CG-CE3 4.24Å; K58-W310 HydrophobicContact CG-CZ3 4.31Å; K58-W310 WeakPolarHBondContact O-CZ3 3.35Å; L59-W310 HydrophobicContact CD2-CB 4.08Å; L59-W310 HydrophobicContact CD2-CE3 4.4Å; S61-W310 VanDerWaalsContact OG-CH2 3.3Å; S61-W310 WeakPolarHBondContact OG-CH2 3.5Å; S61-W310 VanDerWaalsContact OG-CZ3 3.28Å; S61-W310 WeakPolarHBondContact OG-CZ3 3.22Å; L62-W310 HydrophobicContact CB-CH2 4.3Å; L62-W310 HydrophobicContact CB-CZ2 4.38Å; L62-W310 HydrophobicContact CB-CZ3 4.4Å; L62-W310 HydrophobicContact CD1-CZ2 4.33Å; L62-W310 HydrophobicContact CD2-CB 4.49Å; L62-W310 HydrophobicContact CD2-CD2 3.82Å; L62-W310 HydrophobicContact CD2-CE3 4.4Å; L62-W310 HydrophobicContact CD2-CG 3.85Å; L62-W310 HydrophobicContact CD2-CZ2 4.42Å; S306-W310 WeakPolarHBondContact O-CB 3.14Å; S306-W310 PolarHBondContact O-N 2.69Å; Q307-W310 PolarHBondContact O-N 3.48Å; H308-W310 VanDerWaalsContact C-N 3.32Å; H308-W310 PolarHBondContact O-N 2.71Å; W310-L312 VanDerWaalsContact C-N 3.35Å; W310-L312 PolarHBondContact O-N 3.11Å; W310-V313 PolarHBondContact O-N 3.36Å; W310-S314 PolarHBondContact NE1-OG 3.39Å; W310-S314 WeakPolarHBondContact O-CB 3.48Å; W310-S314 PolarHBondContact O-N 3.37Å; W310-S314 PolarHBondContact O-OG 3.05Å; W310-S314 VanDerWaalsContact O-OG 3.07Å
311K96.9Very high89.5Confident128 Ų12864 Ų6456%0.55734%0.343SS*.Hα-helixtrans-58.5-46.1177.7-176.9-178.5176.5-176.50111.5Q307 H308 L309 S314 Q315Q307-K311 PolarHBondContact O-N 3.25Å; Q307-K311 VanDerWaalsContact O-N 3.08Å; H308-K311 WeakPolarHBondContact O-CB 3.37Å; H308-K311 PolarHBondContact O-N 3.11Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 2.81Å; K311-S314 PolarHBondContact O-N 3.1Å; K311-Q315 WeakPolarHBondContact O-CB 3.37Å; K311-Q315 VanDerWaalsContact O-CG 3.23Å; K311-Q315 WeakPolarHBondContact O-CG 3.09Å; K311-Q315 PolarHBondContact O-N 3.22Å
312L96.2Very high86.7Confident13 Ų1366.2 Ų66.27%0.06837%0.368CS..Hα-helixtrans-62.3-47.7178.5-67.5-180000111.8V143 H308 L309 W310 S314 Q315 R316V143-L312 HydrophobicContact CG2-CD1 3.71Å; H308-L312 WeakPolarHBondContact NE2-CD1 3.18Å; H308-L312 PolarHBondContact O-N 2.9Å; H308-L312 VanDerWaalsContact O-N 3.13Å; L309-L312 PolarHBondContact O-N 3.34Å; W310-L312 VanDerWaalsContact C-N 3.35Å; W310-L312 PolarHBondContact O-N 3.11Å; L312-S314 PolarHBondContact O-N 3.14Å; L312-Q315 PolarHBondContact O-N 3.15Å; L312-R316 WeakPolarHBondContact O-CG 3.43Å; L312-R316 PolarHBondContact O-N 2.92Å
313V97.1Very high83.7Confident0 Ų077.8 Ų77.80%042%0.42CS..Hα-helixtrans-58.8-49.1177.41780000110.5V39 L62 T63 M117 L309 W310 Q315 R316 Q317V39-V313 HydrophobicContact CG2-CG2 4Å; L62-V313 HydrophobicContact CD2-CB 3.57Å; L62-V313 HydrophobicContact CD2-CG1 3.45Å; L62-V313 VanDerWaalsContact CD2-CG1 3.45Å; L62-V313 HydrophobicContact CD2-CG2 4.36Å; L62-V313 HydrophobicContact CG-CB 4.35Å; L62-V313 HydrophobicContact CG-CG1 3.66Å; T63-V313 HydrophobicContact CG2-CG1 3.81Å; T63-V313 HydrophobicContact CG2-CG2 4.09Å; M117-V313 HydrophobicContact CE-CB 4Å; M117-V313 HydrophobicContact CE-CG1 4.47Å; M117-V313 HydrophobicContact CE-CG2 3.19Å; L309-V313 WeakPolarHBondContact O-CG2 3.49Å; L309-V313 PolarHBondContact O-N 3.28Å; W310-V313 PolarHBondContact O-N 3.36Å; V313-Q315 VanDerWaalsContact C-N 3.31Å; V313-Q315 PolarHBondContact O-N 3.42Å; V313-R316 PolarHBondContact O-N 2.94Å; V313-R316 VanDerWaalsContact O-N 3.17Å; V313-Q317 HydrophobicContact CG1-CG 4.4Å; V313-Q317 WeakPolarHBondContact O-CG 3.31Å; V313-Q317 PolarHBondContact O-N 2.95Å
314S96.4Very high83.2Confident41 Ų4177.6 Ų77.629%0.28741%0.413SS..Hα-helixtrans-61.8-38.6-179.9-63.70000112.3W310 K311 L312 Q317 A318W310-S314 PolarHBondContact NE1-OG 3.39Å; W310-S314 WeakPolarHBondContact O-CB 3.48Å; W310-S314 PolarHBondContact O-N 3.37Å; W310-S314 PolarHBondContact O-OG 3.05Å; W310-S314 VanDerWaalsContact O-OG 3.07Å; K311-S314 PolarHBondContact O-N 3.1Å; L312-S314 PolarHBondContact O-N 3.14Å; S314-Q317 PolarHBondContact O-N 3.17Å; S314-A318 VanDerWaalsContact O-CB 3.31Å; S314-A318 WeakPolarHBondContact O-CB 3.3Å; S314-A318 PolarHBondContact O-N 3.12Å
315Q94.2Very high82.5Confident109 Ų10980.1 Ų80.151%0.50942%0.421SS..Hα-helixtrans-63.5-41.3175-75.3173.4-22.700112K311 L312 V313 A318 G319K311-Q315 WeakPolarHBondContact O-CB 3.37Å; K311-Q315 VanDerWaalsContact O-CG 3.23Å; K311-Q315 WeakPolarHBondContact O-CG 3.09Å; K311-Q315 PolarHBondContact O-N 3.22Å; L312-Q315 PolarHBondContact O-N 3.15Å; V313-Q315 VanDerWaalsContact C-N 3.31Å; V313-Q315 PolarHBondContact O-N 3.42Å; Q315-A318 PolarHBondContact O-N 3.16Å; Q315-G319 PolarHBondContact O-N 3.44Å
316R92.4Very high81.8Confident108 Ų10884.5 Ų84.541%0.40845%0.445SS..Hα-helixtrans-67.9-36.7176.8-69.4-62.9-172.51762.2112.8P37 S140 D141 L312 V313 A318P37-R316 HydrophobicContact CG-CB 4.09Å; P37-R316 HydrophobicContact CG-CG 4.47Å; S140-R316 PolarHBondContact O-NH2 2.58Å; D141-R316 IonicContact OD1-CZ 3.32Å; D141-R316 VanDerWaalsContact OD1-CZ 3.29Å; D141-R316 IonicContact OD1-NE 3.8Å; D141-R316 PolarHBondContact OD1-NE 3.36Å; D141-R316 IonicContact OD1-NH2 2.75Å; D141-R316 PolarHBondContact OD1-NH2 2.79Å; D141-R316 IonicContact OD2-CZ 3.66Å; D141-R316 IonicContact OD2-NE 3.09Å; D141-R316 PolarHBondContact OD2-NE 2.87Å; D141-R316 IonicContact OD2-NH2 3.78Å; D141-R316 PolarHBondContact OD2-NH2 3.39Å; L312-R316 WeakPolarHBondContact O-CG 3.43Å; L312-R316 PolarHBondContact O-N 2.92Å; V313-R316 PolarHBondContact O-N 2.94Å; V313-R316 VanDerWaalsContact O-N 3.17Å; R316-A318 VanDerWaalsContact C-N 3.35Å
317Q92Very high80.9Confident71 Ų7189.1 Ų89.133%0.33247%0.468SS..Hα-helixtrans-71.4-29.1175.9-72.5177.9-16.500113K36 L62 V313 S314K36-Q317 VanDerWaalsContact O-CG 3.31Å; K36-Q317 WeakPolarHBondContact O-CG 3.41Å; K36-Q317 PolarHBondContact O-NE2 3.25Å; L62-Q317 PolarHBondContact O-NE2 3.4Å; V313-Q317 HydrophobicContact CG1-CG 4.4Å; V313-Q317 WeakPolarHBondContact O-CG 3.31Å; V313-Q317 PolarHBondContact O-N 2.95Å; S314-Q317 PolarHBondContact O-N 3.17Å
318A87.8Confident79.9Confident87 Ų8786.2 Ų86.272%0.71946%0.458SS*.Hα-helixtrans-87.1-14.9177.900000114.1S314 Q315 R316S314-A318 VanDerWaalsContact O-CB 3.31Å; S314-A318 WeakPolarHBondContact O-CB 3.3Å; S314-A318 PolarHBondContact O-N 3.12Å; Q315-A318 PolarHBondContact O-N 3.16Å; R316-A318 VanDerWaalsContact C-N 3.35Å
319G73.4Confident78.7Confident30 Ų3090.5 Ų90.531%0.30948%0.482SS..SBendtrans-60.2157.3171.400000111.3Q315 Q321Q315-G319 PolarHBondContact O-N 3.44Å; G319-Q321 PolarHBondContact O-N 3.17Å
320P51.9Low77.4Confident127 Ų12796.8 Ų96.883%0.82552%0.515SS*.  trans-55.7115.7-174.221.1-30.1000109.6S322P320-S322 PolarHBondContact O-N 2.84Å
321Q41.5Very low75.8Confident175 Ų17597.9 Ų97.982%0.81853%0.531SS*.  trans-54.3111.8166.1-69.8-177.1-8.300105.6G319 E323G319-Q321 PolarHBondContact O-N 3.17Å; Q321-E323 PolarHBondContact O-N 3.39Å; Q321-E323 VanDerWaalsContact O-N 3.07Å
322S34.8Very low74Confident120 Ų12095.4 Ų95.484%0.83953%0.529SS*.  trans-59.8115.6174.2-31.10000106.7P320P320-S322 PolarHBondContact O-N 2.84Å
323E30.7Very low72Confident264 Ų264102.9 Ų102.9100%1.23457%0.571SS**  trans-49.90165.6-68.217715000111.8Q321Q321-E323 PolarHBondContact O-N 3.39Å; Q321-E323 VanDerWaalsContact O-N 3.07Å

Retrieved 323 of 323 residues in 90.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).