A0A087YM24_POEFO Loading...

DEAD/H (Asp-Glu-Ala-Asp/His) box helicase 11

AlphaFold DB , UniProt , Accession A0A087YM24, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 897 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.7Very low62.4Low237 Ų23793.5 Ų93.5100%1.16754%0.541SS*.  047.60-72178.4174.500109.8
2E32.5Very low64.2Low188 Ų18894.8 Ų94.888%0.87953%0.531SS*.  trans-110.81.4-162.8-82.4179151.600116.9
3N40.5Very low65.6Low149 Ų149101.7 Ų101.780%0.79755%0.552SS**  trans-104.753173.3-76-2000112.1
4G45.1Very low66.9Low57 Ų5796.1 Ų96.159%0.58852%0.524SS*.  trans-96.6126.2178.500000112.3A6G4-A6 PolarHBondContact O-N 3.41Å
5R60.2Low68Low71 Ų7194.4 Ų94.427%0.26851%0.507SS..  trans-51.9130.8165-174-178.4179.4138.92.3110S7 F8 S55 D59R5-S7 WeakPolarHBondContact CD-O 3.34Å; R5-S7 WeakPolarHBondContact CG-O 3.48Å; R5-S7 PolarHBondContact NE-O 3.44Å; R5-F8 HydrophobicContact CB-CZ 4.33Å; R5-S55 PolarHBondContact NH1-O 3.11Å; R5-D59 IonicContact CZ-OD1 2.76Å; R5-D59 IonicContact CZ-OD2 3.8Å; R5-D59 IonicContact NH1-OD1 2.87Å; R5-D59 PolarHBondContact NH1-OD1 3.44Å; R5-D59 IonicContact NH1-OD2 3.83Å; R5-D59 PolarHBondContact NH1-OD2 3.04Å
6A58.8Low69Low98 Ų9896.2 Ų96.281%0.8152%0.517SS*.SBendtrans-72.4-27.6-174.600000113.8G4G4-A6 PolarHBondContact O-N 3.41Å
7S76.5Confident70Confident87 Ų8792.5 Ų92.561%0.60850%0.497SS*.  trans-147.5138.3-177.1179.30000112.3R5R5-S7 WeakPolarHBondContact CD-O 3.34Å; R5-S7 WeakPolarHBondContact CG-O 3.48Å; R5-S7 PolarHBondContact NE-O 3.44Å
8F84.3Confident71Confident16 Ų1687.6 Ų87.67%0.0747%0.47CS..  trans-107.3129.7176.4-65.9-87.8000109.8R5 F10 M22 K23 Y26R5-F8 HydrophobicContact CB-CZ 4.33Å; F8-F10 PolarHBondContact O-N 3.4Å; F8-M22 HydrophobicContact CB-CE 3.89Å; F8-M22 HydrophobicContact CB-SD 3.71Å; F8-M22 HydrophobicContact CD1-CB 4.15Å; F8-M22 HydrophobicContact CD1-SD 4.39Å; F8-M22 HydrophobicContact CD2-CB 3.88Å; F8-M22 HydrophobicContact CD2-CE 4.25Å; F8-M22 HydrophobicContact CD2-SD 4.43Å; F8-M22 HydrophobicContact CE1-CB 4.17Å; F8-M22 HydrophobicContact CE2-CB 3.93Å; F8-M22 HydrophobicContact CG-CB 4.01Å; F8-M22 HydrophobicContact CG-CE 4.21Å; F8-M22 HydrophobicContact CG-SD 3.92Å; F8-M22 HydrophobicContact CZ-CB 4.06Å; F8-K23 HydrophobicContact CE2-CG 3.73Å; F8-K23 HydrophobicContact CZ-CG 4.28Å; F8-Y26 AromaticContact CE1-CD2 3.94Å; F8-Y26 HydrophobicContact CE1-CD2 3.94Å; F8-Y26 HydrophobicContact CE1-CG 4.4Å; F8-Y26 HydrophobicContact CZ-CD2 4.44Å; F8-Y26 HydrophobicContact CZ-CG 4.49Å
9P83.7Confident71.9Confident44 Ų4486.4 Ų86.429%0.28646%0.461SS..  trans-57.9121.6169.7-21.833.2000110C51 P232 F233P9-C51 WeakPolarHBondContact O-CB 3.36Å; P9-P232 HydrophobicContact CB-CB 4.21Å; P9-P232 HydrophobicContact CB-CG 4.16Å; P9-F233 HydrophobicContact CB-CE2 4.15Å; P9-F233 HydrophobicContact CB-CZ 3.95Å; P9-F233 HydrophobicContact CG-CZ 3.9Å
10F84.9Confident72.7Confident24 Ų2487.4 Ų87.411%0.10546%0.463CS..  trans-138.9144.4-178-151-106.8000108.8F8 Y12 P14 M22 L47 C51F8-F10 PolarHBondContact O-N 3.4Å; F10-Y12 WeakPolarHBondContact CB-O 3.46Å; F10-Y12 HydrophobicContact CD1-CD1 4.38Å; F10-Y12 HydrophobicContact CD1-CD2 4.09Å; F10-Y12 HydrophobicContact CD1-CE1 4.36Å; F10-Y12 HydrophobicContact CD1-CE2 4.08Å; F10-Y12 HydrophobicContact CD1-CG 4.24Å; F10-Y12 VanDerWaalsContact CD1-O 3.3Å; F10-Y12 WeakPolarHBondContact CD1-O 3.26Å; F10-Y12 HydrophobicContact CE1-CD1 4.31Å; F10-Y12 AromaticContact CE1-CD2 3.97Å; F10-Y12 HydrophobicContact CE1-CD2 3.97Å; F10-Y12 AromaticContact CE1-CE1 3.85Å; F10-Y12 HydrophobicContact CE1-CE1 3.85Å; F10-Y12 AromaticContact CE1-CE2 3.47Å; F10-Y12 HydrophobicContact CE1-CE2 3.47Å; F10-Y12 VanDerWaalsContact CE1-CE2 3.47Å; F10-Y12 HydrophobicContact CE1-CG 4.36Å; F10-Y12 AromaticContact CE1-CZ 3.39Å; F10-Y12 PolarHBondContact O-N 3.48Å; F10-Y12 VanDerWaalsContact O-N 3.14Å; F10-P14 HydrophobicContact CD1-CB 3.9Å; F10-P14 HydrophobicContact CE1-CB 4.14Å; F10-P14 HydrophobicContact CG-CB 4.15Å; F10-M22 HydrophobicContact CD2-CE 4.04Å; F10-M22 HydrophobicContact CD2-SD 3.92Å; F10-M22 HydrophobicContact CE2-CE 4.26Å; F10-M22 HydrophobicContact CE2-SD 4.06Å; F10-L47 HydrophobicContact CD1-CD2 4.37Å; F10-L47 HydrophobicContact CD2-CG 4.45Å; F10-L47 HydrophobicContact CE1-CD2 3.62Å; F10-L47 HydrophobicContact CE1-CG 4.33Å; F10-L47 HydrophobicContact CE2-CB 4.34Å; F10-L47 HydrophobicContact CE2-CD2 3.89Å; F10-L47 HydrophobicContact CE2-CG 3.66Å; F10-L47 HydrophobicContact CZ-CB 4.16Å; F10-L47 HydrophobicContact CZ-CD2 3.33Å; F10-L47 HydrophobicContact CZ-CG 3.6Å; F10-C51 HydrophobicContact CD2-CB 3.79Å; F10-C51 VanDerWaalsContact CD2-SG 3.53Å; F10-C51 HydrophobicContact CE2-CB 4.17Å
11P82.6Confident73.6Confident58 Ų5883.3 Ų83.338%0.37744%0.441SS..SBendtrans-67.9-12.5-175.426.2-34.9000114L47P11-L47 HydrophobicContact CG-CD1 3.99Å; P11-L47 HydrophobicContact CG-CD2 3.57Å; P11-L47 HydrophobicContact CG-CG 4.25Å
12Y83.3Confident76.2Confident108 Ų10872.1 Ų72.142%0.42439%0.386SS..SBendtrans-148-178.8174.252.2-91.7000109.5F10 P14 Q18 L47F10-Y12 WeakPolarHBondContact CB-O 3.46Å; F10-Y12 HydrophobicContact CD1-CD1 4.38Å; F10-Y12 HydrophobicContact CD1-CD2 4.09Å; F10-Y12 HydrophobicContact CD1-CE1 4.36Å; F10-Y12 HydrophobicContact CD1-CE2 4.08Å; F10-Y12 HydrophobicContact CD1-CG 4.24Å; F10-Y12 VanDerWaalsContact CD1-O 3.3Å; F10-Y12 WeakPolarHBondContact CD1-O 3.26Å; F10-Y12 HydrophobicContact CE1-CD1 4.31Å; F10-Y12 AromaticContact CE1-CD2 3.97Å; F10-Y12 HydrophobicContact CE1-CD2 3.97Å; F10-Y12 AromaticContact CE1-CE1 3.85Å; F10-Y12 HydrophobicContact CE1-CE1 3.85Å; F10-Y12 AromaticContact CE1-CE2 3.47Å; F10-Y12 HydrophobicContact CE1-CE2 3.47Å; F10-Y12 VanDerWaalsContact CE1-CE2 3.47Å; F10-Y12 HydrophobicContact CE1-CG 4.36Å; F10-Y12 AromaticContact CE1-CZ 3.39Å; F10-Y12 PolarHBondContact O-N 3.48Å; F10-Y12 VanDerWaalsContact O-N 3.14Å; Y12-P14 VanDerWaalsContact O-CD 3.25Å; Y12-P14 WeakPolarHBondContact O-CD 3.22Å; Y12-Q18 PolarHBondContact OH-NE2 2.87Å; Y12-L47 HydrophobicContact CE1-CD2 3.55Å
13K82.2Confident79Confident185 Ų18567.7 Ų67.780%0.80436%0.364SS*.  trans-67.6113.7174.7-173.4176.1-179.91790109.8
14P83.8Confident81.4Confident23 Ų2361.8 Ų61.815%0.14934%0.336CS..  trans-65.8152.3-177.228.5-34.6000111.1F10 Y12 Q18 E19 M22F10-P14 HydrophobicContact CD1-CB 3.9Å; F10-P14 HydrophobicContact CE1-CB 4.14Å; F10-P14 HydrophobicContact CG-CB 4.15Å; Y12-P14 VanDerWaalsContact O-CD 3.25Å; Y12-P14 WeakPolarHBondContact O-CD 3.22Å; P14-Q18 HydrophobicContact CB-CB 4.25Å; P14-E19 HydrophobicContact CB-CG 4.03Å; P14-E19 HydrophobicContact CG-CG 3.74Å; P14-M22 HydrophobicContact CB-CE 4.12Å
15Y84.2Confident83.8Confident71 Ų7159 Ų5928%0.27831%0.308SS..  trans-73.3152.5167.8-58-57.9000110.4I17 Q18 E19 V642 R842Y15-I17 PolarHBondContact O-N 2.77Å; Y15-I17 VanDerWaalsContact O-N 3.11Å; Y15-Q18 HydrophobicContact CD2-CG 4.19Å; Y15-Q18 WeakPolarHBondContact O-CA 3.36Å; Y15-Q18 WeakPolarHBondContact O-CB 3.39Å; Y15-Q18 PolarHBondContact O-N 3.42Å; Y15-E19 PolarHBondContact O-N 3.3Å; Y15-V642 HydrophobicContact CD1-CG1 4.46Å; Y15-V642 HydrophobicContact CD2-CG1 4.13Å; Y15-V642 HydrophobicContact CD2-CG2 4.14Å; Y15-V642 HydrophobicContact CE1-CG1 4.43Å; Y15-V642 HydrophobicContact CE2-CG1 4.12Å; Y15-V642 HydrophobicContact CG-CG1 4.32Å; Y15-R842 PolarHBondContact OH-NH1 3.38Å
16D84.6Confident85.4Confident123 Ų12357.2 Ų57.266%0.65830%0.301SS*.Hα-helixtrans-53.5-38.3178.3-57.8-21.4000112.3Q18 E19 Q20D16-Q18 VanDerWaalsContact C-N 3.32Å; D16-Q18 PolarHBondContact O-N 2.85Å; D16-E19 PolarHBondContact O-N 3.01Å; D16-Q20 VanDerWaalsContact O-CG 3.32Å; D16-Q20 WeakPolarHBondContact O-CG 2.84Å; D16-Q20 PolarHBondContact O-N 3.08Å
17I84.9Confident87Confident34 Ų3454.9 Ų54.917%0.17428%0.279CS..Hα-helixtrans-67.6-30.4176.664.4161.2000113.2Y15 F21 T43 C639 V642Y15-I17 PolarHBondContact O-N 2.77Å; Y15-I17 VanDerWaalsContact O-N 3.11Å; I17-F21 WeakPolarHBondContact O-CB 3.3Å; I17-F21 PolarHBondContact O-N 3.18Å; I17-T43 HydrophobicContact CD1-CG2 3.91Å; I17-C639 HydrophobicContact CB-CB 4.46Å; I17-V642 HydrophobicContact CD1-CB 4.4Å; I17-V642 HydrophobicContact CD1-CG2 3.26Å; I17-V642 HydrophobicContact CG1-CG2 4.1Å
18Q87.6Confident87.8Confident3 Ų350.8 Ų50.81%0.01425%0.25CS..Hα-helixtrans-73.7-39.8176.3-67.2175.6-36.500109.7Y12 P14 Y15 D16 F21 M22 T43Y12-Q18 PolarHBondContact OH-NE2 2.87Å; P14-Q18 HydrophobicContact CB-CB 4.25Å; Y15-Q18 HydrophobicContact CD2-CG 4.19Å; Y15-Q18 WeakPolarHBondContact O-CA 3.36Å; Y15-Q18 WeakPolarHBondContact O-CB 3.39Å; Y15-Q18 PolarHBondContact O-N 3.42Å; D16-Q18 VanDerWaalsContact C-N 3.32Å; D16-Q18 PolarHBondContact O-N 2.85Å; Q18-F21 WeakPolarHBondContact O-CB 3.22Å; Q18-F21 PolarHBondContact O-N 3.44Å; Q18-M22 WeakPolarHBondContact O-CG 3.44Å; Q18-M22 PolarHBondContact O-N 2.64Å; Q18-T43 WeakPolarHBondContact CG-O 3.4Å; Q18-T43 PolarHBondContact NE2-O 2.76Å
19E88.3Confident88.2Confident65 Ų6550 Ų5030%0.30425%0.247SC..Hα-helixtrans-62.7-45.1173.4-67-168.6-179.900112.2P14 Y15 D16 F21 M22 K23P14-E19 HydrophobicContact CB-CG 4.03Å; P14-E19 HydrophobicContact CG-CG 3.74Å; Y15-E19 PolarHBondContact O-N 3.3Å; D16-E19 PolarHBondContact O-N 3.01Å; E19-F21 VanDerWaalsContact C-N 3.3Å; E19-F21 PolarHBondContact O-N 2.66Å; E19-M22 HydrophobicContact CG-CE 4.49Å; E19-M22 PolarHBondContact O-N 3.49Å; E19-K23 WeakPolarHBondContact O-CB 3.33Å; E19-K23 VanDerWaalsContact O-CG 3.31Å; E19-K23 WeakPolarHBondContact O-CG 3.3Å; E19-K23 PolarHBondContact O-N 2.89Å; E19-K23 IonicContact OE2-NZ 2.72Å
20Q88.8Confident88.6Confident107 Ų10750.5 Ų50.550%0.525%0.247SC..Hα-helixtrans-59.8-43.2175.3-71.2174.313.800111.2D16 K23 A24 F637D16-Q20 VanDerWaalsContact O-CG 3.32Å; D16-Q20 WeakPolarHBondContact O-CG 2.84Å; D16-Q20 PolarHBondContact O-N 3.08Å; Q20-K23 PolarHBondContact O-N 3.41Å; Q20-A24 WeakPolarHBondContact O-CB 3.47Å; Q20-A24 PolarHBondContact O-N 3.03Å; Q20-F637 HydrophobicContact CB-CE2 4.33Å; Q20-F637 HydrophobicContact CB-CZ 3.92Å
21F90.6Very high88.8Confident2 Ų254.2 Ų54.21%0.00927%0.265CS..Hα-helixtrans-60-48.1175.7-173.4-77.6000111.5I17 Q18 E19 A24 L25 F37 K45 L49 F637I17-F21 WeakPolarHBondContact O-CB 3.3Å; I17-F21 PolarHBondContact O-N 3.18Å; Q18-F21 WeakPolarHBondContact O-CB 3.22Å; Q18-F21 PolarHBondContact O-N 3.44Å; E19-F21 VanDerWaalsContact C-N 3.3Å; E19-F21 PolarHBondContact O-N 2.66Å; F21-A24 PolarHBondContact O-N 3.33Å; F21-L25 HydrophobicContact CE1-CD2 4.28Å; F21-L25 VanDerWaalsContact O-CB 3.29Å; F21-L25 WeakPolarHBondContact O-CB 3.4Å; F21-L25 PolarHBondContact O-N 2.85Å; F21-F37 HydrophobicContact CD2-CD1 4.06Å; F21-F37 HydrophobicContact CE1-CD1 4.29Å; F21-F37 HydrophobicContact CE2-CB 3.88Å; F21-F37 AromaticContact CE2-CD1 3.63Å; F21-F37 HydrophobicContact CE2-CD1 3.63Å; F21-F37 HydrophobicContact CE2-CG 4.19Å; F21-F37 HydrophobicContact CZ-CB 4.01Å; F21-F37 AromaticContact CZ-CD1 3.76Å; F21-F37 HydrophobicContact CZ-CD1 3.76Å; F21-F37 HydrophobicContact CZ-CG 4.18Å; F21-K45 HydrophobicContact CZ-CG 4.47Å; F21-L49 HydrophobicContact CE1-CD2 3.73Å; F21-L49 HydrophobicContact CE1-CG 3.84Å; F21-L49 HydrophobicContact CZ-CD2 3.75Å; F21-L49 HydrophobicContact CZ-CG 3.93Å; F21-F637 HydrophobicContact CB-CE1 3.85Å; F21-F637 HydrophobicContact CB-CZ 4.37Å; F21-F637 AromaticContact CD2-CD1 3.96Å; F21-F637 HydrophobicContact CD2-CD1 3.96Å; F21-F637 AromaticContact CD2-CE1 3.74Å; F21-F637 HydrophobicContact CD2-CE1 3.74Å; F21-F637 HydrophobicContact CG-CE1 4.16Å
22M92.2Very high89.2Confident1 Ų152 Ų521%0.00525%0.253CS..Hα-helixtrans-63.8-40.8179.4-72.5-174.6-68.800112.3F8 F10 P14 Q18 E19 L25 Y26 S48 C51F8-M22 HydrophobicContact CB-CE 3.89Å; F8-M22 HydrophobicContact CB-SD 3.71Å; F8-M22 HydrophobicContact CD1-CB 4.15Å; F8-M22 HydrophobicContact CD1-SD 4.39Å; F8-M22 HydrophobicContact CD2-CB 3.88Å; F8-M22 HydrophobicContact CD2-CE 4.25Å; F8-M22 HydrophobicContact CD2-SD 4.43Å; F8-M22 HydrophobicContact CE1-CB 4.17Å; F8-M22 HydrophobicContact CE2-CB 3.93Å; F8-M22 HydrophobicContact CG-CB 4.01Å; F8-M22 HydrophobicContact CG-CE 4.21Å; F8-M22 HydrophobicContact CG-SD 3.92Å; F8-M22 HydrophobicContact CZ-CB 4.06Å; F10-M22 HydrophobicContact CD2-CE 4.04Å; F10-M22 HydrophobicContact CD2-SD 3.92Å; F10-M22 HydrophobicContact CE2-CE 4.26Å; F10-M22 HydrophobicContact CE2-SD 4.06Å; P14-M22 HydrophobicContact CB-CE 4.12Å; Q18-M22 WeakPolarHBondContact O-CG 3.44Å; Q18-M22 PolarHBondContact O-N 2.64Å; E19-M22 HydrophobicContact CG-CE 4.49Å; E19-M22 PolarHBondContact O-N 3.49Å; M22-L25 PolarHBondContact O-N 3.23Å; M22-Y26 WeakPolarHBondContact O-CB 3.47Å; M22-Y26 PolarHBondContact O-N 3.45Å; M22-S48 WeakPolarHBondContact CG-O 2.99Å; M22-C51 HydrophobicContact SD-CB 3.8Å
23K91.9Very high89.7Confident96 Ų9649.3 Ų49.342%0.41724%0.243SC..Hα-helixtrans-62.9-46.4175.9-73.2172.3179.5165.50111.9F8 E19 Q20 Y26 S27F8-K23 HydrophobicContact CE2-CG 3.73Å; F8-K23 HydrophobicContact CZ-CG 4.28Å; E19-K23 WeakPolarHBondContact O-CB 3.33Å; E19-K23 VanDerWaalsContact O-CG 3.31Å; E19-K23 WeakPolarHBondContact O-CG 3.3Å; E19-K23 PolarHBondContact O-N 2.89Å; E19-K23 IonicContact OE2-NZ 2.72Å; Q20-K23 PolarHBondContact O-N 3.41Å; K23-Y26 PolarHBondContact O-N 2.89Å; K23-S27 PolarHBondContact O-N 3.36Å
24A92Very high90.3Very high24 Ų2440.5 Ų40.520%0.19821%0.205CC..Hα-helixtrans-64-42.3177.400000111.6Q20 F21 S27 A28 F37 F637Q20-A24 WeakPolarHBondContact O-CB 3.47Å; Q20-A24 PolarHBondContact O-N 3.03Å; F21-A24 PolarHBondContact O-N 3.33Å; A24-S27 PolarHBondContact O-N 3.49Å; A24-A28 WeakPolarHBondContact O-CB 3.29Å; A24-A28 PolarHBondContact O-N 3.35Å; A24-F37 HydrophobicContact CB-CE1 3.84Å; A24-F37 HydrophobicContact CB-CZ 4.26Å; A24-F637 HydrophobicContact CB-CB 4.25Å; A24-F637 HydrophobicContact CB-CD1 4.42Å; A24-F637 HydrophobicContact CB-CD2 3.49Å; A24-F637 VanDerWaalsContact CB-CD2 3.49Å; A24-F637 HydrophobicContact CB-CE2 3.89Å; A24-F637 HydrophobicContact CB-CG 3.78Å
25L93.8Very high90.7Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-60.5-50.9176.2179.363.5000111.5F21 M22 S27 A28 L29 F37 L49 A53 I607F21-L25 HydrophobicContact CE1-CD2 4.28Å; F21-L25 VanDerWaalsContact O-CB 3.29Å; F21-L25 WeakPolarHBondContact O-CB 3.4Å; F21-L25 PolarHBondContact O-N 2.85Å; M22-L25 PolarHBondContact O-N 3.23Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 3.45Å; L25-A28 PolarHBondContact O-N 2.94Å; L25-A28 VanDerWaalsContact O-N 3.13Å; L25-L29 HydrophobicContact CD1-CD1 4.27Å; L25-L29 HydrophobicContact CD1-CG 4.28Å; L25-L29 HydrophobicContact CG-CD1 4.13Å; L25-L29 WeakPolarHBondContact O-CG 3.44Å; L25-L29 PolarHBondContact O-N 3.5Å; L25-F37 HydrophobicContact CB-CE1 4.06Å; L25-F37 HydrophobicContact CB-CZ 4.15Å; L25-F37 HydrophobicContact CD1-CE2 4.37Å; L25-F37 HydrophobicContact CD1-CZ 4.28Å; L25-L49 HydrophobicContact CD1-CD2 4.35Å; L25-L49 HydrophobicContact CD2-CD2 4.04Å; L25-A53 HydrophobicContact CD2-CB 4.38Å; L25-I607 HydrophobicContact CD1-CB 4.34Å; L25-I607 HydrophobicContact CD1-CD1 3.88Å; L25-I607 HydrophobicContact CD1-CG1 3.74Å; L25-I607 HydrophobicContact CD1-CG2 3.76Å
26Y93.9Very high91.1Very high32 Ų3236.1 Ų36.113%0.12519%0.185CC..Hα-helixtrans-56.4-47.8179-171.4-80.1000111.4F8 M22 K23 A28 L29 D30 W56 D59F8-Y26 AromaticContact CE1-CD2 3.94Å; F8-Y26 HydrophobicContact CE1-CD2 3.94Å; F8-Y26 HydrophobicContact CE1-CG 4.4Å; F8-Y26 HydrophobicContact CZ-CD2 4.44Å; F8-Y26 HydrophobicContact CZ-CG 4.49Å; M22-Y26 WeakPolarHBondContact O-CB 3.47Å; M22-Y26 PolarHBondContact O-N 3.45Å; K23-Y26 PolarHBondContact O-N 2.89Å; Y26-A28 VanDerWaalsContact C-N 3.3Å; Y26-A28 PolarHBondContact O-N 3.43Å; Y26-L29 PolarHBondContact O-N 3.22Å; Y26-D30 WeakPolarHBondContact O-CB 3.3Å; Y26-D30 PolarHBondContact O-N 2.92Å; Y26-W56 HydrophobicContact CD2-CB 3.7Å; Y26-W56 HydrophobicContact CD2-CG 4.49Å; Y26-W56 HydrophobicContact CE2-CB 3.87Å; Y26-W56 HydrophobicContact CG-CB 4.47Å; Y26-D59 HydrophobicContact CE2-CB 4.47Å; Y26-D59 VanDerWaalsContact CE2-OD2 3.29Å; Y26-D59 WeakPolarHBondContact CE2-OD2 3.13Å; Y26-D59 WeakPolarHBondContact OH-CB 3.3Å; Y26-D59 PolarHBondContact OH-OD2 2.93Å
27S92.4Very high91.4Very high49 Ų4930.3 Ų30.334%0.34315%0.154SC..Hα-helixtrans-62-36.5178.2-175.90000112.8K23 A24 L25 Q31K23-S27 PolarHBondContact O-N 3.36Å; A24-S27 PolarHBondContact O-N 3.49Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-S27 PolarHBondContact O-N 3.45Å; S27-Q31 WeakPolarHBondContact O-CB 3.31Å; S27-Q31 VanDerWaalsContact O-CG 3.26Å; S27-Q31 WeakPolarHBondContact O-CG 3.35Å; S27-Q31 PolarHBondContact O-N 2.88Å; S27-Q31 PolarHBondContact OG-NE2 3.47Å
28A93.4Very high91.5Very high2 Ų229.2 Ų29.22%0.01715%0.148CC..Hα-helixtrans-70.1-39.4178.300000112A24 L25 Y26 G32 K33 F37 I607A24-A28 WeakPolarHBondContact O-CB 3.29Å; A24-A28 PolarHBondContact O-N 3.35Å; L25-A28 PolarHBondContact O-N 2.94Å; L25-A28 VanDerWaalsContact O-N 3.13Å; Y26-A28 VanDerWaalsContact C-N 3.3Å; Y26-A28 PolarHBondContact O-N 3.43Å; A28-G32 PolarHBondContact O-N 3.1Å; A28-K33 PolarHBondContact O-N 3.44Å; A28-F37 HydrophobicContact CB-CE2 4.28Å; A28-F37 HydrophobicContact CB-CZ 4.24Å; A28-I607 HydrophobicContact CB-CD1 4.08Å
29L93.3Very high91.3Very high0 Ų029.2 Ų29.20%015%0.148CC..Hα-helixtrans-67.4-44.9176.8-67.7178.3000112.1L25 Y26 Q31 G32 A53 W56 V369 R604 A605 I607L25-L29 HydrophobicContact CD1-CD1 4.27Å; L25-L29 HydrophobicContact CD1-CG 4.28Å; L25-L29 HydrophobicContact CG-CD1 4.13Å; L25-L29 WeakPolarHBondContact O-CG 3.44Å; L25-L29 PolarHBondContact O-N 3.5Å; Y26-L29 PolarHBondContact O-N 3.22Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.43Å; L29-G32 PolarHBondContact O-N 3.43Å; L29-A53 HydrophobicContact CD1-CB 4Å; L29-W56 HydrophobicContact CB-CD2 3.73Å; L29-W56 HydrophobicContact CB-CE3 4.35Å; L29-W56 HydrophobicContact CB-CG 3.75Å; L29-W56 HydrophobicContact CD1-CB 3.97Å; L29-W56 HydrophobicContact CD1-CD2 4.06Å; L29-W56 HydrophobicContact CD1-CE3 4.13Å; L29-W56 HydrophobicContact CD1-CG 3.98Å; L29-W56 HydrophobicContact CG-CD2 4.48Å; L29-V369 HydrophobicContact CD2-CB 4.46Å; L29-V369 HydrophobicContact CD2-CG1 3.38Å; L29-V369 HydrophobicContact CD2-CG2 4.22Å; L29-R604 PolarHBondContact O-NE 3.42Å; L29-A605 HydrophobicContact CD2-CB 3.92Å; L29-I607 HydrophobicContact CD2-CD1 3.93Å; L29-I607 HydrophobicContact CD2-CG1 3.67Å; L29-I607 HydrophobicContact CG-CD1 4.45Å; L29-I607 HydrophobicContact CG-CG1 4.47Å
30D91.2Very high90.9Very high53 Ų5326.3 Ų26.328%0.28314%0.135SC..Hα-helixtrans-61.9-43.4179.3-169.748.8000111.3Y26 G32 R604Y26-D30 WeakPolarHBondContact O-CB 3.3Å; Y26-D30 PolarHBondContact O-N 2.92Å; D30-G32 VanDerWaalsContact C-N 3.29Å; D30-G32 PolarHBondContact O-N 3.15Å; D30-R604 PolarHBondContact O-NH2 2.89Å
31Q90.9Very high90.2Very high103 Ų10322.7 Ų22.748%0.48112%0.12SC..THydrogen-bonded Turntrans-78.1-3.1178.8-66.1170.821.600114.7S27 L29 K33S27-Q31 WeakPolarHBondContact O-CB 3.31Å; S27-Q31 VanDerWaalsContact O-CG 3.26Å; S27-Q31 WeakPolarHBondContact O-CG 3.35Å; S27-Q31 PolarHBondContact O-N 2.88Å; S27-Q31 PolarHBondContact OG-NE2 3.47Å; L29-Q31 VanDerWaalsContact C-N 3.34Å; L29-Q31 PolarHBondContact O-N 3.43Å; Q31-K33 HydrophobicContact CB-CD 4.16Å; Q31-K33 HydrophobicContact CB-CG 3.89Å; Q31-K33 PolarHBondContact O-N 3.47Å
32G90.8Very high89.2Confident12 Ų1224.5 Ų24.512%0.12414%0.139CC..THydrogen-bonded Turntrans6734-179.500000114.1A28 L29 D30 R604 R633A28-G32 PolarHBondContact O-N 3.1Å; L29-G32 PolarHBondContact O-N 3.43Å; D30-G32 VanDerWaalsContact C-N 3.29Å; D30-G32 PolarHBondContact O-N 3.15Å; G32-R604 CarbonylContact C-O 3.59Å; G32-R604 VanDerWaalsContact CA-O 3.28Å; G32-R604 WeakPolarHBondContact CA-O 3.25Å; G32-R633 PolarHBondContact O-NE 3.3Å; G32-R633 PolarHBondContact O-NH2 3.41Å
33K92.9Very high88.2Confident50 Ų5024.6 Ų24.622%0.21714%0.14CC..  trans-90.7164-174.1-72.3-168.2175.5170.40113.4A28 Q31 A605 V606 E632 R633 T635A28-K33 PolarHBondContact O-N 3.44Å; Q31-K33 HydrophobicContact CB-CD 4.16Å; Q31-K33 HydrophobicContact CB-CG 3.89Å; Q31-K33 PolarHBondContact O-N 3.47Å; K33-A605 WeakPolarHBondContact O-CA 3.28Å; K33-A605 WeakPolarHBondContact O-CB 3.38Å; K33-V606 PolarHBondContact O-N 2.92Å; K33-E632 WeakPolarHBondContact CE-O 3.24Å; K33-R633 CarbonylContact C-O 3.58Å; K33-R633 WeakPolarHBondContact CA-O 3.4Å; K33-R633 VanDerWaalsContact CB-O 3.23Å; K33-R633 WeakPolarHBondContact CB-O 3.37Å; K33-T635 WeakPolarHBondContact CD-OG1 3.36Å
34V94.3Very high87.5Confident0 Ų021.1 Ų21.10%013%0.132CC..EExtended strand (participates in β ladder)trans-92.4102.3165.9-177.40000107.5L600 V606 I608 L624 V629 R633 I634 T635V34-L600 HydrophobicContact CG1-CD2 4.15Å; V34-L600 HydrophobicContact CG2-CD2 3.9Å; V34-V606 CarbonylContact C-O 3.57Å; V34-V606 VanDerWaalsContact CA-O 3.26Å; V34-V606 WeakPolarHBondContact CA-O 3.45Å; V34-I608 HydrophobicContact CG1-CD1 4.27Å; V34-L624 HydrophobicContact CG1-CD1 4.03Å; V34-L624 HydrophobicContact CG1-CD2 4.02Å; V34-V629 HydrophobicContact CG2-CG1 4.23Å; V34-R633 HydrophobicContact CG2-CG 4.33Å; V34-R633 PolarHBondContact N-O 3.3Å; V34-I634 CarbonylContact O-C 3.21Å; V34-I634 WeakPolarHBondContact O-CA 3.18Å; V34-T635 PolarHBondContact O-N 3Å
35G92.5Very high87.3Confident0 Ų020.8 Ų20.80%013%0.126CC..EExtended strand (participates in β ladder)trans-96.6126.9-175.200000112.1V606 I607 I608 T635G35-V606 PolarHBondContact N-O 2.86Å; G35-I607 CarbonylContact O-C 3.54Å; G35-I607 WeakPolarHBondContact O-CA 3.33Å; G35-I608 PolarHBondContact O-N 2.9Å; G35-T635 CarbonylContact C-O 3.58Å; G35-T635 WeakPolarHBondContact CA-O 3.17Å
36I92.5Very high87Confident3 Ų322.3 Ų22.32%0.01514%0.136CC..EExtended strand (participates in β ladder)trans-103.3115170.8-51.9174.4000108.4I608 M613 V616 F619 K620 L624 I634 T635 E636 F637I36-I608 WeakPolarHBondContact CA-O 3.35Å; I36-M613 HydrophobicContact CG2-CE 4.42Å; I36-V616 HydrophobicContact CB-CG1 4.47Å; I36-V616 HydrophobicContact CD1-CG1 3.61Å; I36-V616 HydrophobicContact CG2-CG1 3.83Å; I36-V616 HydrophobicContact CG2-CG2 4.45Å; I36-F619 HydrophobicContact CD1-CD1 4.24Å; I36-K620 HydrophobicContact CD1-CD 4.13Å; I36-K620 HydrophobicContact CD1-CG 3.63Å; I36-L624 HydrophobicContact CD1-CD1 3.8Å; I36-L624 HydrophobicContact CG1-CD1 4.3Å; I36-I634 HydrophobicContact CD1-CG2 4.3Å; I36-T635 PolarHBondContact N-O 2.95Å; I36-E636 HydrophobicContact CB-CG 4.29Å; I36-E636 HydrophobicContact CD1-CG 4.4Å; I36-E636 WeakPolarHBondContact O-CA 3.45Å; I36-F637 PolarHBondContact O-N 3.27Å
37F91Very high86.6Confident1 Ų121.1 Ų21.10%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-115.4112.6-174.5-76-102.1000110.6F21 A24 L25 A28 I607 I608 A609 G610 F637F21-F37 HydrophobicContact CD2-CD1 4.06Å; F21-F37 HydrophobicContact CE1-CD1 4.29Å; F21-F37 HydrophobicContact CE2-CB 3.88Å; F21-F37 AromaticContact CE2-CD1 3.63Å; F21-F37 HydrophobicContact CE2-CD1 3.63Å; F21-F37 HydrophobicContact CE2-CG 4.19Å; F21-F37 HydrophobicContact CZ-CB 4.01Å; F21-F37 AromaticContact CZ-CD1 3.76Å; F21-F37 HydrophobicContact CZ-CD1 3.76Å; F21-F37 HydrophobicContact CZ-CG 4.18Å; A24-F37 HydrophobicContact CB-CE1 3.84Å; A24-F37 HydrophobicContact CB-CZ 4.26Å; L25-F37 HydrophobicContact CB-CE1 4.06Å; L25-F37 HydrophobicContact CB-CZ 4.15Å; L25-F37 HydrophobicContact CD1-CE2 4.37Å; L25-F37 HydrophobicContact CD1-CZ 4.28Å; A28-F37 HydrophobicContact CB-CE2 4.28Å; A28-F37 HydrophobicContact CB-CZ 4.24Å; F37-I607 HydrophobicContact CD2-CG2 3.72Å; F37-I607 HydrophobicContact CE2-CD1 4.04Å; F37-I607 HydrophobicContact CE2-CG2 4.13Å; F37-I607 HydrophobicContact CG-CG2 4.4Å; F37-I608 PolarHBondContact N-O 2.83Å; F37-A609 HydrophobicContact CB-CB 4.24Å; F37-A609 CarbonylContact O-C 3.57Å; F37-A609 VanDerWaalsContact O-CA 3.29Å; F37-A609 WeakPolarHBondContact O-CA 3.27Å; F37-G610 PolarHBondContact O-N 3.4Å; F37-F637 CarbonylContact C-O 3.57Å; F37-F637 WeakPolarHBondContact CA-O 3.13Å; F37-F637 HydrophobicContact CD1-CB 3.81Å; F37-F637 AromaticContact CD1-CD1 3.75Å; F37-F637 HydrophobicContact CD1-CD1 3.75Å; F37-F637 HydrophobicContact CD1-CG 4.1Å; F37-F637 HydrophobicContact CE1-CB 3.76Å; F37-F637 HydrophobicContact CE1-CD1 4.03Å; F37-F637 HydrophobicContact CE1-CG 4.04Å; F37-F637 HydrophobicContact CG-CB 4.41Å; F37-F637 HydrophobicContact CZ-CB 4.33Å
38E87Confident86.5Confident11 Ų1118.9 Ų18.95%0.05112%0.117CC..EExtended strand (participates in β ladder)trans-96.7122.6169-176.8179.3-147.600109.4G610 Q614 F637 S638 C639E38-G610 WeakPolarHBondContact CA-O 3.22Å; E38-Q614 WeakPolarHBondContact OE1-CG 3.48Å; E38-F637 PolarHBondContact N-O 3.45Å; E38-S638 WeakPolarHBondContact O-CA 3.29Å; E38-S638 WeakPolarHBondContact OE2-CB 3.41Å; E38-S638 PolarHBondContact OE2-OG 3.36Å; E38-C639 PolarHBondContact O-N 2.81Å; E38-C639 VanDerWaalsContact O-N 3.09Å
39S84.8Confident86.5Confident3 Ų318.9 Ų18.92%0.02112%0.116CC..  trans-142.5114.5175.5178.10000109.7T43 G610 G611 C639S39-T43 PolarHBondContact OG-OG1 2.77Å; S39-G610 PolarHBondContact N-O 2.98Å; S39-G610 VanDerWaalsContact N-O 3.14Å; S39-G611 VanDerWaalsContact O-CA 3.26Å; S39-G611 WeakPolarHBondContact O-CA 3.34Å; S39-C639 VanDerWaalsContact CA-SG 3.59Å; S39-C639 VanDerWaalsContact CB-SG 3.59Å; S39-C639 PolarHBondContact OG-SG 3.17Å; S39-C639 VanDerWaalsContact OG-SG 3.4Å
40P78.8Confident86.3Confident4 Ų419 Ų193%0.02612%0.117CC..  trans-54158.8-176.2-26.133.5000113.3T43 C639 H641P40-T43 HydrophobicContact CB-CG2 4.07Å; P40-T43 HydrophobicContact CG-CG2 4.45Å; P40-T43 WeakPolarHBondContact O-CG2 3.36Å; P40-T43 PolarHBondContact O-OG1 3.36Å; P40-C639 WeakPolarHBondContact CD-O 3.48Å; P40-H641 HydrophobicContact CB-CB 4.37Å; P40-H641 VanDerWaalsContact CB-CD2 3.47Å; P40-H641 WeakPolarHBondContact CB-CD2 3.34Å; P40-H641 HydrophobicContact CG-CB 4.27Å
41T74.1Confident86.2Confident31 Ų3116.5 Ų16.519%0.1910%0.103CC..THydrogen-bonded Turntrans-58.5140.5173.8400000110.7T43 H641 G836T41-T43 PolarHBondContact O-N 3.3Å; T41-H641 PolarHBondContact O-NE2 3.31Å; T41-G836 PolarHBondContact OG1-O 3.11Å
42G69.4Low86.2Confident39 Ų3911.6 Ų11.640%0.4028%0.081SC..THydrogen-bonded Turntrans85.1-1.9175.400000116.7G44 R840G42-G44 VanDerWaalsContact C-N 3.3Å; G42-G44 PolarHBondContact O-N 3.43Å; G42-R840 WeakPolarHBondContact CA-O 3.42Å
43T71Confident86.3Confident3 Ų311.2 Ų11.22%0.0188%0.076CC..SBendtrans-82.7-1.7177.162.40000114.1I17 Q18 S39 P40 T41 V642I17-T43 HydrophobicContact CD1-CG2 3.91Å; Q18-T43 WeakPolarHBondContact CG-O 3.4Å; Q18-T43 PolarHBondContact NE2-O 2.76Å; S39-T43 PolarHBondContact OG-OG1 2.77Å; P40-T43 HydrophobicContact CB-CG2 4.07Å; P40-T43 HydrophobicContact CG-CG2 4.45Å; P40-T43 WeakPolarHBondContact O-CG2 3.36Å; P40-T43 PolarHBondContact O-OG1 3.36Å; T41-T43 PolarHBondContact O-N 3.3Å; T43-V642 HydrophobicContact CG2-CG2 3.91Å
44G77.9Confident86.3Confident24 Ų249.1 Ų9.125%0.2477%0.067CC..  trans76.933.3-173.100000113.7G42 S46 L47 S48G42-G44 VanDerWaalsContact C-N 3.3Å; G42-G44 PolarHBondContact O-N 3.43Å; G44-S46 PolarHBondContact O-N 2.67Å; G44-L47 PolarHBondContact O-N 2.89Å; G44-S48 PolarHBondContact O-N 2.99Å; G44-S48 PolarHBondContact O-OG 3.48Å
45K86.9Confident86.1Confident17 Ų179.1 Ų9.17%0.0747%0.067CC..Hα-helixtrans-47-54.3177.4179.5-17658.3167.30113.2F21 L47 S48 L49 D373 E374F21-K45 HydrophobicContact CZ-CG 4.47Å; K45-L47 VanDerWaalsContact C-N 3.33Å; K45-L47 PolarHBondContact O-N 3.43Å; K45-S48 PolarHBondContact O-N 3.38Å; K45-S48 VanDerWaalsContact O-N 3.17Å; K45-L49 HydrophobicContact CG-CD1 3.96Å; K45-L49 HydrophobicContact CG-CG 4.46Å; K45-L49 WeakPolarHBondContact O-CG 3.5Å; K45-L49 PolarHBondContact O-N 3.26Å; K45-D373 WeakPolarHBondContact CE-OD1 3.24Å; K45-D373 IonicContact NZ-OD1 3.04Å; K45-D373 PolarHBondContact NZ-OD1 3.37Å; K45-D373 IonicContact NZ-OD2 2.82Å; K45-E374 IonicContact NZ-OE1 3.29Å; K45-E374 PolarHBondContact NZ-OE1 3.28Å
46S87.3Confident86.2Confident32 Ų329.2 Ų9.222%0.2247%0.067CC..Hα-helixtrans-60.4-43.6-176.8-50.10000111.6G44 S48 L49 I50G44-S46 PolarHBondContact O-N 2.67Å; S46-S48 PolarHBondContact O-N 2.91Å; S46-L49 WeakPolarHBondContact O-CB 3.29Å; S46-L49 PolarHBondContact O-N 3.48Å; S46-I50 WeakPolarHBondContact O-CD1 3.42Å; S46-I50 WeakPolarHBondContact O-CG1 3.32Å; S46-I50 PolarHBondContact O-N 2.81Å
47L87.2Confident86.1Confident7 Ų79.1 Ų9.14%0.0377%0.067CC..Hα-helixtrans-66.9-36.8177.8-169.265.6000112.4F10 P11 Y12 G44 K45 I50 C51F10-L47 HydrophobicContact CD1-CD2 4.37Å; F10-L47 HydrophobicContact CD2-CG 4.45Å; F10-L47 HydrophobicContact CE1-CD2 3.62Å; F10-L47 HydrophobicContact CE1-CG 4.33Å; F10-L47 HydrophobicContact CE2-CB 4.34Å; F10-L47 HydrophobicContact CE2-CD2 3.89Å; F10-L47 HydrophobicContact CE2-CG 3.66Å; F10-L47 HydrophobicContact CZ-CB 4.16Å; F10-L47 HydrophobicContact CZ-CD2 3.33Å; F10-L47 HydrophobicContact CZ-CG 3.6Å; P11-L47 HydrophobicContact CG-CD1 3.99Å; P11-L47 HydrophobicContact CG-CD2 3.57Å; P11-L47 HydrophobicContact CG-CG 4.25Å; Y12-L47 HydrophobicContact CE1-CD2 3.55Å; G44-L47 PolarHBondContact O-N 2.89Å; K45-L47 VanDerWaalsContact C-N 3.33Å; K45-L47 PolarHBondContact O-N 3.43Å; L47-I50 PolarHBondContact O-N 3.02Å; L47-C51 WeakPolarHBondContact O-CB 3.43Å; L47-C51 PolarHBondContact O-N 3.41Å; L47-C51 PolarHBondContact O-SG 3.16Å
48S90.3Very high86Confident2 Ų211.3 Ų11.31%0.0149%0.085CC..Hα-helixtrans-67.7-38.7175-520000111.7M22 G44 K45 S46 G52M22-S48 WeakPolarHBondContact CG-O 2.99Å; G44-S48 PolarHBondContact O-N 2.99Å; G44-S48 PolarHBondContact O-OG 3.48Å; K45-S48 PolarHBondContact O-N 3.38Å; K45-S48 VanDerWaalsContact O-N 3.17Å; S46-S48 PolarHBondContact O-N 2.91Å; S48-G52 PolarHBondContact O-N 2.87Å
49L91.5Very high86.2Confident1 Ų113 Ų131%0.00510%0.095CC..Hα-helixtrans-62.1-47.4172.1-75.4167.7000111.2F21 L25 K45 S46 A53 Y213 I371 I607 A609F21-L49 HydrophobicContact CE1-CD2 3.73Å; F21-L49 HydrophobicContact CE1-CG 3.84Å; F21-L49 HydrophobicContact CZ-CD2 3.75Å; F21-L49 HydrophobicContact CZ-CG 3.93Å; L25-L49 HydrophobicContact CD1-CD2 4.35Å; L25-L49 HydrophobicContact CD2-CD2 4.04Å; K45-L49 HydrophobicContact CG-CD1 3.96Å; K45-L49 HydrophobicContact CG-CG 4.46Å; K45-L49 WeakPolarHBondContact O-CG 3.5Å; K45-L49 PolarHBondContact O-N 3.26Å; S46-L49 WeakPolarHBondContact O-CB 3.29Å; S46-L49 PolarHBondContact O-N 3.48Å; L49-A53 WeakPolarHBondContact O-CB 3.38Å; L49-A53 PolarHBondContact O-N 3.36Å; L49-Y213 HydrophobicContact CD1-CE2 4.34Å; L49-I371 HydrophobicContact CD1-CG2 4.45Å; L49-I371 HydrophobicContact CD2-CG2 4.07Å; L49-I607 HydrophobicContact CD2-CG2 4.25Å; L49-A609 HydrophobicContact CD1-CB 3.92Å; L49-A609 HydrophobicContact CD2-CB 4.22Å
50I89.9Confident86.4Confident4 Ų414.8 Ų14.82%0.02110%0.101CC..Hα-helixtrans-59.1-58.2178.3-68162.1000110.3S46 L47 G52 A53 L54 F224 E227 V228S46-I50 WeakPolarHBondContact O-CD1 3.42Å; S46-I50 WeakPolarHBondContact O-CG1 3.32Å; S46-I50 PolarHBondContact O-N 2.81Å; L47-I50 PolarHBondContact O-N 3.02Å; I50-G52 PolarHBondContact O-N 2.9Å; I50-A53 PolarHBondContact O-N 3.35Å; I50-L54 HydrophobicContact CG2-CD1 3.6Å; I50-L54 HydrophobicContact CG2-CG 4.36Å; I50-L54 WeakPolarHBondContact O-CB 3.49Å; I50-L54 VanDerWaalsContact O-CG 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.43Å; I50-L54 PolarHBondContact O-N 2.93Å; I50-F224 HydrophobicContact CD1-CD2 3.8Å; I50-F224 HydrophobicContact CD1-CE2 3.58Å; I50-F224 HydrophobicContact CD1-CZ 4.14Å; I50-F224 HydrophobicContact CG1-CD2 3.94Å; I50-F224 HydrophobicContact CG1-CE2 3.17Å; I50-F224 HydrophobicContact CG1-CZ 3.57Å; I50-E227 HydrophobicContact CD1-CB 3.87Å; I50-V228 HydrophobicContact CD1-CG2 3.65Å; I50-V228 HydrophobicContact CG1-CG2 3.95Å; I50-V228 HydrophobicContact CG2-CG2 4.12Å
51C90.1Very high86.7Confident0 Ų017 Ų170%011%0.111CC..Hα-helixtrans-67.6-39.8-171.7-610000111.4P9 F10 M22 L47 S55P9-C51 WeakPolarHBondContact O-CB 3.36Å; F10-C51 HydrophobicContact CD2-CB 3.79Å; F10-C51 VanDerWaalsContact CD2-SG 3.53Å; F10-C51 HydrophobicContact CE2-CB 4.17Å; M22-C51 HydrophobicContact SD-CB 3.8Å; L47-C51 WeakPolarHBondContact O-CB 3.43Å; L47-C51 PolarHBondContact O-N 3.41Å; L47-C51 PolarHBondContact O-SG 3.16Å; C51-S55 WeakPolarHBondContact O-CB 3.48Å; C51-S55 PolarHBondContact O-N 3.3Å; C51-S55 VanDerWaalsContact O-N 3.09Å; C51-S55 PolarHBondContact O-OG 2.88Å
52G90.8Very high87.3Confident0 Ų019.2 Ų19.20%012%0.119CC..Hα-helixtrans-67-43.9176.700000113S48 I50 W56S48-G52 PolarHBondContact O-N 2.87Å; I50-G52 PolarHBondContact O-N 2.9Å; G52-W56 PolarHBondContact O-N 3.37Å; G52-W56 VanDerWaalsContact O-N 3.15Å
53A92.9Very high88.2Confident3 Ų322.3 Ų22.33%0.02512%0.122CC..Hα-helixtrans-74.2-40.6-17800000113.1L25 L29 L49 I50 W56 L57 I211 I371L25-A53 HydrophobicContact CD2-CB 4.38Å; L29-A53 HydrophobicContact CD1-CB 4Å; L49-A53 WeakPolarHBondContact O-CB 3.38Å; L49-A53 PolarHBondContact O-N 3.36Å; I50-A53 PolarHBondContact O-N 3.35Å; A53-W56 WeakPolarHBondContact O-CB 3.45Å; A53-W56 PolarHBondContact O-N 3.41Å; A53-L57 PolarHBondContact O-N 2.98Å; A53-I211 HydrophobicContact CB-CD1 3.84Å; A53-I211 WeakPolarHBondContact O-CD1 3.34Å; A53-I371 HydrophobicContact CB-CD1 3.62Å
54L91.8Very high88.8Confident6 Ų628.3 Ų28.33%0.03114%0.144CC..Hα-helixtrans-71.7-32.6177.6-62.3177.7000112.3I50 W56 L57 A58 I211 F233 I237 L344I50-L54 HydrophobicContact CG2-CD1 3.6Å; I50-L54 HydrophobicContact CG2-CG 4.36Å; I50-L54 WeakPolarHBondContact O-CB 3.49Å; I50-L54 VanDerWaalsContact O-CG 3.29Å; I50-L54 WeakPolarHBondContact O-CG 3.43Å; I50-L54 PolarHBondContact O-N 2.93Å; L54-W56 VanDerWaalsContact C-N 3.33Å; L54-L57 PolarHBondContact O-N 3.45Å; L54-A58 PolarHBondContact O-N 2.88Å; L54-I211 HydrophobicContact CD2-CD1 4.22Å; L54-F233 HydrophobicContact CB-CD1 4.2Å; L54-F233 HydrophobicContact CB-CD2 4.09Å; L54-F233 HydrophobicContact CB-CE1 4.33Å; L54-F233 HydrophobicContact CB-CE2 4.23Å; L54-F233 HydrophobicContact CB-CG 4.06Å; L54-F233 HydrophobicContact CB-CZ 4.34Å; L54-F233 HydrophobicContact CD1-CB 3.69Å; L54-F233 HydrophobicContact CD1-CD2 3.96Å; L54-F233 HydrophobicContact CD1-CG 3.86Å; L54-I237 HydrophobicContact CD2-CD1 3.72Å; L54-I237 HydrophobicContact CD2-CG1 4.07Å; L54-L344 HydrophobicContact CD2-CD2 4.13Å
55S91.3Very high89Confident0 Ų030.8 Ų30.80%015%0.146CC..Hα-helixtrans-61.5-44.1169.9-63.70000111.2R5 C51 A58 D59R5-S55 PolarHBondContact NH1-O 3.11Å; C51-S55 WeakPolarHBondContact O-CB 3.48Å; C51-S55 PolarHBondContact O-N 3.3Å; C51-S55 VanDerWaalsContact O-N 3.09Å; C51-S55 PolarHBondContact O-OG 2.88Å; S55-A58 PolarHBondContact O-N 2.91Å; S55-D59 WeakPolarHBondContact O-CB 3.3Å; S55-D59 PolarHBondContact O-N 3.48Å
56W93.5Very high88.9Confident2 Ų235.5 Ų35.51%0.00817%0.168CC..Hα-helixtrans-61.1-44.2173.8172.681.1000112Y26 L29 G52 A53 L54 A58 D59 Y60 T209 V369Y26-W56 HydrophobicContact CD2-CB 3.7Å; Y26-W56 HydrophobicContact CD2-CG 4.49Å; Y26-W56 HydrophobicContact CE2-CB 3.87Å; Y26-W56 HydrophobicContact CG-CB 4.47Å; L29-W56 HydrophobicContact CB-CD2 3.73Å; L29-W56 HydrophobicContact CB-CE3 4.35Å; L29-W56 HydrophobicContact CB-CG 3.75Å; L29-W56 HydrophobicContact CD1-CB 3.97Å; L29-W56 HydrophobicContact CD1-CD2 4.06Å; L29-W56 HydrophobicContact CD1-CE3 4.13Å; L29-W56 HydrophobicContact CD1-CG 3.98Å; L29-W56 HydrophobicContact CG-CD2 4.48Å; G52-W56 PolarHBondContact O-N 3.37Å; G52-W56 VanDerWaalsContact O-N 3.15Å; A53-W56 WeakPolarHBondContact O-CB 3.45Å; A53-W56 PolarHBondContact O-N 3.41Å; L54-W56 VanDerWaalsContact C-N 3.33Å; W56-A58 PolarHBondContact O-N 3.03Å; W56-D59 PolarHBondContact O-N 3.39Å; W56-Y60 HydrophobicContact CH2-CD1 4.28Å; W56-Y60 HydrophobicContact CH2-CG 4.21Å; W56-Y60 HydrophobicContact CZ2-CD1 4.33Å; W56-Y60 AromaticContact CZ2-CD2 3.84Å; W56-Y60 HydrophobicContact CZ2-CD2 3.84Å; W56-Y60 HydrophobicContact CZ2-CE2 4.3Å; W56-Y60 AromaticContact CZ2-CG 3.84Å; W56-Y60 HydrophobicContact CZ2-CG 3.84Å; W56-Y60 WeakPolarHBondContact O-CB 3.46Å; W56-Y60 PolarHBondContact O-N 3.42Å; W56-T209 HydrophobicContact CH2-CG2 4.43Å; W56-V369 HydrophobicContact CE3-CG2 4.45Å; W56-V369 HydrophobicContact CH2-CG2 3.46Å; W56-V369 VanDerWaalsContact CH2-CG2 3.46Å; W56-V369 HydrophobicContact CZ2-CG2 4.37Å; W56-V369 HydrophobicContact CZ3-CB 4.39Å; W56-V369 HydrophobicContact CZ3-CG2 3.51Å
57L90.9Very high88.8Confident2 Ų238 Ų381%0.0118%0.176CC..Hα-helixtrans-61.1-46.4180-17763.7000111.6A53 L54 Y60 E61 T209 I211 I237 Q343A53-L57 PolarHBondContact O-N 2.98Å; L54-L57 PolarHBondContact O-N 3.45Å; L57-Y60 PolarHBondContact O-N 2.95Å; L57-E61 HydrophobicContact CD1-CG 4.34Å; L57-E61 WeakPolarHBondContact O-CB 3.41Å; L57-E61 WeakPolarHBondContact O-CG 3.45Å; L57-E61 PolarHBondContact O-N 3.02Å; L57-T209 HydrophobicContact CD1-CG2 3.87Å; L57-I211 HydrophobicContact CB-CD1 3.89Å; L57-I211 HydrophobicContact CD2-CD1 4.11Å; L57-I211 HydrophobicContact CD2-CG1 4.5Å; L57-I211 HydrophobicContact CG-CD1 4.49Å; L57-I237 HydrophobicContact CD2-CD1 4.29Å; L57-Q343 HydrophobicContact CD2-CB 3.96Å
58A89Confident88.5Confident46 Ų4639.1 Ų39.138%0.3819%0.187SC..Hα-helixtrans-61.4-46.617800000111.8L54 S55 W56 Y60 E61 E62L54-A58 PolarHBondContact O-N 2.88Å; S55-A58 PolarHBondContact O-N 2.91Å; W56-A58 PolarHBondContact O-N 3.03Å; A58-Y60 VanDerWaalsContact C-N 3.33Å; A58-Y60 PolarHBondContact O-N 2.96Å; A58-E61 PolarHBondContact O-N 3.35Å; A58-E62 WeakPolarHBondContact O-CB 3.49Å; A58-E62 PolarHBondContact O-N 2.94Å
59D90.2Very high88.2Confident47 Ų4741.2 Ų41.225%0.25120%0.2SC..Hα-helixtrans-66.9-35.9179-63.3-13.3000111.7R5 Y26 S55 W56 E62 K63R5-D59 IonicContact CZ-OD1 2.76Å; R5-D59 IonicContact CZ-OD2 3.8Å; R5-D59 IonicContact NH1-OD1 2.87Å; R5-D59 PolarHBondContact NH1-OD1 3.44Å; R5-D59 IonicContact NH1-OD2 3.83Å; R5-D59 PolarHBondContact NH1-OD2 3.04Å; Y26-D59 HydrophobicContact CE2-CB 4.47Å; Y26-D59 VanDerWaalsContact CE2-OD2 3.29Å; Y26-D59 WeakPolarHBondContact CE2-OD2 3.13Å; Y26-D59 WeakPolarHBondContact OH-CB 3.3Å; Y26-D59 PolarHBondContact OH-OD2 2.93Å; S55-D59 WeakPolarHBondContact O-CB 3.3Å; S55-D59 PolarHBondContact O-N 3.48Å; W56-D59 PolarHBondContact O-N 3.39Å; D59-E62 PolarHBondContact O-N 2.85Å; D59-K63 VanDerWaalsContact O-CB 3.29Å; D59-K63 WeakPolarHBondContact O-CB 3.49Å; D59-K63 PolarHBondContact O-N 3.36Å
60Y88.9Confident87.9Confident40 Ų4043.1 Ų43.116%0.15722%0.215CC..Hα-helixtrans-69.7-42.9178.2-176.7-99.2000111.8W56 L57 A58 E62 K63 R64 T209 R604W56-Y60 HydrophobicContact CH2-CD1 4.28Å; W56-Y60 HydrophobicContact CH2-CG 4.21Å; W56-Y60 HydrophobicContact CZ2-CD1 4.33Å; W56-Y60 AromaticContact CZ2-CD2 3.84Å; W56-Y60 HydrophobicContact CZ2-CD2 3.84Å; W56-Y60 HydrophobicContact CZ2-CE2 4.3Å; W56-Y60 AromaticContact CZ2-CG 3.84Å; W56-Y60 HydrophobicContact CZ2-CG 3.84Å; W56-Y60 WeakPolarHBondContact O-CB 3.46Å; W56-Y60 PolarHBondContact O-N 3.42Å; L57-Y60 PolarHBondContact O-N 2.95Å; A58-Y60 VanDerWaalsContact C-N 3.33Å; A58-Y60 PolarHBondContact O-N 2.96Å; Y60-E62 VanDerWaalsContact C-N 3.34Å; Y60-K63 PolarHBondContact O-N 3.27Å; Y60-R64 HydrophobicContact CD1-CG 4.19Å; Y60-R64 HydrophobicContact CE1-CG 3.88Å; Y60-R64 HydrophobicContact CE2-CG 4.41Å; Y60-R64 WeakPolarHBondContact O-CB 3.46Å; Y60-R64 WeakPolarHBondContact O-CG 3.3Å; Y60-R64 PolarHBondContact O-N 2.94Å; Y60-T209 HydrophobicContact CD1-CG2 4.01Å; Y60-T209 HydrophobicContact CE1-CG2 3.9Å; Y60-R604 PolarHBondContact OH-NH1 3.44Å
61E86.4Confident87.5Confident50 Ų5047.2 Ų47.223%0.23424%0.237CC..Hα-helixtrans-61.9-42.4173.4-74.8178.4171.300111.3L57 A58 R64 R65 Q343L57-E61 HydrophobicContact CD1-CG 4.34Å; L57-E61 WeakPolarHBondContact O-CB 3.41Å; L57-E61 WeakPolarHBondContact O-CG 3.45Å; L57-E61 PolarHBondContact O-N 3.02Å; A58-E61 PolarHBondContact O-N 3.35Å; E61-R64 PolarHBondContact O-N 3.4Å; E61-R65 WeakPolarHBondContact O-CB 3.27Å; E61-R65 PolarHBondContact O-N 2.96Å; E61-Q343 PolarHBondContact OE1-NE2 3.22Å; E61-Q343 PolarHBondContact OE2-NE2 3.43Å
62E86.9Confident87.1Confident78 Ų7847.7 Ų47.736%0.36424%0.239SC..Hα-helixtrans-61.8-48.9174.9-175.362.3-130.100111.8A58 D59 Y60 R64 R65 Q66A58-E62 WeakPolarHBondContact O-CB 3.49Å; A58-E62 PolarHBondContact O-N 2.94Å; D59-E62 PolarHBondContact O-N 2.85Å; Y60-E62 VanDerWaalsContact C-N 3.34Å; E62-R64 PolarHBondContact O-N 3.42Å; E62-R65 VanDerWaalsContact O-CB 3.32Å; E62-R65 WeakPolarHBondContact O-CB 3.33Å; E62-R65 PolarHBondContact O-N 2.79Å; E62-R65 VanDerWaalsContact O-N 3.11Å; E62-R65 IonicContact OE1-NH1 3.65Å; E62-R65 PolarHBondContact OE1-NH1 2.64Å; E62-R65 IonicContact OE2-CZ 3.73Å; E62-R65 IonicContact OE2-NH1 3.2Å; E62-R65 PolarHBondContact OE2-NH1 2.92Å; E62-Q66 WeakPolarHBondContact O-CG 3.45Å; E62-Q66 PolarHBondContact O-N 3.04Å; E62-Q66 PolarHBondContact OE1-NE2 2.68Å; E62-Q66 VanDerWaalsContact OE1-NE2 3.12Å
63K87.3Confident86.7Confident105 Ų10553.6 Ų53.646%0.45727%0.267SS..Hα-helixtrans-61.1-44.4178.7-176.6176.5177179.20111.6D59 Y60 R65 Q66 E67D59-K63 VanDerWaalsContact O-CB 3.29Å; D59-K63 WeakPolarHBondContact O-CB 3.49Å; D59-K63 PolarHBondContact O-N 3.36Å; Y60-K63 PolarHBondContact O-N 3.27Å; K63-R65 VanDerWaalsContact C-N 3.26Å; K63-R65 PolarHBondContact O-N 3.47Å; K63-Q66 PolarHBondContact O-N 3.4Å; K63-E67 WeakPolarHBondContact CE-OE1 3.33Å; K63-E67 HydrophobicContact CG-CG 4.48Å; K63-E67 WeakPolarHBondContact O-CB 3.36Å; K63-E67 WeakPolarHBondContact O-CG 3.42Å; K63-E67 PolarHBondContact O-N 2.99Å
64R84.3Confident86.1Confident129 Ų12959.4 Ų59.449%0.48729%0.293SS..Hα-helixtrans-61.7-35.9175.3-73.3-121.165.3-168.4-4112Y60 E61 E62 A68Y60-R64 HydrophobicContact CD1-CG 4.19Å; Y60-R64 HydrophobicContact CE1-CG 3.88Å; Y60-R64 HydrophobicContact CE2-CG 4.41Å; Y60-R64 WeakPolarHBondContact O-CB 3.46Å; Y60-R64 WeakPolarHBondContact O-CG 3.3Å; Y60-R64 PolarHBondContact O-N 2.94Å; E61-R64 PolarHBondContact O-N 3.4Å; E62-R64 PolarHBondContact O-N 3.42Å; R64-A68 WeakPolarHBondContact O-CB 3.12Å; R64-A68 PolarHBondContact O-N 3.22Å
65R81.6Confident85.5Confident75 Ų7559.8 Ų59.828%0.28330%0.299SS..Hα-helixtrans-64-49.9174.7-167.5-172.6-59.1123.33.3110.6E61 E62 K63 E67 A68 T69 E126E61-R65 WeakPolarHBondContact O-CB 3.27Å; E61-R65 PolarHBondContact O-N 2.96Å; E62-R65 VanDerWaalsContact O-CB 3.32Å; E62-R65 WeakPolarHBondContact O-CB 3.33Å; E62-R65 PolarHBondContact O-N 2.79Å; E62-R65 VanDerWaalsContact O-N 3.11Å; E62-R65 IonicContact OE1-NH1 3.65Å; E62-R65 PolarHBondContact OE1-NH1 2.64Å; E62-R65 IonicContact OE2-CZ 3.73Å; E62-R65 IonicContact OE2-NH1 3.2Å; E62-R65 PolarHBondContact OE2-NH1 2.92Å; K63-R65 VanDerWaalsContact C-N 3.26Å; K63-R65 PolarHBondContact O-N 3.47Å; R65-E67 PolarHBondContact O-N 2.91Å; R65-A68 PolarHBondContact O-N 3.41Å; R65-T69 PolarHBondContact O-N 3.19Å; R65-T69 PolarHBondContact O-OG1 3.24Å; R65-E126 IonicContact NH2-OE1 2.86Å
66Q85.4Confident84.9Confident116 Ų11663.9 Ų63.954%0.54232%0.318SS..Hα-helixtrans-62-43.3179.3-68173.9800112.2E62 K63 T69 A70E62-Q66 WeakPolarHBondContact O-CG 3.45Å; E62-Q66 PolarHBondContact O-N 3.04Å; E62-Q66 PolarHBondContact OE1-NE2 2.68Å; E62-Q66 VanDerWaalsContact OE1-NE2 3.12Å; K63-Q66 PolarHBondContact O-N 3.4Å; Q66-T69 PolarHBondContact O-N 2.99Å; Q66-A70 WeakPolarHBondContact O-CB 3.17Å; Q66-A70 PolarHBondContact O-N 3.09Å
67E84.3Confident84.1Confident85 Ų8566.2 Ų66.240%0.39734%0.338SS..Hα-helixtrans-60.8-44.1174.9-73.7171.6-178.500111.8K63 R65 A70 L71K63-E67 WeakPolarHBondContact CE-OE1 3.33Å; K63-E67 HydrophobicContact CG-CG 4.48Å; K63-E67 WeakPolarHBondContact O-CB 3.36Å; K63-E67 WeakPolarHBondContact O-CG 3.42Å; K63-E67 PolarHBondContact O-N 2.99Å; R65-E67 PolarHBondContact O-N 2.91Å; E67-A70 PolarHBondContact O-N 3.15Å; E67-L71 WeakPolarHBondContact O-CB 3.35Å; E67-L71 VanDerWaalsContact O-CG 3.31Å; E67-L71 WeakPolarHBondContact O-CG 3.44Å; E67-L71 PolarHBondContact O-N 3.49Å
68A80.6Confident83.3Confident31 Ų3169.1 Ų69.126%0.25636%0.359SS..Hα-helixtrans-64.4-44177.600000111.9R64 R65 L71 L72R64-A68 WeakPolarHBondContact O-CB 3.12Å; R64-A68 PolarHBondContact O-N 3.22Å; R65-A68 PolarHBondContact O-N 3.41Å; A68-L71 PolarHBondContact O-N 3.47Å; A68-L72 WeakPolarHBondContact O-CB 3.25Å; A68-L72 WeakPolarHBondContact O-CG 3.2Å; A68-L72 PolarHBondContact O-N 3.46Å
69T84.1Confident82.5Confident46 Ų4669.1 Ų69.128%0.28235%0.352SS..Hα-helixtrans-64.3-39.7176.4-55.20000111.8R65 Q66 L72 Q73R65-T69 PolarHBondContact O-N 3.19Å; R65-T69 PolarHBondContact O-OG1 3.24Å; Q66-T69 PolarHBondContact O-N 2.99Å; T69-L72 PolarHBondContact O-N 2.9Å; T69-Q73 WeakPolarHBondContact O-CG 3.32Å; T69-Q73 PolarHBondContact O-N 3.3Å
70A84.9Confident81.5Confident41 Ų4170.5 Ų70.534%0.33937%0.365SS..Hα-helixtrans-64.6-47176.300000111.9Q66 E67 L72 Q73 E74Q66-A70 WeakPolarHBondContact O-CB 3.17Å; Q66-A70 PolarHBondContact O-N 3.09Å; E67-A70 PolarHBondContact O-N 3.15Å; A70-L72 VanDerWaalsContact C-N 3.28Å; A70-L72 PolarHBondContact O-N 3.03Å; A70-Q73 PolarHBondContact O-N 2.94Å; A70-Q73 VanDerWaalsContact O-N 3.16Å; A70-E74 WeakPolarHBondContact O-CG 3.31Å; A70-E74 PolarHBondContact O-N 2.92Å
71L82.2Confident80.2Confident90 Ų9072.3 Ų72.347%0.47139%0.388SS..Hα-helixtrans-61.3-36.6176.1-73.7170.8000112.4E67 A68 G75 L115E67-L71 WeakPolarHBondContact O-CB 3.35Å; E67-L71 VanDerWaalsContact O-CG 3.31Å; E67-L71 WeakPolarHBondContact O-CG 3.44Å; E67-L71 PolarHBondContact O-N 3.49Å; A68-L71 PolarHBondContact O-N 3.47Å; L71-G75 PolarHBondContact O-N 3.35Å; L71-L115 HydrophobicContact CB-CD1 4.1Å
72L82.5Confident78.7Confident9 Ų973.3 Ų73.35%0.04740%0.401CS..Hα-helixtrans-64.2-46.3173.6-81.9169.2000111.8A68 T69 A70 G75 E76 V112 L115 K116 E119A68-L72 WeakPolarHBondContact O-CB 3.25Å; A68-L72 WeakPolarHBondContact O-CG 3.2Å; A68-L72 PolarHBondContact O-N 3.46Å; T69-L72 PolarHBondContact O-N 2.9Å; A70-L72 VanDerWaalsContact C-N 3.28Å; A70-L72 PolarHBondContact O-N 3.03Å; L72-G75 PolarHBondContact O-N 2.98Å; L72-E76 WeakPolarHBondContact O-CB 3.49Å; L72-E76 VanDerWaalsContact O-CG 3.3Å; L72-E76 WeakPolarHBondContact O-CG 3.49Å; L72-E76 PolarHBondContact O-N 3.11Å; L72-V112 HydrophobicContact CD2-CG1 4.34Å; L72-L115 HydrophobicContact CD1-CB 4.32Å; L72-L115 HydrophobicContact CD2-CB 3.39Å; L72-L115 HydrophobicContact CD2-CD1 4.35Å; L72-L115 HydrophobicContact CG-CB 3.79Å; L72-L115 HydrophobicContact CG-CD1 4.4Å; L72-K116 HydrophobicContact CD2-CG 3.71Å; L72-E119 HydrophobicContact CD1-CB 4.33Å; L72-E119 WeakPolarHBondContact CD1-OE2 3.42Å
73Q81.9Confident76.9Confident124 Ų12473.5 Ų73.558%0.57942%0.416SS*.Hα-helixtrans-63-43176.8-72.9175.52.300112T69 A70 E76 A77T69-Q73 WeakPolarHBondContact O-CG 3.32Å; T69-Q73 PolarHBondContact O-N 3.3Å; A70-Q73 PolarHBondContact O-N 2.94Å; A70-Q73 VanDerWaalsContact O-N 3.16Å; Q73-E76 PolarHBondContact O-N 2.72Å; Q73-A77 WeakPolarHBondContact O-CB 3.32Å; Q73-A77 PolarHBondContact O-N 2.94Å
74E81.1Confident74.7Confident125 Ų12571.8 Ų71.858%0.58442%0.421SS*.Hα-helixtrans-64-42.6176-74.2178.5-179.200112.2A70 A77 S78A70-E74 WeakPolarHBondContact O-CG 3.31Å; A70-E74 PolarHBondContact O-N 2.92Å; E74-A77 PolarHBondContact O-N 2.85Å; E74-S78 WeakPolarHBondContact O-CB 3.32Å; E74-S78 PolarHBondContact O-N 2.59Å; E74-S78 PolarHBondContact O-OG 3.13Å
75G77.4Confident72.7Confident15 Ų1571.6 Ų71.616%0.15544%0.436CS..Hα-helixtrans-65.7-42.1176.800000112.6L71 L72 S78 L79L71-G75 PolarHBondContact O-N 3.35Å; L72-G75 PolarHBondContact O-N 2.98Å; G75-S78 PolarHBondContact O-N 2.81Å; G75-L79 WeakPolarHBondContact O-CB 3.36Å; G75-L79 WeakPolarHBondContact O-CD1 3.36Å; G75-L79 VanDerWaalsContact O-CG 3.24Å; G75-L79 WeakPolarHBondContact O-CG 3.46Å; G75-L79 PolarHBondContact O-N 3.06Å
76E80.1Confident70.8Confident86 Ų8673.6 Ų73.640%0.40246%0.462SS..Hα-helixtrans-67-38.5174.3-73.1-175.7158.400112.6L72 Q73 L79 S80 V112 K116L72-E76 WeakPolarHBondContact O-CB 3.49Å; L72-E76 VanDerWaalsContact O-CG 3.3Å; L72-E76 WeakPolarHBondContact O-CG 3.49Å; L72-E76 PolarHBondContact O-N 3.11Å; Q73-E76 PolarHBondContact O-N 2.72Å; E76-L79 PolarHBondContact O-N 2.62Å; E76-S80 WeakPolarHBondContact O-CB 3.26Å; E76-S80 PolarHBondContact O-N 2.9Å; E76-S80 PolarHBondContact O-OG 3.37Å; E76-V112 HydrophobicContact CG-CG1 4.38Å; E76-K116 WeakPolarHBondContact OE1-CE 3.39Å; E76-K116 IonicContact OE1-NZ 2.67Å; E76-K116 PolarHBondContact OE1-NZ 2.79Å
77A77.1Confident68.8Low51 Ų5173.5 Ų73.542%0.42147%0.474SS..Hα-helixtrans-64.6-41.8174.300000111.5Q73 E74 S80 A81Q73-A77 WeakPolarHBondContact O-CB 3.32Å; Q73-A77 PolarHBondContact O-N 2.94Å; E74-A77 PolarHBondContact O-N 2.85Å; A77-S80 WeakPolarHBondContact CA-OG 3.42Å; A77-S80 PolarHBondContact O-N 2.89Å; A77-S80 PolarHBondContact O-OG 3.36Å; A77-S80 VanDerWaalsContact O-OG 3.08Å; A77-A81 VanDerWaalsContact O-CB 3.26Å; A77-A81 WeakPolarHBondContact O-CB 3.27Å; A77-A81 PolarHBondContact O-N 2.9Å
78S73.6Confident66.6Low63 Ų6375.1 Ų75.144%0.44150%0.495SS..Hα-helixtrans-64.9-39.4176.7-59.20000112.1E74 G75 S82E74-S78 WeakPolarHBondContact O-CB 3.32Å; E74-S78 PolarHBondContact O-N 2.59Å; E74-S78 PolarHBondContact O-OG 3.13Å; G75-S78 PolarHBondContact O-N 2.81Å; S78-S82 PolarHBondContact O-N 2.79Å; S78-S82 PolarHBondContact O-OG 3.46Å
79L71.6Confident64.7Low45 Ų4579 Ų7924%0.23652%0.52CS..Hα-helixtrans-70.4-28175.8-72.1167.9000113.8G75 E76 R109 V112G75-L79 WeakPolarHBondContact O-CB 3.36Å; G75-L79 WeakPolarHBondContact O-CD1 3.36Å; G75-L79 VanDerWaalsContact O-CG 3.24Å; G75-L79 WeakPolarHBondContact O-CG 3.46Å; G75-L79 PolarHBondContact O-N 3.06Å; E76-L79 PolarHBondContact O-N 2.62Å; L79-R109 HydrophobicContact CD1-CG 4.3Å; L79-R109 HydrophobicContact CD2-CG 3.39Å; L79-V112 HydrophobicContact CD1-CB 4.24Å; L79-V112 HydrophobicContact CD1-CG1 4.27Å; L79-V112 HydrophobicContact CD1-CG2 4.05Å
80S69.4Low62.5Low77 Ų7782.2 Ų82.254%0.53854%0.544SS..Hα-helixtrans-90.7-37-179.752.10000113.2E76 A77 S82 A83E76-S80 WeakPolarHBondContact O-CB 3.26Å; E76-S80 PolarHBondContact O-N 2.9Å; E76-S80 PolarHBondContact O-OG 3.37Å; A77-S80 WeakPolarHBondContact CA-OG 3.42Å; A77-S80 PolarHBondContact O-N 2.89Å; A77-S80 PolarHBondContact O-OG 3.36Å; A77-S80 VanDerWaalsContact O-OG 3.08Å; S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 3.25Å; S80-A83 WeakPolarHBondContact O-CB 3.47Å; S80-A83 PolarHBondContact O-N 3.27Å
81A61.8Low60.2Low77 Ų7785.6 Ų85.664%0.63657%0.566SS**Hα-helixtrans-65.2-31.3175.700000112.8A77 A83A77-A81 VanDerWaalsContact O-CB 3.26Å; A77-A81 WeakPolarHBondContact O-CB 3.27Å; A77-A81 PolarHBondContact O-N 2.9Å; A81-A83 VanDerWaalsContact C-N 3.29Å; A81-A83 PolarHBondContact O-N 3.49Å
82S53.8Low58.1Low72 Ų7285.7 Ų85.750%0.50358%0.579SS.*THydrogen-bonded Turntrans-83.60.9176.652.40000114.3S78 S80S78-S82 PolarHBondContact O-N 2.79Å; S78-S82 PolarHBondContact O-OG 3.46Å; S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 3.25Å
83A49.8Very low56.1Low81 Ų8191.1 Ų91.167%0.66962%0.618SS**THydrogen-bonded Turntrans-94.6-5.4173.700000113.8S80 A81S80-A83 WeakPolarHBondContact O-CB 3.47Å; S80-A83 PolarHBondContact O-N 3.27Å; A81-A83 VanDerWaalsContact C-N 3.29Å; A81-A83 PolarHBondContact O-N 3.49Å
84A41.5Very low54.3Low69 Ų6989.8 Ų89.857%0.5763%0.628SS**SBendtrans-83.2123.4173.500000110.3S86A84-S86 PolarHBondContact O-N 2.91Å
85P42.8Very low52.6Low125 Ų12592.6 Ų92.681%0.81264%0.642SS**  trans-72.6103.2177.428.2-30000109.3S87P85-S87 PolarHBondContact O-N 3.42Å; P85-S87 VanDerWaalsContact O-N 3.11Å
86S40.8Very low51.3Low118 Ų11897 Ų9783%0.82567%0.668SS**  trans-75.497170.758.50000109.7A84 S88A84-S86 PolarHBondContact O-N 2.91Å; S86-S88 PolarHBondContact O-N 3.4Å
87S43.9Very low50.5Low113 Ų11397.9 Ų97.979%0.7968%0.675SS**  trans-81.896.3166.557.30000110.6P85P85-S87 PolarHBondContact O-N 3.42Å; P85-S87 VanDerWaalsContact O-N 3.11Å
88S37.4Very low50Low120 Ų120103.7 Ų103.784%0.83969%0.686SS**  trans-178.8144.5145.2510000111.9S86S86-S88 PolarHBondContact O-N 3.4Å
89S40.8Very low49.7Very low111 Ų111105.2 Ų105.278%0.77669%0.688SS**  trans-98.3167.1-154.149.20000117.2
90S37.9Very low49.8Very low114 Ų114106.3 Ų106.380%0.79770%0.697SS**  trans88.6135.3155.274.80000117.2
91S36.3Very low49.9Very low112 Ų112106.1 Ų106.178%0.78369%0.69SS**  cis-168.6155.16.946.90000111.3
92A38Very low50.4Low92 Ų92108.3 Ų108.376%0.7669%0.685SS**  trans92.6110.815000000121.4
93S42.1Very low51.6Low123 Ų123109.1 Ų109.186%0.8669%0.687SS**  trans59.980.6146.870.10000120.5
94A44.1Very low52.8Low96 Ų96110.7 Ų110.779%0.79368%0.68SS**  trans-156.6142.5139.700000107.6
95E44Very low54.4Low185 Ų185110.5 Ų110.586%0.86467%0.666SS**  trans-52.6137.5173-68.8-179.8150.700110D97E95-D97 PolarHBondContact O-N 2.87Å; E95-D97 VanDerWaalsContact O-N 3.13Å
96P51.8Low56.3Low108 Ų108110.2 Ų110.270%0.70165%0.652SS**  trans-70.6115.2-169.626.3-32.1000110.7W98P96-W98 VanDerWaalsContact O-CD1 3.23Å; P96-W98 PolarHBondContact O-N 3.46Å
97D63.2Low58.1Low104 Ų104107.3 Ų107.356%0.55664%0.636SS**  trans-79.249.2-178.8-154.915.4000111.8E95 I99 T100 D101E95-D97 PolarHBondContact O-N 2.87Å; E95-D97 VanDerWaalsContact O-N 3.13Å; D97-I99 PolarHBondContact O-N 3.45Å; D97-T100 PolarHBondContact O-OG1 3.12Å; D97-T100 VanDerWaalsContact O-OG1 3.06Å; D97-T100 WeakPolarHBondContact OD1-CG2 3.31Å; D97-T100 PolarHBondContact OD1-OG1 2.94Å; D97-T100 PolarHBondContact OD2-OG1 3.25Å; D97-D101 PolarHBondContact O-N 2.95Å
98W66.8Low59.7Low173 Ų173105.1 Ų105.166%0.65561%0.613SS**Hα-helixtrans-69.6-24-175.768.7-90.4000112.5P96 F102P96-W98 VanDerWaalsContact O-CD1 3.23Å; P96-W98 PolarHBondContact O-N 3.46Å; W98-F102 VanDerWaalsContact O-CB 3.22Å; W98-F102 WeakPolarHBondContact O-CB 3.44Å; W98-F102 PolarHBondContact O-N 2.83Å
99I66.8Low61.6Low95 Ų95106.4 Ų106.449%0.48760%0.6SS.*Hα-helixtrans-75.6-44.3-179.6-60.6176.9000110.3D97 F102 V103D97-I99 PolarHBondContact O-N 3.45Å; I99-F102 PolarHBondContact O-N 3.39Å; I99-V103 HydrophobicContact CG2-CG2 4.48Å; I99-V103 WeakPolarHBondContact O-CB 3.41Å; I99-V103 WeakPolarHBondContact O-CG2 3.44Å; I99-V103 PolarHBondContact O-N 2.93Å
100T72.2Confident63.5Low68 Ų68104.9 Ų104.942%0.41758%0.583SS.*Hα-helixtrans-68.5-40.2177.460.30000111D97 F102 V103 Q104D97-T100 PolarHBondContact O-OG1 3.12Å; D97-T100 VanDerWaalsContact O-OG1 3.06Å; D97-T100 WeakPolarHBondContact OD1-CG2 3.31Å; D97-T100 PolarHBondContact OD1-OG1 2.94Å; D97-T100 PolarHBondContact OD2-OG1 3.25Å; T100-F102 VanDerWaalsContact C-N 3.34Å; T100-F102 PolarHBondContact O-N 3.15Å; T100-V103 PolarHBondContact O-N 2.9Å; T100-Q104 VanDerWaalsContact O-CB 3.25Å; T100-Q104 WeakPolarHBondContact O-CB 3.38Å; T100-Q104 PolarHBondContact O-N 3.26Å
101D71.6Confident65.5Low72 Ų72104.3 Ų104.339%0.38557%0.57SS.*Hα-helixtrans-63.6-38.8175.6-173.540.4000111.3D97 K105D97-D101 PolarHBondContact O-N 2.95Å; D101-K105 VanDerWaalsContact O-CB 3.27Å; D101-K105 WeakPolarHBondContact O-CB 3.43Å; D101-K105 WeakPolarHBondContact O-CD 3.31Å; D101-K105 WeakPolarHBondContact O-CG 3.4Å; D101-K105 PolarHBondContact O-N 3.01Å; D101-K105 VanDerWaalsContact OD1-CE 3.28Å; D101-K105 WeakPolarHBondContact OD1-CE 3.42Å; D101-K105 IonicContact OD1-NZ 3.96Å; D101-K105 PolarHBondContact OD1-NZ 3.44Å; D101-K105 WeakPolarHBondContact OD2-CE 3.14Å; D101-K105 IonicContact OD2-NZ 3.75Å; D101-K105 PolarHBondContact OD2-NZ 3.11Å
102F73.4Confident67.7Low124 Ų12499.4 Ų99.454%0.54454%0.536SS..Hα-helixtrans-67.4-42.4172.9-178.2-95.9000112.9W98 I99 T100 K105 K106W98-F102 VanDerWaalsContact O-CB 3.22Å; W98-F102 WeakPolarHBondContact O-CB 3.44Å; W98-F102 PolarHBondContact O-N 2.83Å; I99-F102 PolarHBondContact O-N 3.39Å; T100-F102 VanDerWaalsContact C-N 3.34Å; T100-F102 PolarHBondContact O-N 3.15Å; F102-K105 PolarHBondContact O-N 3.48Å; F102-K106 VanDerWaalsContact O-CB 3.32Å; F102-K106 WeakPolarHBondContact O-CB 3.16Å; F102-K106 PolarHBondContact O-N 2.89Å
103V78.3Confident69.8Low88 Ų8898.5 Ų98.553%0.53352%0.524SS..Hα-helixtrans-64.9-41.2176.9169.30000110.8I99 T100 K106 A107I99-V103 HydrophobicContact CG2-CG2 4.48Å; I99-V103 WeakPolarHBondContact O-CB 3.41Å; I99-V103 WeakPolarHBondContact O-CG2 3.44Å; I99-V103 PolarHBondContact O-N 2.93Å; T100-V103 PolarHBondContact O-N 2.9Å; V103-K106 PolarHBondContact O-N 2.94Å; V103-A107 WeakPolarHBondContact O-CB 3.46Å; V103-A107 PolarHBondContact O-N 2.89Å
104Q75.1Confident71.7Confident114 Ų11498.9 Ų98.953%0.53351%0.51SS..Hα-helixtrans-66.1-46.7176.6-173.4171.9-10.500111.1T100 K106 A107 E108T100-Q104 VanDerWaalsContact O-CB 3.25Å; T100-Q104 WeakPolarHBondContact O-CB 3.38Å; T100-Q104 PolarHBondContact O-N 3.26Å; Q104-K106 VanDerWaalsContact C-N 3.31Å; Q104-K106 PolarHBondContact O-N 3.24Å; Q104-A107 WeakPolarHBondContact O-CB 3.42Å; Q104-A107 PolarHBondContact O-N 3.05Å; Q104-A107 VanDerWaalsContact O-N 3.15Å; Q104-E108 PolarHBondContact NE2-OE1 2.71Å; Q104-E108 WeakPolarHBondContact O-CB 3.29Å; Q104-E108 WeakPolarHBondContact O-CG 3.47Å; Q104-E108 PolarHBondContact O-N 2.58Å
105K76.4Confident73.4Confident65 Ų6595.6 Ų95.628%0.28348%0.479SS..Hα-helixtrans-60.3-38.8174-77.1169.3179.5165.90112.9D101 F102 R109D101-K105 VanDerWaalsContact O-CB 3.27Å; D101-K105 WeakPolarHBondContact O-CB 3.43Å; D101-K105 WeakPolarHBondContact O-CD 3.31Å; D101-K105 WeakPolarHBondContact O-CG 3.4Å; D101-K105 PolarHBondContact O-N 3.01Å; D101-K105 VanDerWaalsContact OD1-CE 3.28Å; D101-K105 WeakPolarHBondContact OD1-CE 3.42Å; D101-K105 IonicContact OD1-NZ 3.96Å; D101-K105 PolarHBondContact OD1-NZ 3.44Å; D101-K105 WeakPolarHBondContact OD2-CE 3.14Å; D101-K105 IonicContact OD2-NZ 3.75Å; D101-K105 PolarHBondContact OD2-NZ 3.11Å; F102-K105 PolarHBondContact O-N 3.48Å; K105-R109 WeakPolarHBondContact O-CB 3.25Å; K105-R109 VanDerWaalsContact O-CG 3.29Å; K105-R109 WeakPolarHBondContact O-CG 3.29Å; K105-R109 PolarHBondContact O-N 2.88Å
106K80.8Confident75.1Confident119 Ų11991.5 Ų91.552%0.51746%0.458SS..Hα-helixtrans-65.5-45.2174.6-174.7177.3177.9-179.70110.7F102 V103 Q104 E108 R109 D110F102-K106 VanDerWaalsContact O-CB 3.32Å; F102-K106 WeakPolarHBondContact O-CB 3.16Å; F102-K106 PolarHBondContact O-N 2.89Å; V103-K106 PolarHBondContact O-N 2.94Å; Q104-K106 VanDerWaalsContact C-N 3.31Å; Q104-K106 PolarHBondContact O-N 3.24Å; K106-E108 VanDerWaalsContact C-N 3.34Å; K106-E108 PolarHBondContact O-N 3.34Å; K106-R109 PolarHBondContact O-N 3.03Å; K106-D110 VanDerWaalsContact O-CB 3.31Å; K106-D110 WeakPolarHBondContact O-CB 3.09Å; K106-D110 PolarHBondContact O-N 2.73Å
107A79.9Confident76.5Confident58 Ų5891 Ų9148%0.47945%0.447SS..Hα-helixtrans-62-40.1176.400000112.4V103 Q104 L111V103-A107 WeakPolarHBondContact O-CB 3.46Å; V103-A107 PolarHBondContact O-N 2.89Å; Q104-A107 WeakPolarHBondContact O-CB 3.42Å; Q104-A107 PolarHBondContact O-N 3.05Å; Q104-A107 VanDerWaalsContact O-N 3.15Å; A107-L111 VanDerWaalsContact O-CB 3.26Å; A107-L111 WeakPolarHBondContact O-CB 3.29Å; A107-L111 PolarHBondContact O-N 2.81Å
108E76.8Confident77.1Confident67 Ų6791.4 Ų91.431%0.31345%0.445SS..Hα-helixtrans-66.1-44.3175.5-73.9171.6-172.300112Q104 K106 L111 V112Q104-E108 PolarHBondContact NE2-OE1 2.71Å; Q104-E108 WeakPolarHBondContact O-CB 3.29Å; Q104-E108 WeakPolarHBondContact O-CG 3.47Å; Q104-E108 PolarHBondContact O-N 2.58Å; K106-E108 VanDerWaalsContact C-N 3.34Å; K106-E108 PolarHBondContact O-N 3.34Å; E108-L111 PolarHBondContact O-N 2.96Å; E108-V112 WeakPolarHBondContact O-CG2 3.49Å; E108-V112 PolarHBondContact O-N 2.91Å
109R78.3Confident77.7Confident146 Ų14686.1 Ų86.155%0.55143%0.428SS*.Hα-helixtrans-62.2-44.9173.8-75.6179.2-176.4160.31.1112.2L79 K105 K106 L111 V112 S113L79-R109 HydrophobicContact CD1-CG 4.3Å; L79-R109 HydrophobicContact CD2-CG 3.39Å; K105-R109 WeakPolarHBondContact O-CB 3.25Å; K105-R109 VanDerWaalsContact O-CG 3.29Å; K105-R109 WeakPolarHBondContact O-CG 3.29Å; K105-R109 PolarHBondContact O-N 2.88Å; K106-R109 PolarHBondContact O-N 3.03Å; R109-L111 VanDerWaalsContact C-N 3.27Å; R109-L111 PolarHBondContact O-N 3.03Å; R109-V112 PolarHBondContact O-N 3.11Å; R109-S113 WeakPolarHBondContact O-CB 3.34Å; R109-S113 PolarHBondContact O-N 3.24Å
110D80.9Confident78.2Confident79 Ų7986.2 Ų86.242%0.42243%0.429SS..Hα-helixtrans-63.8-36.4177.9-70.6-11.8000110.6K106 K114K106-D110 VanDerWaalsContact O-CB 3.31Å; K106-D110 WeakPolarHBondContact O-CB 3.09Å; K106-D110 PolarHBondContact O-N 2.73Å; D110-K114 WeakPolarHBondContact O-CB 3.33Å; D110-K114 VanDerWaalsContact O-CG 3.27Å; D110-K114 WeakPolarHBondContact O-CG 3.47Å; D110-K114 PolarHBondContact O-N 2.77Å
111L79.6Confident78.5Confident102 Ų10286.8 Ų86.853%0.53443%0.425SS..Hα-helixtrans-67.2-48.8175.2-176.765.1000111.9A107 E108 R109 S113 K114 L115A107-L111 VanDerWaalsContact O-CB 3.26Å; A107-L111 WeakPolarHBondContact O-CB 3.29Å; A107-L111 PolarHBondContact O-N 2.81Å; E108-L111 PolarHBondContact O-N 2.96Å; R109-L111 VanDerWaalsContact C-N 3.27Å; R109-L111 PolarHBondContact O-N 3.03Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 3.48Å; L111-K114 PolarHBondContact O-N 3.14Å; L111-L115 HydrophobicContact CG-CD1 4.27Å; L111-L115 WeakPolarHBondContact O-CG 3.35Å; L111-L115 PolarHBondContact O-N 3.43Å
112V82.1Confident78.6Confident10 Ų1086.8 Ų86.86%0.06142%0.42CS..Hα-helixtrans-62.1-41.2177.21720000111L72 E76 L79 E108 R109 K114 L115 K116L72-V112 HydrophobicContact CD2-CG1 4.34Å; E76-V112 HydrophobicContact CG-CG1 4.38Å; L79-V112 HydrophobicContact CD1-CB 4.24Å; L79-V112 HydrophobicContact CD1-CG1 4.27Å; L79-V112 HydrophobicContact CD1-CG2 4.05Å; E108-V112 WeakPolarHBondContact O-CG2 3.49Å; E108-V112 PolarHBondContact O-N 2.91Å; R109-V112 PolarHBondContact O-N 3.11Å; V112-K114 VanDerWaalsContact C-N 3.35Å; V112-K114 PolarHBondContact O-N 3.29Å; V112-L115 PolarHBondContact O-N 2.99Å; V112-K116 HydrophobicContact CG1-CD 4.33Å; V112-K116 WeakPolarHBondContact O-CG 3.12Å; V112-K116 PolarHBondContact O-N 3.47Å
113S81.2Confident78.8Confident73 Ų7386.5 Ų86.551%0.5142%0.418SS..Hα-helixtrans-60.9-43.6175.9-170.30000111.8R109 L111 K116 E117R109-S113 WeakPolarHBondContact O-CB 3.34Å; R109-S113 PolarHBondContact O-N 3.24Å; L111-S113 VanDerWaalsContact C-N 3.33Å; L111-S113 PolarHBondContact O-N 3.48Å; S113-K116 PolarHBondContact O-N 2.89Å; S113-E117 WeakPolarHBondContact O-CB 3.2Å; S113-E117 PolarHBondContact O-N 3.09Å
114K82.4Confident78.8Confident131 Ų13188.4 Ų88.457%0.5742%0.42SS*.Hα-helixtrans-62.9-46.2175.7-77.5173.2-177.7175.40112.1D110 L111 V112 K116 E117 E118D110-K114 WeakPolarHBondContact O-CB 3.33Å; D110-K114 VanDerWaalsContact O-CG 3.27Å; D110-K114 WeakPolarHBondContact O-CG 3.47Å; D110-K114 PolarHBondContact O-N 2.77Å; L111-K114 PolarHBondContact O-N 3.14Å; V112-K114 VanDerWaalsContact C-N 3.35Å; V112-K114 PolarHBondContact O-N 3.29Å; K114-K116 VanDerWaalsContact C-N 3.32Å; K114-K116 PolarHBondContact O-N 2.95Å; K114-E117 PolarHBondContact O-N 3.43Å; K114-E118 WeakPolarHBondContact O-CG 3.36Å; K114-E118 PolarHBondContact O-N 3.22Å
115L79.1Confident78.7Confident26 Ų2686.3 Ų86.314%0.13641%0.407CS..Hα-helixtrans-62.2-39178.6-70.2172.9000111.9L71 L72 L111 V112 E118 E119L71-L115 HydrophobicContact CB-CD1 4.1Å; L72-L115 HydrophobicContact CD1-CB 4.32Å; L72-L115 HydrophobicContact CD2-CB 3.39Å; L72-L115 HydrophobicContact CD2-CD1 4.35Å; L72-L115 HydrophobicContact CG-CB 3.79Å; L72-L115 HydrophobicContact CG-CD1 4.4Å; L111-L115 HydrophobicContact CG-CD1 4.27Å; L111-L115 WeakPolarHBondContact O-CG 3.35Å; L111-L115 PolarHBondContact O-N 3.43Å; V112-L115 PolarHBondContact O-N 2.99Å; L115-E118 PolarHBondContact O-N 2.94Å; L115-E119 WeakPolarHBondContact O-CB 3.44Å; L115-E119 PolarHBondContact O-N 3.04Å
116K79.9Confident78.6Confident100 Ų10087.3 Ų87.344%0.43541%0.412SS..Hα-helixtrans-64.8-41.8174.7-76.3-176.2179.3-171.60112.3L72 E76 V112 S113 K114 E119 L120L72-K116 HydrophobicContact CD2-CG 3.71Å; E76-K116 WeakPolarHBondContact OE1-CE 3.39Å; E76-K116 IonicContact OE1-NZ 2.67Å; E76-K116 PolarHBondContact OE1-NZ 2.79Å; V112-K116 HydrophobicContact CG1-CD 4.33Å; V112-K116 WeakPolarHBondContact O-CG 3.12Å; V112-K116 PolarHBondContact O-N 3.47Å; S113-K116 PolarHBondContact O-N 2.89Å; K114-K116 VanDerWaalsContact C-N 3.32Å; K114-K116 PolarHBondContact O-N 2.95Å; K116-E119 PolarHBondContact O-N 3.41Å; K116-L120 WeakPolarHBondContact O-CB 3.44Å; K116-L120 PolarHBondContact O-N 3.27Å
117E81.6Confident78.5Confident98 Ų9885.6 Ų85.646%0.45841%0.406SS..Hα-helixtrans-63.8-44.3176.8-167-170.1153.100111.2S113 K114 L120 K121S113-E117 WeakPolarHBondContact O-CB 3.2Å; S113-E117 PolarHBondContact O-N 3.09Å; K114-E117 PolarHBondContact O-N 3.43Å; E117-L120 PolarHBondContact O-N 2.87Å; E117-K121 HydrophobicContact CG-CD 4.48Å; E117-K121 WeakPolarHBondContact O-CB 3Å; E117-K121 VanDerWaalsContact O-CG 3.3Å; E117-K121 WeakPolarHBondContact O-CG 3.32Å; E117-K121 PolarHBondContact O-N 3.49Å; E117-K121 WeakPolarHBondContact OE1-CE 3.26Å; E117-K121 IonicContact OE1-NZ 3.27Å; E117-K121 PolarHBondContact OE1-NZ 3.24Å
118E76.6Confident78.4Confident111 Ų11187.6 Ų87.652%0.51940%0.401SS..Hα-helixtrans-60.2-43.9174.6-74.7-177.9-179.300111.9K114 L115 K121 R122K114-E118 WeakPolarHBondContact O-CG 3.36Å; K114-E118 PolarHBondContact O-N 3.22Å; L115-E118 PolarHBondContact O-N 2.94Å; E118-K121 PolarHBondContact O-N 3.37Å; E118-R122 WeakPolarHBondContact O-CB 3.29Å; E118-R122 PolarHBondContact O-N 3Å
119E78.1Confident78.3Confident63 Ų6385.6 Ų85.629%0.29439%0.392SS..Hα-helixtrans-66.4-41.1178.2-177158.2-142.700112.6L72 L115 K116 R122 K123L72-E119 HydrophobicContact CD1-CB 4.33Å; L72-E119 WeakPolarHBondContact CD1-OE2 3.42Å; L115-E119 WeakPolarHBondContact O-CB 3.44Å; L115-E119 PolarHBondContact O-N 3.04Å; K116-E119 PolarHBondContact O-N 3.41Å; E119-R122 WeakPolarHBondContact O-CB 3.31Å; E119-R122 PolarHBondContact O-N 3.27Å; E119-R122 IonicContact OE1-NH2 2.64Å; E119-K123 PolarHBondContact O-N 3.11Å
120L78.9Confident78.2Confident97 Ų9784.4 Ų84.451%0.50839%0.393SS..Hα-helixtrans-63.2-43.4175.3-176.367.2000111.5K116 E117 R122 K123 K124K116-L120 WeakPolarHBondContact O-CB 3.44Å; K116-L120 PolarHBondContact O-N 3.27Å; E117-L120 PolarHBondContact O-N 2.87Å; L120-R122 VanDerWaalsContact C-N 3.31Å; L120-R122 PolarHBondContact O-N 3.46Å; L120-K123 PolarHBondContact O-N 2.7Å; L120-K124 WeakPolarHBondContact O-CG 3.32Å; L120-K124 PolarHBondContact O-N 2.99Å
121K76.9Confident78Confident79 Ų7986.2 Ų86.234%0.34340%0.4SS..Hα-helixtrans-60.3-41.6174.9-76174.1-177.5170.50111.3E117 E118 R125E117-K121 HydrophobicContact CG-CD 4.48Å; E117-K121 WeakPolarHBondContact O-CB 3Å; E117-K121 VanDerWaalsContact O-CG 3.3Å; E117-K121 WeakPolarHBondContact O-CG 3.32Å; E117-K121 PolarHBondContact O-N 3.49Å; E117-K121 WeakPolarHBondContact OE1-CE 3.26Å; E117-K121 IonicContact OE1-NZ 3.27Å; E117-K121 PolarHBondContact OE1-NZ 3.24Å; E118-K121 PolarHBondContact O-N 3.37Å; K121-R125 WeakPolarHBondContact O-CB 3.37Å; K121-R125 PolarHBondContact O-N 3.01Å; K121-R125 VanDerWaalsContact O-N 3.15Å
122R73.5Confident77.8Confident72 Ų7282 Ų8227%0.27238%0.378SS..Hα-helixtrans-62.6-48.4175.9-174-171.166.979.32.5111.7E118 E119 L120 K124 R125 E126E118-R122 WeakPolarHBondContact O-CB 3.29Å; E118-R122 PolarHBondContact O-N 3Å; E119-R122 WeakPolarHBondContact O-CB 3.31Å; E119-R122 PolarHBondContact O-N 3.27Å; E119-R122 IonicContact OE1-NH2 2.64Å; L120-R122 VanDerWaalsContact C-N 3.31Å; L120-R122 PolarHBondContact O-N 3.46Å; R122-K124 PolarHBondContact O-N 2.97Å; R122-R125 WeakPolarHBondContact O-CB 3.48Å; R122-R125 PolarHBondContact O-N 3.36Å; R122-R125 VanDerWaalsContact O-N 3.09Å; R122-E126 IonicContact CZ-OE1 3.95Å; R122-E126 IonicContact CZ-OE2 3.12Å; R122-E126 IonicContact NH1-OE1 2.93Å; R122-E126 PolarHBondContact NH1-OE1 3.08Å; R122-E126 IonicContact NH1-OE2 3.23Å; R122-E126 PolarHBondContact NH1-OE2 3.04Å; R122-E126 PolarHBondContact O-N 2.88Å
123K79.2Confident77.5Confident118 Ų11885.4 Ų85.451%0.51339%0.39SS..Hα-helixtrans-61.2-46.4-179.5-171.9177.6176.9-178.60111.9E119 L120 R125 E126 E127E119-K123 PolarHBondContact O-N 3.11Å; L120-K123 PolarHBondContact O-N 2.7Å; K123-R125 PolarHBondContact O-N 3.18Å; K123-E126 PolarHBondContact O-N 3.26Å; K123-E127 VanDerWaalsContact CE-OE1 3.22Å; K123-E127 WeakPolarHBondContact CE-OE1 3.37Å; K123-E127 WeakPolarHBondContact O-CG 3.17Å; K123-E127 PolarHBondContact O-N 3.35Å
124K77.3Confident77Confident129 Ų12986.1 Ų86.156%0.56139%0.388SS*.Hα-helixtrans-56.9-35.7174-73.7-179.9177.6-177.90112.5L120 R122 R128L120-K124 WeakPolarHBondContact O-CG 3.32Å; L120-K124 PolarHBondContact O-N 2.99Å; R122-K124 PolarHBondContact O-N 2.97Å; K124-R128 WeakPolarHBondContact O-CB 3.48Å; K124-R128 PolarHBondContact O-N 3.17Å
125R72.7Confident76.7Confident70 Ų7085 Ų8526%0.26439%0.388SS..Hα-helixtrans-70.2-44.6177.6-176.7-179-63-171.2-5.4112.2K121 R122 K123 R128 M129 E206K121-R125 WeakPolarHBondContact O-CB 3.37Å; K121-R125 PolarHBondContact O-N 3.01Å; K121-R125 VanDerWaalsContact O-N 3.15Å; R122-R125 WeakPolarHBondContact O-CB 3.48Å; R122-R125 PolarHBondContact O-N 3.36Å; R122-R125 VanDerWaalsContact O-N 3.09Å; K123-R125 PolarHBondContact O-N 3.18Å; R125-R128 PolarHBondContact O-N 3.41Å; R125-M129 WeakPolarHBondContact O-CB 3.46Å; R125-M129 VanDerWaalsContact O-CG 3.3Å; R125-M129 WeakPolarHBondContact O-CG 3.35Å; R125-M129 PolarHBondContact O-N 3.19Å; R125-E206 PolarHBondContact NH1-O 3.04Å; R125-E206 PolarHBondContact NH2-O 3.35Å
126E75.8Confident76Confident85 Ų8584.4 Ų84.440%0.39739%0.385SS..Hα-helixtrans-61.3-46.4176.7-74.1174.617700111R65 R122 K123 R128 M129 E130R65-E126 IonicContact NH2-OE1 2.86Å; R122-E126 IonicContact CZ-OE1 3.95Å; R122-E126 IonicContact CZ-OE2 3.12Å; R122-E126 IonicContact NH1-OE1 2.93Å; R122-E126 PolarHBondContact NH1-OE1 3.08Å; R122-E126 IonicContact NH1-OE2 3.23Å; R122-E126 PolarHBondContact NH1-OE2 3.04Å; R122-E126 PolarHBondContact O-N 2.88Å; K123-E126 PolarHBondContact O-N 3.26Å; E126-R128 VanDerWaalsContact C-N 3.34Å; E126-R128 PolarHBondContact O-N 3.12Å; E126-M129 PolarHBondContact O-N 3.03Å; E126-E130 WeakPolarHBondContact O-CB 3.5Å; E126-E130 PolarHBondContact O-N 3.18Å
127E76.9Confident75.4Confident84 Ų8486.4 Ų86.439%0.39340%0.396SS..Hα-helixtrans-58.3-44.1174.6-71.2171.1-177.600111.6K123 E130 M131K123-E127 VanDerWaalsContact CE-OE1 3.22Å; K123-E127 WeakPolarHBondContact CE-OE1 3.37Å; K123-E127 WeakPolarHBondContact O-CG 3.17Å; K123-E127 PolarHBondContact O-N 3.35Å; E127-E130 PolarHBondContact O-N 3.38Å; E127-M131 WeakPolarHBondContact O-CG 3.4Å; E127-M131 PolarHBondContact O-N 3.5Å
128R77.6Confident74.8Confident100 Ų10087 Ų8738%0.37740%0.402SS..Hα-helixtrans-63.3-44.2176.5-171.2-177-172.4-177.75.7112.2K124 R125 E126 E130 M131 I132 E205K124-R128 WeakPolarHBondContact O-CB 3.48Å; K124-R128 PolarHBondContact O-N 3.17Å; R125-R128 PolarHBondContact O-N 3.41Å; E126-R128 VanDerWaalsContact C-N 3.34Å; E126-R128 PolarHBondContact O-N 3.12Å; R128-E130 VanDerWaalsContact C-N 3.3Å; R128-E130 PolarHBondContact O-N 3.41Å; R128-M131 PolarHBondContact O-N 3.37Å; R128-I132 HydrophobicContact CG-CD1 4.2Å; R128-I132 VanDerWaalsContact O-CG1 3.27Å; R128-I132 WeakPolarHBondContact O-CG1 3.42Å; R128-I132 PolarHBondContact O-N 3.43Å; R128-E205 IonicContact CZ-OE1 3.48Å; R128-E205 IonicContact NH1-OE1 2.67Å; R128-E205 PolarHBondContact NH1-OE1 2.87Å; R128-E205 IonicContact NH2-OE1 3.56Å
129M75.5Confident74.4Confident25 Ų2586.6 Ų86.612%0.12340%0.398CS..Hα-helixtrans-63.5-37.9178-73.6-62.9-5900111.6R125 E126 I132 R133 S238 L311R125-M129 WeakPolarHBondContact O-CB 3.46Å; R125-M129 VanDerWaalsContact O-CG 3.3Å; R125-M129 WeakPolarHBondContact O-CG 3.35Å; R125-M129 PolarHBondContact O-N 3.19Å; E126-M129 PolarHBondContact O-N 3.03Å; M129-I132 PolarHBondContact O-N 2.71Å; M129-I132 HydrophobicContact SD-CD1 4.46Å; M129-R133 WeakPolarHBondContact O-CG 3.32Å; M129-R133 PolarHBondContact O-N 2.81Å; M129-R133 VanDerWaalsContact O-N 3.11Å; M129-S238 WeakPolarHBondContact CE-OG 3.48Å; M129-L311 HydrophobicContact CE-CB 4.23Å; M129-L311 HydrophobicContact SD-CB 4.47Å
130E75.8Confident73.6Confident120 Ų12088.8 Ų88.856%0.56140%0.404SS*.Hα-helixtrans-67.8-43.1174.9-171.1168.5-158.100111.9E126 E127 R128 I132 R133 N134E126-E130 WeakPolarHBondContact O-CB 3.5Å; E126-E130 PolarHBondContact O-N 3.18Å; E127-E130 PolarHBondContact O-N 3.38Å; R128-E130 VanDerWaalsContact C-N 3.3Å; R128-E130 PolarHBondContact O-N 3.41Å; E130-I132 VanDerWaalsContact C-N 3.33Å; E130-I132 PolarHBondContact O-N 3.47Å; E130-R133 PolarHBondContact O-N 2.81Å; E130-N134 WeakPolarHBondContact O-CB 3.38Å; E130-N134 VanDerWaalsContact O-CG 3.32Å; E130-N134 PolarHBondContact O-N 3.34Å; E130-N134 PolarHBondContact O-ND2 2.99Å
131M77.9Confident72.6Confident118 Ų11886.5 Ų86.558%0.58140%0.4SS*.Hα-helixtrans-58.7-42.7172.7-73.5-176.9-156.600112.2E127 R128 R133 N134 N135E127-M131 WeakPolarHBondContact O-CG 3.4Å; E127-M131 PolarHBondContact O-N 3.5Å; R128-M131 PolarHBondContact O-N 3.37Å; M131-R133 PolarHBondContact O-N 3.06Å; M131-N134 PolarHBondContact O-N 3.47Å; M131-N135 VanDerWaalsContact O-CB 3.3Å; M131-N135 WeakPolarHBondContact O-CB 3.4Å; M131-N135 VanDerWaalsContact O-CG 3.3Å; M131-N135 PolarHBondContact O-N 3.04Å; M131-N135 PolarHBondContact O-ND2 2.99Å
132I75.9Confident71.7Confident14 Ų1486.4 Ų86.47%0.07241%0.409CS..Hα-helixtrans-59.7-46.8176.9-72.1167.3000110.5R128 M129 E130 N135 L136 D308R128-I132 HydrophobicContact CG-CD1 4.2Å; R128-I132 VanDerWaalsContact O-CG1 3.27Å; R128-I132 WeakPolarHBondContact O-CG1 3.42Å; R128-I132 PolarHBondContact O-N 3.43Å; M129-I132 PolarHBondContact O-N 2.71Å; M129-I132 HydrophobicContact SD-CD1 4.46Å; E130-I132 VanDerWaalsContact C-N 3.33Å; E130-I132 PolarHBondContact O-N 3.47Å; I132-N135 PolarHBondContact O-N 3.01Å; I132-L136 HydrophobicContact CG2-CD1 4.01Å; I132-L136 WeakPolarHBondContact O-CB 3.36Å; I132-L136 WeakPolarHBondContact O-CG 3.35Å; I132-L136 PolarHBondContact O-N 3.32Å; I132-D308 HydrophobicContact CD1-CB 4.07Å; I132-D308 HydrophobicContact CG1-CB 4.13Å; I132-D308 HydrophobicContact CG2-CB 4.19Å; I132-D308 WeakPolarHBondContact CG2-O 3.19Å
133R74.3Confident71Confident80 Ų8087.3 Ų87.330%0.30242%0.415SS..Hα-helixtrans-63.8-43177.8-71.7176.3-172160.73.5112.3M129 E130 M131 L136 H137 T236M129-R133 WeakPolarHBondContact O-CG 3.32Å; M129-R133 PolarHBondContact O-N 2.81Å; M129-R133 VanDerWaalsContact O-N 3.11Å; E130-R133 PolarHBondContact O-N 2.81Å; M131-R133 PolarHBondContact O-N 3.06Å; R133-L136 PolarHBondContact O-N 2.98Å; R133-H137 PolarHBondContact O-N 3.19Å; R133-T236 PolarHBondContact NH2-O 3Å
134N71.8Confident69.7Low89 Ų8991.5 Ų91.548%0.47643%0.427SS..Hα-helixtrans-65.1-43.9178.2-72.7-17.8000111.7E130 M131 L136 H137 L138E130-N134 WeakPolarHBondContact O-CB 3.38Å; E130-N134 VanDerWaalsContact O-CG 3.32Å; E130-N134 PolarHBondContact O-N 3.34Å; E130-N134 PolarHBondContact O-ND2 2.99Å; M131-N134 PolarHBondContact O-N 3.47Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.49Å; N134-H137 PolarHBondContact O-N 2.91Å; N134-L138 WeakPolarHBondContact O-CG 3.14Å; N134-L138 PolarHBondContact O-N 2.89Å
135N74.8Confident68.2Low107 Ų10792.6 Ų92.657%0.57243%0.432SS*.Hα-helixtrans-61.6-40.1175.4-78.6-19.7000112M131 I132 L138 K139M131-N135 VanDerWaalsContact O-CB 3.3Å; M131-N135 WeakPolarHBondContact O-CB 3.4Å; M131-N135 VanDerWaalsContact O-CG 3.3Å; M131-N135 PolarHBondContact O-N 3.04Å; M131-N135 PolarHBondContact O-ND2 2.99Å; I132-N135 PolarHBondContact O-N 3.01Å; N135-L138 PolarHBondContact O-N 2.83Å; N135-K139 VanDerWaalsContact O-CB 3.31Å; N135-K139 WeakPolarHBondContact O-CB 3.47Å; N135-K139 PolarHBondContact O-N 2.99Å
136L65.3Low67.1Low13 Ų1391.2 Ų91.27%0.06843%0.433CS..Hα-helixtrans-63.9-45.1173.7-78.6165.8000112I132 R133 N134 L138 K139 Y140 E309 G312 T313I132-L136 HydrophobicContact CG2-CD1 4.01Å; I132-L136 WeakPolarHBondContact O-CB 3.36Å; I132-L136 WeakPolarHBondContact O-CG 3.35Å; I132-L136 PolarHBondContact O-N 3.32Å; R133-L136 PolarHBondContact O-N 2.98Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.49Å; L136-L138 VanDerWaalsContact C-N 3.32Å; L136-L138 PolarHBondContact O-N 3.07Å; L136-K139 PolarHBondContact O-N 2.96Å; L136-K139 VanDerWaalsContact O-N 3.15Å; L136-Y140 HydrophobicContact CD2-CE2 4.22Å; L136-Y140 WeakPolarHBondContact O-CD2 3.44Å; L136-Y140 PolarHBondContact O-N 3.12Å; L136-E309 HydrophobicContact CD2-CB 4.24Å; L136-E309 HydrophobicContact CD2-CG 3.88Å; L136-G312 VanDerWaalsContact CD1-CA 3.5Å; L136-T313 HydrophobicContact CD1-CG2 4.36Å
137H67.7Low65.5Low142 Ų14291.2 Ų91.266%0.65744%0.442SS*.Hα-helixtrans-60.2-43.2177.5-170.2-95.4000111.5R133 N134 Y140 A141R133-H137 PolarHBondContact O-N 3.19Å; N134-H137 PolarHBondContact O-N 2.91Å; H137-Y140 PolarHBondContact O-N 3.48Å; H137-A141 VanDerWaalsContact O-CB 3.29Å; H137-A141 WeakPolarHBondContact O-CB 3.44Å; H137-A141 PolarHBondContact O-N 2.82Å
138L67.3Low63.9Low112 Ų11295.2 Ų95.259%0.58646%0.46SS*.Hα-helixtrans-62.5-41.9173.5-70.4169.3000112.1N134 N135 L136 A141 S142N134-L138 WeakPolarHBondContact O-CG 3.14Å; N134-L138 PolarHBondContact O-N 2.89Å; N135-L138 PolarHBondContact O-N 2.83Å; L136-L138 VanDerWaalsContact C-N 3.32Å; L136-L138 PolarHBondContact O-N 3.07Å; L138-A141 PolarHBondContact O-N 3.24Å; L138-S142 VanDerWaalsContact O-CB 3.3Å; L138-S142 WeakPolarHBondContact O-CB 3.29Å; L138-S142 PolarHBondContact O-N 3.09Å
139K68.3Low62.1Low101 Ų10197.5 Ų97.544%0.43948%0.476SS..Hα-helixtrans-64.5-44.2177.5-172.2178.4179.2-179.20112N135 L136 S142 K143 E309N135-K139 VanDerWaalsContact O-CB 3.31Å; N135-K139 WeakPolarHBondContact O-CB 3.47Å; N135-K139 PolarHBondContact O-N 2.99Å; L136-K139 PolarHBondContact O-N 2.96Å; L136-K139 VanDerWaalsContact O-N 3.15Å; K139-S142 PolarHBondContact O-N 3.4Å; K139-K143 VanDerWaalsContact O-CB 3.3Å; K139-K143 WeakPolarHBondContact O-CB 3.25Å; K139-K143 PolarHBondContact O-N 3.08Å; K139-E309 IonicContact NZ-OE1 3.22Å; K139-E309 PolarHBondContact NZ-OE1 3.03Å; K139-E309 IonicContact NZ-OE2 2.79Å
140Y62.2Low60.6Low109 Ų109100.8 Ų100.843%0.42749%0.494SS..Hα-helixtrans-69.3-36.1176.4-77.7-67.2000112.6L136 H137 K143 R144 T313L136-Y140 HydrophobicContact CD2-CE2 4.22Å; L136-Y140 WeakPolarHBondContact O-CD2 3.44Å; L136-Y140 PolarHBondContact O-N 3.12Å; H137-Y140 PolarHBondContact O-N 3.48Å; Y140-K143 PolarHBondContact O-N 3.26Å; Y140-R144 WeakPolarHBondContact O-CB 3.5Å; Y140-R144 WeakPolarHBondContact O-CG 3.3Å; Y140-R144 PolarHBondContact O-N 3.23Å; Y140-T313 HydrophobicContact CE2-CG2 4.13Å
141A57.7Low59.1Low49 Ų49104 Ų10441%0.40551%0.508SS..Hα-helixtrans-64.8-39.8172.900000111.9H137 L138 K145H137-A141 VanDerWaalsContact O-CB 3.29Å; H137-A141 WeakPolarHBondContact O-CB 3.44Å; H137-A141 PolarHBondContact O-N 2.82Å; L138-A141 PolarHBondContact O-N 3.24Å; A141-K145 PolarHBondContact O-N 3.14Å
142S59.1Low57.2Low78 Ų78102.7 Ų102.755%0.54552%0.516SS..Hα-helixtrans-69.2-42.7174.9-172.30000112.3L138 K139 R144 K145 S146L138-S142 VanDerWaalsContact O-CB 3.3Å; L138-S142 WeakPolarHBondContact O-CB 3.29Å; L138-S142 PolarHBondContact O-N 3.09Å; K139-S142 PolarHBondContact O-N 3.4Å; S142-R144 VanDerWaalsContact C-N 3.34Å; S142-R144 PolarHBondContact O-N 3.33Å; S142-K145 CarbonylContact O-C 3.59Å; S142-K145 WeakPolarHBondContact O-CB 3.37Å; S142-K145 PolarHBondContact O-N 3.45Å; S142-K145 VanDerWaalsContact O-N 3.1Å; S142-S146 PolarHBondContact O-N 3.29Å
143K57.5Low55.5Low91 Ų91110 Ų11040%0.39655%0.548SS..Hα-helixtrans-67.2-30.9177-163.9173.5-176.6179.80112.6K139 Y140 C147 E326K139-K143 VanDerWaalsContact O-CB 3.3Å; K139-K143 WeakPolarHBondContact O-CB 3.25Å; K139-K143 PolarHBondContact O-N 3.08Å; Y140-K143 PolarHBondContact O-N 3.26Å; K143-C147 WeakPolarHBondContact O-CB 3.15Å; K143-C147 PolarHBondContact O-N 3.29Å; K143-E326 IonicContact NZ-OE2 3.83Å; K143-E326 PolarHBondContact NZ-OE2 3.07Å
144R52.7Low53.8Low205 Ų205115.6 Ų115.677%0.77458%0.575SS**Hα-helixtrans-65.6-37169.6-82.2-177.8177.5175.10.5112.1Y140 S142Y140-R144 WeakPolarHBondContact O-CB 3.5Å; Y140-R144 WeakPolarHBondContact O-CG 3.3Å; Y140-R144 PolarHBondContact O-N 3.23Å; S142-R144 VanDerWaalsContact C-N 3.34Å; S142-R144 PolarHBondContact O-N 3.33Å
145K46.3Very low52.2Low153 Ų153119.3 Ų119.367%0.66559%0.593SS**Hα-helixtrans-71.9-41173.4-78.8-176.1172.3-174.90112.7A141 S142 E148A141-K145 PolarHBondContact O-N 3.14Å; S142-K145 CarbonylContact O-C 3.59Å; S142-K145 WeakPolarHBondContact O-CB 3.37Å; S142-K145 PolarHBondContact O-N 3.45Å; S142-K145 VanDerWaalsContact O-N 3.1Å; K145-E148 PolarHBondContact O-N 3.49Å
146S47.9Very low50.5Low40 Ų40121.4 Ų121.428%0.2860%0.604SS.*Hα-helixtrans-74.3-26.7177.6110.50000113.1S142 E148 E149 D150S142-S146 PolarHBondContact O-N 3.29Å; S146-E148 PolarHBondContact O-N 3.45Å; S146-E149 CarbonylContact O-C 3.52Å; S146-E149 PolarHBondContact O-N 2.87Å; S146-D150 VanDerWaalsContact O-CB 3.25Å; S146-D150 WeakPolarHBondContact O-CB 3.37Å; S146-D150 VanDerWaalsContact O-CG 3.29Å; S146-D150 PolarHBondContact O-N 2.88Å; S146-D150 PolarHBondContact OG-OD2 3.41Å
147C43.2Very low49Very low85 Ų85130 Ų13057%0.57464%0.644SS**Hα-helixtrans-62.9-26.1170.2-96.30000113.4K143 E149K143-C147 WeakPolarHBondContact O-CB 3.15Å; K143-C147 PolarHBondContact O-N 3.29Å; C147-E149 VanDerWaalsContact C-N 3.32Å
148E42.3Very low47.2Very low168 Ų168131.8 Ų131.879%0.78566%0.657SS**Hα-helixtrans-77-19.5171.7-71.3178.2163.400112.1K145 S146K145-E148 PolarHBondContact O-N 3.49Å; S146-E148 PolarHBondContact O-N 3.45Å
149E40Very low45.3Very low149 Ų149131.8 Ų131.870%0.69667%0.667SS**Hα-helixtrans-101-26.8-179.4-67.2179.1160.500113.1S146 C147 A152S146-E149 CarbonylContact O-C 3.52Å; S146-E149 PolarHBondContact O-N 2.87Å; C147-E149 VanDerWaalsContact C-N 3.32Å; E149-A152 PolarHBondContact O-N 3.41Å
150D44.3Very low43.4Very low94 Ų94135.5 Ų135.550%0.50368%0.683SS.*G310 helixtrans-83.4-8.3-173.2-79.3-40.4000114.6S146 A152S146-D150 VanDerWaalsContact O-CB 3.25Å; S146-D150 WeakPolarHBondContact O-CB 3.37Å; S146-D150 VanDerWaalsContact O-CG 3.29Å; S146-D150 PolarHBondContact O-N 2.88Å; S146-D150 PolarHBondContact OG-OD2 3.41Å; D150-A152 PolarHBondContact O-N 3.19Å
151E43.5Very low41.7Very low186 Ų186139.9 Ų139.987%0.86971%0.707SS**G310 helixtrans-67.5-17.1167.5-100.1-168.7165.100112.4
152A38.5Very low40.2Very low91 Ų91145 Ų14575%0.75272%0.723SS**G310 helixtrans-91-13.9-178.500000115E149 D150E149-A152 PolarHBondContact O-N 3.41Å; D150-A152 PolarHBondContact O-N 3.19Å
153F40Very low38.5Very low169 Ų169149.8 Ų149.874%0.74174%0.737SS**THydrogen-bonded Turntrans-111-3.6-170.1-150.8-100.3000115L155F153-L155 VanDerWaalsContact C-N 3.32Å; F153-L155 PolarHBondContact O-N 3.39Å
154K39.2Very low36.9Very low197 Ų197152.5 Ų152.586%0.85776%0.761SS**THydrogen-bonded Turntrans-93.335.7-174.1-145.9173.7-172.8174.30114.5
155L39.3Very low35.7Very low166 Ų166146.4 Ų146.487%0.86976%0.761SS**THydrogen-bonded Turntrans-124.45.7176.7-105.2162.4000114.5F153F153-L155 VanDerWaalsContact C-N 3.32Å; F153-L155 PolarHBondContact O-N 3.39Å
156L38.4Very low35Very low151 Ų151146 Ų14679%0.79177%0.772SS**SBendtrans-142.774.4-177.6-80.3164.8000112.6
157Q33.5Very low34.2Very low193 Ų193150 Ų15090%0.90280%0.797SS**  trans171.194.8140.9-100.1169-12.800111.4
158L29.9Very low33.4Very low181 Ų181149.6 Ų149.695%0.94881%0.807SS**  trans-13094.7156.9-80168.7000107.3
159S28.3Very low32.8Very low112 Ų112149 Ų14978%0.78381%0.809SS**  trans-179.3103.3154.1177.50000110.5
160K28.4Very low32.5Very low178 Ų178151 Ų15177%0.77482%0.819SS**  162.3125.8123.8-113.6178.3168.9177.80109.4
161E26.1Very low32.4Very low201 Ų201154 Ų15494%0.93983%0.829SS**  trans-166.9129.3130.9-105166.2-159.100110.1
162E24.9Very low32.1Very low157 Ų157148.3 Ų148.373%0.73481%0.805SS**  trans-94.7145.1-177-79.4175.2133.200112
163Q24.5Very low32.5Very low179 Ų179152 Ų15284%0.83681%0.807SS**  trans51.7114.4141.1-62.9-178.916.600120.6
164T24.4Very low33Very low148 Ų148148.4 Ų148.491%0.90879%0.792SS**PPolyproline II helixtrans-98.5124.3164.551.10000111.2
165G26.2Very low33.7Very low76 Ų76139.9 Ų139.978%0.78476%0.756SS**PPolyproline II helixtrans-87.5154.5168.700000113.2
166T33Very low34.2Very low144 Ų144133.4 Ų133.488%0.88372%0.724SS**PPolyproline II helixtrans-75.9146.2-177.637.90000113.6
167P30.2Very low34.6Very low126 Ų126126.7 Ų126.782%0.81869%0.688SS**  trans-113140.1167.431.3-17.9000113.3
168G27Very low35.5Very low75 Ų75120.7 Ų120.777%0.77367%0.672SS**  trans-113140.3167.800000112.2
169D29.2Very low36.3Very low157 Ų157117.6 Ų117.684%0.8465%0.653SS**  trans18.3120.2160.4-61.8-18.1000122.8
170Q34.4Very low36.8Very low191 Ų191113.3 Ų113.389%0.89362%0.62SS**  170.4106.1115-91.3171.320.800111.7
171E40.8Very low37.3Very low155 Ų155111.5 Ų111.572%0.72461%0.614SS**  trans-14764.8176.4-70.8-173.2160.500113.7E173 K493E171-E173 PolarHBondContact O-N 3.35Å; E171-K493 PolarHBondContact O-NZ 3.37Å
172D38.2Very low37.8Very low67 Ų67104.7 Ų104.736%0.35859%0.588SS.*  trans-88.214-174.3-93.619.4000115.8R408 R412 K493 Y494D172-R408 IonicContact OD2-NH2 2.67Å; D172-R412 PolarHBondContact O-NH1 2.71Å; D172-R412 PolarHBondContact O-NH2 3.06Å; D172-K493 WeakPolarHBondContact OD1-CE 3.16Å; D172-K493 IonicContact OD1-NZ 3.84Å; D172-K493 PolarHBondContact OD1-NZ 2.99Å; D172-Y494 PolarHBondContact OD1-OH 3.28Å; D172-Y494 PolarHBondContact OD2-OH 3.47Å
173E47.2Very low38.6Very low169 Ų169103.6 Ų103.679%0.7958%0.583SS**SBendtrans-98.2-27.3-173.4-68.6-166158.600115.9E171 L175E171-E173 PolarHBondContact O-N 3.35Å; E173-L175 PolarHBondContact O-N 3.16Å
174E49.5Very low39.2Very low93 Ų93101.6 Ų101.644%0.43558%0.578SS.*THydrogen-bonded Turntrans-80.6-13.6-173.8-158.7179.7165.500114.5V176E174-V176 PolarHBondContact O-N 3.2Å
175L54Low39.9Very low18 Ų18103.5 Ų103.59%0.09458%0.577CS.*THydrogen-bonded Turntrans-85.4-1.4-173.5-71.1170.2000114.7E173 Y405 Y409 K486 F490 K493 Y494E173-L175 PolarHBondContact O-N 3.16Å; L175-Y405 WeakPolarHBondContact O-CE2 3.46Å; L175-Y405 PolarHBondContact O-OH 2.75Å; L175-Y409 HydrophobicContact CB-CE2 4.33Å; L175-Y409 WeakPolarHBondContact CB-OH 3.29Å; L175-Y409 WeakPolarHBondContact CD1-OH 3.35Å; L175-K486 WeakPolarHBondContact CD2-O 3.31Å; L175-F490 HydrophobicContact CD1-CB 4.44Å; L175-F490 HydrophobicContact CD1-CD2 4.45Å; L175-F490 HydrophobicContact CD2-CB 4.25Å; L175-K493 HydrophobicContact CD1-CD 3.85Å; L175-Y494 HydrophobicContact CD1-CE2 4.01Å
176V50.6Low40Very low31 Ų31104.9 Ų104.919%0.18858%0.575CS.*SBendtrans-84.7136.1-178.8-175.80000111.5E174 A178 Y409 R412 K486E174-V176 PolarHBondContact O-N 3.2Å; V176-A178 PolarHBondContact O-N 2.9Å; V176-Y409 HydrophobicContact CG2-CD1 3.98Å; V176-Y409 HydrophobicContact CG2-CE1 4.14Å; V176-R412 VanDerWaalsContact CG2-NH2 3.31Å; V176-K486 PolarHBondContact O-NZ 3.29Å
177V46.6Very low39.8Very low9 Ų9108 Ų1086%0.05558%0.576CS.*PPolyproline II helixtrans-63.7125.9175.6-1670000110.1Y405 L413 I483 K486V177-Y405 HydrophobicContact CG2-CE1 4.05Å; V177-Y405 WeakPolarHBondContact CG2-OH 3.27Å; V177-Y405 PolarHBondContact N-OH 3.12Å; V177-L413 HydrophobicContact CB-CD2 4.04Å; V177-L413 HydrophobicContact CG2-CD2 3.87Å; V177-I483 HydrophobicContact CG2-CD1 3.73Å; V177-K486 VanDerWaalsContact CA-NZ 3.34Å; V177-K486 HydrophobicContact CG2-CD 4.36Å
178A53Low39.9Very low67 Ų67107.4 Ų107.455%0.55458%0.575SS**PPolyproline II helixtrans-68.4166.1174.600000110.1V176 Y180 N417 K486V176-A178 PolarHBondContact O-N 2.9Å; A178-Y180 PolarHBondContact O-N 2.98Å; A178-N417 PolarHBondContact O-ND2 2.93Å; A178-N417 VanDerWaalsContact O-ND2 3.13Å; A178-K486 VanDerWaalsContact N-NZ 3.18Å
179E46.9Very low39.8Very low117 Ų117113.3 Ų113.355%0.54758%0.579SS.*PPolyproline II helixtrans-63.7129.9-174.5-174.5156.6-146.500112.6E181 K414E179-E181 HydrophobicContact CG-CG 4.07Å; E179-K414 HydrophobicContact CG-CD 4.34Å; E179-K414 IonicContact OE1-NZ 2.83Å; E179-K414 PolarHBondContact OE1-NZ 3.23Å; E179-K414 IonicContact OE2-NZ 2.81Å; E179-K414 PolarHBondContact OE2-NZ 3.42Å
180Y38.2Very low39.6Very low22 Ų22111.8 Ų111.89%0.08658%0.581CS.*  trans-101.3105.8172-179.8-95.6000109.3A178 N417 Y420 Y477 K480A178-Y180 PolarHBondContact O-N 2.98Å; Y180-N417 WeakPolarHBondContact CB-OD1 3.35Å; Y180-Y420 HydrophobicContact CD1-CD2 4.23Å; Y180-Y420 AromaticContact CD1-CE2 3.55Å; Y180-Y420 HydrophobicContact CD1-CE2 3.55Å; Y180-Y420 HydrophobicContact CE1-CD2 4.45Å; Y180-Y420 AromaticContact CE1-CE2 3.49Å; Y180-Y420 HydrophobicContact CE1-CE2 3.49Å; Y180-Y420 VanDerWaalsContact CE1-CE2 3.49Å; Y180-Y420 AromaticContact CE1-CZ 3.79Å; Y180-Y477 HydrophobicContact CD1-CD2 4.28Å; Y180-Y477 AromaticContact CD2-CD2 3.83Å; Y180-Y477 HydrophobicContact CD2-CD2 3.83Å; Y180-Y477 HydrophobicContact CE2-CD2 4.24Å; Y180-Y477 AromaticContact CG-CD2 3.84Å; Y180-Y477 HydrophobicContact CG-CD2 3.84Å; Y180-Y477 HydrophobicContact CG-CE2 4.33Å; Y180-K480 HydrophobicContact CD2-CB 4.06Å; Y180-K480 HydrophobicContact CD2-CD 4.17Å; Y180-K480 HydrophobicContact CE2-CB 4.18Å; Y180-K480 HydrophobicContact CE2-CD 3.84Å; Y180-K480 HydrophobicContact CE2-CG 4.41Å
181E38.8Very low39.3Very low139 Ų139113.8 Ų113.865%0.6558%0.58SS**  trans-91.8132.1172.5-61.8-174160.900110.2E179E179-E181 HydrophobicContact CG-CG 4.07Å
182S36.8Very low38.5Very low58 Ų58115 Ų11541%0.40658%0.584SS.*  trans-89.9127.1-179.1-175.20000109.2D184S182-D184 PolarHBondContact O-N 3.11Å
183E41.3Very low38.3Very low135 Ų135121.4 Ų121.463%0.63161%0.609SS**THydrogen-bonded Turntrans-75.124.9-172.3-74.3170.4-166.400115.9K480E183-K480 IonicContact OE1-NZ 3.91Å; E183-K480 PolarHBondContact OE1-NZ 3.47Å
184D37.3Very low37.2Very low136 Ų136117 Ų11773%0.72761%0.608SS**THydrogen-bonded Turntrans-92.50.8179.7-86.6-32.6000114.5S182S182-D184 PolarHBondContact O-N 3.11Å
185E38.9Very low36.2Very low188 Ų188116.2 Ų116.288%0.87963%0.625SS**SBendtrans-144.783.2165.2-72.6-159.1165.200111.6
186S29.2Very low35Very low106 Ų106124.5 Ų124.574%0.74166%0.663SS**  trans-169.2123.5145.842.60000111.1
187K28.7Very low34Very low208 Ų208129.7 Ų129.790%0.90469%0.69SS**  trans-63.5133.8162.3-75.6176.5174.5175.30108.9
188S31.5Very low33.4Very low115 Ų115138.6 Ų138.680%0.80473%0.731SS**  trans38.1103.2154-58.20000118.7
189K25.5Very low32.3Very low199 Ų199143 Ų14387%0.86575%0.745SS**  -167.8106.2129.8-104.8172-174.5-175.10109.1R191K189-R191 PolarHBondContact O-N 3.13Å; K189-R191 VanDerWaalsContact O-N 3.15Å
190S24.4Very low31.6Very low125 Ų125144.2 Ų144.287%0.87476%0.756SS**  trans-64.5108.3169.455.60000109.3
191R27.5Very low31.4Very low233 Ų233152.6 Ų152.688%0.87980%0.796SS**  trans-100.791.8164.6-85.4-178.2175.4160.9-2.9108.7K189K189-R191 PolarHBondContact O-N 3.13Å; K189-R191 VanDerWaalsContact O-N 3.15Å
192F25.3Very low31.6Very low181 Ų181153.3 Ų153.379%0.79480%0.799SS**SBendtrans-144.8120.9159.6-127.1-94.3000108.1
193F32.3Very low31.9Very low201 Ų201157.2 Ų157.288%0.88281%0.814SS**SBendtrans60.9111.6-173.2-68.3-81.9000116.8
194G24.5Very low32.2Very low76 Ų76157.1 Ų157.178%0.78482%0.823SS**  trans163.275175.500000109.3
195G28.1Very low33.1Very low76 Ų76152.6 Ų152.678%0.78480%0.797SS**  trans-78.6121.2155.200000106.1D197G195-D197 PolarHBondContact O-N 3.36Å; G195-D197 VanDerWaalsContact O-N 3.11Å
196E29.9Very low34.1Very low192 Ų192148.4 Ų148.490%0.89778%0.778SS**  trans-73.393.6169.7-71.9169.9171.900107.6
197D29.1Very low35.9Very low140 Ų140146.5 Ų146.575%0.74976%0.757SS**  trans-120.3109.8146.2-76.3-43.3000104.6G195 D199G195-D197 PolarHBondContact O-N 3.36Å; G195-D197 VanDerWaalsContact O-N 3.11Å; D197-D199 PolarHBondContact O-N 3.3Å
198E33.4Very low38.4Very low196 Ų196138 Ų13892%0.91672%0.723SS**THydrogen-bonded Turntrans-69.215.6-170.2-86-176.4150.400115.5
199D30.1Very low41Very low159 Ų159134.1 Ų134.185%0.8569%0.694SS**THydrogen-bonded Turntrans-126.2-0.9-178.6-79.4-40000115.7D197D197-D199 PolarHBondContact O-N 3.3Å
200D32.7Very low44.2Very low144 Ų144124.7 Ų124.777%0.7765%0.653SS**  trans-114.374.3174.3-85.5-28.1000110.9E202D200-E202 PolarHBondContact O-N 3.39Å
201E35Very low47.5Very low198 Ų198118.8 Ų118.893%0.92561%0.612SS**  trans-64.775.9153.2-78.3-170.8165.400108.3L203E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 2.85Å
202E43Very low50.8Low154 Ų154107.7 Ų107.772%0.7257%0.57SS**  trans-60.597.1168.7-165.6176.7-151.400106.3D200 V204D200-E202 PolarHBondContact O-N 3.39Å; E202-V204 PolarHBondContact O-N 2.86Å
203L42.3Very low54.1Low139 Ų13999.3 Ų99.373%0.72853%0.533SS*.  trans-36.3100.9172.6-77.8158.1000108.6E201 E205E201-L203 VanDerWaalsContact C-N 3.29Å; E201-L203 PolarHBondContact O-N 2.85Å; L203-E205 PolarHBondContact O-N 3.47Å
204V48.1Very low57.1Low134 Ų13489.7 Ų89.781%0.81249%0.491SS*.  trans-61.997.1174.8177.90000105.3E202 E206E202-V204 PolarHBondContact O-N 2.86Å; V204-E206 PolarHBondContact O-N 3.3Å
205E56.3Low60.2Low40 Ų4086.1 Ų86.119%0.18745%0.454CS..  trans-63.6102.4-173.9-78.9-179.6-174.400108R128 L203 H207 R307 P340 P341R128-E205 IonicContact CZ-OE1 3.48Å; R128-E205 IonicContact NH1-OE1 2.67Å; R128-E205 PolarHBondContact NH1-OE1 2.87Å; R128-E205 IonicContact NH2-OE1 3.56Å; L203-E205 PolarHBondContact O-N 3.47Å; E205-H207 PolarHBondContact O-N 3.15Å; E205-R307 IonicContact OE1-NH1 2.64Å; E205-R307 PolarHBondContact OE1-NH1 2.91Å; E205-R307 IonicContact OE2-NH1 3.24Å; E205-P340 HydrophobicContact CB-CB 4.33Å; E205-P340 WeakPolarHBondContact O-CB 3.48Å; E205-P341 WeakPolarHBondContact OE2-CG 3.16Å
206E58.8Low62.8Low100 Ų10085.9 Ų85.947%0.46743%0.429SS..PPolyproline II helixtrans-61137.3-177.2-75.5178176.700111.2R125 V204 V208R125-E206 PolarHBondContact NH1-O 3.04Å; R125-E206 PolarHBondContact NH2-O 3.35Å; V204-E206 PolarHBondContact O-N 3.3Å; E206-V208 PolarHBondContact O-N 3.5Å
207H68.3Low65.3Low66 Ų6679.2 Ų79.231%0.30640%0.402SS..PPolyproline II helixtrans-64.1118-177.9-75.855.5000110.8E205 K210E205-H207 PolarHBondContact O-N 3.15Å; H207-K210 VanDerWaalsContact CA-NZ 3.3Å
208V81Confident67.6Low30 Ų3075.9 Ų75.918%0.18238%0.382CS..PPolyproline II helixtrans-64.4169.7166.2-62.60000112E206 K210 A342 Q368E206-V208 PolarHBondContact O-N 3.5Å; V208-K210 HydrophobicContact CG2-CD 4.44Å; V208-K210 HydrophobicContact CG2-CG 3.83Å; V208-K210 WeakPolarHBondContact O-CG 3.49Å; V208-K210 PolarHBondContact O-NZ 3.21Å; V208-A342 WeakPolarHBondContact CG2-O 3.44Å; V208-Q368 PolarHBondContact O-NE2 3.14Å; V208-Q368 VanDerWaalsContact O-NE2 3.13Å
209T86.2Confident69.8Low34 Ų3470.8 Ų70.821%0.20937%0.367CS..PPolyproline II helixtrans-66.2130.4164.3-55.50000108.8W56 L57 Y60W56-T209 HydrophobicContact CH2-CG2 4.43Å; L57-T209 HydrophobicContact CD1-CG2 3.87Å; Y60-T209 HydrophobicContact CD1-CG2 4.01Å; Y60-T209 HydrophobicContact CE1-CG2 3.9Å
210K91.1Very high72.4Confident0 Ų065.5 Ų65.50%034%0.338CS..  trans-134.7154.5-172.2-54.8-175.5-179.358.90111.8H207 V208 V339 P340 A342 Q343 V345 Q368 V369H207-K210 VanDerWaalsContact CA-NZ 3.3Å; V208-K210 HydrophobicContact CG2-CD 4.44Å; V208-K210 HydrophobicContact CG2-CG 3.83Å; V208-K210 WeakPolarHBondContact O-CG 3.49Å; V208-K210 PolarHBondContact O-NZ 3.21Å; K210-V339 WeakPolarHBondContact CE-O 3.25Å; K210-P340 WeakPolarHBondContact CE-O 3.47Å; K210-P340 PolarHBondContact NZ-O 3.14Å; K210-A342 WeakPolarHBondContact CD-O 3.49Å; K210-A342 WeakPolarHBondContact CE-O 3.35Å; K210-A342 WeakPolarHBondContact CG-O 3.29Å; K210-Q343 VanDerWaalsContact CA-O 3.27Å; K210-Q343 WeakPolarHBondContact CA-O 3.4Å; K210-V345 HydrophobicContact CD-CG2 4.28Å; K210-Q368 PolarHBondContact O-OE1 2.98Å; K210-V369 PolarHBondContact O-N 2.83Å
211I94.9Very high75.1Confident2 Ų258.7 Ų58.71%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-106.9122.3165.7-62.3163.7000108.2A53 L54 L57 Q343 L344 V345 V369 I371A53-I211 HydrophobicContact CB-CD1 3.84Å; A53-I211 WeakPolarHBondContact O-CD1 3.34Å; L54-I211 HydrophobicContact CD2-CD1 4.22Å; L57-I211 HydrophobicContact CB-CD1 3.89Å; L57-I211 HydrophobicContact CD2-CD1 4.11Å; L57-I211 HydrophobicContact CD2-CG1 4.5Å; L57-I211 HydrophobicContact CG-CD1 4.49Å; I211-Q343 PolarHBondContact N-O 3.38Å; I211-L344 HydrophobicContact CB-CD1 4.09Å; I211-L344 HydrophobicContact CG2-CD1 4.03Å; I211-L344 WeakPolarHBondContact O-CA 2.98Å; I211-L344 WeakPolarHBondContact O-CD1 3.12Å; I211-V345 PolarHBondContact O-N 3.19Å; I211-V369 HydrophobicContact CG1-CB 4.27Å; I211-V369 HydrophobicContact CG1-CG1 4.41Å; I211-I371 HydrophobicContact CG2-CD1 3.69Å; I211-I371 HydrophobicContact CG2-CG1 4.02Å
212Y95.5Very high77.6Confident0 Ų050.7 Ų50.70%027%0.269CS..EExtended strand (participates in β ladder)trans-91.9108.8168.4-67.1-72.5000109.1V345 L347 V363 Q364 L365 Q368 V369 V370 I371Y212-V345 CarbonylContact C-O 3.58Å; Y212-V345 WeakPolarHBondContact CA-O 3.46Å; Y212-V345 HydrophobicContact CD1-CB 3.68Å; Y212-V345 HydrophobicContact CD1-CG1 4.07Å; Y212-V345 HydrophobicContact CD1-CG2 4.3Å; Y212-V345 HydrophobicContact CE1-CB 3.81Å; Y212-V345 HydrophobicContact CE1-CG1 4.12Å; Y212-V345 HydrophobicContact CE1-CG2 3.96Å; Y212-L347 HydrophobicContact CD1-CD2 3.79Å; Y212-V363 HydrophobicContact CD1-CG1 4.08Å; Y212-V363 HydrophobicContact CE1-CB 4.33Å; Y212-V363 HydrophobicContact CE1-CG1 3.66Å; Y212-V363 HydrophobicContact CE1-CG2 4.12Å; Y212-V363 HydrophobicContact CE2-CG1 4.29Å; Y212-Q364 WeakPolarHBondContact CE2-O 3.47Å; Y212-Q364 PolarHBondContact OH-N 2.64Å; Y212-Q364 PolarHBondContact OH-O 2.87Å; Y212-L365 HydrophobicContact CD2-CD2 4.27Å; Y212-L365 HydrophobicContact CE2-CD2 4.37Å; Y212-Q368 HydrophobicContact CD2-CB 4.13Å; Y212-Q368 HydrophobicContact CE2-CB 3.81Å; Y212-Q368 HydrophobicContact CE2-CG 4.01Å; Y212-V369 PolarHBondContact N-O 2.77Å; Y212-V370 HydrophobicContact CD2-CG2 4.25Å; Y212-I371 PolarHBondContact O-N 3.05Å
213Y95.8Very high79.7Confident4 Ų449 Ų492%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-94.7126.6174.1-172.3-88.1000110.5L49 L221 F224 V345 V346 L347 I371 D373L49-Y213 HydrophobicContact CD1-CE2 4.34Å; Y213-L221 HydrophobicContact CD1-CD2 4.39Å; Y213-F224 AromaticContact CD1-CD1 3.75Å; Y213-F224 HydrophobicContact CD1-CD1 3.75Å; Y213-F224 AromaticContact CD1-CD2 3.85Å; Y213-F224 HydrophobicContact CD1-CD2 3.85Å; Y213-F224 AromaticContact CD1-CE1 3.8Å; Y213-F224 HydrophobicContact CD1-CE1 3.8Å; Y213-F224 AromaticContact CD1-CE2 3.86Å; Y213-F224 HydrophobicContact CD1-CE2 3.86Å; Y213-F224 AromaticContact CD1-CG 3.78Å; Y213-F224 HydrophobicContact CD1-CG 3.78Å; Y213-F224 AromaticContact CD1-CZ 3.85Å; Y213-F224 HydrophobicContact CD1-CZ 3.85Å; Y213-F224 HydrophobicContact CD2-CD2 4.08Å; Y213-F224 HydrophobicContact CD2-CE1 4.2Å; Y213-F224 AromaticContact CD2-CE2 3.35Å; Y213-F224 HydrophobicContact CD2-CE2 3.35Å; Y213-F224 AromaticContact CD2-CZ 3.44Å; Y213-F224 HydrophobicContact CD2-CZ 3.44Å; Y213-F224 VanDerWaalsContact CD2-CZ 3.44Å; Y213-F224 HydrophobicContact CE1-CB 3.98Å; Y213-F224 AromaticContact CE1-CD1 3.99Å; Y213-F224 HydrophobicContact CE1-CD1 3.99Å; Y213-F224 AromaticContact CE1-CD2 3.36Å; Y213-F224 HydrophobicContact CE1-CD2 3.36Å; Y213-F224 HydrophobicContact CE1-CE1 4.32Å; Y213-F224 AromaticContact CE1-CE2 3.71Å; Y213-F224 HydrophobicContact CE1-CE2 3.71Å; Y213-F224 AromaticContact CE1-CG 3.5Å; Y213-F224 HydrophobicContact CE1-CG 3.5Å; Y213-F224 VanDerWaalsContact CE1-CG 3.5Å; Y213-F224 HydrophobicContact CE1-CZ 4.19Å; Y213-F224 AromaticContact CE2-CD2 3.6Å; Y213-F224 HydrophobicContact CE2-CD2 3.6Å; Y213-F224 AromaticContact CE2-CE2 3.16Å; Y213-F224 HydrophobicContact CE2-CE2 3.16Å; Y213-F224 HydrophobicContact CE2-CG 4.48Å; Y213-F224 AromaticContact CE2-CZ 3.8Å; Y213-F224 HydrophobicContact CE2-CZ 3.8Å; Y213-F224 HydrophobicContact CG-CD1 4.17Å; Y213-F224 HydrophobicContact CG-CD2 4.17Å; Y213-F224 AromaticContact CG-CE1 3.71Å; Y213-F224 HydrophobicContact CG-CE1 3.71Å; Y213-F224 AromaticContact CG-CE2 3.67Å; Y213-F224 HydrophobicContact CG-CE2 3.67Å; Y213-F224 HydrophobicContact CG-CG 4.38Å; Y213-F224 AromaticContact CG-CZ 3.44Å; Y213-F224 HydrophobicContact CG-CZ 3.44Å; Y213-F224 VanDerWaalsContact CG-CZ 3.44Å; Y213-F224 AromaticContact CZ-CD2 3.19Å; Y213-F224 AromaticContact CZ-CE2 3.34Å; Y213-F224 AromaticContact CZ-CG 3.87Å; Y213-F224 WeakPolarHBondContact OH-CD2 3.4Å; Y213-V345 PolarHBondContact N-O 3.47Å; Y213-V346 WeakPolarHBondContact O-CA 2.94Å; Y213-L347 PolarHBondContact O-N 3.09Å; Y213-I371 HydrophobicContact CD2-CB 4.1Å; Y213-I371 HydrophobicContact CD2-CG2 3.93Å; Y213-I371 HydrophobicContact CE2-CG2 4.01Å; Y213-D373 HydrophobicContact CE1-CB 4.36Å; Y213-D373 HydrophobicContact CE2-CB 4.26Å; Y213-D373 VanDerWaalsContact OH-CB 3.25Å; Y213-D373 WeakPolarHBondContact OH-CB 3.43Å; Y213-D373 PolarHBondContact OH-OD2 2.96Å
214C94.1Very high82Confident0 Ų042.6 Ų42.60%023%0.228CC..EExtended strand (participates in β ladder)trans-128.3138.6-173.8-43.70000112.4L347 V352 I371 D373C214-L347 WeakPolarHBondContact CA-O 3.43Å; C214-V352 WeakPolarHBondContact SG-CG2 3.47Å; C214-I371 PolarHBondContact N-O 3.48Å; C214-D373 PolarHBondContact O-N 2.9Å
215S90.5Very high84Confident1 Ų136.2 Ų36.21%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-140.8167.5177.1-158.10000111.2Q220 L221 L347 P348 Y349S215-Q220 VanDerWaalsContact OG-CB 3.28Å; S215-Q220 WeakPolarHBondContact OG-CB 3.37Å; S215-Q220 PolarHBondContact OG-OE1 3.2Å; S215-L221 VanDerWaalsContact CB-CD2 3.48Å; S215-L347 PolarHBondContact N-O 3.3Å; S215-P348 WeakPolarHBondContact O-CA 3.3Å; S215-Y349 WeakPolarHBondContact O-CD1 3.48Å; S215-Y349 PolarHBondContact O-N 2.91Å; S215-Y349 VanDerWaalsContact O-N 3.17Å
216R83Confident85.6Confident71 Ų7137.8 Ų37.827%0.26820%0.196SC..SBendtrans-69.3-45.3-176.7-171.5171.2172.9-161-7.2113.2Y349 Q350 N377 E772R216-Y349 HydrophobicContact CB-CD1 4.5Å; R216-Y349 HydrophobicContact CB-CE1 3.57Å; R216-Y349 HydrophobicContact CG-CE1 4.08Å; R216-Q350 PolarHBondContact O-NE2 3.46Å; R216-N377 VanDerWaalsContact CZ-ND2 3.35Å; R216-N377 PolarHBondContact NH1-ND2 2.68Å; R216-E772 IonicContact CZ-OE1 3.35Å; R216-E772 IonicContact CZ-OE2 3.31Å; R216-E772 VanDerWaalsContact NH1-CD 3.34Å; R216-E772 IonicContact NH1-OE1 3.76Å; R216-E772 PolarHBondContact NH1-OE1 3.21Å; R216-E772 IonicContact NH1-OE2 4Å; R216-E772 PolarHBondContact NH1-OE2 2.96Å; R216-E772 IonicContact NH2-OE1 2.76Å; R216-E772 PolarHBondContact NH2-OE1 2.74Å; R216-E772 IonicContact NH2-OE2 3.86Å; R216-E772 PolarHBondContact NH2-OE2 2.85Å
217T81.6Confident87Confident52 Ų5235.2 Ų35.232%0.31918%0.184SC..SBendtrans-121.6153.7-171.270.70000113S219 Q220 L221T217-S219 VanDerWaalsContact C-N 3.27Å; T217-S219 PolarHBondContact O-N 2.76Å; T217-S219 PolarHBondContact OG1-OG 3.03Å; T217-Q220 VanDerWaalsContact N-OE1 3.13Å; T217-Q220 PolarHBondContact O-N 3.11Å; T217-Q220 VanDerWaalsContact OG1-CG 3.25Å; T217-Q220 WeakPolarHBondContact OG1-CG 3.45Å; T217-Q220 PolarHBondContact OG1-N 3.32Å; T217-Q220 PolarHBondContact OG1-OE1 3.38Å; T217-L221 WeakPolarHBondContact O-CG 3.48Å; T217-L221 PolarHBondContact O-N 2.98Å
218H78.8Confident88Confident70 Ų7032 Ų3232%0.32417%0.169SC..Hα-helixtrans-60.9-33.8174.2-76.2-66.1000113.1Q220 L221 A222 N247 I317H218-Q220 PolarHBondContact O-N 3.34Å; H218-L221 PolarHBondContact O-N 2.94Å; H218-A222 WeakPolarHBondContact O-CB 3.11Å; H218-A222 PolarHBondContact O-N 3.21Å; H218-N247 PolarHBondContact CD2-ND2 3.47Å; H218-N247 PolarHBondContact CE1-ND2 3.13Å; H218-N247 PolarHBondContact NE2-ND2 3.01Å; H218-I317 WeakPolarHBondContact ND1-CD1 3.32Å
219S79.2Confident88.4Confident88 Ų8833.9 Ų33.962%0.61518%0.176SC*.Hα-helixtrans-63.5-39.117650.70000112.7T217 A222 Q223T217-S219 VanDerWaalsContact C-N 3.27Å; T217-S219 PolarHBondContact O-N 2.76Å; T217-S219 PolarHBondContact OG1-OG 3.03Å; S219-A222 PolarHBondContact O-N 2.93Å; S219-Q223 PolarHBondContact O-N 3.08Å
220Q84.3Confident88.5Confident48 Ų4838.8 Ų38.822%0.22419%0.194CC..Hα-helixtrans-68.1-39.9175.1-70.2166.9-21.200111.8S215 T217 H218 Q223 F224S215-Q220 VanDerWaalsContact OG-CB 3.28Å; S215-Q220 WeakPolarHBondContact OG-CB 3.37Å; S215-Q220 PolarHBondContact OG-OE1 3.2Å; T217-Q220 VanDerWaalsContact N-OE1 3.13Å; T217-Q220 PolarHBondContact O-N 3.11Å; T217-Q220 VanDerWaalsContact OG1-CG 3.25Å; T217-Q220 WeakPolarHBondContact OG1-CG 3.45Å; T217-Q220 PolarHBondContact OG1-N 3.32Å; T217-Q220 PolarHBondContact OG1-OE1 3.38Å; H218-Q220 PolarHBondContact O-N 3.34Å; Q220-Q223 PolarHBondContact O-N 3.45Å; Q220-F224 WeakPolarHBondContact O-CB 3.2Å; Q220-F224 PolarHBondContact O-N 2.84Å
221L88.8Confident88.2Confident1 Ų139.2 Ų39.21%0.00520%0.197CC..Hα-helixtrans-63.7-43.1175.4-61.7172.9000110.9Y213 S215 T217 H218 F224 V225 V346 P348Y213-L221 HydrophobicContact CD1-CD2 4.39Å; S215-L221 VanDerWaalsContact CB-CD2 3.48Å; T217-L221 WeakPolarHBondContact O-CG 3.48Å; T217-L221 PolarHBondContact O-N 2.98Å; H218-L221 PolarHBondContact O-N 2.94Å; L221-F224 WeakPolarHBondContact O-CB 3.16Å; L221-F224 PolarHBondContact O-N 3.23Å; L221-V225 WeakPolarHBondContact O-CG2 3.37Å; L221-V225 PolarHBondContact O-N 2.75Å; L221-V346 HydrophobicContact CB-CG1 3.88Å; L221-V346 HydrophobicContact CD2-CG1 3.55Å; L221-V346 HydrophobicContact CG-CG1 4.17Å; L221-P348 HydrophobicContact CD1-CB 4.46Å; L221-P348 HydrophobicContact CD1-CG 3.88Å
222A87.5Confident87.7Confident31 Ų3142 Ų4226%0.25622%0.215SC..Hα-helixtrans-60.9-46174.800000111.1H218 S219 F224 V225 H226H218-A222 WeakPolarHBondContact O-CB 3.11Å; H218-A222 PolarHBondContact O-N 3.21Å; S219-A222 PolarHBondContact O-N 2.93Å; A222-F224 VanDerWaalsContact C-N 3.31Å; A222-F224 PolarHBondContact O-N 3.34Å; A222-V225 PolarHBondContact O-N 3.11Å; A222-H226 PolarHBondContact O-N 3.42Å; A222-H226 VanDerWaalsContact O-N 3.08Å; A222-H226 PolarHBondContact O-ND1 3.31Å
223Q87.5Confident87.2Confident118 Ų11843.3 Ų43.355%0.55122%0.221SC*.Hα-helixtrans-57.7-44.2175.1-175.21801.600111.7S219 Q220 V225 H226 E227S219-Q223 PolarHBondContact O-N 3.08Å; Q220-Q223 PolarHBondContact O-N 3.45Å; Q223-V225 PolarHBondContact O-N 3.02Å; Q223-H226 PolarHBondContact O-N 3.38Å; Q223-E227 WeakPolarHBondContact O-CG 3.39Å; Q223-E227 PolarHBondContact O-N 3.04Å
224F90.5Very high86.5Confident5 Ų543.9 Ų43.92%0.02223%0.228CC..Hα-helixtrans-59.5-45.5176.6176.1-93.8000112.2I50 Y213 Q220 L221 A222 H226 E227 V228 L344 V346I50-F224 HydrophobicContact CD1-CD2 3.8Å; I50-F224 HydrophobicContact CD1-CE2 3.58Å; I50-F224 HydrophobicContact CD1-CZ 4.14Å; I50-F224 HydrophobicContact CG1-CD2 3.94Å; I50-F224 HydrophobicContact CG1-CE2 3.17Å; I50-F224 HydrophobicContact CG1-CZ 3.57Å; Y213-F224 AromaticContact CD1-CD1 3.75Å; Y213-F224 HydrophobicContact CD1-CD1 3.75Å; Y213-F224 AromaticContact CD1-CD2 3.85Å; Y213-F224 HydrophobicContact CD1-CD2 3.85Å; Y213-F224 AromaticContact CD1-CE1 3.8Å; Y213-F224 HydrophobicContact CD1-CE1 3.8Å; Y213-F224 AromaticContact CD1-CE2 3.86Å; Y213-F224 HydrophobicContact CD1-CE2 3.86Å; Y213-F224 AromaticContact CD1-CG 3.78Å; Y213-F224 HydrophobicContact CD1-CG 3.78Å; Y213-F224 AromaticContact CD1-CZ 3.85Å; Y213-F224 HydrophobicContact CD1-CZ 3.85Å; Y213-F224 HydrophobicContact CD2-CD2 4.08Å; Y213-F224 HydrophobicContact CD2-CE1 4.2Å; Y213-F224 AromaticContact CD2-CE2 3.35Å; Y213-F224 HydrophobicContact CD2-CE2 3.35Å; Y213-F224 AromaticContact CD2-CZ 3.44Å; Y213-F224 HydrophobicContact CD2-CZ 3.44Å; Y213-F224 VanDerWaalsContact CD2-CZ 3.44Å; Y213-F224 HydrophobicContact CE1-CB 3.98Å; Y213-F224 AromaticContact CE1-CD1 3.99Å; Y213-F224 HydrophobicContact CE1-CD1 3.99Å; Y213-F224 AromaticContact CE1-CD2 3.36Å; Y213-F224 HydrophobicContact CE1-CD2 3.36Å; Y213-F224 HydrophobicContact CE1-CE1 4.32Å; Y213-F224 AromaticContact CE1-CE2 3.71Å; Y213-F224 HydrophobicContact CE1-CE2 3.71Å; Y213-F224 AromaticContact CE1-CG 3.5Å; Y213-F224 HydrophobicContact CE1-CG 3.5Å; Y213-F224 VanDerWaalsContact CE1-CG 3.5Å; Y213-F224 HydrophobicContact CE1-CZ 4.19Å; Y213-F224 AromaticContact CE2-CD2 3.6Å; Y213-F224 HydrophobicContact CE2-CD2 3.6Å; Y213-F224 AromaticContact CE2-CE2 3.16Å; Y213-F224 HydrophobicContact CE2-CE2 3.16Å; Y213-F224 HydrophobicContact CE2-CG 4.48Å; Y213-F224 AromaticContact CE2-CZ 3.8Å; Y213-F224 HydrophobicContact CE2-CZ 3.8Å; Y213-F224 HydrophobicContact CG-CD1 4.17Å; Y213-F224 HydrophobicContact CG-CD2 4.17Å; Y213-F224 AromaticContact CG-CE1 3.71Å; Y213-F224 HydrophobicContact CG-CE1 3.71Å; Y213-F224 AromaticContact CG-CE2 3.67Å; Y213-F224 HydrophobicContact CG-CE2 3.67Å; Y213-F224 HydrophobicContact CG-CG 4.38Å; Y213-F224 AromaticContact CG-CZ 3.44Å; Y213-F224 HydrophobicContact CG-CZ 3.44Å; Y213-F224 VanDerWaalsContact CG-CZ 3.44Å; Y213-F224 AromaticContact CZ-CD2 3.19Å; Y213-F224 AromaticContact CZ-CE2 3.34Å; Y213-F224 AromaticContact CZ-CG 3.87Å; Y213-F224 WeakPolarHBondContact OH-CD2 3.4Å; Q220-F224 WeakPolarHBondContact O-CB 3.2Å; Q220-F224 PolarHBondContact O-N 2.84Å; L221-F224 WeakPolarHBondContact O-CB 3.16Å; L221-F224 PolarHBondContact O-N 3.23Å; A222-F224 VanDerWaalsContact C-N 3.31Å; A222-F224 PolarHBondContact O-N 3.34Å; F224-H226 VanDerWaalsContact C-N 3.32Å; F224-H226 PolarHBondContact O-N 3.15Å; F224-E227 PolarHBondContact O-N 3.16Å; F224-E227 VanDerWaalsContact O-N 3.12Å; F224-V228 HydrophobicContact CD1-CG2 4.14Å; F224-V228 HydrophobicContact CE1-CG2 3.71Å; F224-V228 HydrophobicContact CZ-CG2 3.96Å; F224-V228 WeakPolarHBondContact O-CG2 3.44Å; F224-V228 PolarHBondContact O-N 3.18Å; F224-L344 HydrophobicContact CE1-CD2 4.14Å; F224-L344 HydrophobicContact CZ-CD2 4.33Å; F224-V346 HydrophobicContact CD1-CG1 4.3Å; F224-V346 HydrophobicContact CD1-CG2 3.83Å; F224-V346 HydrophobicContact CE1-CG2 3.67Å
225V90.9Very high85.8Confident0 Ų049.4 Ų49.40%026%0.262CS..Hα-helixtrans-60.8-41.5178.21740000111.4L221 A222 Q223 E227 V228 Q229 L239 V314 D316 V346L221-V225 WeakPolarHBondContact O-CG2 3.37Å; L221-V225 PolarHBondContact O-N 2.75Å; A222-V225 PolarHBondContact O-N 3.11Å; Q223-V225 PolarHBondContact O-N 3.02Å; V225-E227 VanDerWaalsContact C-N 3.33Å; V225-E227 PolarHBondContact O-N 2.93Å; V225-V228 WeakPolarHBondContact O-CB 3.45Å; V225-V228 PolarHBondContact O-N 2.9Å; V225-Q229 WeakPolarHBondContact O-CG 3.4Å; V225-Q229 PolarHBondContact O-N 3.12Å; V225-L239 HydrophobicContact CG1-CD2 4.44Å; V225-L239 HydrophobicContact CG2-CD1 4.48Å; V225-L239 HydrophobicContact CG2-CD2 4.08Å; V225-V314 HydrophobicContact CG1-CG1 3.83Å; V225-D316 HydrophobicContact CB-CB 4.32Å; V225-D316 HydrophobicContact CG1-CB 3.96Å; V225-V346 HydrophobicContact CG2-CG1 4.28Å; V225-V346 HydrophobicContact CG2-CG2 4.33Å
226H89.1Confident85.3Confident73 Ų7353.2 Ų53.234%0.33829%0.286SS..Hα-helixtrans-64.8-35.2175.1-71.991.2000112.8A222 Q223 F224 Q229 K230 D316A222-H226 PolarHBondContact O-N 3.42Å; A222-H226 VanDerWaalsContact O-N 3.08Å; A222-H226 PolarHBondContact O-ND1 3.31Å; Q223-H226 PolarHBondContact O-N 3.38Å; F224-H226 VanDerWaalsContact C-N 3.32Å; F224-H226 PolarHBondContact O-N 3.15Å; H226-Q229 PolarHBondContact O-N 3.37Å; H226-K230 WeakPolarHBondContact O-CG 3.43Å; H226-K230 PolarHBondContact O-N 3.07Å; H226-D316 IonicContact CE1-OD2 2.82Å; H226-D316 PolarHBondContact CE1-OD2 3.4Å; H226-D316 IonicContact NE2-OD2 2.68Å
227E89.4Confident85.5Confident45 Ų4550.7 Ų50.721%0.2128%0.277CS..Hα-helixtrans-69.6-34174.1-68-58.6128.500111.9I50 Q223 F224 V225 K230 S231I50-E227 HydrophobicContact CD1-CB 3.87Å; Q223-E227 WeakPolarHBondContact O-CG 3.39Å; Q223-E227 PolarHBondContact O-N 3.04Å; F224-E227 PolarHBondContact O-N 3.16Å; F224-E227 VanDerWaalsContact O-N 3.12Å; V225-E227 VanDerWaalsContact C-N 3.33Å; V225-E227 PolarHBondContact O-N 2.93Å; E227-K230 PolarHBondContact O-N 3.45Å; E227-K230 IonicContact OE1-NZ 3.64Å; E227-K230 PolarHBondContact OE1-NZ 3.04Å; E227-S231 PolarHBondContact O-N 3.48Å; E227-S231 VanDerWaalsContact O-N 3.11Å
228V89.3Confident85.9Confident0 Ų048.4 Ų48.40%026%0.263CS..Hα-helixtrans-64.1-42171.1176.30000111I50 F224 V225 K230 S231 G234 I237 L239 V314 L344I50-V228 HydrophobicContact CD1-CG2 3.65Å; I50-V228 HydrophobicContact CG1-CG2 3.95Å; I50-V228 HydrophobicContact CG2-CG2 4.12Å; F224-V228 HydrophobicContact CD1-CG2 4.14Å; F224-V228 HydrophobicContact CE1-CG2 3.71Å; F224-V228 HydrophobicContact CZ-CG2 3.96Å; F224-V228 WeakPolarHBondContact O-CG2 3.44Å; F224-V228 PolarHBondContact O-N 3.18Å; V225-V228 WeakPolarHBondContact O-CB 3.45Å; V225-V228 PolarHBondContact O-N 2.9Å; V228-K230 VanDerWaalsContact C-N 3.26Å; V228-K230 PolarHBondContact O-N 3.34Å; V228-S231 WeakPolarHBondContact O-CB 3.28Å; V228-S231 PolarHBondContact O-N 2.77Å; V228-S231 PolarHBondContact O-OG 3.17Å; V228-G234 WeakPolarHBondContact O-CA 3.44Å; V228-I237 HydrophobicContact CG1-CG2 4.03Å; V228-L239 HydrophobicContact CB-CD1 4.22Å; V228-L239 HydrophobicContact CG1-CD1 3.97Å; V228-L239 HydrophobicContact CG2-CD1 4.14Å; V228-V314 HydrophobicContact CG1-CG1 4.28Å; V228-V314 HydrophobicContact CG1-CG2 4.5Å; V228-L344 HydrophobicContact CG2-CD2 4.22Å
229Q89.6Confident86.5Confident69 Ų6945.1 Ų45.132%0.32225%0.248SC..Hα-helixtrans-59.9-34.8176.5-72.6171.3-11.600112.8V225 H226 V314 Q319V225-Q229 WeakPolarHBondContact O-CG 3.4Å; V225-Q229 PolarHBondContact O-N 3.12Å; H226-Q229 PolarHBondContact O-N 3.37Å; Q229-V314 HydrophobicContact CG-CB 4.08Å; Q229-V314 HydrophobicContact CG-CG1 3.73Å; Q229-V314 PolarHBondContact NE2-O 3.28Å; Q229-Q319 VanDerWaalsContact NE2-OE1 3.12Å
230K86.4Confident87.2Confident136 Ų13641 Ų4159%0.59122%0.219SC*.Hα-helixtrans-79-18.2175.3-65.8173.6-166.9166.10113.6H226 E227 V228H226-K230 WeakPolarHBondContact O-CG 3.43Å; H226-K230 PolarHBondContact O-N 3.07Å; E227-K230 PolarHBondContact O-N 3.45Å; E227-K230 IonicContact OE1-NZ 3.64Å; E227-K230 PolarHBondContact OE1-NZ 3.04Å; V228-K230 VanDerWaalsContact C-N 3.26Å; V228-K230 PolarHBondContact O-N 3.34Å
231S85.8Confident87.6Confident9 Ų938.8 Ų38.86%0.06321%0.209CC..SBendtrans-74.3158.5-176.780.50000111.4E227 V228 F233 G234E227-S231 PolarHBondContact O-N 3.48Å; E227-S231 VanDerWaalsContact O-N 3.11Å; V228-S231 WeakPolarHBondContact O-CB 3.28Å; V228-S231 PolarHBondContact O-N 2.77Å; V228-S231 PolarHBondContact O-OG 3.17Å; S231-F233 PolarHBondContact O-N 3.03Å; S231-F233 PolarHBondContact OG-N 3.36Å; S231-G234 PolarHBondContact O-N 3.1Å; S231-G234 VanDerWaalsContact O-N 3.07Å
232P84.4Confident87.8Confident60 Ų6038.9 Ų38.939%0.3921%0.209SC..THydrogen-bonded Turntrans-56.8-18.1173.6-2534.8000114.2P9P9-P232 HydrophobicContact CB-CB 4.21Å; P9-P232 HydrophobicContact CB-CG 4.16Å
233F85.5Confident87.8Confident29 Ų2937.5 Ų37.513%0.12720%0.199CC..THydrogen-bonded Turntrans-90.3-7-177.7-57.8-78.7000113.6P9 L54 S231 T235 T236 I237P9-F233 HydrophobicContact CB-CE2 4.15Å; P9-F233 HydrophobicContact CB-CZ 3.95Å; P9-F233 HydrophobicContact CG-CZ 3.9Å; L54-F233 HydrophobicContact CB-CD1 4.2Å; L54-F233 HydrophobicContact CB-CD2 4.09Å; L54-F233 HydrophobicContact CB-CE1 4.33Å; L54-F233 HydrophobicContact CB-CE2 4.23Å; L54-F233 HydrophobicContact CB-CG 4.06Å; L54-F233 HydrophobicContact CB-CZ 4.34Å; L54-F233 HydrophobicContact CD1-CB 3.69Å; L54-F233 HydrophobicContact CD1-CD2 3.96Å; L54-F233 HydrophobicContact CD1-CG 3.86Å; S231-F233 PolarHBondContact O-N 3.03Å; S231-F233 PolarHBondContact OG-N 3.36Å; F233-T235 PolarHBondContact O-N 3.07Å; F233-T235 VanDerWaalsContact O-N 3.09Å; F233-T236 PolarHBondContact O-N 3.33Å; F233-I237 VanDerWaalsContact O-CG2 3.26Å; F233-I237 WeakPolarHBondContact O-CG2 3.44Å; F233-I237 PolarHBondContact O-N 3.13Å
234G79.7Confident87.8Confident15 Ų1533.9 Ų33.916%0.15519%0.186CC..THydrogen-bonded Turntrans-59.5-25.2-170.500000115.5V228 S231 V314V228-G234 WeakPolarHBondContact O-CA 3.44Å; S231-G234 PolarHBondContact O-N 3.1Å; S231-G234 VanDerWaalsContact O-N 3.07Å; G234-V314 VanDerWaalsContact O-CG2 3.29Å; G234-V314 WeakPolarHBondContact O-CG2 3.45Å
235T79.3Confident87.6Confident116 Ų11635.5 Ų35.571%0.71219%0.192SC*.THydrogen-bonded Turntrans-96.8-17.5177.754.40000113.7F233F233-T235 PolarHBondContact O-N 3.07Å; F233-T235 VanDerWaalsContact O-N 3.09Å
236T81.5Confident87.4Confident82 Ų8239 Ų3950%0.50321%0.209SC..THydrogen-bonded Turntrans-102-26.8-171.9-52.20000112R133 F233R133-T236 PolarHBondContact NH2-O 3Å; F233-T236 PolarHBondContact O-N 3.33Å
237I86.6Confident87.3Confident18 Ų1837.6 Ų37.69%0.09220%0.204CC..  trans-89.4138.5-175.8-160.373.5000112.3L54 L57 V228 F233 V314 Q343 L344L54-I237 HydrophobicContact CD2-CD1 3.72Å; L54-I237 HydrophobicContact CD2-CG1 4.07Å; L57-I237 HydrophobicContact CD2-CD1 4.29Å; V228-I237 HydrophobicContact CG1-CG2 4.03Å; F233-I237 VanDerWaalsContact O-CG2 3.26Å; F233-I237 WeakPolarHBondContact O-CG2 3.44Å; F233-I237 PolarHBondContact O-N 3.13Å; I237-V314 HydrophobicContact CG2-CG2 3.99Å; I237-Q343 HydrophobicContact CD1-CB 3.63Å; I237-Q343 HydrophobicContact CD1-CG 4.44Å; I237-Q343 HydrophobicContact CG1-CB 4.26Å; I237-L344 HydrophobicContact CG1-CB 4.12Å
238S89.6Confident87.3Confident4 Ų435.5 Ų35.53%0.02819%0.194CC..  trans-89102.3170.6-39.70000109.5M129 Q343 L344M129-S238 WeakPolarHBondContact CE-OG 3.48Å; S238-Q343 PolarHBondContact O-N 2.99Å; S238-L344 PolarHBondContact O-N 2.86Å; S238-L344 VanDerWaalsContact O-N 3.12Å
239L92.8Very high87.4Confident1 Ų136.3 Ų36.31%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-105.8133.1-178.1-173.6151.7000112V225 V228 T241 V314 L344 V346V225-L239 HydrophobicContact CG1-CD2 4.44Å; V225-L239 HydrophobicContact CG2-CD1 4.48Å; V225-L239 HydrophobicContact CG2-CD2 4.08Å; V228-L239 HydrophobicContact CB-CD1 4.22Å; V228-L239 HydrophobicContact CG1-CD1 3.97Å; V228-L239 HydrophobicContact CG2-CD1 4.14Å; L239-T241 WeakPolarHBondContact CD2-OG1 3.31Å; L239-V314 HydrophobicContact CB-CB 4.45Å; L239-V314 HydrophobicContact CB-CG1 4.08Å; L239-V314 HydrophobicContact CB-CG2 3.97Å; L239-V314 HydrophobicContact CD1-CG1 3.96Å; L239-V314 HydrophobicContact CD2-CG1 4.22Å; L239-V314 HydrophobicContact CG-CG1 4.31Å; L239-L344 CarbonylContact C-O 3.58Å; L239-L344 VanDerWaalsContact CA-O 3.29Å; L239-L344 WeakPolarHBondContact CA-O 3.44Å; L239-L344 HydrophobicContact CD1-CD2 3.64Å; L239-L344 HydrophobicContact CD1-CG 3.99Å; L239-L344 HydrophobicContact CG-CB 4.49Å; L239-L344 HydrophobicContact CG-CD2 4.36Å; L239-L344 HydrophobicContact CG-CG 4.23Å; L239-V346 HydrophobicContact CD1-CG2 3.9Å; L239-V346 HydrophobicContact CD2-CG2 4.09Å; L239-V346 HydrophobicContact CG-CG2 4.07Å
240V93.4Very high87.4Confident0 Ų033.2 Ų33.20%019%0.185CC..EExtended strand (participates in β ladder)trans-121.6128.2172.6173.70000110.9L242 V310 T335 A338 V339 A342 L344 V345 V346V240-L242 HydrophobicContact CG1-CD2 4.11Å; V240-V310 HydrophobicContact CG2-CG1 4Å; V240-T335 WeakPolarHBondContact CG1-O 3.38Å; V240-A338 HydrophobicContact CG2-CB 3.59Å; V240-V339 HydrophobicContact CG1-CG2 4.38Å; V240-A342 HydrophobicContact CB-CB 4.11Å; V240-A342 HydrophobicContact CG2-CB 3.56Å; V240-L344 PolarHBondContact N-O 3.22Å; V240-V345 WeakPolarHBondContact O-CA 3.41Å; V240-V346 PolarHBondContact O-N 2.71Å
241T93.1Very high87.6Confident3 Ų327.3 Ų27.32%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-98.3121.2173.9-54.10000110.4L239 Q315 I317L239-T241 WeakPolarHBondContact CD2-OG1 3.31Å; T241-Q315 PolarHBondContact OG1-O 3.29Å; T241-I317 HydrophobicContact CG2-CD1 4.23Å; T241-I317 HydrophobicContact CG2-CG1 3.64Å
242L91.5Very high87.6Confident2 Ų230.3 Ų30.31%0.0117%0.173CC..  trans-96.9141176.3-62.1177.1000111.5V240 V339 V345 V346 L347 M351 A361 V363V240-L242 HydrophobicContact CG1-CD2 4.11Å; L242-V339 HydrophobicContact CD1-CG2 4.28Å; L242-V339 HydrophobicContact CD2-CG2 3.86Å; L242-V339 HydrophobicContact CG-CG2 4.5Å; L242-V345 HydrophobicContact CD1-CG1 3.67Å; L242-V345 HydrophobicContact CG-CG1 4Å; L242-V346 PolarHBondContact N-O 2.91Å; L242-L347 HydrophobicContact CB-CB 4.04Å; L242-L347 HydrophobicContact CD1-CB 4.29Å; L242-M351 HydrophobicContact CB-CE 4.31Å; L242-A361 HydrophobicContact CD1-CB 4.39Å; L242-V363 HydrophobicContact CD1-CG2 4.06Å
243G87.1Confident87.5Confident3 Ų332.6 Ų32.63%0.03118%0.178CC..  trans-145.4172179.300000113.3
244S87.8Confident87.4Confident42 Ų4231.3 Ų31.329%0.29417%0.173SC..  trans-72.2163.1172.471.10000111Q246 N247 L248S244-Q246 PolarHBondContact O-N 2.99Å; S244-Q246 PolarHBondContact OG-N 3.08Å; S244-N247 PolarHBondContact O-N 3.2Å; S244-N247 VanDerWaalsContact O-N 3.1Å; S244-N247 PolarHBondContact OG-N 3.39Å; S244-L248 PolarHBondContact O-N 3.46Å; S244-L248 VanDerWaalsContact O-N 3.08Å
245R87.9Confident87.6Confident39 Ų3935.6 Ų35.615%0.14718%0.184CC..Hα-helixtrans-60.1-32.9172.3-68.3-168.6-178.491.5-2.2112.1N247 L248 C249 I263 N264 M268 Y332 Y333R245-N247 PolarHBondContact O-N 3.06Å; R245-L248 PolarHBondContact O-N 3.45Å; R245-C249 WeakPolarHBondContact O-CB 3.34Å; R245-C249 PolarHBondContact O-N 3.2Å; R245-I263 HydrophobicContact CB-CG2 3.76Å; R245-N264 VanDerWaalsContact CD-OD1 3.3Å; R245-N264 WeakPolarHBondContact CD-OD1 3.46Å; R245-N264 PolarHBondContact NH1-OD1 3.3Å; R245-M268 PolarHBondContact NH2-SD 2.69Å; R245-M268 VanDerWaalsContact NH2-SD 3.35Å; R245-Y332 HydrophobicContact CG-CD1 4.21Å; R245-Y332 HydrophobicContact CG-CD2 3.79Å; R245-Y332 HydrophobicContact CG-CE1 3.98Å; R245-Y332 HydrophobicContact CG-CE2 3.52Å; R245-Y332 HydrophobicContact CG-CG 4.11Å; R245-Y332 PolarHBondContact NH2-OH 3.49Å; R245-Y333 PolarHBondContact NH2-OH 3.31Å
246Q85.9Confident87.8Confident74 Ų7438.9 Ų38.935%0.34618%0.184SC..Hα-helixtrans-58.7-37176-173.2179.530.900111.8S244 I260 I263S244-Q246 PolarHBondContact O-N 2.99Å; S244-Q246 PolarHBondContact OG-N 3.08Å; Q246-I260 HydrophobicContact CB-CG1 4.42Å; Q246-I263 HydrophobicContact CB-CD1 4.16Å; Q246-I263 HydrophobicContact CG-CD1 4Å
247N86.3Confident87.6Confident43 Ų4338.6 Ų38.623%0.2318%0.179CC..Hα-helixtrans-90.2-27-175.6-62.6-5.8000113.3H218 S244 R245 I317 L321H218-N247 PolarHBondContact CD2-ND2 3.47Å; H218-N247 PolarHBondContact CE1-ND2 3.13Å; H218-N247 PolarHBondContact NE2-ND2 3.01Å; S244-N247 PolarHBondContact O-N 3.2Å; S244-N247 VanDerWaalsContact O-N 3.1Å; S244-N247 PolarHBondContact OG-N 3.39Å; R245-N247 PolarHBondContact O-N 3.06Å; N247-I317 HydrophobicContact CB-CG2 4.24Å; N247-L321 WeakPolarHBondContact O-CD1 3.43Å
248L90.1Very high86.8Confident1 Ų140.2 Ų40.21%0.00520%0.2CC..Hα-helixtrans-108.50.8-174-71173.3000114.2S244 R245 I317 L320 P331 Y332S244-L248 PolarHBondContact O-N 3.46Å; S244-L248 VanDerWaalsContact O-N 3.08Å; R245-L248 PolarHBondContact O-N 3.45Å; L248-I317 HydrophobicContact CD2-CG2 4Å; L248-L320 HydrophobicContact CD2-CB 4.3Å; L248-L320 HydrophobicContact CD2-CD1 4.25Å; L248-P331 HydrophobicContact CB-CB 4.33Å; L248-P331 HydrophobicContact CD2-CB 4.14Å; L248-P331 WeakPolarHBondContact O-CD 3.49Å; L248-P331 WeakPolarHBondContact O-CG 3.38Å; L248-Y332 HydrophobicContact CD1-CD2 4.45Å
249C90.9Very high86.1Confident16 Ų1640.8 Ų40.811%0.10820%0.204CC..  trans-80.2121.8179.6-171.80000112.1R245 N251R245-C249 WeakPolarHBondContact O-CB 3.34Å; R245-C249 PolarHBondContact O-N 3.2Å; C249-N251 PolarHBondContact SG-N 3.33Å
250V90.8Very high85.4Confident4 Ų445 Ų452%0.02423%0.225CC..  trans-91.8-12.8174.3-660000113.4E252 Y297 L321 K325 P331V250-E252 PolarHBondContact O-N 2.9Å; V250-Y297 HydrophobicContact CB-CE1 4.48Å; V250-Y297 HydrophobicContact CG2-CD1 3.5Å; V250-Y297 HydrophobicContact CG2-CD2 4.01Å; V250-Y297 HydrophobicContact CG2-CE1 3.74Å; V250-Y297 HydrophobicContact CG2-CE2 4.21Å; V250-Y297 HydrophobicContact CG2-CG 3.66Å; V250-L321 HydrophobicContact CG1-CD2 3.87Å; V250-K325 HydrophobicContact CB-CG 4.43Å; V250-K325 HydrophobicContact CG1-CG 4.21Å; V250-P331 HydrophobicContact CG1-CG 3.68Å
251N89.2Confident84.4Confident13 Ų1347.2 Ų47.27%0.0724%0.236CC..  trans-76.9111.3178.3-174.1-11.1000110.5C249 E253 V254 R255 Y297C249-N251 PolarHBondContact SG-N 3.33Å; N251-E253 VanDerWaalsContact C-N 3.26Å; N251-E253 PolarHBondContact O-N 2.79Å; N251-E253 WeakPolarHBondContact OD1-CB 3.44Å; N251-E253 PolarHBondContact OD1-N 2.9Å; N251-V254 HydrophobicContact CB-CB 4.35Å; N251-V254 HydrophobicContact CB-CG2 4.15Å; N251-V254 PolarHBondContact O-N 3.43Å; N251-R255 PolarHBondContact O-N 3.47Å; N251-Y297 HydrophobicContact CB-CD2 4.32Å; N251-Y297 HydrophobicContact CB-CE2 4.37Å
252E85.7Confident83.6Confident71 Ų7150.1 Ų50.133%0.33225%0.249SC..Hα-helixtrans-62.5-27.1-179.4-65.2-63.6155.900113.6V250 R255 R256V250-E252 PolarHBondContact O-N 2.9Å; E252-R255 IonicContact OE1-CZ 3.4Å; E252-R255 IonicContact OE1-NH1 3.53Å; E252-R255 PolarHBondContact OE1-NH1 3.42Å; E252-R255 IonicContact OE1-NH2 3.52Å; E252-R255 PolarHBondContact OE1-NH2 2.94Å; E252-R255 IonicContact OE2-CZ 3.98Å; E252-R255 IonicContact OE2-NE 2.81Å; E252-R255 IonicContact OE2-NH1 3.58Å; E252-R255 IonicContact OE2-NH2 2.59Å; E252-R255 PolarHBondContact OE2-NH2 3.01Å; E252-R256 WeakPolarHBondContact O-CB 3.48Å; E252-R256 VanDerWaalsContact O-CG 3.26Å; E252-R256 WeakPolarHBondContact O-CG 3.46Å; E252-R256 PolarHBondContact O-N 2.98Å; E252-R256 PolarHBondContact O-NE 3.4Å
253E83Confident83.1Confident108 Ų10850.2 Ų50.251%0.50525%0.249SC..Hα-helixtrans-67.5-43.2174.8-64.2-178.416700111.3N251N251-E253 VanDerWaalsContact C-N 3.26Å; N251-E253 PolarHBondContact O-N 2.79Å; N251-E253 WeakPolarHBondContact OD1-CB 3.44Å; N251-E253 PolarHBondContact OD1-N 2.9Å
254V83.9Confident83Confident3 Ų351.8 Ų51.82%0.01826%0.257CS..Hα-helixtrans-73.5-40.8179.5-179.60000110.1N251 R256 L257 I263 R266 M270N251-V254 HydrophobicContact CB-CB 4.35Å; N251-V254 HydrophobicContact CB-CG2 4.15Å; N251-V254 PolarHBondContact O-N 3.43Å; V254-R256 VanDerWaalsContact C-N 3.29Å; V254-R256 PolarHBondContact O-N 3.28Å; V254-L257 WeakPolarHBondContact O-CB 3.33Å; V254-L257 WeakPolarHBondContact O-CG 3.1Å; V254-L257 PolarHBondContact O-N 3.36Å; V254-I263 HydrophobicContact CG1-CB 4.26Å; V254-I263 HydrophobicContact CG1-CG1 4.33Å; V254-I263 HydrophobicContact CG1-CG2 3.9Å; V254-I263 WeakPolarHBondContact O-CG1 3.27Å; V254-R266 HydrophobicContact CG2-CG 4.09Å; V254-M270 HydrophobicContact CG2-CE 3.92Å; V254-M270 HydrophobicContact CG2-SD 3.95Å
255R84.1Confident82.5Confident104 Ų10451.5 Ų51.539%0.39225%0.252SS..Hα-helixtrans-65.4-32-178.2-159.4172.581.1-135.6-2.8112.7N251 E252 L257 G258N251-R255 PolarHBondContact O-N 3.47Å; E252-R255 IonicContact OE1-CZ 3.4Å; E252-R255 IonicContact OE1-NH1 3.53Å; E252-R255 PolarHBondContact OE1-NH1 3.42Å; E252-R255 IonicContact OE1-NH2 3.52Å; E252-R255 PolarHBondContact OE1-NH2 2.94Å; E252-R255 IonicContact OE2-CZ 3.98Å; E252-R255 IonicContact OE2-NE 2.81Å; E252-R255 IonicContact OE2-NH1 3.58Å; E252-R255 IonicContact OE2-NH2 2.59Å; E252-R255 PolarHBondContact OE2-NH2 3.01Å; R255-L257 PolarHBondContact O-N 3.2Å; R255-G258 PolarHBondContact O-N 3.45Å
256R83Confident82.1Confident185 Ų18553.2 Ų53.270%0.69826%0.259SS*.THydrogen-bonded Turntrans-62.9-19.3177.5-86.2-178.7-87.6171.8-7.7114.2E252 V254 G258E252-R256 WeakPolarHBondContact O-CB 3.48Å; E252-R256 VanDerWaalsContact O-CG 3.26Å; E252-R256 WeakPolarHBondContact O-CG 3.46Å; E252-R256 PolarHBondContact O-N 2.98Å; E252-R256 PolarHBondContact O-NE 3.4Å; V254-R256 VanDerWaalsContact C-N 3.29Å; V254-R256 PolarHBondContact O-N 3.28Å; R256-G258 PolarHBondContact O-N 3.22Å
257L77.3Confident82Confident77 Ų7750.7 Ų50.740%0.40325%0.249SC..THydrogen-bonded Turntrans-66.8-20.7179.8-62.6171000113.3V254 R255 S259 H262 I263 R266V254-L257 WeakPolarHBondContact O-CB 3.33Å; V254-L257 WeakPolarHBondContact O-CG 3.1Å; V254-L257 PolarHBondContact O-N 3.36Å; R255-L257 PolarHBondContact O-N 3.2Å; L257-S259 PolarHBondContact O-N 2.83Å; L257-H262 HydrophobicContact CB-CB 3.98Å; L257-H262 HydrophobicContact CD1-CB 4.15Å; L257-I263 HydrophobicContact CB-CG1 4.32Å; L257-R266 HydrophobicContact CD1-CB 3.67Å; L257-R266 HydrophobicContact CD1-CG 3.99Å
258G69Low81.8Confident51 Ų5151.2 Ų51.253%0.52625%0.251SS..  trans70-40.3172.400000116R255 R256R255-G258 PolarHBondContact O-N 3.45Å; R256-G258 PolarHBondContact O-N 3.22Å
259S75.1Confident81.2Confident16 Ų1654.2 Ų54.211%0.11227%0.265CS..SBendtrans-80.6134.3176.4177.60000111.7L257 Q261 H262 I263 S549L257-S259 PolarHBondContact O-N 2.83Å; S259-Q261 PolarHBondContact O-N 3.47Å; S259-Q261 PolarHBondContact OG-N 3.17Å; S259-H262 VanDerWaalsContact CB-CD2 3.47Å; S259-H262 WeakPolarHBondContact CB-CD2 3.2Å; S259-H262 PolarHBondContact O-N 3Å; S259-I263 WeakPolarHBondContact O-CB 3.5Å; S259-I263 WeakPolarHBondContact O-CD1 3.28Å; S259-I263 WeakPolarHBondContact O-CG1 3.43Å; S259-I263 PolarHBondContact O-N 3.3Å; S259-S549 PolarHBondContact OG-O 3.33Å; S259-S549 PolarHBondContact OG-OG 2.95Å
260I77.2Confident80.7Confident90 Ų9053.7 Ų53.746%0.46226%0.261SS..Hα-helixtrans-54.9-38.5174.6-64168.6000110.9Q246 N264Q246-I260 HydrophobicContact CB-CG1 4.42Å; I260-N264 VanDerWaalsContact O-CG 3.27Å; I260-N264 PolarHBondContact O-N 3.09Å; I260-N264 PolarHBondContact O-ND2 3.45Å; I260-N264 VanDerWaalsContact O-ND2 3.13Å
261Q73.1Confident80Confident46 Ų4655.4 Ų55.422%0.21527%0.268CS..Hα-helixtrans-70.1-51.8-175.7-16953.342.500111.4S259 I263 N264 D265 M554S259-Q261 PolarHBondContact O-N 3.47Å; S259-Q261 PolarHBondContact OG-N 3.17Å; Q261-I263 VanDerWaalsContact C-N 3.27Å; Q261-I263 PolarHBondContact O-N 2.94Å; Q261-N264 WeakPolarHBondContact O-CB 3.34Å; Q261-N264 PolarHBondContact O-N 2.84Å; Q261-D265 PolarHBondContact NE2-OD1 2.84Å; Q261-D265 PolarHBondContact NE2-OD2 2.92Å; Q261-D265 PolarHBondContact O-N 3.12Å; Q261-M554 HydrophobicContact CG-SD 3.93Å; Q261-M554 PolarHBondContact NE2-SD 3.42Å
262H75.9Confident79Confident65 Ų6560.1 Ų60.130%0.30129%0.288SS..Hα-helixtrans-60.7-37176.5-63.6-56.8000112.1L257 S259 N264 D265 R266 E492L257-H262 HydrophobicContact CB-CB 3.98Å; L257-H262 HydrophobicContact CD1-CB 4.15Å; S259-H262 VanDerWaalsContact CB-CD2 3.47Å; S259-H262 WeakPolarHBondContact CB-CD2 3.2Å; S259-H262 PolarHBondContact O-N 3Å; H262-N264 PolarHBondContact O-N 2.95Å; H262-D265 PolarHBondContact O-N 3.41Å; H262-R266 VanDerWaalsContact O-CB 3.26Å; H262-R266 WeakPolarHBondContact O-CB 3.43Å; H262-R266 PolarHBondContact O-N 3.35Å; H262-E492 IonicContact CE1-OE1 2.86Å; H262-E492 PolarHBondContact CE1-OE1 3.26Å; H262-E492 IonicContact ND1-OE1 3.19Å; H262-E492 PolarHBondContact ND1-OE1 3.38Å
263I82.6Confident78Confident3 Ų357.5 Ų57.52%0.01528%0.277CS..Hα-helixtrans-59.4-46.1173.3-72.7166.3000111.1R245 Q246 V254 L257 S259 Q261 C267R245-I263 HydrophobicContact CB-CG2 3.76Å; Q246-I263 HydrophobicContact CB-CD1 4.16Å; Q246-I263 HydrophobicContact CG-CD1 4Å; V254-I263 HydrophobicContact CG1-CB 4.26Å; V254-I263 HydrophobicContact CG1-CG1 4.33Å; V254-I263 HydrophobicContact CG1-CG2 3.9Å; V254-I263 WeakPolarHBondContact O-CG1 3.27Å; L257-I263 HydrophobicContact CB-CG1 4.32Å; S259-I263 WeakPolarHBondContact O-CB 3.5Å; S259-I263 WeakPolarHBondContact O-CD1 3.28Å; S259-I263 WeakPolarHBondContact O-CG1 3.43Å; S259-I263 PolarHBondContact O-N 3.3Å; Q261-I263 VanDerWaalsContact C-N 3.27Å; Q261-I263 PolarHBondContact O-N 2.94Å; I263-C267 WeakPolarHBondContact O-CB 3.43Å; I263-C267 PolarHBondContact O-N 2.92Å; I263-C267 VanDerWaalsContact O-N 3.09Å
264N83.3Confident76.7Confident37 Ų3756.8 Ų56.820%0.19827%0.272CS..Hα-helixtrans-65.3-46.9179.4-74.9-37.2000111.8R245 I260 Q261 H262 C267 M268R245-N264 VanDerWaalsContact CD-OD1 3.3Å; R245-N264 WeakPolarHBondContact CD-OD1 3.46Å; R245-N264 PolarHBondContact NH1-OD1 3.3Å; I260-N264 VanDerWaalsContact O-CG 3.27Å; I260-N264 PolarHBondContact O-N 3.09Å; I260-N264 PolarHBondContact O-ND2 3.45Å; I260-N264 VanDerWaalsContact O-ND2 3.13Å; Q261-N264 WeakPolarHBondContact O-CB 3.34Å; Q261-N264 PolarHBondContact O-N 2.84Å; H262-N264 PolarHBondContact O-N 2.95Å; N264-C267 PolarHBondContact O-N 3.22Å; N264-M268 VanDerWaalsContact O-CG 3.27Å; N264-M268 WeakPolarHBondContact O-CG 3.44Å; N264-M268 PolarHBondContact O-N 3.03Å
265D77.4Confident75Confident36 Ų3664.5 Ų64.519%0.19331%0.308CS..Hα-helixtrans-66.5-48.5-176-68.4-31.2000111Q261 H262 C267 M268 E269 R485Q261-D265 PolarHBondContact NE2-OD1 2.84Å; Q261-D265 PolarHBondContact NE2-OD2 2.92Å; Q261-D265 PolarHBondContact O-N 3.12Å; H262-D265 PolarHBondContact O-N 3.41Å; D265-C267 VanDerWaalsContact C-N 3.32Å; D265-C267 PolarHBondContact O-N 2.86Å; D265-M268 PolarHBondContact O-N 3.48Å; D265-E269 WeakPolarHBondContact O-CB 3.34Å; D265-E269 PolarHBondContact O-N 3.22Å; D265-R485 IonicContact OD1-NE 3.75Å
266R80.8Confident73.3Confident74 Ų7465 Ų6528%0.27931%0.314SS..Hα-helixtrans-61.1-39.2176.3-173.960.5172.2172.83.6112.6V254 L257 H262 E269 M270V254-R266 HydrophobicContact CG2-CG 4.09Å; L257-R266 HydrophobicContact CD1-CB 3.67Å; L257-R266 HydrophobicContact CD1-CG 3.99Å; H262-R266 VanDerWaalsContact O-CB 3.26Å; H262-R266 WeakPolarHBondContact O-CB 3.43Å; H262-R266 PolarHBondContact O-N 3.35Å; R266-E269 VanDerWaalsContact CD-OE2 3.24Å; R266-E269 WeakPolarHBondContact CD-OE2 3.44Å; R266-E269 IonicContact CZ-OE2 3.74Å; R266-E269 IonicContact NE-OE2 2.58Å; R266-E269 IonicContact NH1-OE1 3.23Å; R266-E269 PolarHBondContact NH1-OE1 3.39Å; R266-E269 IonicContact NH1-OE2 2.62Å; R266-E269 PolarHBondContact NH1-OE2 3.25Å; R266-E269 PolarHBondContact O-N 3.13Å; R266-M270 HydrophobicContact CG-CE 4.09Å; R266-M270 WeakPolarHBondContact O-CG 3.44Å; R266-M270 PolarHBondContact O-N 2.89Å; R266-M270 VanDerWaalsContact O-N 3.08Å
267C84.3Confident71.3Confident22 Ų2263.6 Ų63.615%0.14931%0.313CS..Hα-helixtrans-63.5-43.2176.9-178.70000111.6I263 N264 D265 Q271I263-C267 WeakPolarHBondContact O-CB 3.43Å; I263-C267 PolarHBondContact O-N 2.92Å; I263-C267 VanDerWaalsContact O-N 3.09Å; N264-C267 PolarHBondContact O-N 3.22Å; D265-C267 VanDerWaalsContact C-N 3.32Å; D265-C267 PolarHBondContact O-N 2.86Å; C267-Q271 WeakPolarHBondContact O-CG 3.36Å; C267-Q271 PolarHBondContact O-N 3.35Å
268M81.2Confident69.3Low54 Ų5467.4 Ų67.427%0.26633%0.329SS..Hα-helixtrans-68.3-38177.8-69.6-63.5-59.300112.3R245 N264 D265 Q271 K272R245-M268 PolarHBondContact NH2-SD 2.69Å; R245-M268 VanDerWaalsContact NH2-SD 3.35Å; N264-M268 VanDerWaalsContact O-CG 3.27Å; N264-M268 WeakPolarHBondContact O-CG 3.44Å; N264-M268 PolarHBondContact O-N 3.03Å; D265-M268 PolarHBondContact O-N 3.48Å; M268-Q271 WeakPolarHBondContact O-CB 3.44Å; M268-Q271 PolarHBondContact O-N 2.95Å; M268-Q271 VanDerWaalsContact O-N 3.13Å; M268-K272 PolarHBondContact O-N 3.4Å; M268-K272 VanDerWaalsContact O-N 3.1Å
269E77.8Confident67.7Low64 Ų6474.4 Ų74.430%0.29935%0.348SS..Hα-helixtrans-58.2-50.4174.3-170.7-164.1161.300111.1D265 R266 Q271 K272 N273D265-E269 WeakPolarHBondContact O-CB 3.34Å; D265-E269 PolarHBondContact O-N 3.22Å; R266-E269 VanDerWaalsContact CD-OE2 3.24Å; R266-E269 WeakPolarHBondContact CD-OE2 3.44Å; R266-E269 IonicContact CZ-OE2 3.74Å; R266-E269 IonicContact NE-OE2 2.58Å; R266-E269 IonicContact NH1-OE1 3.23Å; R266-E269 PolarHBondContact NH1-OE1 3.39Å; R266-E269 IonicContact NH1-OE2 2.62Å; R266-E269 PolarHBondContact NH1-OE2 3.25Å; R266-E269 PolarHBondContact O-N 3.13Å; E269-Q271 PolarHBondContact O-N 2.75Å; E269-Q271 VanDerWaalsContact O-N 3.07Å; E269-K272 PolarHBondContact O-N 3.41Å; E269-N273 PolarHBondContact O-N 2.96Å
270M81Confident65.8Low4 Ų480.7 Ų80.72%0.0238%0.375CS..Hα-helixtrans-60.7-19.9175.9-71.2-176.2178.100113.8V254 R266 C295V254-M270 HydrophobicContact CG2-CE 3.92Å; V254-M270 HydrophobicContact CG2-SD 3.95Å; R266-M270 HydrophobicContact CG-CE 4.09Å; R266-M270 WeakPolarHBondContact O-CG 3.44Å; R266-M270 PolarHBondContact O-N 2.89Å; R266-M270 VanDerWaalsContact O-N 3.08Å; M270-C295 HydrophobicContact CB-CB 4.17Å; M270-C295 HydrophobicContact SD-CB 4.22Å
271Q75.4Confident63.8Low40 Ų4085.2 Ų85.219%0.18739%0.394CS..Hα-helixtrans-84.2-42.1174.8-70.7-159.7-49.200113.1C267 M268 E269 N273 K274 Y333C267-Q271 WeakPolarHBondContact O-CG 3.36Å; C267-Q271 PolarHBondContact O-N 3.35Å; M268-Q271 WeakPolarHBondContact O-CB 3.44Å; M268-Q271 PolarHBondContact O-N 2.95Å; M268-Q271 VanDerWaalsContact O-N 3.13Å; E269-Q271 PolarHBondContact O-N 2.75Å; E269-Q271 VanDerWaalsContact O-N 3.07Å; Q271-N273 PolarHBondContact O-N 2.86Å; Q271-K274 WeakPolarHBondContact O-CB 3.48Å; Q271-K274 PolarHBondContact O-N 3.1Å; Q271-Y333 VanDerWaalsContact CD-CZ 3.42Å; Q271-Y333 VanDerWaalsContact NE2-CE1 3.31Å; Q271-Y333 PolarHBondContact NE2-OH 2.65Å; Q271-Y333 PolarHBondContact OE1-OH 3.38Å
272K69Low62.2Low112 Ų11290.7 Ų90.749%0.48743%0.425SS..Hα-helixtrans-59.9-39.9178.7-72.8-178.7176.6-177.70111.7M268 E269 K274 H275M268-K272 PolarHBondContact O-N 3.4Å; M268-K272 VanDerWaalsContact O-N 3.1Å; E269-K272 PolarHBondContact O-N 3.41Å; K272-K274 PolarHBondContact O-N 3.28Å; K272-H275 PolarHBondContact O-N 3.2Å
273N63.8Low60.3Low17 Ų1790.8 Ų90.89%0.09144%0.443CS..Hα-helixtrans-61.5-12.6176.5-70-19.5000114.3E269 Q271 K292E269-N273 PolarHBondContact O-N 2.96Å; Q271-N273 PolarHBondContact O-N 2.86Å; N273-K292 HydrophobicContact CB-CB 4.46Å
274K55.1Low58.1Low92 Ų9295.3 Ų95.340%0.448%0.482SS..Hα-helixtrans-78.7-31.5172.9-169.7179.2173.6-1780112.7Q271 K272 V294 N298Q271-K274 WeakPolarHBondContact O-CB 3.48Å; Q271-K274 PolarHBondContact O-N 3.1Å; K272-K274 PolarHBondContact O-N 3.28Å; K274-V294 HydrophobicContact CB-CG1 4.23Å; K274-V294 HydrophobicContact CG-CG1 4.38Å; K274-N298 PolarHBondContact NZ-O 3.38Å
275H48.8Very low56.2Low166 Ų166104 Ų10477%0.76952%0.517SS*.Hα-helixtrans-88.3-7.4-175.1-73.6-78.1000114K272 K277K272-H275 PolarHBondContact O-N 3.2Å; H275-K277 PolarHBondContact O-N 2.98Å
276E48.2Very low54.2Low113 Ų113113.6 Ų113.653%0.52855%0.551SS.*  trans-95.837.2-177.4-68.2-170.1158.100115.3K292E276-K292 IonicContact OE2-NZ 3.93Å; E276-K292 PolarHBondContact OE2-NZ 3.49Å
277K40.4Very low52.1Low156 Ų156120.3 Ų120.368%0.67858%0.582SS**  trans-135.1125.6170.3-74.7-175.6179.7178.30107.4H275H275-K277 PolarHBondContact O-N 2.98Å
278Q36.5Very low50Low158 Ų158131.2 Ų131.274%0.73862%0.62SS**  cis-145.2124.714.1-72.4161.7-30.900108.7
279H34.2Very low48Very low198 Ų198131.5 Ų131.592%0.91764%0.637SS**  trans-90.9104.5148.4-94.6-80.7000106.1E281H279-E281 PolarHBondContact O-N 3.42Å
280H36.1Very low46.2Very low147 Ų147134 Ų13468%0.68166%0.659SS**  trans-75.193.9169.5-118.1-87.7000107.3
281E35.2Very low44.5Very low186 Ų186139.4 Ų139.487%0.86969%0.694SS**  trans-94.7112.3154-87-168.6154.200107.8H279 G283H279-E281 PolarHBondContact O-N 3.42Å; E281-G283 PolarHBondContact O-N 3.03Å; E281-G283 VanDerWaalsContact O-N 3.08Å
282D39.9Very low43.6Very low160 Ų160142.3 Ų142.386%0.85671%0.706SS**  trans-64.6101.3172.4-94.7-25.5000109.7
283G36Very low43.5Very low67 Ų67140.3 Ų140.369%0.69170%0.703SS**  trans-179.999.4175.600000114.4E281E281-G283 PolarHBondContact O-N 3.03Å; E281-G283 VanDerWaalsContact O-N 3.08Å
284A36.4Very low44.3Very low99 Ų99142 Ų14282%0.81872%0.715SS**  trans71.6115.6163.300000118.5R286A284-R286 PolarHBondContact O-N 3.45Å
285K43.8Very low45.5Very low219 Ų219138.8 Ų138.895%0.95270%0.703SS**  trans-45.5103.9171.6-64.2172.8179.1174.60112.5
286R33.5Very low47.2Very low237 Ų237134.7 Ų134.789%0.89469%0.691SS**  trans-108.5128.4156.9-78.4-176.1165.7-177.6-3.1109.5A284 R288A284-R286 PolarHBondContact O-N 3.45Å; R286-R288 PolarHBondContact O-N 2.89Å
287K37.6Very low49Very low215 Ų215132.1 Ų132.194%0.93568%0.677SS**  trans-54.8126.8-177.5-77.2177.5174.1178.20110.1G289K287-G289 PolarHBondContact O-N 3.01Å
288R40.9Very low51Low251 Ų251125.6 Ų125.695%0.94765%0.65SS**  trans-52.8119.5178.3-70.3173.9171.3171.4-3.8110.3R286R286-R288 PolarHBondContact O-N 2.89Å
289G38.5Very low53.3Low60 Ų60124.7 Ų124.762%0.61964%0.643SS**  trans-70.1178.8166.300000112.3K287K287-G289 PolarHBondContact O-N 3.01Å
290P40Very low55.5Low117 Ų117118.3 Ų118.376%0.7663%0.625SS**SBendtrans-63.1152.2179.226.1-31.9000111.8K292P290-K292 PolarHBondContact O-N 2.65Å
291P45.8Very low57.7Low118 Ų118117.6 Ų117.677%0.76663%0.625SS**PPolyproline II helixtrans-68.3124.8-173.526.4-33000111.8T293P291-T293 PolarHBondContact O-N 3.49Å
292K56.7Low60Low101 Ų101109.3 Ų109.344%0.43959%0.589SS.*PPolyproline II helixtrans-49.2122.1166.8-66.7-173.9175.5-173.60109.3N273 E276 P290 V294N273-K292 HydrophobicContact CB-CB 4.46Å; E276-K292 IonicContact OE2-NZ 3.93Å; E276-K292 PolarHBondContact OE2-NZ 3.49Å; P290-K292 PolarHBondContact O-N 2.65Å; K292-V294 PolarHBondContact O-N 3.08Å; K292-V294 VanDerWaalsContact O-N 3.13Å
293T65.4Low62.2Low69 Ų69102.2 Ų102.242%0.42355%0.551SS.*  trans-77.1101.7-173.545.90000110.7P291P291-T293 PolarHBondContact O-N 3.49Å
294V80.4Confident64.4Low54 Ų54102.9 Ų102.933%0.32754%0.536SS..  trans-91.4142.8171.5179.80000108.7K274 K292 P296K274-V294 HydrophobicContact CB-CG1 4.23Å; K274-V294 HydrophobicContact CG-CG1 4.38Å; K292-V294 PolarHBondContact O-N 3.08Å; K292-V294 VanDerWaalsContact O-N 3.13Å; V294-P296 WeakPolarHBondContact O-CD 3.45Å
295C82.2Confident66.7Low23 Ų23103.7 Ų103.716%0.15552%0.523CS..  trans-60121.8177.9-177.80000111.1M270 Y297 N298M270-C295 HydrophobicContact CB-CB 4.17Å; M270-C295 HydrophobicContact SD-CB 4.22Å; C295-Y297 PolarHBondContact O-N 3.48Å; C295-Y297 VanDerWaalsContact O-N 3.11Å; C295-N298 HydrophobicContact CB-CB 4.14Å; C295-N298 PolarHBondContact O-N 3.1Å
296P83.6Confident68.8Low81 Ų8193.2 Ų93.253%0.52648%0.477SS..THydrogen-bonded Turntrans-60.8-24.4-177.9-25.434.4000114.4V294V294-P296 WeakPolarHBondContact O-CD 3.45Å
297Y85.1Confident71.4Confident58 Ų5883 Ų8323%0.22744%0.438CS..THydrogen-bonded Turntrans-93.14.2-174-62.1-88.7000113.5V250 N251 C295 A329 C330V250-Y297 HydrophobicContact CB-CE1 4.48Å; V250-Y297 HydrophobicContact CG2-CD1 3.5Å; V250-Y297 HydrophobicContact CG2-CD2 4.01Å; V250-Y297 HydrophobicContact CG2-CE1 3.74Å; V250-Y297 HydrophobicContact CG2-CE2 4.21Å; V250-Y297 HydrophobicContact CG2-CG 3.66Å; N251-Y297 HydrophobicContact CB-CD2 4.32Å; N251-Y297 HydrophobicContact CB-CE2 4.37Å; C295-Y297 PolarHBondContact O-N 3.48Å; C295-Y297 VanDerWaalsContact O-N 3.11Å; Y297-A329 CarbonylContact O-C 3.51Å; Y297-C330 WeakPolarHBondContact O-CB 3.28Å; Y297-C330 PolarHBondContact O-N 2.77Å
298N83.3Confident73.7Confident19 Ų1974.7 Ų74.710%0.10241%0.405CS..  trans-101.835.6-175.3-165.925.5000113.6K274 C295K274-N298 PolarHBondContact NZ-O 3.38Å; C295-N298 HydrophobicContact CB-CB 4.14Å; C295-N298 PolarHBondContact O-N 3.1Å
299K84.4Confident75.9Confident140 Ų14063.8 Ų63.861%0.60936%0.364SS*.  trans-85.3127.2178.9-63.5-178.4-177.8-1780110.4L301 A302 L303K299-L301 PolarHBondContact O-N 3.31Å; K299-A302 HydrophobicContact CB-CB 4.15Å; K299-A302 PolarHBondContact O-N 3.31Å; K299-L303 WeakPolarHBondContact O-CG 3.42Å; K299-L303 PolarHBondContact O-N 3.35Å
300A81.7Confident78.2Confident64 Ų6461 Ų6153%0.52934%0.335SS..Hα-helixtrans-56.6-50.2-172.200000113.4A302 L303 Q304A300-A302 VanDerWaalsContact C-N 3.33Å; A300-A302 PolarHBondContact O-N 3.48Å; A300-L303 WeakPolarHBondContact O-CB 3.05Å; A300-L303 PolarHBondContact O-N 3.02Å; A300-Q304 PolarHBondContact O-N 3.04Å
301L81.2Confident80.4Confident131 Ų13155.7 Ų55.769%0.68630%0.3SS*.Hα-helixtrans-58.9-41.4177.9-72.1167.4000112.9K299 Q304 Q305K299-L301 PolarHBondContact O-N 3.31Å; L301-Q304 PolarHBondContact O-N 3.17Å; L301-Q305 WeakPolarHBondContact O-CG 3.3Å; L301-Q305 PolarHBondContact O-N 2.77Å
302A83.4Confident82.2Confident12 Ų1250.9 Ų50.910%0.09927%0.272CS..Hα-helixtrans-69.1-35.8179.100000111.8K299 A300 M306 A329K299-A302 HydrophobicContact CB-CB 4.15Å; K299-A302 PolarHBondContact O-N 3.31Å; A300-A302 VanDerWaalsContact C-N 3.33Å; A300-A302 PolarHBondContact O-N 3.48Å; A302-M306 WeakPolarHBondContact O-CB 3.13Å; A302-M306 PolarHBondContact O-N 2.94Å; A302-A329 HydrophobicContact CB-CB 3.98Å; A302-A329 VanDerWaalsContact O-CB 3.29Å; A302-A329 WeakPolarHBondContact O-CB 3.38Å
303L86.1Confident83.6Confident11 Ų1147.6 Ų47.66%0.05826%0.261CS..Hα-helixtrans-65-41.8174.1-65.8172.9000111.6K299 A300 M306 R307 C330 S334 L337K299-L303 WeakPolarHBondContact O-CG 3.42Å; K299-L303 PolarHBondContact O-N 3.35Å; A300-L303 WeakPolarHBondContact O-CB 3.05Å; A300-L303 PolarHBondContact O-N 3.02Å; L303-M306 PolarHBondContact O-N 3.46Å; L303-R307 VanDerWaalsContact O-CB 3.31Å; L303-R307 WeakPolarHBondContact O-CB 3.42Å; L303-R307 PolarHBondContact O-N 3.18Å; L303-C330 HydrophobicContact CD2-CB 3.94Å; L303-S334 WeakPolarHBondContact CD2-OG 3.4Å; L303-L337 HydrophobicContact CB-CD1 4.14Å
304Q83.1Confident84.7Confident82 Ų8244.9 Ų44.938%0.38324%0.244SC..Hα-helixtrans-65.6-43.4176.6-73.2179.5-17.300111.7A300 L301 M306 R307 D308A300-Q304 PolarHBondContact O-N 3.04Å; L301-Q304 PolarHBondContact O-N 3.17Å; Q304-M306 PolarHBondContact O-N 3.09Å; Q304-R307 WeakPolarHBondContact O-CB 3.4Å; Q304-R307 PolarHBondContact O-N 3.25Å; Q304-D308 PolarHBondContact O-N 2.99Å
305Q84.8Confident85.1Confident115 Ų11543.1 Ų43.154%0.53723%0.232SC..Hα-helixtrans-58.8-49.2174.1-73.9174.9-7.200111.4L301 R307 D308 E309L301-Q305 WeakPolarHBondContact O-CG 3.3Å; L301-Q305 PolarHBondContact O-N 2.77Å; Q305-R307 VanDerWaalsContact C-N 3.32Å; Q305-R307 PolarHBondContact O-N 3.36Å; Q305-D308 PolarHBondContact O-N 3.2Å; Q305-E309 WeakPolarHBondContact O-CG 3.49Å; Q305-E309 PolarHBondContact O-N 3.48Å; Q305-E309 VanDerWaalsContact O-N 3.09Å
306M86.8Confident85.5Confident0 Ų042.4 Ų42.40%023%0.227CC..Hα-helixtrans-62.4-40.1178.1-173.4178.9-170.700111.9A302 L303 Q304 D308 E309 V310 L320 L323 A329 P331 S334A302-M306 WeakPolarHBondContact O-CB 3.13Å; A302-M306 PolarHBondContact O-N 2.94Å; L303-M306 PolarHBondContact O-N 3.46Å; Q304-M306 PolarHBondContact O-N 3.09Å; M306-D308 VanDerWaalsContact C-N 3.32Å; M306-D308 PolarHBondContact O-N 2.82Å; M306-E309 PolarHBondContact O-N 3.48Å; M306-V310 HydrophobicContact CG-CG2 4.38Å; M306-V310 VanDerWaalsContact O-CG2 3.25Å; M306-V310 WeakPolarHBondContact O-CG2 3.27Å; M306-V310 PolarHBondContact O-N 3.47Å; M306-L320 HydrophobicContact CE-CD2 4.4Å; M306-L320 WeakPolarHBondContact CE-O 3.34Å; M306-L323 HydrophobicContact CE-CB 4.09Å; M306-L323 HydrophobicContact CE-CD2 3.9Å; M306-L323 HydrophobicContact CE-CG 3.91Å; M306-L323 HydrophobicContact CG-CD2 3.97Å; M306-L323 HydrophobicContact CG-CG 4.26Å; M306-A329 HydrophobicContact CB-CB 3.76Å; M306-A329 HydrophobicContact CG-CB 4.32Å; M306-A329 HydrophobicContact SD-CB 3.78Å; M306-P331 HydrophobicContact CE-CB 3.75Å; M306-P331 HydrophobicContact CE-CG 3.88Å; M306-P331 HydrophobicContact SD-CB 4.44Å; M306-P331 HydrophobicContact SD-CG 4.46Å; M306-S334 PolarHBondContact SD-OG 3.3Å; M306-S334 VanDerWaalsContact SD-OG 3.39Å
307R88.3Confident85.7Confident21 Ų2139.8 Ų39.88%0.07921%0.208CC..Hα-helixtrans-56-47.3175.3-179.7-158.966.4172.9-1.6111.2E205 L303 Q304 Q305 E309 V310 L311 L337 A338E205-R307 IonicContact OE1-NH1 2.64Å; E205-R307 PolarHBondContact OE1-NH1 2.91Å; E205-R307 IonicContact OE2-NH1 3.24Å; L303-R307 VanDerWaalsContact O-CB 3.31Å; L303-R307 WeakPolarHBondContact O-CB 3.42Å; L303-R307 PolarHBondContact O-N 3.18Å; Q304-R307 WeakPolarHBondContact O-CB 3.4Å; Q304-R307 PolarHBondContact O-N 3.25Å; Q305-R307 VanDerWaalsContact C-N 3.32Å; Q305-R307 PolarHBondContact O-N 3.36Å; R307-E309 VanDerWaalsContact C-N 3.34Å; R307-E309 PolarHBondContact O-N 3.35Å; R307-V310 PolarHBondContact O-N 3.46Å; R307-L311 HydrophobicContact CG-CD1 4.16Å; R307-L311 WeakPolarHBondContact O-CG 3.26Å; R307-L311 PolarHBondContact O-N 3.34Å; R307-L337 HydrophobicContact CG-CB 4.26Å; R307-A338 HydrophobicContact CG-CB 3.84Å
308D86.8Confident85.8Confident42 Ų4243.3 Ų43.323%0.22523%0.227CC..Hα-helixtrans-65.9-38.4-178.8-65.1-5.8000111I132 Q304 Q305 M306 V310 L311 G312I132-D308 HydrophobicContact CD1-CB 4.07Å; I132-D308 HydrophobicContact CG1-CB 4.13Å; I132-D308 HydrophobicContact CG2-CB 4.19Å; I132-D308 WeakPolarHBondContact CG2-O 3.19Å; Q304-D308 PolarHBondContact O-N 2.99Å; Q305-D308 PolarHBondContact O-N 3.2Å; M306-D308 VanDerWaalsContact C-N 3.32Å; M306-D308 PolarHBondContact O-N 2.82Å; D308-V310 PolarHBondContact O-N 2.89Å; D308-L311 PolarHBondContact O-N 3.02Å; D308-G312 PolarHBondContact O-N 3.03Å; D308-G312 VanDerWaalsContact O-N 3.11Å
309E85.9Confident86.1Confident21 Ų2145.5 Ų45.510%0.09824%0.236CC..Hα-helixtrans-64.5-38174-63.2-165.6-150.200113.1L136 K139 Q305 M306 R307 L311 G312 T313 L323L136-E309 HydrophobicContact CD2-CB 4.24Å; L136-E309 HydrophobicContact CD2-CG 3.88Å; K139-E309 IonicContact NZ-OE1 3.22Å; K139-E309 PolarHBondContact NZ-OE1 3.03Å; K139-E309 IonicContact NZ-OE2 2.79Å; Q305-E309 WeakPolarHBondContact O-CG 3.49Å; Q305-E309 PolarHBondContact O-N 3.48Å; Q305-E309 VanDerWaalsContact O-N 3.09Å; M306-E309 PolarHBondContact O-N 3.48Å; R307-E309 VanDerWaalsContact C-N 3.34Å; R307-E309 PolarHBondContact O-N 3.35Å; E309-L311 VanDerWaalsContact C-N 3.35Å; E309-G312 PolarHBondContact O-N 3.11Å; E309-T313 PolarHBondContact O-N 3.44Å; E309-T313 VanDerWaalsContact O-N 3.14Å; E309-T313 PolarHBondContact O-OG1 2.96Å; E309-L323 HydrophobicContact CB-CD2 4.04Å; E309-L323 WeakPolarHBondContact OE2-CD1 3.4Å
310V87.5Confident86.4Confident2 Ų238.9 Ų38.91%0.01221%0.208CC..Hα-helixtrans-67-35.9175.7170.80000111.5V240 M306 R307 D308 T313 L320 L323 A338V240-V310 HydrophobicContact CG2-CG1 4Å; M306-V310 HydrophobicContact CG-CG2 4.38Å; M306-V310 VanDerWaalsContact O-CG2 3.25Å; M306-V310 WeakPolarHBondContact O-CG2 3.27Å; M306-V310 PolarHBondContact O-N 3.47Å; R307-V310 PolarHBondContact O-N 3.46Å; D308-V310 PolarHBondContact O-N 2.89Å; V310-T313 VanDerWaalsContact O-O 3.04Å; V310-L320 HydrophobicContact CG1-CD2 4.38Å; V310-L320 HydrophobicContact CG2-CD2 3.45Å; V310-L320 VanDerWaalsContact CG2-CD2 3.45Å; V310-L323 HydrophobicContact CG2-CD2 4.05Å; V310-A338 HydrophobicContact CG1-CB 4.19Å
311L86.4Confident86.9Confident5 Ų537.9 Ų37.93%0.02619%0.193CC..Hα-helixtrans-74.2-27.7178.4-71.4170000113.1M129 R307 D308 E309 A338 P341 A342M129-L311 HydrophobicContact CE-CB 4.23Å; M129-L311 HydrophobicContact SD-CB 4.47Å; R307-L311 HydrophobicContact CG-CD1 4.16Å; R307-L311 WeakPolarHBondContact O-CG 3.26Å; R307-L311 PolarHBondContact O-N 3.34Å; D308-L311 PolarHBondContact O-N 3.02Å; E309-L311 VanDerWaalsContact C-N 3.35Å; L311-A338 HydrophobicContact CD2-CB 4.11Å; L311-A338 HydrophobicContact CG-CB 4.18Å; L311-P341 HydrophobicContact CD1-CB 4.25Å; L311-P341 HydrophobicContact CD1-CG 3.59Å; L311-P341 HydrophobicContact CD2-CB 4.33Å; L311-P341 HydrophobicContact CD2-CG 3.85Å; L311-P341 HydrophobicContact CG-CG 4.36Å; L311-A342 HydrophobicContact CD2-CB 4.43Å
312G83.3Confident87.3Confident17 Ų1737.7 Ų37.718%0.17519%0.187CC..Hα-helixtrans-90.3-18.5-179.700000115.2L136 D308 E309L136-G312 VanDerWaalsContact CD1-CA 3.5Å; D308-G312 PolarHBondContact O-N 3.03Å; D308-G312 VanDerWaalsContact O-N 3.11Å; E309-G312 PolarHBondContact O-N 3.11Å
313T85.9Confident87.6Confident33 Ų3337.6 Ų37.620%0.20219%0.185CC..SBendtrans-132.4133.5178.657.60000112.2L136 Y140 E309 V310 Q315L136-T313 HydrophobicContact CD1-CG2 4.36Å; Y140-T313 HydrophobicContact CE2-CG2 4.13Å; E309-T313 PolarHBondContact O-N 3.44Å; E309-T313 VanDerWaalsContact O-N 3.14Å; E309-T313 PolarHBondContact O-OG1 2.96Å; V310-T313 VanDerWaalsContact O-O 3.04Å; T313-Q315 PolarHBondContact O-N 2.88Å; T313-Q315 PolarHBondContact OG1-NE2 2.82Å
314V88.8Confident87.7Confident12 Ų1237 Ų377%0.07318%0.182CC..  trans-70.8114.4175.7176.80000109.4V225 V228 Q229 G234 I237 L239V225-V314 HydrophobicContact CG1-CG1 3.83Å; V228-V314 HydrophobicContact CG1-CG1 4.28Å; V228-V314 HydrophobicContact CG1-CG2 4.5Å; Q229-V314 HydrophobicContact CG-CB 4.08Å; Q229-V314 HydrophobicContact CG-CG1 3.73Å; Q229-V314 PolarHBondContact NE2-O 3.28Å; G234-V314 VanDerWaalsContact O-CG2 3.29Å; G234-V314 WeakPolarHBondContact O-CG2 3.45Å; I237-V314 HydrophobicContact CG2-CG2 3.99Å; L239-V314 HydrophobicContact CB-CB 4.45Å; L239-V314 HydrophobicContact CB-CG1 4.08Å; L239-V314 HydrophobicContact CB-CG2 3.97Å; L239-V314 HydrophobicContact CD1-CG1 3.96Å; L239-V314 HydrophobicContact CD2-CG1 4.22Å; L239-V314 HydrophobicContact CG-CG1 4.31Å
315Q87.8Confident88Confident16 Ų1638.4 Ų38.48%0.07519%0.187CC..  trans-126.3141.3-177.2-64.1-176.17.200113.2T241 T313 Q319 L320 L323T241-Q315 PolarHBondContact OG1-O 3.29Å; T313-Q315 PolarHBondContact O-N 2.88Å; T313-Q315 PolarHBondContact OG1-NE2 2.82Å; Q315-Q319 HydrophobicContact CB-CB 4.02Å; Q315-Q319 HydrophobicContact CG-CB 4.32Å; Q315-L320 HydrophobicContact CB-CD2 4.18Å; Q315-L320 HydrophobicContact CB-CG 4.1Å; Q315-L323 VanDerWaalsContact OE1-CD2 3.27Å
316D90.5Very high88.2Confident9 Ų938.9 Ų38.95%0.04819%0.189CC..  trans-85.2178.6169.880.7-4.5000112.3V225 H226 E318 Q319 L320V225-D316 HydrophobicContact CB-CB 4.32Å; V225-D316 HydrophobicContact CG1-CB 3.96Å; H226-D316 IonicContact CE1-OD2 2.82Å; H226-D316 PolarHBondContact CE1-OD2 3.4Å; H226-D316 IonicContact NE2-OD2 2.68Å; D316-E318 VanDerWaalsContact C-N 3.32Å; D316-E318 PolarHBondContact O-N 3.44Å; D316-E318 PolarHBondContact OD1-N 2.9Å; D316-E318 VanDerWaalsContact OD1-N 3.11Å; D316-Q319 PolarHBondContact O-N 3.32Å; D316-Q319 WeakPolarHBondContact OD1-CB 3.26Å; D316-Q319 WeakPolarHBondContact OD1-CG 3.41Å; D316-Q319 PolarHBondContact OD1-N 3.04Å; D316-L320 WeakPolarHBondContact O-CB 3.47Å; D316-L320 WeakPolarHBondContact O-CG 3.32Å; D316-L320 PolarHBondContact O-N 2.98Å
317I88Confident88.2Confident25 Ų2540 Ų4013%0.12820%0.196CC..Hα-helixtrans-61.1-39.5-178-64.5178.6000111.9H218 T241 N247 L248 L320 L321H218-I317 WeakPolarHBondContact ND1-CD1 3.32Å; T241-I317 HydrophobicContact CG2-CD1 4.23Å; T241-I317 HydrophobicContact CG2-CG1 3.64Å; N247-I317 HydrophobicContact CB-CG2 4.24Å; L248-I317 HydrophobicContact CD2-CG2 4Å; I317-L320 PolarHBondContact O-N 3.25Å; I317-L321 WeakPolarHBondContact O-CG 3.24Å; I317-L321 PolarHBondContact O-N 2.88Å
318E88.6Confident88.2Confident133 Ų13346.3 Ų46.362%0.62122%0.224SC*.Hα-helixtrans-72.3-38.9-177.3-63.8-172.9-17700111.8D316 L321 K322D316-E318 VanDerWaalsContact C-N 3.32Å; D316-E318 PolarHBondContact O-N 3.44Å; D316-E318 PolarHBondContact OD1-N 2.9Å; D316-E318 VanDerWaalsContact OD1-N 3.11Å; E318-L321 PolarHBondContact O-N 3Å; E318-K322 WeakPolarHBondContact O-CG 3.26Å; E318-K322 PolarHBondContact O-N 3.13Å; E318-K322 VanDerWaalsContact O-N 3.12Å
319Q89.5Confident88.3Confident64 Ų6444.3 Ų44.330%0.29921%0.213SC..Hα-helixtrans-63.9-42.4173-69.9167.4-14.400110.7Q229 Q315 D316 L321 K322 L323Q229-Q319 VanDerWaalsContact NE2-OE1 3.12Å; Q315-Q319 HydrophobicContact CB-CB 4.02Å; Q315-Q319 HydrophobicContact CG-CB 4.32Å; D316-Q319 PolarHBondContact O-N 3.32Å; D316-Q319 WeakPolarHBondContact OD1-CB 3.26Å; D316-Q319 WeakPolarHBondContact OD1-CG 3.41Å; D316-Q319 PolarHBondContact OD1-N 3.04Å; Q319-L321 VanDerWaalsContact C-N 3.33Å; Q319-L321 PolarHBondContact O-N 3.19Å; Q319-K322 WeakPolarHBondContact O-CB 3.38Å; Q319-K322 PolarHBondContact O-N 2.98Å; Q319-L323 WeakPolarHBondContact O-CB 3.4Å; Q319-L323 PolarHBondContact O-N 3.5Å
320L90.9Very high88.6Confident1 Ų143.9 Ų43.91%0.00521%0.212CC..Hα-helixtrans-61.2-38.7174.7-73.9168.8000112.7L248 M306 V310 Q315 D316 I317 L323 G324 T335L248-L320 HydrophobicContact CD2-CB 4.3Å; L248-L320 HydrophobicContact CD2-CD1 4.25Å; M306-L320 HydrophobicContact CE-CD2 4.4Å; M306-L320 WeakPolarHBondContact CE-O 3.34Å; V310-L320 HydrophobicContact CG1-CD2 4.38Å; V310-L320 HydrophobicContact CG2-CD2 3.45Å; V310-L320 VanDerWaalsContact CG2-CD2 3.45Å; Q315-L320 HydrophobicContact CB-CD2 4.18Å; Q315-L320 HydrophobicContact CB-CG 4.1Å; D316-L320 WeakPolarHBondContact O-CB 3.47Å; D316-L320 WeakPolarHBondContact O-CG 3.32Å; D316-L320 PolarHBondContact O-N 2.98Å; I317-L320 PolarHBondContact O-N 3.25Å; L320-L323 PolarHBondContact O-N 2.94Å; L320-G324 PolarHBondContact O-N 2.82Å; L320-T335 HydrophobicContact CD1-CG2 3.83Å; L320-T335 HydrophobicContact CD2-CG2 4.05Å
321L90.9Very high88.9Confident44 Ų4443.8 Ų43.823%0.2321%0.212CC..Hα-helixtrans-65.6-41175.2-74.8175.3000112.1N247 V250 I317 E318 Q319 G324 K325 P331N247-L321 WeakPolarHBondContact O-CD1 3.43Å; V250-L321 HydrophobicContact CG1-CD2 3.87Å; I317-L321 WeakPolarHBondContact O-CG 3.24Å; I317-L321 PolarHBondContact O-N 2.88Å; E318-L321 PolarHBondContact O-N 3Å; Q319-L321 VanDerWaalsContact C-N 3.33Å; Q319-L321 PolarHBondContact O-N 3.19Å; L321-G324 PolarHBondContact O-N 3.05Å; L321-K325 WeakPolarHBondContact O-CG 3.29Å; L321-K325 PolarHBondContact O-N 2.97Å; L321-P331 HydrophobicContact CD2-CG 4.46Å
322K90.6Very high89.1Confident126 Ų12644.4 Ų44.455%0.54821%0.214SC..Hα-helixtrans-63.1-47174.7-69.4171.4-174.1172.40110.2E318 Q319 G324 K325 E326E318-K322 WeakPolarHBondContact O-CG 3.26Å; E318-K322 PolarHBondContact O-N 3.13Å; E318-K322 VanDerWaalsContact O-N 3.12Å; Q319-K322 WeakPolarHBondContact O-CB 3.38Å; Q319-K322 PolarHBondContact O-N 2.98Å; K322-G324 PolarHBondContact O-N 3.08Å; K322-K325 WeakPolarHBondContact O-CB 3.48Å; K322-K325 PolarHBondContact O-N 3.45Å; K322-K325 VanDerWaalsContact O-N 3.16Å; K322-E326 PolarHBondContact O-N 3.22Å
323L88.6Confident89.4Confident10 Ų1045.6 Ų45.65%0.05221%0.213CC..Hα-helixtrans-58.8-44.7177179.463.3000112.2M306 E309 V310 Q315 Q319 L320 K325 E326 T327M306-L323 HydrophobicContact CE-CB 4.09Å; M306-L323 HydrophobicContact CE-CD2 3.9Å; M306-L323 HydrophobicContact CE-CG 3.91Å; M306-L323 HydrophobicContact CG-CD2 3.97Å; M306-L323 HydrophobicContact CG-CG 4.26Å; E309-L323 HydrophobicContact CB-CD2 4.04Å; E309-L323 WeakPolarHBondContact OE2-CD1 3.4Å; V310-L323 HydrophobicContact CG2-CD2 4.05Å; Q315-L323 VanDerWaalsContact OE1-CD2 3.27Å; Q319-L323 WeakPolarHBondContact O-CB 3.4Å; Q319-L323 PolarHBondContact O-N 3.5Å; L320-L323 PolarHBondContact O-N 2.94Å; L323-K325 VanDerWaalsContact C-N 3.27Å; L323-K325 PolarHBondContact O-N 3.06Å; L323-E326 PolarHBondContact O-N 3.47Å; L323-T327 HydrophobicContact CD1-CG2 3.7Å; L323-T327 HydrophobicContact CG-CG2 4.27Å; L323-T327 WeakPolarHBondContact O-CB 3.35Å; L323-T327 PolarHBondContact O-N 2.88Å; L323-T327 PolarHBondContact O-OG1 2.82Å
324G89.2Confident89.6Confident0 Ų044 Ų440%020%0.204CC..Hα-helixtrans-62.4-3317800000113.5L320 L321 K322 K328 A329L320-G324 PolarHBondContact O-N 2.82Å; L321-G324 PolarHBondContact O-N 3.05Å; K322-G324 PolarHBondContact O-N 3.08Å; G324-K328 VanDerWaalsContact O-CA 3.29Å; G324-K328 WeakPolarHBondContact O-CA 3.46Å; G324-K328 PolarHBondContact O-N 3.39Å; G324-A329 WeakPolarHBondContact CA-O 3.39Å; G324-A329 PolarHBondContact O-N 2.84Å; G324-A329 VanDerWaalsContact O-N 3.12Å
325K89.7Confident89.8Confident111 Ų11143.5 Ų43.548%0.48320%0.2SC..Hα-helixtrans-70.2-42.4173.2-70.6177.4-179.4-174.70111.9V250 L321 K322 L323V250-K325 HydrophobicContact CB-CG 4.43Å; V250-K325 HydrophobicContact CG1-CG 4.21Å; L321-K325 WeakPolarHBondContact O-CG 3.29Å; L321-K325 PolarHBondContact O-N 2.97Å; K322-K325 WeakPolarHBondContact O-CB 3.48Å; K322-K325 PolarHBondContact O-N 3.45Å; K322-K325 VanDerWaalsContact O-N 3.16Å; L323-K325 VanDerWaalsContact C-N 3.27Å; L323-K325 PolarHBondContact O-N 3.06Å
326E88.9Confident89.9Confident125 Ų12545 Ų4558%0.58421%0.206SC*.Hα-helixtrans-66.1-46.7178.6-70.6-177.2-156.500112.2K143 K322 L323 K328K143-E326 IonicContact NZ-OE2 3.83Å; K143-E326 PolarHBondContact NZ-OE2 3.07Å; K322-E326 PolarHBondContact O-N 3.22Å; L323-E326 PolarHBondContact O-N 3.47Å; E326-K328 VanDerWaalsContact C-N 3.32Å
327T85.7Confident89.8Confident24 Ų2448.4 Ų48.415%0.14722%0.223CC..Hα-helixtrans-82-8.8-178.5550000113.8L323 A329L323-T327 HydrophobicContact CD1-CG2 3.7Å; L323-T327 HydrophobicContact CG-CG2 4.27Å; L323-T327 WeakPolarHBondContact O-CB 3.35Å; L323-T327 PolarHBondContact O-N 2.88Å; L323-T327 PolarHBondContact O-OG1 2.82Å; T327-A329 PolarHBondContact O-N 2.77Å
328K88.1Confident89.8Confident152 Ų15247.2 Ų47.266%0.66122%0.217SC*.THydrogen-bonded Turntrans52.435.7-171.2-58.2-177.9179.8178.30112.7G324 E326G324-K328 VanDerWaalsContact O-CA 3.29Å; G324-K328 WeakPolarHBondContact O-CA 3.46Å; G324-K328 PolarHBondContact O-N 3.39Å; E326-K328 VanDerWaalsContact C-N 3.32Å
329A90.3Very high89.9Confident0 Ų040.9 Ų40.90%019%0.187CC..  trans-113.5157.1178.300000111.3Y297 A302 M306 G324 T327 P331Y297-A329 CarbonylContact O-C 3.51Å; A302-A329 HydrophobicContact CB-CB 3.98Å; A302-A329 VanDerWaalsContact O-CB 3.29Å; A302-A329 WeakPolarHBondContact O-CB 3.38Å; M306-A329 HydrophobicContact CB-CB 3.76Å; M306-A329 HydrophobicContact CG-CB 4.32Å; M306-A329 HydrophobicContact SD-CB 3.78Å; G324-A329 WeakPolarHBondContact CA-O 3.39Å; G324-A329 PolarHBondContact O-N 2.84Å; G324-A329 VanDerWaalsContact O-N 3.12Å; T327-A329 PolarHBondContact O-N 2.77Å; A329-P331 VanDerWaalsContact O-CD 3.28Å; A329-P331 WeakPolarHBondContact O-CD 3.33Å
330C91.6Very high89.9Confident13 Ų1339.1 Ų39.19%0.08818%0.182CC..  trans-83.1115.3178.1-175.80000110.3Y297 L303 Y332 Y333 S334Y297-C330 WeakPolarHBondContact O-CB 3.28Å; Y297-C330 PolarHBondContact O-N 2.77Å; L303-C330 HydrophobicContact CD2-CB 3.94Å; C330-Y332 VanDerWaalsContact C-N 3.32Å; C330-Y332 PolarHBondContact O-N 2.8Å; C330-Y333 HydrophobicContact CB-CD2 4.33Å; C330-Y333 PolarHBondContact O-N 2.88Å; C330-S334 WeakPolarHBondContact O-CB 3.45Å; C330-S334 PolarHBondContact O-N 3.3Å; C330-S334 PolarHBondContact O-OG 2.96Å
331P92.8Very high89.6Confident0 Ų039.7 Ų39.70%019%0.185CC..Hα-helixtrans-59.6-41.9179.2-2130.5000112.5L248 V250 M306 L321 A329 Y333 S334 T335L248-P331 HydrophobicContact CB-CB 4.33Å; L248-P331 HydrophobicContact CD2-CB 4.14Å; L248-P331 WeakPolarHBondContact O-CD 3.49Å; L248-P331 WeakPolarHBondContact O-CG 3.38Å; V250-P331 HydrophobicContact CG1-CG 3.68Å; M306-P331 HydrophobicContact CE-CB 3.75Å; M306-P331 HydrophobicContact CE-CG 3.88Å; M306-P331 HydrophobicContact SD-CB 4.44Å; M306-P331 HydrophobicContact SD-CG 4.46Å; L321-P331 HydrophobicContact CD2-CG 4.46Å; A329-P331 VanDerWaalsContact O-CD 3.28Å; A329-P331 WeakPolarHBondContact O-CD 3.33Å; P331-Y333 PolarHBondContact O-N 2.85Å; P331-S334 PolarHBondContact O-N 3.18Å; P331-T335 WeakPolarHBondContact O-CG2 3.4Å; P331-T335 PolarHBondContact O-N 3.49Å; P331-T335 PolarHBondContact O-OG1 3.03Å
332Y91.9Very high89.6Confident17 Ų1737.6 Ų37.67%0.06718%0.175CC..Hα-helixtrans-57.4-44.1-176.7177.1-96.2000114R245 L248 C330 T335 R336R245-Y332 HydrophobicContact CG-CD1 4.21Å; R245-Y332 HydrophobicContact CG-CD2 3.79Å; R245-Y332 HydrophobicContact CG-CE1 3.98Å; R245-Y332 HydrophobicContact CG-CE2 3.52Å; R245-Y332 HydrophobicContact CG-CG 4.11Å; R245-Y332 PolarHBondContact NH2-OH 3.49Å; L248-Y332 HydrophobicContact CD1-CD2 4.45Å; C330-Y332 VanDerWaalsContact C-N 3.32Å; C330-Y332 PolarHBondContact O-N 2.8Å; Y332-T335 PolarHBondContact O-OG1 3.35Å; Y332-R336 VanDerWaalsContact CZ-NE 3.31Å; Y332-R336 WeakPolarHBondContact O-CD 3.38Å; Y332-R336 WeakPolarHBondContact O-CG 3.49Å; Y332-R336 PolarHBondContact OH-NH1 2.94Å; Y332-R336 PolarHBondContact OH-NH2 3.23Å
333Y89.8Confident89.7Confident42 Ų4233.1 Ų33.117%0.16516%0.156CC..Hα-helixtrans-81-37.3178.1-71.4-73.9000111.5R245 Q271 C330 P331 T335 R336 L337R245-Y333 PolarHBondContact NH2-OH 3.31Å; Q271-Y333 VanDerWaalsContact CD-CZ 3.42Å; Q271-Y333 VanDerWaalsContact NE2-CE1 3.31Å; Q271-Y333 PolarHBondContact NE2-OH 2.65Å; Q271-Y333 PolarHBondContact OE1-OH 3.38Å; C330-Y333 HydrophobicContact CB-CD2 4.33Å; C330-Y333 PolarHBondContact O-N 2.88Å; P331-Y333 PolarHBondContact O-N 2.85Å; Y333-T335 PolarHBondContact O-N 2.81Å; Y333-R336 PolarHBondContact O-N 2.98Å; Y333-R336 VanDerWaalsContact O-N 3.14Å; Y333-L337 WeakPolarHBondContact O-CG 3.43Å; Y333-L337 PolarHBondContact O-N 2.95Å; Y333-L337 VanDerWaalsContact O-N 3.07Å
334S90.3Very high89.9Confident0 Ų032.9 Ų32.90%015%0.154CC..Hα-helixtrans-61.6-43.3178.7-51.90000112.2L303 M306 C330 P331 R336 L337 A338L303-S334 WeakPolarHBondContact CD2-OG 3.4Å; M306-S334 PolarHBondContact SD-OG 3.3Å; M306-S334 VanDerWaalsContact SD-OG 3.39Å; C330-S334 WeakPolarHBondContact O-CB 3.45Å; C330-S334 PolarHBondContact O-N 3.3Å; C330-S334 PolarHBondContact O-OG 2.96Å; P331-S334 PolarHBondContact O-N 3.18Å; S334-R336 VanDerWaalsContact C-N 3.27Å; S334-R336 PolarHBondContact O-N 3.1Å; S334-L337 PolarHBondContact O-N 3.38Å; S334-A338 PolarHBondContact O-N 3.42Å; S334-A338 VanDerWaalsContact O-N 3.08Å
335T91.2Very high90.2Very high1 Ų132.9 Ų32.91%0.00615%0.154CC..Hα-helixtrans-63.7-32.5176.553.60000112.4V240 L320 P331 Y332 Y333 A338 V339V240-T335 WeakPolarHBondContact CG1-O 3.38Å; L320-T335 HydrophobicContact CD1-CG2 3.83Å; L320-T335 HydrophobicContact CD2-CG2 4.05Å; P331-T335 WeakPolarHBondContact O-CG2 3.4Å; P331-T335 PolarHBondContact O-N 3.49Å; P331-T335 PolarHBondContact O-OG1 3.03Å; Y332-T335 PolarHBondContact O-OG1 3.35Å; Y333-T335 PolarHBondContact O-N 2.81Å; T335-A338 PolarHBondContact O-N 3.18Å; T335-V339 WeakPolarHBondContact O-CG2 3.42Å; T335-V339 PolarHBondContact O-N 3.49Å
336R90.4Very high90.4Very high49 Ų4927.6 Ų27.619%0.18513%0.131CC..Hα-helixtrans-72.2-37.9178.2-73172.5177.9-117.7-13.8112Y332 Y333 S334 A338 V339 A360Y332-R336 VanDerWaalsContact CZ-NE 3.31Å; Y332-R336 WeakPolarHBondContact O-CD 3.38Å; Y332-R336 WeakPolarHBondContact O-CG 3.49Å; Y332-R336 PolarHBondContact OH-NH1 2.94Å; Y332-R336 PolarHBondContact OH-NH2 3.23Å; Y333-R336 PolarHBondContact O-N 2.98Å; Y333-R336 VanDerWaalsContact O-N 3.14Å; S334-R336 VanDerWaalsContact C-N 3.27Å; S334-R336 PolarHBondContact O-N 3.1Å; R336-A338 PolarHBondContact O-N 2.71Å; R336-V339 WeakPolarHBondContact O-CB 3.24Å; R336-V339 PolarHBondContact O-N 3.29Å; R336-A360 PolarHBondContact NH1-O 2.55Å
337L88Confident90.7Very high79 Ų7921.6 Ų21.641%0.41410%0.103SC..Hα-helixtrans-65.8-26.1171.5-65.3172.9000112.2L303 R307 Y333 S334 P340L303-L337 HydrophobicContact CB-CD1 4.14Å; R307-L337 HydrophobicContact CG-CB 4.26Å; Y333-L337 WeakPolarHBondContact O-CG 3.43Å; Y333-L337 PolarHBondContact O-N 2.95Å; Y333-L337 VanDerWaalsContact O-N 3.07Å; S334-L337 PolarHBondContact O-N 3.38Å; L337-P340 WeakPolarHBondContact O-CD 3.28Å
338A89.6Confident90.9Very high0 Ų020.7 Ų20.70%010%0.098CC..THydrogen-bonded Turntrans-81.2-10.9176.100000113.7V240 R307 V310 L311 S334 T335 R336 P341 A342V240-A338 HydrophobicContact CG2-CB 3.59Å; R307-A338 HydrophobicContact CG-CB 3.84Å; V310-A338 HydrophobicContact CG1-CB 4.19Å; L311-A338 HydrophobicContact CD2-CB 4.11Å; L311-A338 HydrophobicContact CG-CB 4.18Å; S334-A338 PolarHBondContact O-N 3.42Å; S334-A338 VanDerWaalsContact O-N 3.08Å; T335-A338 PolarHBondContact O-N 3.18Å; R336-A338 PolarHBondContact O-N 2.71Å; A338-P341 WeakPolarHBondContact O-CD 3.45Å; A338-A342 VanDerWaalsContact O-CB 3.31Å; A338-A342 WeakPolarHBondContact O-CB 3.4Å; A338-A342 PolarHBondContact O-N 3.23Å
339V90.3Very high91Very high0 Ų013.5 Ų13.50%07%0.067CC..THydrogen-bonded Turntrans-62-48.6-177.1172.70000112.8K210 V240 L242 T335 R336 A342 G362K210-V339 WeakPolarHBondContact CE-O 3.25Å; V240-V339 HydrophobicContact CG1-CG2 4.38Å; L242-V339 HydrophobicContact CD1-CG2 4.28Å; L242-V339 HydrophobicContact CD2-CG2 3.86Å; L242-V339 HydrophobicContact CG-CG2 4.5Å; T335-V339 WeakPolarHBondContact O-CG2 3.42Å; T335-V339 PolarHBondContact O-N 3.49Å; R336-V339 WeakPolarHBondContact O-CB 3.24Å; R336-V339 PolarHBondContact O-N 3.29Å; V339-A342 PolarHBondContact O-N 3.35Å; V339-G362 WeakPolarHBondContact CG1-O 3.2Å
340P88.2Confident90.9Very high28 Ų2816.6 Ų16.618%0.1828%0.081CC..THydrogen-bonded Turntrans-58.8-42-176.4-22.332.8000115.4E205 K210 L337E205-P340 HydrophobicContact CB-CB 4.33Å; E205-P340 WeakPolarHBondContact O-CB 3.48Å; K210-P340 WeakPolarHBondContact CE-O 3.47Å; K210-P340 PolarHBondContact NZ-O 3.14Å; L337-P340 WeakPolarHBondContact O-CD 3.28Å
341P86.4Confident90.8Very high13 Ų1317 Ų178%0.0848%0.082CC..THydrogen-bonded Turntrans-85.4-10.6176.531.5-35.9000115.1E205 L311 A338E205-P341 WeakPolarHBondContact OE2-CG 3.16Å; L311-P341 HydrophobicContact CD1-CB 4.25Å; L311-P341 HydrophobicContact CD1-CG 3.59Å; L311-P341 HydrophobicContact CD2-CB 4.33Å; L311-P341 HydrophobicContact CD2-CG 3.85Å; L311-P341 HydrophobicContact CG-CG 4.36Å; A338-P341 WeakPolarHBondContact O-CD 3.45Å
342A90.4Very high90.6Very high0 Ų017 Ų170%08%0.082CC..  trans-68.1144179.800000112.6V208 K210 V240 L311 A338 V339 V345V208-A342 WeakPolarHBondContact CG2-O 3.44Å; K210-A342 WeakPolarHBondContact CD-O 3.49Å; K210-A342 WeakPolarHBondContact CE-O 3.35Å; K210-A342 WeakPolarHBondContact CG-O 3.29Å; V240-A342 HydrophobicContact CB-CB 4.11Å; V240-A342 HydrophobicContact CG2-CB 3.56Å; L311-A342 HydrophobicContact CD2-CB 4.43Å; A338-A342 VanDerWaalsContact O-CB 3.31Å; A338-A342 WeakPolarHBondContact O-CB 3.4Å; A338-A342 PolarHBondContact O-N 3.23Å; V339-A342 PolarHBondContact O-N 3.35Å; A342-V345 HydrophobicContact CB-CG2 4.08Å
343Q91.6Very high90.4Very high32 Ų3216.5 Ų16.515%0.158%0.08CC..SBendtrans-92.6-32.9176.3-74.4174.1-57.700112L57 E61 K210 I211 I237 S238L57-Q343 HydrophobicContact CD2-CB 3.96Å; E61-Q343 PolarHBondContact OE1-NE2 3.22Å; E61-Q343 PolarHBondContact OE2-NE2 3.43Å; K210-Q343 VanDerWaalsContact CA-O 3.27Å; K210-Q343 WeakPolarHBondContact CA-O 3.4Å; I211-Q343 PolarHBondContact N-O 3.38Å; I237-Q343 HydrophobicContact CD1-CB 3.63Å; I237-Q343 HydrophobicContact CD1-CG 4.44Å; I237-Q343 HydrophobicContact CG1-CB 4.26Å; S238-Q343 PolarHBondContact O-N 2.99Å
344L94Very high90.4Very high4 Ų417.2 Ų17.22%0.0219%0.085CC..EExtended strand (participates in β ladder)trans-124.9119.9179177.555.3000109.6L54 I211 F224 V228 I237 S238 L239 V240 V346L54-L344 HydrophobicContact CD2-CD2 4.13Å; I211-L344 HydrophobicContact CB-CD1 4.09Å; I211-L344 HydrophobicContact CG2-CD1 4.03Å; I211-L344 WeakPolarHBondContact O-CA 2.98Å; I211-L344 WeakPolarHBondContact O-CD1 3.12Å; F224-L344 HydrophobicContact CE1-CD2 4.14Å; F224-L344 HydrophobicContact CZ-CD2 4.33Å; V228-L344 HydrophobicContact CG2-CD2 4.22Å; I237-L344 HydrophobicContact CG1-CB 4.12Å; S238-L344 PolarHBondContact O-N 2.86Å; S238-L344 VanDerWaalsContact O-N 3.12Å; L239-L344 CarbonylContact C-O 3.58Å; L239-L344 VanDerWaalsContact CA-O 3.29Å; L239-L344 WeakPolarHBondContact CA-O 3.44Å; L239-L344 HydrophobicContact CD1-CD2 3.64Å; L239-L344 HydrophobicContact CD1-CG 3.99Å; L239-L344 HydrophobicContact CG-CB 4.49Å; L239-L344 HydrophobicContact CG-CD2 4.36Å; L239-L344 HydrophobicContact CG-CG 4.23Å; V240-L344 PolarHBondContact N-O 3.22Å; L344-V346 HydrophobicContact CG-CG2 4.39Å
345V94.8Very high90.1Very high0 Ų020.2 Ų20.20%010%0.099CC..EExtended strand (participates in β ladder)trans-114.7121.7178.3-175.90000108.9K210 I211 Y212 Y213 V240 L242 A342 L347K210-V345 HydrophobicContact CD-CG2 4.28Å; I211-V345 PolarHBondContact O-N 3.19Å; Y212-V345 CarbonylContact C-O 3.58Å; Y212-V345 WeakPolarHBondContact CA-O 3.46Å; Y212-V345 HydrophobicContact CD1-CB 3.68Å; Y212-V345 HydrophobicContact CD1-CG1 4.07Å; Y212-V345 HydrophobicContact CD1-CG2 4.3Å; Y212-V345 HydrophobicContact CE1-CB 3.81Å; Y212-V345 HydrophobicContact CE1-CG1 4.12Å; Y212-V345 HydrophobicContact CE1-CG2 3.96Å; Y213-V345 PolarHBondContact N-O 3.47Å; V240-V345 WeakPolarHBondContact O-CA 3.41Å; L242-V345 HydrophobicContact CD1-CG1 3.67Å; L242-V345 HydrophobicContact CG-CG1 4Å; A342-V345 HydrophobicContact CB-CG2 4.08Å; V345-L347 HydrophobicContact CB-CD2 4.4Å; V345-L347 HydrophobicContact CG1-CD2 3.83Å
346V94.9Very high89.8Confident0 Ų023.1 Ų23.10%012%0.123CC..EExtended strand (participates in β ladder)trans-103.8120.4-177.9-179.90000108.9Y213 L221 F224 V225 L239 V240 L242 L344Y213-V346 WeakPolarHBondContact O-CA 2.94Å; L221-V346 HydrophobicContact CB-CG1 3.88Å; L221-V346 HydrophobicContact CD2-CG1 3.55Å; L221-V346 HydrophobicContact CG-CG1 4.17Å; F224-V346 HydrophobicContact CD1-CG1 4.3Å; F224-V346 HydrophobicContact CD1-CG2 3.83Å; F224-V346 HydrophobicContact CE1-CG2 3.67Å; V225-V346 HydrophobicContact CG2-CG1 4.28Å; V225-V346 HydrophobicContact CG2-CG2 4.33Å; L239-V346 HydrophobicContact CD1-CG2 3.9Å; L239-V346 HydrophobicContact CD2-CG2 4.09Å; L239-V346 HydrophobicContact CG-CG2 4.07Å; V240-V346 PolarHBondContact O-N 2.71Å; L242-V346 PolarHBondContact N-O 2.91Å; L344-V346 HydrophobicContact CG-CG2 4.39Å
347L93.6Very high89.6Confident0 Ų023.1 Ų23.10%013%0.129CC..EExtended strand (participates in β ladder)trans-148.3157.5-177.762.2150.8000113.5Y212 Y213 C214 S215 L242 V345 Y349 M351 V352 V363Y212-L347 HydrophobicContact CD1-CD2 3.79Å; Y213-L347 PolarHBondContact O-N 3.09Å; C214-L347 WeakPolarHBondContact CA-O 3.43Å; S215-L347 PolarHBondContact N-O 3.3Å; L242-L347 HydrophobicContact CB-CB 4.04Å; L242-L347 HydrophobicContact CD1-CB 4.29Å; V345-L347 HydrophobicContact CB-CD2 4.4Å; V345-L347 HydrophobicContact CG1-CD2 3.83Å; L347-Y349 PolarHBondContact O-N 3.41Å; L347-M351 HydrophobicContact CD1-CB 3.78Å; L347-V352 HydrophobicContact CD1-CG2 3.35Å; L347-V352 HydrophobicContact CD2-CG2 4.41Å; L347-V352 HydrophobicContact CG-CG2 4.01Å; L347-V363 HydrophobicContact CD1-CG2 4.47Å
348P91.3Very high89.6Confident5 Ų519.8 Ų19.83%0.03211%0.111CC..EExtended strand (participates in β ladder)trans-62.3136.1169.1-19.631.2000110.6S215 L221 Q350 M351S215-P348 WeakPolarHBondContact O-CA 3.3Å; L221-P348 HydrophobicContact CD1-CB 4.46Å; L221-P348 HydrophobicContact CD1-CG 3.88Å; P348-Q350 PolarHBondContact O-N 2.65Å; P348-Q350 VanDerWaalsContact O-N 3.1Å; P348-M351 HydrophobicContact CG-SD 4.27Å; P348-M351 WeakPolarHBondContact O-CB 3.44Å; P348-M351 PolarHBondContact O-N 3.13Å
349Y88.9Confident89.5Confident1 Ų127.8 Ų27.80%0.00414%0.141CC..Hα-helixtrans-63.6-21.8-177.463.1-113.9000112.6S215 R216 L347 M351 V352 L353 I372 L378 T381S215-Y349 WeakPolarHBondContact O-CD1 3.48Å; S215-Y349 PolarHBondContact O-N 2.91Å; S215-Y349 VanDerWaalsContact O-N 3.17Å; R216-Y349 HydrophobicContact CB-CD1 4.5Å; R216-Y349 HydrophobicContact CB-CE1 3.57Å; R216-Y349 HydrophobicContact CG-CE1 4.08Å; L347-Y349 PolarHBondContact O-N 3.41Å; Y349-M351 PolarHBondContact O-N 3.05Å; Y349-V352 PolarHBondContact O-N 3.05Å; Y349-L353 HydrophobicContact CD2-CD1 3.59Å; Y349-L353 HydrophobicContact CE2-CD1 4.18Å; Y349-L353 VanDerWaalsContact O-CG 3.27Å; Y349-L353 WeakPolarHBondContact O-CG 3.2Å; Y349-L353 PolarHBondContact O-N 3.32Å; Y349-I372 HydrophobicContact CD1-CG2 4.25Å; Y349-I372 HydrophobicContact CG-CG2 4.45Å; Y349-L378 HydrophobicContact CD2-CD1 4.41Å; Y349-T381 HydrophobicContact CD2-CG2 4.4Å; Y349-T381 HydrophobicContact CE2-CG2 3.49Å; Y349-T381 VanDerWaalsContact CE2-CG2 3.49Å; Y349-T381 PolarHBondContact OH-OG1 2.93Å
350Q88.4Confident89.2Confident65 Ų6530.9 Ų30.930%0.30417%0.167SC..Hα-helixtrans-60.2-29.5173.7-52.190.513.500112.3R216 P348 H354 T381 I385R216-Q350 PolarHBondContact O-NE2 3.46Å; P348-Q350 PolarHBondContact O-N 2.65Å; P348-Q350 VanDerWaalsContact O-N 3.1Å; Q350-H354 WeakPolarHBondContact O-CB 3.44Å; Q350-H354 PolarHBondContact O-N 3.24Å; Q350-H354 VanDerWaalsContact O-N 3.09Å; Q350-T381 HydrophobicContact CG-CG2 3.95Å; Q350-I385 HydrophobicContact CB-CD1 3.96Å; Q350-I385 HydrophobicContact CG-CD1 4.11Å
351M89.3Confident89.1Confident21 Ų2129.6 Ų29.610%0.10316%0.158CC..Hα-helixtrans-73-27.7176.2-66.4-175.55700112.8L242 L347 P348 Y349 T357 R358 A361L242-M351 HydrophobicContact CB-CE 4.31Å; L347-M351 HydrophobicContact CD1-CB 3.78Å; P348-M351 HydrophobicContact CG-SD 4.27Å; P348-M351 WeakPolarHBondContact O-CB 3.44Å; P348-M351 PolarHBondContact O-N 3.13Å; Y349-M351 PolarHBondContact O-N 3.05Å; M351-T357 HydrophobicContact CB-CG2 4Å; M351-T357 HydrophobicContact CE-CG2 4.17Å; M351-T357 HydrophobicContact CG-CG2 3.75Å; M351-R358 WeakPolarHBondContact O-CA 3.45Å; M351-R358 WeakPolarHBondContact O-CB 3.43Å; M351-R358 PolarHBondContact O-N 3.42Å; M351-A361 HydrophobicContact CE-CB 3.78Å
352V89.6Confident89Confident1 Ų130.7 Ų30.71%0.00617%0.172CC..Hα-helixtrans-77.2-43.1173.4176.10000110.8C214 L347 Y349 R358 L365 V599C214-V352 WeakPolarHBondContact SG-CG2 3.47Å; L347-V352 HydrophobicContact CD1-CG2 3.35Å; L347-V352 HydrophobicContact CD2-CG2 4.41Å; L347-V352 HydrophobicContact CG-CG2 4.01Å; Y349-V352 PolarHBondContact O-N 3.05Å; V352-R358 WeakPolarHBondContact O-CD 3.34Å; V352-R358 PolarHBondContact O-NH1 3.48Å; V352-L365 HydrophobicContact CG1-CD1 4.47Å; V352-L365 HydrophobicContact CG1-CD2 4.32Å; V352-V599 HydrophobicContact CG1-CG1 4.37Å
353L88.4Confident88.9Confident6 Ų631.1 Ų31.13%0.03118%0.175CC..Hα-helixtrans-73.6-31.3-173.7-58.6171.6000112.4Y349 L378 L382 I385 F596Y349-L353 HydrophobicContact CD2-CD1 3.59Å; Y349-L353 HydrophobicContact CE2-CD1 4.18Å; Y349-L353 VanDerWaalsContact O-CG 3.27Å; Y349-L353 WeakPolarHBondContact O-CG 3.2Å; Y349-L353 PolarHBondContact O-N 3.32Å; L353-L378 HydrophobicContact CD1-CD1 3.52Å; L353-L378 HydrophobicContact CD2-CD1 4.12Å; L353-L378 HydrophobicContact CG-CD1 4.41Å; L353-L382 HydrophobicContact CB-CD2 3.86Å; L353-L382 HydrophobicContact CD1-CD2 3.94Å; L353-L382 HydrophobicContact CD1-CG 4Å; L353-L382 HydrophobicContact CD2-CD2 3.98Å; L353-L382 HydrophobicContact CD2-CG 4.47Å; L353-L382 HydrophobicContact CG-CD2 4.11Å; L353-I385 HydrophobicContact CB-CD1 4.15Å; L353-I385 HydrophobicContact CD1-CD1 4.33Å; L353-F596 HydrophobicContact CD2-CD2 3.71Å; L353-F596 HydrophobicContact CD2-CE2 3.85Å
354H87.9Confident88.7Confident56 Ų5633.9 Ų33.926%0.25919%0.187SC..SBendtrans-89.4110.3176.5-170.4-112.5000112Q350 A356 T357 R358 I385Q350-H354 WeakPolarHBondContact O-CB 3.44Å; Q350-H354 PolarHBondContact O-N 3.24Å; Q350-H354 VanDerWaalsContact O-N 3.09Å; H354-A356 PolarHBondContact O-N 3.13Å; H354-T357 PolarHBondContact ND1-N 2.66Å; H354-T357 PolarHBondContact ND1-OG1 2.87Å; H354-T357 PolarHBondContact O-N 3.35Å; H354-R358 WeakPolarHBondContact O-CB 3.38Å; H354-R358 PolarHBondContact O-N 3.27Å; H354-I385 HydrophobicContact CB-CG2 4.14Å
355E85.1Confident88.5Confident63 Ų6333.7 Ų33.729%0.29419%0.186SC..Hα-helixtrans-57.5-45.4-172.6179.3169.3-140.700114.2T357 R358 R359 Q598E355-T357 VanDerWaalsContact C-N 3.31Å; E355-T357 PolarHBondContact O-N 3.36Å; E355-R358 WeakPolarHBondContact O-CB 3.14Å; E355-R358 PolarHBondContact O-N 3.21Å; E355-R358 IonicContact OE1-NH2 2.71Å; E355-R359 HydrophobicContact CG-CG 4.39Å; E355-R359 WeakPolarHBondContact O-CG 3.44Å; E355-R359 PolarHBondContact O-N 3.01Å; E355-R359 IonicContact OE1-CZ 3.87Å; E355-R359 IonicContact OE1-NE 2.71Å; E355-R359 PolarHBondContact OE1-NE 3.42Å; E355-R359 IonicContact OE1-NH2 3.7Å; E355-R359 PolarHBondContact OE1-NH2 2.95Å; E355-R359 IonicContact OE2-CZ 3.34Å; E355-R359 IonicContact OE2-NH2 3.22Å; E355-R359 PolarHBondContact OE2-NH2 3.45Å; E355-Q598 PolarHBondContact OE1-NE2 2.91Å
356A84.2Confident88.4Confident63 Ų6341.1 Ų41.152%0.52122%0.219SC..Hα-helixtrans-64-38.1-179.100000111.9H354 A360H354-A356 PolarHBondContact O-N 3.13Å; A356-A360 VanDerWaalsContact O-CB 3.3Å; A356-A360 WeakPolarHBondContact O-CB 3.36Å; A356-A360 PolarHBondContact O-N 3.42Å
357T86.3Confident88Confident49 Ų4943 Ų4330%0.30124%0.239SC..Hα-helixtrans-68.9-40.5176.6-55.30000111.1M351 H354 E355 A360 A361M351-T357 HydrophobicContact CB-CG2 4Å; M351-T357 HydrophobicContact CE-CG2 4.17Å; M351-T357 HydrophobicContact CG-CG2 3.75Å; H354-T357 PolarHBondContact ND1-N 2.66Å; H354-T357 PolarHBondContact ND1-OG1 2.87Å; H354-T357 PolarHBondContact O-N 3.35Å; E355-T357 VanDerWaalsContact C-N 3.31Å; E355-T357 PolarHBondContact O-N 3.36Å; T357-A360 PolarHBondContact O-N 3.49Å; T357-A361 WeakPolarHBondContact O-CB 3.33Å; T357-A361 PolarHBondContact O-N 2.59Å
358R88.9Confident88Confident8 Ų843.7 Ų43.73%0.0324%0.242CC..Hα-helixtrans-59.2-52.3177.1-172.617465.5-123.75.5111.6M351 V352 H354 E355 A360 A361 G362 V363M351-R358 WeakPolarHBondContact O-CA 3.45Å; M351-R358 WeakPolarHBondContact O-CB 3.43Å; M351-R358 PolarHBondContact O-N 3.42Å; V352-R358 WeakPolarHBondContact O-CD 3.34Å; V352-R358 PolarHBondContact O-NH1 3.48Å; H354-R358 WeakPolarHBondContact O-CB 3.38Å; H354-R358 PolarHBondContact O-N 3.27Å; E355-R358 WeakPolarHBondContact O-CB 3.14Å; E355-R358 PolarHBondContact O-N 3.21Å; E355-R358 IonicContact OE1-NH2 2.71Å; R358-A360 PolarHBondContact O-N 2.9Å; R358-A361 PolarHBondContact O-N 2.99Å; R358-G362 PolarHBondContact O-N 3.19Å; R358-V363 HydrophobicContact CG-CB 3.73Å; R358-V363 HydrophobicContact CG-CG1 3.71Å; R358-V363 PolarHBondContact O-N 2.97Å; R358-V363 VanDerWaalsContact O-N 3.13Å
359R86.9Confident88.1Confident169 Ų16943.4 Ų43.464%0.63824%0.24SC*.Hα-helixtrans-61.2-45.2177.4-68.2-176.2-164.9164.50.5111.4E355 A361 G362E355-R359 HydrophobicContact CG-CG 4.39Å; E355-R359 WeakPolarHBondContact O-CG 3.44Å; E355-R359 PolarHBondContact O-N 3.01Å; E355-R359 IonicContact OE1-CZ 3.87Å; E355-R359 IonicContact OE1-NE 2.71Å; E355-R359 PolarHBondContact OE1-NE 3.42Å; E355-R359 IonicContact OE1-NH2 3.7Å; E355-R359 PolarHBondContact OE1-NH2 2.95Å; E355-R359 IonicContact OE2-CZ 3.34Å; E355-R359 IonicContact OE2-NH2 3.22Å; E355-R359 PolarHBondContact OE2-NH2 3.45Å; R359-A361 PolarHBondContact O-N 2.67Å; R359-G362 PolarHBondContact O-N 3.01Å; R359-G362 VanDerWaalsContact O-N 3.1Å
360A84.6Confident88.5Confident65 Ų6543.4 Ų43.454%0.53724%0.24SC..Hα-helixtrans-59.9-36.4178.200000112.1R336 A356 T357 R358 G362R336-A360 PolarHBondContact NH1-O 2.55Å; A356-A360 VanDerWaalsContact O-CB 3.3Å; A356-A360 WeakPolarHBondContact O-CB 3.36Å; A356-A360 PolarHBondContact O-N 3.42Å; T357-A360 PolarHBondContact O-N 3.49Å; R358-A360 PolarHBondContact O-N 2.9Å; A360-G362 VanDerWaalsContact C-N 3.25Å; A360-G362 PolarHBondContact O-N 2.78Å
361A85.8Confident88.8Confident1 Ų140.4 Ų40.41%0.00823%0.226CC..THydrogen-bonded Turntrans-76-5.2179.600000114.6L242 M351 T357 R358 R359 V363L242-A361 HydrophobicContact CD1-CB 4.39Å; M351-A361 HydrophobicContact CE-CB 3.78Å; T357-A361 WeakPolarHBondContact O-CB 3.33Å; T357-A361 PolarHBondContact O-N 2.59Å; R358-A361 PolarHBondContact O-N 2.99Å; R359-A361 PolarHBondContact O-N 2.67Å; A361-V363 VanDerWaalsContact C-N 3.31Å; A361-V363 HydrophobicContact CB-CG2 4.01Å
362G84Confident89.1Confident36 Ų3639.5 Ų39.537%0.37122%0.221SC..THydrogen-bonded Turntrans73.123.3-174.700000113.2V339 R358 R359 A360V339-G362 WeakPolarHBondContact CG1-O 3.2Å; R358-G362 PolarHBondContact O-N 3.19Å; R359-G362 PolarHBondContact O-N 3.01Å; R359-G362 VanDerWaalsContact O-N 3.1Å; A360-G362 VanDerWaalsContact C-N 3.25Å; A360-G362 PolarHBondContact O-N 2.78Å
363V88.1Confident89.2Confident9 Ų939.7 Ų39.76%0.05522%0.223CC..  trans-88.1118.3-179.8171.70000109.6Y212 L242 L347 R358 A361 L365Y212-V363 HydrophobicContact CD1-CG1 4.08Å; Y212-V363 HydrophobicContact CE1-CB 4.33Å; Y212-V363 HydrophobicContact CE1-CG1 3.66Å; Y212-V363 HydrophobicContact CE1-CG2 4.12Å; Y212-V363 HydrophobicContact CE2-CG1 4.29Å; L242-V363 HydrophobicContact CD1-CG2 4.06Å; L347-V363 HydrophobicContact CD1-CG2 4.47Å; R358-V363 HydrophobicContact CG-CB 3.73Å; R358-V363 HydrophobicContact CG-CG1 3.71Å; R358-V363 PolarHBondContact O-N 2.97Å; R358-V363 VanDerWaalsContact O-N 3.13Å; A361-V363 VanDerWaalsContact C-N 3.31Å; A361-V363 HydrophobicContact CB-CG2 4.01Å; V363-L365 HydrophobicContact CG1-CD2 3.95Å
364Q88.8Confident89.1Confident89 Ų8941.1 Ų41.142%0.41623%0.229SC..  trans-112.1120.5177.5-174.9178.48.300110Y212 K366 Q368Y212-Q364 WeakPolarHBondContact CE2-O 3.47Å; Y212-Q364 PolarHBondContact OH-N 2.64Å; Y212-Q364 PolarHBondContact OH-O 2.87Å; Q364-K366 HydrophobicContact CG-CB 4.44Å; Q364-Q368 VanDerWaalsContact O-CG 3.28Å; Q364-Q368 WeakPolarHBondContact O-CG 3.32Å
365L89.8Confident89.1Confident1 Ų138.5 Ų38.51%0.00522%0.217CC..  trans-89-20-174.7-59.6-179.3000113.9Y212 V352 V363 G367 Q368 V370 V599 E602Y212-L365 HydrophobicContact CD2-CD2 4.27Å; Y212-L365 HydrophobicContact CE2-CD2 4.37Å; V352-L365 HydrophobicContact CG1-CD1 4.47Å; V352-L365 HydrophobicContact CG1-CD2 4.32Å; V363-L365 HydrophobicContact CG1-CD2 3.95Å; L365-G367 PolarHBondContact O-N 2.78Å; L365-G367 VanDerWaalsContact O-N 3.09Å; L365-Q368 PolarHBondContact O-N 3.17Å; L365-V370 HydrophobicContact CD2-CG2 3.95Å; L365-V599 HydrophobicContact CD1-CB 4.28Å; L365-V599 HydrophobicContact CD1-CG1 4.07Å; L365-V599 HydrophobicContact CD1-CG2 3.99Å; L365-E602 HydrophobicContact CB-CB 3.93Å
366K90.8Very high89Confident155 Ų15536.5 Ų36.567%0.67421%0.207SC*.THydrogen-bonded Turntrans-57115-172.5-171.1179.9178.9-175.90111.4Q364 Q368 E602Q364-K366 HydrophobicContact CG-CB 4.44Å; K366-Q368 PolarHBondContact O-N 3.04Å; K366-E602 CarbonylContact C-O 3.52Å; K366-E602 VanDerWaalsContact CA-O 3.27Å; K366-E602 WeakPolarHBondContact CA-O 3.23Å
367G87.6Confident88.8Confident41 Ų4134.4 Ų34.442%0.42319%0.188SC..THydrogen-bonded Turntrans73.56.6178.300000115.1L365 E602L365-G367 PolarHBondContact O-N 2.78Å; L365-G367 VanDerWaalsContact O-N 3.09Å; G367-E602 PolarHBondContact N-O 3.01Å
368Q92.9Very high88.9Confident13 Ų1332 Ų326%0.06117%0.173CC..  trans-97.8168.8-177.6-53.6-59.7-11.400112.1V208 K210 Y212 Q364 L365 K366 R604V208-Q368 PolarHBondContact O-NE2 3.14Å; V208-Q368 VanDerWaalsContact O-NE2 3.13Å; K210-Q368 PolarHBondContact O-OE1 2.98Å; Y212-Q368 HydrophobicContact CD2-CB 4.13Å; Y212-Q368 HydrophobicContact CE2-CB 3.81Å; Y212-Q368 HydrophobicContact CE2-CG 4.01Å; Q364-Q368 VanDerWaalsContact O-CG 3.28Å; Q364-Q368 WeakPolarHBondContact O-CG 3.32Å; L365-Q368 PolarHBondContact O-N 3.17Å; K366-Q368 PolarHBondContact O-N 3.04Å; Q368-R604 PolarHBondContact O-N 3.4Å
369V95Very high88.8Confident0 Ų032.2 Ų32.20%018%0.176CC..EExtended strand (participates in β ladder)trans-102.8133.9177.2173.50000110.2L29 W56 K210 I211 Y212 I371 A605L29-V369 HydrophobicContact CD2-CB 4.46Å; L29-V369 HydrophobicContact CD2-CG1 3.38Å; L29-V369 HydrophobicContact CD2-CG2 4.22Å; W56-V369 HydrophobicContact CE3-CG2 4.45Å; W56-V369 HydrophobicContact CH2-CG2 3.46Å; W56-V369 VanDerWaalsContact CH2-CG2 3.46Å; W56-V369 HydrophobicContact CZ2-CG2 4.37Å; W56-V369 HydrophobicContact CZ3-CB 4.39Å; W56-V369 HydrophobicContact CZ3-CG2 3.51Å; K210-V369 PolarHBondContact O-N 2.83Å; I211-V369 HydrophobicContact CG1-CB 4.27Å; I211-V369 HydrophobicContact CG1-CG1 4.41Å; Y212-V369 PolarHBondContact N-O 2.77Å; V369-I371 HydrophobicContact CG1-CG1 4.26Å; V369-A605 HydrophobicContact CG2-CB 4.27Å
370V95.8Very high88.7Confident0 Ų027.5 Ų27.50%016%0.163CC..EExtended strand (participates in β ladder)trans-118.5128174.51790000109.8Y212 L365 I372 C603 A605 V606 I607Y212-V370 HydrophobicContact CD2-CG2 4.25Å; L365-V370 HydrophobicContact CD2-CG2 3.95Å; V370-I372 HydrophobicContact CG1-CG1 3.97Å; V370-C603 WeakPolarHBondContact CG2-SG 3.25Å; V370-A605 PolarHBondContact N-O 2.93Å; V370-V606 CarbonylContact O-C 3.55Å; V370-V606 WeakPolarHBondContact O-CA 3.4Å; V370-I607 PolarHBondContact O-N 3.29Å
371I95.9Very high88.8Confident2 Ų225.5 Ų25.51%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-114.5117.7173.7-55.7-179.2000107.7L49 A53 I211 Y212 Y213 C214 V369 I607L49-I371 HydrophobicContact CD1-CG2 4.45Å; L49-I371 HydrophobicContact CD2-CG2 4.07Å; A53-I371 HydrophobicContact CB-CD1 3.62Å; I211-I371 HydrophobicContact CG2-CD1 3.69Å; I211-I371 HydrophobicContact CG2-CG1 4.02Å; Y212-I371 PolarHBondContact O-N 3.05Å; Y213-I371 HydrophobicContact CD2-CB 4.1Å; Y213-I371 HydrophobicContact CD2-CG2 3.93Å; Y213-I371 HydrophobicContact CE2-CG2 4.01Å; C214-I371 PolarHBondContact N-O 3.48Å; V369-I371 HydrophobicContact CG1-CG1 4.26Å; I371-I607 CarbonylContact C-O 3.56Å; I371-I607 WeakPolarHBondContact CA-O 3.26Å; I371-I607 HydrophobicContact CB-CB 4.45Å; I371-I607 HydrophobicContact CG1-CB 4.12Å; I371-I607 HydrophobicContact CG1-CG1 4.31Å; I371-I607 HydrophobicContact CG2-CB 4.3Å; I371-I607 HydrophobicContact CG2-CG2 4.37Å
372I94.3Very high88.9Confident2 Ų225.5 Ų25.51%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-105.9108.9175.1-52.7179.1000107.5Y349 V370 A375 L378 F596 I607 A609Y349-I372 HydrophobicContact CD1-CG2 4.25Å; Y349-I372 HydrophobicContact CG-CG2 4.45Å; V370-I372 HydrophobicContact CG1-CG1 3.97Å; I372-A375 HydrophobicContact CB-CB 4.45Å; I372-A375 HydrophobicContact CG2-CB 3.84Å; I372-L378 HydrophobicContact CD1-CD1 4.32Å; I372-L378 HydrophobicContact CD1-CD2 4.04Å; I372-F596 HydrophobicContact CD1-CE2 4.07Å; I372-F596 HydrophobicContact CD1-CZ 4.16Å; I372-I607 PolarHBondContact N-O 3.38Å; I372-A609 PolarHBondContact O-N 3.19Å
373D91.8Very high89.1Confident6 Ų624.4 Ų24.43%0.03213%0.131CC..SBendtrans-91153.5172.1-164.618.5000111.3K45 Y213 C214 A375 A609K45-D373 WeakPolarHBondContact CE-OD1 3.24Å; K45-D373 IonicContact NZ-OD1 3.04Å; K45-D373 PolarHBondContact NZ-OD1 3.37Å; K45-D373 IonicContact NZ-OD2 2.82Å; Y213-D373 HydrophobicContact CE1-CB 4.36Å; Y213-D373 HydrophobicContact CE2-CB 4.26Å; Y213-D373 VanDerWaalsContact OH-CB 3.25Å; Y213-D373 WeakPolarHBondContact OH-CB 3.43Å; Y213-D373 PolarHBondContact OH-OD2 2.96Å; C214-D373 PolarHBondContact O-N 2.9Å; D373-A375 VanDerWaalsContact C-N 3.27Å; D373-A375 PolarHBondContact O-N 3.07Å; D373-A609 CarbonylContact C-O 3.49Å
374E87.1Confident88.9Confident36 Ų3628.5 Ų28.517%0.16816%0.159CC..SBendtrans55.139.3-174.6-64.4-60.8151.400113.6K45 H376 A609K45-E374 IonicContact NZ-OE1 3.29Å; K45-E374 PolarHBondContact NZ-OE1 3.28Å; E374-H376 PolarHBondContact O-N 3.28Å; E374-H376 PolarHBondContact O-ND1 3.09Å; E374-H376 IonicContact OE2-CE1 2.77Å; E374-H376 PolarHBondContact OE2-CE1 2.93Å; E374-H376 VanDerWaalsContact OE2-CE1 3.27Å; E374-H376 IonicContact OE2-ND1 3.54Å; E374-H376 PolarHBondContact OE2-ND1 3.44Å; E374-A609 PolarHBondContact N-O 2.91Å
375A87.4Confident88.8Confident0 Ų026.6 Ų26.60%015%0.151CC..G310 helixtrans-73.410.1-172.800000115.8I372 D373 N377 L378 I608 A609 M613I372-A375 HydrophobicContact CB-CB 4.45Å; I372-A375 HydrophobicContact CG2-CB 3.84Å; D373-A375 VanDerWaalsContact C-N 3.27Å; D373-A375 PolarHBondContact O-N 3.07Å; A375-N377 PolarHBondContact O-N 3.49Å; A375-L378 HydrophobicContact CB-CB 4.34Å; A375-L378 VanDerWaalsContact O-CB 3.23Å; A375-L378 WeakPolarHBondContact O-CB 3.29Å; A375-L378 PolarHBondContact O-N 3.24Å; A375-L378 VanDerWaalsContact O-N 3.08Å; A375-I608 HydrophobicContact CB-CG2 3.36Å; A375-A609 PolarHBondContact N-O 3.44Å; A375-A609 VanDerWaalsContact N-O 3.07Å; A375-M613 HydrophobicContact CB-SD 4.38Å
376H82.7Confident88.7Confident21 Ų2128 Ų2810%0.09716%0.157CC..G310 helixtrans-62.8-25.7-178.459.4-92.2000112.9E374 M613 Q833E374-H376 PolarHBondContact O-N 3.28Å; E374-H376 PolarHBondContact O-ND1 3.09Å; E374-H376 IonicContact OE2-CE1 2.77Å; E374-H376 PolarHBondContact OE2-CE1 2.93Å; E374-H376 VanDerWaalsContact OE2-CE1 3.27Å; E374-H376 IonicContact OE2-ND1 3.54Å; E374-H376 PolarHBondContact OE2-ND1 3.44Å; H376-M613 HydrophobicContact CB-SD 4.13Å; H376-Q833 PolarHBondContact CD2-NE2 2.75Å
377N81.3Confident88.6Confident19 Ų1921.9 Ų21.910%0.10213%0.134CC..G310 helixtrans-105.416.8176.6-72.1-1.1000113.4R216 A375 S379 D380 T381 E772R216-N377 VanDerWaalsContact CZ-ND2 3.35Å; R216-N377 PolarHBondContact NH1-ND2 2.68Å; A375-N377 PolarHBondContact O-N 3.49Å; N377-S379 PolarHBondContact O-N 2.81Å; N377-D380 PolarHBondContact O-N 3.1Å; N377-T381 WeakPolarHBondContact O-CB 3.44Å; N377-T381 PolarHBondContact O-N 2.78Å; N377-T381 PolarHBondContact O-OG1 3.45Å; N377-E772 PolarHBondContact ND2-OE1 2.83Å
378L88.1Confident88.7Confident0 Ų020.8 Ų20.80%012%0.121CC..Hα-helixtrans-61.9-45.2-175.5-179.561.8000112.2Y349 L353 I372 A375 T381 L382 F596 F619 L623Y349-L378 HydrophobicContact CD2-CD1 4.41Å; L353-L378 HydrophobicContact CD1-CD1 3.52Å; L353-L378 HydrophobicContact CD2-CD1 4.12Å; L353-L378 HydrophobicContact CG-CD1 4.41Å; I372-L378 HydrophobicContact CD1-CD1 4.32Å; I372-L378 HydrophobicContact CD1-CD2 4.04Å; A375-L378 HydrophobicContact CB-CB 4.34Å; A375-L378 VanDerWaalsContact O-CB 3.23Å; A375-L378 WeakPolarHBondContact O-CB 3.29Å; A375-L378 PolarHBondContact O-N 3.24Å; A375-L378 VanDerWaalsContact O-N 3.08Å; L378-T381 PolarHBondContact O-N 2.97Å; L378-L382 HydrophobicContact CD1-CD1 4.48Å; L378-L382 HydrophobicContact CG-CD1 4.32Å; L378-L382 PolarHBondContact O-N 3.07Å; L378-F596 HydrophobicContact CD2-CE1 4.44Å; L378-F596 HydrophobicContact CD2-CE2 4.34Å; L378-F596 HydrophobicContact CD2-CZ 4.04Å; L378-F619 HydrophobicContact CB-CE2 4.27Å; L378-F619 HydrophobicContact CD2-CE2 4.34Å; L378-F619 HydrophobicContact CD2-CZ 4.03Å; L378-L623 HydrophobicContact CD2-CD2 3.73Å; L378-L623 HydrophobicContact CG-CD2 4.16Å
379S86.2Confident88.6Confident12 Ų1225 Ų258%0.08414%0.141CC..Hα-helixtrans-60.7-49.4178.2-174.80000111.3N377 T381 L382 S383 P592 E622N377-S379 PolarHBondContact O-N 2.81Å; S379-T381 VanDerWaalsContact C-N 3.31Å; S379-T381 PolarHBondContact O-N 3.07Å; S379-L382 WeakPolarHBondContact O-CB 3.48Å; S379-L382 PolarHBondContact O-N 3.28Å; S379-S383 PolarHBondContact O-N 2.95Å; S379-P592 WeakPolarHBondContact OG-CG 3.47Å; S379-E622 PolarHBondContact OG-OE1 2.93Å; S379-E622 VanDerWaalsContact OG-OE1 3.06Å
380D84.6Confident88.5Confident70 Ų7025 Ų2537%0.37414%0.141SC..Hα-helixtrans-62.4-39.9179.2-60.4-37.2000111.7N377 S383 C384N377-D380 PolarHBondContact O-N 3.1Å; D380-S383 PolarHBondContact O-N 3.37Å; D380-C384 WeakPolarHBondContact O-CB 3.33Å; D380-C384 PolarHBondContact O-N 3.07Å; D380-C384 PolarHBondContact O-SG 2.67Å
381T87Confident88.2Confident23 Ų2326.3 Ų26.314%0.14115%0.15CC..Hα-helixtrans-67.6-38.6178.5-48.10000111.8Y349 Q350 N377 L378 S379 C384 I385Y349-T381 HydrophobicContact CD2-CG2 4.4Å; Y349-T381 HydrophobicContact CE2-CG2 3.49Å; Y349-T381 VanDerWaalsContact CE2-CG2 3.49Å; Y349-T381 PolarHBondContact OH-OG1 2.93Å; Q350-T381 HydrophobicContact CG-CG2 3.95Å; N377-T381 WeakPolarHBondContact O-CB 3.44Å; N377-T381 PolarHBondContact O-N 2.78Å; N377-T381 PolarHBondContact O-OG1 3.45Å; L378-T381 PolarHBondContact O-N 2.97Å; S379-T381 VanDerWaalsContact C-N 3.31Å; S379-T381 PolarHBondContact O-N 3.07Å; T381-C384 PolarHBondContact O-N 3.41Å; T381-I385 HydrophobicContact CG2-CD1 3.89Å; T381-I385 HydrophobicContact CG2-CG1 4.28Å; T381-I385 VanDerWaalsContact O-CG1 3.23Å; T381-I385 WeakPolarHBondContact O-CG1 3.41Å; T381-I385 PolarHBondContact O-N 3.05Å
382L88.3Confident87.8Confident0 Ų026.2 Ų26.20%015%0.15CC..Hα-helixtrans-60.9-49173.4-83166.7000111.3L353 L378 S379 C384 I385 H386 P592 F596 L623L353-L382 HydrophobicContact CB-CD2 3.86Å; L353-L382 HydrophobicContact CD1-CD2 3.94Å; L353-L382 HydrophobicContact CD1-CG 4Å; L353-L382 HydrophobicContact CD2-CD2 3.98Å; L353-L382 HydrophobicContact CD2-CG 4.47Å; L353-L382 HydrophobicContact CG-CD2 4.11Å; L378-L382 HydrophobicContact CD1-CD1 4.48Å; L378-L382 HydrophobicContact CG-CD1 4.32Å; L378-L382 PolarHBondContact O-N 3.07Å; S379-L382 WeakPolarHBondContact O-CB 3.48Å; S379-L382 PolarHBondContact O-N 3.28Å; L382-C384 VanDerWaalsContact C-N 3.29Å; L382-C384 PolarHBondContact O-N 3.33Å; L382-I385 PolarHBondContact O-N 2.67Å; L382-H386 PolarHBondContact O-CD2 3.02Å; L382-H386 VanDerWaalsContact O-CD2 3.3Å; L382-H386 PolarHBondContact O-N 2.93Å; L382-P592 HydrophobicContact CB-CB 3.67Å; L382-P592 HydrophobicContact CD1-CB 4.24Å; L382-F596 HydrophobicContact CD1-CB 3.93Å; L382-F596 HydrophobicContact CD1-CD2 4.34Å; L382-F596 HydrophobicContact CD1-CG 4.21Å; L382-L623 HydrophobicContact CD1-CD1 3.68Å
383S87.3Confident87.4Confident13 Ų1328 Ų289%0.09116%0.164CC..Hα-helixtrans-57.5-42.6175.4-73.50000111.5S379 D380 S387 L589S379-S383 PolarHBondContact O-N 2.95Å; D380-S383 PolarHBondContact O-N 3.37Å; S383-S387 WeakPolarHBondContact O-CB 3.14Å; S383-S387 PolarHBondContact O-N 3.18Å; S383-S387 PolarHBondContact O-OG 3.29Å; S383-L589 PolarHBondContact OG-O 3.29Å
384C85.6Confident87.3Confident95 Ų9528.8 Ų28.864%0.64217%0.168SC*.Hα-helixtrans-67.7-39.1178.2-71.90000114D380 T381 L382 H386 S387D380-C384 WeakPolarHBondContact O-CB 3.33Å; D380-C384 PolarHBondContact O-N 3.07Å; D380-C384 PolarHBondContact O-SG 2.67Å; T381-C384 PolarHBondContact O-N 3.41Å; L382-C384 VanDerWaalsContact C-N 3.29Å; L382-C384 PolarHBondContact O-N 3.33Å; C384-H386 VanDerWaalsContact C-N 3.27Å; C384-H386 PolarHBondContact O-N 3.37Å; C384-S387 PolarHBondContact O-N 2.78Å
385I85.3Confident87.4Confident49 Ų4927.1 Ų27.125%0.25116%0.16SC..Hα-helixtrans-63.1-36.7179.6-72.6164.9000111.2Q350 L353 H354 T381 L382Q350-I385 HydrophobicContact CB-CD1 3.96Å; Q350-I385 HydrophobicContact CG-CD1 4.11Å; L353-I385 HydrophobicContact CB-CD1 4.15Å; L353-I385 HydrophobicContact CD1-CD1 4.33Å; H354-I385 HydrophobicContact CB-CG2 4.14Å; T381-I385 HydrophobicContact CG2-CD1 3.89Å; T381-I385 HydrophobicContact CG2-CG1 4.28Å; T381-I385 VanDerWaalsContact O-CG1 3.23Å; T381-I385 WeakPolarHBondContact O-CG1 3.41Å; T381-I385 PolarHBondContact O-N 3.05Å; L382-I385 PolarHBondContact O-N 2.67Å
386H87.1Confident87.4Confident31 Ų3128 Ų2814%0.14417%0.166CC..THydrogen-bonded Turntrans-1023.9-175.6-64.4-70.9000113.5L382 C384 F587 L589 H595L382-H386 PolarHBondContact O-CD2 3.02Å; L382-H386 VanDerWaalsContact O-CD2 3.3Å; L382-H386 PolarHBondContact O-N 2.93Å; C384-H386 VanDerWaalsContact C-N 3.27Å; C384-H386 PolarHBondContact O-N 3.37Å; H386-F587 WeakPolarHBondContact O-CD1 3.12Å; H386-L589 HydrophobicContact CB-CB 4.48Å; H386-L589 HydrophobicContact CB-CD2 3.67Å; H386-H595 AromaticContact CD2-CD2 3.32Å; H386-H595 PolarHBondContact CD2-CD2 3.14Å; H386-H595 AromaticContact CD2-CG 3.62Å; H386-H595 AromaticContact CD2-NE2 3.9Å; H386-H595 AromaticContact CE1-CD2 3.89Å; H386-H595 AromaticContact CE1-CE1 3.89Å; H386-H595 AromaticContact CE1-CG 3.64Å; H386-H595 AromaticContact CE1-ND1 3.63Å; H386-H595 AromaticContact CG-CD2 3.45Å; H386-H595 VanDerWaalsContact CG-CD2 3.45Å; H386-H595 AromaticContact CG-CG 3.98Å; H386-H595 AromaticContact CG-NE2 3.51Å; H386-H595 AromaticContact ND1-CD2 3.8Å; H386-H595 AromaticContact ND1-CE1 3.71Å; H386-H595 AromaticContact ND1-CG 3.99Å; H386-H595 AromaticContact ND1-ND1 3.93Å; H386-H595 AromaticContact ND1-NE2 3.62Å; H386-H595 AromaticContact NE2-CD2 3.65Å; H386-H595 AromaticContact NE2-CG 3.41Å; H386-H595 AromaticContact NE2-ND1 3.9Å
387S89.3Confident87.6Confident27 Ų2730.6 Ų30.619%0.18918%0.175CC..  trans-95.5146.6169.2-64.70000109.9S383 C384 F587 L589S383-S387 WeakPolarHBondContact O-CB 3.14Å; S383-S387 PolarHBondContact O-N 3.18Å; S383-S387 PolarHBondContact O-OG 3.29Å; C384-S387 PolarHBondContact O-N 2.78Å; S387-F587 WeakPolarHBondContact CA-O 3.26Å; S387-F587 WeakPolarHBondContact CB-O 3.46Å; S387-F587 PolarHBondContact OG-O 3.23Å; S387-L589 PolarHBondContact OG-N 3.02Å
388A90.6Very high88Confident18 Ų1829.7 Ų29.715%0.14917%0.17CC..EExtended strand (participates in β ladder)trans-138.3137.5-179.200000110.1F559 A562 K586 F587A388-F559 HydrophobicContact CB-CB 4.16Å; A388-F559 HydrophobicContact CB-CD2 4.04Å; A388-A562 HydrophobicContact CB-CB 3.99Å; A388-K586 CarbonylContact O-C 3.58Å; A388-K586 WeakPolarHBondContact O-CA 3.33Å; A388-F587 PolarHBondContact N-O 2.66Å; A388-F587 PolarHBondContact O-N 3.41Å
389E90.9Very high88.1Confident100 Ų10030.7 Ų30.747%0.46718%0.175SC..EExtended strand (participates in β ladder)trans-124.9137178.1-178.6171.8-172.900110.6S584 V585 K586E389-S584 VanDerWaalsContact OE1-CB 3.24Å; E389-S584 WeakPolarHBondContact OE1-CB 2.97Å; E389-S584 PolarHBondContact OE1-OG 2.75Å; E389-V585 WeakPolarHBondContact CA-O 3.39Å; E389-K586 HydrophobicContact CB-CB 4.17Å; E389-K586 HydrophobicContact CB-CG 4.15Å; E389-K586 HydrophobicContact CG-CB 4.12Å
390L91.4Very high88.2Confident1 Ų130.9 Ų30.91%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-126.4124177.6-68.6-179.5000110.3L395 L431 Q555 V556 F559 S584 V585L390-L395 HydrophobicContact CB-CG 4.34Å; L390-L395 HydrophobicContact CD1-CD2 3.87Å; L390-L431 HydrophobicContact CD1-CD1 4.35Å; L390-Q555 HydrophobicContact CD2-CB 3.61Å; L390-V556 HydrophobicContact CD1-CG2 4.14Å; L390-V556 HydrophobicContact CD2-CG2 4.17Å; L390-F559 HydrophobicContact CD1-CB 3.46Å; L390-F559 VanDerWaalsContact CD1-CB 3.46Å; L390-F559 HydrophobicContact CD1-CD1 3.59Å; L390-F559 HydrophobicContact CD1-CD2 4.18Å; L390-F559 HydrophobicContact CD1-CE1 4.4Å; L390-F559 HydrophobicContact CD1-CG 3.47Å; L390-F559 VanDerWaalsContact CD1-CG 3.47Å; L390-F559 HydrophobicContact CD2-CB 4.42Å; L390-F559 HydrophobicContact CG-CB 3.81Å; L390-F559 HydrophobicContact CG-CD1 4.49Å; L390-F559 HydrophobicContact CG-CD2 4.24Å; L390-F559 HydrophobicContact CG-CG 3.94Å; L390-S584 CarbonylContact O-C 3.54Å; L390-S584 WeakPolarHBondContact O-CA 3.44Å; L390-S584 WeakPolarHBondContact O-CB 3.47Å; L390-V585 PolarHBondContact N-O 3.06Å; L390-V585 PolarHBondContact O-N 3.32Å
391S91.1Very high88.4Confident28 Ų2828 Ų2820%0.19616%0.16CC..EExtended strand (participates in β ladder)trans-81.8154.217072.80000111.7A393 Q394 L395 S583S391-A393 PolarHBondContact O-N 3.42Å; S391-Q394 WeakPolarHBondContact O-CB 3.25Å; S391-Q394 PolarHBondContact O-N 3.17Å; S391-Q394 VanDerWaalsContact O-N 3.08Å; S391-Q394 VanDerWaalsContact OG-CG 3.28Å; S391-Q394 WeakPolarHBondContact OG-CG 3.35Å; S391-Q394 PolarHBondContact OG-N 3.2Å; S391-Q394 PolarHBondContact OG-OE1 3.09Å; S391-L395 PolarHBondContact O-N 3.4Å; S391-S583 CarbonylContact C-O 3.51Å; S391-S583 WeakPolarHBondContact CA-O 3.36Å
392G87Confident88.5Confident0 Ų026.9 Ų26.90%015%0.153CC..Hα-helixtrans-59.9-32.417400000112.3L395 C396 L580 S583G392-L395 PolarHBondContact O-N 3.35Å; G392-C396 WeakPolarHBondContact O-CB 3.44Å; G392-C396 PolarHBondContact O-N 2.83Å; G392-C396 PolarHBondContact O-SG 2.99Å; G392-C396 VanDerWaalsContact O-SG 3.32Å; G392-L580 WeakPolarHBondContact CA-O 3.27Å; G392-S583 PolarHBondContact N-O 3.2Å
393A86.4Confident88.6Confident38 Ų3828.8 Ų28.831%0.31417%0.165SC..Hα-helixtrans-63-42.717300000112.4S391 R397S391-A393 PolarHBondContact O-N 3.42Å; A393-R397 WeakPolarHBondContact O-CB 3.49Å; A393-R397 PolarHBondContact O-N 2.89Å
394Q89Confident88.6Confident24 Ų2430.3 Ų30.311%0.11217%0.171CC..Hα-helixtrans-65.6-43.1176.5-72.7161.9-13.500111.4S391 R397 A398 Q555S391-Q394 WeakPolarHBondContact O-CB 3.25Å; S391-Q394 PolarHBondContact O-N 3.17Å; S391-Q394 VanDerWaalsContact O-N 3.08Å; S391-Q394 VanDerWaalsContact OG-CG 3.28Å; S391-Q394 WeakPolarHBondContact OG-CG 3.35Å; S391-Q394 PolarHBondContact OG-N 3.2Å; S391-Q394 PolarHBondContact OG-OE1 3.09Å; Q394-R397 PolarHBondContact O-N 3.01Å; Q394-A398 WeakPolarHBondContact O-CB 3.42Å; Q394-A398 PolarHBondContact O-N 3.23Å; Q394-Q555 VanDerWaalsContact NE2-NE2 3.2Å
395L89.5Confident88.7Confident0 Ų025.8 Ų25.80%014%0.14CC..Hα-helixtrans-61.4-49.2177.2-73.5169.2000112.2L390 S391 G392 R397 A398 Q399 I428 L431 I432 L435 V556L390-L395 HydrophobicContact CB-CG 4.34Å; L390-L395 HydrophobicContact CD1-CD2 3.87Å; S391-L395 PolarHBondContact O-N 3.4Å; G392-L395 PolarHBondContact O-N 3.35Å; L395-R397 VanDerWaalsContact C-N 3.28Å; L395-R397 PolarHBondContact O-N 3.33Å; L395-A398 PolarHBondContact O-N 2.85Å; L395-Q399 WeakPolarHBondContact O-CB 3.49Å; L395-Q399 PolarHBondContact O-N 3.4Å; L395-I428 HydrophobicContact CB-CG2 4.49Å; L395-I428 HydrophobicContact CD2-CG2 4.16Å; L395-L431 HydrophobicContact CD1-CB 3.91Å; L395-L431 HydrophobicContact CD2-CB 4.09Å; L395-L431 HydrophobicContact CD2-CD1 3.72Å; L395-I432 HydrophobicContact CB-CD1 4.33Å; L395-I432 HydrophobicContact CB-CG1 3.87Å; L395-L435 HydrophobicContact CD1-CD1 3.78Å; L395-V556 HydrophobicContact CD2-CG2 4.23Å
396C87.8Confident88.7Confident18 Ų1823.9 Ų23.912%0.12213%0.132CC..Hα-helixtrans-61-38.8177.2-71.80000111.8G392 S400 P443G392-C396 WeakPolarHBondContact O-CB 3.44Å; G392-C396 PolarHBondContact O-N 2.83Å; G392-C396 PolarHBondContact O-SG 2.99Å; G392-C396 VanDerWaalsContact O-SG 3.32Å; C396-S400 WeakPolarHBondContact O-CB 3.48Å; C396-S400 PolarHBondContact O-N 3.3Å; C396-P443 HydrophobicContact CB-CG 4.45Å
397R86.1Confident88.7Confident76 Ų7627.5 Ų27.529%0.28715%0.152SC..Hα-helixtrans-67.6-46.5176.8-170.5172.9176.9178.42.4111.7A393 Q394 L395 Q399 S400 Q401 P552A393-R397 WeakPolarHBondContact O-CB 3.49Å; A393-R397 PolarHBondContact O-N 2.89Å; Q394-R397 PolarHBondContact O-N 3.01Å; L395-R397 VanDerWaalsContact C-N 3.28Å; L395-R397 PolarHBondContact O-N 3.33Å; R397-Q399 VanDerWaalsContact C-N 3.34Å; R397-Q399 PolarHBondContact O-N 3.45Å; R397-S400 PolarHBondContact O-N 3Å; R397-Q401 HydrophobicContact CG-CG 4.37Å; R397-Q401 WeakPolarHBondContact O-CB 3.38Å; R397-Q401 WeakPolarHBondContact O-CG 3.42Å; R397-Q401 PolarHBondContact O-N 2.59Å; R397-P552 HydrophobicContact CB-CB 4.49Å; R397-P552 HydrophobicContact CB-CG 4.2Å; R397-P552 HydrophobicContact CG-CG 3.89Å
398A89.6Confident88.4Confident0 Ų032.3 Ų32.30%017%0.166CC..Hα-helixtrans-60.6-43.1176.800000111.6Q394 L395 Q401 L402 I428 P552 M553 V556Q394-A398 WeakPolarHBondContact O-CB 3.42Å; Q394-A398 PolarHBondContact O-N 3.23Å; L395-A398 PolarHBondContact O-N 2.85Å; A398-Q401 PolarHBondContact O-N 3.46Å; A398-L402 VanDerWaalsContact O-CB 3.24Å; A398-L402 WeakPolarHBondContact O-CB 3.09Å; A398-L402 PolarHBondContact O-N 3.04Å; A398-I428 HydrophobicContact CB-CD1 4.36Å; A398-P552 HydrophobicContact CB-CB 4Å; A398-M553 HydrophobicContact CB-SD 4.22Å; A398-V556 HydrophobicContact CB-CG2 4.02Å
399Q90.9Very high88Confident22 Ų2231.6 Ų31.610%0.10316%0.16CC..Hα-helixtrans-59-49.8175.9-169.5-80.6-15.200111.3L395 R397 L402 T403 L425 I428 E429 I432 V439L395-Q399 WeakPolarHBondContact O-CB 3.49Å; L395-Q399 PolarHBondContact O-N 3.4Å; R397-Q399 VanDerWaalsContact C-N 3.34Å; R397-Q399 PolarHBondContact O-N 3.45Å; Q399-L402 PolarHBondContact O-N 3.24Å; Q399-T403 PolarHBondContact NE2-OG1 3.05Å; Q399-T403 WeakPolarHBondContact O-CB 3.36Å; Q399-T403 PolarHBondContact O-N 3.25Å; Q399-T403 PolarHBondContact O-OG1 3.12Å; Q399-L425 HydrophobicContact CG-CD2 4.27Å; Q399-I428 HydrophobicContact CB-CG2 3.75Å; Q399-I428 HydrophobicContact CG-CG2 4.27Å; Q399-E429 HydrophobicContact CG-CG 4.36Å; Q399-I432 HydrophobicContact CB-CD1 4.2Å; Q399-I432 HydrophobicContact CG-CD1 4.39Å; Q399-V439 HydrophobicContact CG-CG1 3.95Å
400S88.3Confident87.5Confident15 Ų1532.5 Ų32.511%0.10516%0.162CC..Hα-helixtrans-65.1-44.3-178.1-179.10000111.3C396 R397 T403 Q404 H502C396-S400 WeakPolarHBondContact O-CB 3.48Å; C396-S400 PolarHBondContact O-N 3.3Å; R397-S400 PolarHBondContact O-N 3Å; S400-T403 PolarHBondContact O-N 3.09Å; S400-Q404 VanDerWaalsContact O-CG 3.29Å; S400-Q404 WeakPolarHBondContact O-CG 3.35Å; S400-Q404 PolarHBondContact O-N 3.24Å; S400-Q404 PolarHBondContact O-NE2 2.87Å; S400-Q404 PolarHBondContact OG-NE2 3.16Å; S400-H502 PolarHBondContact OG-CD2 3.23Å
401Q88.4Confident86.9Confident9 Ų940.2 Ų40.24%0.04220%0.203CC..Hα-helixtrans-60.7-49.3177.6-71.6172.8-2200111.2R397 A398 T403 Q404 Y405 L487 V491R397-Q401 HydrophobicContact CG-CG 4.37Å; R397-Q401 WeakPolarHBondContact O-CB 3.38Å; R397-Q401 WeakPolarHBondContact O-CG 3.42Å; R397-Q401 PolarHBondContact O-N 2.59Å; A398-Q401 PolarHBondContact O-N 3.46Å; Q401-T403 VanDerWaalsContact C-N 3.35Å; Q401-T403 PolarHBondContact O-N 3.02Å; Q401-Q404 PolarHBondContact O-N 3.3Å; Q401-Y405 WeakPolarHBondContact O-CB 3.47Å; Q401-Y405 PolarHBondContact O-N 3.42Å; Q401-L487 HydrophobicContact CB-CD1 4.16Å; Q401-L487 HydrophobicContact CB-CD2 3.93Å; Q401-L487 HydrophobicContact CB-CG 4.14Å; Q401-L487 WeakPolarHBondContact O-CD1 3.45Å; Q401-V491 HydrophobicContact CB-CG2 4.14Å; Q401-V491 HydrophobicContact CG-CG2 3.65Å
402L89.8Confident86.2Confident1 Ų144.4 Ų44.41%0.00522%0.215CC..Hα-helixtrans-67.6-35.1-177.5-174.161.9000112.2A398 Q399 Y405 A406 I421 I424 L425 I428 I483 L487 M553A398-L402 VanDerWaalsContact O-CB 3.24Å; A398-L402 WeakPolarHBondContact O-CB 3.09Å; A398-L402 PolarHBondContact O-N 3.04Å; Q399-L402 PolarHBondContact O-N 3.24Å; L402-Y405 PolarHBondContact O-N 2.83Å; L402-A406 WeakPolarHBondContact O-CB 3.3Å; L402-A406 PolarHBondContact O-N 3.25Å; L402-I421 HydrophobicContact CD1-CG2 3.88Å; L402-I421 HydrophobicContact CD2-CG2 4.38Å; L402-I421 HydrophobicContact CG-CG2 3.98Å; L402-I424 HydrophobicContact CD2-CB 3.96Å; L402-I424 HydrophobicContact CD2-CG2 3.45Å; L402-I424 VanDerWaalsContact CD2-CG2 3.45Å; L402-L425 HydrophobicContact CB-CD2 3.94Å; L402-L425 HydrophobicContact CD2-CD2 3.89Å; L402-L425 HydrophobicContact CD2-CG 3.83Å; L402-L425 HydrophobicContact CG-CD2 3.96Å; L402-L425 HydrophobicContact CG-CG 4.06Å; L402-I428 HydrophobicContact CD2-CD1 4.35Å; L402-I483 HydrophobicContact CD1-CG1 4.4Å; L402-L487 HydrophobicContact CB-CD2 4.15Å; L402-L487 HydrophobicContact CD1-CD2 4.36Å; L402-M553 HydrophobicContact CD2-SD 4.48Å
403T89.6Confident85.8Confident39 Ų3945.1 Ų45.124%0.23922%0.219CC..Hα-helixtrans-63.2-48.9174.4-57.20000110.8Q399 S400 Q401 Y405 A406 D407 L425Q399-T403 PolarHBondContact NE2-OG1 3.05Å; Q399-T403 WeakPolarHBondContact O-CB 3.36Å; Q399-T403 PolarHBondContact O-N 3.25Å; Q399-T403 PolarHBondContact O-OG1 3.12Å; S400-T403 PolarHBondContact O-N 3.09Å; Q401-T403 VanDerWaalsContact C-N 3.35Å; Q401-T403 PolarHBondContact O-N 3.02Å; T403-Y405 VanDerWaalsContact C-N 3.31Å; T403-Y405 PolarHBondContact O-N 3.29Å; T403-A406 PolarHBondContact O-N 2.93Å; T403-A406 VanDerWaalsContact O-N 3.16Å; T403-D407 PolarHBondContact O-N 3.44Å; T403-L425 WeakPolarHBondContact OG1-CD2 3.35Å
404Q86.9Confident85.4Confident45 Ų4548.5 Ų48.521%0.2123%0.226CC..Hα-helixtrans-62.2-38.8178.3-69.5175.554.100112.3S400 Q401 R408 F490S400-Q404 VanDerWaalsContact O-CG 3.29Å; S400-Q404 WeakPolarHBondContact O-CG 3.35Å; S400-Q404 PolarHBondContact O-N 3.24Å; S400-Q404 PolarHBondContact O-NE2 2.87Å; S400-Q404 PolarHBondContact OG-NE2 3.16Å; Q401-Q404 PolarHBondContact O-N 3.3Å; Q404-R408 VanDerWaalsContact O-CB 3.28Å; Q404-R408 WeakPolarHBondContact O-CB 3.21Å; Q404-R408 PolarHBondContact O-N 3.13Å; Q404-F490 HydrophobicContact CB-CE1 4.2Å; Q404-F490 HydrophobicContact CB-CZ 4.48Å
405Y87.4Confident85.1Confident0 Ų051.3 Ų51.30%025%0.253CS..Hα-helixtrans-62.5-46.7173.5179.9-90.9000111.7L175 V177 Q401 L402 T403 D407 R408 Y409 L413 I421 I483 L487 F490L175-Y405 WeakPolarHBondContact O-CE2 3.46Å; L175-Y405 PolarHBondContact O-OH 2.75Å; V177-Y405 HydrophobicContact CG2-CE1 4.05Å; V177-Y405 WeakPolarHBondContact CG2-OH 3.27Å; V177-Y405 PolarHBondContact N-OH 3.12Å; Q401-Y405 WeakPolarHBondContact O-CB 3.47Å; Q401-Y405 PolarHBondContact O-N 3.42Å; L402-Y405 PolarHBondContact O-N 2.83Å; T403-Y405 VanDerWaalsContact C-N 3.31Å; T403-Y405 PolarHBondContact O-N 3.29Å; Y405-D407 PolarHBondContact O-N 2.97Å; Y405-R408 PolarHBondContact O-N 3.1Å; Y405-Y409 HydrophobicContact CD1-CD2 4.44Å; Y405-Y409 AromaticContact CD2-CD2 3.58Å; Y405-Y409 HydrophobicContact CD2-CD2 3.58Å; Y405-Y409 AromaticContact CD2-CE2 3.63Å; Y405-Y409 HydrophobicContact CD2-CE2 3.63Å; Y405-Y409 HydrophobicContact CE1-CD2 4.32Å; Y405-Y409 AromaticContact CE2-CD2 3.43Å; Y405-Y409 HydrophobicContact CE2-CD2 3.43Å; Y405-Y409 VanDerWaalsContact CE2-CD2 3.43Å; Y405-Y409 AromaticContact CE2-CE2 3.47Å; Y405-Y409 HydrophobicContact CE2-CE2 3.47Å; Y405-Y409 VanDerWaalsContact CE2-CE2 3.47Å; Y405-Y409 HydrophobicContact CG-CD2 4.09Å; Y405-Y409 AromaticContact CZ-CD2 3.81Å; Y405-Y409 WeakPolarHBondContact O-CD2 3.18Å; Y405-Y409 PolarHBondContact O-N 3.38Å; Y405-L413 HydrophobicContact CE1-CD1 4.29Å; Y405-L413 HydrophobicContact CE1-CD2 4.48Å; Y405-I421 HydrophobicContact CD1-CD1 4.38Å; Y405-I421 HydrophobicContact CE1-CD1 4.11Å; Y405-I483 HydrophobicContact CD1-CD1 4.19Å; Y405-I483 HydrophobicContact CE1-CD1 3.67Å; Y405-L487 VanDerWaalsContact CB-CD1 3.48Å; Y405-L487 HydrophobicContact CD2-CD1 4.12Å; Y405-L487 HydrophobicContact CG-CD1 3.89Å; Y405-F490 HydrophobicContact CD2-CB 4.04Å; Y405-F490 HydrophobicContact CD2-CD1 4.4Å; Y405-F490 AromaticContact CD2-CD2 3.95Å; Y405-F490 HydrophobicContact CD2-CD2 3.95Å; Y405-F490 HydrophobicContact CD2-CE2 4.5Å; Y405-F490 AromaticContact CD2-CG 3.88Å; Y405-F490 HydrophobicContact CD2-CG 3.88Å
406A86.6Confident84.6Confident9 Ų957.1 Ų57.17%0.07428%0.279CS..Hα-helixtrans-62.3-42.2178.800000112L402 T403 K410 I421L402-A406 WeakPolarHBondContact O-CB 3.3Å; L402-A406 PolarHBondContact O-N 3.25Å; T403-A406 PolarHBondContact O-N 2.93Å; T403-A406 VanDerWaalsContact O-N 3.16Å; A406-K410 WeakPolarHBondContact O-CA 3.42Å; A406-K410 VanDerWaalsContact O-CB 3.27Å; A406-K410 WeakPolarHBondContact O-CB 3.36Å; A406-K410 PolarHBondContact O-N 3.42Å; A406-I421 HydrophobicContact CB-CG2 3.86Å
407D86.2Confident84.4Confident108 Ų10856.4 Ų56.458%0.57827%0.274SS*.Hα-helixtrans-68.8-42.8179.8-75.8-25.7000112T403 Y405 K410T403-D407 PolarHBondContact O-N 3.44Å; Y405-D407 PolarHBondContact O-N 2.97Å; D407-K410 WeakPolarHBondContact O-CB 3.36Å; D407-K410 PolarHBondContact O-N 2.88Å
408R83.2Confident84.5Confident127 Ų12754.4 Ų54.448%0.47927%0.268SS..Hα-helixtrans-69.2-40.5-178.8-177.9148.4176.9152.18.7112.9D172 Q404 Y405 F490 Y494D172-R408 IonicContact OD2-NH2 2.67Å; Q404-R408 VanDerWaalsContact O-CB 3.28Å; Q404-R408 WeakPolarHBondContact O-CB 3.21Å; Q404-R408 PolarHBondContact O-N 3.13Å; Y405-R408 PolarHBondContact O-N 3.1Å; R408-F490 HydrophobicContact CB-CE2 4.39Å; R408-F490 HydrophobicContact CB-CZ 4.48Å; R408-F490 HydrophobicContact CG-CE2 4.36Å; R408-Y494 PolarHBondContact NH2-OH 3.04Å
409Y82.7Confident84.4Confident4 Ų458.5 Ų58.52%0.01629%0.289CS..THydrogen-bonded Turntrans-97.711.3179.3-61.6-71.8000113.4L175 V176 Y405 N411 R412 L413 F490L175-Y409 HydrophobicContact CB-CE2 4.33Å; L175-Y409 WeakPolarHBondContact CB-OH 3.29Å; L175-Y409 WeakPolarHBondContact CD1-OH 3.35Å; V176-Y409 HydrophobicContact CG2-CD1 3.98Å; V176-Y409 HydrophobicContact CG2-CE1 4.14Å; Y405-Y409 HydrophobicContact CD1-CD2 4.44Å; Y405-Y409 AromaticContact CD2-CD2 3.58Å; Y405-Y409 HydrophobicContact CD2-CD2 3.58Å; Y405-Y409 AromaticContact CD2-CE2 3.63Å; Y405-Y409 HydrophobicContact CD2-CE2 3.63Å; Y405-Y409 HydrophobicContact CE1-CD2 4.32Å; Y405-Y409 AromaticContact CE2-CD2 3.43Å; Y405-Y409 HydrophobicContact CE2-CD2 3.43Å; Y405-Y409 VanDerWaalsContact CE2-CD2 3.43Å; Y405-Y409 AromaticContact CE2-CE2 3.47Å; Y405-Y409 HydrophobicContact CE2-CE2 3.47Å; Y405-Y409 VanDerWaalsContact CE2-CE2 3.47Å; Y405-Y409 HydrophobicContact CG-CD2 4.09Å; Y405-Y409 AromaticContact CZ-CD2 3.81Å; Y405-Y409 WeakPolarHBondContact O-CD2 3.18Å; Y405-Y409 PolarHBondContact O-N 3.38Å; Y409-N411 PolarHBondContact O-N 2.93Å; Y409-N411 VanDerWaalsContact O-N 3.08Å; Y409-R412 CarbonylContact O-C 3.51Å; Y409-R412 WeakPolarHBondContact O-CA 3.29Å; Y409-R412 PolarHBondContact O-N 2.61Å; Y409-L413 VanDerWaalsContact O-CG 3.29Å; Y409-L413 WeakPolarHBondContact O-CG 3.28Å; Y409-L413 PolarHBondContact O-N 2.99Å; Y409-F490 AromaticContact CE2-CD2 3.6Å; Y409-F490 HydrophobicContact CE2-CD2 3.6Å; Y409-F490 AromaticContact CE2-CE2 3.72Å; Y409-F490 HydrophobicContact CE2-CE2 3.72Å
410K79.6Confident84.4Confident119 Ų11958.4 Ų58.452%0.51729%0.287SS..THydrogen-bonded Turntrans-49.4-41.5-176.3-171.4176.4176.8-179.80113.7A406 D407A406-K410 WeakPolarHBondContact O-CA 3.42Å; A406-K410 VanDerWaalsContact O-CB 3.27Å; A406-K410 WeakPolarHBondContact O-CB 3.36Å; A406-K410 PolarHBondContact O-N 3.42Å; D407-K410 WeakPolarHBondContact O-CB 3.36Å; D407-K410 PolarHBondContact O-N 2.88Å
411N78.1Confident84.4Confident162 Ų16257.7 Ų57.787%0.86628%0.282SS*.THydrogen-bonded Turntrans-83.2-15.2-179.1-62.2-17.4000113.4Y409Y409-N411 PolarHBondContact O-N 2.93Å; Y409-N411 VanDerWaalsContact O-N 3.08Å
412R77.5Confident84.5Confident116 Ų11663.3 Ų63.344%0.43831%0.307SS..THydrogen-bonded Turntrans-100.4-18.9-179.3-66.4179.667.5-169.43.7112.6D172 V176 Y409D172-R412 PolarHBondContact O-NH1 2.71Å; D172-R412 PolarHBondContact O-NH2 3.06Å; V176-R412 VanDerWaalsContact CG2-NH2 3.31Å; Y409-R412 CarbonylContact O-C 3.51Å; Y409-R412 WeakPolarHBondContact O-CA 3.29Å; Y409-R412 PolarHBondContact O-N 2.61Å
413L79.2Confident84.6Confident16 Ų1666 Ų668%0.08432%0.319CS..SBendtrans-84.1131.4179.5-69.3167.4000110.9V177 Y405 Y409 N417 I421V177-L413 HydrophobicContact CB-CD2 4.04Å; V177-L413 HydrophobicContact CG2-CD2 3.87Å; Y405-L413 HydrophobicContact CE1-CD1 4.29Å; Y405-L413 HydrophobicContact CE1-CD2 4.48Å; Y409-L413 VanDerWaalsContact O-CG 3.29Å; Y409-L413 WeakPolarHBondContact O-CG 3.28Å; Y409-L413 PolarHBondContact O-N 2.99Å; L413-N417 HydrophobicContact CD2-CB 4.43Å; L413-I421 HydrophobicContact CD1-CD1 3.87Å; L413-I421 HydrophobicContact CD2-CD1 4.47Å
414K77.9Confident84.7Confident108 Ų10864.1 Ų64.147%0.4731%0.308SS..  trans-61.9150.2169.8-68.7-174.6172.6-1740110.6E179 K416 N417 L418E179-K414 HydrophobicContact CG-CD 4.34Å; E179-K414 IonicContact OE1-NZ 2.83Å; E179-K414 PolarHBondContact OE1-NZ 3.23Å; E179-K414 IonicContact OE2-NZ 2.81Å; E179-K414 PolarHBondContact OE2-NZ 3.42Å; K414-K416 PolarHBondContact O-N 3.14Å; K414-K416 VanDerWaalsContact O-N 3.13Å; K414-N417 PolarHBondContact O-N 3.34Å; K414-L418 PolarHBondContact O-N 3.04Å
415A81.1Confident84.9Confident83 Ų8362.9 Ų62.969%0.68630%0.303SS*.Hα-helixtrans-54.1-36.7-17700000113.7L418 M419A415-L418 PolarHBondContact O-N 2.84Å; A415-M419 WeakPolarHBondContact O-CB 3.47Å; A415-M419 PolarHBondContact O-N 3.36Å
416K80.4Confident85.2Confident123 Ų12366.9 Ų66.954%0.53532%0.32SS..Hα-helixtrans-64.9-46.6176.1-69-176.2179176.50112.8K414 L418 M419 Y420K414-K416 PolarHBondContact O-N 3.14Å; K414-K416 VanDerWaalsContact O-N 3.13Å; K416-L418 VanDerWaalsContact C-N 3.31Å; K416-L418 PolarHBondContact O-N 3.07Å; K416-M419 WeakPolarHBondContact O-CB 3.38Å; K416-M419 PolarHBondContact O-N 3.08Å; K416-Y420 VanDerWaalsContact O-CD2 3.23Å; K416-Y420 WeakPolarHBondContact O-CD2 3.26Å; K416-Y420 PolarHBondContact O-N 2.89Å
417N83.8Confident85.4Confident3 Ų366.5 Ų66.52%0.01632%0.317CS..Hα-helixtrans-64.5-39.3177.5-71.2-6.8000110.6A178 Y180 L413 K414 Y420 I421A178-N417 PolarHBondContact O-ND2 2.93Å; A178-N417 VanDerWaalsContact O-ND2 3.13Å; Y180-N417 WeakPolarHBondContact CB-OD1 3.35Å; L413-N417 HydrophobicContact CD2-CB 4.43Å; K414-N417 PolarHBondContact O-N 3.34Å; N417-Y420 PolarHBondContact O-N 3.39Å; N417-I421 WeakPolarHBondContact O-CB 3.45Å; N417-I421 VanDerWaalsContact O-CG1 3.26Å; N417-I421 WeakPolarHBondContact O-CG1 3.42Å; N417-I421 PolarHBondContact O-N 3.37Å
418L86.4Confident85.7Confident33 Ų3361.3 Ų61.317%0.17329%0.289CS..Hα-helixtrans-64.2-39.5174.9-173.164.4000112.2K414 A415 K416 I421 K422K414-L418 PolarHBondContact O-N 3.04Å; A415-L418 PolarHBondContact O-N 2.84Å; K416-L418 VanDerWaalsContact C-N 3.31Å; K416-L418 PolarHBondContact O-N 3.07Å; L418-I421 PolarHBondContact O-N 2.92Å; L418-K422 HydrophobicContact CG-CD 4.49Å; L418-K422 WeakPolarHBondContact O-CB 3.5Å; L418-K422 VanDerWaalsContact O-CG 3.31Å; L418-K422 WeakPolarHBondContact O-CG 3.46Å; L418-K422 PolarHBondContact O-N 3.21Å
419M89Confident86Confident87 Ų8758.2 Ų58.243%0.42928%0.28SS..Hα-helixtrans-60.1-49.3174.6-177.6-167.576.900111.3A415 K416 K422 Q423A415-M419 WeakPolarHBondContact O-CB 3.47Å; A415-M419 PolarHBondContact O-N 3.36Å; K416-M419 WeakPolarHBondContact O-CB 3.38Å; K416-M419 PolarHBondContact O-N 3.08Å; M419-K422 PolarHBondContact O-N 3.09Å; M419-Q423 WeakPolarHBondContact O-CG 3.39Å; M419-Q423 PolarHBondContact O-N 2.89Å
420Y89.6Confident86.3Confident19 Ų1958 Ų588%0.07528%0.279CS..Hα-helixtrans-64.9-40.6178.4-74.9-61.2000112.6Y180 K416 N417 K422 Q423 I424 L474 Y477Y180-Y420 HydrophobicContact CD1-CD2 4.23Å; Y180-Y420 AromaticContact CD1-CE2 3.55Å; Y180-Y420 HydrophobicContact CD1-CE2 3.55Å; Y180-Y420 HydrophobicContact CE1-CD2 4.45Å; Y180-Y420 AromaticContact CE1-CE2 3.49Å; Y180-Y420 HydrophobicContact CE1-CE2 3.49Å; Y180-Y420 VanDerWaalsContact CE1-CE2 3.49Å; Y180-Y420 AromaticContact CE1-CZ 3.79Å; K416-Y420 VanDerWaalsContact O-CD2 3.23Å; K416-Y420 WeakPolarHBondContact O-CD2 3.26Å; K416-Y420 PolarHBondContact O-N 2.89Å; N417-Y420 PolarHBondContact O-N 3.39Å; Y420-K422 VanDerWaalsContact C-N 3.32Å; Y420-K422 PolarHBondContact O-N 2.82Å; Y420-Q423 WeakPolarHBondContact O-CB 3.44Å; Y420-Q423 PolarHBondContact O-N 3.01Å; Y420-I424 VanDerWaalsContact O-CG1 3.3Å; Y420-I424 WeakPolarHBondContact O-CG1 3.46Å; Y420-I424 PolarHBondContact O-N 2.95Å; Y420-L474 HydrophobicContact CD1-CD2 3.81Å; Y420-Y477 HydrophobicContact CD1-CG 4.43Å; Y420-Y477 AromaticContact CD2-CD2 3.6Å; Y420-Y477 HydrophobicContact CD2-CD2 3.6Å; Y420-Y477 AromaticContact CD2-CE2 3.89Å; Y420-Y477 HydrophobicContact CD2-CE2 3.89Å; Y420-Y477 HydrophobicContact CD2-CG 4.11Å; Y420-Y477 HydrophobicContact CE2-CD2 4.27Å; Y420-Y477 HydrophobicContact CG-CD1 4.3Å; Y420-Y477 AromaticContact CG-CD2 3.85Å; Y420-Y477 HydrophobicContact CG-CD2 3.85Å; Y420-Y477 HydrophobicContact CG-CE2 4.21Å; Y420-Y477 AromaticContact CG-CG 3.9Å; Y420-Y477 HydrophobicContact CG-CG 3.9Å
421I89.5Confident86.8Confident0 Ų052.4 Ų52.40%026%0.255CS..Hα-helixtrans-60.8-42.6174.5-71.4165.7000111L402 Y405 A406 L413 N417 L418 I424 L425L402-I421 HydrophobicContact CD1-CG2 3.88Å; L402-I421 HydrophobicContact CD2-CG2 4.38Å; L402-I421 HydrophobicContact CG-CG2 3.98Å; Y405-I421 HydrophobicContact CD1-CD1 4.38Å; Y405-I421 HydrophobicContact CE1-CD1 4.11Å; A406-I421 HydrophobicContact CB-CG2 3.86Å; L413-I421 HydrophobicContact CD1-CD1 3.87Å; L413-I421 HydrophobicContact CD2-CD1 4.47Å; N417-I421 WeakPolarHBondContact O-CB 3.45Å; N417-I421 VanDerWaalsContact O-CG1 3.26Å; N417-I421 WeakPolarHBondContact O-CG1 3.42Å; N417-I421 PolarHBondContact O-N 3.37Å; L418-I421 PolarHBondContact O-N 2.92Å; I421-I424 PolarHBondContact O-N 2.67Å; I421-L425 HydrophobicContact CG2-CD1 4.32Å; I421-L425 WeakPolarHBondContact O-CG 3.45Å; I421-L425 PolarHBondContact O-N 3.24Å
422K90.3Very high87.4Confident127 Ų12744.7 Ų44.755%0.55221%0.214SC*.Hα-helixtrans-64.4-38174.8-76.1-179.2175.9-173.60112.7L418 M419 Y420 L425 F426L418-K422 HydrophobicContact CG-CD 4.49Å; L418-K422 WeakPolarHBondContact O-CB 3.5Å; L418-K422 VanDerWaalsContact O-CG 3.31Å; L418-K422 WeakPolarHBondContact O-CG 3.46Å; L418-K422 PolarHBondContact O-N 3.21Å; M419-K422 PolarHBondContact O-N 3.09Å; Y420-K422 VanDerWaalsContact C-N 3.32Å; Y420-K422 PolarHBondContact O-N 2.82Å; K422-L425 PolarHBondContact O-N 2.63Å; K422-F426 WeakPolarHBondContact O-CB 3.41Å; K422-F426 PolarHBondContact O-N 3.12Å
423Q91.9Very high87.9Confident58 Ų5844.2 Ų44.227%0.27121%0.212SC..Hα-helixtrans-63.3-43.2173.4-74.2176.7-9.500111.4M419 Y420 F426 V427 I469 L474M419-Q423 WeakPolarHBondContact O-CG 3.39Å; M419-Q423 PolarHBondContact O-N 2.89Å; Y420-Q423 WeakPolarHBondContact O-CB 3.44Å; Y420-Q423 PolarHBondContact O-N 3.01Å; Q423-F426 PolarHBondContact O-N 3.06Å; Q423-V427 WeakPolarHBondContact O-CG2 3.45Å; Q423-V427 PolarHBondContact O-N 3.19Å; Q423-I469 HydrophobicContact CB-CD1 4.44Å; Q423-L474 HydrophobicContact CB-CD2 4.04Å
424I91.7Very high88.3Confident0 Ų043.9 Ų43.90%021%0.21CC..Hα-helixtrans-60.8-46.7175.6-65.6163.2000110.5L402 Y420 I421 F426 V427 I428 L474 Y477 F478 M553 F560L402-I424 HydrophobicContact CD2-CB 3.96Å; L402-I424 HydrophobicContact CD2-CG2 3.45Å; L402-I424 VanDerWaalsContact CD2-CG2 3.45Å; Y420-I424 VanDerWaalsContact O-CG1 3.3Å; Y420-I424 WeakPolarHBondContact O-CG1 3.46Å; Y420-I424 PolarHBondContact O-N 2.95Å; I421-I424 PolarHBondContact O-N 2.67Å; I424-F426 PolarHBondContact O-N 2.83Å; I424-V427 PolarHBondContact O-N 3.48Å; I424-I428 HydrophobicContact CG2-CD1 3.84Å; I424-I428 HydrophobicContact CG2-CG1 4.41Å; I424-I428 WeakPolarHBondContact O-CG1 3.43Å; I424-I428 PolarHBondContact O-N 3Å; I424-L474 HydrophobicContact CG1-CD2 3.94Å; I424-Y477 HydrophobicContact CD1-CD1 4.04Å; I424-Y477 HydrophobicContact CD1-CE1 4.06Å; I424-F478 HydrophobicContact CD1-CE1 4.06Å; I424-F478 HydrophobicContact CD1-CE2 3.83Å; I424-F478 HydrophobicContact CD1-CZ 3.51Å; I424-F478 HydrophobicContact CG1-CE2 3.9Å; I424-F478 HydrophobicContact CG1-CZ 3.78Å; I424-F478 HydrophobicContact CG2-CZ 3.88Å; I424-M553 HydrophobicContact CG2-CE 3.72Å; I424-F560 HydrophobicContact CG2-CE2 4.5Å
425L91.6Very high88.7Confident19 Ų1938.7 Ų38.710%0.09919%0.188CC..Hα-helixtrans-56.6-49.1175.3-76.4169.4000111.1Q399 L402 T403 I421 K422 V427 I428 E429Q399-L425 HydrophobicContact CG-CD2 4.27Å; L402-L425 HydrophobicContact CB-CD2 3.94Å; L402-L425 HydrophobicContact CD2-CD2 3.89Å; L402-L425 HydrophobicContact CD2-CG 3.83Å; L402-L425 HydrophobicContact CG-CD2 3.96Å; L402-L425 HydrophobicContact CG-CG 4.06Å; T403-L425 WeakPolarHBondContact OG1-CD2 3.35Å; I421-L425 HydrophobicContact CG2-CD1 4.32Å; I421-L425 WeakPolarHBondContact O-CG 3.45Å; I421-L425 PolarHBondContact O-N 3.24Å; K422-L425 PolarHBondContact O-N 2.63Å; L425-V427 VanDerWaalsContact C-N 3.29Å; L425-V427 PolarHBondContact O-N 3.39Å; L425-I428 PolarHBondContact O-N 2.96Å; L425-I428 VanDerWaalsContact O-N 3.13Å; L425-E429 WeakPolarHBondContact O-CB 3.47Å; L425-E429 VanDerWaalsContact O-CG 3.23Å; L425-E429 WeakPolarHBondContact O-CG 3.41Å; L425-E429 PolarHBondContact O-N 2.75Å
426F92.1Very high88.6Confident84 Ų8437.1 Ų37.137%0.36818%0.179SC..Hα-helixtrans-57.6-40.6178.3-180-90.5000112.7K422 Q423 I424 E429 G430 Q465 I466 I469K422-F426 WeakPolarHBondContact O-CB 3.41Å; K422-F426 PolarHBondContact O-N 3.12Å; Q423-F426 PolarHBondContact O-N 3.06Å; I424-F426 PolarHBondContact O-N 2.83Å; F426-E429 PolarHBondContact O-N 3.22Å; F426-G430 PolarHBondContact O-N 2.86Å; F426-Q465 VanDerWaalsContact CE1-O 3.23Å; F426-Q465 WeakPolarHBondContact CE1-O 3.23Å; F426-Q465 WeakPolarHBondContact CZ-O 3.49Å; F426-I466 HydrophobicContact CD1-CG2 4.34Å; F426-I466 HydrophobicContact CE1-CG2 4.16Å; F426-I469 HydrophobicContact CD1-CD1 3.4Å; F426-I469 VanDerWaalsContact CD1-CD1 3.4Å; F426-I469 HydrophobicContact CE1-CD1 3.99Å; F426-I469 HydrophobicContact CG-CD1 4.32Å
427V92Very high88.6Confident0 Ų031.5 Ų31.50%016%0.156CC..Hα-helixtrans-64.8-48.1175.6178.60000110.9Q423 I424 L425 E429 G430 L431 I466 I469 L474 F560Q423-V427 WeakPolarHBondContact O-CG2 3.45Å; Q423-V427 PolarHBondContact O-N 3.19Å; I424-V427 PolarHBondContact O-N 3.48Å; L425-V427 VanDerWaalsContact C-N 3.29Å; L425-V427 PolarHBondContact O-N 3.39Å; V427-E429 VanDerWaalsContact C-N 3.28Å; V427-E429 PolarHBondContact O-N 3.43Å; V427-G430 WeakPolarHBondContact O-CA 3.21Å; V427-G430 PolarHBondContact O-N 3.28Å; V427-G430 VanDerWaalsContact O-N 3.08Å; V427-L431 WeakPolarHBondContact O-CG 3.34Å; V427-L431 PolarHBondContact O-N 3.43Å; V427-I466 HydrophobicContact CB-CG2 4.37Å; V427-I466 HydrophobicContact CG1-CD1 4.01Å; V427-I466 HydrophobicContact CG1-CG2 4.32Å; V427-I466 HydrophobicContact CG2-CB 4.43Å; V427-I466 HydrophobicContact CG2-CG2 4.19Å; V427-I469 HydrophobicContact CG2-CD1 3.61Å; V427-I469 HydrophobicContact CG2-CG2 4.21Å; V427-L474 HydrophobicContact CG2-CD1 4.19Å; V427-F560 HydrophobicContact CB-CE1 4.49Å; V427-F560 HydrophobicContact CB-CE2 4.2Å; V427-F560 HydrophobicContact CB-CZ 3.68Å; V427-F560 HydrophobicContact CG1-CE1 3.57Å; V427-F560 HydrophobicContact CG1-CE2 3.99Å; V427-F560 HydrophobicContact CG1-CZ 3.22Å
428I91.4Very high88.3Confident0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-58.9-41.5178.3-65.3169.3000110.9L395 A398 Q399 L402 I424 L425 G430 L431 I432 M553 V556L395-I428 HydrophobicContact CB-CG2 4.49Å; L395-I428 HydrophobicContact CD2-CG2 4.16Å; A398-I428 HydrophobicContact CB-CD1 4.36Å; Q399-I428 HydrophobicContact CB-CG2 3.75Å; Q399-I428 HydrophobicContact CG-CG2 4.27Å; L402-I428 HydrophobicContact CD2-CD1 4.35Å; I424-I428 HydrophobicContact CG2-CD1 3.84Å; I424-I428 HydrophobicContact CG2-CG1 4.41Å; I424-I428 WeakPolarHBondContact O-CG1 3.43Å; I424-I428 PolarHBondContact O-N 3Å; L425-I428 PolarHBondContact O-N 2.96Å; L425-I428 VanDerWaalsContact O-N 3.13Å; I428-G430 VanDerWaalsContact C-N 3.35Å; I428-L431 WeakPolarHBondContact O-CB 3.5Å; I428-L431 PolarHBondContact O-N 3.22Å; I428-I432 HydrophobicContact CG2-CD1 4.02Å; I428-I432 WeakPolarHBondContact O-CG1 3.31Å; I428-I432 PolarHBondContact O-N 3.2Å; I428-M553 HydrophobicContact CD1-CE 4.21Å; I428-M553 HydrophobicContact CD1-SD 4.27Å; I428-V556 HydrophobicContact CD1-CG1 4.3Å; I428-V556 HydrophobicContact CG1-CG1 4.12Å
429E90.8Very high87.8Confident62 Ų6239 Ų3929%0.2919%0.192SC..Hα-helixtrans-65.1-37176-66.9177.6177.800112.3Q399 L425 F426 V427 I432 R433 V439Q399-E429 HydrophobicContact CG-CG 4.36Å; L425-E429 WeakPolarHBondContact O-CB 3.47Å; L425-E429 VanDerWaalsContact O-CG 3.23Å; L425-E429 WeakPolarHBondContact O-CG 3.41Å; L425-E429 PolarHBondContact O-N 2.75Å; F426-E429 PolarHBondContact O-N 3.22Å; V427-E429 VanDerWaalsContact C-N 3.28Å; V427-E429 PolarHBondContact O-N 3.43Å; E429-I432 PolarHBondContact O-N 3.35Å; E429-R433 WeakPolarHBondContact O-CB 3.1Å; E429-R433 VanDerWaalsContact O-CG 3.32Å; E429-R433 WeakPolarHBondContact O-CG 3.39Å; E429-R433 PolarHBondContact O-N 2.91Å; E429-R433 PolarHBondContact O-NE 3.29Å; E429-V439 HydrophobicContact CB-CG2 3.99Å; E429-V439 HydrophobicContact CG-CG1 4.31Å; E429-V439 HydrophobicContact CG-CG2 3.71Å
430G88.6Confident86.7Confident0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-58.7-45.1169.500000112.4F426 V427 I428 R433 V434F426-G430 PolarHBondContact O-N 2.86Å; V427-G430 WeakPolarHBondContact O-CA 3.21Å; V427-G430 PolarHBondContact O-N 3.28Å; V427-G430 VanDerWaalsContact O-N 3.08Å; I428-G430 VanDerWaalsContact C-N 3.35Å; G430-R433 PolarHBondContact O-N 2.68Å; G430-V434 WeakPolarHBondContact O-CG2 3.47Å; G430-V434 PolarHBondContact O-N 3.27Å
431L90.8Very high85.7Confident0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-63.4-44.2177.7-60.7179.5000112.2L390 L395 V427 I428 R433 V434 L435 F460 F559 F560L390-L431 HydrophobicContact CD1-CD1 4.35Å; L395-L431 HydrophobicContact CD1-CB 3.91Å; L395-L431 HydrophobicContact CD2-CB 4.09Å; L395-L431 HydrophobicContact CD2-CD1 3.72Å; V427-L431 WeakPolarHBondContact O-CG 3.34Å; V427-L431 PolarHBondContact O-N 3.43Å; I428-L431 WeakPolarHBondContact O-CB 3.5Å; I428-L431 PolarHBondContact O-N 3.22Å; L431-R433 VanDerWaalsContact C-N 3.33Å; L431-R433 PolarHBondContact O-N 3.33Å; L431-V434 PolarHBondContact O-N 3.08Å; L431-L435 PolarHBondContact O-N 2.98Å; L431-L435 VanDerWaalsContact O-N 3.15Å; L431-F460 HydrophobicContact CD2-CE1 3.81Å; L431-F460 HydrophobicContact CD2-CZ 3.41Å; L431-F460 VanDerWaalsContact CD2-CZ 3.41Å; L431-F559 HydrophobicContact CD1-CD1 4.28Å; L431-F559 HydrophobicContact CD1-CE1 4.19Å; L431-F559 HydrophobicContact CD2-CE1 4.15Å; L431-F560 HydrophobicContact CD1-CE1 4.11Å
432I88.9Confident84.8Confident1 Ų144.2 Ų44.21%0.00524%0.235CC..Hα-helixtrans-61-43.2176.4-67.3167.4000110.6L395 Q399 I428 E429 V434 L435 G436 G437 V439 L580L395-I432 HydrophobicContact CB-CD1 4.33Å; L395-I432 HydrophobicContact CB-CG1 3.87Å; Q399-I432 HydrophobicContact CB-CD1 4.2Å; Q399-I432 HydrophobicContact CG-CD1 4.39Å; I428-I432 HydrophobicContact CG2-CD1 4.02Å; I428-I432 WeakPolarHBondContact O-CG1 3.31Å; I428-I432 PolarHBondContact O-N 3.2Å; E429-I432 PolarHBondContact O-N 3.35Å; I432-V434 PolarHBondContact O-N 3.45Å; I432-L435 PolarHBondContact O-N 2.87Å; I432-G436 PolarHBondContact O-N 3.32Å; I432-G437 WeakPolarHBondContact O-CA 3.08Å; I432-G437 PolarHBondContact O-N 2.97Å; I432-V439 HydrophobicContact CB-CG2 4.49Å; I432-V439 HydrophobicContact CD1-CG2 4.3Å; I432-V439 HydrophobicContact CG2-CG2 4.28Å; I432-L580 HydrophobicContact CG2-CD2 4.4Å
433R88.6Confident83.7Confident105 Ų10538.9 Ų38.940%0.39621%0.214SC..Hα-helixtrans-61.1-41.9177-77.9-176.1-73.7153.3-3.6112.2E429 G430 L431 L435 G436E429-R433 WeakPolarHBondContact O-CB 3.1Å; E429-R433 VanDerWaalsContact O-CG 3.32Å; E429-R433 WeakPolarHBondContact O-CG 3.39Å; E429-R433 PolarHBondContact O-N 2.91Å; E429-R433 PolarHBondContact O-NE 3.29Å; G430-R433 PolarHBondContact O-N 2.68Å; L431-R433 VanDerWaalsContact C-N 3.33Å; L431-R433 PolarHBondContact O-N 3.33Å; R433-L435 VanDerWaalsContact C-N 3.31Å; R433-L435 PolarHBondContact O-N 3.31Å; R433-G436 WeakPolarHBondContact O-CA 3.36Å; R433-G436 PolarHBondContact O-N 3.29Å
434V87.8Confident82.7Confident9 Ų941.8 Ų41.86%0.05523%0.227CC..Hα-helixtrans-66.6-33.1179.6170.70000112.5G430 L431 I432 G436 F460 K463 A464 L574 K576G430-V434 WeakPolarHBondContact O-CG2 3.47Å; G430-V434 PolarHBondContact O-N 3.27Å; L431-V434 PolarHBondContact O-N 3.08Å; I432-V434 PolarHBondContact O-N 3.45Å; V434-G436 PolarHBondContact O-N 3.2Å; V434-F460 HydrophobicContact CG1-CE2 3.97Å; V434-K463 HydrophobicContact CG1-CD 4.48Å; V434-K463 HydrophobicContact CG2-CG 4.3Å; V434-A464 HydrophobicContact CG2-CB 3.78Å; V434-L574 HydrophobicContact CG1-CD1 3.24Å; V434-L574 HydrophobicContact CG1-CD2 3.91Å; V434-L574 HydrophobicContact CG1-CG 4.23Å; V434-K576 WeakPolarHBondContact O-CE 3.32Å; V434-K576 PolarHBondContact O-NZ 2.76Å; V434-K576 VanDerWaalsContact O-NZ 3.12Å
435L86.3Confident81.5Confident0 Ų045.8 Ų45.80%026%0.255CS..THydrogen-bonded Turntrans-70.4-8.7170.7-70.2-179.3000113.5L395 L431 I432 R433 T448 L580 V585L395-L435 HydrophobicContact CD1-CD1 3.78Å; L431-L435 PolarHBondContact O-N 2.98Å; L431-L435 VanDerWaalsContact O-N 3.15Å; I432-L435 PolarHBondContact O-N 2.87Å; R433-L435 VanDerWaalsContact C-N 3.31Å; R433-L435 PolarHBondContact O-N 3.31Å; L435-T448 VanDerWaalsContact O-CG2 3.26Å; L435-T448 WeakPolarHBondContact O-CG2 3.37Å; L435-L580 HydrophobicContact CB-CD1 3.55Å; L435-L580 HydrophobicContact CD1-CD1 4.18Å; L435-V585 HydrophobicContact CD1-CG2 3.99Å; L435-V585 HydrophobicContact CD2-CG2 3.5Å; L435-V585 VanDerWaalsContact CD2-CG2 3.5Å; L435-V585 HydrophobicContact CG-CG2 3.72Å
436G79.6Confident80.7Confident49 Ų4945.5 Ų45.551%0.50525%0.253SS..THydrogen-bonded Turntrans89.311.8-177.800000113.7I432 R433 V434I432-G436 PolarHBondContact O-N 3.32Å; R433-G436 WeakPolarHBondContact O-CA 3.36Å; R433-G436 PolarHBondContact O-N 3.29Å; V434-G436 PolarHBondContact O-N 3.2Å
437G79.8Confident79.8Confident5 Ų547.6 Ų47.65%0.05227%0.273CS..  trans-91.6157.2178.600000114I432 Q446I432-G437 WeakPolarHBondContact O-CA 3.08Å; I432-G437 PolarHBondContact O-N 2.97Å; G437-Q446 VanDerWaalsContact CA-OE1 3.22Å
438K78.1Confident78.9Confident141 Ų14148.4 Ų48.461%0.61328%0.278SS*.  trans-107.2135.9166-66.9-177.8-178.5178.20109.8Q446K438-Q446 PolarHBondContact O-NE2 3.16Å; K438-Q446 PolarHBondContact O-OE1 3.4Å
439V75.8Confident78.1Confident52 Ų5256.9 Ų56.932%0.31532%0.318SS..THydrogen-bonded Turntrans-66.2138.4178.5-175.90000109.5Q399 E429 I432Q399-V439 HydrophobicContact CG-CG1 3.95Å; E429-V439 HydrophobicContact CB-CG2 3.99Å; E429-V439 HydrophobicContact CG-CG1 4.31Å; E429-V439 HydrophobicContact CG-CG2 3.71Å; I432-V439 HydrophobicContact CB-CG2 4.49Å; I432-V439 HydrophobicContact CD1-CG2 4.3Å; I432-V439 HydrophobicContact CG2-CG2 4.28Å
440G65Low77.6Confident67 Ų6758 Ų5869%0.69134%0.338SS*.THydrogen-bonded Turntrans83.22.3177.600000116.2
441Q69.2Low77.3Confident103 Ų10359.6 Ų59.648%0.48135%0.354SS..SBendtrans-105155.1172.2-66.9-175.14.900111.1Q446Q441-Q446 HydrophobicContact CB-CG 4.23Å; Q441-Q446 VanDerWaalsContact CB-NE2 3.31Å; Q441-Q446 PolarHBondContact O-NE2 3.11Å; Q441-Q446 VanDerWaalsContact O-NE2 3.09Å
442N69.9Low77.1Confident46 Ų4663.2 Ų63.225%0.24638%0.376CS..  trans-63.3125.6-178.5-173.3-17.3000109.8Q444 S445 Q446N442-Q444 PolarHBondContact O-N 3.28Å; N442-Q444 PolarHBondContact OD1-N 2.87Å; N442-Q444 VanDerWaalsContact OD1-N 3.1Å; N442-S445 PolarHBondContact O-N 2.85Å; N442-S445 VanDerWaalsContact O-N 3.14Å; N442-S445 PolarHBondContact O-OG 3.29Å; N442-Q446 WeakPolarHBondContact O-CG 3.44Å; N442-Q446 PolarHBondContact O-NE2 2.82Å
443P68.9Low77Confident16 Ų1666.4 Ų66.410%0.10439%0.391CS..THydrogen-bonded Turntrans-61.6-24.3-179.422.7-33.8000113.7C396 L580 S581C396-P443 HydrophobicContact CB-CG 4.45Å; P443-L580 HydrophobicContact CB-CD2 4.32Å; P443-L580 WeakPolarHBondContact O-CB 3.26Å; P443-S581 PolarHBondContact O-N 2.61Å
444Q69.4Low77Confident119 Ų11963.8 Ų63.856%0.55638%0.384SS*.THydrogen-bonded Turntrans-79-23.6177.5-67.6172.5-17.700113.1N442N442-Q444 PolarHBondContact O-N 3.28Å; N442-Q444 PolarHBondContact OD1-N 2.87Å; N442-Q444 VanDerWaalsContact OD1-N 3.1Å
445S66Low77.1Confident83 Ų8366 Ų6658%0.5839%0.392SS*.SBendtrans-90.8-3.6-17967.50000113.4N442N442-S445 PolarHBondContact O-N 2.85Å; N442-S445 VanDerWaalsContact O-N 3.14Å; N442-S445 PolarHBondContact O-OG 3.29Å
446Q74.9Confident77.3Confident14 Ų1467.7 Ų67.77%0.06540%0.402CS..  trans-100.7107-176.6-68.6-179.76600109.8G437 K438 Q441 N442 T579 L580G437-Q446 VanDerWaalsContact CA-OE1 3.22Å; K438-Q446 PolarHBondContact O-NE2 3.16Å; K438-Q446 PolarHBondContact O-OE1 3.4Å; Q441-Q446 HydrophobicContact CB-CG 4.23Å; Q441-Q446 VanDerWaalsContact CB-NE2 3.31Å; Q441-Q446 PolarHBondContact O-NE2 3.11Å; Q441-Q446 VanDerWaalsContact O-NE2 3.09Å; N442-Q446 WeakPolarHBondContact O-CG 3.44Å; N442-Q446 PolarHBondContact O-NE2 2.82Å; Q446-T579 WeakPolarHBondContact O-CA 3.35Å; Q446-L580 HydrophobicContact CB-CB 4.04Å; Q446-L580 PolarHBondContact O-N 3.37Å
447T74.1Confident77.8Confident127 Ų12765.5 Ų65.578%0.77938%0.379SS*.BIsolated β-bridgetrans-78.5133.9176.438.20000111.1G578T447-G578 VanDerWaalsContact CA-O 3.32Å; T447-G578 WeakPolarHBondContact CA-O 3.35Å
448T73.4Confident78.3Confident18 Ų1869 Ų6911%0.1140%0.396CS..  trans-118.1150.7179.343.10000109.9L435 A450 Q577 G578 T579 L580 S583L435-T448 VanDerWaalsContact O-CG2 3.26Å; L435-T448 WeakPolarHBondContact O-CG2 3.37Å; T448-A450 PolarHBondContact O-N 2.89Å; T448-Q577 CarbonylContact C-O 3.25Å; T448-Q577 WeakPolarHBondContact CB-O 3.36Å; T448-Q577 VanDerWaalsContact O-O 3.1Å; T448-Q577 PolarHBondContact OG1-O 3.43Å; T448-G578 PolarHBondContact N-O 2.9Å; T448-G578 VanDerWaalsContact N-O 3.08Å; T448-T579 PolarHBondContact OG1-O 3.38Å; T448-L580 HydrophobicContact CG2-CB 4.43Å; T448-S583 PolarHBondContact OG1-OG 3.39Å
449Q74.8Confident78.9Confident178 Ų17866.7 Ų66.783%0.83239%0.391SS*.  trans-74.2123.3173.9-71.2-177.2-800109.2G451 K576Q449-G451 PolarHBondContact O-N 2.87Å; Q449-K576 WeakPolarHBondContact O-CB 3.4Å
450A78.9Confident79.6Confident86 Ų8664.2 Ų64.271%0.71138%0.376SS*.  trans-64.5126.8179.800000110.7T448 K576T448-A450 PolarHBondContact O-N 2.89Å; A450-K576 VanDerWaalsContact CA-O 3.3Å; A450-K576 WeakPolarHBondContact CA-O 3.4Å
451G82.6Confident80.8Confident32 Ų3262.3 Ų62.333%0.3335%0.349SS..EExtended strand (participates in β ladder)trans179.5152-178.200000112.2Q449 K576Q449-G451 PolarHBondContact O-N 2.87Å; G451-K576 PolarHBondContact N-O 2.93Å; G451-K576 PolarHBondContact O-N 3.23Å
452T86.3Confident81.8Confident76 Ų7663.4 Ų63.447%0.46635%0.353SS..EExtended strand (participates in β ladder)trans-115.9122.6172.2-53.40000109.5V573 L574 Q575 P797T452-V573 HydrophobicContact CG2-CG1 3.75Å; T452-L574 VanDerWaalsContact CA-O 3.29Å; T452-L574 WeakPolarHBondContact CA-O 3.47Å; T452-Q575 HydrophobicContact CG2-CG 4.2Å; T452-P797 HydrophobicContact CG2-CB 4.29Å; T452-P797 HydrophobicContact CG2-CG 3.69Å
453E88.1Confident82.7Confident68 Ų6864.8 Ų64.832%0.31836%0.357SS..EExtended strand (participates in β ladder)trans-119.2146.4177.6-59.7176.1153.100109.6Y455 K463 L574 K576E453-Y455 HydrophobicContact CB-CD2 4.38Å; E453-Y455 HydrophobicContact CB-CE2 3.55Å; E453-Y455 HydrophobicContact CG-CE2 4.46Å; E453-Y455 PolarHBondContact OE2-OH 3.22Å; E453-K463 IonicContact OE1-NZ 3.95Å; E453-K463 IonicContact OE2-NZ 2.65Å; E453-K463 PolarHBondContact OE2-NZ 3.17Å; E453-L574 HydrophobicContact CB-CB 4.37Å; E453-L574 PolarHBondContact N-O 3.33Å; E453-L574 PolarHBondContact O-N 2.66Å; E453-K576 IonicContact OE2-NZ 3.29Å
454M88.5Confident83.7Confident51 Ų5164.1 Ų64.125%0.25135%0.352SS..EExtended strand (participates in β ladder)trans-122.9134.9177-65.6-169.267.200110.7R571 V572 V573 P797 E801M454-R571 HydrophobicContact CE-CB 4.05Å; M454-R571 HydrophobicContact CE-CG 4.41Å; M454-V572 WeakPolarHBondContact CA-O 3.45Å; M454-V573 HydrophobicContact CE-CG2 3.96Å; M454-V573 HydrophobicContact CG-CG1 4.49Å; M454-V573 HydrophobicContact CG-CG2 4.32Å; M454-P797 HydrophobicContact SD-CB 3.84Å; M454-P797 VanDerWaalsContact SD-O 3.41Å; M454-E801 HydrophobicContact CE-CB 3.36Å; M454-E801 HydrophobicContact CE-CG 3.49Å; M454-E801 VanDerWaalsContact CE-CG 3.49Å; M454-E801 HydrophobicContact SD-CB 3.87Å; M454-E801 HydrophobicContact SD-CG 4.45Å
455Y89.6Confident84.6Confident55 Ų5563.8 Ų63.822%0.21635%0.351CS..EExtended strand (participates in β ladder)trans-128.9148.1-178.9-67.4-77.9000110.8E453 N459 K463 R571 V572 L574E453-Y455 HydrophobicContact CB-CD2 4.38Å; E453-Y455 HydrophobicContact CB-CE2 3.55Å; E453-Y455 HydrophobicContact CG-CE2 4.46Å; E453-Y455 PolarHBondContact OE2-OH 3.22Å; Y455-N459 HydrophobicContact CD1-CB 4.24Å; Y455-K463 HydrophobicContact CE1-CD 4.02Å; Y455-K463 HydrophobicContact CE2-CD 3.88Å; Y455-K463 PolarHBondContact OH-NZ 3.43Å; Y455-R571 WeakPolarHBondContact O-CA 3.28Å; Y455-R571 WeakPolarHBondContact O-CD 3.3Å; Y455-V572 PolarHBondContact N-O 3.3Å; Y455-V572 PolarHBondContact O-N 3.08Å; Y455-L574 HydrophobicContact CD2-CD1 3.87Å; Y455-L574 HydrophobicContact CD2-CG 4.25Å; Y455-L574 HydrophobicContact CE2-CD1 3.63Å; Y455-L574 HydrophobicContact CE2-CG 4.37Å
456T90.3Very high85.8Confident35 Ų3559.9 Ų59.922%0.21532%0.323CS..  trans-66.2157.9157.661.30000108.9N458 N459 F460 N567T456-N458 VanDerWaalsContact C-N 3.31Å; T456-N458 PolarHBondContact O-N 3.05Å; T456-N459 PolarHBondContact O-N 2.84Å; T456-N459 VanDerWaalsContact OG1-CB 3.31Å; T456-N459 WeakPolarHBondContact OG1-CB 2.91Å; T456-N459 PolarHBondContact OG1-N 3.09Å; T456-N459 PolarHBondContact OG1-ND2 3.46Å; T456-F460 WeakPolarHBondContact O-CB 3.23Å; T456-F460 PolarHBondContact O-N 3.17Å; T456-N567 WeakPolarHBondContact CB-OD1 3.35Å
457I89.3Confident86.4Confident4 Ų462.5 Ų62.52%0.02134%0.338CS..Hα-helixtrans-55.3-50.9-179.6-56.4178.9000109.4N459 F460 L461 L563 N565 S566 N567 F587I457-N459 PolarHBondContact O-N 3.1Å; I457-F460 WeakPolarHBondContact O-CB 3.38Å; I457-F460 PolarHBondContact O-N 3.48Å; I457-F460 VanDerWaalsContact O-N 3.13Å; I457-L461 HydrophobicContact CG2-CD1 4.27Å; I457-L461 HydrophobicContact CG2-CG 4.32Å; I457-L461 WeakPolarHBondContact O-CG 3.39Å; I457-L461 PolarHBondContact O-N 2.82Å; I457-L563 HydrophobicContact CG2-CD2 4.33Å; I457-N565 WeakPolarHBondContact CD1-O 3.46Å; I457-S566 WeakPolarHBondContact CD1-O 3.4Å; I457-N567 WeakPolarHBondContact CB-OD1 3.43Å; I457-N567 PolarHBondContact N-OD1 3.48Å; I457-F587 HydrophobicContact CD1-CE2 3.73Å; I457-F587 HydrophobicContact CD1-CZ 4.42Å; I457-F587 HydrophobicContact CG1-CE2 4.08Å
458N90.5Very high86.9Confident79 Ų7963.6 Ų63.642%0.42234%0.339SS..Hα-helixtrans-60.7-46.1-177.8-65.8-11.7000112.5T456 F460 L461 F462 N567T456-N458 VanDerWaalsContact C-N 3.31Å; T456-N458 PolarHBondContact O-N 3.05Å; N458-F460 VanDerWaalsContact C-N 3.26Å; N458-F460 PolarHBondContact O-N 3.41Å; N458-L461 PolarHBondContact O-N 3.3Å; N458-F462 WeakPolarHBondContact O-CD2 3.33Å; N458-F462 PolarHBondContact O-N 3.09Å; N458-F462 VanDerWaalsContact O-N 3.07Å; N458-N567 PolarHBondContact N-OD1 2.92Å
459N90.8Very high87.6Confident92 Ų9264 Ų6449%0.49234%0.34SS..Hα-helixtrans-65-34.4178.8-69.9-7.7000111.7Y455 T456 I457 K463Y455-N459 HydrophobicContact CD1-CB 4.24Å; T456-N459 PolarHBondContact O-N 2.84Å; T456-N459 VanDerWaalsContact OG1-CB 3.31Å; T456-N459 WeakPolarHBondContact OG1-CB 2.91Å; T456-N459 PolarHBondContact OG1-N 3.09Å; T456-N459 PolarHBondContact OG1-ND2 3.46Å; I457-N459 PolarHBondContact O-N 3.1Å; N459-K463 WeakPolarHBondContact O-CB 3.45Å; N459-K463 PolarHBondContact O-N 3.01Å
460F91.7Very high88.3Confident0 Ų059.2 Ų59.20%032%0.32CS..Hα-helixtrans-65.5-44.9173.6175.6-107.5000111.9L431 V434 T456 I457 N458 F462 K463 A464 F559 L563 V572 L574 V585L431-F460 HydrophobicContact CD2-CE1 3.81Å; L431-F460 HydrophobicContact CD2-CZ 3.41Å; L431-F460 VanDerWaalsContact CD2-CZ 3.41Å; V434-F460 HydrophobicContact CG1-CE2 3.97Å; T456-F460 WeakPolarHBondContact O-CB 3.23Å; T456-F460 PolarHBondContact O-N 3.17Å; I457-F460 WeakPolarHBondContact O-CB 3.38Å; I457-F460 PolarHBondContact O-N 3.48Å; I457-F460 VanDerWaalsContact O-N 3.13Å; N458-F460 VanDerWaalsContact C-N 3.26Å; N458-F460 PolarHBondContact O-N 3.41Å; F460-F462 VanDerWaalsContact C-N 3.3Å; F460-F462 PolarHBondContact O-N 3.11Å; F460-K463 PolarHBondContact O-N 3.02Å; F460-A464 WeakPolarHBondContact O-CB 3.27Å; F460-A464 PolarHBondContact O-N 2.86Å; F460-F559 HydrophobicContact CE1-CE1 4.48Å; F460-F559 HydrophobicContact CE1-CZ 4.47Å; F460-L563 HydrophobicContact CD1-CD2 4.33Å; F460-L563 HydrophobicContact CE1-CD1 4.37Å; F460-L563 HydrophobicContact CE1-CD2 4.44Å; F460-V572 HydrophobicContact CB-CB 4.1Å; F460-V572 HydrophobicContact CB-CG1 4.49Å; F460-V572 HydrophobicContact CB-CG2 4.1Å; F460-V572 HydrophobicContact CD1-CB 4.24Å; F460-V572 HydrophobicContact CD1-CG1 3.98Å; F460-V572 HydrophobicContact CD1-CG2 3.87Å; F460-V572 HydrophobicContact CD2-CB 4.22Å; F460-V572 HydrophobicContact CD2-CG1 3.72Å; F460-V572 HydrophobicContact CE1-CG1 4.06Å; F460-V572 HydrophobicContact CE1-CG2 4.5Å; F460-V572 HydrophobicContact CE2-CG1 3.84Å; F460-V572 HydrophobicContact CG-CB 3.91Å; F460-V572 HydrophobicContact CG-CG1 3.78Å; F460-V572 HydrophobicContact CG-CG2 3.97Å; F460-V572 HydrophobicContact CZ-CG1 3.97Å; F460-L574 HydrophobicContact CD2-CD2 4.44Å; F460-L574 HydrophobicContact CE2-CD2 3.81Å; F460-V585 HydrophobicContact CE2-CG1 4.39Å; F460-V585 HydrophobicContact CZ-CG1 4.03Å
461L89.3Confident88.7Confident27 Ų2755.7 Ų55.714%0.14129%0.289CS..Hα-helixtrans-59.7-41177.4-61.9-178.7000111.5I457 N458 A464 Q465 I466 L471 L563I457-L461 HydrophobicContact CG2-CD1 4.27Å; I457-L461 HydrophobicContact CG2-CG 4.32Å; I457-L461 WeakPolarHBondContact O-CG 3.39Å; I457-L461 PolarHBondContact O-N 2.82Å; N458-L461 PolarHBondContact O-N 3.3Å; L461-A464 PolarHBondContact O-N 2.89Å; L461-Q465 PolarHBondContact O-N 3.31Å; L461-I466 HydrophobicContact CB-CG1 4.19Å; L461-I466 HydrophobicContact CD2-CD1 3.54Å; L461-I466 HydrophobicContact CD2-CG1 3.72Å; L461-I466 PolarHBondContact O-N 3.09Å; L461-L471 HydrophobicContact CD1-CD1 4.47Å; L461-L471 HydrophobicContact CD2-CD1 3.88Å; L461-L563 HydrophobicContact CD2-CD1 4.5Å
462F90.6Very high89Confident125 Ų12560 Ų6055%0.54830%0.299SS..Hα-helixtrans-65.3-44.8173.7-71.4-58.9000112.5N458 F460 A464 Q465 D467N458-F462 WeakPolarHBondContact O-CD2 3.33Å; N458-F462 PolarHBondContact O-N 3.09Å; N458-F462 VanDerWaalsContact O-N 3.07Å; F460-F462 VanDerWaalsContact C-N 3.3Å; F460-F462 PolarHBondContact O-N 3.11Å; F462-A464 VanDerWaalsContact C-N 3.27Å; F462-A464 PolarHBondContact O-N 3.09Å; F462-Q465 PolarHBondContact O-N 3.24Å; F462-Q465 VanDerWaalsContact O-N 3.08Å; F462-D467 HydrophobicContact CD1-CB 3.84Å; F462-D467 HydrophobicContact CE1-CB 3.85Å
463K89.4Confident89Confident76 Ų7660.9 Ų60.933%0.3330%0.296SS..Hα-helixtrans-61.3-37.7177.2-174.1173-176.2170.10111.9V434 E453 Y455 N459 F460 Q465V434-K463 HydrophobicContact CG1-CD 4.48Å; V434-K463 HydrophobicContact CG2-CG 4.3Å; E453-K463 IonicContact OE1-NZ 3.95Å; E453-K463 IonicContact OE2-NZ 2.65Å; E453-K463 PolarHBondContact OE2-NZ 3.17Å; Y455-K463 HydrophobicContact CE1-CD 4.02Å; Y455-K463 HydrophobicContact CE2-CD 3.88Å; Y455-K463 PolarHBondContact OH-NZ 3.43Å; N459-K463 WeakPolarHBondContact O-CB 3.45Å; N459-K463 PolarHBondContact O-N 3.01Å; F460-K463 PolarHBondContact O-N 3.02Å; K463-Q465 VanDerWaalsContact C-N 3.3Å
464A89.1Confident89Confident1 Ų157.6 Ų57.61%0.00828%0.281CS..Hα-helixtrans-79.4-9.6176.900000113.9V434 F460 L461 F462 I466V434-A464 HydrophobicContact CG2-CB 3.78Å; F460-A464 WeakPolarHBondContact O-CB 3.27Å; F460-A464 PolarHBondContact O-N 2.86Å; L461-A464 PolarHBondContact O-N 2.89Å; F462-A464 VanDerWaalsContact C-N 3.27Å; F462-A464 PolarHBondContact O-N 3.09Å; A464-I466 VanDerWaalsContact C-N 3.29Å; A464-I466 HydrophobicContact CB-CD1 3.9Å; A464-I466 HydrophobicContact CB-CG1 3.8Å; A464-I466 HydrophobicContact CB-CG2 4.27Å; A464-I466 PolarHBondContact O-N 3.36Å
465Q89.5Confident89Confident113 Ų11356.9 Ų56.953%0.52828%0.277SS..THydrogen-bonded Turntrans57.937.9-174.7-55.6178.5-29.200113.1F426 L461 F462 K463F426-Q465 VanDerWaalsContact CE1-O 3.23Å; F426-Q465 WeakPolarHBondContact CE1-O 3.23Å; F426-Q465 WeakPolarHBondContact CZ-O 3.49Å; L461-Q465 PolarHBondContact O-N 3.31Å; F462-Q465 PolarHBondContact O-N 3.24Å; F462-Q465 VanDerWaalsContact O-N 3.08Å; K463-Q465 VanDerWaalsContact C-N 3.3Å
466I90.1Very high88.8Confident1 Ų161 Ų611%0.00529%0.292CS..  trans-115.810.1-178.661.4176.5000112.7F426 V427 L461 A464 N468 I469F426-I466 HydrophobicContact CD1-CG2 4.34Å; F426-I466 HydrophobicContact CE1-CG2 4.16Å; V427-I466 HydrophobicContact CB-CG2 4.37Å; V427-I466 HydrophobicContact CG1-CD1 4.01Å; V427-I466 HydrophobicContact CG1-CG2 4.32Å; V427-I466 HydrophobicContact CG2-CB 4.43Å; V427-I466 HydrophobicContact CG2-CG2 4.19Å; L461-I466 HydrophobicContact CB-CG1 4.19Å; L461-I466 HydrophobicContact CD2-CD1 3.54Å; L461-I466 HydrophobicContact CD2-CG1 3.72Å; L461-I466 PolarHBondContact O-N 3.09Å; A464-I466 VanDerWaalsContact C-N 3.29Å; A464-I466 HydrophobicContact CB-CD1 3.9Å; A464-I466 HydrophobicContact CB-CG1 3.8Å; A464-I466 HydrophobicContact CB-CG2 4.27Å; A464-I466 PolarHBondContact O-N 3.36Å; I466-N468 VanDerWaalsContact C-N 3.26Å; I466-N468 PolarHBondContact O-N 3.02Å; I466-I469 PolarHBondContact O-N 3.01Å; I466-I469 VanDerWaalsContact O-N 3.16Å
467D86.7Confident88.7Confident68 Ų6859.3 Ų59.336%0.36428%0.282SS..THydrogen-bonded Turntrans-60.4-31.1179.757.9-53.5000113.5F462 I469F462-D467 HydrophobicContact CD1-CB 3.84Å; F462-D467 HydrophobicContact CE1-CB 3.85Å; D467-I469 PolarHBondContact O-N 3.46Å
468N85.8Confident88.5Confident151 Ų15159.2 Ų59.281%0.80728%0.281SS*.THydrogen-bonded Turntrans-76.5-4178.2-66.8-55.2000114.2I466I466-N468 VanDerWaalsContact C-N 3.26Å; I466-N468 PolarHBondContact O-N 3.02Å
469I87.9Confident88.1Confident25 Ų2560.2 Ų60.213%0.12828%0.284CS..SBendtrans-102.5125.9-178.4-64.9-179.9000110.1Q423 F426 V427 I466 D467 L471 L474Q423-I469 HydrophobicContact CB-CD1 4.44Å; F426-I469 HydrophobicContact CD1-CD1 3.4Å; F426-I469 VanDerWaalsContact CD1-CD1 3.4Å; F426-I469 HydrophobicContact CE1-CD1 3.99Å; F426-I469 HydrophobicContact CG-CD1 4.32Å; V427-I469 HydrophobicContact CG2-CD1 3.61Å; V427-I469 HydrophobicContact CG2-CG2 4.21Å; I466-I469 PolarHBondContact O-N 3.01Å; I466-I469 VanDerWaalsContact O-N 3.16Å; D467-I469 PolarHBondContact O-N 3.46Å; I469-L471 PolarHBondContact O-N 3.2Å; I469-L474 HydrophobicContact CG2-CD1 3.42Å; I469-L474 VanDerWaalsContact CG2-CD1 3.42Å; I469-L474 HydrophobicContact CG2-CG 4.06Å
470N88.8Confident87.7Confident79 Ų7961.1 Ų61.142%0.42228%0.283SS..  trans-7797.8174.6-171.6-37.9000110.7F472 K473 L474N470-F472 VanDerWaalsContact C-N 3.27Å; N470-F472 PolarHBondContact O-N 3.13Å; N470-F472 WeakPolarHBondContact OD1-CB 3.45Å; N470-F472 PolarHBondContact OD1-N 3.31Å; N470-K473 HydrophobicContact CB-CB 4.26Å; N470-K473 HydrophobicContact CB-CD 4.27Å; N470-K473 HydrophobicContact CB-CG 4.2Å; N470-K473 PolarHBondContact O-N 3.31Å; N470-K473 PolarHBondContact OD1-N 3.48Å; N470-K473 VanDerWaalsContact OD1-N 3.09Å; N470-L474 PolarHBondContact O-N 2.97Å
471L87.5Confident87.2Confident12 Ų1261.4 Ų61.46%0.06329%0.285CS..Hα-helixtrans-60.8-30.9179.2-64.8178.6000113.3L461 I469 L474 Q475 L563 T564L461-L471 HydrophobicContact CD1-CD1 4.47Å; L461-L471 HydrophobicContact CD2-CD1 3.88Å; I469-L471 PolarHBondContact O-N 3.2Å; L471-L474 HydrophobicContact CD2-CD1 4.35Å; L471-L474 PolarHBondContact O-N 3.5Å; L471-Q475 WeakPolarHBondContact O-CB 3.19Å; L471-Q475 PolarHBondContact O-N 2.61Å; L471-L563 HydrophobicContact CD1-CB 3.9Å; L471-L563 HydrophobicContact CD1-CD1 4.22Å; L471-T564 HydrophobicContact CB-CG2 4.22Å
472F88.4Confident86.9Confident121 Ų12163.2 Ų63.253%0.53129%0.294SS..Hα-helixtrans-65.9-39.2175.8-60.7-88.1000112N470 Q475 R476 T564N470-F472 VanDerWaalsContact C-N 3.27Å; N470-F472 PolarHBondContact O-N 3.13Å; N470-F472 WeakPolarHBondContact OD1-CB 3.45Å; N470-F472 PolarHBondContact OD1-N 3.31Å; F472-Q475 PolarHBondContact O-N 3.26Å; F472-R476 WeakPolarHBondContact O-CG 3.45Å; F472-R476 PolarHBondContact O-N 2.86Å; F472-R476 VanDerWaalsContact O-N 3.1Å; F472-T564 HydrophobicContact CD1-CG2 4.04Å; F472-T564 HydrophobicContact CE1-CG2 4.13Å; F472-T564 HydrophobicContact CG-CG2 4.4Å
473K88.1Confident86.5Confident95 Ų9557.2 Ų57.241%0.41327%0.268SS..Hα-helixtrans-67.3-40174.5-70.4-173179.4-171.40111.2N470 R476 Y477N470-K473 HydrophobicContact CB-CB 4.26Å; N470-K473 HydrophobicContact CB-CD 4.27Å; N470-K473 HydrophobicContact CB-CG 4.2Å; N470-K473 PolarHBondContact O-N 3.31Å; N470-K473 PolarHBondContact OD1-N 3.48Å; N470-K473 VanDerWaalsContact OD1-N 3.09Å; K473-R476 PolarHBondContact O-N 3.46Å; K473-Y477 PolarHBondContact O-N 3.4Å
474L88.3Confident86.3Confident0 Ų053.7 Ų53.70%025%0.252CS..Hα-helixtrans-62.8-44.1174.5-77.2-175.2000112.2Y420 Q423 I424 V427 I469 N470 L471 R476 Y477 F478 F560Y420-L474 HydrophobicContact CD1-CD2 3.81Å; Q423-L474 HydrophobicContact CB-CD2 4.04Å; I424-L474 HydrophobicContact CG1-CD2 3.94Å; V427-L474 HydrophobicContact CG2-CD1 4.19Å; I469-L474 HydrophobicContact CG2-CD1 3.42Å; I469-L474 VanDerWaalsContact CG2-CD1 3.42Å; I469-L474 HydrophobicContact CG2-CG 4.06Å; N470-L474 PolarHBondContact O-N 2.97Å; L471-L474 HydrophobicContact CD2-CD1 4.35Å; L471-L474 PolarHBondContact O-N 3.5Å; L474-R476 PolarHBondContact O-N 3.23Å; L474-Y477 CarbonylContact O-C 3.6Å; L474-Y477 WeakPolarHBondContact O-CA 3.41Å; L474-Y477 WeakPolarHBondContact O-CB 3.37Å; L474-Y477 PolarHBondContact O-N 3.08Å; L474-Y477 VanDerWaalsContact O-N 3.09Å; L474-F478 WeakPolarHBondContact O-CD2 3.46Å; L474-F478 PolarHBondContact O-N 3.27Å; L474-F560 HydrophobicContact CD1-CE2 4.36Å
475Q86.6Confident85.7Confident35 Ų3559 Ų5916%0.16427%0.272CS..Hα-helixtrans-58.3-47.3176.2-172.2-162.1-38.500111.4L471 F472 Y477 F478 E479 L561 T564L471-Q475 WeakPolarHBondContact O-CB 3.19Å; L471-Q475 PolarHBondContact O-N 2.61Å; F472-Q475 PolarHBondContact O-N 3.26Å; Q475-Y477 PolarHBondContact O-N 2.97Å; Q475-F478 WeakPolarHBondContact O-CB 3.49Å; Q475-F478 PolarHBondContact O-N 3.48Å; Q475-F478 VanDerWaalsContact O-N 3.11Å; Q475-E479 PolarHBondContact NE2-OE1 3.06Å; Q475-E479 WeakPolarHBondContact O-CG 3.35Å; Q475-E479 PolarHBondContact O-N 3.39Å; Q475-L561 HydrophobicContact CG-CD1 4.24Å; Q475-T564 PolarHBondContact OE1-OG1 3.23Å
476R86.3Confident85.2Confident142 Ų14255.4 Ų55.454%0.53626%0.255SS..Hα-helixtrans-59.3-36.6174.5-71.7-179.6-176-178.22112.4F472 K473 L474 K480F472-R476 WeakPolarHBondContact O-CG 3.45Å; F472-R476 PolarHBondContact O-N 2.86Å; F472-R476 VanDerWaalsContact O-N 3.1Å; K473-R476 PolarHBondContact O-N 3.46Å; L474-R476 PolarHBondContact O-N 3.23Å; R476-K480 WeakPolarHBondContact O-CB 3.24Å; R476-K480 WeakPolarHBondContact O-CG 3.48Å; R476-K480 PolarHBondContact O-N 3.02Å
477Y88Confident84.8Confident0 Ų055.3 Ų55.30%025%0.254CS..Hα-helixtrans-65.6-44.1174.3177.9-99.4000111.6Y180 Y420 I424 K473 L474 Q475 E479 K480 S481 I483Y180-Y477 HydrophobicContact CD1-CD2 4.28Å; Y180-Y477 AromaticContact CD2-CD2 3.83Å; Y180-Y477 HydrophobicContact CD2-CD2 3.83Å; Y180-Y477 HydrophobicContact CE2-CD2 4.24Å; Y180-Y477 AromaticContact CG-CD2 3.84Å; Y180-Y477 HydrophobicContact CG-CD2 3.84Å; Y180-Y477 HydrophobicContact CG-CE2 4.33Å; Y420-Y477 HydrophobicContact CD1-CG 4.43Å; Y420-Y477 AromaticContact CD2-CD2 3.6Å; Y420-Y477 HydrophobicContact CD2-CD2 3.6Å; Y420-Y477 AromaticContact CD2-CE2 3.89Å; Y420-Y477 HydrophobicContact CD2-CE2 3.89Å; Y420-Y477 HydrophobicContact CD2-CG 4.11Å; Y420-Y477 HydrophobicContact CE2-CD2 4.27Å; Y420-Y477 HydrophobicContact CG-CD1 4.3Å; Y420-Y477 AromaticContact CG-CD2 3.85Å; Y420-Y477 HydrophobicContact CG-CD2 3.85Å; Y420-Y477 HydrophobicContact CG-CE2 4.21Å; Y420-Y477 AromaticContact CG-CG 3.9Å; Y420-Y477 HydrophobicContact CG-CG 3.9Å; I424-Y477 HydrophobicContact CD1-CD1 4.04Å; I424-Y477 HydrophobicContact CD1-CE1 4.06Å; K473-Y477 PolarHBondContact O-N 3.4Å; L474-Y477 CarbonylContact O-C 3.6Å; L474-Y477 WeakPolarHBondContact O-CA 3.41Å; L474-Y477 WeakPolarHBondContact O-CB 3.37Å; L474-Y477 PolarHBondContact O-N 3.08Å; L474-Y477 VanDerWaalsContact O-N 3.09Å; Q475-Y477 PolarHBondContact O-N 2.97Å; Y477-E479 VanDerWaalsContact C-N 3.35Å; Y477-E479 PolarHBondContact O-N 2.87Å; Y477-K480 PolarHBondContact O-N 3.37Å; Y477-S481 WeakPolarHBondContact O-CB 3.47Å; Y477-S481 PolarHBondContact O-N 2.99Å; Y477-S481 PolarHBondContact O-OG 3.25Å; Y477-I483 HydrophobicContact CE1-CG2 4.37Å
478F85.6Confident84.2Confident1 Ų152.7 Ų52.70%0.00424%0.244CC..Hα-helixtrans-54.8-50173.6-83.2-75000111.8I424 L474 Q475 M482 I483 S484 M553 E557 F560I424-F478 HydrophobicContact CD1-CE1 4.06Å; I424-F478 HydrophobicContact CD1-CE2 3.83Å; I424-F478 HydrophobicContact CD1-CZ 3.51Å; I424-F478 HydrophobicContact CG1-CE2 3.9Å; I424-F478 HydrophobicContact CG1-CZ 3.78Å; I424-F478 HydrophobicContact CG2-CZ 3.88Å; L474-F478 WeakPolarHBondContact O-CD2 3.46Å; L474-F478 PolarHBondContact O-N 3.27Å; Q475-F478 WeakPolarHBondContact O-CB 3.49Å; Q475-F478 PolarHBondContact O-N 3.48Å; Q475-F478 VanDerWaalsContact O-N 3.11Å; F478-M482 WeakPolarHBondContact O-CA 3.39Å; F478-M482 PolarHBondContact O-N 3.01Å; F478-I483 HydrophobicContact CD1-CG2 3.4Å; F478-I483 HydrophobicContact CE1-CG2 3.59Å; F478-I483 HydrophobicContact CG-CG2 4.32Å; F478-S484 WeakPolarHBondContact CD1-OG 3.41Å; F478-M553 HydrophobicContact CE1-CE 3.38Å; F478-M553 HydrophobicContact CE1-CG 4.45Å; F478-M553 HydrophobicContact CZ-CE 3.37Å; F478-E557 HydrophobicContact CB-CG 3.92Å; F478-E557 HydrophobicContact CD1-CB 4.03Å; F478-E557 HydrophobicContact CD1-CG 3.98Å; F478-E557 HydrophobicContact CE1-CB 4.28Å; F478-E557 HydrophobicContact CG-CB 4.34Å; F478-E557 HydrophobicContact CG-CG 3.92Å; F478-F560 HydrophobicContact CD2-CD2 4.49Å; F478-F560 AromaticContact CE2-CD2 3.64Å; F478-F560 HydrophobicContact CE2-CD2 3.64Å; F478-F560 AromaticContact CE2-CE2 3.96Å; F478-F560 HydrophobicContact CE2-CE2 3.96Å; F478-F560 HydrophobicContact CZ-CD2 4.3Å; F478-F560 HydrophobicContact CZ-CE2 4.31Å
479E80.8Confident83.6Confident101 Ų10146.8 Ų46.847%0.47222%0.218SC..Hα-helixtrans-62.6-44.5-178.8-70.1172-16900113Q475 Y477Q475-E479 PolarHBondContact NE2-OE1 3.06Å; Q475-E479 WeakPolarHBondContact O-CG 3.35Å; Q475-E479 PolarHBondContact O-N 3.39Å; Y477-E479 VanDerWaalsContact C-N 3.35Å; Y477-E479 PolarHBondContact O-N 2.87Å
480K83.2Confident83.1Confident110 Ų11045.8 Ų45.848%0.47821%0.213SC..Hα-helixtrans-79.2-42.2-178.5-68.9-168.3-179-175.20112.7Y180 E183 R476 Y477 M482Y180-K480 HydrophobicContact CD2-CB 4.06Å; Y180-K480 HydrophobicContact CD2-CD 4.17Å; Y180-K480 HydrophobicContact CE2-CB 4.18Å; Y180-K480 HydrophobicContact CE2-CD 3.84Å; Y180-K480 HydrophobicContact CE2-CG 4.41Å; E183-K480 IonicContact OE1-NZ 3.91Å; E183-K480 PolarHBondContact OE1-NZ 3.47Å; R476-K480 WeakPolarHBondContact O-CB 3.24Å; R476-K480 WeakPolarHBondContact O-CG 3.48Å; R476-K480 PolarHBondContact O-N 3.02Å; Y477-K480 PolarHBondContact O-N 3.37Å; K480-M482 VanDerWaalsContact C-N 3.34Å
481S81.8Confident82.6Confident7 Ų743 Ų435%0.04920%0.199CC..Hα-helixtrans-76.5-24.3-175.370.30000113.1Y477 I483Y477-S481 WeakPolarHBondContact O-CB 3.47Å; Y477-S481 PolarHBondContact O-N 2.99Å; Y477-S481 PolarHBondContact O-OG 3.25Å; S481-I483 PolarHBondContact O-N 3.47Å; S481-I483 WeakPolarHBondContact OG-CB 3.23Å; S481-I483 PolarHBondContact OG-N 2.96Å
482M81.5Confident81.8Confident64 Ų6447.8 Ų47.832%0.31522%0.221SC..  trans52.733.3-170.7-57.3-60.9-60.900112.3F478 K480 S484 R485 K486F478-M482 WeakPolarHBondContact O-CA 3.39Å; F478-M482 PolarHBondContact O-N 3.01Å; K480-M482 VanDerWaalsContact C-N 3.34Å; M482-S484 VanDerWaalsContact C-N 3.26Å; M482-S484 PolarHBondContact O-N 3.08Å; M482-R485 VanDerWaalsContact CE-CD 3.46Å; M482-R485 HydrophobicContact CE-CG 4.13Å; M482-R485 VanDerWaalsContact CE-NH1 3.27Å; M482-R485 PolarHBondContact O-N 3.29Å; M482-K486 PolarHBondContact O-N 3.44Å; M482-K486 VanDerWaalsContact O-N 3.09Å
483I83.5Confident80.9Confident0 Ų045.8 Ų45.80%021%0.212CC..Hα-helixtrans-57.1-37.2-173.6-174.561.1000112.6V177 L402 Y405 Y477 F478 S481 R485 K486 L487V177-I483 HydrophobicContact CG2-CD1 3.73Å; L402-I483 HydrophobicContact CD1-CG1 4.4Å; Y405-I483 HydrophobicContact CD1-CD1 4.19Å; Y405-I483 HydrophobicContact CE1-CD1 3.67Å; Y477-I483 HydrophobicContact CE1-CG2 4.37Å; F478-I483 HydrophobicContact CD1-CG2 3.4Å; F478-I483 HydrophobicContact CE1-CG2 3.59Å; F478-I483 HydrophobicContact CG-CG2 4.32Å; S481-I483 PolarHBondContact O-N 3.47Å; S481-I483 WeakPolarHBondContact OG-CB 3.23Å; S481-I483 PolarHBondContact OG-N 2.96Å; I483-R485 VanDerWaalsContact C-N 3.27Å; I483-R485 PolarHBondContact O-N 3.48Å; I483-K486 PolarHBondContact O-N 3.03Å; I483-L487 VanDerWaalsContact O-CB 3.3Å; I483-L487 WeakPolarHBondContact O-CB 3.41Å; I483-L487 PolarHBondContact O-N 3.35Å
484S83.9Confident79.9Confident2 Ų241.9 Ų41.91%0.01419%0.194CC..Hα-helixtrans-59.4-36.4177.7-48.70000112.6F478 M482 G488 E557F478-S484 WeakPolarHBondContact CD1-OG 3.41Å; M482-S484 VanDerWaalsContact C-N 3.26Å; M482-S484 PolarHBondContact O-N 3.08Å; S484-G488 PolarHBondContact O-N 3.4Å; S484-E557 VanDerWaalsContact CB-OE2 3.24Å; S484-E557 WeakPolarHBondContact CB-OE2 3.47Å; S484-E557 PolarHBondContact OG-OE2 3.12Å
485R77.5Confident78.5Confident112 Ų11244.9 Ų44.942%0.42322%0.219SC..Hα-helixtrans-76.8-43.8175.7-69.2-172.3-169.2164.18.3111.9D265 M482 I483 L487 G488 G489 M554D265-R485 IonicContact OD1-NE 3.75Å; M482-R485 VanDerWaalsContact CE-CD 3.46Å; M482-R485 HydrophobicContact CE-CG 4.13Å; M482-R485 VanDerWaalsContact CE-NH1 3.27Å; M482-R485 PolarHBondContact O-N 3.29Å; I483-R485 VanDerWaalsContact C-N 3.27Å; I483-R485 PolarHBondContact O-N 3.48Å; R485-L487 VanDerWaalsContact C-N 3.27Å; R485-L487 PolarHBondContact O-N 3.27Å; R485-G488 WeakPolarHBondContact O-CA 3.39Å; R485-G488 PolarHBondContact O-N 3.31Å; R485-G488 VanDerWaalsContact O-N 3.1Å; R485-G489 PolarHBondContact O-N 2.93Å; R485-M554 HydrophobicContact CB-CE 4.28Å; R485-M554 HydrophobicContact CG-CE 3.42Å; R485-M554 VanDerWaalsContact CG-CE 3.42Å
486K78.9Confident76.7Confident37 Ų3746.9 Ų46.916%0.16125%0.25CC..Hα-helixtrans-60.5-39.3177.1-67.8-176176.6-173.60111.6L175 V176 V177 A178 M482 I483 G489 F490L175-K486 WeakPolarHBondContact CD2-O 3.31Å; V176-K486 PolarHBondContact O-NZ 3.29Å; V177-K486 VanDerWaalsContact CA-NZ 3.34Å; V177-K486 HydrophobicContact CG2-CD 4.36Å; A178-K486 VanDerWaalsContact N-NZ 3.18Å; M482-K486 PolarHBondContact O-N 3.44Å; M482-K486 VanDerWaalsContact O-N 3.09Å; I483-K486 PolarHBondContact O-N 3.03Å; K486-G489 PolarHBondContact O-N 3.48Å; K486-F490 WeakPolarHBondContact O-CB 3.35Å; K486-F490 PolarHBondContact O-N 3.31Å
487L80.8Confident74.7Confident0 Ų045.1 Ų45.10%026%0.255CS..Hα-helixtrans-67.4-37.6174.9-168.164.9000112Q401 L402 Y405 I483 R485 F490 V491 M553Q401-L487 HydrophobicContact CB-CD1 4.16Å; Q401-L487 HydrophobicContact CB-CD2 3.93Å; Q401-L487 HydrophobicContact CB-CG 4.14Å; Q401-L487 WeakPolarHBondContact O-CD1 3.45Å; L402-L487 HydrophobicContact CB-CD2 4.15Å; L402-L487 HydrophobicContact CD1-CD2 4.36Å; Y405-L487 VanDerWaalsContact CB-CD1 3.48Å; Y405-L487 HydrophobicContact CD2-CD1 4.12Å; Y405-L487 HydrophobicContact CG-CD1 3.89Å; I483-L487 VanDerWaalsContact O-CB 3.3Å; I483-L487 WeakPolarHBondContact O-CB 3.41Å; I483-L487 PolarHBondContact O-N 3.35Å; R485-L487 VanDerWaalsContact C-N 3.27Å; R485-L487 PolarHBondContact O-N 3.27Å; L487-F490 HydrophobicContact CD1-CD1 4.3Å; L487-F490 WeakPolarHBondContact O-CB 3.39Å; L487-F490 PolarHBondContact O-N 3.39Å; L487-V491 VanDerWaalsContact O-CG2 3.28Å; L487-V491 WeakPolarHBondContact O-CG2 3.39Å; L487-V491 PolarHBondContact O-N 3.46Å; L487-M553 HydrophobicContact CD2-CB 3.89Å; L487-M553 HydrophobicContact CD2-CG 3.87Å; L487-M553 HydrophobicContact CD2-SD 4.22Å
488G75.1Confident72.6Confident13 Ų1347.9 Ų47.913%0.13428%0.283CS..Hα-helixtrans-56.7-53.717100000112S484 R485 F490 V491 E492S484-G488 PolarHBondContact O-N 3.4Å; R485-G488 WeakPolarHBondContact O-CA 3.39Å; R485-G488 PolarHBondContact O-N 3.31Å; R485-G488 VanDerWaalsContact O-N 3.1Å; G488-F490 VanDerWaalsContact C-N 3.29Å; G488-F490 PolarHBondContact O-N 2.97Å; G488-V491 PolarHBondContact O-N 3.05Å; G488-V491 VanDerWaalsContact O-N 3.14Å; G488-E492 PolarHBondContact O-N 3.36Å
489G72.6Confident70.4Confident26 Ų2648.8 Ų48.827%0.26829%0.289SS..Hα-helixtrans-61.3-35.3177.200000113.3R485 K486 K493R485-G489 PolarHBondContact O-N 2.93Å; K486-G489 PolarHBondContact O-N 3.48Å; G489-K493 VanDerWaalsContact O-CB 3.28Å; G489-K493 WeakPolarHBondContact O-CB 3.49Å; G489-K493 PolarHBondContact O-N 2.9Å
490F78.5Confident68.5Low4 Ų447.9 Ų47.92%0.01829%0.29CS..Hα-helixtrans-60.7-47.4173.5174.8-97.8000111.7L175 Q404 Y405 R408 Y409 K486 L487 G488 K493 Y494 V499L175-F490 HydrophobicContact CD1-CB 4.44Å; L175-F490 HydrophobicContact CD1-CD2 4.45Å; L175-F490 HydrophobicContact CD2-CB 4.25Å; Q404-F490 HydrophobicContact CB-CE1 4.2Å; Q404-F490 HydrophobicContact CB-CZ 4.48Å; Y405-F490 HydrophobicContact CD2-CB 4.04Å; Y405-F490 HydrophobicContact CD2-CD1 4.4Å; Y405-F490 AromaticContact CD2-CD2 3.95Å; Y405-F490 HydrophobicContact CD2-CD2 3.95Å; Y405-F490 HydrophobicContact CD2-CE2 4.5Å; Y405-F490 AromaticContact CD2-CG 3.88Å; Y405-F490 HydrophobicContact CD2-CG 3.88Å; R408-F490 HydrophobicContact CB-CE2 4.39Å; R408-F490 HydrophobicContact CB-CZ 4.48Å; R408-F490 HydrophobicContact CG-CE2 4.36Å; Y409-F490 AromaticContact CE2-CD2 3.6Å; Y409-F490 HydrophobicContact CE2-CD2 3.6Å; Y409-F490 AromaticContact CE2-CE2 3.72Å; Y409-F490 HydrophobicContact CE2-CE2 3.72Å; K486-F490 WeakPolarHBondContact O-CB 3.35Å; K486-F490 PolarHBondContact O-N 3.31Å; L487-F490 HydrophobicContact CD1-CD1 4.3Å; L487-F490 WeakPolarHBondContact O-CB 3.39Å; L487-F490 PolarHBondContact O-N 3.39Å; G488-F490 VanDerWaalsContact C-N 3.29Å; G488-F490 PolarHBondContact O-N 2.97Å; F490-K493 PolarHBondContact O-N 3.46Å; F490-Y494 AromaticContact CD2-CD2 3.38Å; F490-Y494 HydrophobicContact CD2-CD2 3.38Å; F490-Y494 AromaticContact CD2-CE2 3.41Å; F490-Y494 HydrophobicContact CD2-CE2 3.41Å; F490-Y494 VanDerWaalsContact CD2-CE2 3.41Å; F490-Y494 HydrophobicContact CE1-CD2 4.5Å; F490-Y494 AromaticContact CE2-CD2 3.37Å; F490-Y494 HydrophobicContact CE2-CD2 3.37Å; F490-Y494 AromaticContact CE2-CE2 3.46Å; F490-Y494 HydrophobicContact CE2-CE2 3.46Å; F490-Y494 VanDerWaalsContact CE2-CE2 3.46Å; F490-Y494 HydrophobicContact CE2-CG 4.43Å; F490-Y494 AromaticContact CG-CD2 4Å; F490-Y494 HydrophobicContact CG-CD2 4Å; F490-Y494 HydrophobicContact CG-CE2 4.38Å; F490-Y494 AromaticContact CZ-CD2 3.96Å; F490-Y494 HydrophobicContact CZ-CD2 3.96Å; F490-Y494 HydrophobicContact CZ-CE2 4.45Å; F490-Y494 WeakPolarHBondContact O-CD2 3.26Å; F490-Y494 PolarHBondContact O-N 3Å; F490-V499 HydrophobicContact CE1-CG2 4.42Å
491V77.5Confident66.5Low21 Ų2147.7 Ų47.713%0.12729%0.294CS..Hα-helixtrans-66-45.3-179.3172.90000110.9Q401 L487 G488 K493 Y494 A495Q401-V491 HydrophobicContact CB-CG2 4.14Å; Q401-V491 HydrophobicContact CG-CG2 3.65Å; L487-V491 VanDerWaalsContact O-CG2 3.28Å; L487-V491 WeakPolarHBondContact O-CG2 3.39Å; L487-V491 PolarHBondContact O-N 3.46Å; G488-V491 PolarHBondContact O-N 3.05Å; G488-V491 VanDerWaalsContact O-N 3.14Å; V491-K493 VanDerWaalsContact C-N 3.27Å; V491-K493 PolarHBondContact O-N 3.16Å; V491-Y494 PolarHBondContact O-N 3.29Å; V491-A495 WeakPolarHBondContact O-CA 3.45Å; V491-A495 VanDerWaalsContact O-CB 3.26Å; V491-A495 WeakPolarHBondContact O-CB 3.43Å; V491-A495 PolarHBondContact O-N 3.01Å
492E71.9Confident64.5Low113 Ų11352.4 Ų52.453%0.52832%0.315SS..Hα-helixtrans-58-42.7178.1-73.5179.1174.500111.4H262 G488H262-E492 IonicContact CE1-OE1 2.86Å; H262-E492 PolarHBondContact CE1-OE1 3.26Å; H262-E492 IonicContact ND1-OE1 3.19Å; H262-E492 PolarHBondContact ND1-OE1 3.38Å; G488-E492 PolarHBondContact O-N 3.36Å
493K68.3Low62.2Low79 Ų7952.5 Ų52.534%0.34332%0.319SS..Hα-helixtrans-69.8-41.2-178.8-172.9173.8-178.4-175.70113.9E171 D172 L175 G489 F490 V491E171-K493 PolarHBondContact O-NZ 3.37Å; D172-K493 WeakPolarHBondContact OD1-CE 3.16Å; D172-K493 IonicContact OD1-NZ 3.84Å; D172-K493 PolarHBondContact OD1-NZ 2.99Å; L175-K493 HydrophobicContact CD1-CD 3.85Å; G489-K493 VanDerWaalsContact O-CB 3.28Å; G489-K493 WeakPolarHBondContact O-CB 3.49Å; G489-K493 PolarHBondContact O-N 2.9Å; F490-K493 PolarHBondContact O-N 3.46Å; V491-K493 VanDerWaalsContact C-N 3.27Å; V491-K493 PolarHBondContact O-N 3.16Å
494Y67Low59.7Low12 Ų1261 Ų615%0.04736%0.359CS..Hα-helixtrans-103.87.8-173-59.8-67.6000114D172 L175 R408 F490 V491 G496 T497 V499D172-Y494 PolarHBondContact OD1-OH 3.28Å; D172-Y494 PolarHBondContact OD2-OH 3.47Å; L175-Y494 HydrophobicContact CD1-CE2 4.01Å; R408-Y494 PolarHBondContact NH2-OH 3.04Å; F490-Y494 AromaticContact CD2-CD2 3.38Å; F490-Y494 HydrophobicContact CD2-CD2 3.38Å; F490-Y494 AromaticContact CD2-CE2 3.41Å; F490-Y494 HydrophobicContact CD2-CE2 3.41Å; F490-Y494 VanDerWaalsContact CD2-CE2 3.41Å; F490-Y494 HydrophobicContact CE1-CD2 4.5Å; F490-Y494 AromaticContact CE2-CD2 3.37Å; F490-Y494 HydrophobicContact CE2-CD2 3.37Å; F490-Y494 AromaticContact CE2-CE2 3.46Å; F490-Y494 HydrophobicContact CE2-CE2 3.46Å; F490-Y494 VanDerWaalsContact CE2-CE2 3.46Å; F490-Y494 HydrophobicContact CE2-CG 4.43Å; F490-Y494 AromaticContact CG-CD2 4Å; F490-Y494 HydrophobicContact CG-CD2 4Å; F490-Y494 HydrophobicContact CG-CE2 4.38Å; F490-Y494 AromaticContact CZ-CD2 3.96Å; F490-Y494 HydrophobicContact CZ-CD2 3.96Å; F490-Y494 HydrophobicContact CZ-CE2 4.45Å; F490-Y494 WeakPolarHBondContact O-CD2 3.26Å; F490-Y494 PolarHBondContact O-N 3Å; V491-Y494 PolarHBondContact O-N 3.29Å; Y494-G496 PolarHBondContact O-N 3Å; Y494-T497 WeakPolarHBondContact CA-OG1 3.3Å; Y494-T497 WeakPolarHBondContact CD1-OG1 3.47Å; Y494-T497 PolarHBondContact O-N 3.5Å; Y494-T497 PolarHBondContact O-OG1 2.95Å; Y494-V499 WeakPolarHBondContact O-CG2 3.44Å
495A58.2Low57.1Low63 Ų6366.2 Ų66.252%0.52140%0.395SS..THydrogen-bonded Turntrans-53-25.8176.200000113.4V491V491-A495 WeakPolarHBondContact O-CA 3.45Å; V491-A495 VanDerWaalsContact O-CB 3.26Å; V491-A495 WeakPolarHBondContact O-CB 3.43Å; V491-A495 PolarHBondContact O-N 3.01Å
496G50.2Low54.7Low78 Ų7866.8 Ų66.880%0.80442%0.416SS*.THydrogen-bonded Turntrans-96.1-13.3177.800000116.5Y494Y494-G496 PolarHBondContact O-N 3Å
497T44Very low52.2Low104 Ų10470.1 Ų70.164%0.63844%0.444SS*.THydrogen-bonded Turntrans-105.122.2-171.143.50000114.5Y494Y494-T497 WeakPolarHBondContact CA-OG1 3.3Å; Y494-T497 WeakPolarHBondContact CD1-OG1 3.47Å; Y494-T497 PolarHBondContact O-N 3.5Å; Y494-T497 PolarHBondContact O-OG1 2.95Å
498G43.9Very low49.8Very low58 Ų5877.5 Ų77.560%0.59848%0.483SS*.THydrogen-bonded Turntrans9522.5177.600000115.3T500G498-T500 PolarHBondContact O-N 3.48Å
499V39.8Very low47.8Very low20 Ų2087.3 Ų87.312%0.12152%0.523CS..  trans-68.689.6154.1175.30000106.1F490 Y494 L501F490-V499 HydrophobicContact CE1-CG2 4.42Å; Y494-V499 WeakPolarHBondContact O-CG2 3.44Å; V499-L501 PolarHBondContact O-N 2.89Å
500T41.1Very low45.8Very low83 Ų8395 Ų9551%0.50955%0.551SS.*  trans-62.7105.4177.739.30000108.6G498 H502G498-T500 PolarHBondContact O-N 3.48Å; T500-H502 VanDerWaalsContact C-N 3.29Å; T500-H502 PolarHBondContact O-N 3.49Å
501L40.9Very low43.8Very low105 Ų10599.9 Ų99.955%0.5558%0.578SS.*  trans-55.9102.2151.6-72159.9000104.8V499 T503V499-L501 PolarHBondContact O-N 2.89Å; L501-T503 PolarHBondContact O-N 3.05Å
502H38.8Very low41.9Very low106 Ų106110.4 Ų110.449%0.49162%0.615SS.*THydrogen-bonded Turntrans-65.585.8178.5-75.4-76.9000109.5S400 T500S400-H502 PolarHBondContact OG-CD2 3.23Å; T500-H502 VanDerWaalsContact C-N 3.29Å; T500-H502 PolarHBondContact O-N 3.49Å
503T34.4Very low40.4Very low67 Ų67116.7 Ų116.741%0.41163%0.634SS.*THydrogen-bonded Turntrans-127.1-13164.537.30000112.7L501L501-T503 PolarHBondContact O-N 3.05Å
504H30.1Very low38.9Very low179 Ų179115.8 Ų115.883%0.82964%0.635SS**SBendtrans-135.9129.9172.7-67.7-71.8000112
505S29.9Very low37.7Very low111 Ų111121.4 Ų121.478%0.77666%0.662SS**  trans-75.1154.2-171.457.80000114.1
506S27.7Very low36.9Very low124 Ų124121 Ų12187%0.86766%0.664SS**  trans-44.2131.8164.8-36.50000114.6
507S25.5Very low36.5Very low106 Ų106122.6 Ų122.674%0.74165%0.654SS**  trans-114.2122.9150.861.20000109.7
508N30.1Very low36.3Very low155 Ų155122 Ų12283%0.82965%0.647SS**  trans24.7128.6159.5-71.1-10.8000121.4E510N508-E510 PolarHBondContact O-N 3.2Å
509K33.4Very low36.3Very low220 Ų220128.7 Ų128.796%0.95765%0.654SS**THydrogen-bonded Turntrans-69.318.2-177-112177.3-179.5178.30116.8
510E31.2Very low36.5Very low187 Ų187135 Ų13587%0.87468%0.676SS**THydrogen-bonded Turntrans-120.9-5.4-177.3-92.2-177.415400116.6N508N508-E510 PolarHBondContact O-N 3.2Å
511N34.8Very low36.5Very low107 Ų107135.2 Ų135.257%0.57267%0.674SS**  trans-107.618.3-172.8-106.7-6.3000117R513 T514N511-R513 PolarHBondContact O-N 3.04Å; N511-T514 PolarHBondContact O-N 3.08Å; N511-T514 PolarHBondContact O-OG1 3.26Å; N511-T514 PolarHBondContact OD1-OG1 2.93Å
512R39.1Very low36.7Very low241 Ų241136.9 Ų136.991%0.90968%0.679SS**THydrogen-bonded Turntrans-64.3-11.8-178.8-90.1-178.5164.6179.1-5.4115.7
513R39.3Very low36.9Very low245 Ų245135.2 Ų135.293%0.92568%0.684SS**THydrogen-bonded Turntrans-95.6-12.9179.5-82.9-177.3173172.3-2.2114.7N511N511-R513 PolarHBondContact O-N 3.04Å
514T37.9Very low37.2Very low60 Ų60137.3 Ų137.337%0.36869%0.692SS.*THydrogen-bonded Turntrans-104.8-15-173.440.80000114.3N511 L517 N518N511-T514 PolarHBondContact O-N 3.08Å; N511-T514 PolarHBondContact O-OG1 3.26Å; N511-T514 PolarHBondContact OD1-OG1 2.93Å; T514-L517 PolarHBondContact O-N 3.27Å; T514-N518 PolarHBondContact O-N 2.62Å; T514-N518 VanDerWaalsContact O-N 3.1Å
515E41.1Very low37.7Very low130 Ų130135.7 Ų135.761%0.60769%0.689SS**Hα-helixtrans-68.5-34.5177.5-73.6-177.9157.600113.5R519E515-R519 PolarHBondContact O-N 3.34Å; E515-R519 VanDerWaalsContact O-N 3.13Å
516G41.8Very low38Very low56 Ų56134.8 Ų134.858%0.57768%0.683SS**Hα-helixtrans-67.9-36.5176.600000112.9Y520G516-Y520 PolarHBondContact O-N 3.38Å
517L41.6Very low38.2Very low110 Ų110135.9 Ų135.958%0.57668%0.679SS**Hα-helixtrans-75.4-37.6179-161.173.3000111.6T514 Y520 L521T514-L517 PolarHBondContact O-N 3.27Å; L517-Y520 PolarHBondContact O-N 3.41Å; L517-L521 HydrophobicContact CG-CD1 4.34Å; L517-L521 WeakPolarHBondContact O-CB 3.28Å; L517-L521 WeakPolarHBondContact O-CG 3.28Å; L517-L521 PolarHBondContact O-N 2.9Å
518N38.9Very low38.8Very low93 Ų93136.8 Ų136.850%0.49768%0.683SS.*Hα-helixtrans-68.4-36.7176.4-90.6-30.9000113.1T514 Q522T514-N518 PolarHBondContact O-N 2.62Å; T514-N518 VanDerWaalsContact O-N 3.1Å; N518-Q522 WeakPolarHBondContact O-CB 3.41Å; N518-Q522 WeakPolarHBondContact O-CG 3.49Å; N518-Q522 PolarHBondContact O-N 3.09Å
519R45.2Very low38.8Very low197 Ų197134.2 Ų134.274%0.74368%0.677SS**Hα-helixtrans-66.4-36.9172.6-91.2-176.7174.4157.60.1112.7E515 A523E515-R519 PolarHBondContact O-N 3.34Å; E515-R519 VanDerWaalsContact O-N 3.13Å; R519-A523 WeakPolarHBondContact O-CB 3.27Å; R519-A523 PolarHBondContact O-N 3.45Å; R519-A523 VanDerWaalsContact O-N 3.1Å
520Y43Very low38.5Very low152 Ų152129.4 Ų129.460%0.59667%0.671SS**Hα-helixtrans-69.6-40.6176.7-173.8-101.8000112.1G516 L517 A523 L524G516-Y520 PolarHBondContact O-N 3.38Å; L517-Y520 PolarHBondContact O-N 3.41Å; Y520-A523 PolarHBondContact O-N 2.87Å; Y520-L524 HydrophobicContact CD1-CD1 4.01Å; Y520-L524 HydrophobicContact CE1-CD1 3.64Å; Y520-L524 PolarHBondContact O-N 3.12Å
521L41.9Very low38.4Very low89 Ų89127.2 Ų127.247%0.46667%0.67SS.*Hα-helixtrans-69-32175.4-73.1168.7000113.2L517L517-L521 HydrophobicContact CG-CD1 4.34Å; L517-L521 WeakPolarHBondContact O-CB 3.28Å; L517-L521 WeakPolarHBondContact O-CG 3.28Å; L517-L521 PolarHBondContact O-N 2.9Å
522Q44.7Very low38.1Very low140 Ų140128 Ų12865%0.65468%0.681SS**Hα-helixtrans-72.2-34.2173.7-78.3176.6-8.100112.8N518 L524 N525N518-Q522 WeakPolarHBondContact O-CB 3.41Å; N518-Q522 WeakPolarHBondContact O-CG 3.49Å; N518-Q522 PolarHBondContact O-N 3.09Å; Q522-L524 VanDerWaalsContact C-N 3.26Å; Q522-L524 PolarHBondContact O-N 3.49Å; Q522-N525 PolarHBondContact O-N 3.02Å
523A43.8Very low37.4Very low71 Ų71123 Ų12359%0.58768%0.677SS**Hα-helixtrans-68.6-23.8175.800000113.3R519 Y520R519-A523 WeakPolarHBondContact O-CB 3.27Å; R519-A523 PolarHBondContact O-N 3.45Å; R519-A523 VanDerWaalsContact O-N 3.1Å; Y520-A523 PolarHBondContact O-N 2.87Å
524L39.8Very low36.8Very low110 Ų110117.1 Ų117.158%0.57667%0.671SS**THydrogen-bonded Turntrans-83.3-15.3177.1-73.9166.7000113.9Y520 Q522Y520-L524 HydrophobicContact CD1-CD1 4.01Å; Y520-L524 HydrophobicContact CE1-CD1 3.64Å; Y520-L524 PolarHBondContact O-N 3.12Å; Q522-L524 VanDerWaalsContact C-N 3.26Å; Q522-L524 PolarHBondContact O-N 3.49Å
525N40.7Very low36.1Very low145 Ų145120 Ų12078%0.77569%0.693SS**SBendtrans-107.90.9-173.8-86.1-11000115.1Q522 N527Q522-N525 PolarHBondContact O-N 3.02Å; N525-N527 PolarHBondContact O-N 3.14Å
526S36.2Very low35.4Very low92 Ų92118.2 Ų118.264%0.64370%0.701SS**  trans-87.393.7174.955.40000111.3
527N32.8Very low34.6Very low148 Ų148123 Ų12379%0.79171%0.713SS**  trans-70.1138.5163.2-105.7-15.6000110.2N525 S529N525-N527 PolarHBondContact O-N 3.14Å; N527-S529 PolarHBondContact O-N 3.49Å; N527-S529 VanDerWaalsContact O-N 3.08Å
528P37.1Very low33.9Very low125 Ų125126.5 Ų126.581%0.81273%0.727SS**SBendtrans-86.178.1-176.934.4-32.9000111.2
529S31.6Very low33.3Very low101 Ų101131.6 Ų131.671%0.70675%0.747SS**  trans-162.985.116649.50000112.7N527N527-S529 PolarHBondContact O-N 3.49Å; N527-S529 VanDerWaalsContact O-N 3.08Å
530S25.5Very low32.3Very low118 Ų118125.8 Ų125.883%0.82575%0.749SS**  trans176.4115.5144.238.50000110.7
531T30Very low31.4Very low142 Ų142121.7 Ų121.787%0.87175%0.746SS**  trans-81131.6162.533.50000110.1
532P27.8Very low30.7Very low122 Ų122121.4 Ų121.479%0.79275%0.752SS**  trans-107.2135.4157.611.29.2000111.8
533V24.3Very low29.8Very low136 Ų136122.7 Ų122.782%0.82476%0.758SS**PPolyproline II helixtrans-66.9139.2172.9-179.30000110.2
534P27.8Very low29Very low123 Ų123122.7 Ų122.780%0.79976%0.758SS**PPolyproline II helixtrans-82.4124.1176.331.3-30.3000111.4
535S22.6Very low28.4Very low119 Ų119122.8 Ų122.883%0.83276%0.759SS**PPolyproline II helixtrans-75.9143.9169.636.60000111.8D537S535-D537 PolarHBondContact O-N 3.32Å
536A26.9Very low27.9Very low94 Ų94124.3 Ų124.378%0.77776%0.759SS**SBendtrans-74.8114.4176.700000110.5
537D25.4Very low27.9Very low155 Ų155124.4 Ų124.483%0.82976%0.755SS**  trans173.872146.6-91.9-22000111.1S535S535-D537 PolarHBondContact O-N 3.32Å
538Q25.7Very low28.1Very low185 Ų185122 Ų12286%0.86474%0.741SS**  trans-148.578.8162.2-72-168.23.500109.9
539Q27.7Very low28.5Very low199 Ų199118.7 Ų118.793%0.9372%0.722SS**  trans-104.314.8179.2-76.7-177.90.200114.6
540G24.3Very low29.6Very low75 Ų75115.6 Ų115.677%0.77370%0.702SS**SBendtrans-95.6-16.1179.200000116.7
541A24.1Very low32Very low66 Ų66110.9 Ų110.955%0.54567%0.669SS.*SBendtrans-90.6-14-167.900000115.1E543A541-E543 PolarHBondContact O-N 3.01Å
542S26.1Very low34.5Very low83 Ų83104.5 Ų104.558%0.5863%0.63SS**THydrogen-bonded Turntrans-77.6-14.5-169.1170.70000115.4
543E26.9Very low37.3Very low168 Ų16898.7 Ų98.779%0.78559%0.592SS**THydrogen-bonded Turntrans-90.7-27.3177.8-84.8-176.2161.100113.3A541 D545A541-E543 PolarHBondContact O-N 3.01Å; E543-D545 VanDerWaalsContact C-N 3.3Å; E543-D545 PolarHBondContact O-N 3.03Å
544A26.4Very low40.1Very low70 Ų7094 Ų9458%0.57956%0.562SS**G310 helixtrans-67.8-29.9176.300000112.5K546 V547A544-K546 VanDerWaalsContact C-N 3.35Å; A544-K546 PolarHBondContact O-N 3.24Å; A544-V547 PolarHBondContact O-N 3.08Å
545D26.5Very low42.9Very low112 Ų11290.5 Ų90.560%0.59954%0.535SS*.G310 helixtrans-72.2-21.8-177.6-90.7-12.4000114.5E543 V547 L548E543-D545 VanDerWaalsContact C-N 3.3Å; E543-D545 PolarHBondContact O-N 3.03Å; D545-V547 VanDerWaalsContact C-N 3.33Å; D545-V547 PolarHBondContact O-N 2.82Å; D545-L548 HydrophobicContact CB-CD1 4.44Å; D545-L548 PolarHBondContact O-N 3.01Å; D545-L548 WeakPolarHBondContact OD1-CD1 3.21Å
546K30.9Very low46.1Very low178 Ų17884.9 Ų84.977%0.77450%0.495SS*.G310 helixtrans-75.9-20.5179.1-81.8-175.1176.1-178.80113.8A544 L548A544-K546 VanDerWaalsContact C-N 3.35Å; A544-K546 PolarHBondContact O-N 3.24Å; K546-L548 VanDerWaalsContact C-N 3.3Å
547V34.9Very low49.1Very low94 Ų9482.9 Ų82.957%0.5747%0.47SS*.G310 helixtrans-84.5-6.6178.7-1750000111.7A544 D545 S549A544-V547 PolarHBondContact O-N 3.08Å; D545-V547 VanDerWaalsContact C-N 3.33Å; D545-V547 PolarHBondContact O-N 2.82Å; V547-S549 VanDerWaalsContact C-N 3.31Å; V547-S549 PolarHBondContact O-N 3.42Å
548L38Very low52Low96 Ų9676.9 Ų76.950%0.50345%0.445SS..G310 helixtrans-78.40.4-176.2-68.3173.3000115.7D545 K546D545-L548 HydrophobicContact CB-CD1 4.44Å; D545-L548 PolarHBondContact O-N 3.01Å; D545-L548 WeakPolarHBondContact OD1-CD1 3.21Å; K546-L548 VanDerWaalsContact C-N 3.3Å
549S45.4Very low55.1Low57 Ų5768 Ų6840%0.39940%0.404SS..G310 helixtrans-99.5-2.6-169.187.40000117S259 V547S259-S549 PolarHBondContact OG-O 3.33Å; S259-S549 PolarHBondContact OG-OG 2.95Å; V547-S549 VanDerWaalsContact C-N 3.31Å; V547-S549 PolarHBondContact O-N 3.42Å
550A55.4Low58.1Low36 Ų3658.6 Ų58.630%0.29836%0.359SS..SBendtrans-102.4135.817400000110.5P552 Q555A550-P552 VanDerWaalsContact O-CD 3.3Å; A550-P552 WeakPolarHBondContact O-CD 3.34Å; A550-Q555 HydrophobicContact CB-CG 4.3Å
551S74.8Confident61.1Low19 Ų1958.5 Ų58.513%0.13334%0.341CS..  trans-57.9119.4170.7173.70000108.7M553 M554 Q555S551-M553 PolarHBondContact O-N 3.28Å; S551-M554 WeakPolarHBondContact O-CB 3.47Å; S551-M554 PolarHBondContact O-N 3.19Å; S551-Q555 PolarHBondContact O-N 3.26Å
552P82.7Confident64.2Low7 Ų755.7 Ų55.75%0.04532%0.317CS..Hα-helixtrans-53.8-32.3-178.3-27.434.7000112.6R397 A398 A550 Q555 V556R397-P552 HydrophobicContact CB-CB 4.49Å; R397-P552 HydrophobicContact CB-CG 4.2Å; R397-P552 HydrophobicContact CG-CG 3.89Å; A398-P552 HydrophobicContact CB-CB 4Å; A550-P552 VanDerWaalsContact O-CD 3.3Å; A550-P552 WeakPolarHBondContact O-CD 3.34Å; P552-Q555 PolarHBondContact O-N 3.08Å; P552-V556 WeakPolarHBondContact O-CG2 3.21Å; P552-V556 PolarHBondContact O-N 3.21Å; P552-V556 VanDerWaalsContact O-N 3.1Å
553M86.8Confident67.1Low1 Ų152 Ų521%0.00529%0.291CS..Hα-helixtrans-69.8-32180-160.162.1-126.400113.7A398 L402 I424 I428 F478 L487 S551 Q555 V556 E557A398-M553 HydrophobicContact CB-SD 4.22Å; L402-M553 HydrophobicContact CD2-SD 4.48Å; I424-M553 HydrophobicContact CG2-CE 3.72Å; I428-M553 HydrophobicContact CD1-CE 4.21Å; I428-M553 HydrophobicContact CD1-SD 4.27Å; F478-M553 HydrophobicContact CE1-CE 3.38Å; F478-M553 HydrophobicContact CE1-CG 4.45Å; F478-M553 HydrophobicContact CZ-CE 3.37Å; L487-M553 HydrophobicContact CD2-CB 3.89Å; L487-M553 HydrophobicContact CD2-CG 3.87Å; L487-M553 HydrophobicContact CD2-SD 4.22Å; S551-M553 PolarHBondContact O-N 3.28Å; M553-Q555 VanDerWaalsContact C-N 3.31Å; M553-V556 HydrophobicContact CE-CB 3.7Å; M553-V556 HydrophobicContact CE-CG1 3.53Å; M553-V556 PolarHBondContact O-N 3.36Å; M553-V556 HydrophobicContact SD-CB 4.47Å; M553-E557 WeakPolarHBondContact O-CB 3.17Å; M553-E557 PolarHBondContact O-N 3.29Å
554M83.8Confident70Confident36 Ų3645.3 Ų45.318%0.17726%0.262CS..Hα-helixtrans-69.6-32.9175.2-68.8175.7177.700111.7Q261 R485 S551 E557 G558Q261-M554 HydrophobicContact CG-SD 3.93Å; Q261-M554 PolarHBondContact NE2-SD 3.42Å; R485-M554 HydrophobicContact CB-CE 4.28Å; R485-M554 HydrophobicContact CG-CE 3.42Å; R485-M554 VanDerWaalsContact CG-CE 3.42Å; S551-M554 WeakPolarHBondContact O-CB 3.47Å; S551-M554 PolarHBondContact O-N 3.19Å; M554-E557 PolarHBondContact O-N 3.31Å; M554-G558 PolarHBondContact O-N 3.46Å
555Q86.3Confident72.9Confident51 Ų5143.6 Ų43.624%0.23824%0.243CC..Hα-helixtrans-67.7-41.4173.3-61.6174.5-46.600110.1L390 Q394 A550 S551 P552 M553 G558 F559L390-Q555 HydrophobicContact CD2-CB 3.61Å; Q394-Q555 VanDerWaalsContact NE2-NE2 3.2Å; A550-Q555 HydrophobicContact CB-CG 4.3Å; S551-Q555 PolarHBondContact O-N 3.26Å; P552-Q555 PolarHBondContact O-N 3.08Å; M553-Q555 VanDerWaalsContact C-N 3.31Å; Q555-G558 PolarHBondContact O-N 3.48Å; Q555-F559 PolarHBondContact O-N 3.24Å
556V89.6Confident75.5Confident0 Ų041 Ų410%023%0.234CC..Hα-helixtrans-61.8-43.5175175.30000111.2L390 L395 A398 I428 P552 M553 G558 F559 F560L390-V556 HydrophobicContact CD1-CG2 4.14Å; L390-V556 HydrophobicContact CD2-CG2 4.17Å; L395-V556 HydrophobicContact CD2-CG2 4.23Å; A398-V556 HydrophobicContact CB-CG2 4.02Å; I428-V556 HydrophobicContact CD1-CG1 4.3Å; I428-V556 HydrophobicContact CG1-CG1 4.12Å; P552-V556 WeakPolarHBondContact O-CG2 3.21Å; P552-V556 PolarHBondContact O-N 3.21Å; P552-V556 VanDerWaalsContact O-N 3.1Å; M553-V556 HydrophobicContact CE-CB 3.7Å; M553-V556 HydrophobicContact CE-CG1 3.53Å; M553-V556 PolarHBondContact O-N 3.36Å; M553-V556 HydrophobicContact SD-CB 4.47Å; V556-G558 PolarHBondContact O-N 3.05Å; V556-F559 PolarHBondContact O-N 2.93Å; V556-F560 HydrophobicContact CG1-CD1 4.01Å; V556-F560 HydrophobicContact CG1-CE1 3.53Å; V556-F560 HydrophobicContact CG1-CE2 4.34Å; V556-F560 HydrophobicContact CG1-CZ 3.69Å; V556-F560 VanDerWaalsContact O-CD1 3.28Å; V556-F560 WeakPolarHBondContact O-CD1 3.32Å; V556-F560 PolarHBondContact O-N 3.16Å
557E88.9Confident78Confident52 Ų5234.9 Ų34.924%0.24321%0.209CC..Hα-helixtrans-57.7-47.1173.4178.2-179.3-17600111.8F478 S484 M553 M554 F559 F560 L561F478-E557 HydrophobicContact CB-CG 3.92Å; F478-E557 HydrophobicContact CD1-CB 4.03Å; F478-E557 HydrophobicContact CD1-CG 3.98Å; F478-E557 HydrophobicContact CE1-CB 4.28Å; F478-E557 HydrophobicContact CG-CB 4.34Å; F478-E557 HydrophobicContact CG-CG 3.92Å; S484-E557 VanDerWaalsContact CB-OE2 3.24Å; S484-E557 WeakPolarHBondContact CB-OE2 3.47Å; S484-E557 PolarHBondContact OG-OE2 3.12Å; M553-E557 WeakPolarHBondContact O-CB 3.17Å; M553-E557 PolarHBondContact O-N 3.29Å; M554-E557 PolarHBondContact O-N 3.31Å; E557-F559 VanDerWaalsContact C-N 3.32Å; E557-F559 PolarHBondContact O-N 3.41Å; E557-F560 PolarHBondContact O-N 2.72Å; E557-L561 PolarHBondContact O-N 3.47Å
558G87.4Confident80.2Confident29 Ų2933.7 Ų33.730%0.29920%0.202SC..Hα-helixtrans-61-38.1175.900000113.1M554 Q555 V556 A562M554-G558 PolarHBondContact O-N 3.46Å; Q555-G558 PolarHBondContact O-N 3.48Å; V556-G558 PolarHBondContact O-N 3.05Å; G558-A562 PolarHBondContact O-N 3.01Å
559F91.1Very high82.4Confident0 Ų030.1 Ų30.10%018%0.184CC..Hα-helixtrans-68.5-39.3174.8-174.4-102.6000112.5A388 L390 L431 F460 Q555 V556 E557 L561 A562 L563 V572 V585 F587A388-F559 HydrophobicContact CB-CB 4.16Å; A388-F559 HydrophobicContact CB-CD2 4.04Å; L390-F559 HydrophobicContact CD1-CB 3.46Å; L390-F559 VanDerWaalsContact CD1-CB 3.46Å; L390-F559 HydrophobicContact CD1-CD1 3.59Å; L390-F559 HydrophobicContact CD1-CD2 4.18Å; L390-F559 HydrophobicContact CD1-CE1 4.4Å; L390-F559 HydrophobicContact CD1-CG 3.47Å; L390-F559 VanDerWaalsContact CD1-CG 3.47Å; L390-F559 HydrophobicContact CD2-CB 4.42Å; L390-F559 HydrophobicContact CG-CB 3.81Å; L390-F559 HydrophobicContact CG-CD1 4.49Å; L390-F559 HydrophobicContact CG-CD2 4.24Å; L390-F559 HydrophobicContact CG-CG 3.94Å; L431-F559 HydrophobicContact CD1-CD1 4.28Å; L431-F559 HydrophobicContact CD1-CE1 4.19Å; L431-F559 HydrophobicContact CD2-CE1 4.15Å; F460-F559 HydrophobicContact CE1-CE1 4.48Å; F460-F559 HydrophobicContact CE1-CZ 4.47Å; Q555-F559 PolarHBondContact O-N 3.24Å; V556-F559 PolarHBondContact O-N 2.93Å; E557-F559 VanDerWaalsContact C-N 3.32Å; E557-F559 PolarHBondContact O-N 3.41Å; F559-L561 VanDerWaalsContact C-N 3.34Å; F559-A562 WeakPolarHBondContact O-CB 3.48Å; F559-A562 PolarHBondContact O-N 3.38Å; F559-A562 VanDerWaalsContact O-N 3.14Å; F559-L563 HydrophobicContact CD1-CD1 4.04Å; F559-L563 HydrophobicContact CD1-CG 4.38Å; F559-L563 HydrophobicContact CE1-CD1 3.6Å; F559-L563 HydrophobicContact CE1-CD2 4.35Å; F559-L563 HydrophobicContact CE1-CG 4.02Å; F559-L563 HydrophobicContact CZ-CD1 4.26Å; F559-L563 HydrophobicContact CZ-CD2 4.18Å; F559-L563 HydrophobicContact CZ-CG 4.28Å; F559-L563 WeakPolarHBondContact O-CG 3.47Å; F559-L563 PolarHBondContact O-N 3.49Å; F559-V572 HydrophobicContact CZ-CG1 4.45Å; F559-V585 HydrophobicContact CE1-CG1 4.18Å; F559-V585 HydrophobicContact CE2-CG1 3.82Å; F559-V585 HydrophobicContact CZ-CB 4.32Å; F559-V585 HydrophobicContact CZ-CG1 3.35Å; F559-F587 HydrophobicContact CD2-CB 4.25Å; F559-F587 HydrophobicContact CE2-CB 3.87Å
560F90Very high84.4Confident1 Ų127.4 Ų27.40%0.00417%0.165CC..Hα-helixtrans-65.6-40.1176.6-76.719.3000111.2I424 V427 L431 L474 F478 V556 E557 A562 L563 T564I424-F560 HydrophobicContact CG2-CE2 4.5Å; V427-F560 HydrophobicContact CB-CE1 4.49Å; V427-F560 HydrophobicContact CB-CE2 4.2Å; V427-F560 HydrophobicContact CB-CZ 3.68Å; V427-F560 HydrophobicContact CG1-CE1 3.57Å; V427-F560 HydrophobicContact CG1-CE2 3.99Å; V427-F560 HydrophobicContact CG1-CZ 3.22Å; L431-F560 HydrophobicContact CD1-CE1 4.11Å; L474-F560 HydrophobicContact CD1-CE2 4.36Å; F478-F560 HydrophobicContact CD2-CD2 4.49Å; F478-F560 AromaticContact CE2-CD2 3.64Å; F478-F560 HydrophobicContact CE2-CD2 3.64Å; F478-F560 AromaticContact CE2-CE2 3.96Å; F478-F560 HydrophobicContact CE2-CE2 3.96Å; F478-F560 HydrophobicContact CZ-CD2 4.3Å; F478-F560 HydrophobicContact CZ-CE2 4.31Å; V556-F560 HydrophobicContact CG1-CD1 4.01Å; V556-F560 HydrophobicContact CG1-CE1 3.53Å; V556-F560 HydrophobicContact CG1-CE2 4.34Å; V556-F560 HydrophobicContact CG1-CZ 3.69Å; V556-F560 VanDerWaalsContact O-CD1 3.28Å; V556-F560 WeakPolarHBondContact O-CD1 3.32Å; V556-F560 PolarHBondContact O-N 3.16Å; E557-F560 PolarHBondContact O-N 2.72Å; F560-A562 VanDerWaalsContact C-N 3.3Å; F560-A562 PolarHBondContact O-N 2.97Å; F560-L563 PolarHBondContact O-N 3.11Å; F560-T564 PolarHBondContact O-N 3.36Å
561L87.5Confident86.1Confident73 Ų7327 Ų2738%0.38216%0.156SC..Hα-helixtrans-59.9-40.9170.6176.265.5000111.3Q475 E557 F559 L563 T564Q475-L561 HydrophobicContact CG-CD1 4.24Å; E557-L561 PolarHBondContact O-N 3.47Å; F559-L561 VanDerWaalsContact C-N 3.34Å; L561-L563 VanDerWaalsContact C-N 3.28Å; L561-L563 PolarHBondContact O-N 3.45Å; L561-T564 PolarHBondContact O-N 3Å; L561-T564 PolarHBondContact O-OG1 3.47Å
562A88.1Confident86.9Confident6 Ų626.1 Ų26.15%0.0515%0.149CC..Hα-helixtrans-61.9-35.8176.100000112.5A388 G558 F559 F560 T564 N565 F587A388-A562 HydrophobicContact CB-CB 3.99Å; G558-A562 PolarHBondContact O-N 3.01Å; F559-A562 WeakPolarHBondContact O-CB 3.48Å; F559-A562 PolarHBondContact O-N 3.38Å; F559-A562 VanDerWaalsContact O-N 3.14Å; F560-A562 VanDerWaalsContact C-N 3.3Å; F560-A562 PolarHBondContact O-N 2.97Å; A562-T564 VanDerWaalsContact C-N 3.26Å; A562-T564 PolarHBondContact O-N 3.36Å; A562-N565 WeakPolarHBondContact O-CB 3.3Å; A562-N565 PolarHBondContact O-N 2.94Å; A562-N565 PolarHBondContact O-ND2 2.97Å; A562-F587 HydrophobicContact CB-CB 3.85Å; A562-F587 HydrophobicContact CB-CD1 3.36Å; A562-F587 HydrophobicContact CB-CD2 4.49Å; A562-F587 HydrophobicContact CB-CE1 4.01Å; A562-F587 HydrophobicContact CB-CG 3.64Å; A562-F587 WeakPolarHBondContact O-CE1 3.41Å; A562-F587 WeakPolarHBondContact O-CE2 3.45Å; A562-F587 VanDerWaalsContact O-CZ 3.27Å; A562-F587 WeakPolarHBondContact O-CZ 3.33Å
563L88.4Confident87.3Confident7 Ų725.8 Ų25.84%0.03715%0.147CC..THydrogen-bonded Turntrans-72.5-11177.5-67.8178000114.4I457 F460 L461 L471 F559 F560 L561 N565 V572 F587I457-L563 HydrophobicContact CG2-CD2 4.33Å; F460-L563 HydrophobicContact CD1-CD2 4.33Å; F460-L563 HydrophobicContact CE1-CD1 4.37Å; F460-L563 HydrophobicContact CE1-CD2 4.44Å; L461-L563 HydrophobicContact CD2-CD1 4.5Å; L471-L563 HydrophobicContact CD1-CB 3.9Å; L471-L563 HydrophobicContact CD1-CD1 4.22Å; F559-L563 HydrophobicContact CD1-CD1 4.04Å; F559-L563 HydrophobicContact CD1-CG 4.38Å; F559-L563 HydrophobicContact CE1-CD1 3.6Å; F559-L563 HydrophobicContact CE1-CD2 4.35Å; F559-L563 HydrophobicContact CE1-CG 4.02Å; F559-L563 HydrophobicContact CZ-CD1 4.26Å; F559-L563 HydrophobicContact CZ-CD2 4.18Å; F559-L563 HydrophobicContact CZ-CG 4.28Å; F559-L563 WeakPolarHBondContact O-CG 3.47Å; F559-L563 PolarHBondContact O-N 3.49Å; F560-L563 PolarHBondContact O-N 3.11Å; L561-L563 VanDerWaalsContact C-N 3.28Å; L561-L563 PolarHBondContact O-N 3.45Å; L563-N565 VanDerWaalsContact C-N 3.27Å; L563-V572 HydrophobicContact CD2-CG2 3.75Å; L563-F587 HydrophobicContact CD2-CD2 4.35Å
564T87.6Confident87.5Confident27 Ų2725.8 Ų25.817%0.16615%0.147CC..THydrogen-bonded Turntrans-84.1-1.3175.265.20000113.6L471 F472 Q475 F560 L561 A562L471-T564 HydrophobicContact CB-CG2 4.22Å; F472-T564 HydrophobicContact CD1-CG2 4.04Å; F472-T564 HydrophobicContact CE1-CG2 4.13Å; F472-T564 HydrophobicContact CG-CG2 4.4Å; Q475-T564 PolarHBondContact OE1-OG1 3.23Å; F560-T564 PolarHBondContact O-N 3.36Å; L561-T564 PolarHBondContact O-N 3Å; L561-T564 PolarHBondContact O-OG1 3.47Å; A562-T564 VanDerWaalsContact C-N 3.26Å; A562-T564 PolarHBondContact O-N 3.36Å
565N86.7Confident87.8Confident34 Ų3426.3 Ų26.318%0.18215%0.149CC..SBendtrans-67.5162.7170.9-73.8-65.1000112.4I457 A562 L563 F587 H595I457-N565 WeakPolarHBondContact CD1-O 3.46Å; A562-N565 WeakPolarHBondContact O-CB 3.3Å; A562-N565 PolarHBondContact O-N 2.94Å; A562-N565 PolarHBondContact O-ND2 2.97Å; L563-N565 VanDerWaalsContact C-N 3.27Å; N565-F587 HydrophobicContact CB-CZ 3.85Å; N565-H595 PolarHBondContact OD1-CE1 2.99Å; N565-H595 PolarHBondContact OD1-NE2 3.48Å
566S81.4Confident87.8Confident58 Ų5825.8 Ų25.841%0.40615%0.146SC..  trans-60.8140.9175.7-179.90000111.7I457 T568 D569I457-S566 WeakPolarHBondContact CD1-O 3.4Å; S566-T568 PolarHBondContact O-N 2.76Å; S566-T568 VanDerWaalsContact O-N 3.14Å; S566-T568 PolarHBondContact OG-N 3.21Å; S566-T568 PolarHBondContact OG-OG1 3.32Å; S566-D569 VanDerWaalsContact CB-OD2 3.27Å; S566-D569 WeakPolarHBondContact CB-OD2 3.49Å; S566-D569 PolarHBondContact O-N 3.28Å
567N82.8Confident87.5Confident49 Ų4929.9 Ų29.926%0.26217%0.165SC..THydrogen-bonded Turntrans-60.2-23.5176.1-174.366.2000113.1T456 I457 N458 R571T456-N567 WeakPolarHBondContact CB-OD1 3.35Å; I457-N567 WeakPolarHBondContact CB-OD1 3.43Å; I457-N567 PolarHBondContact N-OD1 3.48Å; N458-N567 PolarHBondContact N-OD1 2.92Å; N567-R571 PolarHBondContact O-NH1 3.44Å
568T81.5Confident87Confident69 Ų6929.3 Ų29.342%0.42317%0.174SC..THydrogen-bonded Turntrans-73.8-35.2175.953.30000112.5S566 R571 Y805S566-T568 PolarHBondContact O-N 2.76Å; S566-T568 VanDerWaalsContact O-N 3.14Å; S566-T568 PolarHBondContact OG-N 3.21Å; S566-T568 PolarHBondContact OG-OG1 3.32Å; T568-R571 PolarHBondContact O-NH1 3.49Å; T568-Y805 VanDerWaalsContact O-CE2 3.26Å; T568-Y805 WeakPolarHBondContact O-CE2 3.32Å
569D83.6Confident86.8Confident21 Ų2129.3 Ų29.311%0.11217%0.168CC..THydrogen-bonded Turntrans-93.7-11.3-162.8-62.8-30.6000113.7S566 L589 L590 N591S566-D569 VanDerWaalsContact CB-OD2 3.27Å; S566-D569 WeakPolarHBondContact CB-OD2 3.49Å; S566-D569 PolarHBondContact O-N 3.28Å; D569-L589 HydrophobicContact CB-CD1 4.45Å; D569-L590 WeakPolarHBondContact O-CA 3.43Å; D569-L590 WeakPolarHBondContact O-CB 3.11Å; D569-L590 PolarHBondContact O-N 2.74Å; D569-N591 HydrophobicContact CB-CB 3.97Å; D569-N591 PolarHBondContact O-N 2.96Å; D569-N591 PolarHBondContact OD1-ND2 2.86Å
570G87.4Confident86.4Confident0 Ų029.3 Ų29.30%017%0.168CC..EExtended strand (participates in β ladder)trans-140.3166.6-178.100000114.5L588G570-L588 CarbonylContact C-O 3.43Å; G570-L588 VanDerWaalsContact CA-O 3.25Å; G570-L588 WeakPolarHBondContact CA-O 3.23Å
571R91.4Very high85.9Confident28 Ų2830.5 Ų30.511%0.10618%0.176CC..EExtended strand (participates in β ladder)trans-137.6151.3176.2-66.6-68.6-173.5-79.4-11.8110.9M454 Y455 N567 T568 F587 L588 L590 E801M454-R571 HydrophobicContact CE-CB 4.05Å; M454-R571 HydrophobicContact CE-CG 4.41Å; Y455-R571 WeakPolarHBondContact O-CA 3.28Å; Y455-R571 WeakPolarHBondContact O-CD 3.3Å; N567-R571 PolarHBondContact O-NH1 3.44Å; T568-R571 PolarHBondContact O-NH1 3.49Å; R571-F587 WeakPolarHBondContact O-CA 3.48Å; R571-L588 PolarHBondContact N-O 2.95Å; R571-L588 PolarHBondContact O-N 3.14Å; R571-L590 HydrophobicContact CG-CD1 3.58Å; R571-L590 HydrophobicContact CG-CG 4.3Å; R571-E801 HydrophobicContact CG-CG 3.9Å; R571-E801 IonicContact CZ-OE1 2.71Å; R571-E801 VanDerWaalsContact CZ-OE1 3.29Å; R571-E801 IonicContact NE-OE1 3.49Å; R571-E801 PolarHBondContact NE-OE1 3.17Å; R571-E801 IonicContact NH2-OE1 3.63Å; R571-E801 PolarHBondContact NH2-OE1 3.1Å
572V92.1Very high85.7Confident0 Ų032.2 Ų32.20%018%0.182CC..EExtended strand (participates in β ladder)trans-105.2118.7173.1-175.20000108.7M454 Y455 F460 F559 L563 L574 V585 K586 F587M454-V572 WeakPolarHBondContact CA-O 3.45Å; Y455-V572 PolarHBondContact N-O 3.3Å; Y455-V572 PolarHBondContact O-N 3.08Å; F460-V572 HydrophobicContact CB-CB 4.1Å; F460-V572 HydrophobicContact CB-CG1 4.49Å; F460-V572 HydrophobicContact CB-CG2 4.1Å; F460-V572 HydrophobicContact CD1-CB 4.24Å; F460-V572 HydrophobicContact CD1-CG1 3.98Å; F460-V572 HydrophobicContact CD1-CG2 3.87Å; F460-V572 HydrophobicContact CD2-CB 4.22Å; F460-V572 HydrophobicContact CD2-CG1 3.72Å; F460-V572 HydrophobicContact CE1-CG1 4.06Å; F460-V572 HydrophobicContact CE1-CG2 4.5Å; F460-V572 HydrophobicContact CE2-CG1 3.84Å; F460-V572 HydrophobicContact CG-CB 3.91Å; F460-V572 HydrophobicContact CG-CG1 3.78Å; F460-V572 HydrophobicContact CG-CG2 3.97Å; F460-V572 HydrophobicContact CZ-CG1 3.97Å; F559-V572 HydrophobicContact CZ-CG1 4.45Å; L563-V572 HydrophobicContact CD2-CG2 3.75Å; V572-L574 HydrophobicContact CG1-CD2 4.45Å; V572-V585 HydrophobicContact CG1-CG1 3.65Å; V572-K586 CarbonylContact C-O 3.58Å; V572-K586 WeakPolarHBondContact CA-O 3.41Å; V572-F587 HydrophobicContact CG2-CD2 4.31Å
573V91.6Very high85.7Confident0 Ų031.9 Ų31.90%018%0.18CC..EExtended strand (participates in β ladder)trans-97.9126.4176.3-1720000108.5T452 M454 Q575 V585 K586 L588T452-V573 HydrophobicContact CG2-CG1 3.75Å; M454-V573 HydrophobicContact CE-CG2 3.96Å; M454-V573 HydrophobicContact CG-CG1 4.49Å; M454-V573 HydrophobicContact CG-CG2 4.32Å; V573-Q575 HydrophobicContact CG1-CG 3.96Å; V573-V585 WeakPolarHBondContact O-CA 3.4Å; V573-K586 HydrophobicContact CB-CB 4.38Å; V573-K586 PolarHBondContact N-O 2.92Å; V573-K586 PolarHBondContact O-N 3.4Å; V573-L588 HydrophobicContact CG2-CB 4.43Å
574L90.4Very high85.8Confident1 Ų131.8 Ų31.81%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-105115170.3-58.6179.2000108.6V434 T452 E453 Y455 F460 V572 V585V434-L574 HydrophobicContact CG1-CD1 3.24Å; V434-L574 HydrophobicContact CG1-CD2 3.91Å; V434-L574 HydrophobicContact CG1-CG 4.23Å; T452-L574 VanDerWaalsContact CA-O 3.29Å; T452-L574 WeakPolarHBondContact CA-O 3.47Å; E453-L574 HydrophobicContact CB-CB 4.37Å; E453-L574 PolarHBondContact N-O 3.33Å; E453-L574 PolarHBondContact O-N 2.66Å; Y455-L574 HydrophobicContact CD2-CD1 3.87Å; Y455-L574 HydrophobicContact CD2-CG 4.25Å; Y455-L574 HydrophobicContact CE2-CD1 3.63Å; Y455-L574 HydrophobicContact CE2-CG 4.37Å; F460-L574 HydrophobicContact CD2-CD2 4.44Å; F460-L574 HydrophobicContact CE2-CD2 3.81Å; V572-L574 HydrophobicContact CG1-CD2 4.45Å; L574-V585 HydrophobicContact CD2-CB 4.09Å; L574-V585 HydrophobicContact CD2-CG1 3.76Å; L574-V585 HydrophobicContact CD2-CG2 3.54Å
575Q89.2Confident86.1Confident47 Ų4730.5 Ų30.522%0.2217%0.172CC..EExtended strand (participates in β ladder)trans-105.5104.9173.4-62.3-174.413.800108.1T452 V573 S583 S584T452-Q575 HydrophobicContact CG2-CG 4.2Å; V573-Q575 HydrophobicContact CG1-CG 3.96Å; Q575-S583 CarbonylContact O-C 3.59Å; Q575-S583 WeakPolarHBondContact O-CA 3.45Å; Q575-S583 WeakPolarHBondContact O-CB 3.49Å; Q575-S584 PolarHBondContact N-O 3.43Å; Q575-S584 PolarHBondContact O-N 3.19Å
576K87Confident86.4Confident40 Ų4030.7 Ų30.717%0.17417%0.171CC..EExtended strand (participates in β ladder)trans-95.1127.2172.8-64.6173.7179.7170.50108.3V434 Q449 A450 G451 E453 S583V434-K576 WeakPolarHBondContact O-CE 3.32Å; V434-K576 PolarHBondContact O-NZ 2.76Å; V434-K576 VanDerWaalsContact O-NZ 3.12Å; Q449-K576 WeakPolarHBondContact O-CB 3.4Å; A450-K576 VanDerWaalsContact CA-O 3.3Å; A450-K576 WeakPolarHBondContact CA-O 3.4Å; G451-K576 PolarHBondContact N-O 2.93Å; G451-K576 PolarHBondContact O-N 3.23Å; E453-K576 IonicContact OE2-NZ 3.29Å; K576-S583 WeakPolarHBondContact CA-OG 3.46Å
577Q84.1Confident86.9Confident85 Ų8527.9 Ų27.940%0.39715%0.152SC..  trans-111.2-163.7176.5-62.9-16116.500110.2T448 T579 E582 S583T448-Q577 CarbonylContact C-O 3.25Å; T448-Q577 WeakPolarHBondContact CB-O 3.36Å; T448-Q577 VanDerWaalsContact O-O 3.1Å; T448-Q577 PolarHBondContact OG1-O 3.43Å; Q577-T579 VanDerWaalsContact C-N 3.26Å; Q577-T579 PolarHBondContact O-N 3.28Å; Q577-E582 HydrophobicContact CB-CB 3.82Å; Q577-E582 HydrophobicContact CG-CB 4.36Å; Q577-S583 PolarHBondContact N-OG 3.35Å
578G77.4Confident87.3Confident41 Ų4126.6 Ų26.642%0.42314%0.144SC..SBendtrans-65.1-31179.900000113T447 T448T447-G578 VanDerWaalsContact CA-O 3.32Å; T447-G578 WeakPolarHBondContact CA-O 3.35Å; T448-G578 PolarHBondContact N-O 2.9Å; T448-G578 VanDerWaalsContact N-O 3.08Å
579T83.4Confident87.7Confident28 Ų2823.5 Ų23.517%0.17213%0.125CC..BIsolated β-bridgetrans-124.3155.6179.263.20000112.4Q446 T448 Q577 S581 E582 S583Q446-T579 WeakPolarHBondContact O-CA 3.35Å; T448-T579 PolarHBondContact OG1-O 3.38Å; Q577-T579 VanDerWaalsContact C-N 3.26Å; Q577-T579 PolarHBondContact O-N 3.28Å; T579-S581 PolarHBondContact O-N 2.98Å; T579-S581 PolarHBondContact OG1-OG 3.3Å; T579-E582 PolarHBondContact O-N 3.26Å; T579-E582 VanDerWaalsContact OG1-CD 3.31Å; T579-E582 WeakPolarHBondContact OG1-CG 3.45Å; T579-E582 PolarHBondContact OG1-N 3.45Å; T579-E582 PolarHBondContact OG1-OE2 2.85Å; T579-S583 PolarHBondContact O-N 3.37Å; T579-S583 VanDerWaalsContact O-N 3.15Å; T579-S583 PolarHBondContact O-OG 2.83Å
580L82.3Confident87.9Confident0 Ų022.6 Ų22.60%012%0.12CC..THydrogen-bonded Turntrans-61.4-34.2173.1-178.567.8000111.8G392 I432 L435 P443 Q446 T448 E582 S583G392-L580 WeakPolarHBondContact CA-O 3.27Å; I432-L580 HydrophobicContact CG2-CD2 4.4Å; L435-L580 HydrophobicContact CB-CD1 3.55Å; L435-L580 HydrophobicContact CD1-CD1 4.18Å; P443-L580 HydrophobicContact CB-CD2 4.32Å; P443-L580 WeakPolarHBondContact O-CB 3.26Å; Q446-L580 HydrophobicContact CB-CB 4.04Å; Q446-L580 PolarHBondContact O-N 3.37Å; T448-L580 HydrophobicContact CG2-CB 4.43Å; L580-E582 VanDerWaalsContact C-N 3.29Å; L580-E582 PolarHBondContact O-N 3.41Å; L580-S583 PolarHBondContact O-N 3.04Å
581S80.2Confident87.9Confident27 Ų2723.6 Ų23.619%0.18913%0.126CC..THydrogen-bonded Turntrans-60.4-36.5177.536.60000113.8P443 T579P443-S581 PolarHBondContact O-N 2.61Å; T579-S581 PolarHBondContact O-N 2.98Å; T579-S581 PolarHBondContact OG1-OG 3.3Å
582E82.8Confident87.7Confident108 Ų10822.2 Ų22.251%0.50512%0.121SC..THydrogen-bonded Turntrans-91-10.3-178.9-66.1167.9156.500112.7Q577 T579 L580Q577-E582 HydrophobicContact CB-CB 3.82Å; Q577-E582 HydrophobicContact CG-CB 4.36Å; T579-E582 PolarHBondContact O-N 3.26Å; T579-E582 VanDerWaalsContact OG1-CD 3.31Å; T579-E582 WeakPolarHBondContact OG1-CG 3.45Å; T579-E582 PolarHBondContact OG1-N 3.45Å; T579-E582 PolarHBondContact OG1-OE2 2.85Å; L580-E582 VanDerWaalsContact C-N 3.29Å; L580-E582 PolarHBondContact O-N 3.41Å
583S88.1Confident87.6Confident0 Ų022.2 Ų22.20%012%0.121CC..  trans-77.4143.3175.8-60.20000110.6S391 G392 T448 Q575 K576 Q577 T579 L580S391-S583 CarbonylContact C-O 3.51Å; S391-S583 WeakPolarHBondContact CA-O 3.36Å; G392-S583 PolarHBondContact N-O 3.2Å; T448-S583 PolarHBondContact OG1-OG 3.39Å; Q575-S583 CarbonylContact O-C 3.59Å; Q575-S583 WeakPolarHBondContact O-CA 3.45Å; Q575-S583 WeakPolarHBondContact O-CB 3.49Å; K576-S583 WeakPolarHBondContact CA-OG 3.46Å; Q577-S583 PolarHBondContact N-OG 3.35Å; T579-S583 PolarHBondContact O-N 3.37Å; T579-S583 VanDerWaalsContact O-N 3.15Å; T579-S583 PolarHBondContact O-OG 2.83Å; L580-S583 PolarHBondContact O-N 3.04Å
584S91.9Very high87.3Confident5 Ų525.5 Ų25.54%0.03514%0.14CC..EExtended strand (participates in β ladder)trans-137151.8-179.372.40000113.6E389 L390 Q575E389-S584 VanDerWaalsContact OE1-CB 3.24Å; E389-S584 WeakPolarHBondContact OE1-CB 2.97Å; E389-S584 PolarHBondContact OE1-OG 2.75Å; L390-S584 CarbonylContact O-C 3.54Å; L390-S584 WeakPolarHBondContact O-CA 3.44Å; L390-S584 WeakPolarHBondContact O-CB 3.47Å; Q575-S584 PolarHBondContact N-O 3.43Å; Q575-S584 PolarHBondContact O-N 3.19Å
585V92.6Very high87.2Confident0 Ų027.4 Ų27.40%015%0.149CC..EExtended strand (participates in β ladder)trans-111.3124.2168-176.80000107.5E389 L390 L435 F460 F559 V572 V573 L574E389-V585 WeakPolarHBondContact CA-O 3.39Å; L390-V585 PolarHBondContact N-O 3.06Å; L390-V585 PolarHBondContact O-N 3.32Å; L435-V585 HydrophobicContact CD1-CG2 3.99Å; L435-V585 HydrophobicContact CD2-CG2 3.5Å; L435-V585 VanDerWaalsContact CD2-CG2 3.5Å; L435-V585 HydrophobicContact CG-CG2 3.72Å; F460-V585 HydrophobicContact CE2-CG1 4.39Å; F460-V585 HydrophobicContact CZ-CG1 4.03Å; F559-V585 HydrophobicContact CE1-CG1 4.18Å; F559-V585 HydrophobicContact CE2-CG1 3.82Å; F559-V585 HydrophobicContact CZ-CB 4.32Å; F559-V585 HydrophobicContact CZ-CG1 3.35Å; V572-V585 HydrophobicContact CG1-CG1 3.65Å; V573-V585 WeakPolarHBondContact O-CA 3.4Å; L574-V585 HydrophobicContact CD2-CB 4.09Å; L574-V585 HydrophobicContact CD2-CG1 3.76Å; L574-V585 HydrophobicContact CD2-CG2 3.54Å
586K92.8Very high87.3Confident37 Ų3725.1 Ų25.116%0.16114%0.139CC..EExtended strand (participates in β ladder)trans-125.4128.7-178.7178.2178170.8-170.20110.9A388 E389 V572 V573 E798A388-K586 CarbonylContact O-C 3.58Å; A388-K586 WeakPolarHBondContact O-CA 3.33Å; E389-K586 HydrophobicContact CB-CB 4.17Å; E389-K586 HydrophobicContact CB-CG 4.15Å; E389-K586 HydrophobicContact CG-CB 4.12Å; V572-K586 CarbonylContact C-O 3.58Å; V572-K586 WeakPolarHBondContact CA-O 3.41Å; V573-K586 HydrophobicContact CB-CB 4.38Å; V573-K586 PolarHBondContact N-O 2.92Å; V573-K586 PolarHBondContact O-N 3.4Å; K586-E798 VanDerWaalsContact NZ-CD 3.25Å; K586-E798 IonicContact NZ-OE1 3.84Å; K586-E798 PolarHBondContact NZ-OE1 3.09Å; K586-E798 IonicContact NZ-OE2 2.92Å; K586-E798 PolarHBondContact NZ-OE2 3.46Å
587F93.3Very high87.4Confident0 Ų024.5 Ų24.50%014%0.141CC..EExtended strand (participates in β ladder)trans-87.3124165.5177.4-97.7000108.6H386 S387 A388 I457 F559 A562 L563 N565 R571 V572 L589H386-F587 WeakPolarHBondContact O-CD1 3.12Å; S387-F587 WeakPolarHBondContact CA-O 3.26Å; S387-F587 WeakPolarHBondContact CB-O 3.46Å; S387-F587 PolarHBondContact OG-O 3.23Å; A388-F587 PolarHBondContact N-O 2.66Å; A388-F587 PolarHBondContact O-N 3.41Å; I457-F587 HydrophobicContact CD1-CE2 3.73Å; I457-F587 HydrophobicContact CD1-CZ 4.42Å; I457-F587 HydrophobicContact CG1-CE2 4.08Å; F559-F587 HydrophobicContact CD2-CB 4.25Å; F559-F587 HydrophobicContact CE2-CB 3.87Å; A562-F587 HydrophobicContact CB-CB 3.85Å; A562-F587 HydrophobicContact CB-CD1 3.36Å; A562-F587 HydrophobicContact CB-CD2 4.49Å; A562-F587 HydrophobicContact CB-CE1 4.01Å; A562-F587 HydrophobicContact CB-CG 3.64Å; A562-F587 WeakPolarHBondContact O-CE1 3.41Å; A562-F587 WeakPolarHBondContact O-CE2 3.45Å; A562-F587 VanDerWaalsContact O-CZ 3.27Å; A562-F587 WeakPolarHBondContact O-CZ 3.33Å; L563-F587 HydrophobicContact CD2-CD2 4.35Å; N565-F587 HydrophobicContact CB-CZ 3.85Å; R571-F587 WeakPolarHBondContact O-CA 3.48Å; V572-F587 HydrophobicContact CG2-CD2 4.31Å; F587-L589 HydrophobicContact CE1-CB 4.25Å; F587-L589 HydrophobicContact CE1-CD1 4.4Å
588L90.9Very high87.6Confident21 Ų2123.5 Ų23.511%0.1114%0.136CC..EExtended strand (participates in β ladder)trans-109.5117.6178.217967.8000109.2G570 R571 V573 L590 E798G570-L588 CarbonylContact C-O 3.43Å; G570-L588 VanDerWaalsContact CA-O 3.25Å; G570-L588 WeakPolarHBondContact CA-O 3.23Å; R571-L588 PolarHBondContact N-O 2.95Å; R571-L588 PolarHBondContact O-N 3.14Å; V573-L588 HydrophobicContact CG2-CB 4.43Å; L588-L590 HydrophobicContact CD2-CD2 3.83Å; L588-L590 HydrophobicContact CG-CD2 4.13Å; L588-E798 HydrophobicContact CD2-CB 4.03Å; L588-E798 HydrophobicContact CD2-CG 4.3Å
589L89.7Confident88.2Confident4 Ų421.6 Ų21.62%0.02112%0.116CC..EExtended strand (participates in β ladder)trans-79.5118.3170.7-173.973.1000110.3S383 H386 S387 D569 F587S383-L589 PolarHBondContact OG-O 3.29Å; H386-L589 HydrophobicContact CB-CB 4.48Å; H386-L589 HydrophobicContact CB-CD2 3.67Å; S387-L589 PolarHBondContact OG-N 3.02Å; D569-L589 HydrophobicContact CB-CD1 4.45Å; F587-L589 HydrophobicContact CE1-CB 4.25Å; F587-L589 HydrophobicContact CE1-CD1 4.4Å
590L86.8Confident88.6Confident2 Ų220.5 Ų20.51%0.0111%0.109CC..SBendtrans-88.9-32.7178.3-61.1178.1000112.4D569 R571 L588 P592 E801 K802 Y805D569-L590 WeakPolarHBondContact O-CA 3.43Å; D569-L590 WeakPolarHBondContact O-CB 3.11Å; D569-L590 PolarHBondContact O-N 2.74Å; R571-L590 HydrophobicContact CG-CD1 3.58Å; R571-L590 HydrophobicContact CG-CG 4.3Å; L588-L590 HydrophobicContact CD2-CD2 3.83Å; L588-L590 HydrophobicContact CG-CD2 4.13Å; L590-P592 VanDerWaalsContact O-CD 3.26Å; L590-P592 WeakPolarHBondContact O-CD 3.36Å; L590-E801 HydrophobicContact CD1-CG 4.17Å; L590-K802 HydrophobicContact CD2-CB 4.26Å; L590-Y805 HydrophobicContact CB-CD1 4.12Å; L590-Y805 HydrophobicContact CB-CD2 4.3Å; L590-Y805 HydrophobicContact CB-CE1 4.42Å; L590-Y805 HydrophobicContact CB-CG 4.07Å; L590-Y805 HydrophobicContact CD1-CD2 3.94Å; L590-Y805 HydrophobicContact CD1-CG 3.99Å
591N88.4Confident89Confident21 Ų2129.1 Ų29.111%0.11215%0.147CC..  trans-112.790.2-177.5-172.71.6000112.2D569 A593 V594 Y805D569-N591 HydrophobicContact CB-CB 3.97Å; D569-N591 PolarHBondContact O-N 2.96Å; D569-N591 PolarHBondContact OD1-ND2 2.86Å; N591-A593 PolarHBondContact O-N 3.04Å; N591-A593 VanDerWaalsContact OD1-CB 3.3Å; N591-A593 WeakPolarHBondContact OD1-CB 3.46Å; N591-A593 PolarHBondContact OD1-N 3.25Å; N591-V594 HydrophobicContact CB-CG2 4.39Å; N591-V594 WeakPolarHBondContact ND2-CG2 3.16Å; N591-Y805 HydrophobicContact CB-CE1 4.22Å; N591-Y805 WeakPolarHBondContact CB-OH 3.47Å; N591-Y805 PolarHBondContact ND2-OH 2.91Å
592P87.1Confident89.5Confident0 Ų030.9 Ų30.90%015%0.152CC..THydrogen-bonded Turntrans-71.4-16.317828-33.1000113.7S379 L382 L590 V594 H595 F596 L623S379-P592 WeakPolarHBondContact OG-CG 3.47Å; L382-P592 HydrophobicContact CB-CB 3.67Å; L382-P592 HydrophobicContact CD1-CB 4.24Å; L590-P592 VanDerWaalsContact O-CD 3.26Å; L590-P592 WeakPolarHBondContact O-CD 3.36Å; P592-V594 VanDerWaalsContact C-N 3.26Å; P592-V594 PolarHBondContact O-N 3.33Å; P592-H595 PolarHBondContact O-N 2.82Å; P592-F596 PolarHBondContact O-N 3.21Å; P592-L623 HydrophobicContact CB-CD1 4.42Å; P592-L623 HydrophobicContact CG-CD1 4.43Å
593A88.9Confident90Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-64.7-29.4-175.500000113.1N591 H595 F596 A597 E622 A627N591-A593 PolarHBondContact O-N 3.04Å; N591-A593 VanDerWaalsContact OD1-CB 3.3Å; N591-A593 WeakPolarHBondContact OD1-CB 3.46Å; N591-A593 PolarHBondContact OD1-N 3.25Å; A593-H595 VanDerWaalsContact C-N 3.34Å; A593-H595 PolarHBondContact O-N 3.25Å; A593-F596 PolarHBondContact O-N 2.9Å; A593-A597 WeakPolarHBondContact O-CB 3.45Å; A593-A597 PolarHBondContact O-N 3.41Å; A593-E622 WeakPolarHBondContact CB-O 3.3Å; A593-A627 HydrophobicContact CB-CB 4.16Å
594V87.2Confident90.1Very high68 Ų6829.4 Ų29.441%0.41214%0.142SC..Hα-helixtrans-58.7-45.1-179-177.70000111.5N591 P592N591-V594 HydrophobicContact CB-CG2 4.39Å; N591-V594 WeakPolarHBondContact ND2-CG2 3.16Å; P592-V594 VanDerWaalsContact C-N 3.26Å; P592-V594 PolarHBondContact O-N 3.33Å
595H86.8Confident90.2Very high41 Ų4129.1 Ų29.119%0.1914%0.141CC..Hα-helixtrans-75.9-30179.4-61.7-64.7000112.4H386 N565 P592 A593H386-H595 AromaticContact CD2-CD2 3.32Å; H386-H595 PolarHBondContact CD2-CD2 3.14Å; H386-H595 AromaticContact CD2-CG 3.62Å; H386-H595 AromaticContact CD2-NE2 3.9Å; H386-H595 AromaticContact CE1-CD2 3.89Å; H386-H595 AromaticContact CE1-CE1 3.89Å; H386-H595 AromaticContact CE1-CG 3.64Å; H386-H595 AromaticContact CE1-ND1 3.63Å; H386-H595 AromaticContact CG-CD2 3.45Å; H386-H595 VanDerWaalsContact CG-CD2 3.45Å; H386-H595 AromaticContact CG-CG 3.98Å; H386-H595 AromaticContact CG-NE2 3.51Å; H386-H595 AromaticContact ND1-CD2 3.8Å; H386-H595 AromaticContact ND1-CE1 3.71Å; H386-H595 AromaticContact ND1-CG 3.99Å; H386-H595 AromaticContact ND1-ND1 3.93Å; H386-H595 AromaticContact ND1-NE2 3.62Å; H386-H595 AromaticContact NE2-CD2 3.65Å; H386-H595 AromaticContact NE2-CG 3.41Å; H386-H595 AromaticContact NE2-ND1 3.9Å; N565-H595 PolarHBondContact OD1-CE1 2.99Å; N565-H595 PolarHBondContact OD1-NE2 3.48Å; P592-H595 PolarHBondContact O-N 2.82Å; A593-H595 VanDerWaalsContact C-N 3.34Å; A593-H595 PolarHBondContact O-N 3.25Å
596F90.8Very high90.4Very high0 Ų029.1 Ų29.10%014%0.141CC..Hα-helixtrans-79.1-24.5178.5-163.5-125.5000113.2L353 I372 L378 L382 P592 A593 Q598 V599 L600 V606 I608 L623 L624L353-F596 HydrophobicContact CD2-CD2 3.71Å; L353-F596 HydrophobicContact CD2-CE2 3.85Å; I372-F596 HydrophobicContact CD1-CE2 4.07Å; I372-F596 HydrophobicContact CD1-CZ 4.16Å; L378-F596 HydrophobicContact CD2-CE1 4.44Å; L378-F596 HydrophobicContact CD2-CE2 4.34Å; L378-F596 HydrophobicContact CD2-CZ 4.04Å; L382-F596 HydrophobicContact CD1-CB 3.93Å; L382-F596 HydrophobicContact CD1-CD2 4.34Å; L382-F596 HydrophobicContact CD1-CG 4.21Å; P592-F596 PolarHBondContact O-N 3.21Å; A593-F596 PolarHBondContact O-N 2.9Å; F596-Q598 VanDerWaalsContact C-N 3.27Å; F596-Q598 PolarHBondContact O-N 3.07Å; F596-V599 HydrophobicContact CD2-CB 4.15Å; F596-V599 HydrophobicContact CD2-CG1 4.48Å; F596-V599 HydrophobicContact CD2-CG2 4.47Å; F596-V599 HydrophobicContact CE2-CB 4.29Å; F596-V599 HydrophobicContact CE2-CG1 4.13Å; F596-V599 WeakPolarHBondContact O-CB 3.27Å; F596-V599 PolarHBondContact O-N 3.41Å; F596-V599 VanDerWaalsContact O-N 3.07Å; F596-L600 HydrophobicContact CD1-CD1 3.38Å; F596-L600 HydrophobicContact CD1-CD2 4.24Å; F596-L600 HydrophobicContact CD1-CG 3.74Å; F596-L600 HydrophobicContact CE1-CD1 3.63Å; F596-L600 HydrophobicContact CE1-CD2 3.64Å; F596-L600 HydrophobicContact CE1-CG 3.67Å; F596-L600 HydrophobicContact CG-CD1 4.24Å; F596-L600 HydrophobicContact CG-CG 4.37Å; F596-L600 HydrophobicContact CZ-CD2 4.01Å; F596-L600 HydrophobicContact CZ-CG 4.21Å; F596-L600 WeakPolarHBondContact O-CG 3.45Å; F596-L600 PolarHBondContact O-N 3.16Å; F596-V606 HydrophobicContact CZ-CG1 4.31Å; F596-I608 HydrophobicContact CE1-CD1 4.33Å; F596-I608 HydrophobicContact CZ-CD1 4.39Å; F596-L623 HydrophobicContact CB-CD1 4Å; F596-L623 HydrophobicContact CD1-CD1 3.96Å; F596-L623 HydrophobicContact CD1-CD2 3.68Å; F596-L623 HydrophobicContact CD1-CG 3.6Å; F596-L623 HydrophobicContact CE1-CD2 3.76Å; F596-L623 HydrophobicContact CE1-CG 4.12Å; F596-L623 HydrophobicContact CG-CD1 4.22Å; F596-L623 HydrophobicContact CG-CD2 4.41Å; F596-L623 HydrophobicContact CG-CG 4.34Å; F596-L624 HydrophobicContact CE1-CD2 4.13Å
597A90.4Very high90.5Very high27 Ų2727.4 Ų27.422%0.22313%0.133CC..Hα-helixtrans-56.9-38.8178.600000112.7A593 V599 L600 K601 A627A593-A597 WeakPolarHBondContact O-CB 3.45Å; A593-A597 PolarHBondContact O-N 3.41Å; A597-V599 PolarHBondContact O-N 2.95Å; A597-L600 PolarHBondContact O-N 2.81Å; A597-K601 WeakPolarHBondContact O-CB 3.5Å; A597-K601 PolarHBondContact O-N 2.92Å; A597-A627 HydrophobicContact CB-CB 3.84Å
598Q88.1Confident90.5Very high64 Ų6427.4 Ų27.430%0.29913%0.133SC..Hα-helixtrans-60.7-46.1176-174.1-1747.300111.3E355 F596 L600 K601 E602E355-Q598 PolarHBondContact OE1-NE2 2.91Å; F596-Q598 VanDerWaalsContact C-N 3.27Å; F596-Q598 PolarHBondContact O-N 3.07Å; Q598-L600 PolarHBondContact O-N 3.23Å; Q598-K601 PolarHBondContact O-N 2.89Å; Q598-E602 HydrophobicContact CG-CG 4.41Å; Q598-E602 VanDerWaalsContact CG-OE1 3.24Å; Q598-E602 WeakPolarHBondContact CG-OE1 3.4Å; Q598-E602 PolarHBondContact NE2-OE1 2.66Å; Q598-E602 WeakPolarHBondContact O-CB 3.34Å; Q598-E602 WeakPolarHBondContact O-CG 3.44Å; Q598-E602 PolarHBondContact O-N 3.1Å
599V90.5Very high90.6Very high1 Ų126.4 Ų26.41%0.00613%0.128CC..Hα-helixtrans-61.6-46.2178.9177.60000110.4V352 L365 F596 A597 K601 E602 C603V352-V599 HydrophobicContact CG1-CG1 4.37Å; L365-V599 HydrophobicContact CD1-CB 4.28Å; L365-V599 HydrophobicContact CD1-CG1 4.07Å; L365-V599 HydrophobicContact CD1-CG2 3.99Å; F596-V599 HydrophobicContact CD2-CB 4.15Å; F596-V599 HydrophobicContact CD2-CG1 4.48Å; F596-V599 HydrophobicContact CD2-CG2 4.47Å; F596-V599 HydrophobicContact CE2-CB 4.29Å; F596-V599 HydrophobicContact CE2-CG1 4.13Å; F596-V599 WeakPolarHBondContact O-CB 3.27Å; F596-V599 PolarHBondContact O-N 3.41Å; F596-V599 VanDerWaalsContact O-N 3.07Å; A597-V599 PolarHBondContact O-N 2.95Å; V599-K601 VanDerWaalsContact C-N 3.29Å; V599-K601 PolarHBondContact O-N 3.03Å; V599-E602 PolarHBondContact O-N 3.3Å; V599-C603 WeakPolarHBondContact O-CB 3.38Å; V599-C603 PolarHBondContact O-N 3.46Å; V599-C603 VanDerWaalsContact O-N 3.08Å; V599-C603 PolarHBondContact O-SG 3.18Å
600L91.3Very high90.4Very high4 Ų426.2 Ų26.22%0.02113%0.127CC..Hα-helixtrans-65.2-30.3179.6-67.7168.3000113.4V34 F596 A597 Q598 V606 L624 A627 V629 R633V34-L600 HydrophobicContact CG1-CD2 4.15Å; V34-L600 HydrophobicContact CG2-CD2 3.9Å; F596-L600 HydrophobicContact CD1-CD1 3.38Å; F596-L600 HydrophobicContact CD1-CD2 4.24Å; F596-L600 HydrophobicContact CD1-CG 3.74Å; F596-L600 HydrophobicContact CE1-CD1 3.63Å; F596-L600 HydrophobicContact CE1-CD2 3.64Å; F596-L600 HydrophobicContact CE1-CG 3.67Å; F596-L600 HydrophobicContact CG-CD1 4.24Å; F596-L600 HydrophobicContact CG-CG 4.37Å; F596-L600 HydrophobicContact CZ-CD2 4.01Å; F596-L600 HydrophobicContact CZ-CG 4.21Å; F596-L600 WeakPolarHBondContact O-CG 3.45Å; F596-L600 PolarHBondContact O-N 3.16Å; A597-L600 PolarHBondContact O-N 2.81Å; Q598-L600 PolarHBondContact O-N 3.23Å; L600-V606 HydrophobicContact CD2-CB 4.13Å; L600-V606 HydrophobicContact CD2-CG1 4.29Å; L600-V606 HydrophobicContact CD2-CG2 4.08Å; L600-L624 HydrophobicContact CD1-CD2 3.98Å; L600-L624 HydrophobicContact CD2-CD2 4.28Å; L600-A627 HydrophobicContact CD1-CB 3.73Å; L600-V629 HydrophobicContact CB-CG2 4.29Å; L600-V629 HydrophobicContact CD1-CG2 3.71Å; L600-V629 HydrophobicContact CG-CG2 4.44Å; L600-R633 PolarHBondContact O-NH1 3.35Å
601K90.6Very high90.1Very high181 Ų18126.4 Ų26.479%0.78713%0.129SC*.Hα-helixtrans-80-40.2178.3-173.2178.1179.3-179.40112.6A597 Q598 V599A597-K601 WeakPolarHBondContact O-CB 3.5Å; A597-K601 PolarHBondContact O-N 2.92Å; Q598-K601 PolarHBondContact O-N 2.89Å; V599-K601 VanDerWaalsContact C-N 3.29Å; V599-K601 PolarHBondContact O-N 3.03Å
602E90.5Very high89.5Confident65 Ų6526 Ų2630%0.30413%0.128SC..Hα-helixtrans-75.4-37.6-178.1-71.4178.6-168.100112.5L365 K366 G367 Q598 V599L365-E602 HydrophobicContact CB-CB 3.93Å; K366-E602 CarbonylContact C-O 3.52Å; K366-E602 VanDerWaalsContact CA-O 3.27Å; K366-E602 WeakPolarHBondContact CA-O 3.23Å; G367-E602 PolarHBondContact N-O 3.01Å; Q598-E602 HydrophobicContact CG-CG 4.41Å; Q598-E602 VanDerWaalsContact CG-OE1 3.24Å; Q598-E602 WeakPolarHBondContact CG-OE1 3.4Å; Q598-E602 PolarHBondContact NE2-OE1 2.66Å; Q598-E602 WeakPolarHBondContact O-CB 3.34Å; Q598-E602 WeakPolarHBondContact O-CG 3.44Å; Q598-E602 PolarHBondContact O-N 3.1Å; V599-E602 PolarHBondContact O-N 3.3Å
603C92.5Very high88.9Confident4 Ų426.3 Ų26.33%0.02713%0.129CC..  trans-73.7146.3-177-60.90000112.4V370 V599 V606 R633V370-C603 WeakPolarHBondContact CG2-SG 3.25Å; V599-C603 WeakPolarHBondContact O-CB 3.38Å; V599-C603 PolarHBondContact O-N 3.46Å; V599-C603 VanDerWaalsContact O-N 3.08Å; V599-C603 PolarHBondContact O-SG 3.18Å; C603-V606 HydrophobicContact CB-CG2 3.58Å; C603-R633 PolarHBondContact O-NH2 3.33Å
604R91.8Very high88.2Confident72 Ų7228.3 Ų28.327%0.27214%0.139SC..SBendtrans-63.9-57.2168.2177.2-171.3176.994.84.2110L29 D30 G32 Y60 Q368 R633L29-R604 PolarHBondContact O-NE 3.42Å; D30-R604 PolarHBondContact O-NH2 2.89Å; G32-R604 CarbonylContact C-O 3.59Å; G32-R604 VanDerWaalsContact CA-O 3.28Å; G32-R604 WeakPolarHBondContact CA-O 3.25Å; Y60-R604 PolarHBondContact OH-NH1 3.44Å; Q368-R604 PolarHBondContact O-N 3.4Å; R604-R633 PolarHBondContact O-NH2 3.38Å
605A94.3Very high87.5Confident0 Ų025.9 Ų25.90%012%0.124CC..EExtended strand (participates in β ladder)trans-135.8144.8-18000000110L29 K33 V369 V370L29-A605 HydrophobicContact CD2-CB 3.92Å; K33-A605 WeakPolarHBondContact O-CA 3.28Å; K33-A605 WeakPolarHBondContact O-CB 3.38Å; V369-A605 HydrophobicContact CG2-CB 4.27Å; V370-A605 PolarHBondContact N-O 2.93Å
606V95.3Very high87.1Confident0 Ų024.8 Ų24.80%012%0.12CC..EExtended strand (participates in β ladder)trans-128.2116.8176-177.90000108.6K33 V34 G35 V370 F596 L600 C603 I608K33-V606 PolarHBondContact O-N 2.92Å; V34-V606 CarbonylContact C-O 3.57Å; V34-V606 VanDerWaalsContact CA-O 3.26Å; V34-V606 WeakPolarHBondContact CA-O 3.45Å; G35-V606 PolarHBondContact N-O 2.86Å; V370-V606 CarbonylContact O-C 3.55Å; V370-V606 WeakPolarHBondContact O-CA 3.4Å; F596-V606 HydrophobicContact CZ-CG1 4.31Å; L600-V606 HydrophobicContact CD2-CB 4.13Å; L600-V606 HydrophobicContact CD2-CG1 4.29Å; L600-V606 HydrophobicContact CD2-CG2 4.08Å; C603-V606 HydrophobicContact CB-CG2 3.58Å; V606-I608 HydrophobicContact CG1-CG1 4.16Å
607I95.4Very high86.6Confident0 Ų027.6 Ų27.60%014%0.14CC..EExtended strand (participates in β ladder)trans-103.6122179.3-54.2-58.8000108.4L25 A28 L29 G35 F37 L49 V370 I371 I372L25-I607 HydrophobicContact CD1-CB 4.34Å; L25-I607 HydrophobicContact CD1-CD1 3.88Å; L25-I607 HydrophobicContact CD1-CG1 3.74Å; L25-I607 HydrophobicContact CD1-CG2 3.76Å; A28-I607 HydrophobicContact CB-CD1 4.08Å; L29-I607 HydrophobicContact CD2-CD1 3.93Å; L29-I607 HydrophobicContact CD2-CG1 3.67Å; L29-I607 HydrophobicContact CG-CD1 4.45Å; L29-I607 HydrophobicContact CG-CG1 4.47Å; G35-I607 CarbonylContact O-C 3.54Å; G35-I607 WeakPolarHBondContact O-CA 3.33Å; F37-I607 HydrophobicContact CD2-CG2 3.72Å; F37-I607 HydrophobicContact CE2-CD1 4.04Å; F37-I607 HydrophobicContact CE2-CG2 4.13Å; F37-I607 HydrophobicContact CG-CG2 4.4Å; L49-I607 HydrophobicContact CD2-CG2 4.25Å; V370-I607 PolarHBondContact O-N 3.29Å; I371-I607 CarbonylContact C-O 3.56Å; I371-I607 WeakPolarHBondContact CA-O 3.26Å; I371-I607 HydrophobicContact CB-CB 4.45Å; I371-I607 HydrophobicContact CG1-CB 4.12Å; I371-I607 HydrophobicContact CG1-CG1 4.31Å; I371-I607 HydrophobicContact CG2-CB 4.3Å; I371-I607 HydrophobicContact CG2-CG2 4.37Å; I372-I607 PolarHBondContact N-O 3.38Å
608I94.1Very high85.9Confident0 Ų027.3 Ų27.30%014%0.135CC..EExtended strand (participates in β ladder)trans-111.9100.7-178.6-57.9177.1000106.5V34 G35 I36 F37 A375 F596 V606 M613 F619 L624V34-I608 HydrophobicContact CG1-CD1 4.27Å; G35-I608 PolarHBondContact O-N 2.9Å; I36-I608 WeakPolarHBondContact CA-O 3.35Å; F37-I608 PolarHBondContact N-O 2.83Å; A375-I608 HydrophobicContact CB-CG2 3.36Å; F596-I608 HydrophobicContact CE1-CD1 4.33Å; F596-I608 HydrophobicContact CZ-CD1 4.39Å; V606-I608 HydrophobicContact CG1-CG1 4.16Å; I608-M613 HydrophobicContact CG2-CE 3.94Å; I608-F619 HydrophobicContact CD1-CE1 3.73Å; I608-F619 HydrophobicContact CD1-CZ 3.88Å; I608-F619 HydrophobicContact CG2-CE1 3.93Å; I608-F619 HydrophobicContact CG2-CZ 3.74Å; I608-L624 HydrophobicContact CD1-CD2 4.2Å
609A91.4Very high85.7Confident0 Ų024.7 Ų24.70%012%0.122CC..EExtended strand (participates in β ladder)trans-108.8141.8-175.800000111.6F37 L49 I372 D373 E374 A375F37-A609 HydrophobicContact CB-CB 4.24Å; F37-A609 CarbonylContact O-C 3.57Å; F37-A609 VanDerWaalsContact O-CA 3.29Å; F37-A609 WeakPolarHBondContact O-CA 3.27Å; L49-A609 HydrophobicContact CD1-CB 3.92Å; L49-A609 HydrophobicContact CD2-CB 4.22Å; I372-A609 PolarHBondContact O-N 3.19Å; D373-A609 CarbonylContact C-O 3.49Å; E374-A609 PolarHBondContact N-O 2.91Å; A375-A609 PolarHBondContact N-O 3.44Å; A375-A609 VanDerWaalsContact N-O 3.07Å
610G87.3Confident85.5Confident0 Ų026.2 Ų26.20%013%0.129CC..EExtended strand (participates in β ladder)trans-163.2153.9176.800000113.4F37 E38 S39F37-G610 PolarHBondContact O-N 3.4Å; E38-G610 WeakPolarHBondContact CA-O 3.22Å; S39-G610 PolarHBondContact N-O 2.98Å; S39-G610 VanDerWaalsContact N-O 3.14Å
611G79.4Confident85.1Confident6 Ų628.2 Ų28.26%0.06214%0.138CC..SBendtrans-78.9-20.7178.400000114.9S39S39-G611 VanDerWaalsContact O-CA 3.26Å; S39-G611 WeakPolarHBondContact O-CA 3.34Å
612T76Confident84.7Confident13 Ų1320.4 Ų20.48%0.0810%0.104CC..  trans-143.452.3-171.558.70000110.3Q614 N832 Q833T612-Q614 VanDerWaalsContact C-N 3.3Å; T612-N832 HydrophobicContact CG2-CB 4.46Å; T612-Q833 HydrophobicContact CG2-CG 4.47Å; T612-Q833 WeakPolarHBondContact OG1-CG 3.38Å
613M74.8Confident84.5Confident6 Ų617.3 Ų17.33%0.039%0.09CC..  trans-77.8-15.1-178.3-69.1-63-66.600112.8I36 A375 H376 I608 P615 V616 F619I36-M613 HydrophobicContact CG2-CE 4.42Å; A375-M613 HydrophobicContact CB-SD 4.38Å; H376-M613 HydrophobicContact CB-SD 4.13Å; I608-M613 HydrophobicContact CG2-CE 3.94Å; M613-P615 CarbonylContact O-C 3.58Å; M613-P615 VanDerWaalsContact O-C 3.25Å; M613-V616 HydrophobicContact CB-CG2 4Å; M613-V616 WeakPolarHBondContact O-CG2 3.3Å; M613-F619 HydrophobicContact CE-CD1 4.29Å; M613-F619 HydrophobicContact CE-CD2 4.29Å; M613-F619 HydrophobicContact CE-CE1 4.29Å; M613-F619 HydrophobicContact CE-CE2 4.28Å; M613-F619 HydrophobicContact CE-CG 4.28Å; M613-F619 HydrophobicContact CE-CZ 4.27Å
614Q72.9Confident84.3Confident43 Ų4317.1 Ų17.120%0.2019%0.089CC..  trans-69.1135.9178-91-174.30.700113.6E38 T612 N832 L864E38-Q614 WeakPolarHBondContact OE1-CG 3.48Å; T612-Q614 VanDerWaalsContact C-N 3.3Å; Q614-N832 PolarHBondContact O-ND2 3.32Å; Q614-L864 PolarHBondContact OE1-O 3.27Å; Q614-L864 VanDerWaalsContact OE1-O 3.12Å
615P72.6Confident84.1Confident17 Ų1717.3 Ų17.311%0.119%0.092CC..SBendcis-81.5135.4-5.128.9-29.9000113.5M613 N825M613-P615 CarbonylContact O-C 3.58Å; M613-P615 VanDerWaalsContact O-C 3.25Å; P615-N825 HydrophobicContact CG-CB 3.91Å; P615-N825 VanDerWaalsContact CG-OD1 3.25Å; P615-N825 WeakPolarHBondContact CG-OD1 3.3Å
616V78.9Confident83.5Confident18 Ų1820.1 Ų20.111%0.10911%0.111CC..Hα-helixtrans-83.7-19.7-175.6179.60000113I36 M613 D618 F619 K620I36-V616 HydrophobicContact CB-CG1 4.47Å; I36-V616 HydrophobicContact CD1-CG1 3.61Å; I36-V616 HydrophobicContact CG2-CG1 3.83Å; I36-V616 HydrophobicContact CG2-CG2 4.45Å; M613-V616 HydrophobicContact CB-CG2 4Å; M613-V616 WeakPolarHBondContact O-CG2 3.3Å; V616-D618 PolarHBondContact O-N 2.94Å; V616-F619 WeakPolarHBondContact O-CB 3.46Å; V616-F619 PolarHBondContact O-N 3.47Å; V616-F619 VanDerWaalsContact O-N 3.14Å; V616-K620 HydrophobicContact CG1-CD 4.44Å; V616-K620 HydrophobicContact CG1-CG 4.08Å; V616-K620 PolarHBondContact O-N 3.4Å
617S79.3Confident83Confident59 Ų5921.1 Ų21.141%0.41312%0.119SC..Hα-helixtrans-53.1-49.5-176.651.60000113.1F619 K620 Q621S617-F619 VanDerWaalsContact C-N 3.32Å; S617-F619 PolarHBondContact O-N 3.47Å; S617-K620 PolarHBondContact O-N 2.84Å; S617-Q621 PolarHBondContact O-N 3.48Å; S617-Q621 VanDerWaalsContact O-N 3.08Å
618D77.3Confident82.5Confident21 Ų2124.2 Ų24.211%0.11215%0.151CC..Hα-helixtrans-68-38.5-177.9-69.630.8000110.8V616 K620 Q621 E622 N825V616-D618 PolarHBondContact O-N 2.94Å; D618-K620 VanDerWaalsContact C-N 3.3Å; D618-K620 PolarHBondContact O-N 3.32Å; D618-Q621 PolarHBondContact O-N 3.33Å; D618-E622 WeakPolarHBondContact O-CB 3.25Å; D618-E622 PolarHBondContact O-N 3.47Å; D618-N825 PolarHBondContact OD1-ND2 3.45Å; D618-N825 PolarHBondContact OD2-ND2 3.03Å
619F83.1Confident82.1Confident8 Ų824.9 Ų24.94%0.03516%0.156CC..Hα-helixtrans-61.7-41.1177.2-177.9-91.4000111.3I36 L378 I608 M613 V616 S617 L623I36-F619 HydrophobicContact CD1-CD1 4.24Å; L378-F619 HydrophobicContact CB-CE2 4.27Å; L378-F619 HydrophobicContact CD2-CE2 4.34Å; L378-F619 HydrophobicContact CD2-CZ 4.03Å; I608-F619 HydrophobicContact CD1-CE1 3.73Å; I608-F619 HydrophobicContact CD1-CZ 3.88Å; I608-F619 HydrophobicContact CG2-CE1 3.93Å; I608-F619 HydrophobicContact CG2-CZ 3.74Å; M613-F619 HydrophobicContact CE-CD1 4.29Å; M613-F619 HydrophobicContact CE-CD2 4.29Å; M613-F619 HydrophobicContact CE-CE1 4.29Å; M613-F619 HydrophobicContact CE-CE2 4.28Å; M613-F619 HydrophobicContact CE-CG 4.28Å; M613-F619 HydrophobicContact CE-CZ 4.27Å; V616-F619 WeakPolarHBondContact O-CB 3.46Å; V616-F619 PolarHBondContact O-N 3.47Å; V616-F619 VanDerWaalsContact O-N 3.14Å; S617-F619 VanDerWaalsContact C-N 3.32Å; S617-F619 PolarHBondContact O-N 3.47Å; F619-L623 HydrophobicContact CD2-CD2 4.5Å; F619-L623 HydrophobicContact CE1-CD2 4.25Å; F619-L623 HydrophobicContact CE2-CD2 3.63Å; F619-L623 HydrophobicContact CZ-CD2 3.48Å; F619-L623 VanDerWaalsContact CZ-CD2 3.48Å; F619-L623 WeakPolarHBondContact O-CB 3.31Å; F619-L623 PolarHBondContact O-N 3.47Å
620K86.7Confident81.9Confident34 Ų3432.2 Ų32.215%0.14819%0.187CC..Iπ-helixtrans-62.8-47.1174-68.4-169.6-63.6175.70111.9I36 V616 S617 D618 L624 F625 I634 E636I36-K620 HydrophobicContact CD1-CD 4.13Å; I36-K620 HydrophobicContact CD1-CG 3.63Å; V616-K620 HydrophobicContact CG1-CD 4.44Å; V616-K620 HydrophobicContact CG1-CG 4.08Å; V616-K620 PolarHBondContact O-N 3.4Å; S617-K620 PolarHBondContact O-N 2.84Å; D618-K620 VanDerWaalsContact C-N 3.3Å; D618-K620 PolarHBondContact O-N 3.32Å; K620-L624 HydrophobicContact CG-CD1 4.4Å; K620-L624 CarbonylContact O-C 3.48Å; K620-L624 WeakPolarHBondContact O-CA 3.28Å; K620-L624 WeakPolarHBondContact O-CB 3.47Å; K620-L624 PolarHBondContact O-N 2.91Å; K620-F625 HydrophobicContact CB-CD2 4.2Å; K620-F625 HydrophobicContact CB-CE2 3.88Å; K620-F625 HydrophobicContact CB-CZ 4.48Å; K620-F625 PolarHBondContact O-N 3.45Å; K620-I634 HydrophobicContact CD-CG2 4.31Å; K620-E636 WeakPolarHBondContact CD-OE1 3.34Å; K620-E636 WeakPolarHBondContact CE-OE1 3.35Å; K620-E636 IonicContact NZ-OE1 2.98Å; K620-E636 PolarHBondContact NZ-OE1 3.35Å; K620-E636 IonicContact NZ-OE2 3.19Å
621Q83.3Confident81.9Confident46 Ų4639 Ų3922%0.21522%0.219CC..Iπ-helixtrans-66.5-52.4-178.6-71.4-178.3-10.300112.4S617 D618 F625 S626 L810S617-Q621 PolarHBondContact O-N 3.48Å; S617-Q621 VanDerWaalsContact O-N 3.08Å; D618-Q621 PolarHBondContact O-N 3.33Å; Q621-F625 HydrophobicContact CG-CD2 4.06Å; Q621-S626 PolarHBondContact O-N 3.45Å; Q621-S626 PolarHBondContact O-OG 2.73Å; Q621-L810 HydrophobicContact CB-CD1 4.49Å; Q621-L810 HydrophobicContact CB-CD2 4.29Å
622E82.8Confident82.3Confident16 Ų1646.2 Ų46.28%0.07525%0.251CS..Iπ-helixtrans-66-41.6-176.5-171.3-178.1-178.100111.7S379 A593 D618 S626 K802S379-E622 PolarHBondContact OG-OE1 2.93Å; S379-E622 VanDerWaalsContact OG-OE1 3.06Å; A593-E622 WeakPolarHBondContact CB-O 3.3Å; D618-E622 WeakPolarHBondContact O-CB 3.25Å; D618-E622 PolarHBondContact O-N 3.47Å; E622-S626 VanDerWaalsContact O-CB 3.3Å; E622-S626 WeakPolarHBondContact O-CB 3.45Å; E622-S626 PolarHBondContact O-OG 3.36Å; E622-K802 WeakPolarHBondContact OE1-CE 3.41Å; E622-K802 IonicContact OE1-NZ 3.93Å; E622-K802 PolarHBondContact OE1-NZ 2.94Å
623L85.9Confident83Confident0 Ų049.1 Ų49.10%026%0.261CS..Iπ-helixtrans-109.2-38.8-168.8-164.769.9000114.7L378 L382 P592 F596 F619 A627L378-L623 HydrophobicContact CD2-CD2 3.73Å; L378-L623 HydrophobicContact CG-CD2 4.16Å; L382-L623 HydrophobicContact CD1-CD1 3.68Å; P592-L623 HydrophobicContact CB-CD1 4.42Å; P592-L623 HydrophobicContact CG-CD1 4.43Å; F596-L623 HydrophobicContact CB-CD1 4Å; F596-L623 HydrophobicContact CD1-CD1 3.96Å; F596-L623 HydrophobicContact CD1-CD2 3.68Å; F596-L623 HydrophobicContact CD1-CG 3.6Å; F596-L623 HydrophobicContact CE1-CD2 3.76Å; F596-L623 HydrophobicContact CE1-CG 4.12Å; F596-L623 HydrophobicContact CG-CD1 4.22Å; F596-L623 HydrophobicContact CG-CD2 4.41Å; F596-L623 HydrophobicContact CG-CG 4.34Å; F619-L623 HydrophobicContact CD2-CD2 4.5Å; F619-L623 HydrophobicContact CE1-CD2 4.25Å; F619-L623 HydrophobicContact CE2-CD2 3.63Å; F619-L623 HydrophobicContact CZ-CD2 3.48Å; F619-L623 VanDerWaalsContact CZ-CD2 3.48Å; F619-L623 WeakPolarHBondContact O-CB 3.31Å; F619-L623 PolarHBondContact O-N 3.47Å; L623-A627 WeakPolarHBondContact O-CB 3.4Å
624L87.6Confident83.8Confident0 Ų049.6 Ų49.60%026%0.263CS..Iπ-helixtrans-94-51.8-172.7-58.1-175000112.6V34 I36 F596 L600 I608 K620 A627 G628 V629 I634V34-L624 HydrophobicContact CG1-CD1 4.03Å; V34-L624 HydrophobicContact CG1-CD2 4.02Å; I36-L624 HydrophobicContact CD1-CD1 3.8Å; I36-L624 HydrophobicContact CG1-CD1 4.3Å; F596-L624 HydrophobicContact CE1-CD2 4.13Å; L600-L624 HydrophobicContact CD1-CD2 3.98Å; L600-L624 HydrophobicContact CD2-CD2 4.28Å; I608-L624 HydrophobicContact CD1-CD2 4.2Å; K620-L624 HydrophobicContact CG-CD1 4.4Å; K620-L624 CarbonylContact O-C 3.48Å; K620-L624 WeakPolarHBondContact O-CA 3.28Å; K620-L624 WeakPolarHBondContact O-CB 3.47Å; K620-L624 PolarHBondContact O-N 2.91Å; L624-A627 PolarHBondContact O-N 3.43Å; L624-G628 PolarHBondContact O-N 3.06Å; L624-V629 HydrophobicContact CB-CB 4.38Å; L624-V629 WeakPolarHBondContact O-CB 3.31Å; L624-V629 WeakPolarHBondContact O-CG2 3.47Å; L624-V629 PolarHBondContact O-N 2.93Å; L624-I634 HydrophobicContact CB-CD1 4Å; L624-I634 HydrophobicContact CD1-CD1 3.91Å; L624-I634 HydrophobicContact CD1-CG1 4.26Å; L624-I634 HydrophobicContact CD1-CG2 4.4Å
625F86.7Confident84.6Confident77 Ų7749.6 Ų49.634%0.33827%0.266SS..Iπ-helixtrans-68.2-42.2179-64.8-42.5000111.2K620 Q621 A627 G628 V629 E631 I634K620-F625 HydrophobicContact CB-CD2 4.2Å; K620-F625 HydrophobicContact CB-CE2 3.88Å; K620-F625 HydrophobicContact CB-CZ 4.48Å; K620-F625 PolarHBondContact O-N 3.45Å; Q621-F625 HydrophobicContact CG-CD2 4.06Å; F625-A627 PolarHBondContact O-N 3.44Å; F625-G628 PolarHBondContact O-N 2.91Å; F625-V629 WeakPolarHBondContact CD1-O 3.41Å; F625-E631 HydrophobicContact CE1-CB 4.16Å; F625-I634 HydrophobicContact CD1-CD1 4.12Å; F625-I634 HydrophobicContact CE1-CD1 3.55Å; F625-I634 HydrophobicContact CZ-CD1 4.05Å
626S83.4Confident85.5Confident58 Ų5853.6 Ų53.641%0.40628%0.283SS..THydrogen-bonded Turntrans-62.5-25.1172.5-59.80000113.3Q621 E622 G628Q621-S626 PolarHBondContact O-N 3.45Å; Q621-S626 PolarHBondContact O-OG 2.73Å; E622-S626 VanDerWaalsContact O-CB 3.3Å; E622-S626 WeakPolarHBondContact O-CB 3.45Å; E622-S626 PolarHBondContact O-OG 3.36Å; S626-G628 VanDerWaalsContact C-N 3.28Å
627A84.6Confident85.9Confident21 Ų2154.6 Ų54.617%0.17429%0.286CS..THydrogen-bonded Turntrans-82.6-1.2172.800000113.6A593 A597 L600 L623 L624 F625A593-A627 HydrophobicContact CB-CB 4.16Å; A597-A627 HydrophobicContact CB-CB 3.84Å; L600-A627 HydrophobicContact CD1-CB 3.73Å; L623-A627 WeakPolarHBondContact O-CB 3.4Å; L624-A627 PolarHBondContact O-N 3.43Å; F625-A627 PolarHBondContact O-N 3.44Å
628G83.5Confident86.1Confident65 Ų6554.9 Ų54.967%0.6729%0.288SS*.THydrogen-bonded Turntrans84.117.3179.700000114.9L624 F625 S626L624-G628 PolarHBondContact O-N 3.06Å; F625-G628 PolarHBondContact O-N 2.91Å; S626-G628 VanDerWaalsContact C-N 3.28Å
629V87.1Confident86.2Confident15 Ų1554.3 Ų54.39%0.09129%0.286CS..  trans-76125.7175.6-176.10000109.9V34 L600 L624 F625 R633 I634V34-V629 HydrophobicContact CG2-CG1 4.23Å; L600-V629 HydrophobicContact CB-CG2 4.29Å; L600-V629 HydrophobicContact CD1-CG2 3.71Å; L600-V629 HydrophobicContact CG-CG2 4.44Å; L624-V629 HydrophobicContact CB-CB 4.38Å; L624-V629 WeakPolarHBondContact O-CB 3.31Å; L624-V629 WeakPolarHBondContact O-CG2 3.47Å; L624-V629 PolarHBondContact O-N 2.93Å; F625-V629 WeakPolarHBondContact CD1-O 3.41Å; V629-R633 HydrophobicContact CG1-CB 4.07Å; V629-I634 HydrophobicContact CG1-CD1 4.13Å; V629-I634 HydrophobicContact CG1-CG1 3.76Å
630K87.3Confident85.8Confident154 Ų15455.9 Ų55.967%0.6731%0.305SS*.  trans-70.4145.8173.7-61.5-176.7-179.5-176.90110.9E632 R633K630-E632 PolarHBondContact O-N 2.96Å; K630-R633 PolarHBondContact O-N 2.96Å
631E86Confident85.3Confident141 Ų14155.4 Ų55.466%0.65930%0.303SS*.G310 helixtrans-56.7-35.5179.6-172.1165.8-160.300113F625 R633 I634F625-E631 HydrophobicContact CE1-CB 4.16Å; E631-R633 PolarHBondContact O-N 3.13Å; E631-I634 WeakPolarHBondContact O-CB 3.33Å; E631-I634 PolarHBondContact O-N 3.1Å
632E88.7Confident84.9Confident158 Ų15854.7 Ų54.774%0.73830%0.301SS*.G310 helixtrans-58.5-29.8176.3-63.7165.3-166.600114K33 K630 I634K33-E632 WeakPolarHBondContact CE-O 3.24Å; K630-E632 PolarHBondContact O-N 2.96Å; E632-I634 VanDerWaalsContact C-N 3.31Å
633R90.1Very high84.9Confident75 Ų7554.6 Ų54.628%0.28330%0.302SS..G310 helixtrans-82.5-12.7177.8-164.2174.8-177.2-165.9-3.9111.5G32 K33 V34 L600 C603 R604 V629 K630 E631G32-R633 PolarHBondContact O-NE 3.3Å; G32-R633 PolarHBondContact O-NH2 3.41Å; K33-R633 CarbonylContact C-O 3.58Å; K33-R633 WeakPolarHBondContact CA-O 3.4Å; K33-R633 VanDerWaalsContact CB-O 3.23Å; K33-R633 WeakPolarHBondContact CB-O 3.37Å; V34-R633 HydrophobicContact CG2-CG 4.33Å; V34-R633 PolarHBondContact N-O 3.3Å; L600-R633 PolarHBondContact O-NH1 3.35Å; C603-R633 PolarHBondContact O-NH2 3.33Å; R604-R633 PolarHBondContact O-NH2 3.38Å; V629-R633 HydrophobicContact CG1-CB 4.07Å; K630-R633 PolarHBondContact O-N 2.96Å; E631-R633 PolarHBondContact O-N 3.13Å
634I91.3Very high84.7Confident15 Ų1556.4 Ų56.48%0.07731%0.313CS..EExtended strand (participates in β ladder)trans-91.1138.9-178.5-56.8175.5000109.3V34 I36 K620 L624 F625 V629 E631 E632V34-I634 CarbonylContact O-C 3.21Å; V34-I634 WeakPolarHBondContact O-CA 3.18Å; I36-I634 HydrophobicContact CD1-CG2 4.3Å; K620-I634 HydrophobicContact CD-CG2 4.31Å; L624-I634 HydrophobicContact CB-CD1 4Å; L624-I634 HydrophobicContact CD1-CD1 3.91Å; L624-I634 HydrophobicContact CD1-CG1 4.26Å; L624-I634 HydrophobicContact CD1-CG2 4.4Å; F625-I634 HydrophobicContact CD1-CD1 4.12Å; F625-I634 HydrophobicContact CE1-CD1 3.55Å; F625-I634 HydrophobicContact CZ-CD1 4.05Å; V629-I634 HydrophobicContact CG1-CD1 4.13Å; V629-I634 HydrophobicContact CG1-CG1 3.76Å; E631-I634 WeakPolarHBondContact O-CB 3.33Å; E631-I634 PolarHBondContact O-N 3.1Å; E632-I634 VanDerWaalsContact C-N 3.31Å
635T91.1Very high84.5Confident43 Ų4359.4 Ų59.426%0.26433%0.332SS..EExtended strand (participates in β ladder)trans-136.2132.4171.5-65.50000109.2K33 V34 G35 I36K33-T635 WeakPolarHBondContact CD-OG1 3.36Å; V34-T635 PolarHBondContact O-N 3Å; G35-T635 CarbonylContact C-O 3.58Å; G35-T635 WeakPolarHBondContact CA-O 3.17Å; I36-T635 PolarHBondContact N-O 2.95Å
636E89.9Confident84.5Confident102 Ų10260.7 Ų60.748%0.47734%0.34SS..EExtended strand (participates in β ladder)trans-109.9135.2179.9-73.3169-123.800109.9I36 K620I36-E636 HydrophobicContact CB-CG 4.29Å; I36-E636 HydrophobicContact CD1-CG 4.4Å; I36-E636 WeakPolarHBondContact O-CA 3.45Å; K620-E636 WeakPolarHBondContact CD-OE1 3.34Å; K620-E636 WeakPolarHBondContact CE-OE1 3.35Å; K620-E636 IonicContact NZ-OE1 2.98Å; K620-E636 PolarHBondContact NZ-OE1 3.35Å; K620-E636 IonicContact NZ-OE2 3.19Å
637F88Confident84.8Confident38 Ų3859 Ų5917%0.16733%0.326CS..EExtended strand (participates in β ladder)trans-136.5127.8172.3-178.2-95000109Q20 F21 A24 I36 F37 E38 C639Q20-F637 HydrophobicContact CB-CE2 4.33Å; Q20-F637 HydrophobicContact CB-CZ 3.92Å; F21-F637 HydrophobicContact CB-CE1 3.85Å; F21-F637 HydrophobicContact CB-CZ 4.37Å; F21-F637 AromaticContact CD2-CD1 3.96Å; F21-F637 HydrophobicContact CD2-CD1 3.96Å; F21-F637 AromaticContact CD2-CE1 3.74Å; F21-F637 HydrophobicContact CD2-CE1 3.74Å; F21-F637 HydrophobicContact CG-CE1 4.16Å; A24-F637 HydrophobicContact CB-CB 4.25Å; A24-F637 HydrophobicContact CB-CD1 4.42Å; A24-F637 HydrophobicContact CB-CD2 3.49Å; A24-F637 VanDerWaalsContact CB-CD2 3.49Å; A24-F637 HydrophobicContact CB-CE2 3.89Å; A24-F637 HydrophobicContact CB-CG 3.78Å; I36-F637 PolarHBondContact O-N 3.27Å; F37-F637 CarbonylContact C-O 3.57Å; F37-F637 WeakPolarHBondContact CA-O 3.13Å; F37-F637 HydrophobicContact CD1-CB 3.81Å; F37-F637 AromaticContact CD1-CD1 3.75Å; F37-F637 HydrophobicContact CD1-CD1 3.75Å; F37-F637 HydrophobicContact CD1-CG 4.1Å; F37-F637 HydrophobicContact CE1-CB 3.76Å; F37-F637 HydrophobicContact CE1-CD1 4.03Å; F37-F637 HydrophobicContact CE1-CG 4.04Å; F37-F637 HydrophobicContact CG-CB 4.41Å; F37-F637 HydrophobicContact CZ-CB 4.33Å; E38-F637 PolarHBondContact N-O 3.45Å; F637-C639 HydrophobicContact CE1-CB 3.76Å; F637-C639 HydrophobicContact CZ-CB 4.11Å
638S84.2Confident85.1Confident66 Ų6658.4 Ų58.446%0.46232%0.32SS..EExtended strand (participates in β ladder)trans-129.1123.6173.5-178.70000108E38E38-S638 WeakPolarHBondContact O-CA 3.29Å; E38-S638 WeakPolarHBondContact OE2-CB 3.41Å; E38-S638 PolarHBondContact OE2-OG 3.36Å
639C78.6Confident85.6Confident8 Ų856.7 Ų56.75%0.05430%0.295CS..  trans-100.1151.4173.561.90000111.8I17 E38 S39 P40 F637I17-C639 HydrophobicContact CB-CB 4.46Å; E38-C639 PolarHBondContact O-N 2.81Å; E38-C639 VanDerWaalsContact O-N 3.09Å; S39-C639 VanDerWaalsContact CA-SG 3.59Å; S39-C639 VanDerWaalsContact CB-SG 3.59Å; S39-C639 PolarHBondContact OG-SG 3.17Å; S39-C639 VanDerWaalsContact OG-SG 3.4Å; P40-C639 WeakPolarHBondContact CD-O 3.48Å; F637-C639 HydrophobicContact CE1-CB 3.76Å; F637-C639 HydrophobicContact CZ-CB 4.11Å
640G74.7Confident85.9Confident42 Ų4256 Ų5643%0.43329%0.291SS..  trans-66.2-179.8170.400000112.4
641H76.9Confident86.3Confident23 Ų2348.8 Ų48.811%0.10626%0.26CS..  trans-94.1147.3177.2-161.1-58.7000110.7P40 T41 I643 I839 W867P40-H641 HydrophobicContact CB-CB 4.37Å; P40-H641 VanDerWaalsContact CB-CD2 3.47Å; P40-H641 WeakPolarHBondContact CB-CD2 3.34Å; P40-H641 HydrophobicContact CG-CB 4.27Å; T41-H641 PolarHBondContact O-NE2 3.31Å; H641-I643 HydrophobicContact CB-CG2 3.93Å; H641-I643 WeakPolarHBondContact ND1-CB 3.44Å; H641-I643 VanDerWaalsContact ND1-CG2 3.32Å; H641-I643 WeakPolarHBondContact ND1-CG2 2.83Å; H641-I643 PolarHBondContact ND1-N 3.06Å; H641-I643 PolarHBondContact O-N 3.02Å; H641-I839 VanDerWaalsContact CE1-CG2 3.44Å; H641-I839 WeakPolarHBondContact CE1-CG2 3.36Å; H641-W867 HydrophobicContact CB-CB 3.88Å; H641-W867 HydrophobicContact CB-CD2 3.8Å; H641-W867 HydrophobicContact CB-CE3 3.98Å; H641-W867 HydrophobicContact CB-CG 3.75Å; H641-W867 AromaticContact CD2-CD2 3.74Å; H641-W867 AromaticContact CD2-CE2 3.68Å; H641-W867 AromaticContact CD2-CE3 3.79Å; H641-W867 AromaticContact CD2-CH2 3.78Å; H641-W867 AromaticContact CD2-CZ2 3.73Å; H641-W867 AromaticContact CD2-CZ3 3.77Å
642V75.3Confident86.8Confident31 Ų3142.1 Ų42.119%0.18823%0.228CC..SBendtrans-70.3-4.4174.6-1660000112.3Y15 I17 T43 R842Y15-V642 HydrophobicContact CD1-CG1 4.46Å; Y15-V642 HydrophobicContact CD2-CG1 4.13Å; Y15-V642 HydrophobicContact CD2-CG2 4.14Å; Y15-V642 HydrophobicContact CE1-CG1 4.43Å; Y15-V642 HydrophobicContact CE2-CG1 4.12Å; Y15-V642 HydrophobicContact CG-CG1 4.32Å; I17-V642 HydrophobicContact CD1-CB 4.4Å; I17-V642 HydrophobicContact CD1-CG2 3.26Å; I17-V642 HydrophobicContact CG1-CG2 4.1Å; T43-V642 HydrophobicContact CG2-CG2 3.91Å; V642-R842 HydrophobicContact CG1-CB 3.82Å
643I81.6Confident87Confident15 Ų1534.8 Ų34.88%0.07719%0.194CC..SBendtrans-80133-172.4-170.3173.3000109H641 N647 I648 I839 D844 W867H641-I643 HydrophobicContact CB-CG2 3.93Å; H641-I643 WeakPolarHBondContact ND1-CB 3.44Å; H641-I643 VanDerWaalsContact ND1-CG2 3.32Å; H641-I643 WeakPolarHBondContact ND1-CG2 2.83Å; H641-I643 PolarHBondContact ND1-N 3.06Å; H641-I643 PolarHBondContact O-N 3.02Å; I643-N647 HydrophobicContact CD1-CB 3.63Å; I643-N647 HydrophobicContact CG1-CB 3.6Å; I643-I648 HydrophobicContact CD1-CB 4.34Å; I643-I839 HydrophobicContact CB-CG2 4.33Å; I643-I839 HydrophobicContact CD1-CB 4.48Å; I643-I839 HydrophobicContact CD1-CD1 3.74Å; I643-I839 HydrophobicContact CD1-CG1 4.05Å; I643-I839 HydrophobicContact CD1-CG2 3.6Å; I643-I839 HydrophobicContact CG1-CG2 4.42Å; I643-D844 WeakPolarHBondContact CD1-O 3.4Å; I643-W867 HydrophobicContact CG2-CE3 4.23Å; I643-W867 HydrophobicContact CG2-CZ3 4.32Å
644P82.9Confident87.2Confident38 Ų3832.1 Ų32.125%0.24719%0.187CC..  trans-58.8139.7172.1-23.233.1000111.1E646 N647 R842P644-E646 HydrophobicContact CB-CG 4.13Å; P644-E646 WeakPolarHBondContact CB-OE1 3.41Å; P644-E646 WeakPolarHBondContact CB-OE2 3.49Å; P644-E646 PolarHBondContact O-N 3.18Å; P644-N647 PolarHBondContact O-N 3.02Å; P644-R842 WeakPolarHBondContact CD-O 3.05Å
645P82.8Confident87.3Confident62 Ų6231.8 Ų31.840%0.40319%0.187SC..G310 helixtrans-46.8-36.6176.3-35.740.9000115.6N647 R871P645-N647 VanDerWaalsContact C-N 3.25Å; P645-N647 PolarHBondContact O-N 3.32Å; P645-R871 VanDerWaalsContact CB-CZ 3.48Å; P645-R871 VanDerWaalsContact CB-NH2 3.34Å
646E86.6Confident87.4Confident105 Ų10529.9 Ų29.949%0.49118%0.175SC..G310 helixtrans-75.1-9.3-17863.2-88.7-160.100113.9P644 F888 K892P644-E646 HydrophobicContact CB-CG 4.13Å; P644-E646 WeakPolarHBondContact CB-OE1 3.41Å; P644-E646 WeakPolarHBondContact CB-OE2 3.49Å; P644-E646 PolarHBondContact O-N 3.18Å; E646-F888 WeakPolarHBondContact O-CE2 3.23Å; E646-K892 WeakPolarHBondContact O-CE 3.32Å; E646-K892 PolarHBondContact O-NZ 3.43Å
647N89.4Confident87.5Confident21 Ų2127.4 Ų27.411%0.11217%0.168CC..G310 helixtrans-96.9-2.7-178.5-74.94.5000113.2I643 P644 P645 R842 D844 Y845 S846 F888 K892I643-N647 HydrophobicContact CD1-CB 3.63Å; I643-N647 HydrophobicContact CG1-CB 3.6Å; P644-N647 PolarHBondContact O-N 3.02Å; P645-N647 VanDerWaalsContact C-N 3.25Å; P645-N647 PolarHBondContact O-N 3.32Å; N647-R842 PolarHBondContact ND2-O 3.1Å; N647-D844 VanDerWaalsContact CB-O 3.31Å; N647-D844 WeakPolarHBondContact CB-O 3.48Å; N647-D844 PolarHBondContact ND2-O 2.77Å; N647-D844 VanDerWaalsContact ND2-O 3.12Å; N647-Y845 CarbonylContact O-C 3.6Å; N647-Y845 WeakPolarHBondContact O-CA 3.25Å; N647-Y845 VanDerWaalsContact O-CB 3.23Å; N647-Y845 WeakPolarHBondContact O-CB 3.2Å; N647-S846 PolarHBondContact O-N 3.02Å; N647-S846 VanDerWaalsContact O-N 3.08Å; N647-F888 WeakPolarHBondContact O-CZ 3.38Å; N647-K892 WeakPolarHBondContact OD1-CE 3.13Å; N647-K892 PolarHBondContact OD1-NZ 3.08Å
648I90.8Very high87.6Confident10 Ų1029 Ų295%0.05118%0.184CC..EExtended strand (participates in β ladder)trans-125.4134.6175.7-177.8169.3000111.1I643 P650 I839 S846 I848 W867 I868 R871I643-I648 HydrophobicContact CD1-CB 4.34Å; I648-P650 HydrophobicContact CD1-CG 4.32Å; I648-P650 HydrophobicContact CG1-CG 4.17Å; I648-I839 HydrophobicContact CB-CD1 4.22Å; I648-I839 HydrophobicContact CD1-CD1 3.72Å; I648-I839 HydrophobicContact CG1-CD1 4.1Å; I648-S846 WeakPolarHBondContact CA-O 3.49Å; I648-I848 HydrophobicContact CD1-CD1 3.83Å; I648-W867 HydrophobicContact CD1-CE3 3.87Å; I648-W867 HydrophobicContact CD1-CH2 4.05Å; I648-W867 HydrophobicContact CD1-CZ3 3.25Å; I648-I868 HydrophobicContact CD1-CG1 4.22Å; I648-R871 HydrophobicContact CG2-CG 4.46Å
649L93.7Very high87.8Confident28 Ų2828.6 Ų28.615%0.14719%0.19CC..EExtended strand (participates in β ladder)trans-12794.7172.1-177.169.4000110.7L651 S846 S847 I848 L885 F888L649-L651 HydrophobicContact CD1-CD2 3.9Å; L649-L651 HydrophobicContact CD2-CD1 4.03Å; L649-L651 HydrophobicContact CD2-CD2 4.14Å; L649-L651 HydrophobicContact CD2-CG 4.18Å; L649-L651 HydrophobicContact CG-CD1 4.37Å; L649-L651 HydrophobicContact CG-CD2 3.85Å; L649-L651 HydrophobicContact CG-CG 3.97Å; L649-S846 PolarHBondContact N-O 2.78Å; L649-S847 CarbonylContact O-C 3.59Å; L649-S847 VanDerWaalsContact O-CA 3.29Å; L649-S847 WeakPolarHBondContact O-CA 3.33Å; L649-I848 PolarHBondContact O-N 3.39Å; L649-L885 HydrophobicContact CD2-CD1 4.38Å; L649-F888 HydrophobicContact CB-CD1 4.3Å; L649-F888 HydrophobicContact CB-CD2 3.89Å; L649-F888 HydrophobicContact CB-CE1 4.47Å; L649-F888 HydrophobicContact CB-CE2 4.06Å; L649-F888 HydrophobicContact CB-CG 4.01Å; L649-F888 HydrophobicContact CB-CZ 4.35Å; L649-F888 HydrophobicContact CD2-CB 3.71Å; L649-F888 HydrophobicContact CD2-CD1 4.5Å; L649-F888 HydrophobicContact CD2-CG 4.04Å
650P94.1Very high88.4Confident1 Ų131.7 Ų31.71%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-87.1123.6171.213.14.5000111I648 I848 I868 R871 T872 S873I648-P650 HydrophobicContact CD1-CG 4.32Å; I648-P650 HydrophobicContact CG1-CG 4.17Å; P650-I848 CarbonylContact C-O 3.57Å; P650-I848 WeakPolarHBondContact CA-O 3.29Å; P650-I848 HydrophobicContact CB-CB 4.46Å; P650-I868 HydrophobicContact CB-CG2 3.84Å; P650-I868 HydrophobicContact CG-CG2 4Å; P650-R871 WeakPolarHBondContact CD-O 3.5Å; P650-R871 HydrophobicContact CG-CB 3.87Å; P650-T872 WeakPolarHBondContact O-CA 3.4Å; P650-S873 PolarHBondContact O-N 3Å
651L95.1Very high89.3Confident3 Ų335.6 Ų35.62%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-120.2131.4-179.5-57.9177.8000110L649 I848 L850 S873 A884 L885L649-L651 HydrophobicContact CD1-CD2 3.9Å; L649-L651 HydrophobicContact CD2-CD1 4.03Å; L649-L651 HydrophobicContact CD2-CD2 4.14Å; L649-L651 HydrophobicContact CD2-CG 4.18Å; L649-L651 HydrophobicContact CG-CD1 4.37Å; L649-L651 HydrophobicContact CG-CD2 3.85Å; L649-L651 HydrophobicContact CG-CG 3.97Å; L651-I848 PolarHBondContact N-O 3.4Å; L651-L850 PolarHBondContact O-N 2.99Å; L651-S873 WeakPolarHBondContact CD2-OG 3.14Å; L651-A884 HydrophobicContact CD2-CB 4.49Å; L651-L885 HydrophobicContact CD1-CB 4.19Å; L651-L885 HydrophobicContact CD1-CD1 4.2Å
652V95.9Very high90.1Very high0 Ų034.5 Ų34.50%021%0.206CC..EExtended strand (participates in β ladder)trans-100.2120.7165.8174.20000108.8L850 A856 L861 T872 S873 T874 H875V652-L850 HydrophobicContact CG2-CB 4.18Å; V652-L850 HydrophobicContact CG2-CD1 4.02Å; V652-A856 HydrophobicContact CG1-CB 4.42Å; V652-L861 HydrophobicContact CG2-CD2 4.33Å; V652-T872 HydrophobicContact CG2-CG2 3.62Å; V652-S873 PolarHBondContact N-O 3.03Å; V652-T874 HydrophobicContact CB-CG2 4.31Å; V652-T874 HydrophobicContact CG1-CG2 4.18Å; V652-H875 PolarHBondContact O-N 3.48Å
653L94.7Very high90.9Very high4 Ų434 Ų342%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-99.3117.3176-64.8-178.5000110L662 I681 V849 L850 D852 F878 A881L653-L662 HydrophobicContact CB-CD1 3.9Å; L653-I681 HydrophobicContact CD1-CG2 4.17Å; L653-V849 HydrophobicContact CD1-CG1 3.35Å; L653-V849 HydrophobicContact CG-CG1 3.8Å; L653-L850 PolarHBondContact N-O 2.98Å; L653-D852 CarbonylContact O-C 3.58Å; L653-D852 PolarHBondContact O-N 3.45Å; L653-F878 HydrophobicContact CD1-CD2 4.35Å; L653-F878 HydrophobicContact CD1-CE2 4.43Å; L653-A881 HydrophobicContact CD2-CB 3.21Å
654C93.4Very high91.3Very high20 Ų2033.8 Ų33.814%0.13520%0.201CC..SBendtrans-93.1-26.1175.4-610000113.4L662 R853 H875C654-L662 PolarHBondContact O-N 2.85Å; C654-R853 HydrophobicContact CB-CB 4.11Å; C654-H875 PolarHBondContact N-O 3.45Å; C654-H875 VanDerWaalsContact N-O 3.1Å
655A94.1Very high91.7Very high8 Ų833.8 Ų33.87%0.06620%0.2CC..BIsolated β-bridgetrans-138.6151.4179.300000111.2Q660 S876A655-Q660 CarbonylContact C-O 3.55Å; A655-Q660 VanDerWaalsContact CA-O 3.23Å; A655-Q660 WeakPolarHBondContact CA-O 3.47Å; A655-S876 WeakPolarHBondContact CB-O 3.04Å
656G91.6Very high91.7Very high2 Ų237.8 Ų37.82%0.02121%0.211CC..  trans-88.3-178.9178.500000114.4S658 G659 Q660 E677G656-S658 PolarHBondContact O-N 3.46Å; G656-G659 PolarHBondContact O-N 3.34Å; G656-Q660 PolarHBondContact N-O 3.27Å; G656-E677 WeakPolarHBondContact CA-OE1 3.26Å
657P91.9Very high91.7Very high51 Ų5140.8 Ų40.833%0.33123%0.225SC..THydrogen-bonded Turntrans-54.7-29.6-179.7-26.133.3000116.1G659 E677 R680 I681 F878P657-G659 VanDerWaalsContact C-N 3.32Å; P657-E677 WeakPolarHBondContact CD-OE1 3.42Å; P657-R680 HydrophobicContact CG-CB 4.04Å; P657-I681 VanDerWaalsContact CD-CG1 3.5Å; P657-I681 HydrophobicContact CG-CG1 4.18Å; P657-F878 HydrophobicContact CB-CD1 4Å; P657-F878 HydrophobicContact CB-CE1 4.38Å; P657-F878 HydrophobicContact CB-CG 4.35Å; P657-F878 HydrophobicContact CG-CD1 3.7Å; P657-F878 HydrophobicContact CG-CD2 4.05Å; P657-F878 HydrophobicContact CG-CE1 3.81Å; P657-F878 HydrophobicContact CG-CE2 4.16Å; P657-F878 HydrophobicContact CG-CG 3.83Å; P657-F878 HydrophobicContact CG-CZ 4.05Å
658S90.9Very high91.7Very high71 Ų7143 Ų4350%0.49724%0.237SC..THydrogen-bonded Turntrans-86.9-0.8177.866.20000113.8G656 Q660 E677G656-S658 PolarHBondContact O-N 3.46Å; S658-Q660 VanDerWaalsContact C-N 3.29Å; S658-E677 WeakPolarHBondContact CB-OE2 3.45Å; S658-E677 PolarHBondContact N-OE1 2.85Å; S658-E677 PolarHBondContact OG-OE1 3.18Å; S658-E677 PolarHBondContact OG-OE2 3.47Å
659G88.5Confident91.5Very high57 Ų5744.5 Ų44.559%0.58824%0.242SC*.SBendtrans85.1-1.4-173.500000113.9G656 P657 E661G656-G659 PolarHBondContact O-N 3.34Å; P657-G659 VanDerWaalsContact C-N 3.32Å; G659-E661 PolarHBondContact O-N 3.48Å
660Q91.3Very high91.3Very high74 Ų7445.7 Ų45.735%0.34625%0.248SC..  trans-62.6128.6175.1-178.760.532.800110.9A655 G656 S658 M674 E677A655-Q660 CarbonylContact C-O 3.55Å; A655-Q660 VanDerWaalsContact CA-O 3.23Å; A655-Q660 WeakPolarHBondContact CA-O 3.47Å; G656-Q660 PolarHBondContact N-O 3.27Å; S658-Q660 VanDerWaalsContact C-N 3.29Å; Q660-M674 HydrophobicContact CG-SD 4.15Å; Q660-E677 HydrophobicContact CB-CG 4.19Å
661E93Very high91.2Very high123 Ų12347.4 Ų47.458%0.57526%0.26SS*.BIsolated β-bridgetrans-66.5134.7174.4-70.3-163.3157.500111.5G659 D663 M674G659-E661 PolarHBondContact O-N 3.48Å; E661-D663 PolarHBondContact O-N 2.95Å; E661-M674 VanDerWaalsContact O-SD 3.41Å
662L93.3Very high91Very high0 Ų051 Ų510%028%0.284CS..  trans-85.691.3-178.6-62.3-179.7000110.8L653 C654 F664 M674 E677 I681 C851 R853L653-L662 HydrophobicContact CB-CD1 3.9Å; C654-L662 PolarHBondContact O-N 2.85Å; L662-F664 HydrophobicContact CB-CE2 4.02Å; L662-F664 HydrophobicContact CD2-CE2 4.32Å; L662-F664 HydrophobicContact CD2-CZ 4.42Å; L662-M674 HydrophobicContact CD2-CE 4.23Å; L662-E677 HydrophobicContact CD2-CG 4.17Å; L662-I681 HydrophobicContact CD1-CD1 3.7Å; L662-I681 HydrophobicContact CD2-CD1 3.83Å; L662-I681 HydrophobicContact CG-CD1 4.4Å; L662-C851 HydrophobicContact CD1-CB 4.3Å; L662-R853 PolarHBondContact O-N 3.26Å
663D92.3Very high90.8Very high20 Ų2057.3 Ų57.311%0.10731%0.314CS..  trans-117101.4173.7-176.97000111.6E661 T665 N668 R853E661-D663 PolarHBondContact O-N 2.95Å; D663-T665 VanDerWaalsContact C-N 3.3Å; D663-T665 PolarHBondContact O-N 3.5Å; D663-T665 WeakPolarHBondContact OD1-CB 3.21Å; D663-T665 WeakPolarHBondContact OD1-CG2 3.29Å; D663-T665 PolarHBondContact OD1-N 3.31Å; D663-T665 PolarHBondContact OD1-OG1 3.43Å; D663-T665 PolarHBondContact OD2-OG1 3.36Å; D663-N668 WeakPolarHBondContact O-CB 3.28Å; D663-N668 PolarHBondContact OD2-ND2 3.47Å; D663-R853 IonicContact OD2-NH2 2.67Å
664F91.6Very high90.7Very high12 Ų1257.3 Ų57.35%0.05331%0.313CS..  trans-94.234.8177.6-62.8-85.9000112.7L662 R669 M674 T678 V787 C851 D852 R854L662-F664 HydrophobicContact CB-CE2 4.02Å; L662-F664 HydrophobicContact CD2-CE2 4.32Å; L662-F664 HydrophobicContact CD2-CZ 4.42Å; F664-R669 HydrophobicContact CB-CB 4.48Å; F664-R669 HydrophobicContact CD1-CB 4.48Å; F664-M674 HydrophobicContact CD1-CE 3.92Å; F664-M674 HydrophobicContact CD2-CE 4.11Å; F664-M674 HydrophobicContact CE1-CE 3.66Å; F664-M674 HydrophobicContact CE2-CE 3.86Å; F664-M674 HydrophobicContact CG-CE 4.14Å; F664-M674 HydrophobicContact CZ-CE 3.63Å; F664-T678 WeakPolarHBondContact CE1-OG1 3.37Å; F664-T678 VanDerWaalsContact CZ-OG1 3.32Å; F664-T678 WeakPolarHBondContact CZ-OG1 3.39Å; F664-V787 HydrophobicContact CD1-CG1 4.04Å; F664-V787 HydrophobicContact CE1-CG1 3.58Å; F664-V787 HydrophobicContact CE2-CG1 4.37Å; F664-V787 HydrophobicContact CZ-CG1 3.77Å; F664-C851 WeakPolarHBondContact CD2-O 3.37Å; F664-C851 HydrophobicContact CE2-CB 4.23Å; F664-C851 WeakPolarHBondContact CE2-O 3.46Å; F664-D852 HydrophobicContact CD2-CB 4.38Å; F664-D852 PolarHBondContact N-OD2 2.96Å; F664-R854 PolarHBondContact O-NH2 3.15Å
665T89.6Confident90.7Very high38 Ų3857 Ų5723%0.23331%0.31CS..SBendtrans-64.2158.116751.10000111.4D663 Q667 N668 R669D663-T665 VanDerWaalsContact C-N 3.3Å; D663-T665 PolarHBondContact O-N 3.5Å; D663-T665 WeakPolarHBondContact OD1-CB 3.21Å; D663-T665 WeakPolarHBondContact OD1-CG2 3.29Å; D663-T665 PolarHBondContact OD1-N 3.31Å; D663-T665 PolarHBondContact OD1-OG1 3.43Å; D663-T665 PolarHBondContact OD2-OG1 3.36Å; T665-Q667 PolarHBondContact O-N 2.85Å; T665-Q667 VanDerWaalsContact O-N 3.11Å; T665-N668 PolarHBondContact O-N 2.83Å; T665-N668 VanDerWaalsContact O-N 3.11Å; T665-R669 VanDerWaalsContact O-CB 3.27Å; T665-R669 WeakPolarHBondContact O-CB 3.27Å; T665-R669 WeakPolarHBondContact O-CG 3.35Å; T665-R669 PolarHBondContact O-N 3.06Å
666F84.7Confident90.7Very high145 Ų14558.8 Ų58.864%0.63632%0.319SS*.THydrogen-bonded Turntrans-54.4-33.6-179.1-178.2-92.6000113.1R669F666-R669 VanDerWaalsContact CD2-NH2 3.29Å
667Q85.6Confident90.8Very high168 Ų16858.7 Ų58.779%0.78532%0.318SS*.THydrogen-bonded Turntrans-71.7-39.9180-65.7172.4-2.500112.4T665T665-Q667 PolarHBondContact O-N 2.85Å; T665-Q667 VanDerWaalsContact O-N 3.11Å
668N88.4Confident90.9Very high69 Ų6956.4 Ų56.437%0.36930%0.303SS..THydrogen-bonded Turntrans-101-24.4-169-67.9-19000113.8D663 T665 D670 S671D663-N668 WeakPolarHBondContact O-CB 3.28Å; D663-N668 PolarHBondContact OD2-ND2 3.47Å; T665-N668 PolarHBondContact O-N 2.83Å; T665-N668 VanDerWaalsContact O-N 3.11Å; N668-D670 PolarHBondContact O-N 3.36Å; N668-S671 WeakPolarHBondContact O-CB 3.48Å; N668-S671 PolarHBondContact O-N 3.22Å; N668-S671 VanDerWaalsContact O-N 3.07Å; N668-S671 PolarHBondContact O-OG 2.85Å
669R87.4Confident91.1Very high41 Ų4153 Ų5316%0.15528%0.279CS..THydrogen-bonded Turntrans-61.1-29.5-173.871.4-178.5-173.6-177.73.1114.2F664 T665 F666 S671 Y702F664-R669 HydrophobicContact CB-CB 4.48Å; F664-R669 HydrophobicContact CD1-CB 4.48Å; T665-R669 VanDerWaalsContact O-CB 3.27Å; T665-R669 WeakPolarHBondContact O-CB 3.27Å; T665-R669 WeakPolarHBondContact O-CG 3.35Å; T665-R669 PolarHBondContact O-N 3.06Å; F666-R669 VanDerWaalsContact CD2-NH2 3.29Å; R669-S671 VanDerWaalsContact C-N 3.29Å; R669-Y702 HydrophobicContact CB-CE2 3.83Å; R669-Y702 HydrophobicContact CG-CD2 4.18Å; R669-Y702 HydrophobicContact CG-CE2 3.87Å; R669-Y702 VanDerWaalsContact O-CE2 3.23Å; R669-Y702 WeakPolarHBondContact O-CE2 3.36Å; R669-Y702 PolarHBondContact O-OH 3.21Å
670D89.5Confident91.3Very high52 Ų5255.3 Ų55.328%0.27827%0.27SS..THydrogen-bonded Turntrans-87.20.8-177.4-72.2-14.4000112.3N668 M675 R705N668-D670 PolarHBondContact O-N 3.36Å; D670-M675 HydrophobicContact CB-CE 4.43Å; D670-R705 IonicContact OD1-NH1 3.87Å; D670-R705 IonicContact OD2-NH1 3.75Å; D670-R705 PolarHBondContact OD2-NH1 3.13Å
671S92.8Very high91.5Very high37 Ų3751.9 Ų51.926%0.25925%0.254SS..SBendtrans-69.5135.9175.665.40000111.2N668 R669 Q673 M674 M675N668-S671 WeakPolarHBondContact O-CB 3.48Å; N668-S671 PolarHBondContact O-N 3.22Å; N668-S671 VanDerWaalsContact O-N 3.07Å; N668-S671 PolarHBondContact O-OG 2.85Å; R669-S671 VanDerWaalsContact C-N 3.29Å; S671-Q673 PolarHBondContact O-N 3.35Å; S671-M674 PolarHBondContact O-N 2.94Å; S671-M674 VanDerWaalsContact O-N 3.12Å; S671-M674 VanDerWaalsContact OG-CB 3.31Å; S671-M674 WeakPolarHBondContact OG-CB 3.27Å; S671-M674 WeakPolarHBondContact OG-CG 3.43Å; S671-M675 PolarHBondContact O-N 3.48Å
672P91.3Very high91.6Very high79 Ų7946 Ų4651%0.51323%0.227SC..Hα-helixtrans-56.9-36.6178.8-27.835.2000113.2M674 M675 D676P672-M674 PolarHBondContact O-N 3.26Å; P672-M675 PolarHBondContact O-N 2.93Å; P672-D676 WeakPolarHBondContact O-CB 3.36Å; P672-D676 VanDerWaalsContact O-CG 3.32Å; P672-D676 PolarHBondContact O-N 3.36Å
673Q91.5Very high91.6Very high133 Ų13347 Ų4762%0.62123%0.233SC*.Hα-helixtrans-59.2-44.3177.4-65.9177.3-4.500111.9S671 E677S671-Q673 PolarHBondContact O-N 3.35Å; Q673-E677 VanDerWaalsContact O-CB 3.27Å; Q673-E677 WeakPolarHBondContact O-CB 3.36Å; Q673-E677 PolarHBondContact O-N 3.5Å
674M92.8Very high91.6Very high3 Ų348.4 Ų48.42%0.01524%0.241CC..Hα-helixtrans-67.7-38.4177.4-76.7-64.5-58.400112.5Q660 E661 L662 F664 S671 P672 E677 T678Q660-M674 HydrophobicContact CG-SD 4.15Å; E661-M674 VanDerWaalsContact O-SD 3.41Å; L662-M674 HydrophobicContact CD2-CE 4.23Å; F664-M674 HydrophobicContact CD1-CE 3.92Å; F664-M674 HydrophobicContact CD2-CE 4.11Å; F664-M674 HydrophobicContact CE1-CE 3.66Å; F664-M674 HydrophobicContact CE2-CE 3.86Å; F664-M674 HydrophobicContact CG-CE 4.14Å; F664-M674 HydrophobicContact CZ-CE 3.63Å; S671-M674 PolarHBondContact O-N 2.94Å; S671-M674 VanDerWaalsContact O-N 3.12Å; S671-M674 VanDerWaalsContact OG-CB 3.31Å; S671-M674 WeakPolarHBondContact OG-CB 3.27Å; S671-M674 WeakPolarHBondContact OG-CG 3.43Å; P672-M674 PolarHBondContact O-N 3.26Å; M674-E677 PolarHBondContact O-N 3.34Å; M674-T678 WeakPolarHBondContact O-CB 3.47Å; M674-T678 PolarHBondContact O-N 3.32Å; M674-T678 PolarHBondContact O-OG1 3.22Å
675M93.1Very high91.7Very high13 Ų1348 Ų486%0.06424%0.239CC..Hα-helixtrans-64.8-45.7176.3-64.6-167.5-172.500111.3D670 S671 P672 E677 T678 G679 Y702 R705 I706 H709 W710D670-M675 HydrophobicContact CB-CE 4.43Å; S671-M675 PolarHBondContact O-N 3.48Å; P672-M675 PolarHBondContact O-N 2.93Å; M675-E677 VanDerWaalsContact C-N 3.33Å; M675-E677 PolarHBondContact O-N 3.09Å; M675-T678 PolarHBondContact O-N 3.36Å; M675-G679 PolarHBondContact O-N 2.81Å; M675-G679 VanDerWaalsContact O-N 3.07Å; M675-Y702 HydrophobicContact CE-CE2 4.41Å; M675-R705 HydrophobicContact CE-CB 4.43Å; M675-I706 HydrophobicContact CB-CD1 4.44Å; M675-I706 HydrophobicContact CB-CG1 4.01Å; M675-I706 HydrophobicContact CG-CD1 4.41Å; M675-I706 HydrophobicContact CG-CG1 3.97Å; M675-I706 HydrophobicContact SD-CB 4.45Å; M675-I706 HydrophobicContact SD-CG1 4.31Å; M675-H709 HydrophobicContact SD-CB 3.73Å; M675-W710 PolarHBondContact O-NE1 2.81Å
676D93.1Very high91.9Very high46 Ų4646.2 Ų46.225%0.24623%0.228CC..Hα-helixtrans-62.4-42176.3-72.2-22.1000111.5P672 T678 G679 R680 H709P672-D676 WeakPolarHBondContact O-CB 3.36Å; P672-D676 VanDerWaalsContact O-CG 3.32Å; P672-D676 PolarHBondContact O-N 3.36Å; D676-T678 PolarHBondContact O-N 2.84Å; D676-G679 WeakPolarHBondContact O-CA 3.25Å; D676-G679 PolarHBondContact O-N 3.05Å; D676-G679 VanDerWaalsContact O-N 3.15Å; D676-R680 WeakPolarHBondContact O-CG 3.5Å; D676-R680 PolarHBondContact O-N 3.2Å; D676-H709 IonicContact OD1-CD2 2.66Å; D676-H709 PolarHBondContact OD1-CD2 3.39Å; D676-H709 IonicContact OD1-CE1 3.86Å; D676-H709 IonicContact OD1-NE2 2.75Å; D676-H709 PolarHBondContact OD1-NE2 3.04Å; D676-H709 IonicContact OD2-NE2 3.95Å
677E94.3Very high92.1Very high1 Ų143.6 Ų43.61%0.00522%0.221CC..Hα-helixtrans-64.1-42.4179.8-163.868.5174.900112.2G656 P657 S658 Q660 L662 Q673 M674 M675 G679 R680 I681G656-E677 WeakPolarHBondContact CA-OE1 3.26Å; P657-E677 WeakPolarHBondContact CD-OE1 3.42Å; S658-E677 WeakPolarHBondContact CB-OE2 3.45Å; S658-E677 PolarHBondContact N-OE1 2.85Å; S658-E677 PolarHBondContact OG-OE1 3.18Å; S658-E677 PolarHBondContact OG-OE2 3.47Å; Q660-E677 HydrophobicContact CB-CG 4.19Å; L662-E677 HydrophobicContact CD2-CG 4.17Å; Q673-E677 VanDerWaalsContact O-CB 3.27Å; Q673-E677 WeakPolarHBondContact O-CB 3.36Å; Q673-E677 PolarHBondContact O-N 3.5Å; M674-E677 PolarHBondContact O-N 3.34Å; M675-E677 VanDerWaalsContact C-N 3.33Å; M675-E677 PolarHBondContact O-N 3.09Å; E677-G679 VanDerWaalsContact C-N 3.28Å; E677-G679 PolarHBondContact O-N 3.07Å; E677-R680 WeakPolarHBondContact O-CB 3.42Å; E677-R680 PolarHBondContact O-N 2.92Å; E677-R680 WeakPolarHBondContact OE2-CD 3.26Å; E677-R680 IonicContact OE2-CZ 2.69Å; E677-R680 IonicContact OE2-NH1 3.84Å; E677-R680 PolarHBondContact OE2-NH1 3.18Å; E677-I681 WeakPolarHBondContact O-CG1 3.34Å; E677-I681 PolarHBondContact O-N 3.45Å
678T94.3Very high92.3Very high3 Ų337.2 Ų37.22%0.01819%0.194CC..Hα-helixtrans-59.9-41.6173.2-54.80000110.9F664 M674 M675 D676 R680 I681 L682 I706 W710 V787F664-T678 WeakPolarHBondContact CE1-OG1 3.37Å; F664-T678 VanDerWaalsContact CZ-OG1 3.32Å; F664-T678 WeakPolarHBondContact CZ-OG1 3.39Å; M674-T678 WeakPolarHBondContact O-CB 3.47Å; M674-T678 PolarHBondContact O-N 3.32Å; M674-T678 PolarHBondContact O-OG1 3.22Å; M675-T678 PolarHBondContact O-N 3.36Å; D676-T678 PolarHBondContact O-N 2.84Å; T678-R680 PolarHBondContact O-N 2.83Å; T678-I681 PolarHBondContact O-N 3.24Å; T678-L682 WeakPolarHBondContact O-CG 3.34Å; T678-L682 PolarHBondContact O-N 2.74Å; T678-I706 HydrophobicContact CG2-CD1 4Å; T678-W710 HydrophobicContact CG2-CH2 4.04Å; T678-W710 HydrophobicContact CG2-CZ2 3.77Å; T678-V787 HydrophobicContact CG2-CG1 3.99Å; T678-V787 HydrophobicContact CG2-CG2 4.1Å
679G94.2Very high92.5Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-61.8-40175.300000113.3M675 D676 E677 S683M675-G679 PolarHBondContact O-N 2.81Å; M675-G679 VanDerWaalsContact O-N 3.07Å; D676-G679 WeakPolarHBondContact O-CA 3.25Å; D676-G679 PolarHBondContact O-N 3.05Å; D676-G679 VanDerWaalsContact O-N 3.15Å; E677-G679 VanDerWaalsContact C-N 3.28Å; E677-G679 PolarHBondContact O-N 3.07Å; G679-S683 WeakPolarHBondContact O-CB 3.41Å; G679-S683 PolarHBondContact O-N 2.86Å; G679-S683 PolarHBondContact O-OG 2.97Å
680R93.8Very high92.5Very high104 Ų10434.7 Ų34.739%0.39219%0.186SC..Hα-helixtrans-66.7-41.6175.2-68.3168.6-178166-2.4111.9P657 D676 E677 T678 S683 N684P657-R680 HydrophobicContact CG-CB 4.04Å; D676-R680 WeakPolarHBondContact O-CG 3.5Å; D676-R680 PolarHBondContact O-N 3.2Å; E677-R680 WeakPolarHBondContact O-CB 3.42Å; E677-R680 PolarHBondContact O-N 2.92Å; E677-R680 WeakPolarHBondContact OE2-CD 3.26Å; E677-R680 IonicContact OE2-CZ 2.69Å; E677-R680 IonicContact OE2-NH1 3.84Å; E677-R680 PolarHBondContact OE2-NH1 3.18Å; T678-R680 PolarHBondContact O-N 2.83Å; R680-S683 PolarHBondContact O-N 2.84Å; R680-N684 PolarHBondContact O-N 2.89Å; R680-N684 VanDerWaalsContact O-N 3.09Å; R680-N684 PolarHBondContact O-ND2 3.47Å
681I94.8Very high92.5Very high2 Ų232.7 Ų32.71%0.0118%0.178CC..Hα-helixtrans-58.6-52.5175.3-70.5165.9000109.8L653 P657 L662 E677 T678 S683 N684 I685 F878L653-I681 HydrophobicContact CD1-CG2 4.17Å; P657-I681 VanDerWaalsContact CD-CG1 3.5Å; P657-I681 HydrophobicContact CG-CG1 4.18Å; L662-I681 HydrophobicContact CD1-CD1 3.7Å; L662-I681 HydrophobicContact CD2-CD1 3.83Å; L662-I681 HydrophobicContact CG-CD1 4.4Å; E677-I681 WeakPolarHBondContact O-CG1 3.34Å; E677-I681 PolarHBondContact O-N 3.45Å; T678-I681 PolarHBondContact O-N 3.24Å; I681-S683 VanDerWaalsContact C-N 3.33Å; I681-S683 PolarHBondContact O-N 2.94Å; I681-N684 PolarHBondContact O-N 2.81Å; I681-I685 HydrophobicContact CG2-CD1 3.63Å; I681-I685 HydrophobicContact CG2-CG1 4.41Å; I681-I685 WeakPolarHBondContact O-CG1 3.39Å; I681-I685 PolarHBondContact O-N 2.9Å; I681-F878 HydrophobicContact CB-CE2 4.44Å; I681-F878 HydrophobicContact CG1-CD2 4.26Å; I681-F878 HydrophobicContact CG1-CE2 4.09Å; I681-F878 HydrophobicContact CG2-CE2 4.25Å
682L94.9Very high92.5Very high1 Ų130.9 Ų30.91%0.00517%0.165CC..Hα-helixtrans-62.3-40-179.6-70.2178.5000112.4T678 N684 I685 C686 C695 W710 L719 F763 V785T678-L682 WeakPolarHBondContact O-CG 3.34Å; T678-L682 PolarHBondContact O-N 2.74Å; L682-N684 VanDerWaalsContact C-N 3.34Å; L682-N684 PolarHBondContact O-N 3.35Å; L682-I685 PolarHBondContact O-N 2.84Å; L682-C686 VanDerWaalsContact O-CB 3.31Å; L682-C686 WeakPolarHBondContact O-CB 3.33Å; L682-C686 PolarHBondContact O-N 3.33Å; L682-C686 PolarHBondContact O-SG 2.86Å; L682-C695 HydrophobicContact CD2-CB 4.33Å; L682-W710 HydrophobicContact CD1-CH2 3.33Å; L682-W710 HydrophobicContact CD1-CZ2 4.2Å; L682-W710 HydrophobicContact CD1-CZ3 3.79Å; L682-L719 HydrophobicContact CB-CD2 4.17Å; L682-F763 HydrophobicContact CD1-CE1 4.09Å; L682-V785 HydrophobicContact CD2-CB 4.23Å; L682-V785 HydrophobicContact CD2-CG1 3.97Å; L682-V785 HydrophobicContact CD2-CG2 4.14Å
683S93.4Very high92.7Very high19 Ų1927.1 Ų27.113%0.13314%0.141CC..Hα-helixtrans-60.9-43.9177.9-60.60000111.5G679 R680 I681 C686 N687G679-S683 WeakPolarHBondContact O-CB 3.41Å; G679-S683 PolarHBondContact O-N 2.86Å; G679-S683 PolarHBondContact O-OG 2.97Å; R680-S683 PolarHBondContact O-N 2.84Å; I681-S683 VanDerWaalsContact C-N 3.33Å; I681-S683 PolarHBondContact O-N 2.94Å; S683-C686 PolarHBondContact O-N 3.16Å; S683-N687 PolarHBondContact O-N 3.23Å; S683-N687 PolarHBondContact O-ND2 2.89Å
684N93.3Very high92.9Very high50 Ų5020.8 Ų20.827%0.26711%0.111SC..Hα-helixtrans-67.2-44.7177.1-76.8-62.2000112R680 I681 L682 C686 N687 F878 F882R680-N684 PolarHBondContact O-N 2.89Å; R680-N684 VanDerWaalsContact O-N 3.09Å; R680-N684 PolarHBondContact O-ND2 3.47Å; I681-N684 PolarHBondContact O-N 2.81Å; L682-N684 VanDerWaalsContact C-N 3.34Å; L682-N684 PolarHBondContact O-N 3.35Å; N684-C686 VanDerWaalsContact C-N 3.32Å; N684-C686 PolarHBondContact O-N 3.32Å; N684-N687 WeakPolarHBondContact O-CB 3.36Å; N684-N687 PolarHBondContact O-N 2.97Å; N684-F878 HydrophobicContact CB-CE1 4.1Å; N684-F878 HydrophobicContact CB-CZ 3.69Å; N684-F882 HydrophobicContact CB-CD2 4.27Å; N684-F882 HydrophobicContact CB-CE2 3.84Å; N684-F882 HydrophobicContact CB-CZ 4.31Å; N684-F882 WeakPolarHBondContact O-CE2 3.37Å
685I93.6Very high93Very high3 Ų320.7 Ų20.72%0.01511%0.111CC..Hα-helixtrans-59.6-44.9176.7-68.3172.7000110.4I681 L682 N687 V688 V689 V785 V849 L885I681-I685 HydrophobicContact CG2-CD1 3.63Å; I681-I685 HydrophobicContact CG2-CG1 4.41Å; I681-I685 WeakPolarHBondContact O-CG1 3.39Å; I681-I685 PolarHBondContact O-N 2.9Å; L682-I685 PolarHBondContact O-N 2.84Å; I685-N687 PolarHBondContact O-N 2.78Å; I685-V688 PolarHBondContact O-N 2.82Å; I685-V689 HydrophobicContact CG2-CG2 3.59Å; I685-V689 WeakPolarHBondContact O-CG2 3.43Å; I685-V689 PolarHBondContact O-N 2.86Å; I685-V785 HydrophobicContact CD1-CG2 4Å; I685-V785 HydrophobicContact CG2-CG2 4.42Å; I685-V849 HydrophobicContact CD1-CG1 4.21Å; I685-V849 HydrophobicContact CD1-CG2 4.31Å; I685-L885 HydrophobicContact CB-CD2 4.48Å; I685-L885 HydrophobicContact CG1-CD2 3.99Å; I685-L885 HydrophobicContact CG2-CD2 4.33Å
686C92.2Very high93.1Very high1 Ų120 Ų201%0.00711%0.108CC..Hα-helixtrans-64.3-22.2-179.9-69.10000113.7L682 S683 N684 V688 L719 K723L682-C686 VanDerWaalsContact O-CB 3.31Å; L682-C686 WeakPolarHBondContact O-CB 3.33Å; L682-C686 PolarHBondContact O-N 3.33Å; L682-C686 PolarHBondContact O-SG 2.86Å; S683-C686 PolarHBondContact O-N 3.16Å; N684-C686 VanDerWaalsContact C-N 3.32Å; N684-C686 PolarHBondContact O-N 3.32Å; C686-V688 VanDerWaalsContact C-N 3.34Å; C686-L719 HydrophobicContact CB-CD2 4.37Å; C686-K723 HydrophobicContact CB-CD 3.93Å; C686-K723 HydrophobicContact CB-CG 4.2Å; C686-K723 WeakPolarHBondContact O-CE 3.34Å
687N89.9Confident93.2Very high90 Ų9017.9 Ų17.948%0.48110%0.096SC..Hα-helixtrans-74.6-23.7174.9-73.5-35.3000113.4S683 N684 I685 K722S683-N687 PolarHBondContact O-N 3.23Å; S683-N687 PolarHBondContact O-ND2 2.89Å; N684-N687 WeakPolarHBondContact O-CB 3.36Å; N684-N687 PolarHBondContact O-N 2.97Å; I685-N687 PolarHBondContact O-N 2.78Å; N687-K722 WeakPolarHBondContact OD1-CE 3.32Å; N687-K722 WeakPolarHBondContact OD1-CG 3.28Å
688V90.8Very high93.1Very high35 Ų3519.1 Ų19.121%0.21210%0.104CC..Hα-helixtrans-107.7-38.5-172.5174.20000112.1I685 C686 P690 F882 R886 F889I685-V688 PolarHBondContact O-N 2.82Å; C686-V688 VanDerWaalsContact C-N 3.34Å; V688-P690 WeakPolarHBondContact O-CD 3.27Å; V688-F882 HydrophobicContact CB-CE2 4.42Å; V688-F882 HydrophobicContact CG2-CE1 4.38Å; V688-F882 HydrophobicContact CG2-CE2 3.55Å; V688-F882 HydrophobicContact CG2-CZ 3.38Å; V688-R886 HydrophobicContact CG1-CB 4.04Å; V688-R886 HydrophobicContact CG1-CG 4.3Å; V688-F889 HydrophobicContact CG1-CD2 4.21Å
689V91.3Very high92.9Very high2 Ų220.5 Ų20.51%0.01211%0.114CC..  trans-76.1123.1-174.4179.20000110.3I685 V693 K723 R782 C783 L885 F889I685-V689 HydrophobicContact CG2-CG2 3.59Å; I685-V689 WeakPolarHBondContact O-CG2 3.43Å; I685-V689 PolarHBondContact O-N 2.86Å; V689-V693 HydrophobicContact CB-CG2 3.97Å; V689-V693 HydrophobicContact CG1-CG2 3.79Å; V689-K723 WeakPolarHBondContact O-CE 3.44Å; V689-K723 PolarHBondContact O-NZ 2.94Å; V689-R782 HydrophobicContact CG1-CB 3.86Å; V689-C783 HydrophobicContact CB-CB 4.24Å; V689-C783 HydrophobicContact CG1-CB 3.62Å; V689-C783 HydrophobicContact CG2-CB 3.67Å; V689-L885 HydrophobicContact CG2-CD2 4.41Å; V689-F889 HydrophobicContact CB-CE2 4.36Å; V689-F889 HydrophobicContact CB-CZ 4.45Å; V689-F889 HydrophobicContact CG1-CE1 4.39Å; V689-F889 HydrophobicContact CG1-CE2 4.39Å; V689-F889 HydrophobicContact CG1-CZ 3.99Å; V689-F889 HydrophobicContact CG2-CD2 4.25Å; V689-F889 HydrophobicContact CG2-CE2 3.63Å; V689-F889 HydrophobicContact CG2-CZ 4.03Å
690P88.2Confident92.7Very high54 Ų5424.7 Ų24.735%0.35113%0.13SC..  trans-75.3151.6171.731.9-34000111.6V688 R782 F889V688-P690 WeakPolarHBondContact O-CD 3.27Å; P690-R782 WeakPolarHBondContact O-CB 3.33Å; P690-R782 WeakPolarHBondContact O-CG 3.37Å; P690-F889 HydrophobicContact CG-CD1 4Å; P690-F889 HydrophobicContact CG-CE1 4.44Å
691G89.9Confident92.5Very high10 Ų1024.2 Ų24.210%0.10313%0.132CC..SBendtrans69.2-136.517400000113.6K723 T758 A760G691-K723 PolarHBondContact O-NZ 2.91Å; G691-T758 PolarHBondContact N-O 2.81Å; G691-T758 VanDerWaalsContact N-O 3.14Å; G691-A760 PolarHBondContact O-N 2.63Å
692G92.9Very high92.4Very high0 Ų024.2 Ų24.20%013%0.132CC..  trans-83.8130.7-172.800000114.9I746 A760 D779 R782 C783G692-I746 VanDerWaalsContact CA-CD1 3.5Å; G692-A760 WeakPolarHBondContact CA-O 3.39Å; G692-D779 WeakPolarHBondContact CA-O 3.39Å; G692-D779 PolarHBondContact N-O 2.81Å; G692-R782 PolarHBondContact O-N 2.98Å; G692-R782 VanDerWaalsContact O-N 3.08Å; G692-C783 PolarHBondContact O-N 3.15Å
693V94.8Very high92.3Very high0 Ų024.8 Ų24.80%014%0.137CC..EExtended strand (participates in β ladder)trans-113126.9168.3179.40000108.8V689 K723 A760 I761 L762 C783 V785V689-V693 HydrophobicContact CB-CG2 3.97Å; V689-V693 HydrophobicContact CG1-CG2 3.79Å; V693-K723 HydrophobicContact CB-CD 4.48Å; V693-K723 HydrophobicContact CG2-CD 3.94Å; V693-A760 PolarHBondContact N-O 2.82Å; V693-I761 HydrophobicContact CB-CB 4.44Å; V693-I761 HydrophobicContact CB-CG1 4.21Å; V693-I761 HydrophobicContact CG1-CD1 4.27Å; V693-I761 HydrophobicContact CG1-CG1 4.27Å; V693-I761 CarbonylContact O-C 3.5Å; V693-I761 VanDerWaalsContact O-CA 3.28Å; V693-I761 WeakPolarHBondContact O-CA 3.18Å; V693-L762 PolarHBondContact O-N 2.98Å; V693-C783 WeakPolarHBondContact CA-O 3.45Å; V693-C783 HydrophobicContact CG2-CB 4.36Å; V693-V785 HydrophobicContact CG1-CG2 4.16Å
694V94.6Very high92.2Very high0 Ų030.7 Ų30.70%016%0.156CC..EExtended strand (participates in β ladder)trans-110.7119.2176.1-174.60000108.7F696 L762 F776 C783 V784 V785V694-F696 HydrophobicContact CB-CE2 4.41Å; V694-F696 HydrophobicContact CG1-CD2 4.19Å; V694-F696 HydrophobicContact CG1-CE1 4.27Å; V694-F696 HydrophobicContact CG1-CE2 3.59Å; V694-F696 HydrophobicContact CG1-CZ 3.63Å; V694-L762 HydrophobicContact CG1-CD2 4.4Å; V694-F776 HydrophobicContact CG1-CE2 4.13Å; V694-F776 HydrophobicContact CG1-CZ 4.15Å; V694-F776 HydrophobicContact CG2-CD1 3.94Å; V694-F776 HydrophobicContact CG2-CD2 4.28Å; V694-F776 HydrophobicContact CG2-CE1 4.07Å; V694-F776 HydrophobicContact CG2-CE2 4.41Å; V694-F776 HydrophobicContact CG2-CG 4.06Å; V694-F776 HydrophobicContact CG2-CZ 4.3Å; V694-C783 PolarHBondContact N-O 3.42Å; V694-V784 HydrophobicContact CB-CG2 4.48Å; V694-V784 CarbonylContact O-C 3.56Å; V694-V784 WeakPolarHBondContact O-CA 3.42Å; V694-V785 PolarHBondContact O-N 3.01Å
695C95.7Very high92.2Very high0 Ų033.6 Ų33.60%016%0.163CC..EExtended strand (participates in β ladder)trans-112.3116.7-178.3176.30000109.8L682 L762 F763 S764 V785L682-C695 HydrophobicContact CD2-CB 4.33Å; C695-L762 PolarHBondContact N-O 3.11Å; C695-F763 HydrophobicContact CB-CD1 3.93Å; C695-F763 HydrophobicContact CB-CE1 4.25Å; C695-S764 PolarHBondContact O-N 3.08Å; C695-V785 CarbonylContact C-O 3.59Å; C695-V785 WeakPolarHBondContact CA-O 3.31Å; C695-V785 HydrophobicContact CB-CB 4.38Å
696F95.6Very high92.2Very high0 Ų033.4 Ų33.40%016%0.162CC..EExtended strand (participates in β ladder)trans-97.2126.2-179.9-70.6-74.9000111.4V694 S764 V766 F776 V784 V785 M786 V787V694-F696 HydrophobicContact CB-CE2 4.41Å; V694-F696 HydrophobicContact CG1-CD2 4.19Å; V694-F696 HydrophobicContact CG1-CE1 4.27Å; V694-F696 HydrophobicContact CG1-CE2 3.59Å; V694-F696 HydrophobicContact CG1-CZ 3.63Å; F696-S764 CarbonylContact C-O 3.55Å; F696-S764 WeakPolarHBondContact CA-O 3.39Å; F696-V766 HydrophobicContact CB-CG2 3.74Å; F696-V766 HydrophobicContact CD1-CG2 4.48Å; F696-V766 HydrophobicContact CG-CG2 4.39Å; F696-F776 HydrophobicContact CZ-CE2 4.13Å; F696-V784 HydrophobicContact CD2-CG1 3.68Å; F696-V784 HydrophobicContact CE2-CG1 3.68Å; F696-V785 PolarHBondContact N-O 3.46Å; F696-M786 HydrophobicContact CB-CE 3.62Å; F696-M786 HydrophobicContact CB-SD 3.74Å; F696-M786 HydrophobicContact CD2-CE 3.94Å; F696-M786 HydrophobicContact CG-CE 3.97Å; F696-V787 PolarHBondContact O-N 3.38Å
697F94.6Very high92.2Very high0 Ų033.7 Ų33.70%016%0.163CC..EExtended strand (participates in β ladder)trans-102.1154.4172.6-65.3-73.3000111.2S699 Y702 I706 W710 F763 S764 V765 V766 V787F697-S699 VanDerWaalsContact C-N 3.34Å; F697-S699 PolarHBondContact O-N 3.35Å; F697-Y702 HydrophobicContact CD1-CD1 4.17Å; F697-Y702 HydrophobicContact CD1-CE1 4.26Å; F697-I706 HydrophobicContact CD1-CG2 4.32Å; F697-I706 HydrophobicContact CE1-CD1 4.13Å; F697-I706 HydrophobicContact CE1-CG2 3.8Å; F697-I706 HydrophobicContact CZ-CG2 4Å; F697-W710 HydrophobicContact CE1-CH2 4.23Å; F697-W710 AromaticContact CZ-CH2 3.88Å; F697-W710 HydrophobicContact CZ-CH2 3.88Å; F697-W710 HydrophobicContact CZ-CZ3 4.03Å; F697-F763 HydrophobicContact CD2-CB 4.49Å; F697-F763 HydrophobicContact CE2-CB 3.95Å; F697-F763 AromaticContact CE2-CD1 3.6Å; F697-F763 HydrophobicContact CE2-CD1 3.6Å; F697-F763 HydrophobicContact CE2-CE1 4.34Å; F697-F763 AromaticContact CE2-CG 3.91Å; F697-F763 HydrophobicContact CE2-CG 3.91Å; F697-F763 HydrophobicContact CZ-CD1 4.09Å; F697-F763 HydrophobicContact CZ-CE1 4.39Å; F697-S764 PolarHBondContact N-O 2.76Å; F697-V765 WeakPolarHBondContact O-CA 3.47Å; F697-V766 PolarHBondContact O-N 2.85Å; F697-V787 HydrophobicContact CD1-CB 4Å; F697-V787 HydrophobicContact CD1-CG1 4.16Å; F697-V787 HydrophobicContact CD1-CG2 4.23Å; F697-V787 HydrophobicContact CE1-CB 4.24Å; F697-V787 HydrophobicContact CE1-CG1 4.27Å; F697-V787 HydrophobicContact CE1-CG2 4.01Å
698P91.9Very high92.4Very high27 Ų2732.7 Ų32.718%0.17516%0.164CC..SBendtrans-73.2-22.3-176.828.9-35.4000113.6Y702 V787 P790P698-Y702 HydrophobicContact CG-CD1 3.96Å; P698-Y702 HydrophobicContact CG-CG 4.46Å; P698-V787 WeakPolarHBondContact CD-O 3.47Å; P698-P790 HydrophobicContact CB-CB 4.34Å
699S90.7Very high92.6Very high32 Ų3233.5 Ų33.522%0.22417%0.165CC..  trans-155.9155.8176.7770000113.1F697 E701 Y702 S703F697-S699 VanDerWaalsContact C-N 3.34Å; F697-S699 PolarHBondContact O-N 3.35Å; S699-E701 VanDerWaalsContact C-N 3.26Å; S699-E701 PolarHBondContact O-N 2.99Å; S699-Y702 PolarHBondContact O-N 3.3Å; S699-Y702 WeakPolarHBondContact OG-CB 3.49Å; S699-Y702 PolarHBondContact OG-N 3.29Å; S699-Y702 VanDerWaalsContact OG-N 3.11Å; S699-S703 WeakPolarHBondContact O-CB 3.49Å; S699-S703 PolarHBondContact O-N 3.23Å
700Y90.1Very high92.7Very high88 Ų8833.4 Ų33.435%0.34516%0.164SC..Hα-helixtrans-63-30.5174-70.8-75.7000113.1R704 E728 V765 G768Y700-R704 WeakPolarHBondContact O-CG 3.32Å; Y700-R704 PolarHBondContact O-N 3Å; Y700-R704 VanDerWaalsContact O-N 3.16Å; Y700-R704 PolarHBondContact O-NE 2.92Å; Y700-E728 HydrophobicContact CE1-CG 4.13Å; Y700-E728 PolarHBondContact OH-OE1 2.87Å; Y700-V765 HydrophobicContact CD1-CB 4.18Å; Y700-V765 HydrophobicContact CD1-CG2 3.5Å; Y700-V765 VanDerWaalsContact CD1-CG2 3.5Å; Y700-V765 HydrophobicContact CD2-CB 4.39Å; Y700-V765 HydrophobicContact CD2-CG1 4.09Å; Y700-V765 HydrophobicContact CD2-CG2 4.35Å; Y700-V765 HydrophobicContact CE1-CB 3.98Å; Y700-V765 HydrophobicContact CE1-CG2 3.71Å; Y700-V765 HydrophobicContact CE2-CB 4.23Å; Y700-V765 HydrophobicContact CE2-CG1 4.15Å; Y700-V765 HydrophobicContact CG-CB 4.36Å; Y700-V765 HydrophobicContact CG-CG1 4.35Å; Y700-V765 HydrophobicContact CG-CG2 3.84Å; Y700-G768 VanDerWaalsContact OH-CA 3.27Å; Y700-G768 WeakPolarHBondContact OH-CA 3.43Å
701E90.1Very high93Very high94 Ų9436 Ų3644%0.43917%0.172SC..Hα-helixtrans-68.8-47.3176.2-173.3179-174.300110.8S699 R704 R705S699-E701 VanDerWaalsContact C-N 3.26Å; S699-E701 PolarHBondContact O-N 2.99Å; E701-R704 PolarHBondContact O-N 3.28Å; E701-R705 WeakPolarHBondContact O-CG 3.49Å; E701-R705 PolarHBondContact O-N 3.46Å; E701-R705 VanDerWaalsContact O-N 3.1Å; E701-R705 IonicContact OE1-CZ 2.55Å; E701-R705 IonicContact OE1-NE 3.7Å; E701-R705 IonicContact OE1-NH2 3.18Å; E701-R705 PolarHBondContact OE1-NH2 2.97Å
702Y91.7Very high93.1Very high3 Ų340 Ų401%0.01220%0.203CC..Hα-helixtrans-64.7-43178.3-174-111.6000111.8R669 M675 F697 P698 S699 R704 R705 I706 V787R669-Y702 HydrophobicContact CB-CE2 3.83Å; R669-Y702 HydrophobicContact CG-CD2 4.18Å; R669-Y702 HydrophobicContact CG-CE2 3.87Å; R669-Y702 VanDerWaalsContact O-CE2 3.23Å; R669-Y702 WeakPolarHBondContact O-CE2 3.36Å; R669-Y702 PolarHBondContact O-OH 3.21Å; M675-Y702 HydrophobicContact CE-CE2 4.41Å; F697-Y702 HydrophobicContact CD1-CD1 4.17Å; F697-Y702 HydrophobicContact CD1-CE1 4.26Å; P698-Y702 HydrophobicContact CG-CD1 3.96Å; P698-Y702 HydrophobicContact CG-CG 4.46Å; S699-Y702 PolarHBondContact O-N 3.3Å; S699-Y702 WeakPolarHBondContact OG-CB 3.49Å; S699-Y702 PolarHBondContact OG-N 3.29Å; S699-Y702 VanDerWaalsContact OG-N 3.11Å; Y702-R704 VanDerWaalsContact C-N 3.31Å; Y702-R704 PolarHBondContact O-N 3.08Å; Y702-R705 PolarHBondContact O-N 3.41Å; Y702-I706 HydrophobicContact CE1-CD1 4.2Å; Y702-I706 WeakPolarHBondContact O-CG2 3.38Å; Y702-I706 PolarHBondContact O-N 3.46Å; Y702-V787 HydrophobicContact CE1-CG1 4.45Å
703S92.4Very high93Very high13 Ų1342.4 Ų42.49%0.09122%0.221CC..Hα-helixtrans-57.2-42.3175.6176.10000112.2S699 I706 I707S699-S703 WeakPolarHBondContact O-CB 3.49Å; S699-S703 PolarHBondContact O-N 3.23Å; S703-I706 WeakPolarHBondContact O-CG2 3.39Å; S703-I707 WeakPolarHBondContact O-CB 3.44Å; S703-I707 VanDerWaalsContact O-CD1 3.32Å; S703-I707 WeakPolarHBondContact O-CD1 3.41Å; S703-I707 WeakPolarHBondContact O-CG1 3.47Å; S703-I707 PolarHBondContact O-N 3.32Å; S703-I707 VanDerWaalsContact O-N 3.1Å
704R92.1Very high92.9Very high142 Ų14243.5 Ų43.554%0.53623%0.232SC..Hα-helixtrans-64-47.7175.3-77.4-174.9-71.3166.3-2.3112.1Y700 E701 Y702 I706 I707 S708Y700-R704 WeakPolarHBondContact O-CG 3.32Å; Y700-R704 PolarHBondContact O-N 3Å; Y700-R704 VanDerWaalsContact O-N 3.16Å; Y700-R704 PolarHBondContact O-NE 2.92Å; E701-R704 PolarHBondContact O-N 3.28Å; Y702-R704 VanDerWaalsContact C-N 3.31Å; Y702-R704 PolarHBondContact O-N 3.08Å; R704-I706 PolarHBondContact O-N 2.92Å; R704-I707 PolarHBondContact O-N 3.04Å; R704-S708 PolarHBondContact O-N 3.42Å; R704-S708 PolarHBondContact O-OG 2.88Å; R704-S708 VanDerWaalsContact O-OG 3.13Å
705R92.5Very high92.7Very high111 Ų11143.6 Ų43.642%0.41923%0.233SC..Hα-helixtrans-59.7-47.3-178.9-69.5178.4-175.5-159.9-3.9111.9D670 M675 E701 Y702 S708 H709D670-R705 IonicContact OD1-NH1 3.87Å; D670-R705 IonicContact OD2-NH1 3.75Å; D670-R705 PolarHBondContact OD2-NH1 3.13Å; M675-R705 HydrophobicContact CE-CB 4.43Å; E701-R705 WeakPolarHBondContact O-CG 3.49Å; E701-R705 PolarHBondContact O-N 3.46Å; E701-R705 VanDerWaalsContact O-N 3.1Å; E701-R705 IonicContact OE1-CZ 2.55Å; E701-R705 IonicContact OE1-NE 3.7Å; E701-R705 IonicContact OE1-NH2 3.18Å; E701-R705 PolarHBondContact OE1-NH2 2.97Å; Y702-R705 PolarHBondContact O-N 3.41Å; R705-S708 PolarHBondContact O-N 3.03Å; R705-H709 PolarHBondContact O-N 3.27Å
706I93.8Very high92.5Very high0 Ų045 Ų450%024%0.24CC..Hα-helixtrans-68.1-37.8-178.5-159.6171.9000112M675 T678 F697 Y702 S703 R704 H709 W710M675-I706 HydrophobicContact CB-CD1 4.44Å; M675-I706 HydrophobicContact CB-CG1 4.01Å; M675-I706 HydrophobicContact CG-CD1 4.41Å; M675-I706 HydrophobicContact CG-CG1 3.97Å; M675-I706 HydrophobicContact SD-CB 4.45Å; M675-I706 HydrophobicContact SD-CG1 4.31Å; T678-I706 HydrophobicContact CG2-CD1 4Å; F697-I706 HydrophobicContact CD1-CG2 4.32Å; F697-I706 HydrophobicContact CE1-CD1 4.13Å; F697-I706 HydrophobicContact CE1-CG2 3.8Å; F697-I706 HydrophobicContact CZ-CG2 4Å; Y702-I706 HydrophobicContact CE1-CD1 4.2Å; Y702-I706 WeakPolarHBondContact O-CG2 3.38Å; Y702-I706 PolarHBondContact O-N 3.46Å; S703-I706 WeakPolarHBondContact O-CG2 3.39Å; R704-I706 PolarHBondContact O-N 2.92Å; I706-H709 PolarHBondContact O-N 2.86Å; I706-W710 HydrophobicContact CD1-CH2 3.84Å; I706-W710 HydrophobicContact CD1-CZ2 3.38Å; I706-W710 HydrophobicContact CG1-CD2 4.21Å; I706-W710 HydrophobicContact CG1-CH2 4.11Å; I706-W710 HydrophobicContact CG1-CZ2 3.59Å; I706-W710 WeakPolarHBondContact O-CB 3.45Å; I706-W710 VanDerWaalsContact O-CG 3.27Å; I706-W710 PolarHBondContact O-N 3.43Å
707I93.1Very high92.2Very high6 Ų650.5 Ų50.53%0.03127%0.268CS..Hα-helixtrans-66.5-45.5176.8-69.5168.4000110.6S703 R704 H709 W710 E711 Q727 F763S703-I707 WeakPolarHBondContact O-CB 3.44Å; S703-I707 VanDerWaalsContact O-CD1 3.32Å; S703-I707 WeakPolarHBondContact O-CD1 3.41Å; S703-I707 WeakPolarHBondContact O-CG1 3.47Å; S703-I707 PolarHBondContact O-N 3.32Å; S703-I707 VanDerWaalsContact O-N 3.1Å; R704-I707 PolarHBondContact O-N 3.04Å; I707-H709 VanDerWaalsContact C-N 3.28Å; I707-H709 PolarHBondContact O-N 3.38Å; I707-W710 CarbonylContact O-C 3.53Å; I707-W710 PolarHBondContact O-N 2.96Å; I707-W710 VanDerWaalsContact O-N 3.07Å; I707-E711 WeakPolarHBondContact O-CG 3.28Å; I707-E711 PolarHBondContact O-N 2.73Å; I707-Q727 HydrophobicContact CD1-CG 4.36Å; I707-F763 HydrophobicContact CD1-CB 4.44Å; I707-F763 HydrophobicContact CD1-CD2 3.86Å; I707-F763 HydrophobicContact CD1-CG 4.39Å; I707-F763 HydrophobicContact CG1-CD2 4.25Å; I707-F763 HydrophobicContact CG1-CE2 4.47Å
708S93.9Very high92Very high70 Ų7056.8 Ų56.849%0.4929%0.292SS..Hα-helixtrans-60.6-37.9176-630000112.4R704 R705 E711 A712R704-S708 PolarHBondContact O-N 3.42Å; R704-S708 PolarHBondContact O-OG 2.88Å; R704-S708 VanDerWaalsContact O-OG 3.13Å; R705-S708 PolarHBondContact O-N 3.03Å; S708-E711 PolarHBondContact O-N 3.18Å; S708-A712 PolarHBondContact O-N 3.15Å; S708-A712 VanDerWaalsContact O-N 3.12Å
709H94.1Very high91.9Very high51 Ų5155.6 Ų55.624%0.23628%0.284CS..Hα-helixtrans-65.5-39.1173-177.575.7000112.3M675 D676 R705 I706 I707 A712 S713M675-H709 HydrophobicContact SD-CB 3.73Å; D676-H709 IonicContact OD1-CD2 2.66Å; D676-H709 PolarHBondContact OD1-CD2 3.39Å; D676-H709 IonicContact OD1-CE1 3.86Å; D676-H709 IonicContact OD1-NE2 2.75Å; D676-H709 PolarHBondContact OD1-NE2 3.04Å; D676-H709 IonicContact OD2-NE2 3.95Å; R705-H709 PolarHBondContact O-N 3.27Å; I706-H709 PolarHBondContact O-N 2.86Å; I707-H709 VanDerWaalsContact C-N 3.28Å; I707-H709 PolarHBondContact O-N 3.38Å; H709-A712 PolarHBondContact O-N 3.1Å; H709-S713 WeakPolarHBondContact O-CB 3.44Å; H709-S713 PolarHBondContact O-N 3.44Å; H709-S713 PolarHBondContact O-OG 3.05Å
710W95Very high91.7Very high0 Ų055.5 Ų55.50%029%0.288CS..Hα-helixtrans-70.7-28.8176.3-71.3-11.7000114.5M675 T678 L682 F697 I706 I707 S713 G714 V715 L716 F763M675-W710 PolarHBondContact O-NE1 2.81Å; T678-W710 HydrophobicContact CG2-CH2 4.04Å; T678-W710 HydrophobicContact CG2-CZ2 3.77Å; L682-W710 HydrophobicContact CD1-CH2 3.33Å; L682-W710 HydrophobicContact CD1-CZ2 4.2Å; L682-W710 HydrophobicContact CD1-CZ3 3.79Å; F697-W710 HydrophobicContact CE1-CH2 4.23Å; F697-W710 AromaticContact CZ-CH2 3.88Å; F697-W710 HydrophobicContact CZ-CH2 3.88Å; F697-W710 HydrophobicContact CZ-CZ3 4.03Å; I706-W710 HydrophobicContact CD1-CH2 3.84Å; I706-W710 HydrophobicContact CD1-CZ2 3.38Å; I706-W710 HydrophobicContact CG1-CD2 4.21Å; I706-W710 HydrophobicContact CG1-CH2 4.11Å; I706-W710 HydrophobicContact CG1-CZ2 3.59Å; I706-W710 WeakPolarHBondContact O-CB 3.45Å; I706-W710 VanDerWaalsContact O-CG 3.27Å; I706-W710 PolarHBondContact O-N 3.43Å; I707-W710 CarbonylContact O-C 3.53Å; I707-W710 PolarHBondContact O-N 2.96Å; I707-W710 VanDerWaalsContact O-N 3.07Å; W710-S713 WeakPolarHBondContact CA-OG 3.36Å; W710-G714 PolarHBondContact O-N 3.42Å; W710-V715 HydrophobicContact CB-CB 3.91Å; W710-V715 HydrophobicContact CB-CG1 4.27Å; W710-V715 HydrophobicContact CD2-CG1 4.17Å; W710-V715 HydrophobicContact CG-CB 3.89Å; W710-V715 HydrophobicContact CG-CG1 3.87Å; W710-V715 HydrophobicContact CG-CG2 4.47Å; W710-V715 PolarHBondContact O-N 3.04Å; W710-L716 HydrophobicContact CB-CB 4.35Å; W710-L716 PolarHBondContact O-N 3.22Å; W710-L716 VanDerWaalsContact O-N 3.08Å; W710-F763 HydrophobicContact CE3-CZ 4.3Å; W710-F763 HydrophobicContact CZ3-CE1 4.05Å; W710-F763 HydrophobicContact CZ3-CE2 4.42Å; W710-F763 AromaticContact CZ3-CZ 3.78Å; W710-F763 HydrophobicContact CZ3-CZ 3.78Å
711E93.2Very high91.6Very high110 Ų11056.4 Ų56.451%0.51430%0.299SS..Hα-helixtrans-65.6-49.2169.4-74.2173.6176.700110.1I707 S708 S713 G714 L716I707-E711 WeakPolarHBondContact O-CG 3.28Å; I707-E711 PolarHBondContact O-N 2.73Å; S708-E711 PolarHBondContact O-N 3.18Å; E711-S713 PolarHBondContact O-N 3.31Å; E711-G714 PolarHBondContact O-N 3.44Å; E711-L716 HydrophobicContact CG-CB 4.47Å; E711-L716 HydrophobicContact CG-CD2 3.52Å
712A92.6Very high91.5Very high92 Ų9256.1 Ų56.176%0.7630%0.296SS*.Hα-helixtrans-65.5-38.4179.800000113.4S708 H709S708-A712 PolarHBondContact O-N 3.15Å; S708-A712 VanDerWaalsContact O-N 3.12Å; H709-A712 PolarHBondContact O-N 3.1Å
713S91.4Very high91.5Very high52 Ų5256 Ų5636%0.36430%0.296SS..THydrogen-bonded Turntrans-84.6-3.4-179.657.40000114.4H709 W710 E711 V715H709-S713 WeakPolarHBondContact O-CB 3.44Å; H709-S713 PolarHBondContact O-N 3.44Å; H709-S713 PolarHBondContact O-OG 3.05Å; W710-S713 WeakPolarHBondContact CA-OG 3.36Å; E711-S713 PolarHBondContact O-N 3.31Å; S713-V715 PolarHBondContact O-N 3.17Å; S713-V715 WeakPolarHBondContact OG-CG2 3.49Å
714G91.3Very high91.5Very high23 Ų2360.6 Ų60.624%0.23731%0.314CS..THydrogen-bonded Turntrans71.87.2-178.300000115W710 E711 L716 I717 R718W710-G714 PolarHBondContact O-N 3.42Å; E711-G714 PolarHBondContact O-N 3.44Å; G714-L716 VanDerWaalsContact C-N 3.26Å; G714-L716 PolarHBondContact O-N 2.96Å; G714-I717 PolarHBondContact O-N 3.48Å; G714-R718 PolarHBondContact O-N 2.99Å
715V91.4Very high91.5Very high2 Ų255.9 Ų55.91%0.01230%0.299CS..Hα-helixtrans-59.3-40.61731740000110.6W710 S713 I717 R718 L719W710-V715 HydrophobicContact CB-CB 3.91Å; W710-V715 HydrophobicContact CB-CG1 4.27Å; W710-V715 HydrophobicContact CD2-CG1 4.17Å; W710-V715 HydrophobicContact CG-CB 3.89Å; W710-V715 HydrophobicContact CG-CG1 3.87Å; W710-V715 HydrophobicContact CG-CG2 4.47Å; W710-V715 PolarHBondContact O-N 3.04Å; S713-V715 PolarHBondContact O-N 3.17Å; S713-V715 WeakPolarHBondContact OG-CG2 3.49Å; V715-I717 VanDerWaalsContact C-N 3.28Å; V715-I717 PolarHBondContact O-N 2.93Å; V715-R718 VanDerWaalsContact CG2-NH2 3.25Å; V715-R718 WeakPolarHBondContact O-CB 3.23Å; V715-R718 PolarHBondContact O-N 3.02Å; V715-R718 VanDerWaalsContact O-N 3.14Å; V715-L719 HydrophobicContact CG1-CD1 4.17Å; V715-L719 PolarHBondContact O-N 3.08Å
716L91.2Very high91.6Very high29 Ų2951.3 Ų51.315%0.15228%0.282CS..Hα-helixtrans-63.1-36.4-177-159.473.4000112W710 E711 G714 L719 G720 I725 F763W710-L716 HydrophobicContact CB-CB 4.35Å; W710-L716 PolarHBondContact O-N 3.22Å; W710-L716 VanDerWaalsContact O-N 3.08Å; E711-L716 HydrophobicContact CG-CB 4.47Å; E711-L716 HydrophobicContact CG-CD2 3.52Å; G714-L716 VanDerWaalsContact C-N 3.26Å; G714-L716 PolarHBondContact O-N 2.96Å; L716-L719 PolarHBondContact O-N 3.34Å; L716-G720 PolarHBondContact O-N 2.64Å; L716-I725 HydrophobicContact CD1-CD1 3.58Å; L716-I725 HydrophobicContact CD2-CD1 4.5Å; L716-I725 HydrophobicContact CG-CD1 3.64Å; L716-I725 WeakPolarHBondContact O-CD1 3.35Å; L716-F763 HydrophobicContact CD1-CE2 4.11Å
717I90.3Very high91.5Very high116 Ų11655.8 Ų55.860%0.59530%0.303SS*.Hα-helixtrans-64.5-44.5175.9-60.1171.7000110.2G714 V715 L719 G720 N721G714-I717 PolarHBondContact O-N 3.48Å; V715-I717 VanDerWaalsContact C-N 3.28Å; V715-I717 PolarHBondContact O-N 2.93Å; I717-L719 VanDerWaalsContact C-N 3.31Å; I717-L719 PolarHBondContact O-N 2.67Å; I717-G720 PolarHBondContact O-N 3.32Å; I717-G720 VanDerWaalsContact O-N 3.16Å; I717-N721 VanDerWaalsContact O-CG 3.3Å; I717-N721 PolarHBondContact O-N 2.91Å; I717-N721 PolarHBondContact O-OD1 3.28Å
718R88.6Confident91.2Very high131 Ų13156.4 Ų56.449%0.49431%0.306SS..Hα-helixtrans-61.4-39.1177.2-66.5-174-64.3-178.9-3.3112.4G714 V715G714-R718 PolarHBondContact O-N 2.99Å; V715-R718 VanDerWaalsContact CG2-NH2 3.25Å; V715-R718 WeakPolarHBondContact O-CB 3.23Å; V715-R718 PolarHBondContact O-N 3.02Å; V715-R718 VanDerWaalsContact O-N 3.14Å
719L89.8Confident90.8Very high2 Ų253.7 Ų53.71%0.0129%0.287CS..Hα-helixtrans-65.6-45.8173.5-72.3170.5000111.2L682 C686 V715 L716 I717 N721 K722 K723 I725 F763L682-L719 HydrophobicContact CB-CD2 4.17Å; C686-L719 HydrophobicContact CB-CD2 4.37Å; V715-L719 HydrophobicContact CG1-CD1 4.17Å; V715-L719 PolarHBondContact O-N 3.08Å; L716-L719 PolarHBondContact O-N 3.34Å; I717-L719 VanDerWaalsContact C-N 3.31Å; I717-L719 PolarHBondContact O-N 2.67Å; L719-N721 PolarHBondContact O-N 2.73Å; L719-K722 PolarHBondContact O-N 3.32Å; L719-K723 PolarHBondContact O-N 3.03Å; L719-K723 VanDerWaalsContact O-O 3.13Å; L719-I725 HydrophobicContact CB-CD1 4.12Å; L719-F763 HydrophobicContact CD1-CZ 4.36Å
720G88.3Confident90.1Very high30 Ų3058.7 Ų58.731%0.30931%0.308SS..Hα-helixtrans-57.2-32.6178.500000114.1L716 I717 K722 K723L716-G720 PolarHBondContact O-N 2.64Å; I717-G720 PolarHBondContact O-N 3.32Å; I717-G720 VanDerWaalsContact O-N 3.16Å; G720-K722 PolarHBondContact O-N 3.07Å; G720-K723 WeakPolarHBondContact CA-O 3.44Å
721N87.5Confident89.3Confident107 Ų10764.1 Ų64.157%0.57233%0.331SS*.THydrogen-bonded Turntrans-65.1-20.9176.1-68.8-16000113.8I717 L719I717-N721 VanDerWaalsContact O-CG 3.3Å; I717-N721 PolarHBondContact O-N 2.91Å; I717-N721 PolarHBondContact O-OD1 3.28Å; L719-N721 PolarHBondContact O-N 2.73Å
722K87.2Confident88.5Confident89 Ų8962.1 Ų62.139%0.38733%0.333SS..THydrogen-bonded Turntrans-114.3-36.3-176.8-66.7-65.4-174.1-173.10113.1N687 L719 G720 V757 T758N687-K722 WeakPolarHBondContact OD1-CE 3.32Å; N687-K722 WeakPolarHBondContact OD1-CG 3.28Å; L719-K722 PolarHBondContact O-N 3.32Å; G720-K722 PolarHBondContact O-N 3.07Å; K722-V757 WeakPolarHBondContact O-CA 3.45Å; K722-T758 PolarHBondContact O-N 3.17Å; K722-T758 PolarHBondContact O-OG1 3.28Å
723K91.3Very high87.9Confident0 Ų063.9 Ų63.90%033%0.33CS..SBendtrans-139.5136.4-179.4-66.2-165.6-175.8-69.90111C686 V689 G691 V693 L719 G720 I725 T758 G759 I761C686-K723 HydrophobicContact CB-CD 3.93Å; C686-K723 HydrophobicContact CB-CG 4.2Å; C686-K723 WeakPolarHBondContact O-CE 3.34Å; V689-K723 WeakPolarHBondContact O-CE 3.44Å; V689-K723 PolarHBondContact O-NZ 2.94Å; G691-K723 PolarHBondContact O-NZ 2.91Å; V693-K723 HydrophobicContact CB-CD 4.48Å; V693-K723 HydrophobicContact CG2-CD 3.94Å; L719-K723 PolarHBondContact O-N 3.03Å; L719-K723 VanDerWaalsContact O-O 3.13Å; G720-K723 WeakPolarHBondContact CA-O 3.44Å; K723-I725 PolarHBondContact O-N 3.33Å; K723-T758 PolarHBondContact NZ-OG1 3.41Å; K723-G759 VanDerWaalsContact CA-O 3.3Å; K723-G759 WeakPolarHBondContact CA-O 3.38Å; K723-I761 HydrophobicContact CB-CB 4.33Å; K723-I761 HydrophobicContact CB-CG2 4.19Å; K723-I761 HydrophobicContact CD-CB 4.45Å
724K92.3Very high87.5Confident110 Ų11065.1 Ų65.148%0.47833%0.33SS..EExtended strand (participates in β ladder)trans-67.8130.8172.2-172.8170.4-178174.40110F726 G759 A760 I761K724-F726 HydrophobicContact CB-CE2 4.04Å; K724-F726 HydrophobicContact CD-CE2 3.86Å; K724-F726 HydrophobicContact CD-CZ 3.75Å; K724-F726 HydrophobicContact CG-CD2 4.4Å; K724-F726 HydrophobicContact CG-CE2 3.72Å; K724-F726 HydrophobicContact CG-CZ 4.07Å; K724-G759 PolarHBondContact N-O 3.5Å; K724-A760 CarbonylContact O-C 3.58Å; K724-A760 VanDerWaalsContact O-CA 3.25Å; K724-A760 WeakPolarHBondContact O-CA 3.49Å; K724-I761 PolarHBondContact O-N 2.85Å
725I93.7Very high87.1Confident43 Ų4365 Ų6522%0.22132%0.324CS..EExtended strand (participates in β ladder)trans-91.9130.8-175.7-63.3153.3000110.1L716 L719 K723 I761 F763L716-I725 HydrophobicContact CD1-CD1 3.58Å; L716-I725 HydrophobicContact CD2-CD1 4.5Å; L716-I725 HydrophobicContact CG-CD1 3.64Å; L716-I725 WeakPolarHBondContact O-CD1 3.35Å; L719-I725 HydrophobicContact CB-CD1 4.12Å; K723-I725 PolarHBondContact O-N 3.33Å; I725-I761 HydrophobicContact CB-CG2 4.16Å; I725-I761 HydrophobicContact CG1-CG2 3.56Å; I725-F763 HydrophobicContact CG2-CD2 3.83Å; I725-F763 HydrophobicContact CG2-CE2 3.56Å; I725-F763 HydrophobicContact CG2-CZ 4.48Å
726F93.4Very high86.8Confident15 Ų1571.8 Ų71.87%0.06636%0.356CS..EExtended strand (participates in β ladder)trans-123.2147.8171.6-66.6-90.8000109.4K724 V738 E741 F742 C745 A760 I761 L762 F763K724-F726 HydrophobicContact CB-CE2 4.04Å; K724-F726 HydrophobicContact CD-CE2 3.86Å; K724-F726 HydrophobicContact CD-CZ 3.75Å; K724-F726 HydrophobicContact CG-CD2 4.4Å; K724-F726 HydrophobicContact CG-CE2 3.72Å; K724-F726 HydrophobicContact CG-CZ 4.07Å; F726-V738 HydrophobicContact CB-CG1 4.46Å; F726-V738 HydrophobicContact CD1-CG1 4.32Å; F726-E741 HydrophobicContact CE1-CB 3.83Å; F726-E741 HydrophobicContact CZ-CB 4.43Å; F726-F742 HydrophobicContact CD2-CB 4.4Å; F726-F742 AromaticContact CD2-CD2 3.73Å; F726-F742 HydrophobicContact CD2-CD2 3.73Å; F726-F742 HydrophobicContact CE2-CB 4.48Å; F726-F742 HydrophobicContact CE2-CD2 4.17Å; F726-F742 HydrophobicContact CG-CB 4.43Å; F726-F742 HydrophobicContact CG-CD2 4.25Å; F726-C745 HydrophobicContact CE2-CB 4.02Å; F726-C745 HydrophobicContact CZ-CB 4.01Å; F726-A760 HydrophobicContact CD2-CB 3.92Å; F726-A760 HydrophobicContact CE2-CB 3.73Å; F726-I761 PolarHBondContact N-O 3.45Å; F726-L762 HydrophobicContact CB-CD1 3.78Å; F726-L762 WeakPolarHBondContact O-CA 3.43Å; F726-F763 PolarHBondContact O-N 3.42Å
727Q91.4Very high86.6Confident93 Ų9375.8 Ų75.844%0.43537%0.374SS..EExtended strand (participates in β ladder)trans-124.5146.6178.2-63-176.922.700109.8I707 F763I707-Q727 HydrophobicContact CD1-CG 4.36Å; Q727-F763 HydrophobicContact CG-CB 4.47Å; Q727-F763 HydrophobicContact CG-CD2 4.2Å
728E88.3Confident86.5Confident20 Ų2071.4 Ų71.49%0.09335%0.353CS..  trans-61.9127.2174.7173.9166.9178.900111.6Y700 F763 S764 V765 K769 M770Y700-E728 HydrophobicContact CE1-CG 4.13Å; Y700-E728 PolarHBondContact OH-OE1 2.87Å; E728-F763 WeakPolarHBondContact CB-O 3.4Å; E728-F763 PolarHBondContact N-O 3.04Å; E728-S764 WeakPolarHBondContact OE2-CA 3.4Å; E728-V765 PolarHBondContact OE2-N 2.75Å; E728-K769 PolarHBondContact OE1-N 3Å; E728-M770 HydrophobicContact CB-CG 3.98Å; E728-M770 HydrophobicContact CG-CB 4.2Å; E728-M770 HydrophobicContact CG-CG 3.5Å; E728-M770 VanDerWaalsContact CG-CG 3.5Å; E728-M770 PolarHBondContact OE1-N 3.25Å; E728-M770 VanDerWaalsContact OE1-N 3.16Å
729P84.9Confident86.4Confident13 Ų1366.8 Ų66.88%0.08434%0.338CS..  trans-75.3146.2-179.829.1-33.3000112.1K731 Q734 V735 V738P729-K731 VanDerWaalsContact C-N 3.33Å; P729-K731 PolarHBondContact O-N 2.76Å; P729-Q734 HydrophobicContact CB-CB 3.66Å; P729-Q734 HydrophobicContact CG-CB 4Å; P729-V735 HydrophobicContact CG-CB 4.46Å; P729-V735 HydrophobicContact CG-CG2 3.83Å; P729-V738 HydrophobicContact CB-CG2 4.43Å; P729-V738 HydrophobicContact CG-CG2 4.11Å
730K78.3Confident86.3Confident155 Ų15570.9 Ų70.967%0.67436%0.36SS*.SBendtrans-67.4-31.6174.1-70.9-174.1-179.5178.70112.7K769K730-K769 PolarHBondContact O-NZ 3.26Å
731K79.6Confident86.4Confident115 Ų11572.7 Ų72.750%0.536%0.36SS..SBendtrans-98.9138.2-176.4-61.9-175178.3-1800111P729 N733 Q734P729-K731 VanDerWaalsContact C-N 3.33Å; P729-K731 PolarHBondContact O-N 2.76Å; K731-N733 VanDerWaalsContact C-N 3.31Å; K731-N733 WeakPolarHBondContact CB-OD1 3.14Å; K731-N733 PolarHBondContact O-N 2.8Å; K731-Q734 HydrophobicContact CB-CG 4.46Å; K731-Q734 PolarHBondContact O-N 3.48Å
732A75.9Confident86.6Confident67 Ų6767.8 Ų67.855%0.55433%0.333SS*.G310 helixtrans-67-30.6-175.900000113Q734 V735 K769A732-Q734 PolarHBondContact O-N 3.12Å; A732-V735 WeakPolarHBondContact O-CB 3.17Å; A732-V735 PolarHBondContact O-N 3Å; A732-K769 HydrophobicContact CB-CD 4.18Å
733N80.5Confident86.7Confident129 Ų12964.9 Ų64.969%0.6933%0.325SS*.G310 helixtrans-69.8-15.3178.265.5-22.7000114.1K731K731-N733 VanDerWaalsContact C-N 3.31Å; K731-N733 WeakPolarHBondContact CB-OD1 3.14Å; K731-N733 PolarHBondContact O-N 2.8Å
734Q83.1Confident86.6Confident79 Ų7970.7 Ų70.737%0.36935%0.347SS..G310 helixtrans-93-11.3178.9-70171.5-11.400112.5P729 K731 A732 E736 Q737 V738P729-Q734 HydrophobicContact CB-CB 3.66Å; P729-Q734 HydrophobicContact CG-CB 4Å; K731-Q734 HydrophobicContact CB-CG 4.46Å; K731-Q734 PolarHBondContact O-N 3.48Å; A732-Q734 PolarHBondContact O-N 3.12Å; Q734-E736 PolarHBondContact O-N 2.88Å; Q734-Q737 PolarHBondContact O-N 3.44Å; Q734-V738 WeakPolarHBondContact O-CG2 3.21Å; Q734-V738 PolarHBondContact O-N 3.27Å; Q734-V738 VanDerWaalsContact O-N 3.08Å
735V83.1Confident86.4Confident19 Ų1966.3 Ų66.312%0.11533%0.329CS..Hα-helixtrans-58.4-50.4-176.3164.60000111.4P729 A732 Q737 V738 L739 K769 M770 I774P729-V735 HydrophobicContact CG-CB 4.46Å; P729-V735 HydrophobicContact CG-CG2 3.83Å; A732-V735 WeakPolarHBondContact O-CB 3.17Å; A732-V735 PolarHBondContact O-N 3Å; V735-Q737 VanDerWaalsContact C-N 3.32Å; V735-Q737 PolarHBondContact O-N 3.42Å; V735-V738 PolarHBondContact O-N 3.45Å; V735-L739 HydrophobicContact CG1-CD1 3.94Å; V735-L739 WeakPolarHBondContact O-CG 3.49Å; V735-L739 PolarHBondContact O-N 2.83Å; V735-K769 HydrophobicContact CG2-CB 4.13Å; V735-K769 HydrophobicContact CG2-CD 4.43Å; V735-M770 HydrophobicContact CB-SD 4.34Å; V735-M770 HydrophobicContact CG1-SD 3.59Å; V735-M770 VanDerWaalsContact CG1-SD 3.59Å; V735-M770 HydrophobicContact CG2-SD 4.33Å; V735-I774 HydrophobicContact CG1-CD1 3.91Å
736E83.4Confident86.1Confident145 Ų14564.5 Ų64.568%0.67832%0.32SS*.Hα-helixtrans-63.5-37.8-179.9-68.9-176.5174.300112.4Q734 L739 N740Q734-E736 PolarHBondContact O-N 2.88Å; E736-L739 PolarHBondContact O-N 3.46Å; E736-N740 WeakPolarHBondContact O-CB 3.12Å; E736-N740 PolarHBondContact O-N 3.33Å; E736-N740 PolarHBondContact O-ND2 3.02Å; E736-N740 VanDerWaalsContact O-ND2 3.12Å
737Q87.6Confident85.8Confident113 Ų11369.6 Ų69.653%0.52834%0.344SS..Hα-helixtrans-62.1-50.1177.5-175.4-175.6-13.500111.1Q734 V735 L739 N740 E741Q734-Q737 PolarHBondContact O-N 3.44Å; V735-Q737 VanDerWaalsContact C-N 3.32Å; V735-Q737 PolarHBondContact O-N 3.42Å; Q737-L739 VanDerWaalsContact C-N 3.34Å; Q737-L739 PolarHBondContact O-N 3.28Å; Q737-N740 PolarHBondContact O-N 3.31Å; Q737-E741 WeakPolarHBondContact CG-OE1 3.36Å; Q737-E741 PolarHBondContact NE2-OE1 3.39Å; Q737-E741 WeakPolarHBondContact O-CG 3.5Å; Q737-E741 PolarHBondContact O-N 3.25Å
738V88.4Confident85.4Confident24 Ų2473.5 Ų73.515%0.14536%0.355CS..Hα-helixtrans-62.8-40.7-179.8174.10000111.1F726 P729 Q734 V735 E741 F742F726-V738 HydrophobicContact CB-CG1 4.46Å; F726-V738 HydrophobicContact CD1-CG1 4.32Å; P729-V738 HydrophobicContact CB-CG2 4.43Å; P729-V738 HydrophobicContact CG-CG2 4.11Å; Q734-V738 WeakPolarHBondContact O-CG2 3.21Å; Q734-V738 PolarHBondContact O-N 3.27Å; Q734-V738 VanDerWaalsContact O-N 3.08Å; V735-V738 PolarHBondContact O-N 3.45Å; V738-E741 PolarHBondContact O-N 3.33Å; V738-F742 VanDerWaalsContact O-CB 3.31Å; V738-F742 WeakPolarHBondContact O-CB 3.45Å; V738-F742 PolarHBondContact O-N 3.48Å
739L86.6Confident85Confident35 Ų3573.6 Ų73.618%0.18336%0.358CS..Hα-helixtrans-62.6-43.4175.5-74.2169.3000112.8V735 E736 Q737 E741 F742 S743 M770 I774 F776V735-L739 HydrophobicContact CG1-CD1 3.94Å; V735-L739 WeakPolarHBondContact O-CG 3.49Å; V735-L739 PolarHBondContact O-N 2.83Å; E736-L739 PolarHBondContact O-N 3.46Å; Q737-L739 VanDerWaalsContact C-N 3.34Å; Q737-L739 PolarHBondContact O-N 3.28Å; L739-E741 VanDerWaalsContact C-N 3.31Å; L739-E741 PolarHBondContact O-N 3.46Å; L739-F742 PolarHBondContact O-N 2.9Å; L739-S743 WeakPolarHBondContact O-CB 3.26Å; L739-S743 PolarHBondContact O-N 2.94Å; L739-M770 HydrophobicContact CD1-SD 4.44Å; L739-M770 HydrophobicContact CD2-CE 3.3Å; L739-M770 HydrophobicContact CD2-SD 4.2Å; L739-M770 HydrophobicContact CG-CE 3.72Å; L739-M770 HydrophobicContact CG-SD 4.11Å; L739-I774 HydrophobicContact CD1-CD1 3.49Å; L739-I774 VanDerWaalsContact CD1-CD1 3.49Å; L739-I774 HydrophobicContact CD1-CG1 3.99Å; L739-I774 HydrophobicContact CD1-CG2 4.09Å; L739-I774 HydrophobicContact CD2-CD1 4.07Å; L739-I774 HydrophobicContact CD2-CG2 3.87Å; L739-I774 HydrophobicContact CG-CD1 4.18Å; L739-F776 HydrophobicContact CD2-CE1 4.34Å
740N88.3Confident84.4Confident88 Ų8876.4 Ų76.447%0.47138%0.382SS..Hα-helixtrans-65.4-38.1178.8-74.7-29000111.3E736 Q737 R744E736-N740 WeakPolarHBondContact O-CB 3.12Å; E736-N740 PolarHBondContact O-N 3.33Å; E736-N740 PolarHBondContact O-ND2 3.02Å; E736-N740 VanDerWaalsContact O-ND2 3.12Å; Q737-N740 PolarHBondContact O-N 3.31Å; N740-R744 WeakPolarHBondContact O-CB 3.34Å; N740-R744 WeakPolarHBondContact O-CG 3.48Å; N740-R744 PolarHBondContact O-N 2.96Å; N740-R744 PolarHBondContact O-NE 2.81Å
741E89.9Confident83.9Confident68 Ų6874.6 Ų74.632%0.31838%0.384SS..Hα-helixtrans-68.5-40.3174.1-70.2174.9-164.300112.4F726 Q737 V738 L739 C745F726-E741 HydrophobicContact CE1-CB 3.83Å; F726-E741 HydrophobicContact CZ-CB 4.43Å; Q737-E741 WeakPolarHBondContact CG-OE1 3.36Å; Q737-E741 PolarHBondContact NE2-OE1 3.39Å; Q737-E741 WeakPolarHBondContact O-CG 3.5Å; Q737-E741 PolarHBondContact O-N 3.25Å; V738-E741 PolarHBondContact O-N 3.33Å; L739-E741 VanDerWaalsContact C-N 3.31Å; L739-E741 PolarHBondContact O-N 3.46Å; E741-C745 WeakPolarHBondContact O-CB 3.35Å; E741-C745 PolarHBondContact O-N 2.79Å
742F90.7Very high83Confident3 Ų374 Ų741%0.01339%0.386CS..Hα-helixtrans-60.8-48.7174.2175.7-105.6000111.5F726 V738 L739 C745 I746 A760 L762 L780F726-F742 HydrophobicContact CD2-CB 4.4Å; F726-F742 AromaticContact CD2-CD2 3.73Å; F726-F742 HydrophobicContact CD2-CD2 3.73Å; F726-F742 HydrophobicContact CE2-CB 4.48Å; F726-F742 HydrophobicContact CE2-CD2 4.17Å; F726-F742 HydrophobicContact CG-CB 4.43Å; F726-F742 HydrophobicContact CG-CD2 4.25Å; V738-F742 VanDerWaalsContact O-CB 3.31Å; V738-F742 WeakPolarHBondContact O-CB 3.45Å; V738-F742 PolarHBondContact O-N 3.48Å; L739-F742 PolarHBondContact O-N 2.9Å; F742-C745 WeakPolarHBondContact O-CB 3.45Å; F742-C745 PolarHBondContact O-N 3.14Å; F742-I746 HydrophobicContact CD1-CD1 3.99Å; F742-I746 HydrophobicContact CD2-CD1 4.26Å; F742-I746 HydrophobicContact CE1-CD1 3.5Å; F742-I746 VanDerWaalsContact CE1-CD1 3.5Å; F742-I746 HydrophobicContact CE2-CD1 3.81Å; F742-I746 HydrophobicContact CG-CD1 4.36Å; F742-I746 HydrophobicContact CZ-CD1 3.41Å; F742-I746 VanDerWaalsContact CZ-CD1 3.41Å; F742-I746 WeakPolarHBondContact O-CG1 3.29Å; F742-I746 PolarHBondContact O-N 3.25Å; F742-I746 VanDerWaalsContact O-N 3.13Å; F742-A760 HydrophobicContact CD2-CB 3.61Å; F742-A760 HydrophobicContact CE2-CB 3.55Å; F742-L762 HydrophobicContact CD2-CB 4.19Å; F742-L762 HydrophobicContact CE2-CB 3.78Å; F742-L762 HydrophobicContact CZ-CB 4.15Å; F742-L780 HydrophobicContact CD1-CD2 4.3Å; F742-L780 HydrophobicContact CE1-CB 4.27Å; F742-L780 HydrophobicContact CE1-CD2 4.26Å; F742-L780 WeakPolarHBondContact CE1-O 3.47Å; F742-L780 WeakPolarHBondContact CZ-O 3.49Å
743S89.6Confident82.1Confident29 Ų2976.2 Ų76.220%0.20340%0.397CS..Hα-helixtrans-62.1-47.5178.1-175.10000112L739 C745 I746 Q747L739-S743 WeakPolarHBondContact O-CB 3.26Å; L739-S743 PolarHBondContact O-N 2.94Å; S743-C745 VanDerWaalsContact C-N 3.28Å; S743-C745 PolarHBondContact O-N 3.39Å; S743-I746 PolarHBondContact O-N 3.3Å; S743-Q747 WeakPolarHBondContact O-CG 3.35Å; S743-Q747 PolarHBondContact O-N 2.94Å
744R88.5Confident80.8Confident122 Ų12275.5 Ų75.546%0.4640%0.402SS..Hα-helixtrans-59-38175.4-81.5-175.5-99.5127-6.5112.6N740 R748N740-R744 WeakPolarHBondContact O-CB 3.34Å; N740-R744 WeakPolarHBondContact O-CG 3.48Å; N740-R744 PolarHBondContact O-N 2.96Å; N740-R744 PolarHBondContact O-NE 2.81Å; R744-R748 VanDerWaalsContact O-CG 3.31Å; R744-R748 WeakPolarHBondContact O-CG 3.26Å; R744-R748 PolarHBondContact O-N 2.96Å; R744-R748 VanDerWaalsContact O-N 3.08Å
745C88.9Confident79.7Confident17 Ų1774.5 Ų74.512%0.11541%0.414CS..Hα-helixtrans-64-45.8177.8-170.40000111.6F726 E741 F742 S743 R748 S749 A760F726-C745 HydrophobicContact CE2-CB 4.02Å; F726-C745 HydrophobicContact CZ-CB 4.01Å; E741-C745 WeakPolarHBondContact O-CB 3.35Å; E741-C745 PolarHBondContact O-N 2.79Å; F742-C745 WeakPolarHBondContact O-CB 3.45Å; F742-C745 PolarHBondContact O-N 3.14Å; S743-C745 VanDerWaalsContact C-N 3.28Å; S743-C745 PolarHBondContact O-N 3.39Å; C745-R748 PolarHBondContact O-N 3.18Å; C745-S749 PolarHBondContact O-N 3.43Å; C745-S749 PolarHBondContact O-OG 2.93Å; C745-A760 HydrophobicContact CB-CB 4.42Å
746I88.2Confident78.9Confident6 Ų675.9 Ų75.93%0.03143%0.432CS..Hα-helixtrans-65-43.4-179.5-69170.5000110.9G692 F742 S743 R748 S749 A750 A760 D779 L780G692-I746 VanDerWaalsContact CA-CD1 3.5Å; F742-I746 HydrophobicContact CD1-CD1 3.99Å; F742-I746 HydrophobicContact CD2-CD1 4.26Å; F742-I746 HydrophobicContact CE1-CD1 3.5Å; F742-I746 VanDerWaalsContact CE1-CD1 3.5Å; F742-I746 HydrophobicContact CE2-CD1 3.81Å; F742-I746 HydrophobicContact CG-CD1 4.36Å; F742-I746 HydrophobicContact CZ-CD1 3.41Å; F742-I746 VanDerWaalsContact CZ-CD1 3.41Å; F742-I746 WeakPolarHBondContact O-CG1 3.29Å; F742-I746 PolarHBondContact O-N 3.25Å; F742-I746 VanDerWaalsContact O-N 3.13Å; S743-I746 PolarHBondContact O-N 3.3Å; I746-R748 PolarHBondContact O-N 2.96Å; I746-S749 PolarHBondContact O-N 2.82Å; I746-A750 PolarHBondContact O-N 2.87Å; I746-A750 VanDerWaalsContact O-N 3.09Å; I746-A760 HydrophobicContact CD1-CB 4.32Å; I746-A760 HydrophobicContact CG1-CB 3.91Å; I746-D779 HydrophobicContact CG2-CB 3.94Å; I746-L780 HydrophobicContact CD1-CD2 3.96Å
747Q86Confident78.6Confident121 Ų12171.3 Ų71.357%0.56541%0.414SS*.Hα-helixtrans-61.5-42.3177.5-71.2174.6-8.200112.2S743 A750S743-Q747 WeakPolarHBondContact O-CG 3.35Å; S743-Q747 PolarHBondContact O-N 2.94Å; Q747-A750 PolarHBondContact O-N 3.35Å
748R83.5Confident78.3Confident176 Ų17669.1 Ų69.166%0.66441%0.408SS*.Hα-helixtrans-65.5-44.4176.7-73.8177-179-173.3-1.3112.3R744 C745 I746 A750 V751 D752R744-R748 VanDerWaalsContact O-CG 3.31Å; R744-R748 WeakPolarHBondContact O-CG 3.26Å; R744-R748 PolarHBondContact O-N 2.96Å; R744-R748 VanDerWaalsContact O-N 3.08Å; C745-R748 PolarHBondContact O-N 3.18Å; I746-R748 PolarHBondContact O-N 2.96Å; R748-A750 PolarHBondContact O-N 3.37Å; R748-V751 PolarHBondContact O-N 3.13Å; R748-V751 VanDerWaalsContact O-N 3.09Å; R748-D752 PolarHBondContact O-N 3.39Å
749S79.9Confident78.3Confident22 Ų2268 Ų6815%0.15440%0.401CS..Hα-helixtrans-64.5-21.1177.5-66.80000113.7C745 I746 V757C745-S749 PolarHBondContact O-N 3.43Å; C745-S749 PolarHBondContact O-OG 2.93Å; I746-S749 PolarHBondContact O-N 2.82Å; S749-V757 PolarHBondContact OG-O 3.3Å
750A72.5Confident78.6Confident72 Ų7266.3 Ų66.360%0.59539%0.392SS*.Hα-helixtrans-75.5-25.6174.200000113I746 Q747 R748I746-A750 PolarHBondContact O-N 2.87Å; I746-A750 VanDerWaalsContact O-N 3.09Å; Q747-A750 PolarHBondContact O-N 3.35Å; R748-A750 PolarHBondContact O-N 3.37Å
751V67.2Low78.9Confident116 Ų11662.1 Ų62.170%0.70337%0.37SS*.Hα-helixtrans-95.1-45.5-177.6-177.10000111.1R748 S753R748-V751 PolarHBondContact O-N 3.13Å; R748-V751 VanDerWaalsContact O-N 3.09Å; V751-S753 PolarHBondContact O-N 2.93Å
752D61.3Low79.1Confident104 Ų10458.9 Ų58.956%0.55636%0.355SS*.  trans-97.785.3-178.4-74.7-29.7000111.5R748 S754R748-D752 PolarHBondContact O-N 3.39Å; D752-S754 PolarHBondContact O-N 2.91Å
753S56.8Low79.3Confident112 Ų11258.8 Ų58.878%0.78335%0.354SS*.G310 helixtrans-71.6-4.3174.3-66.20000113.9V751V751-S753 PolarHBondContact O-N 2.93Å
754S53.6Low79.5Confident114 Ų11457.4 Ų57.480%0.79735%0.345SS*.G310 helixtrans-81.3-15.7-175.551.10000114.3D752D752-S754 PolarHBondContact O-N 2.91Å
755G58.7Low79.6Confident59 Ų5951.9 Ų51.961%0.60832%0.324SS*.G310 helixtrans-93.26.4-17200000117.2V757G755-V757 PolarHBondContact O-N 3.33Å
756G67.4Low79.7Confident48 Ų4851.7 Ų51.750%0.49532%0.322SS..SBendtrans70.8-17.7178.800000116.6
757V77Confident79.4Confident49 Ų4954 Ų5430%0.29735%0.348SS..  trans-90.5118.2177.2-179.20000110.4K722 S749 G755 G759K722-V757 WeakPolarHBondContact O-CA 3.45Å; S749-V757 PolarHBondContact OG-O 3.3Å; G755-V757 PolarHBondContact O-N 3.33Å; V757-G759 VanDerWaalsContact CG1-O 3.3Å; V757-G759 WeakPolarHBondContact CG1-O 3.44Å
758T81.3Confident79.2Confident66 Ų6648.4 Ų48.441%0.40532%0.323SS..  trans-94.75.1-172.760.80000114G691 K722 K723G691-T758 PolarHBondContact N-O 2.81Å; G691-T758 VanDerWaalsContact N-O 3.14Å; K722-T758 PolarHBondContact O-N 3.17Å; K722-T758 PolarHBondContact O-OG1 3.28Å; K723-T758 PolarHBondContact NZ-OG1 3.41Å
759G88.6Confident79Confident0 Ų044.2 Ų44.20%031%0.31CS..  trans147.8-148.9-178.700000112.7K723 K724 V757K723-G759 VanDerWaalsContact CA-O 3.3Å; K723-G759 WeakPolarHBondContact CA-O 3.38Å; K724-G759 PolarHBondContact N-O 3.5Å; V757-G759 VanDerWaalsContact CG1-O 3.3Å; V757-G759 WeakPolarHBondContact CG1-O 3.44Å
760A93.1Very high78.9Confident0 Ų043.2 Ų43.20%030%0.302CS..EExtended strand (participates in β ladder)trans-133.7152.6-174.200000112.3G691 G692 V693 K724 F726 F742 C745 I746G691-A760 PolarHBondContact O-N 2.63Å; G692-A760 WeakPolarHBondContact CA-O 3.39Å; V693-A760 PolarHBondContact N-O 2.82Å; K724-A760 CarbonylContact O-C 3.58Å; K724-A760 VanDerWaalsContact O-CA 3.25Å; K724-A760 WeakPolarHBondContact O-CA 3.49Å; F726-A760 HydrophobicContact CD2-CB 3.92Å; F726-A760 HydrophobicContact CE2-CB 3.73Å; F742-A760 HydrophobicContact CD2-CB 3.61Å; F742-A760 HydrophobicContact CE2-CB 3.55Å; C745-A760 HydrophobicContact CB-CB 4.42Å; I746-A760 HydrophobicContact CD1-CB 4.32Å; I746-A760 HydrophobicContact CG1-CB 3.91Å
761I94.4Very high79Confident0 Ų039.9 Ų39.90%028%0.275CS..EExtended strand (participates in β ladder)trans-116.7131.9170.2-175.5167.6000109.5V693 K723 K724 I725 F726 F763V693-I761 HydrophobicContact CB-CB 4.44Å; V693-I761 HydrophobicContact CB-CG1 4.21Å; V693-I761 HydrophobicContact CG1-CD1 4.27Å; V693-I761 HydrophobicContact CG1-CG1 4.27Å; V693-I761 CarbonylContact O-C 3.5Å; V693-I761 VanDerWaalsContact O-CA 3.28Å; V693-I761 WeakPolarHBondContact O-CA 3.18Å; K723-I761 HydrophobicContact CB-CB 4.33Å; K723-I761 HydrophobicContact CB-CG2 4.19Å; K723-I761 HydrophobicContact CD-CB 4.45Å; K724-I761 PolarHBondContact O-N 2.85Å; I725-I761 HydrophobicContact CB-CG2 4.16Å; I725-I761 HydrophobicContact CG1-CG2 3.56Å; F726-I761 PolarHBondContact N-O 3.45Å; I761-F763 HydrophobicContact CD1-CD1 4.37Å; I761-F763 HydrophobicContact CD1-CE1 3.55Å; I761-F763 HydrophobicContact CD1-CZ 4.05Å; I761-F763 HydrophobicContact CG1-CD1 4.36Å; I761-F763 HydrophobicContact CG1-CE1 3.95Å; I761-F763 HydrophobicContact CG1-CZ 4.48Å
762L94.1Very high79.1Confident0 Ų037.1 Ų37.10%025%0.254CS..EExtended strand (participates in β ladder)trans-111.7118.6177.2176.865.8000109.8V693 V694 C695 F726 F742 S764 M770 F776V693-L762 PolarHBondContact O-N 2.98Å; V694-L762 HydrophobicContact CG1-CD2 4.4Å; C695-L762 PolarHBondContact N-O 3.11Å; F726-L762 HydrophobicContact CB-CD1 3.78Å; F726-L762 WeakPolarHBondContact O-CA 3.43Å; F742-L762 HydrophobicContact CD2-CB 4.19Å; F742-L762 HydrophobicContact CE2-CB 3.78Å; F742-L762 HydrophobicContact CZ-CB 4.15Å; L762-S764 WeakPolarHBondContact CG-OG 3.41Å; L762-M770 HydrophobicContact CD1-CE 4.11Å; L762-M770 HydrophobicContact CD2-CE 3.55Å; L762-M770 HydrophobicContact CG-CE 4.43Å; L762-F776 HydrophobicContact CD2-CE1 3.76Å; L762-F776 HydrophobicContact CD2-CZ 3.95Å
763F94.9Very high79.3Confident2 Ų235.3 Ų35.31%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-86.4119.3169.2-62.7-40.6000109.8L682 C695 F697 I707 W710 L716 L719 I725 F726 Q727 E728 I761L682-F763 HydrophobicContact CD1-CE1 4.09Å; C695-F763 HydrophobicContact CB-CD1 3.93Å; C695-F763 HydrophobicContact CB-CE1 4.25Å; F697-F763 HydrophobicContact CD2-CB 4.49Å; F697-F763 HydrophobicContact CE2-CB 3.95Å; F697-F763 AromaticContact CE2-CD1 3.6Å; F697-F763 HydrophobicContact CE2-CD1 3.6Å; F697-F763 HydrophobicContact CE2-CE1 4.34Å; F697-F763 AromaticContact CE2-CG 3.91Å; F697-F763 HydrophobicContact CE2-CG 3.91Å; F697-F763 HydrophobicContact CZ-CD1 4.09Å; F697-F763 HydrophobicContact CZ-CE1 4.39Å; I707-F763 HydrophobicContact CD1-CB 4.44Å; I707-F763 HydrophobicContact CD1-CD2 3.86Å; I707-F763 HydrophobicContact CD1-CG 4.39Å; I707-F763 HydrophobicContact CG1-CD2 4.25Å; I707-F763 HydrophobicContact CG1-CE2 4.47Å; W710-F763 HydrophobicContact CE3-CZ 4.3Å; W710-F763 HydrophobicContact CZ3-CE1 4.05Å; W710-F763 HydrophobicContact CZ3-CE2 4.42Å; W710-F763 AromaticContact CZ3-CZ 3.78Å; W710-F763 HydrophobicContact CZ3-CZ 3.78Å; L716-F763 HydrophobicContact CD1-CE2 4.11Å; L719-F763 HydrophobicContact CD1-CZ 4.36Å; I725-F763 HydrophobicContact CG2-CD2 3.83Å; I725-F763 HydrophobicContact CG2-CE2 3.56Å; I725-F763 HydrophobicContact CG2-CZ 4.48Å; F726-F763 PolarHBondContact O-N 3.42Å; Q727-F763 HydrophobicContact CG-CB 4.47Å; Q727-F763 HydrophobicContact CG-CD2 4.2Å; E728-F763 WeakPolarHBondContact CB-O 3.4Å; E728-F763 PolarHBondContact N-O 3.04Å; I761-F763 HydrophobicContact CD1-CD1 4.37Å; I761-F763 HydrophobicContact CD1-CE1 3.55Å; I761-F763 HydrophobicContact CD1-CZ 4.05Å; I761-F763 HydrophobicContact CG1-CD1 4.36Å; I761-F763 HydrophobicContact CG1-CE1 3.95Å; I761-F763 HydrophobicContact CG1-CZ 4.48Å
764S93.1Very high80.1Confident0 Ų031.1 Ų31.10%023%0.229CC..EExtended strand (participates in β ladder)trans-132.4165.4-179.2-64.40000110.9C695 F696 F697 E728 L762C695-S764 PolarHBondContact O-N 3.08Å; F696-S764 CarbonylContact C-O 3.55Å; F696-S764 WeakPolarHBondContact CA-O 3.39Å; F697-S764 PolarHBondContact N-O 2.76Å; E728-S764 WeakPolarHBondContact OE2-CA 3.4Å; L762-S764 WeakPolarHBondContact CG-OG 3.41Å
765V91.9Very high81.3Confident5 Ų529.6 Ų29.63%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-112.7138178.7177.60000109.9F697 Y700 E728 G767 G768 S771F697-V765 WeakPolarHBondContact O-CA 3.47Å; Y700-V765 HydrophobicContact CD1-CB 4.18Å; Y700-V765 HydrophobicContact CD1-CG2 3.5Å; Y700-V765 VanDerWaalsContact CD1-CG2 3.5Å; Y700-V765 HydrophobicContact CD2-CB 4.39Å; Y700-V765 HydrophobicContact CD2-CG1 4.09Å; Y700-V765 HydrophobicContact CD2-CG2 4.35Å; Y700-V765 HydrophobicContact CE1-CB 3.98Å; Y700-V765 HydrophobicContact CE1-CG2 3.71Å; Y700-V765 HydrophobicContact CE2-CB 4.23Å; Y700-V765 HydrophobicContact CE2-CG1 4.15Å; Y700-V765 HydrophobicContact CG-CB 4.36Å; Y700-V765 HydrophobicContact CG-CG1 4.35Å; Y700-V765 HydrophobicContact CG-CG2 3.84Å; E728-V765 PolarHBondContact OE2-N 2.75Å; V765-G767 PolarHBondContact O-N 3.01Å; V765-G768 WeakPolarHBondContact O-CA 3.48Å; V765-G768 PolarHBondContact O-N 3.47Å; V765-S771 WeakPolarHBondContact O-CB 3.39Å; V765-S771 PolarHBondContact O-OG 3.05Å
766V89.7Confident82.5Confident13 Ų1326.9 Ų26.98%0.07918%0.183CC..THydrogen-bonded Turntrans-65.7131.1174.6-176.30000110.1F696 F697 G768 M786 P790 A830F696-V766 HydrophobicContact CB-CG2 3.74Å; F696-V766 HydrophobicContact CD1-CG2 4.48Å; F696-V766 HydrophobicContact CG-CG2 4.39Å; F697-V766 PolarHBondContact O-N 2.85Å; V766-G768 PolarHBondContact O-N 3.03Å; V766-M786 HydrophobicContact CG2-CE 3.85Å; V766-M786 HydrophobicContact CG2-SD 3.47Å; V766-M786 WeakPolarHBondContact CG2-SD 3.45Å; V766-P790 HydrophobicContact CB-CB 3.89Å; V766-P790 HydrophobicContact CB-CG 4.2Å; V766-P790 HydrophobicContact CG1-CB 3.9Å; V766-P790 HydrophobicContact CG1-CG 3.79Å; V766-P790 HydrophobicContact CG2-CB 4.25Å; V766-P790 HydrophobicContact CG2-CG 4.32Å; V766-A830 HydrophobicContact CG1-CB 3.56Å
767G81.3Confident83.2Confident54 Ų5426.5 Ų26.556%0.55717%0.173SC*.THydrogen-bonded Turntrans73.22.8-171.200000113.7V765 S771V765-G767 PolarHBondContact O-N 3.01Å; G767-S771 VanDerWaalsContact C-OG 3.3Å; G767-S771 VanDerWaalsContact CA-OG 3.25Å; G767-S771 WeakPolarHBondContact CA-OG 3.34Å; G767-S771 PolarHBondContact N-OG 3.36Å
768G82.6Confident83.6Confident5 Ų526.9 Ų26.95%0.05217%0.173CC..SBendtrans-74.8173.4170.700000112.6Y700 V765 V766 M770 S771 E772Y700-G768 VanDerWaalsContact OH-CA 3.27Å; Y700-G768 WeakPolarHBondContact OH-CA 3.43Å; V765-G768 WeakPolarHBondContact O-CA 3.48Å; V765-G768 PolarHBondContact O-N 3.47Å; V766-G768 PolarHBondContact O-N 3.03Å; G768-M770 PolarHBondContact O-N 3.45Å; G768-S771 PolarHBondContact N-OG 2.96Å; G768-S771 PolarHBondContact O-N 3.39Å; G768-S771 PolarHBondContact O-OG 3.33Å; G768-E772 PolarHBondContact O-N 3.38Å
769K79.3Confident83.9Confident88 Ų8825.7 Ų25.738%0.38316%0.164SC..G310 helixtrans-61.1-33.8-177.9-63.9174-176.6174.90112.1E728 K730 A732 V735 S771E728-K769 PolarHBondContact OE1-N 3Å; K730-K769 PolarHBondContact O-NZ 3.26Å; A732-K769 HydrophobicContact CB-CD 4.18Å; V735-K769 HydrophobicContact CG2-CB 4.13Å; V735-K769 HydrophobicContact CG2-CD 4.43Å; K769-S771 VanDerWaalsContact C-N 3.32Å
770M77.4Confident83.9Confident0 Ų027.5 Ų27.50%017%0.174CC..G310 helixtrans-79.7-19.3-179.9-63.2-76.2-74.300113.1E728 V735 L739 L762 G768 I774E728-M770 HydrophobicContact CB-CG 3.98Å; E728-M770 HydrophobicContact CG-CB 4.2Å; E728-M770 HydrophobicContact CG-CG 3.5Å; E728-M770 VanDerWaalsContact CG-CG 3.5Å; E728-M770 PolarHBondContact OE1-N 3.25Å; E728-M770 VanDerWaalsContact OE1-N 3.16Å; V735-M770 HydrophobicContact CB-SD 4.34Å; V735-M770 HydrophobicContact CG1-SD 3.59Å; V735-M770 VanDerWaalsContact CG1-SD 3.59Å; V735-M770 HydrophobicContact CG2-SD 4.33Å; L739-M770 HydrophobicContact CD1-SD 4.44Å; L739-M770 HydrophobicContact CD2-CE 3.3Å; L739-M770 HydrophobicContact CD2-SD 4.2Å; L739-M770 HydrophobicContact CG-CE 3.72Å; L739-M770 HydrophobicContact CG-SD 4.11Å; L762-M770 HydrophobicContact CD1-CE 4.11Å; L762-M770 HydrophobicContact CD2-CE 3.55Å; L762-M770 HydrophobicContact CG-CE 4.43Å; G768-M770 PolarHBondContact O-N 3.45Å; M770-I774 HydrophobicContact CB-CD1 4.11Å; M770-I774 HydrophobicContact CE-CD1 4.13Å; M770-I774 HydrophobicContact CG-CD1 4.29Å; M770-I774 HydrophobicContact SD-CD1 3.41Å; M770-I774 WeakPolarHBondContact SD-CD1 3.33Å
771S75Confident83.7Confident2 Ų227.5 Ų27.51%0.01417%0.174CC..G310 helixtrans-91.2-4.1177.777.80000113.3V765 G767 G768 K769 R837V765-S771 WeakPolarHBondContact O-CB 3.39Å; V765-S771 PolarHBondContact O-OG 3.05Å; G767-S771 VanDerWaalsContact C-OG 3.3Å; G767-S771 VanDerWaalsContact CA-OG 3.25Å; G767-S771 WeakPolarHBondContact CA-OG 3.34Å; G767-S771 PolarHBondContact N-OG 3.36Å; G768-S771 PolarHBondContact N-OG 2.96Å; G768-S771 PolarHBondContact O-N 3.39Å; G768-S771 PolarHBondContact O-OG 3.33Å; K769-S771 VanDerWaalsContact C-N 3.32Å; S771-R837 PolarHBondContact O-NE 3.18Å; S771-R837 PolarHBondContact O-NH2 3.08Å
772E70.1Confident83.6Confident59 Ų5927.9 Ų27.928%0.27618%0.176SC..SBendtrans-115.3134.2173.4-68.8-154.9133.600110R216 N377 G768 I774R216-E772 IonicContact CZ-OE1 3.35Å; R216-E772 IonicContact CZ-OE2 3.31Å; R216-E772 VanDerWaalsContact NH1-CD 3.34Å; R216-E772 IonicContact NH1-OE1 3.76Å; R216-E772 PolarHBondContact NH1-OE1 3.21Å; R216-E772 IonicContact NH1-OE2 4Å; R216-E772 PolarHBondContact NH1-OE2 2.96Å; R216-E772 IonicContact NH2-OE1 2.76Å; R216-E772 PolarHBondContact NH2-OE1 2.74Å; R216-E772 IonicContact NH2-OE2 3.86Å; R216-E772 PolarHBondContact NH2-OE2 2.85Å; N377-E772 PolarHBondContact ND2-OE1 2.83Å; G768-E772 PolarHBondContact O-N 3.38Å; E772-I774 VanDerWaalsContact C-N 3.27Å; E772-I774 PolarHBondContact O-N 3.2Å
773G65.5Low83.6Confident66 Ų6627.9 Ų27.968%0.6818%0.176SC*.SBendtrans73.8-12.7171.500000118.7
774I74.1Confident83.6Confident23 Ų2327.9 Ų27.912%0.11818%0.175CC..  trans-95.5146.7-179.1-58.1172.1000112.3V735 L739 M770 E772 F776 R837V735-I774 HydrophobicContact CG1-CD1 3.91Å; L739-I774 HydrophobicContact CD1-CD1 3.49Å; L739-I774 VanDerWaalsContact CD1-CD1 3.49Å; L739-I774 HydrophobicContact CD1-CG1 3.99Å; L739-I774 HydrophobicContact CD1-CG2 4.09Å; L739-I774 HydrophobicContact CD2-CD1 4.07Å; L739-I774 HydrophobicContact CD2-CG2 3.87Å; L739-I774 HydrophobicContact CG-CD1 4.18Å; M770-I774 HydrophobicContact CB-CD1 4.11Å; M770-I774 HydrophobicContact CE-CD1 4.13Å; M770-I774 HydrophobicContact CG-CD1 4.29Å; M770-I774 HydrophobicContact SD-CD1 3.41Å; M770-I774 WeakPolarHBondContact SD-CD1 3.33Å; E772-I774 VanDerWaalsContact C-N 3.27Å; E772-I774 PolarHBondContact O-N 3.2Å; I774-F776 HydrophobicContact CG2-CD1 4.5Å; I774-F776 HydrophobicContact CG2-CE1 4.07Å; I774-F776 HydrophobicContact CG2-CZ 4.11Å; I774-R837 WeakPolarHBondContact O-CD 3.43Å; I774-R837 PolarHBondContact O-NH1 3.03Å
775N77.8Confident83.7Confident82 Ų8227.9 Ų27.944%0.43918%0.176SC..  trans-112123.8177.2-57.9-14.7000110.3R840N775-R840 VanDerWaalsContact CG-NH2 3.27Å; N775-R840 PolarHBondContact OD1-NH1 3.14Å; N775-R840 PolarHBondContact OD1-NH2 3.31Å
776F83.8Confident83.9Confident3 Ų327.7 Ų27.71%0.01317%0.174CC..  trans-10274.8174-58.3-69.6000109V694 F696 L739 L762 I774 L780 R837V694-F776 HydrophobicContact CG1-CE2 4.13Å; V694-F776 HydrophobicContact CG1-CZ 4.15Å; V694-F776 HydrophobicContact CG2-CD1 3.94Å; V694-F776 HydrophobicContact CG2-CD2 4.28Å; V694-F776 HydrophobicContact CG2-CE1 4.07Å; V694-F776 HydrophobicContact CG2-CE2 4.41Å; V694-F776 HydrophobicContact CG2-CG 4.06Å; V694-F776 HydrophobicContact CG2-CZ 4.3Å; F696-F776 HydrophobicContact CZ-CE2 4.13Å; L739-F776 HydrophobicContact CD2-CE1 4.34Å; L762-F776 HydrophobicContact CD2-CE1 3.76Å; L762-F776 HydrophobicContact CD2-CZ 3.95Å; I774-F776 HydrophobicContact CG2-CD1 4.5Å; I774-F776 HydrophobicContact CG2-CE1 4.07Å; I774-F776 HydrophobicContact CG2-CZ 4.11Å; F776-L780 HydrophobicContact CB-CB 4.49Å; F776-R837 HydrophobicContact CD2-CB 3.96Å; F776-R837 PolarHBondContact N-O 3.38Å
777S81.7Confident84.2Confident40 Ų4027.1 Ų27.128%0.2817%0.171SC..  trans-79.7146.7-179.351.90000112.2D779 L780S777-D779 PolarHBondContact O-N 2.82Å; S777-L780 VanDerWaalsContact O-CB 3.27Å; S777-L780 WeakPolarHBondContact O-CB 3.39Å; S777-L780 WeakPolarHBondContact O-CG 3.47Å; S777-L780 PolarHBondContact O-N 3.02Å; S777-L780 VanDerWaalsContact O-N 3.11Å
778D85.9Confident84.8Confident57 Ų5724.6 Ų24.631%0.30515%0.145SC..G310 helixtrans55-125.1169.7-57.4-63.3000113.1L780 G781 R782 H841 D844D778-L780 PolarHBondContact O-N 3.16Å; D778-L780 VanDerWaalsContact O-N 3.16Å; D778-G781 PolarHBondContact O-N 2.87Å; D778-R782 WeakPolarHBondContact O-CD 3.35Å; D778-R782 PolarHBondContact O-NE 3.48Å; D778-H841 IonicContact OD1-CE1 2.86Å; D778-H841 PolarHBondContact OD1-CE1 2.94Å; D778-H841 VanDerWaalsContact OD1-CE1 3.29Å; D778-H841 IonicContact OD1-NE2 3.12Å; D778-H841 PolarHBondContact OD1-NE2 3.38Å; D778-H841 IonicContact OD2-NE2 3.16Å; D778-D844 WeakPolarHBondContact CA-OD1 3.49Å; D778-D844 PolarHBondContact N-OD2 3.1Å
779D88Confident85.2Confident41 Ų4124.8 Ų24.822%0.21914%0.144CC..G310 helixtrans-69.4-11.3-175.2-66.5-29.6000112.6G692 I746 S777 G781 R782 R896G692-D779 WeakPolarHBondContact CA-O 3.39Å; G692-D779 PolarHBondContact N-O 2.81Å; I746-D779 HydrophobicContact CG2-CB 3.94Å; S777-D779 PolarHBondContact O-N 2.82Å; D779-G781 VanDerWaalsContact C-N 3.34Å; D779-R782 IonicContact OD1-CZ 3.94Å; D779-R782 VanDerWaalsContact OD1-CZ 3.24Å; D779-R782 IonicContact OD1-NE 2.89Å; D779-R782 PolarHBondContact OD1-NE 3.28Å; D779-R782 IonicContact OD1-NH2 2.82Å; D779-R782 PolarHBondContact OD1-NH2 3.46Å; D779-R896 IonicContact OD1-NH1 3.85Å; D779-R896 PolarHBondContact OD1-NH1 3.07Å; D779-R896 IonicContact OD2-CZ 2.69Å; D779-R896 IonicContact OD2-NH1 3.76Å; D779-R896 IonicContact OD2-NH2 3.89Å; D779-R896 PolarHBondContact OD2-NH2 3.18Å
780L87.5Confident85.8Confident37 Ų3721.3 Ų21.319%0.19413%0.131CC..G310 helixtrans-72.2-25.6176.1-59.3177.9000113.2F742 I746 F776 S777 D778F742-L780 HydrophobicContact CD1-CD2 4.3Å; F742-L780 HydrophobicContact CE1-CB 4.27Å; F742-L780 HydrophobicContact CE1-CD2 4.26Å; F742-L780 WeakPolarHBondContact CE1-O 3.47Å; F742-L780 WeakPolarHBondContact CZ-O 3.49Å; I746-L780 HydrophobicContact CD1-CD2 3.96Å; F776-L780 HydrophobicContact CB-CB 4.49Å; S777-L780 VanDerWaalsContact O-CB 3.27Å; S777-L780 WeakPolarHBondContact O-CB 3.39Å; S777-L780 WeakPolarHBondContact O-CG 3.47Å; S777-L780 PolarHBondContact O-N 3.02Å; S777-L780 VanDerWaalsContact O-N 3.11Å; D778-L780 PolarHBondContact O-N 3.16Å; D778-L780 VanDerWaalsContact O-N 3.16Å
781G88.9Confident86.5Confident1 Ų124.6 Ų24.61%0.0114%0.144CC..  trans-141.240.6-167.600000114.5D778 D779 C783 S846D778-G781 PolarHBondContact O-N 2.87Å; D779-G781 VanDerWaalsContact C-N 3.34Å; G781-C783 VanDerWaalsContact C-N 3.25Å; G781-C783 PolarHBondContact O-N 2.95Å; G781-S846 PolarHBondContact O-OG 2.85Å
782R92.4Very high87Confident8 Ų826.6 Ų26.63%0.0316%0.156CC..SBendtrans-63.9-27.6-177-67.2-57.7-175.9-154.4-8.7114.1V689 P690 G692 D778 D779 D844 Y845 S846 S847 F889V689-R782 HydrophobicContact CG1-CB 3.86Å; P690-R782 WeakPolarHBondContact O-CB 3.33Å; P690-R782 WeakPolarHBondContact O-CG 3.37Å; G692-R782 PolarHBondContact O-N 2.98Å; G692-R782 VanDerWaalsContact O-N 3.08Å; D778-R782 WeakPolarHBondContact O-CD 3.35Å; D778-R782 PolarHBondContact O-NE 3.48Å; D779-R782 IonicContact OD1-CZ 3.94Å; D779-R782 VanDerWaalsContact OD1-CZ 3.24Å; D779-R782 IonicContact OD1-NE 2.89Å; D779-R782 PolarHBondContact OD1-NE 3.28Å; D779-R782 IonicContact OD1-NH2 2.82Å; D779-R782 PolarHBondContact OD1-NH2 3.46Å; R782-D844 IonicContact CZ-OD1 3.35Å; R782-D844 IonicContact NH1-OD1 2.76Å; R782-D844 PolarHBondContact NH1-OD1 3.21Å; R782-Y845 VanDerWaalsContact CZ-CE1 3.43Å; R782-Y845 VanDerWaalsContact NH1-CD1 3.35Å; R782-Y845 VanDerWaalsContact NH1-CE1 3.34Å; R782-Y845 PolarHBondContact NH1-O 3.43Å; R782-S846 WeakPolarHBondContact O-CA 3.48Å; R782-S846 PolarHBondContact O-OG 3.12Å; R782-S847 PolarHBondContact O-N 3.3Å; R782-S847 PolarHBondContact O-OG 3.38Å; R782-F889 HydrophobicContact CB-CE1 4.18Å; R782-F889 WeakPolarHBondContact O-CZ 3.36Å
783C94.1Very high87.8Confident0 Ų028.8 Ų28.80%017%0.17CC..EExtended strand (participates in β ladder)trans-137.9130.1169.9-176.90000111.3V689 G692 V693 V694 G781 S847V689-C783 HydrophobicContact CB-CB 4.24Å; V689-C783 HydrophobicContact CG1-CB 3.62Å; V689-C783 HydrophobicContact CG2-CB 3.67Å; G692-C783 PolarHBondContact O-N 3.15Å; V693-C783 WeakPolarHBondContact CA-O 3.45Å; V693-C783 HydrophobicContact CG2-CB 4.36Å; V694-C783 PolarHBondContact N-O 3.42Å; G781-C783 VanDerWaalsContact C-N 3.25Å; G781-C783 PolarHBondContact O-N 2.95Å; C783-S847 CarbonylContact C-O 3.54Å; C783-S847 VanDerWaalsContact CA-O 3.26Å; C783-S847 WeakPolarHBondContact CA-O 3.41Å; C783-S847 WeakPolarHBondContact CB-OG 3.36Å; C783-S847 PolarHBondContact SG-OG 3.42Å
784V94.8Very high88.7Confident1 Ų130 Ų301%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-107.4121.8169.5176.30000109.3V694 F696 I835 A838 S847 I848 V849V694-V784 HydrophobicContact CB-CG2 4.48Å; V694-V784 CarbonylContact O-C 3.56Å; V694-V784 WeakPolarHBondContact O-CA 3.42Å; F696-V784 HydrophobicContact CD2-CG1 3.68Å; F696-V784 HydrophobicContact CE2-CG1 3.68Å; V784-I835 HydrophobicContact CG1-CG2 4.47Å; V784-A838 HydrophobicContact CG2-CB 3.55Å; V784-S847 PolarHBondContact N-O 3.39Å; V784-I848 CarbonylContact O-C 3.5Å; V784-I848 WeakPolarHBondContact O-CA 3.13Å; V784-V849 PolarHBondContact O-N 3.08Å
785V96.1Very high89.2Confident1 Ų136.9 Ų36.91%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-107.4122.4177-174.50000108.8L682 I685 V693 V694 C695 F696 V787 V849L682-V785 HydrophobicContact CD2-CB 4.23Å; L682-V785 HydrophobicContact CD2-CG1 3.97Å; L682-V785 HydrophobicContact CD2-CG2 4.14Å; I685-V785 HydrophobicContact CD1-CG2 4Å; I685-V785 HydrophobicContact CG2-CG2 4.42Å; V693-V785 HydrophobicContact CG1-CG2 4.16Å; V694-V785 PolarHBondContact O-N 3.01Å; C695-V785 CarbonylContact C-O 3.59Å; C695-V785 WeakPolarHBondContact CA-O 3.31Å; C695-V785 HydrophobicContact CB-CB 4.38Å; F696-V785 PolarHBondContact N-O 3.46Å; V785-V787 HydrophobicContact CG1-CG2 4.27Å; V785-V849 CarbonylContact C-O 3.59Å; V785-V849 WeakPolarHBondContact CA-O 3.49Å; V785-V849 HydrophobicContact CG2-CB 4.37Å
786M95.9Very high89.7Confident1 Ų134.6 Ų34.61%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-103.9108.2175.5-173.658.261.400109.2F696 V766 V831 I835 V849 L850 C851 Y855F696-M786 HydrophobicContact CB-CE 3.62Å; F696-M786 HydrophobicContact CB-SD 3.74Å; F696-M786 HydrophobicContact CD2-CE 3.94Å; F696-M786 HydrophobicContact CG-CE 3.97Å; V766-M786 HydrophobicContact CG2-CE 3.85Å; V766-M786 HydrophobicContact CG2-SD 3.47Å; V766-M786 WeakPolarHBondContact CG2-SD 3.45Å; M786-V831 HydrophobicContact CG-CG1 4.47Å; M786-V831 HydrophobicContact CG-CG2 4.46Å; M786-V831 HydrophobicContact SD-CG2 4.48Å; M786-I835 HydrophobicContact CE-CG2 4.44Å; M786-V849 PolarHBondContact N-O 3.05Å; M786-L850 HydrophobicContact CB-CD2 3.68Å; M786-L850 HydrophobicContact CG-CD2 4.25Å; M786-C851 WeakPolarHBondContact O-CB 3.44Å; M786-C851 PolarHBondContact O-N 3.21Å; M786-Y855 WeakPolarHBondContact CG-OH 3.02Å
787V95.3Very high89.8Confident1 Ų136.6 Ų36.61%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-88111.8-179.9-178.10000109.4F664 T678 F696 F697 P698 Y702 V785F664-V787 HydrophobicContact CD1-CG1 4.04Å; F664-V787 HydrophobicContact CE1-CG1 3.58Å; F664-V787 HydrophobicContact CE2-CG1 4.37Å; F664-V787 HydrophobicContact CZ-CG1 3.77Å; T678-V787 HydrophobicContact CG2-CG1 3.99Å; T678-V787 HydrophobicContact CG2-CG2 4.1Å; F696-V787 PolarHBondContact O-N 3.38Å; F697-V787 HydrophobicContact CD1-CB 4Å; F697-V787 HydrophobicContact CD1-CG1 4.16Å; F697-V787 HydrophobicContact CD1-CG2 4.23Å; F697-V787 HydrophobicContact CE1-CB 4.24Å; F697-V787 HydrophobicContact CE1-CG1 4.27Å; F697-V787 HydrophobicContact CE1-CG2 4.01Å; P698-V787 WeakPolarHBondContact CD-O 3.47Å; Y702-V787 HydrophobicContact CE1-CG1 4.45Å; V785-V787 HydrophobicContact CG1-CG2 4.27Å
788G93.8Very high90Very high0 Ų037.3 Ų37.30%019%0.192CC..SBendtrans68.3-163.8-17900000114.1C851 Y855G788-C851 WeakPolarHBondContact CA-O 3.34Å; G788-C851 PolarHBondContact N-O 2.87Å; G788-Y855 WeakPolarHBondContact O-CE2 3.41Å; G788-Y855 PolarHBondContact O-OH 3.36Å
789M92.7Very high90.1Very high9 Ų935.5 Ų35.54%0.04418%0.182CC..  trans-119.1125.6178.9-65.1-170.380.900110Y791 M828 D852 R854 Y855 T860M789-Y791 HydrophobicContact CB-CD2 3.69Å; M789-Y791 HydrophobicContact CB-CE2 3.54Å; M789-Y791 HydrophobicContact CE-CE2 4.07Å; M789-Y791 HydrophobicContact CG-CE2 4.24Å; M789-Y791 PolarHBondContact O-N 3.44Å; M789-Y791 HydrophobicContact SD-CE2 3.72Å; M789-M828 HydrophobicContact CE-SD 3.83Å; M789-D852 HydrophobicContact CG-CB 4.4Å; M789-R854 HydrophobicContact SD-CB 3.57Å; M789-R854 VanDerWaalsContact SD-CB 3.57Å; M789-Y855 HydrophobicContact CE-CD1 4.36Å; M789-Y855 HydrophobicContact CE-CE1 4.03Å; M789-Y855 HydrophobicContact CG-CD2 4.41Å; M789-Y855 HydrophobicContact CG-CE1 4.15Å; M789-Y855 HydrophobicContact CG-CE2 3.79Å; M789-T860 HydrophobicContact CE-CG2 3.7Å
790P91.7Very high90.1Very high16 Ų1638.2 Ų38.210%0.10419%0.194CC..  trans-78.663-17735.5-40.1000112P698 V766 C827 A830 V831P698-P790 HydrophobicContact CB-CB 4.34Å; V766-P790 HydrophobicContact CB-CB 3.89Å; V766-P790 HydrophobicContact CB-CG 4.2Å; V766-P790 HydrophobicContact CG1-CB 3.9Å; V766-P790 HydrophobicContact CG1-CG 3.79Å; V766-P790 HydrophobicContact CG2-CB 4.25Å; V766-P790 HydrophobicContact CG2-CG 4.32Å; P790-C827 VanDerWaalsContact CD-SG 3.54Å; P790-A830 HydrophobicContact CG-CB 4.27Å; P790-V831 HydrophobicContact CG-CG2 3.75Å
791Y90.8Very high90.1Very high69 Ų6938.4 Ų38.427%0.27119%0.193SC..  trans-66.9135.4175.6-79.6-78.7000111.2M789 V823 E824 C827M789-Y791 HydrophobicContact CB-CD2 3.69Å; M789-Y791 HydrophobicContact CB-CE2 3.54Å; M789-Y791 HydrophobicContact CE-CE2 4.07Å; M789-Y791 HydrophobicContact CG-CE2 4.24Å; M789-Y791 PolarHBondContact O-N 3.44Å; M789-Y791 HydrophobicContact SD-CE2 3.72Å; Y791-V823 HydrophobicContact CD1-CG1 3.7Å; Y791-V823 HydrophobicContact CE1-CG1 4.16Å; Y791-E824 HydrophobicContact CE1-CG 4.43Å; Y791-C827 HydrophobicContact CD1-CB 3.94Å; Y791-C827 HydrophobicContact CE1-CB 3.99Å; Y791-C827 HydrophobicContact CG-CB 4.35Å
792P86.6Confident90Very high43 Ų4339.8 Ų39.828%0.27920%0.199SC..  trans-65.1159.5171.729.9-35.3000110.5I794 L799 V823 L826P792-I794 PolarHBondContact O-N 3.21Å; P792-L799 HydrophobicContact CB-CD2 3.97Å; P792-L799 HydrophobicContact CG-CD2 3.88Å; P792-V823 HydrophobicContact CG-CG1 4.19Å; P792-L826 HydrophobicContact CG-CB 4.42Å; P792-L826 HydrophobicContact CG-CD1 4.23Å
793N86.4Confident89.8Confident106 Ų10640.8 Ų40.857%0.56721%0.205SC*.  trans-69.3102.8179.1-177.88.7000110.9K795 S796N793-K795 PolarHBondContact O-N 3.29Å; N793-K795 VanDerWaalsContact O-N 3.15Å; N793-K795 WeakPolarHBondContact OD1-CB 3.24Å; N793-K795 PolarHBondContact OD1-N 3.32Å; N793-S796 WeakPolarHBondContact O-CB 3.45Å; N793-S796 PolarHBondContact O-N 3.37Å; N793-S796 PolarHBondContact O-OG 3.25Å
794I85.3Confident89.5Confident90 Ų9042.7 Ų42.746%0.46222%0.218SC..THydrogen-bonded Turntrans-62.8-19.7178.5-58.5171.5000112.3P792 S796 Q800 V823P792-I794 PolarHBondContact O-N 3.21Å; I794-S796 VanDerWaalsContact C-N 3.27Å; I794-Q800 WeakPolarHBondContact O-CG 3.39Å; I794-Q800 PolarHBondContact O-NE2 3.24Å; I794-V823 HydrophobicContact CD1-CG1 4.23Å; I794-V823 HydrophobicContact CG1-CG1 4.19Å
795K84.8Confident89.1Confident168 Ų16843.4 Ų43.473%0.7322%0.22SC*.THydrogen-bonded Turntrans-82.7-2.9175.6-58.7-176.7178.8-177.90113N793N793-K795 PolarHBondContact O-N 3.29Å; N793-K795 VanDerWaalsContact O-N 3.15Å; N793-K795 WeakPolarHBondContact OD1-CB 3.24Å; N793-K795 PolarHBondContact OD1-N 3.32Å
796S86.8Confident88.6Confident35 Ų3543.9 Ų43.925%0.24522%0.223CC..  trans-71.3130177.673.60000109.7N793 I794 E798 L799 Q800N793-S796 WeakPolarHBondContact O-CB 3.45Å; N793-S796 PolarHBondContact O-N 3.37Å; N793-S796 PolarHBondContact O-OG 3.25Å; I794-S796 VanDerWaalsContact C-N 3.27Å; S796-E798 PolarHBondContact O-N 3.1Å; S796-L799 PolarHBondContact O-N 2.98Å; S796-L799 WeakPolarHBondContact OG-CB 3.47Å; S796-L799 PolarHBondContact OG-N 3.24Å; S796-Q800 WeakPolarHBondContact O-CG 3.4Å; S796-Q800 PolarHBondContact O-N 3.16Å
797P85.7Confident88.2Confident45 Ų4545.7 Ų45.729%0.29223%0.233SC..Hα-helixtrans-62-35.8-177.221.7-31000111.7T452 M454 L799 Q800 E801T452-P797 HydrophobicContact CG2-CB 4.29Å; T452-P797 HydrophobicContact CG2-CG 3.69Å; M454-P797 HydrophobicContact SD-CB 3.84Å; M454-P797 VanDerWaalsContact SD-O 3.41Å; P797-L799 PolarHBondContact O-N 3.06Å; P797-Q800 PolarHBondContact O-N 3.28Å; P797-E801 PolarHBondContact O-N 3.01Å
798E86.9Confident87.7Confident54 Ų5452.7 Ų52.725%0.25226%0.263SS..Hα-helixtrans-59.9-44.3176.7-58.7-173.2179.600112.5K586 L588 S796 K802K586-E798 VanDerWaalsContact NZ-CD 3.25Å; K586-E798 IonicContact NZ-OE1 3.84Å; K586-E798 PolarHBondContact NZ-OE1 3.09Å; K586-E798 IonicContact NZ-OE2 2.92Å; K586-E798 PolarHBondContact NZ-OE2 3.46Å; L588-E798 HydrophobicContact CD2-CB 4.03Å; L588-E798 HydrophobicContact CD2-CG 4.3Å; S796-E798 PolarHBondContact O-N 3.1Å; E798-K802 WeakPolarHBondContact O-CB 3.47Å; E798-K802 PolarHBondContact O-N 2.74Å
799L87.6Confident87.1Confident19 Ų1958 Ų5810%0.09929%0.287CS..Hα-helixtrans-72.5-40.5179.7-17859000111.2P792 S796 P797 E801 K802 M803 L822 V823 L826P792-L799 HydrophobicContact CB-CD2 3.97Å; P792-L799 HydrophobicContact CG-CD2 3.88Å; S796-L799 PolarHBondContact O-N 2.98Å; S796-L799 WeakPolarHBondContact OG-CB 3.47Å; S796-L799 PolarHBondContact OG-N 3.24Å; P797-L799 PolarHBondContact O-N 3.06Å; L799-E801 VanDerWaalsContact C-N 3.31Å; L799-E801 PolarHBondContact O-N 3.11Å; L799-K802 PolarHBondContact O-N 3.37Å; L799-M803 HydrophobicContact CD1-CG 4.29Å; L799-M803 HydrophobicContact CD1-SD 4.48Å; L799-M803 HydrophobicContact CG-CG 4.37Å; L799-M803 HydrophobicContact CG-SD 4.02Å; L799-M803 WeakPolarHBondContact O-CB 3.23Å; L799-M803 WeakPolarHBondContact O-CG 3.46Å; L799-M803 PolarHBondContact O-N 2.95Å; L799-L822 HydrophobicContact CD1-CD2 4.16Å; L799-V823 HydrophobicContact CD1-CG2 4.46Å; L799-V823 HydrophobicContact CD2-CG2 4.19Å; L799-L826 HydrophobicContact CD1-CD1 4.45Å
800Q89.3Confident86.5Confident99 Ų9958.8 Ų58.846%0.46329%0.292SS..Hα-helixtrans-60-42.4177.4-71.9-179-13.600112I794 S796 P797 M803 S804I794-Q800 WeakPolarHBondContact O-CG 3.39Å; I794-Q800 PolarHBondContact O-NE2 3.24Å; S796-Q800 WeakPolarHBondContact O-CG 3.4Å; S796-Q800 PolarHBondContact O-N 3.16Å; P797-Q800 PolarHBondContact O-N 3.28Å; Q800-M803 PolarHBondContact O-N 3.19Å; Q800-S804 WeakPolarHBondContact O-CB 3.19Å; Q800-S804 PolarHBondContact O-N 3.45Å
801E87.6Confident85.7Confident40 Ų4062.3 Ų62.319%0.18731%0.314CS..Hα-helixtrans-70.5-38.8176.4-174.864.6-168.300111.9M454 R571 L590 P797 L799 M803 S804 Y805M454-E801 HydrophobicContact CE-CB 3.36Å; M454-E801 HydrophobicContact CE-CG 3.49Å; M454-E801 VanDerWaalsContact CE-CG 3.49Å; M454-E801 HydrophobicContact SD-CB 3.87Å; M454-E801 HydrophobicContact SD-CG 4.45Å; R571-E801 HydrophobicContact CG-CG 3.9Å; R571-E801 IonicContact CZ-OE1 2.71Å; R571-E801 VanDerWaalsContact CZ-OE1 3.29Å; R571-E801 IonicContact NE-OE1 3.49Å; R571-E801 PolarHBondContact NE-OE1 3.17Å; R571-E801 IonicContact NH2-OE1 3.63Å; R571-E801 PolarHBondContact NH2-OE1 3.1Å; L590-E801 HydrophobicContact CD1-CG 4.17Å; P797-E801 PolarHBondContact O-N 3.01Å; L799-E801 VanDerWaalsContact C-N 3.31Å; L799-E801 PolarHBondContact O-N 3.11Å; E801-M803 VanDerWaalsContact C-N 3.31Å; E801-M803 PolarHBondContact O-N 2.89Å; E801-S804 PolarHBondContact O-N 3.26Å; E801-Y805 WeakPolarHBondContact O-CB 3.39Å; E801-Y805 PolarHBondContact O-N 3.4Å
802K86.6Confident84.9Confident31 Ų3164.2 Ų64.214%0.13533%0.326CS..Hα-helixtrans-60.2-42.4173-173.3168.7-179170.40111.1L590 E622 E798 L799 Y805 L806 L822L590-K802 HydrophobicContact CD2-CB 4.26Å; E622-K802 WeakPolarHBondContact OE1-CE 3.41Å; E622-K802 IonicContact OE1-NZ 3.93Å; E622-K802 PolarHBondContact OE1-NZ 2.94Å; E798-K802 WeakPolarHBondContact O-CB 3.47Å; E798-K802 PolarHBondContact O-N 2.74Å; L799-K802 PolarHBondContact O-N 3.37Å; K802-Y805 PolarHBondContact O-N 3.29Å; K802-L806 HydrophobicContact CG-CD1 4.27Å; K802-L806 VanDerWaalsContact O-CG 3.29Å; K802-L806 WeakPolarHBondContact O-CG 3.26Å; K802-L806 PolarHBondContact O-N 2.87Å; K802-L822 HydrophobicContact CD-CD2 4.04Å; K802-L822 HydrophobicContact CG-CD2 4.08Å
803M88Confident83.6Confident29 Ų2965 Ų6514%0.14333%0.332CS..Hα-helixtrans-62.1-48.2174.7-69.5170.870.300111.5L799 Q800 E801 Y805 L806 D807 V823L799-M803 HydrophobicContact CD1-CG 4.29Å; L799-M803 HydrophobicContact CD1-SD 4.48Å; L799-M803 HydrophobicContact CG-CG 4.37Å; L799-M803 HydrophobicContact CG-SD 4.02Å; L799-M803 WeakPolarHBondContact O-CB 3.23Å; L799-M803 WeakPolarHBondContact O-CG 3.46Å; L799-M803 PolarHBondContact O-N 2.95Å; Q800-M803 PolarHBondContact O-N 3.19Å; E801-M803 VanDerWaalsContact C-N 3.31Å; E801-M803 PolarHBondContact O-N 2.89Å; M803-Y805 VanDerWaalsContact C-N 3.28Å; M803-Y805 PolarHBondContact O-N 3.4Å; M803-L806 PolarHBondContact O-N 3.3Å; M803-D807 WeakPolarHBondContact O-CB 3.41Å; M803-D807 VanDerWaalsContact O-CG 3.29Å; M803-D807 PolarHBondContact O-N 3.32Å; M803-V823 HydrophobicContact CE-CG2 4.02Å; M803-V823 HydrophobicContact CG-CG2 4.41Å; M803-V823 HydrophobicContact SD-CG2 3.68Å
804S87.6Confident82.3Confident39 Ų3968.9 Ų68.927%0.27335%0.346SS..Hα-helixtrans-58.4-38.8176.8177.10000112.5Q800 E801 K808Q800-S804 WeakPolarHBondContact O-CB 3.19Å; Q800-S804 PolarHBondContact O-N 3.45Å; E801-S804 PolarHBondContact O-N 3.26Å; S804-K808 WeakPolarHBondContact O-CD 3.35Å; S804-K808 VanDerWaalsContact O-CG 3.28Å; S804-K808 WeakPolarHBondContact O-CG 3.31Å; S804-K808 PolarHBondContact O-N 3.36Å
805Y86.8Confident81.1Confident17 Ų1768.2 Ų68.27%0.06736%0.362CS..Hα-helixtrans-65.7-50.3175.4177.9-94.7000111.8T568 L590 N591 E801 K802 M803 D807 K808 H809T568-Y805 VanDerWaalsContact O-CE2 3.26Å; T568-Y805 WeakPolarHBondContact O-CE2 3.32Å; L590-Y805 HydrophobicContact CB-CD1 4.12Å; L590-Y805 HydrophobicContact CB-CD2 4.3Å; L590-Y805 HydrophobicContact CB-CE1 4.42Å; L590-Y805 HydrophobicContact CB-CG 4.07Å; L590-Y805 HydrophobicContact CD1-CD2 3.94Å; L590-Y805 HydrophobicContact CD1-CG 3.99Å; N591-Y805 HydrophobicContact CB-CE1 4.22Å; N591-Y805 WeakPolarHBondContact CB-OH 3.47Å; N591-Y805 PolarHBondContact ND2-OH 2.91Å; E801-Y805 WeakPolarHBondContact O-CB 3.39Å; E801-Y805 PolarHBondContact O-N 3.4Å; K802-Y805 PolarHBondContact O-N 3.29Å; M803-Y805 VanDerWaalsContact C-N 3.28Å; M803-Y805 PolarHBondContact O-N 3.4Å; Y805-D807 VanDerWaalsContact C-N 3.34Å; Y805-D807 PolarHBondContact O-N 3.12Å; Y805-K808 PolarHBondContact O-N 2.85Å; Y805-H809 AromaticContact CD2-CD2 3.54Å; Y805-H809 AromaticContact CD2-NE2 3.96Å; Y805-H809 AromaticContact CE2-CD2 3.35Å; Y805-H809 WeakPolarHBondContact CE2-CD2 3.4Å; Y805-H809 AromaticContact CE2-NE2 3.61Å; Y805-H809 AromaticContact CZ-CD2 3.8Å; Y805-H809 PolarHBondContact O-CD2 3.1Å; Y805-H809 PolarHBondContact O-N 3.28Å
806L85Confident80.2Confident10 Ų1064.7 Ų64.75%0.05235%0.347CS..Hα-helixtrans-63.4-40.8-180-65.9173000111.8K802 M803 K808 H809 L810 P818 L822K802-L806 HydrophobicContact CG-CD1 4.27Å; K802-L806 VanDerWaalsContact O-CG 3.29Å; K802-L806 WeakPolarHBondContact O-CG 3.26Å; K802-L806 PolarHBondContact O-N 2.87Å; M803-L806 PolarHBondContact O-N 3.3Å; L806-K808 PolarHBondContact O-N 3.07Å; L806-H809 PolarHBondContact O-N 3.18Å; L806-L810 HydrophobicContact CB-CD1 4.27Å; L806-L810 HydrophobicContact CD2-CD1 3.59Å; L806-L810 HydrophobicContact CD2-CG 4.33Å; L806-L810 HydrophobicContact CG-CD1 4.45Å; L806-L810 WeakPolarHBondContact O-CB 3.28Å; L806-L810 PolarHBondContact O-N 2.9Å; L806-P818 HydrophobicContact CB-CB 4.11Å; L806-L822 HydrophobicContact CD1-CB 4.24Å; L806-L822 HydrophobicContact CD1-CD2 3.64Å; L806-L822 HydrophobicContact CD1-CG 4.36Å
807D86.9Confident79.9Confident40 Ų4065.9 Ų65.921%0.21435%0.35CS..Hα-helixtrans-62.7-28.4177.8-74.3-7.5000112.5M803 Y805 H812 N817 P818 G819M803-D807 WeakPolarHBondContact O-CB 3.41Å; M803-D807 VanDerWaalsContact O-CG 3.29Å; M803-D807 PolarHBondContact O-N 3.32Å; Y805-D807 VanDerWaalsContact C-N 3.34Å; Y805-D807 PolarHBondContact O-N 3.12Å; D807-H812 PolarHBondContact O-CE1 2.9Å; D807-N817 PolarHBondContact OD2-ND2 2.94Å; D807-P818 VanDerWaalsContact OD1-CD 3.31Å; D807-P818 WeakPolarHBondContact OD1-CD 3.22Å; D807-G819 PolarHBondContact OD1-N 3.17Å
808K85.6Confident79.7Confident147 Ų14764.3 Ų64.364%0.63934%0.34SS*.Hα-helixtrans-83.8-34.8177.2-73.4171.8-175.1171.70113.8S804 Y805 L806S804-K808 WeakPolarHBondContact O-CD 3.35Å; S804-K808 VanDerWaalsContact O-CG 3.28Å; S804-K808 WeakPolarHBondContact O-CG 3.31Å; S804-K808 PolarHBondContact O-N 3.36Å; Y805-K808 PolarHBondContact O-N 2.85Å; L806-K808 PolarHBondContact O-N 3.07Å
809H80.4Confident79.5Confident111 Ų11161.8 Ų61.851%0.51433%0.328SS..Hα-helixtrans-106.4-17.5-167.7-74.1-79.6000114.5Y805 L806Y805-H809 AromaticContact CD2-CD2 3.54Å; Y805-H809 AromaticContact CD2-NE2 3.96Å; Y805-H809 AromaticContact CE2-CD2 3.35Å; Y805-H809 WeakPolarHBondContact CE2-CD2 3.4Å; Y805-H809 AromaticContact CE2-NE2 3.61Å; Y805-H809 AromaticContact CZ-CD2 3.8Å; Y805-H809 PolarHBondContact O-CD2 3.1Å; Y805-H809 PolarHBondContact O-N 3.28Å; L806-H809 PolarHBondContact O-N 3.18Å
810L79.8Confident79.4Confident26 Ų2666.1 Ų66.114%0.13635%0.348CS..SBendtrans-105.1147.4177.9-67.7177.4000112.1Q621 L806 P818Q621-L810 HydrophobicContact CB-CD1 4.49Å; Q621-L810 HydrophobicContact CB-CD2 4.29Å; L806-L810 HydrophobicContact CB-CD1 4.27Å; L806-L810 HydrophobicContact CD2-CD1 3.59Å; L806-L810 HydrophobicContact CD2-CG 4.33Å; L806-L810 HydrophobicContact CG-CD1 4.45Å; L806-L810 WeakPolarHBondContact O-CB 3.28Å; L806-L810 PolarHBondContact O-N 2.9Å; L810-P818 HydrophobicContact CB-CB 4.21Å; L810-P818 HydrophobicContact CB-CG 3.98Å; L810-P818 HydrophobicContact CD1-CB 4.35Å
811P75.9Confident79.1Confident90 Ų9062.4 Ų62.458%0.58433%0.334SS*.  trans-65.9140.4175.627.9-33.6000110.7S813P811-S813 PolarHBondContact O-N 3.28Å
812H73.3Confident79Confident110 Ų11060.9 Ų60.951%0.50933%0.327SS..  trans-71.9111.2176.6-67.665.7000109D807D807-H812 PolarHBondContact O-CE1 2.9Å
813S59.3Low79.1Confident59 Ų5959.8 Ų59.841%0.41332%0.323SS..BIsolated β-bridgetrans-87.1122.1178.4-168.30000110P811 G815 K816P811-S813 PolarHBondContact O-N 3.28Å; S813-G815 VanDerWaalsContact C-N 3.27Å; S813-G815 PolarHBondContact O-N 3.39Å; S813-G815 VanDerWaalsContact O-N 3.11Å; S813-K816 PolarHBondContact O-N 3.26Å
814H58.5Low79.1Confident187 Ų18760.6 Ų60.687%0.86633%0.327SS*.THydrogen-bonded Turntrans48.140.8174.3-60.9-74.3000115.2K816H814-K816 PolarHBondContact O-N 2.86Å
815G60.3Low79Confident76 Ų7659 Ų5978%0.78432%0.315SS*.THydrogen-bonded Turntrans70.611.6176.700000115.4S813S813-G815 VanDerWaalsContact C-N 3.27Å; S813-G815 PolarHBondContact O-N 3.39Å; S813-G815 VanDerWaalsContact O-N 3.11Å
816K67.1Low79.1Confident95 Ų9560.5 Ų60.541%0.41332%0.324SS..BIsolated β-bridgetrans-104136.8171.7-69.6-172.5176.9-170.80110.8S813 H814S813-K816 PolarHBondContact O-N 3.26Å; H814-K816 PolarHBondContact O-N 2.86Å
817N80.4Confident79.3Confident59 Ų5960 Ų6032%0.31632%0.322SS..  trans-66.7129.1174-71.430.5000110D807 G819 Q820 A821D807-N817 PolarHBondContact OD2-ND2 2.94Å; N817-G819 PolarHBondContact O-N 3.44Å; N817-Q820 HydrophobicContact CB-CB 4.43Å; N817-Q820 HydrophobicContact CB-CG 4.18Å; N817-Q820 PolarHBondContact O-N 2.69Å; N817-A821 PolarHBondContact O-N 3.19Å; N817-A821 VanDerWaalsContact O-N 3.1Å
818P80.7Confident79.5Confident13 Ų1358.2 Ų58.28%0.08431%0.312CS..Hα-helixtrans-49.2-38.3174.8-29.635.2000113.8L806 D807 L810 A821 L822L806-P818 HydrophobicContact CB-CB 4.11Å; D807-P818 VanDerWaalsContact OD1-CD 3.31Å; D807-P818 WeakPolarHBondContact OD1-CD 3.22Å; L810-P818 HydrophobicContact CB-CB 4.21Å; L810-P818 HydrophobicContact CB-CG 3.98Å; L810-P818 HydrophobicContact CD1-CB 4.35Å; P818-A821 PolarHBondContact O-N 3.06Å; P818-L822 PolarHBondContact O-N 2.82Å
819G83.3Confident79.5Confident0 Ų052.8 Ų52.80%029%0.288CS..Hα-helixtrans-64.3-39.517700000113.5D807 N817 L822 V823D807-G819 PolarHBondContact OD1-N 3.17Å; N817-G819 PolarHBondContact O-N 3.44Å; G819-L822 WeakPolarHBondContact O-CB 3.46Å; G819-L822 PolarHBondContact O-N 3.23Å; G819-V823 WeakPolarHBondContact O-CG2 3.49Å; G819-V823 PolarHBondContact O-N 3.05Å
820Q84.1Confident79.9Confident110 Ų11048.5 Ų48.551%0.51427%0.272SS..Hα-helixtrans-69-40174.9-68.8-178.41.700111.3N817 L822 V823 E824N817-Q820 HydrophobicContact CB-CB 4.43Å; N817-Q820 HydrophobicContact CB-CG 4.18Å; N817-Q820 PolarHBondContact O-N 2.69Å; Q820-L822 VanDerWaalsContact C-N 3.32Å; Q820-L822 PolarHBondContact O-N 3.43Å; Q820-V823 PolarHBondContact O-N 3.01Å; Q820-E824 PolarHBondContact O-N 2.76Å; Q820-E824 VanDerWaalsContact O-N 3.17Å
821A84.1Confident80.4Confident21 Ų2147.3 Ų47.317%0.17427%0.266CS..Hα-helixtrans-60.1-42.7175.100000111.5N817 P818 V823 E824 N825N817-A821 PolarHBondContact O-N 3.19Å; N817-A821 VanDerWaalsContact O-N 3.1Å; P818-A821 PolarHBondContact O-N 3.06Å; A821-V823 PolarHBondContact O-N 2.98Å; A821-E824 PolarHBondContact O-N 3.38Å; A821-N825 VanDerWaalsContact O-CB 3.26Å; A821-N825 WeakPolarHBondContact O-CB 3.4Å; A821-N825 PolarHBondContact O-N 2.84Å; A821-N825 PolarHBondContact O-ND2 2.98Å
822L85.1Confident81Confident8 Ų843 Ų434%0.04224%0.238CC..Hα-helixtrans-54.8-49.9174.8175.469.7000111.4L799 K802 L806 P818 G819 Q820 E824 N825 L826L799-L822 HydrophobicContact CD1-CD2 4.16Å; K802-L822 HydrophobicContact CD-CD2 4.04Å; K802-L822 HydrophobicContact CG-CD2 4.08Å; L806-L822 HydrophobicContact CD1-CB 4.24Å; L806-L822 HydrophobicContact CD1-CD2 3.64Å; L806-L822 HydrophobicContact CD1-CG 4.36Å; P818-L822 PolarHBondContact O-N 2.82Å; G819-L822 WeakPolarHBondContact O-CB 3.46Å; G819-L822 PolarHBondContact O-N 3.23Å; Q820-L822 VanDerWaalsContact C-N 3.32Å; Q820-L822 PolarHBondContact O-N 3.43Å; L822-E824 PolarHBondContact O-N 3.44Å; L822-N825 PolarHBondContact O-N 3.26Å; L822-N825 VanDerWaalsContact O-N 3.12Å; L822-L826 HydrophobicContact CD1-CD1 4.16Å; L822-L826 HydrophobicContact CD1-CD2 4.49Å; L822-L826 HydrophobicContact CD1-CG 4.07Å; L822-L826 HydrophobicContact CD2-CD1 4.49Å; L822-L826 HydrophobicContact CG-CD1 3.99Å; L822-L826 HydrophobicContact CG-CG 4.3Å; L822-L826 WeakPolarHBondContact O-CG 3.49Å; L822-L826 PolarHBondContact O-N 3.41Å
823V88.4Confident81.6Confident8 Ų838.8 Ų38.85%0.04822%0.218CC..Hα-helixtrans-61.1-44.8-177.8171.40000111.6Y791 P792 I794 L799 M803 G819 Q820 A821 N825 C827Y791-V823 HydrophobicContact CD1-CG1 3.7Å; Y791-V823 HydrophobicContact CE1-CG1 4.16Å; P792-V823 HydrophobicContact CG-CG1 4.19Å; I794-V823 HydrophobicContact CD1-CG1 4.23Å; I794-V823 HydrophobicContact CG1-CG1 4.19Å; L799-V823 HydrophobicContact CD1-CG2 4.46Å; L799-V823 HydrophobicContact CD2-CG2 4.19Å; M803-V823 HydrophobicContact CE-CG2 4.02Å; M803-V823 HydrophobicContact CG-CG2 4.41Å; M803-V823 HydrophobicContact SD-CG2 3.68Å; G819-V823 WeakPolarHBondContact O-CG2 3.49Å; G819-V823 PolarHBondContact O-N 3.05Å; Q820-V823 PolarHBondContact O-N 3.01Å; A821-V823 PolarHBondContact O-N 2.98Å; V823-N825 VanDerWaalsContact C-N 3.3Å; V823-N825 PolarHBondContact O-N 3.4Å; V823-C827 PolarHBondContact O-N 3.44Å
824E88.1Confident83Confident47 Ų4736 Ų3622%0.2220%0.199CC..Hα-helixtrans-64.1-37.2174.9-67.6-176.9174.200112.1Y791 Q820 A821 L822 C827 M828 K863Y791-E824 HydrophobicContact CE1-CG 4.43Å; Q820-E824 PolarHBondContact O-N 2.76Å; Q820-E824 VanDerWaalsContact O-N 3.17Å; A821-E824 PolarHBondContact O-N 3.38Å; L822-E824 PolarHBondContact O-N 3.44Å; E824-C827 WeakPolarHBondContact O-CB 3.35Å; E824-C827 PolarHBondContact O-N 3.25Å; E824-M828 WeakPolarHBondContact O-CG 3.47Å; E824-M828 PolarHBondContact O-N 3.36Å; E824-K863 IonicContact OE2-NZ 3.38Å; E824-K863 PolarHBondContact OE2-NZ 2.84Å
825N86.8Confident84.4Confident4 Ų427.1 Ų27.12%0.02116%0.158CC..Hα-helixtrans-75.9-36.7-176.6-70.8-11.7000112.4P615 D618 A821 L822 V823 C827 M828 K829 K863P615-N825 HydrophobicContact CG-CB 3.91Å; P615-N825 VanDerWaalsContact CG-OD1 3.25Å; P615-N825 WeakPolarHBondContact CG-OD1 3.3Å; D618-N825 PolarHBondContact OD1-ND2 3.45Å; D618-N825 PolarHBondContact OD2-ND2 3.03Å; A821-N825 VanDerWaalsContact O-CB 3.26Å; A821-N825 WeakPolarHBondContact O-CB 3.4Å; A821-N825 PolarHBondContact O-N 2.84Å; A821-N825 PolarHBondContact O-ND2 2.98Å; L822-N825 PolarHBondContact O-N 3.26Å; L822-N825 VanDerWaalsContact O-N 3.12Å; V823-N825 VanDerWaalsContact C-N 3.3Å; V823-N825 PolarHBondContact O-N 3.4Å; N825-C827 VanDerWaalsContact C-N 3.3Å; N825-C827 PolarHBondContact O-N 2.89Å; N825-M828 PolarHBondContact O-N 3Å; N825-K829 VanDerWaalsContact O-CB 3.29Å; N825-K829 WeakPolarHBondContact O-CB 3.21Å; N825-K829 WeakPolarHBondContact O-CG 3.12Å; N825-K829 PolarHBondContact O-N 3.15Å; N825-K863 WeakPolarHBondContact OD1-CD 3.49Å; N825-K863 WeakPolarHBondContact OD1-CE 3.44Å; N825-K863 PolarHBondContact OD1-NZ 3.01Å
826L87.1Confident85.4Confident50 Ų5023.9 Ų23.926%0.26212%0.124SC..Hα-helixtrans-58.3-44.9169.6-71.7173.3000111P792 L799 L822 A830P792-L826 HydrophobicContact CG-CB 4.42Å; P792-L826 HydrophobicContact CG-CD1 4.23Å; L799-L826 HydrophobicContact CD1-CD1 4.45Å; L822-L826 HydrophobicContact CD1-CD1 4.16Å; L822-L826 HydrophobicContact CD1-CD2 4.49Å; L822-L826 HydrophobicContact CD1-CG 4.07Å; L822-L826 HydrophobicContact CD2-CD1 4.49Å; L822-L826 HydrophobicContact CG-CD1 3.99Å; L822-L826 HydrophobicContact CG-CG 4.3Å; L822-L826 WeakPolarHBondContact O-CG 3.49Å; L822-L826 PolarHBondContact O-N 3.41Å; L826-A830 PolarHBondContact O-N 3.44Å
827C90.4Very high86Confident0 Ų020.6 Ų20.60%011%0.109CC..Hα-helixtrans-59.7-51.6176179.70000111.7P790 Y791 V823 E824 N825 A830 V831P790-C827 VanDerWaalsContact CD-SG 3.54Å; Y791-C827 HydrophobicContact CD1-CB 3.94Å; Y791-C827 HydrophobicContact CE1-CB 3.99Å; Y791-C827 HydrophobicContact CG-CB 4.35Å; V823-C827 PolarHBondContact O-N 3.44Å; E824-C827 WeakPolarHBondContact O-CB 3.35Å; E824-C827 PolarHBondContact O-N 3.25Å; N825-C827 VanDerWaalsContact C-N 3.3Å; N825-C827 PolarHBondContact O-N 2.89Å; C827-A830 PolarHBondContact O-N 3.31Å; C827-V831 WeakPolarHBondContact O-CG2 3.21Å; C827-V831 PolarHBondContact O-N 2.97Å; C827-V831 VanDerWaalsContact O-N 3.09Å
828M90.1Very high86.1Confident2 Ų217.8 Ų17.81%0.019%0.094CC..Hα-helixtrans-70.5-33.8-176.7-69.2-54.8-58.900113.2M789 E824 N825 A830 V831 N832 Y855 T860 K863 L864M789-M828 HydrophobicContact CE-SD 3.83Å; E824-M828 WeakPolarHBondContact O-CG 3.47Å; E824-M828 PolarHBondContact O-N 3.36Å; N825-M828 PolarHBondContact O-N 3Å; M828-A830 VanDerWaalsContact C-N 3.33Å; M828-A830 PolarHBondContact O-N 3.21Å; M828-V831 PolarHBondContact O-N 3.07Å; M828-N832 VanDerWaalsContact O-CB 3.28Å; M828-N832 WeakPolarHBondContact O-CB 3.31Å; M828-N832 PolarHBondContact O-N 3.42Å; M828-N832 PolarHBondContact O-ND2 2.94Å; M828-N832 PolarHBondContact O-OD1 3.47Å; M828-Y855 HydrophobicContact SD-CE1 4.21Å; M828-T860 HydrophobicContact CE-CG2 4.25Å; M828-T860 HydrophobicContact SD-CG2 3.65Å; M828-K863 HydrophobicContact CB-CB 4.01Å; M828-K863 HydrophobicContact CB-CD 4.39Å; M828-K863 HydrophobicContact CE-CB 4.31Å; M828-K863 HydrophobicContact CG-CB 3.86Å; M828-K863 HydrophobicContact CG-CD 3.89Å; M828-L864 HydrophobicContact CE-CD2 3.5Å; M828-L864 HydrophobicContact CE-CG 3.94Å
829K86.6Confident86.1Confident32 Ų3217.2 Ų17.214%0.1399%0.091CC..Hα-helixtrans-58.3-46.1171.7-78174.7-179.9-178.60111N825 V831 N832 Q833N825-K829 VanDerWaalsContact O-CB 3.29Å; N825-K829 WeakPolarHBondContact O-CB 3.21Å; N825-K829 WeakPolarHBondContact O-CG 3.12Å; N825-K829 PolarHBondContact O-N 3.15Å; K829-V831 PolarHBondContact O-N 3.2Å; K829-N832 PolarHBondContact O-N 2.95Å; K829-Q833 WeakPolarHBondContact O-CB 3.4Å; K829-Q833 VanDerWaalsContact O-CG 3.26Å; K829-Q833 WeakPolarHBondContact O-CG 3.11Å; K829-Q833 PolarHBondContact O-N 3.17Å
830A88.7Confident85.9Confident22 Ų2219.5 Ų19.518%0.18210%0.099CC..Hα-helixtrans-66.3-37.8179.600000112.7V766 P790 L826 C827 M828 S834V766-A830 HydrophobicContact CG1-CB 3.56Å; P790-A830 HydrophobicContact CG-CB 4.27Å; L826-A830 PolarHBondContact O-N 3.44Å; C827-A830 PolarHBondContact O-N 3.31Å; M828-A830 VanDerWaalsContact C-N 3.33Å; M828-A830 PolarHBondContact O-N 3.21Å; A830-S834 PolarHBondContact O-N 2.87Å; A830-S834 PolarHBondContact O-OG 3.37Å
831V90.8Very high85.8Confident0 Ų018 Ų180%09%0.092CC..Hα-helixtrans-63.8-50.2172.6173.20000110.8M786 P790 C827 M828 K829 Q833 S834 I835 L850 Y855M786-V831 HydrophobicContact CG-CG1 4.47Å; M786-V831 HydrophobicContact CG-CG2 4.46Å; M786-V831 HydrophobicContact SD-CG2 4.48Å; P790-V831 HydrophobicContact CG-CG2 3.75Å; C827-V831 WeakPolarHBondContact O-CG2 3.21Å; C827-V831 PolarHBondContact O-N 2.97Å; C827-V831 VanDerWaalsContact O-N 3.09Å; M828-V831 PolarHBondContact O-N 3.07Å; K829-V831 PolarHBondContact O-N 3.2Å; V831-Q833 VanDerWaalsContact C-N 3.31Å; V831-Q833 PolarHBondContact O-N 2.92Å; V831-S834 PolarHBondContact O-N 3.09Å; V831-I835 HydrophobicContact CG1-CD1 4.4Å; V831-I835 HydrophobicContact CG1-CG2 4.33Å; V831-I835 WeakPolarHBondContact O-CG1 3.42Å; V831-I835 PolarHBondContact O-N 3.4Å; V831-L850 HydrophobicContact CG1-CD2 4.47Å; V831-Y855 HydrophobicContact CG1-CE1 4.31Å; V831-Y855 HydrophobicContact CG2-CE1 4.46Å; V831-Y855 WeakPolarHBondContact CG2-OH 3.45Å
832N88Confident85.6Confident1 Ų124.1 Ų24.11%0.00511%0.111CC..Hα-helixtrans-59.8-40.3-179-70.4-15.5000112T612 Q614 M828 K829 S834 I835 G836 K863 L864 P865T612-N832 HydrophobicContact CG2-CB 4.46Å; Q614-N832 PolarHBondContact O-ND2 3.32Å; M828-N832 VanDerWaalsContact O-CB 3.28Å; M828-N832 WeakPolarHBondContact O-CB 3.31Å; M828-N832 PolarHBondContact O-N 3.42Å; M828-N832 PolarHBondContact O-ND2 2.94Å; M828-N832 PolarHBondContact O-OD1 3.47Å; K829-N832 PolarHBondContact O-N 2.95Å; N832-S834 VanDerWaalsContact C-N 3.33Å; N832-S834 PolarHBondContact O-N 3.01Å; N832-I835 WeakPolarHBondContact O-CG1 3.37Å; N832-G836 PolarHBondContact O-N 3.07Å; N832-K863 PolarHBondContact ND2-O 3.47Å; N832-L864 WeakPolarHBondContact OD1-CD2 3.22Å; N832-P865 HydrophobicContact CB-CG 4.45Å; N832-P865 VanDerWaalsContact OD1-CD 3.28Å; N832-P865 WeakPolarHBondContact OD1-CD 3.18Å
833Q86.2Confident85.5Confident20 Ų2026.1 Ų26.19%0.09313%0.133CC..Hα-helixtrans-63.2-37.7173.8-75.4174.830.500113H376 T612 K829 V831 R837H376-Q833 PolarHBondContact CD2-NE2 2.75Å; T612-Q833 HydrophobicContact CG2-CG 4.47Å; T612-Q833 WeakPolarHBondContact OG1-CG 3.38Å; K829-Q833 WeakPolarHBondContact O-CB 3.4Å; K829-Q833 VanDerWaalsContact O-CG 3.26Å; K829-Q833 WeakPolarHBondContact O-CG 3.11Å; K829-Q833 PolarHBondContact O-N 3.17Å; V831-Q833 VanDerWaalsContact C-N 3.31Å; V831-Q833 PolarHBondContact O-N 2.92Å; Q833-R837 WeakPolarHBondContact O-CG 3.5Å; Q833-R837 PolarHBondContact O-NE 3.39Å
834S88.1Confident85.5Confident1 Ų125.8 Ų25.81%0.00713%0.131CC..Hα-helixtrans-73.5-45.3-178.9-57.20000111.4A830 V831 N832 R837A830-S834 PolarHBondContact O-N 2.87Å; A830-S834 PolarHBondContact O-OG 3.37Å; V831-S834 PolarHBondContact O-N 3.09Å; N832-S834 VanDerWaalsContact C-N 3.33Å; N832-S834 PolarHBondContact O-N 3.01Å; S834-R837 PolarHBondContact O-N 2.83Å
835I87.6Confident85.6Confident1 Ų124.6 Ų24.61%0.00513%0.125CC..Hα-helixtrans-73.2-31.8-178.368.5-172.7000112.7V784 M786 V831 N832 R837 A838 I848 L850 L864 I868V784-I835 HydrophobicContact CG1-CG2 4.47Å; M786-I835 HydrophobicContact CE-CG2 4.44Å; V831-I835 HydrophobicContact CG1-CD1 4.4Å; V831-I835 HydrophobicContact CG1-CG2 4.33Å; V831-I835 WeakPolarHBondContact O-CG1 3.42Å; V831-I835 PolarHBondContact O-N 3.4Å; N832-I835 WeakPolarHBondContact O-CG1 3.37Å; I835-R837 PolarHBondContact O-N 2.86Å; I835-A838 PolarHBondContact O-N 3.15Å; I835-I848 HydrophobicContact CB-CD1 4.15Å; I835-I848 HydrophobicContact CB-CG2 4.26Å; I835-I848 HydrophobicContact CG2-CG2 3.81Å; I835-L850 HydrophobicContact CG2-CD2 4.45Å; I835-L864 HydrophobicContact CD1-CD2 4.15Å; I835-I868 HydrophobicContact CD1-CD1 3.42Å; I835-I868 VanDerWaalsContact CD1-CD1 3.42Å; I835-I868 HydrophobicContact CG1-CD1 3.79Å
836G81.2Confident85.9Confident7 Ų724.4 Ų24.47%0.07212%0.124CC..THydrogen-bonded Turntrans-66.2-1.3177.200000114.5T41 N832T41-G836 PolarHBondContact OG1-O 3.11Å; N832-G836 PolarHBondContact O-N 3.07Å
837R80.9Confident86.3Confident27 Ų2722 Ų2210%0.10211%0.111CC..THydrogen-bonded Turntrans-88.7-20.1180-66.6179.5-177-63.7-14.2114.6S771 I774 F776 Q833 S834 I835 I839 R840S771-R837 PolarHBondContact O-NE 3.18Å; S771-R837 PolarHBondContact O-NH2 3.08Å; I774-R837 WeakPolarHBondContact O-CD 3.43Å; I774-R837 PolarHBondContact O-NH1 3.03Å; F776-R837 HydrophobicContact CD2-CB 3.96Å; F776-R837 PolarHBondContact N-O 3.38Å; Q833-R837 WeakPolarHBondContact O-CG 3.5Å; Q833-R837 PolarHBondContact O-NE 3.39Å; S834-R837 PolarHBondContact O-N 2.83Å; I835-R837 PolarHBondContact O-N 2.86Å; R837-I839 VanDerWaalsContact C-N 3.33Å; R837-R840 PolarHBondContact O-NE 3.35Å
838A82.4Confident86.5Confident0 Ų022 Ų220%011%0.111CC..SBendtrans-76.7-17-170.200000114.4V784 I835V784-A838 HydrophobicContact CG2-CB 3.55Å; I835-A838 PolarHBondContact O-N 3.15Å
839I81.1Confident86.8Confident1 Ų122 Ų221%0.00511%0.111CC..  trans-128.7131.8-173.3-67.3162.9000108.5H641 I643 I648 R837 W867H641-I839 VanDerWaalsContact CE1-CG2 3.44Å; H641-I839 WeakPolarHBondContact CE1-CG2 3.36Å; I643-I839 HydrophobicContact CB-CG2 4.33Å; I643-I839 HydrophobicContact CD1-CB 4.48Å; I643-I839 HydrophobicContact CD1-CD1 3.74Å; I643-I839 HydrophobicContact CD1-CG1 4.05Å; I643-I839 HydrophobicContact CD1-CG2 3.6Å; I643-I839 HydrophobicContact CG1-CG2 4.42Å; I648-I839 HydrophobicContact CB-CD1 4.22Å; I648-I839 HydrophobicContact CD1-CD1 3.72Å; I648-I839 HydrophobicContact CG1-CD1 4.1Å; R837-I839 VanDerWaalsContact C-N 3.33Å; I839-W867 HydrophobicContact CD1-CH2 3.95Å; I839-W867 HydrophobicContact CD1-CZ3 3.75Å
840R78.2Confident87.2Confident47 Ų4720.6 Ų20.618%0.17711%0.105CC..  trans-130.9-23.7-174.7-65.4-63.6170161.8-0.3117.1G42 N775 R837 D844G42-R840 WeakPolarHBondContact CA-O 3.42Å; N775-R840 VanDerWaalsContact CG-NH2 3.27Å; N775-R840 PolarHBondContact OD1-NH1 3.14Å; N775-R840 PolarHBondContact OD1-NH2 3.31Å; R837-R840 PolarHBondContact O-NE 3.35Å; R840-D844 PolarHBondContact N-OD2 3.38Å
841H81.4Confident87.5Confident79 Ų7919.6 Ų19.637%0.36610%0.097SC..SBendtrans-147.9167.417856.954.7000111.2D778 G843 D844D778-H841 IonicContact OD1-CE1 2.86Å; D778-H841 PolarHBondContact OD1-CE1 2.94Å; D778-H841 VanDerWaalsContact OD1-CE1 3.29Å; D778-H841 IonicContact OD1-NE2 3.12Å; D778-H841 PolarHBondContact OD1-NE2 3.38Å; D778-H841 IonicContact OD2-NE2 3.16Å; H841-G843 PolarHBondContact ND1-N 3.47Å; H841-G843 PolarHBondContact O-N 2.93Å; H841-G843 VanDerWaalsContact O-N 3.09Å; H841-D844 PolarHBondContact CE1-N 3.16Å; H841-D844 PolarHBondContact ND1-N 3.31Å; H841-D844 WeakPolarHBondContact O-CB 3.37Å; H841-D844 PolarHBondContact O-N 3.37Å
842R81.6Confident87.7Confident150 Ų15019.6 Ų19.657%0.56610%0.097SC*.THydrogen-bonded Turntrans-52.5-34-177.471.6-177.3-178.1-170.44.8114.5Y15 V642 P644 N647 D844Y15-R842 PolarHBondContact OH-NH1 3.38Å; V642-R842 HydrophobicContact CG1-CB 3.82Å; P644-R842 WeakPolarHBondContact CD-O 3.05Å; N647-R842 PolarHBondContact ND2-O 3.1Å; R842-D844 VanDerWaalsContact C-N 3.35Å
843G82.1Confident88Confident50 Ų5024 Ų2452%0.51511%0.113SC..THydrogen-bonded Turntrans-85.8-2.4-179.700000114.9H841H841-G843 PolarHBondContact ND1-N 3.47Å; H841-G843 PolarHBondContact O-N 2.93Å; H841-G843 VanDerWaalsContact O-N 3.09Å
844D88.1Confident88.3Confident0 Ų024 Ų240%011%0.113CC..  trans-82.7156.9-176.5-156.8-4.2000110I643 N647 D778 R782 R840 H841 R842I643-D844 WeakPolarHBondContact CD1-O 3.4Å; N647-D844 VanDerWaalsContact CB-O 3.31Å; N647-D844 WeakPolarHBondContact CB-O 3.48Å; N647-D844 PolarHBondContact ND2-O 2.77Å; N647-D844 VanDerWaalsContact ND2-O 3.12Å; D778-D844 WeakPolarHBondContact CA-OD1 3.49Å; D778-D844 PolarHBondContact N-OD2 3.1Å; R782-D844 IonicContact CZ-OD1 3.35Å; R782-D844 IonicContact NH1-OD1 2.76Å; R782-D844 PolarHBondContact NH1-OD1 3.21Å; R840-D844 PolarHBondContact N-OD2 3.38Å; H841-D844 PolarHBondContact CE1-N 3.16Å; H841-D844 PolarHBondContact ND1-N 3.31Å; H841-D844 WeakPolarHBondContact O-CB 3.37Å; H841-D844 PolarHBondContact O-N 3.37Å; R842-D844 VanDerWaalsContact C-N 3.35Å
845Y91.4Very high88.6Confident23 Ų2324 Ų249%0.0911%0.112CC..  trans-146.1140.8175.969-87.7000111.7N647 R782 F888 F889 K892N647-Y845 CarbonylContact O-C 3.6Å; N647-Y845 WeakPolarHBondContact O-CA 3.25Å; N647-Y845 VanDerWaalsContact O-CB 3.23Å; N647-Y845 WeakPolarHBondContact O-CB 3.2Å; R782-Y845 VanDerWaalsContact CZ-CE1 3.43Å; R782-Y845 VanDerWaalsContact NH1-CD1 3.35Å; R782-Y845 VanDerWaalsContact NH1-CE1 3.34Å; R782-Y845 PolarHBondContact NH1-O 3.43Å; Y845-F888 HydrophobicContact CD2-CE1 4.12Å; Y845-F888 HydrophobicContact CD2-CZ 4.22Å; Y845-F889 HydrophobicContact CD2-CE1 4.43Å; Y845-F889 HydrophobicContact CE2-CD1 4.17Å; Y845-F889 HydrophobicContact CE2-CE1 4.1Å; Y845-K892 HydrophobicContact CD1-CD 4.46Å; Y845-K892 HydrophobicContact CD2-CB 4.22Å; Y845-K892 HydrophobicContact CD2-CD 4.33Å; Y845-K892 HydrophobicContact CD2-CG 3.79Å; Y845-K892 HydrophobicContact CE2-CB 3.9Å; Y845-K892 HydrophobicContact CE2-CG 4.01Å; Y845-K892 HydrophobicContact CG-CD 4.17Å; Y845-K892 HydrophobicContact CG-CG 4.14Å
846S92.6Very high88.8Confident0 Ų025.5 Ų25.50%013%0.125CC..EExtended strand (participates in β ladder)trans-155.7149.5-179.6-172.50000111.5N647 I648 L649 G781 R782N647-S846 PolarHBondContact O-N 3.02Å; N647-S846 VanDerWaalsContact O-N 3.08Å; I648-S846 WeakPolarHBondContact CA-O 3.49Å; L649-S846 PolarHBondContact N-O 2.78Å; G781-S846 PolarHBondContact O-OG 2.85Å; R782-S846 WeakPolarHBondContact O-CA 3.48Å; R782-S846 PolarHBondContact O-OG 3.12Å
847S94.4Very high89.3Confident0 Ų030.6 Ų30.60%014%0.142CC..EExtended strand (participates in β ladder)trans-100.7139.8168.963.90000110.9L649 R782 C783 V784 L885 F889L649-S847 CarbonylContact O-C 3.59Å; L649-S847 VanDerWaalsContact O-CA 3.29Å; L649-S847 WeakPolarHBondContact O-CA 3.33Å; R782-S847 PolarHBondContact O-N 3.3Å; R782-S847 PolarHBondContact O-OG 3.38Å; C783-S847 CarbonylContact C-O 3.54Å; C783-S847 VanDerWaalsContact CA-O 3.26Å; C783-S847 WeakPolarHBondContact CA-O 3.41Å; C783-S847 WeakPolarHBondContact CB-OG 3.36Å; C783-S847 PolarHBondContact SG-OG 3.42Å; V784-S847 PolarHBondContact N-O 3.39Å; S847-L885 WeakPolarHBondContact OG-CD1 3.38Å; S847-F889 WeakPolarHBondContact OG-CE2 3.35Å; S847-F889 WeakPolarHBondContact OG-CZ 3.48Å
848I95.1Very high89.7Confident0 Ų034.6 Ų34.60%017%0.171CC..EExtended strand (participates in β ladder)trans-114.9124.4176.1-59.5164.8000107.7I648 L649 P650 L651 V784 I835 L850 I868I648-I848 HydrophobicContact CD1-CD1 3.83Å; L649-I848 PolarHBondContact O-N 3.39Å; P650-I848 CarbonylContact C-O 3.57Å; P650-I848 WeakPolarHBondContact CA-O 3.29Å; P650-I848 HydrophobicContact CB-CB 4.46Å; L651-I848 PolarHBondContact N-O 3.4Å; V784-I848 CarbonylContact O-C 3.5Å; V784-I848 WeakPolarHBondContact O-CA 3.13Å; I835-I848 HydrophobicContact CB-CD1 4.15Å; I835-I848 HydrophobicContact CB-CG2 4.26Å; I835-I848 HydrophobicContact CG2-CG2 3.81Å; I848-L850 HydrophobicContact CG2-CD2 3.97Å; I848-L850 HydrophobicContact CG2-CG 4.32Å; I848-I868 HydrophobicContact CD1-CD1 4.11Å
849V95.9Very high89.9Confident2 Ų236.7 Ų36.71%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-116.5112.4-179.8-1750000109.1L653 I685 V784 V785 M786L653-V849 HydrophobicContact CD1-CG1 3.35Å; L653-V849 HydrophobicContact CG-CG1 3.8Å; I685-V849 HydrophobicContact CD1-CG1 4.21Å; I685-V849 HydrophobicContact CD1-CG2 4.31Å; V784-V849 PolarHBondContact O-N 3.08Å; V785-V849 CarbonylContact C-O 3.59Å; V785-V849 WeakPolarHBondContact CA-O 3.49Å; V785-V849 HydrophobicContact CG2-CB 4.37Å; M786-V849 PolarHBondContact N-O 3.05Å
850L96.1Very high90.3Very high1 Ų137 Ų371%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-97.2106.2178.1-56.6-179.4000109.2L651 V652 L653 M786 V831 I835 I848 D852 Y855 L864L651-L850 PolarHBondContact O-N 2.99Å; V652-L850 HydrophobicContact CG2-CB 4.18Å; V652-L850 HydrophobicContact CG2-CD1 4.02Å; L653-L850 PolarHBondContact N-O 2.98Å; M786-L850 HydrophobicContact CB-CD2 3.68Å; M786-L850 HydrophobicContact CG-CD2 4.25Å; V831-L850 HydrophobicContact CG1-CD2 4.47Å; I835-L850 HydrophobicContact CG2-CD2 4.45Å; I848-L850 HydrophobicContact CG2-CD2 3.97Å; I848-L850 HydrophobicContact CG2-CG 4.32Å; L850-D852 PolarHBondContact O-N 3.07Å; L850-Y855 HydrophobicContact CB-CD1 4.5Å; L850-Y855 HydrophobicContact CB-CD2 3.72Å; L850-Y855 HydrophobicContact CB-CE2 4.04Å; L850-Y855 HydrophobicContact CB-CG 3.98Å; L850-Y855 HydrophobicContact CD1-CD1 4.01Å; L850-Y855 HydrophobicContact CD1-CE1 4.38Å; L850-Y855 HydrophobicContact CD1-CG 4.17Å; L850-L864 HydrophobicContact CD1-CD1 4.21Å
851C95.1Very high90.7Very high2 Ų236.4 Ų36.41%0.01419%0.191CC..EExtended strand (participates in β ladder)trans-94.782.4-176.6-61.10000110.6L662 F664 M786 G788L662-C851 HydrophobicContact CD1-CB 4.3Å; F664-C851 WeakPolarHBondContact CD2-O 3.37Å; F664-C851 HydrophobicContact CE2-CB 4.23Å; F664-C851 WeakPolarHBondContact CE2-O 3.46Å; M786-C851 WeakPolarHBondContact O-CB 3.44Å; M786-C851 PolarHBondContact O-N 3.21Å; G788-C851 WeakPolarHBondContact CA-O 3.34Å; G788-C851 PolarHBondContact N-O 2.87Å
852D94.4Very high91Very high0 Ų035 Ų350%019%0.194CC..  trans-174.1134.4167.1-160.3-67.4000109L653 F664 M789 L850 R854 Y855L653-D852 CarbonylContact O-C 3.58Å; L653-D852 PolarHBondContact O-N 3.45Å; F664-D852 HydrophobicContact CD2-CB 4.38Å; F664-D852 PolarHBondContact N-OD2 2.96Å; M789-D852 HydrophobicContact CG-CB 4.4Å; L850-D852 PolarHBondContact O-N 3.07Å; D852-R854 PolarHBondContact O-N 3.36Å; D852-R854 VanDerWaalsContact O-N 3.12Å; D852-R854 WeakPolarHBondContact OD1-CB 3.32Å; D852-R854 WeakPolarHBondContact OD1-CG 3.41Å; D852-R854 IonicContact OD1-CZ 3.38Å; D852-R854 PolarHBondContact OD1-N 2.82Å; D852-R854 IonicContact OD1-NE 3.53Å; D852-R854 PolarHBondContact OD1-NE 3.13Å; D852-R854 IonicContact OD1-NH2 2.84Å; D852-R854 IonicContact OD2-CZ 2.9Å; D852-R854 IonicContact OD2-NE 2.67Å; D852-R854 PolarHBondContact OD2-NE 3.46Å; D852-R854 IonicContact OD2-NH2 3.87Å; D852-R854 PolarHBondContact OD2-NH2 3.01Å; D852-Y855 HydrophobicContact CB-CD2 3.55Å; D852-Y855 HydrophobicContact CB-CE2 3.75Å; D852-Y855 PolarHBondContact O-N 3.27Å
853R93.8Very high91.3Very high92 Ų9229.2 Ų29.235%0.34717%0.172SC..G310 helixtrans-59.9-25.2175.771.3178.9-18090.4-0.8113C654 L662 D663 Y855 A856C654-R853 HydrophobicContact CB-CB 4.11Å; L662-R853 PolarHBondContact O-N 3.26Å; D663-R853 IonicContact OD2-NH2 2.67Å; R853-Y855 PolarHBondContact O-N 2.95Å; R853-A856 VanDerWaalsContact O-CB 3.26Å; R853-A856 WeakPolarHBondContact O-CB 3.49Å; R853-A856 PolarHBondContact O-N 3.43Å
854R93.4Very high91.5Very high21 Ų2126.9 Ų26.98%0.07915%0.148CC..G310 helixtrans-66.8-24.1-178.8-65.8175.3-70.2176-4.2112.5F664 M789 D852 A856 R857F664-R854 PolarHBondContact O-NH2 3.15Å; M789-R854 HydrophobicContact SD-CB 3.57Å; M789-R854 VanDerWaalsContact SD-CB 3.57Å; D852-R854 PolarHBondContact O-N 3.36Å; D852-R854 VanDerWaalsContact O-N 3.12Å; D852-R854 WeakPolarHBondContact OD1-CB 3.32Å; D852-R854 WeakPolarHBondContact OD1-CG 3.41Å; D852-R854 IonicContact OD1-CZ 3.38Å; D852-R854 PolarHBondContact OD1-N 2.82Å; D852-R854 IonicContact OD1-NE 3.53Å; D852-R854 PolarHBondContact OD1-NE 3.13Å; D852-R854 IonicContact OD1-NH2 2.84Å; D852-R854 IonicContact OD2-CZ 2.9Å; D852-R854 IonicContact OD2-NE 2.67Å; D852-R854 PolarHBondContact OD2-NE 3.46Å; D852-R854 IonicContact OD2-NH2 3.87Å; D852-R854 PolarHBondContact OD2-NH2 3.01Å; R854-A856 PolarHBondContact O-N 3.29Å; R854-R857 WeakPolarHBondContact O-CB 3.37Å; R854-R857 WeakPolarHBondContact O-CG 3.15Å; R854-R857 PolarHBondContact O-N 3.46Å
855Y93.4Very high91.3Very high1 Ų127.1 Ų27.10%0.00415%0.149CC..G310 helixtrans-64.6-22.7172.2-72.1-69.3000112.6M786 G788 M789 M828 V831 L850 D852 R853 R857 T860 L861M786-Y855 WeakPolarHBondContact CG-OH 3.02Å; G788-Y855 WeakPolarHBondContact O-CE2 3.41Å; G788-Y855 PolarHBondContact O-OH 3.36Å; M789-Y855 HydrophobicContact CE-CD1 4.36Å; M789-Y855 HydrophobicContact CE-CE1 4.03Å; M789-Y855 HydrophobicContact CG-CD2 4.41Å; M789-Y855 HydrophobicContact CG-CE1 4.15Å; M789-Y855 HydrophobicContact CG-CE2 3.79Å; M828-Y855 HydrophobicContact SD-CE1 4.21Å; V831-Y855 HydrophobicContact CG1-CE1 4.31Å; V831-Y855 HydrophobicContact CG2-CE1 4.46Å; V831-Y855 WeakPolarHBondContact CG2-OH 3.45Å; L850-Y855 HydrophobicContact CB-CD1 4.5Å; L850-Y855 HydrophobicContact CB-CD2 3.72Å; L850-Y855 HydrophobicContact CB-CE2 4.04Å; L850-Y855 HydrophobicContact CB-CG 3.98Å; L850-Y855 HydrophobicContact CD1-CD1 4.01Å; L850-Y855 HydrophobicContact CD1-CE1 4.38Å; L850-Y855 HydrophobicContact CD1-CG 4.17Å; D852-Y855 HydrophobicContact CB-CD2 3.55Å; D852-Y855 HydrophobicContact CB-CE2 3.75Å; D852-Y855 PolarHBondContact O-N 3.27Å; R853-Y855 PolarHBondContact O-N 2.95Å; Y855-R857 PolarHBondContact O-N 2.93Å; Y855-T860 HydrophobicContact CD1-CG2 4.04Å; Y855-L861 WeakPolarHBondContact O-CD2 3.47Å; Y855-L861 WeakPolarHBondContact O-CG 3.26Å
856A92.2Very high90.9Very high33 Ų3328.2 Ų28.227%0.27316%0.163SC..G310 helixtrans-71-12.7177.600000113.7V652 R853 R854 T874V652-A856 HydrophobicContact CG1-CB 4.42Å; R853-A856 VanDerWaalsContact O-CB 3.26Å; R853-A856 WeakPolarHBondContact O-CB 3.49Å; R853-A856 PolarHBondContact O-N 3.43Å; R854-A856 PolarHBondContact O-N 3.29Å; A856-T874 HydrophobicContact CB-CG2 3.61Å
857R92.1Very high90.3Very high113 Ų11329.9 Ų29.943%0.42617%0.169SC..SBendtrans-66.1132-179.5-65.8175-177.3-177.5-0.1110R854 Y855 A859 T860 L861R854-R857 WeakPolarHBondContact O-CB 3.37Å; R854-R857 WeakPolarHBondContact O-CG 3.15Å; R854-R857 PolarHBondContact O-N 3.46Å; Y855-R857 PolarHBondContact O-N 2.93Å; R857-A859 VanDerWaalsContact C-N 3.25Å; R857-A859 PolarHBondContact O-N 2.98Å; R857-A859 VanDerWaalsContact O-N 3.16Å; R857-T860 PolarHBondContact O-N 2.99Å; R857-L861 PolarHBondContact O-N 3.25Å
858P88.9Confident90Very high111 Ų11129.9 Ų29.972%0.72117%0.17SC*.Hα-helixtrans-55.4-38.3-179.3-28.334.9000113.8T860 L861 A862P858-T860 VanDerWaalsContact C-N 3.33Å; P858-T860 PolarHBondContact O-N 2.95Å; P858-L861 PolarHBondContact O-N 3.4Å; P858-A862 WeakPolarHBondContact O-CB 3.49Å; P858-A862 PolarHBondContact O-N 3.44Å
859A86.6Confident89.6Confident44 Ų4434.3 Ų34.336%0.36419%0.189SC..Hα-helixtrans-65.4-33.5177.400000113.1R857 K863R857-A859 VanDerWaalsContact C-N 3.25Å; R857-A859 PolarHBondContact O-N 2.98Å; R857-A859 VanDerWaalsContact O-N 3.16Å; A859-K863 WeakPolarHBondContact O-CG 3.43Å
860T88.9Confident89.2Confident8 Ų840.1 Ų40.15%0.04922%0.22CC..Hα-helixtrans-77.8-43.2177.8-55.40000110.6M789 M828 Y855 R857 P858 A862 K863M789-T860 HydrophobicContact CE-CG2 3.7Å; M828-T860 HydrophobicContact CE-CG2 4.25Å; M828-T860 HydrophobicContact SD-CG2 3.65Å; Y855-T860 HydrophobicContact CD1-CG2 4.04Å; R857-T860 PolarHBondContact O-N 2.99Å; P858-T860 VanDerWaalsContact C-N 3.33Å; P858-T860 PolarHBondContact O-N 2.95Å; T860-A862 VanDerWaalsContact C-N 3.25Å; T860-A862 PolarHBondContact O-N 3.32Å; T860-K863 WeakPolarHBondContact O-CB 3.32Å; T860-K863 PolarHBondContact O-N 2.98Å; T860-K863 VanDerWaalsContact O-N 3.08Å
861L88.3Confident88.7Confident34 Ų3446.3 Ų46.318%0.17824%0.243CC..Hα-helixtrans-60.3-35.1173.9-70.8175.5000112.4V652 Y855 R857 P858 K863 L864 K869 T872V652-L861 HydrophobicContact CG2-CD2 4.33Å; Y855-L861 WeakPolarHBondContact O-CD2 3.47Å; Y855-L861 WeakPolarHBondContact O-CG 3.26Å; R857-L861 PolarHBondContact O-N 3.25Å; P858-L861 PolarHBondContact O-N 3.4Å; L861-K863 PolarHBondContact O-N 3.14Å; L861-L864 HydrophobicContact CD2-CD1 3.91Å; L861-L864 WeakPolarHBondContact O-CB 3.35Å; L861-L864 PolarHBondContact O-N 3.22Å; L861-K869 WeakPolarHBondContact O-CD 3.36Å; L861-K869 WeakPolarHBondContact O-CG 3.23Å; L861-T872 HydrophobicContact CD2-CG2 4.02Å
862A87.3Confident88.5Confident51 Ų5147.5 Ų47.542%0.42125%0.25SS..THydrogen-bonded Turntrans-64.7-18.8177.300000113.9P858 T860P858-A862 WeakPolarHBondContact O-CB 3.49Å; P858-A862 PolarHBondContact O-N 3.44Å; T860-A862 VanDerWaalsContact C-N 3.25Å; T860-A862 PolarHBondContact O-N 3.32Å
863K87.4Confident88.4Confident28 Ų2849.3 Ų49.312%0.12226%0.263CS..THydrogen-bonded Turntrans-90.6-4.4178-64176179.9-167.20113.4E824 N825 M828 N832 A859 T860 L861E824-K863 IonicContact OE2-NZ 3.38Å; E824-K863 PolarHBondContact OE2-NZ 2.84Å; N825-K863 WeakPolarHBondContact OD1-CD 3.49Å; N825-K863 WeakPolarHBondContact OD1-CE 3.44Å; N825-K863 PolarHBondContact OD1-NZ 3.01Å; M828-K863 HydrophobicContact CB-CB 4.01Å; M828-K863 HydrophobicContact CB-CD 4.39Å; M828-K863 HydrophobicContact CE-CB 4.31Å; M828-K863 HydrophobicContact CG-CB 3.86Å; M828-K863 HydrophobicContact CG-CD 3.89Å; N832-K863 PolarHBondContact ND2-O 3.47Å; A859-K863 WeakPolarHBondContact O-CG 3.43Å; T860-K863 WeakPolarHBondContact O-CB 3.32Å; T860-K863 PolarHBondContact O-N 2.98Å; T860-K863 VanDerWaalsContact O-N 3.08Å; L861-K863 PolarHBondContact O-N 3.14Å
864L87.2Confident88.3Confident1 Ų148 Ų481%0.00527%0.266CS..SBendtrans-78.4146.4171.3-68.2173.7000110.2Q614 M828 N832 I835 L850 L861 A866 K869Q614-L864 PolarHBondContact OE1-O 3.27Å; Q614-L864 VanDerWaalsContact OE1-O 3.12Å; M828-L864 HydrophobicContact CE-CD2 3.5Å; M828-L864 HydrophobicContact CE-CG 3.94Å; N832-L864 WeakPolarHBondContact OD1-CD2 3.22Å; I835-L864 HydrophobicContact CD1-CD2 4.15Å; L850-L864 HydrophobicContact CD1-CD1 4.21Å; L861-L864 HydrophobicContact CD2-CD1 3.91Å; L861-L864 WeakPolarHBondContact O-CB 3.35Å; L861-L864 PolarHBondContact O-N 3.22Å; L864-A866 PolarHBondContact O-N 2.81Å; L864-K869 HydrophobicContact CB-CB 4.21Å
865P83.1Confident88.2Confident4 Ų448.8 Ų48.83%0.02627%0.27CS..  trans-49.3137.3173.3-27.935.1000111.5N832 W867 I868 K869N832-P865 HydrophobicContact CB-CG 4.45Å; N832-P865 VanDerWaalsContact OD1-CD 3.28Å; N832-P865 WeakPolarHBondContact OD1-CD 3.18Å; P865-W867 HydrophobicContact CB-CG 4.45Å; P865-W867 VanDerWaalsContact CB-NE1 3.34Å; P865-W867 PolarHBondContact O-N 2.98Å; P865-W867 VanDerWaalsContact O-N 3.09Å; P865-I868 HydrophobicContact CB-CD1 4.47Å; P865-I868 HydrophobicContact CB-CG1 4.38Å; P865-I868 HydrophobicContact CG-CD1 4.25Å; P865-I868 PolarHBondContact O-N 3.02Å; P865-K869 WeakPolarHBondContact O-CB 3.16Å; P865-K869 PolarHBondContact O-N 2.87Å
866A82.5Confident88Confident46 Ų4653.3 Ų53.338%0.3830%0.302SS..Hα-helixtrans-52.8-38.9-174.600000113L864 I868 K869 N870L864-A866 PolarHBondContact O-N 2.81Å; A866-I868 VanDerWaalsContact C-N 3.32Å; A866-I868 PolarHBondContact O-N 3.19Å; A866-K869 PolarHBondContact O-N 2.99Å; A866-N870 VanDerWaalsContact O-CB 3.32Å; A866-N870 WeakPolarHBondContact O-CB 3.03Å; A866-N870 PolarHBondContact O-N 2.92Å; A866-N870 PolarHBondContact O-ND2 2.77Å; A866-N870 PolarHBondContact O-OD1 2.9Å
867W81Confident87.9Confident35 Ų3554.3 Ų54.313%0.13331%0.307CS..Hα-helixtrans-68-26.4179.368.2-89000113.9H641 I643 I648 I839 P865H641-W867 HydrophobicContact CB-CB 3.88Å; H641-W867 HydrophobicContact CB-CD2 3.8Å; H641-W867 HydrophobicContact CB-CE3 3.98Å; H641-W867 HydrophobicContact CB-CG 3.75Å; H641-W867 AromaticContact CD2-CD2 3.74Å; H641-W867 AromaticContact CD2-CE2 3.68Å; H641-W867 AromaticContact CD2-CE3 3.79Å; H641-W867 AromaticContact CD2-CH2 3.78Å; H641-W867 AromaticContact CD2-CZ2 3.73Å; H641-W867 AromaticContact CD2-CZ3 3.77Å; I643-W867 HydrophobicContact CG2-CE3 4.23Å; I643-W867 HydrophobicContact CG2-CZ3 4.32Å; I648-W867 HydrophobicContact CD1-CE3 3.87Å; I648-W867 HydrophobicContact CD1-CH2 4.05Å; I648-W867 HydrophobicContact CD1-CZ3 3.25Å; I839-W867 HydrophobicContact CD1-CH2 3.95Å; I839-W867 HydrophobicContact CD1-CZ3 3.75Å; P865-W867 HydrophobicContact CB-CG 4.45Å; P865-W867 VanDerWaalsContact CB-NE1 3.34Å; P865-W867 PolarHBondContact O-N 2.98Å; P865-W867 VanDerWaalsContact O-N 3.09Å
868I87Confident87.8Confident1 Ų149.9 Ų49.91%0.00529%0.291CS..Hα-helixtrans-85.8-48.7173.1-59.7-177.3000109.9I648 P650 I835 I848 P865 A866 N870 R871 T872I648-I868 HydrophobicContact CD1-CG1 4.22Å; P650-I868 HydrophobicContact CB-CG2 3.84Å; P650-I868 HydrophobicContact CG-CG2 4Å; I835-I868 HydrophobicContact CD1-CD1 3.42Å; I835-I868 VanDerWaalsContact CD1-CD1 3.42Å; I835-I868 HydrophobicContact CG1-CD1 3.79Å; I848-I868 HydrophobicContact CD1-CD1 4.11Å; P865-I868 HydrophobicContact CB-CD1 4.47Å; P865-I868 HydrophobicContact CB-CG1 4.38Å; P865-I868 HydrophobicContact CG-CD1 4.25Å; P865-I868 PolarHBondContact O-N 3.02Å; A866-I868 VanDerWaalsContact C-N 3.32Å; A866-I868 PolarHBondContact O-N 3.19Å; I868-N870 VanDerWaalsContact C-N 3.32Å; I868-N870 PolarHBondContact O-N 3.31Å; I868-R871 CarbonylContact O-C 3.58Å; I868-R871 PolarHBondContact O-N 2.84Å; I868-T872 PolarHBondContact O-N 3.11Å; I868-T872 PolarHBondContact O-OG1 2.88Å
869K87.8Confident87.9Confident93 Ų9346.8 Ų46.840%0.40428%0.279SS..Hα-helixtrans-54.1-46.7-177.7-179-171.8175.9-171.30111.8L861 L864 P865 A866 R871 T872L861-K869 WeakPolarHBondContact O-CD 3.36Å; L861-K869 WeakPolarHBondContact O-CG 3.23Å; L864-K869 HydrophobicContact CB-CB 4.21Å; P865-K869 WeakPolarHBondContact O-CB 3.16Å; P865-K869 PolarHBondContact O-N 2.87Å; A866-K869 PolarHBondContact O-N 2.99Å; K869-R871 PolarHBondContact O-N 2.76Å; K869-T872 PolarHBondContact O-N 3.11Å
870N86Confident88.2Confident123 Ų12347.9 Ų47.966%0.65828%0.282SS*.THydrogen-bonded Turntrans-64.2-14.1-178-69-10.4000113.6A866 I868A866-N870 VanDerWaalsContact O-CB 3.32Å; A866-N870 WeakPolarHBondContact O-CB 3.03Å; A866-N870 PolarHBondContact O-N 2.92Å; A866-N870 PolarHBondContact O-ND2 2.77Å; A866-N870 PolarHBondContact O-OD1 2.9Å; I868-N870 VanDerWaalsContact C-N 3.32Å; I868-N870 PolarHBondContact O-N 3.31Å
871R86.9Confident88.3Confident131 Ų13147.6 Ų47.649%0.49428%0.281SS..THydrogen-bonded Turntrans-115.3-5.3-180-58.2-60.7175.1-174.5-2.2113.3P645 I648 P650 I868 K869 S873P645-R871 VanDerWaalsContact CB-CZ 3.48Å; P645-R871 VanDerWaalsContact CB-NH2 3.34Å; I648-R871 HydrophobicContact CG2-CG 4.46Å; P650-R871 WeakPolarHBondContact CD-O 3.5Å; P650-R871 HydrophobicContact CG-CB 3.87Å; I868-R871 CarbonylContact O-C 3.58Å; I868-R871 PolarHBondContact O-N 2.84Å; K869-R871 PolarHBondContact O-N 2.76Å; R871-S873 PolarHBondContact O-N 3.4Å
872T91.1Very high88.6Confident27 Ų2748.1 Ų48.117%0.16628%0.282CS..  trans-69.5124.3-176.4-600000110.4P650 V652 L861 I868 K869P650-T872 WeakPolarHBondContact O-CA 3.4Å; V652-T872 HydrophobicContact CG2-CG2 3.62Å; L861-T872 HydrophobicContact CD2-CG2 4.02Å; I868-T872 PolarHBondContact O-N 3.11Å; I868-T872 PolarHBondContact O-OG1 2.88Å; K869-T872 PolarHBondContact O-N 3.11Å
873S91.6Very high88.9Confident38 Ų3848.5 Ų48.527%0.26628%0.284SS..EExtended strand (participates in β ladder)trans-105.2131170.163.20000110.9P650 L651 V652 R871 H875P650-S873 PolarHBondContact O-N 3Å; L651-S873 WeakPolarHBondContact CD2-OG 3.14Å; V652-S873 PolarHBondContact N-O 3.03Å; R871-S873 PolarHBondContact O-N 3.4Å; S873-H875 PolarHBondContact OG-NE2 2.95Å
874T92.1Very high89.1Confident66 Ų6648.6 Ų48.641%0.40529%0.291SS..EExtended strand (participates in β ladder)trans-96.7125.9177.2-57.70000109.7V652 A856V652-T874 HydrophobicContact CB-CG2 4.31Å; V652-T874 HydrophobicContact CG1-CG2 4.18Å; A856-T874 HydrophobicContact CB-CG2 3.61Å
875H90.9Very high89.4Confident36 Ų3648.7 Ų48.717%0.16729%0.291CS..EExtended strand (participates in β ladder)trans-118.8122.1179.4-64.8-80.8000110.7V652 C654 S873 S877 A881V652-H875 PolarHBondContact O-N 3.48Å; C654-H875 PolarHBondContact N-O 3.45Å; C654-H875 VanDerWaalsContact N-O 3.1Å; S873-H875 PolarHBondContact OG-NE2 2.95Å; H875-S877 VanDerWaalsContact C-N 3.3Å; H875-A881 HydrophobicContact CB-CB 3.79Å
876S88.3Confident89.9Confident97 Ų9756 Ų5668%0.67832%0.318SS*.SBendtrans-70.9-24.7175.652.80000113.1A655A655-S876 WeakPolarHBondContact CB-O 3.04Å
877S90.3Very high90.4Very high54 Ų5460.1 Ų60.138%0.37833%0.328SS..SBendtrans-128.8153.8179.558.70000112H875 P880H875-S877 VanDerWaalsContact C-N 3.3Å; S877-P880 WeakPolarHBondContact OG-CD 3.27Å
878F91.2Very high91Very high20 Ų2059.2 Ų59.29%0.08832%0.324CS..Hα-helixtrans-69-37.4-175.5-178.3-99.5000113.8L653 P657 I681 N684 A881 F882L653-F878 HydrophobicContact CD1-CD2 4.35Å; L653-F878 HydrophobicContact CD1-CE2 4.43Å; P657-F878 HydrophobicContact CB-CD1 4Å; P657-F878 HydrophobicContact CB-CE1 4.38Å; P657-F878 HydrophobicContact CB-CG 4.35Å; P657-F878 HydrophobicContact CG-CD1 3.7Å; P657-F878 HydrophobicContact CG-CD2 4.05Å; P657-F878 HydrophobicContact CG-CE1 3.81Å; P657-F878 HydrophobicContact CG-CE2 4.16Å; P657-F878 HydrophobicContact CG-CG 3.83Å; P657-F878 HydrophobicContact CG-CZ 4.05Å; I681-F878 HydrophobicContact CB-CE2 4.44Å; I681-F878 HydrophobicContact CG1-CD2 4.26Å; I681-F878 HydrophobicContact CG1-CE2 4.09Å; I681-F878 HydrophobicContact CG2-CE2 4.25Å; N684-F878 HydrophobicContact CB-CE1 4.1Å; N684-F878 HydrophobicContact CB-CZ 3.69Å; F878-A881 PolarHBondContact O-N 3.41Å; F878-F882 HydrophobicContact CD1-CB 4.18Å; F878-F882 HydrophobicContact CE1-CB 3.75Å; F878-F882 HydrophobicContact CE1-CD2 4.07Å; F878-F882 AromaticContact CE1-CG 3.88Å; F878-F882 HydrophobicContact CE1-CG 3.88Å; F878-F882 HydrophobicContact CZ-CB 4.02Å; F878-F882 AromaticContact CZ-CD2 3.84Å; F878-F882 HydrophobicContact CZ-CD2 3.84Å; F878-F882 HydrophobicContact CZ-CG 4.1Å; F878-F882 WeakPolarHBondContact O-CB 3.32Å; F878-F882 PolarHBondContact O-N 2.89Å
879G91.5Very high91.2Very high46 Ų4659.7 Ų59.747%0.47433%0.327SS..Hα-helixtrans-55.3-54.8-174.500000114.3A881 F882 A883G879-A881 VanDerWaalsContact C-N 3.33Å; G879-A881 PolarHBondContact O-N 3Å; G879-F882 PolarHBondContact O-N 3.49Å; G879-A883 PolarHBondContact O-N 3.24Å
880P92Very high91.3Very high66 Ų6659.5 Ų59.543%0.42933%0.33SS..Hα-helixtrans-60-39.6177.7-26.135.5000113.5S877 A883 A884S877-P880 WeakPolarHBondContact OG-CD 3.27Å; P880-A883 PolarHBondContact O-N 2.8Å; P880-A884 PolarHBondContact O-N 2.95Å
881A91.5Very high91.5Very high2 Ų257.6 Ų57.62%0.01732%0.317CS..Hα-helixtrans-66.5-41.717800000111.8L653 H875 F878 G879 A884 L885L653-A881 HydrophobicContact CD2-CB 3.21Å; H875-A881 HydrophobicContact CB-CB 3.79Å; F878-A881 PolarHBondContact O-N 3.41Å; G879-A881 VanDerWaalsContact C-N 3.33Å; G879-A881 PolarHBondContact O-N 3Å; A881-A884 PolarHBondContact O-N 2.73Å; A881-L885 WeakPolarHBondContact O-CB 3.46Å; A881-L885 PolarHBondContact O-N 3.49Å
882F93.3Very high91.5Very high46 Ų4652.2 Ų52.220%0.20230%0.297CS..Hα-helixtrans-65.9-38176.4-173.8-111000112.2N684 V688 F878 G879 L885 R886N684-F882 HydrophobicContact CB-CD2 4.27Å; N684-F882 HydrophobicContact CB-CE2 3.84Å; N684-F882 HydrophobicContact CB-CZ 4.31Å; N684-F882 WeakPolarHBondContact O-CE2 3.37Å; V688-F882 HydrophobicContact CB-CE2 4.42Å; V688-F882 HydrophobicContact CG2-CE1 4.38Å; V688-F882 HydrophobicContact CG2-CE2 3.55Å; V688-F882 HydrophobicContact CG2-CZ 3.38Å; F878-F882 HydrophobicContact CD1-CB 4.18Å; F878-F882 HydrophobicContact CE1-CB 3.75Å; F878-F882 HydrophobicContact CE1-CD2 4.07Å; F878-F882 AromaticContact CE1-CG 3.88Å; F878-F882 HydrophobicContact CE1-CG 3.88Å; F878-F882 HydrophobicContact CZ-CB 4.02Å; F878-F882 AromaticContact CZ-CD2 3.84Å; F878-F882 HydrophobicContact CZ-CD2 3.84Å; F878-F882 HydrophobicContact CZ-CG 4.1Å; F878-F882 WeakPolarHBondContact O-CB 3.32Å; F878-F882 PolarHBondContact O-N 2.89Å; G879-F882 PolarHBondContact O-N 3.49Å; F882-L885 PolarHBondContact O-N 2.82Å; F882-R886 WeakPolarHBondContact O-CB 3.27Å; F882-R886 PolarHBondContact O-N 2.84Å
883A93.3Very high91.1Very high58 Ų5857 Ų5748%0.47932%0.315SS..Hα-helixtrans-62.5-43.4173.700000111.9G879 P880 R886 K887G879-A883 PolarHBondContact O-N 3.24Å; P880-A883 PolarHBondContact O-N 2.8Å; A883-R886 PolarHBondContact O-N 3.18Å; A883-K887 WeakPolarHBondContact O-CB 3.38Å; A883-K887 PolarHBondContact O-N 2.97Å
884A93.1Very high90.5Very high30 Ų3061 Ų6125%0.24833%0.33CS..Hα-helixtrans-62.2-44.5175.200000112L651 P880 A881 R886 K887 F888L651-A884 HydrophobicContact CD2-CB 4.49Å; P880-A884 PolarHBondContact O-N 2.95Å; A881-A884 PolarHBondContact O-N 2.73Å; A884-R886 PolarHBondContact O-N 2.67Å; A884-K887 PolarHBondContact O-N 3.22Å; A884-F888 WeakPolarHBondContact O-CB 3.39Å; A884-F888 PolarHBondContact O-N 3.27Å
885L93.5Very high89.6Confident4 Ų465.1 Ų65.12%0.02134%0.342CS..Hα-helixtrans-58.9-47.4176.3-169.671.6000111.6L649 L651 I685 V689 S847 A881 F882 F888 F889L649-L885 HydrophobicContact CD2-CD1 4.38Å; L651-L885 HydrophobicContact CD1-CB 4.19Å; L651-L885 HydrophobicContact CD1-CD1 4.2Å; I685-L885 HydrophobicContact CB-CD2 4.48Å; I685-L885 HydrophobicContact CG1-CD2 3.99Å; I685-L885 HydrophobicContact CG2-CD2 4.33Å; V689-L885 HydrophobicContact CG2-CD2 4.41Å; S847-L885 WeakPolarHBondContact OG-CD1 3.38Å; A881-L885 WeakPolarHBondContact O-CB 3.46Å; A881-L885 PolarHBondContact O-N 3.49Å; F882-L885 PolarHBondContact O-N 2.82Å; L885-F888 PolarHBondContact O-N 3.37Å; L885-F889 HydrophobicContact CD1-CD2 4.25Å; L885-F889 HydrophobicContact CD1-CE2 3.64Å; L885-F889 HydrophobicContact CG-CD2 4.2Å; L885-F889 HydrophobicContact CG-CE2 4.02Å; L885-F889 VanDerWaalsContact O-CD2 3.27Å; L885-F889 WeakPolarHBondContact O-CD2 3.34Å; L885-F889 PolarHBondContact O-N 2.73Å
886R93.6Very high88.2Confident158 Ų15871 Ų7160%0.59636%0.363SS*.Hα-helixtrans-62.9-43.8178.1-175.1178.8175.8-172.5-1.4112.1V688 F882 A883 A884 L890V688-R886 HydrophobicContact CG1-CB 4.04Å; V688-R886 HydrophobicContact CG1-CG 4.3Å; F882-R886 WeakPolarHBondContact O-CB 3.27Å; F882-R886 PolarHBondContact O-N 2.84Å; A883-R886 PolarHBondContact O-N 3.18Å; A884-R886 PolarHBondContact O-N 2.67Å; R886-L890 WeakPolarHBondContact O-CB 3.49Å; R886-L890 PolarHBondContact O-N 3.49Å
887K93.4Very high86.2Confident132 Ų13275 Ų7557%0.57437%0.371SS*.Hα-helixtrans-59-47.3177-179.5176.2173.2178.30111.3A883 A884 F889 L890 E891A883-K887 WeakPolarHBondContact O-CB 3.38Å; A883-K887 PolarHBondContact O-N 2.97Å; A884-K887 PolarHBondContact O-N 3.22Å; K887-F889 PolarHBondContact O-N 2.69Å; K887-L890 PolarHBondContact O-N 2.98Å; K887-E891 WeakPolarHBondContact CE-OE1 3.2Å; K887-E891 HydrophobicContact CG-CG 4.46Å; K887-E891 WeakPolarHBondContact CG-OE1 3.11Å; K887-E891 IonicContact NZ-OE1 2.65Å; K887-E891 WeakPolarHBondContact O-CG 3.3Å; K887-E891 PolarHBondContact O-N 3.35Å
888F93.4Very high86Confident15 Ų1576.1 Ų76.17%0.06637%0.371CS..Hα-helixtrans-57.8-49.8-180173.8-99.3000112.9E646 N647 L649 Y845 A884 L885 L890 E891 K892E646-F888 WeakPolarHBondContact O-CE2 3.23Å; N647-F888 WeakPolarHBondContact O-CZ 3.38Å; L649-F888 HydrophobicContact CB-CD1 4.3Å; L649-F888 HydrophobicContact CB-CD2 3.89Å; L649-F888 HydrophobicContact CB-CE1 4.47Å; L649-F888 HydrophobicContact CB-CE2 4.06Å; L649-F888 HydrophobicContact CB-CG 4.01Å; L649-F888 HydrophobicContact CB-CZ 4.35Å; L649-F888 HydrophobicContact CD2-CB 3.71Å; L649-F888 HydrophobicContact CD2-CD1 4.5Å; L649-F888 HydrophobicContact CD2-CG 4.04Å; Y845-F888 HydrophobicContact CD2-CE1 4.12Å; Y845-F888 HydrophobicContact CD2-CZ 4.22Å; A884-F888 WeakPolarHBondContact O-CB 3.39Å; A884-F888 PolarHBondContact O-N 3.27Å; L885-F888 PolarHBondContact O-N 3.37Å; F888-L890 PolarHBondContact O-N 2.92Å; F888-E891 PolarHBondContact O-N 3.12Å; F888-K892 HydrophobicContact CZ-CG 4.5Å; F888-K892 WeakPolarHBondContact O-CG 3.49Å; F888-K892 PolarHBondContact O-N 2.59Å; F888-K892 VanDerWaalsContact O-N 3.12Å
889F91Very high85.8Confident11 Ų1179.1 Ų79.15%0.04839%0.386CS..Hα-helixtrans-70.8-30.4179.6-73-67.7000113.4V688 V689 P690 R782 Y845 S847 L885 K887 K892 K893V688-F889 HydrophobicContact CG1-CD2 4.21Å; V689-F889 HydrophobicContact CB-CE2 4.36Å; V689-F889 HydrophobicContact CB-CZ 4.45Å; V689-F889 HydrophobicContact CG1-CE1 4.39Å; V689-F889 HydrophobicContact CG1-CE2 4.39Å; V689-F889 HydrophobicContact CG1-CZ 3.99Å; V689-F889 HydrophobicContact CG2-CD2 4.25Å; V689-F889 HydrophobicContact CG2-CE2 3.63Å; V689-F889 HydrophobicContact CG2-CZ 4.03Å; P690-F889 HydrophobicContact CG-CD1 4Å; P690-F889 HydrophobicContact CG-CE1 4.44Å; R782-F889 HydrophobicContact CB-CE1 4.18Å; R782-F889 WeakPolarHBondContact O-CZ 3.36Å; Y845-F889 HydrophobicContact CD2-CE1 4.43Å; Y845-F889 HydrophobicContact CE2-CD1 4.17Å; Y845-F889 HydrophobicContact CE2-CE1 4.1Å; S847-F889 WeakPolarHBondContact OG-CE2 3.35Å; S847-F889 WeakPolarHBondContact OG-CZ 3.48Å; L885-F889 HydrophobicContact CD1-CD2 4.25Å; L885-F889 HydrophobicContact CD1-CE2 3.64Å; L885-F889 HydrophobicContact CG-CD2 4.2Å; L885-F889 HydrophobicContact CG-CE2 4.02Å; L885-F889 VanDerWaalsContact O-CD2 3.27Å; L885-F889 WeakPolarHBondContact O-CD2 3.34Å; L885-F889 PolarHBondContact O-N 2.73Å; K887-F889 PolarHBondContact O-N 2.69Å; F889-K892 PolarHBondContact O-N 3.41Å; F889-K893 WeakPolarHBondContact O-CB 3.29Å; F889-K893 PolarHBondContact O-N 3.42Å
890L89.4Confident85.4Confident90 Ų9080.9 Ų80.947%0.47138%0.381SS..Hα-helixtrans-65.4-46.3174.6-163.5105.5000111.3R886 K887 F888 K892 K893 Q894R886-L890 WeakPolarHBondContact O-CB 3.49Å; R886-L890 PolarHBondContact O-N 3.49Å; K887-L890 PolarHBondContact O-N 2.98Å; F888-L890 PolarHBondContact O-N 2.92Å; L890-K892 VanDerWaalsContact C-N 3.31Å; L890-K892 PolarHBondContact O-N 3.38Å; L890-K893 PolarHBondContact O-N 2.97Å; L890-Q894 WeakPolarHBondContact O-CG 3.47Å; L890-Q894 PolarHBondContact O-N 3.27Å
891E89.9Confident85.1Confident83 Ų8381.8 Ų81.839%0.38838%0.378SS..Hα-helixtrans-62.3-37176.8-72.7175.3-179.100112.1K887 F888 K895K887-E891 WeakPolarHBondContact CE-OE1 3.2Å; K887-E891 HydrophobicContact CG-CG 4.46Å; K887-E891 WeakPolarHBondContact CG-OE1 3.11Å; K887-E891 IonicContact NZ-OE1 2.65Å; K887-E891 WeakPolarHBondContact O-CG 3.3Å; K887-E891 PolarHBondContact O-N 3.35Å; F888-E891 PolarHBondContact O-N 3.12Å; E891-K895 WeakPolarHBondContact O-CG 3.31Å; E891-K895 PolarHBondContact O-N 3.05Å
892K87.6Confident84.7Confident17 Ų1786.8 Ų86.87%0.07440%0.4CS..Hα-helixtrans-71.1-35.9175.3-65.6-60175.6-160.20112.9E646 N647 Y845 F888 F889 L890 K895 R896E646-K892 WeakPolarHBondContact O-CE 3.32Å; E646-K892 PolarHBondContact O-NZ 3.43Å; N647-K892 WeakPolarHBondContact OD1-CE 3.13Å; N647-K892 PolarHBondContact OD1-NZ 3.08Å; Y845-K892 HydrophobicContact CD1-CD 4.46Å; Y845-K892 HydrophobicContact CD2-CB 4.22Å; Y845-K892 HydrophobicContact CD2-CD 4.33Å; Y845-K892 HydrophobicContact CD2-CG 3.79Å; Y845-K892 HydrophobicContact CE2-CB 3.9Å; Y845-K892 HydrophobicContact CE2-CG 4.01Å; Y845-K892 HydrophobicContact CG-CD 4.17Å; Y845-K892 HydrophobicContact CG-CG 4.14Å; F888-K892 HydrophobicContact CZ-CG 4.5Å; F888-K892 WeakPolarHBondContact O-CG 3.49Å; F888-K892 PolarHBondContact O-N 2.59Å; F888-K892 VanDerWaalsContact O-N 3.12Å; F889-K892 PolarHBondContact O-N 3.41Å; L890-K892 VanDerWaalsContact C-N 3.31Å; L890-K892 PolarHBondContact O-N 3.38Å; K892-K895 PolarHBondContact O-N 3.43Å; K892-R896 PolarHBondContact O-N 3.23Å
893K81.8Confident84.1Confident128 Ų12889.5 Ų89.556%0.55741%0.414SS*.Hα-helixtrans-63.3-46.7174.4-173.9177.1171.4-179.30110.9F889 L890 K895 R896 E897F889-K893 WeakPolarHBondContact O-CB 3.29Å; F889-K893 PolarHBondContact O-N 3.42Å; L890-K893 PolarHBondContact O-N 2.97Å; K893-K895 VanDerWaalsContact C-N 3.26Å; K893-K895 PolarHBondContact O-N 3.12Å; K893-R896 PolarHBondContact O-N 2.72Å; K893-E897 WeakPolarHBondContact CE-OE1 3.33Å; K893-E897 IonicContact NZ-OE1 2.69Å; K893-E897 PolarHBondContact O-N 2.75Å; K893-E897 VanDerWaalsContact O-N 3.1Å
894Q78.8Confident83.4Confident122 Ų12291.7 Ų91.757%0.5741%0.409SS*.Hα-helixtrans-64.3-24178.4-72.5175.3-7.900114.7L890L890-Q894 WeakPolarHBondContact O-CG 3.47Å; L890-Q894 PolarHBondContact O-N 3.27Å
895K73.1Confident82.7Confident152 Ų15296.5 Ų96.566%0.66142%0.421SS*.THydrogen-bonded Turntrans-85.9-12174.9-75.9-177175.9-174.30113.5E891 K892 K893E891-K895 WeakPolarHBondContact O-CG 3.31Å; E891-K895 PolarHBondContact O-N 3.05Å; K892-K895 PolarHBondContact O-N 3.43Å; K893-K895 VanDerWaalsContact C-N 3.26Å; K893-K895 PolarHBondContact O-N 3.12Å
896R63.1Low81.8Confident161 Ų161104.2 Ų104.261%0.60846%0.455SS*.THydrogen-bonded Turntrans-102.7-29.4-176-167.7175.3176.4179.2-2.4111.6D779 K892 K893D779-R896 IonicContact OD1-NH1 3.85Å; D779-R896 PolarHBondContact OD1-NH1 3.07Å; D779-R896 IonicContact OD2-CZ 2.69Å; D779-R896 IonicContact OD2-NH1 3.76Å; D779-R896 IonicContact OD2-NH2 3.89Å; D779-R896 PolarHBondContact OD2-NH2 3.18Å; K892-R896 PolarHBondContact O-N 3.23Å; K893-R896 PolarHBondContact O-N 2.72Å
897E46.3Very low80.7Confident181 Ų18199.3 Ų99.385%0.84644%0.442SS*.  trans-73.70159-67.5172.7179.400109.9K893K893-E897 WeakPolarHBondContact CE-OE1 3.33Å; K893-E897 IonicContact NZ-OE1 2.69Å; K893-E897 PolarHBondContact O-N 2.75Å; K893-E897 VanDerWaalsContact O-N 3.1Å

Retrieved 897 of 897 residues in 1115.7 ms (Link to these results)

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