A0A096M1U8_POEFO Loading...

Polyamine-transporting ATPase 13A3

ATP-driven pump involved in endocytosis-dependent polyamine transport. Uses ATP as an energy source to transfer polyamine precursor putrescine from the endosomal compartment to the cytosol.

AlphaFold DB , UniProt , Accession A0A096M1U8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,264 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.9Very low61.2Low245 Ų245115.5 Ų115.5100%1.20755%0.545SS*.  0910-90.7-178.6166.200107.2R3M1-R3 PolarHBondContact O-N 3.38Å
2E33.9Very low60.9Low190 Ų190112 Ų11289%0.88856%0.562SS**  trans-64.5130.8-175-70.2169.3158.800110.5G4E2-G4 PolarHBondContact O-N 3.03Å
3R38.9Very low61.2Low246 Ų246113 Ų11393%0.92856%0.564SS**  trans-62.689.1165.8-77.6178.8177.8-174.9-0.7107.1M1 E5M1-R3 PolarHBondContact O-N 3.38Å; R3-E5 PolarHBondContact O-N 3.36Å
4G49.6Very low60.9Low36 Ų36113.4 Ų113.437%0.37156%0.563SS.*  trans-54.2117.3177.100000109.9E2 M6 R61E2-G4 PolarHBondContact O-N 3.03Å; G4-M6 PolarHBondContact O-N 3.4Å; G4-R61 PolarHBondContact O-NH2 2.85Å
5E58.1Low61.4Low159 Ų159107.9 Ų107.974%0.74354%0.535SS*.  trans-46.8123.8-175.4-70.8176.2153.800111.1R3 K7R3-E5 PolarHBondContact O-N 3.36Å; E5-K7 PolarHBondContact O-N 3.16Å
6M66.3Low62.6Low93 Ų93104.5 Ų104.546%0.45852%0.517SS..  trans-71.5115.6170.4-177.7179.6-85.300107.1G4 E18G4-M6 PolarHBondContact O-N 3.4Å; M6-E18 WeakPolarHBondContact CE-OE2 3.02Å; M6-E18 HydrophobicContact CG-CB 4.21Å; M6-E18 HydrophobicContact CG-CG 4.36Å; M6-E18 HydrophobicContact SD-CB 4.44Å; M6-E18 VanDerWaalsContact SD-CD 3.55Å; M6-E18 HydrophobicContact SD-CG 4.11Å
7K81.4Confident63.8Low35 Ų3599.2 Ų99.215%0.15249%0.491CS..EExtended strand (participates in β ladder)trans-93.8143.9179.6-67.8-171.8177-177.70109.4E5 E18 L19 A64 Q172E5-K7 PolarHBondContact O-N 3.16Å; K7-E18 CarbonylContact O-C 3.58Å; K7-E18 WeakPolarHBondContact O-CA 3.45Å; K7-L19 HydrophobicContact CB-CB 4.45Å; K7-L19 HydrophobicContact CB-CD2 4.15Å; K7-L19 PolarHBondContact N-O 3.4Å; K7-L19 PolarHBondContact O-N 3.37Å; K7-A64 HydrophobicContact CD-CB 4.07Å; K7-Q172 WeakPolarHBondContact CD-O 3.44Å; K7-Q172 WeakPolarHBondContact CE-O 3.42Å; K7-Q172 PolarHBondContact NZ-O 3.31Å
8I82.3Confident65.1Low65 Ų6595.2 Ų95.233%0.33347%0.471SS..EExtended strand (participates in β ladder)trans-106.3129.3176.2-60.7173.9000107.1K11 E16 M17 N173I8-K11 HydrophobicContact CG2-CB 4.07Å; I8-K11 HydrophobicContact CG2-CG 4.39Å; I8-E16 HydrophobicContact CG2-CG 3.4Å; I8-E16 VanDerWaalsContact CG2-CG 3.4Å; I8-E16 WeakPolarHBondContact CG2-OE1 3.48Å; I8-M17 CarbonylContact C-O 3.57Å; I8-M17 WeakPolarHBondContact CA-O 3.49Å; I8-N173 PolarHBondContact O-ND2 3.12Å
9L82Confident66.3Low4 Ų490.3 Ų90.32%0.02145%0.446CS..EExtended strand (participates in β ladder)trans-93.2146.5168.4-67178000109.2K11 E16 M17 L19 L72 F158 Y165 F174L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 2.94Å; L9-E16 WeakPolarHBondContact O-CA 3.46Å; L9-M17 PolarHBondContact N-O 3.28Å; L9-M17 PolarHBondContact O-N 3.26Å; L9-M17 VanDerWaalsContact O-N 3.13Å; L9-L19 HydrophobicContact CD1-CB 4.3Å; L9-L19 HydrophobicContact CD1-CD1 3.65Å; L9-L19 HydrophobicContact CD2-CD1 4.1Å; L9-L19 HydrophobicContact CG-CB 4.12Å; L9-L19 HydrophobicContact CG-CD1 3.97Å; L9-L72 HydrophobicContact CD1-CD2 3.62Å; L9-F158 HydrophobicContact CD1-CZ 3.99Å; L9-Y165 HydrophobicContact CD1-CD1 4.46Å; L9-Y165 HydrophobicContact CD1-CE1 4.32Å; L9-Y165 HydrophobicContact CD2-CD1 4.46Å; L9-F174 HydrophobicContact CD2-CB 3.98Å; L9-F174 VanDerWaalsContact CD2-O 3.29Å; L9-F174 WeakPolarHBondContact CD2-O 3.43Å
10N75Confident67.4Low29 Ų2986.7 Ų86.716%0.15543%0.429CS..SBendtrans53.945.8172.6-61.3-3000112.4G12 E13 Y165N10-G12 PolarHBondContact O-N 3.31Å; N10-E13 HydrophobicContact CB-CB 4.12Å; N10-E13 HydrophobicContact CB-CG 4.5Å; N10-E13 WeakPolarHBondContact CB-OE2 3.27Å; N10-E13 PolarHBondContact O-N 3.41Å; N10-Y165 PolarHBondContact ND2-OH 3.15Å
11K71.1Confident68.3Low169 Ų16982.8 Ų82.874%0.73541%0.41SS*.THydrogen-bonded Turntrans-60.4123.4-175.7-173.4-176.9179.7-173.30110.2I8 L9 E13I8-K11 HydrophobicContact CG2-CB 4.07Å; I8-K11 HydrophobicContact CG2-CG 4.39Å; L9-K11 VanDerWaalsContact C-N 3.3Å; L9-K11 PolarHBondContact O-N 2.94Å; K11-E13 VanDerWaalsContact C-N 3.28Å
12G57.6Low70.9Confident73 Ų7371.7 Ų71.775%0.75336%0.355SS*.THydrogen-bonded Turntrans78.94.2-17800000115.3N10 E16N10-G12 PolarHBondContact O-N 3.31Å; G12-E16 PolarHBondContact N-OE2 3.37Å; G12-E16 VanDerWaalsContact N-OE2 3.11Å
13E63.9Low73.5Confident125 Ų12569.2 Ų69.258%0.58434%0.337SS*.SBendtrans-101.7167.3172.4-59.1-179.5172.500111.3N10 K11 E15 E16N10-E13 HydrophobicContact CB-CB 4.12Å; N10-E13 HydrophobicContact CB-CG 4.5Å; N10-E13 WeakPolarHBondContact CB-OE2 3.27Å; N10-E13 PolarHBondContact O-N 3.41Å; K11-E13 VanDerWaalsContact C-N 3.28Å; E13-E15 PolarHBondContact O-N 3.46Å; E13-E16 PolarHBondContact O-N 3.16Å
14E58.2Low75.8Confident118 Ų11861 Ų6155%0.55131%0.312SS*.THydrogen-bonded Turntrans-55.2-28.9-178.1-70.8-164.9161.200113.9K419 K909E14-K419 WeakPolarHBondContact O-CE 3.21Å; E14-K419 PolarHBondContact O-NZ 2.69Å; E14-K909 IonicContact OE2-NZ 2.69Å; E14-K909 PolarHBondContact OE2-NZ 3.41Å
15E67.8Low77.7Confident31 Ų3160.2 Ų60.215%0.14530%0.3CS..THydrogen-bonded Turntrans-108.644.7-176.5-66.1-170.5172.200112.5E13 M17E13-E15 PolarHBondContact O-N 3.46Å; E15-M17 HydrophobicContact CB-CE 4.02Å; E15-M17 WeakPolarHBondContact O-CG 3.4Å; E15-M17 PolarHBondContact O-N 2.86Å
16E80.1Confident79.2Confident54 Ų5463.6 Ų63.625%0.25231%0.306SS..  trans-61.5125.7174.4-168.6174.1144.700111I8 L9 G12 E13 T75I8-E16 HydrophobicContact CG2-CG 3.4Å; I8-E16 VanDerWaalsContact CG2-CG 3.4Å; I8-E16 WeakPolarHBondContact CG2-OE1 3.48Å; L9-E16 WeakPolarHBondContact O-CA 3.46Å; G12-E16 PolarHBondContact N-OE2 3.37Å; G12-E16 VanDerWaalsContact N-OE2 3.11Å; E13-E16 PolarHBondContact O-N 3.16Å; E16-T75 HydrophobicContact CB-CG2 4.34Å; E16-T75 HydrophobicContact CG-CG2 3.96Å; E16-T75 PolarHBondContact O-N 3.18Å; E16-T75 PolarHBondContact O-OG1 3.33Å
17M84.1Confident80.3Confident15 Ų1566.7 Ų66.77%0.07431%0.313CS..EExtended strand (participates in β ladder)trans-137.2141.6-178.3-60.6-169.3-161.800111.9I8 L9 E15 L72 R73 F160I8-M17 CarbonylContact C-O 3.57Å; I8-M17 WeakPolarHBondContact CA-O 3.49Å; L9-M17 PolarHBondContact N-O 3.28Å; L9-M17 PolarHBondContact O-N 3.26Å; L9-M17 VanDerWaalsContact O-N 3.13Å; E15-M17 HydrophobicContact CB-CE 4.02Å; E15-M17 WeakPolarHBondContact O-CG 3.4Å; E15-M17 PolarHBondContact O-N 2.86Å; M17-L72 HydrophobicContact SD-CB 4.4Å; M17-R73 CarbonylContact C-O 3.58Å; M17-R73 WeakPolarHBondContact CA-O 3.22Å; M17-F160 HydrophobicContact CE-CD1 4.38Å; M17-F160 HydrophobicContact CE-CE1 3.35Å; M17-F160 HydrophobicContact CE-CZ 3.87Å; M17-F160 HydrophobicContact SD-CD1 4.39Å; M17-F160 HydrophobicContact SD-CE1 3.58Å; M17-F160 VanDerWaalsContact SD-CE1 3.58Å; M17-F160 HydrophobicContact SD-CZ 3.83Å
18E86.7Confident80.6Confident26 Ų2668.7 Ų68.712%0.12132%0.32CS..EExtended strand (participates in β ladder)trans-83.7132.6169.5-57.4172.1-155.200110.3M6 K7 L72 R73 T75M6-E18 WeakPolarHBondContact CE-OE2 3.02Å; M6-E18 HydrophobicContact CG-CB 4.21Å; M6-E18 HydrophobicContact CG-CG 4.36Å; M6-E18 HydrophobicContact SD-CB 4.44Å; M6-E18 VanDerWaalsContact SD-CD 3.55Å; M6-E18 HydrophobicContact SD-CG 4.11Å; K7-E18 CarbonylContact O-C 3.58Å; K7-E18 WeakPolarHBondContact O-CA 3.45Å; E18-L72 CarbonylContact O-C 3.51Å; E18-L72 WeakPolarHBondContact O-CA 3.25Å; E18-R73 HydrophobicContact CB-CB 4.19Å; E18-R73 PolarHBondContact N-O 3.18Å; E18-R73 PolarHBondContact O-N 2.98Å; E18-R73 IonicContact OE1-CZ 2.74Å; E18-R73 IonicContact OE1-NE 2.6Å; E18-R73 PolarHBondContact OE1-NE 3.44Å; E18-R73 IonicContact OE1-NH2 2.68Å; E18-R73 PolarHBondContact OE1-NH2 2.62Å; E18-R73 IonicContact OE2-CZ 2.7Å; E18-R73 IonicContact OE2-NE 3.28Å; E18-R73 PolarHBondContact OE2-NE 3.44Å; E18-R73 IonicContact OE2-NH1 3.62Å; E18-R73 IonicContact OE2-NH2 3.29Å; E18-R73 PolarHBondContact OE2-NH2 3.1Å; E18-T75 HydrophobicContact CG-CG2 4.24Å
19L87.9Confident80.9Confident2 Ų270 Ų701%0.0133%0.327CS..EExtended strand (participates in β ladder)trans-111.5130-176.6176.7138.6000110.8K7 L9 A64 V70 L72 F158 F174K7-L19 HydrophobicContact CB-CB 4.45Å; K7-L19 HydrophobicContact CB-CD2 4.15Å; K7-L19 PolarHBondContact N-O 3.4Å; K7-L19 PolarHBondContact O-N 3.37Å; L9-L19 HydrophobicContact CD1-CB 4.3Å; L9-L19 HydrophobicContact CD1-CD1 3.65Å; L9-L19 HydrophobicContact CD2-CD1 4.1Å; L9-L19 HydrophobicContact CG-CB 4.12Å; L9-L19 HydrophobicContact CG-CD1 3.97Å; L19-A64 HydrophobicContact CD2-CB 3.52Å; L19-V70 HydrophobicContact CD1-CG1 3.47Å; L19-V70 VanDerWaalsContact CD1-CG1 3.47Å; L19-V70 HydrophobicContact CD2-CG1 4.49Å; L19-V70 HydrophobicContact CG-CG1 3.58Å; L19-L72 HydrophobicContact CB-CD2 4.24Å; L19-L72 HydrophobicContact CD1-CD2 3.98Å; L19-L72 HydrophobicContact CG-CD2 4.35Å; L19-F158 HydrophobicContact CD1-CE1 4.19Å; L19-F158 HydrophobicContact CD1-CZ 4.25Å; L19-F174 HydrophobicContact CD1-CD2 3.89Å; L19-F174 HydrophobicContact CD1-CE2 4.44Å
20Q88.3Confident81.2Confident19 Ų1972.9 Ų72.99%0.08935%0.351CS..EExtended strand (participates in β ladder)trans-128.6129.3175.2-61.5-176.312.600111Y22 V70 L71Q20-Y22 HydrophobicContact CB-CD2 4.45Å; Q20-Y22 HydrophobicContact CB-CE2 3.69Å; Q20-Y22 WeakPolarHBondContact O-CD2 3.19Å; Q20-Y22 PolarHBondContact OE1-OH 3.33Å; Q20-V70 WeakPolarHBondContact O-CA 3.3Å; Q20-L71 HydrophobicContact CB-CB 4.49Å; Q20-L71 PolarHBondContact N-O 3.47Å; Q20-L71 PolarHBondContact O-N 2.88Å
21G87Confident81.9Confident4 Ų476.9 Ų76.94%0.04137%0.372CS..EExtended strand (participates in β ladder)trans-89.1138.5-179.400000113.8T62G21-T62 CarbonylContact C-O 3.06Å; G21-T62 PolarHBondContact O-N 3.08Å; G21-T62 VanDerWaalsContact O-O 3.05Å
22Y88.2Confident82.8Confident12 Ų1269.5 Ų69.55%0.04734%0.341CS..EExtended strand (participates in β ladder)trans-137.8149179.4-68.9-91.2000112.5Q20 V55 C59 T60 R61 A67 E68 V69 L71Q20-Y22 HydrophobicContact CB-CD2 4.45Å; Q20-Y22 HydrophobicContact CB-CE2 3.69Å; Q20-Y22 WeakPolarHBondContact O-CD2 3.19Å; Q20-Y22 PolarHBondContact OE1-OH 3.33Å; Y22-V55 HydrophobicContact CD1-CG1 3.43Å; Y22-V55 VanDerWaalsContact CD1-CG1 3.43Å; Y22-V55 HydrophobicContact CD2-CG1 3.56Å; Y22-V55 HydrophobicContact CE1-CG1 3.76Å; Y22-V55 HydrophobicContact CE2-CG1 3.89Å; Y22-V55 HydrophobicContact CG-CG1 3.31Å; Y22-C59 HydrophobicContact CD1-CB 4.14Å; Y22-C59 HydrophobicContact CG-CB 4.4Å; Y22-T60 CarbonylContact C-O 3.59Å; Y22-T60 WeakPolarHBondContact CA-O 3.41Å; Y22-R61 HydrophobicContact CD1-CB 4.33Å; Y22-R61 HydrophobicContact CE1-CB 4.09Å; Y22-R61 HydrophobicContact CE1-CG 4.44Å; Y22-A67 CarbonylContact O-C 3.37Å; Y22-A67 WeakPolarHBondContact O-CA 3.39Å; Y22-E68 PolarHBondContact O-N 2.93Å; Y22-V69 WeakPolarHBondContact CA-O 3.1Å; Y22-V69 PolarHBondContact N-O 3.18Å; Y22-V69 PolarHBondContact O-N 2.84Å; Y22-V69 VanDerWaalsContact O-O 3.09Å; Y22-L71 HydrophobicContact CD2-CB 3.92Å; Y22-L71 HydrophobicContact CE2-CB 3.6Å; Y22-L71 HydrophobicContact CE2-CD2 3.96Å; Y22-L71 HydrophobicContact CE2-CG 4.44Å
23R90.3Very high84.2Confident138 Ų13867.9 Ų67.952%0.52132%0.324SS..EExtended strand (participates in β ladder)trans-118.6138.1175.5-169.4174.6-174.1178.3-0.6110.5C25 C59 T60 T62 E68R23-C25 PolarHBondContact O-N 2.71Å; R23-C59 CarbonylContact O-C 3.53Å; R23-C59 WeakPolarHBondContact O-CA 3.17Å; R23-C59 VanDerWaalsContact O-CB 3.22Å; R23-C59 WeakPolarHBondContact O-CB 3.42Å; R23-T60 PolarHBondContact N-O 3.44Å; R23-T60 PolarHBondContact O-N 3.23Å; R23-T62 HydrophobicContact CB-CG2 4Å; R23-E68 HydrophobicContact CG-CG 4.33Å; R23-E68 IonicContact NE-OE1 2.93Å; R23-E68 PolarHBondContact NE-OE1 2.95Å
24L87Confident85.5Confident74 Ų7468.7 Ų68.739%0.38733%0.326SS..EExtended strand (participates in β ladder)trans-67133.2179.1-73.7161.2000110.5E68 V69L24-E68 WeakPolarHBondContact CB-OE2 3.48Å; L24-E68 PolarHBondContact N-OE2 2.83Å; L24-V69 HydrophobicContact CG-CG2 4.36Å
25C89.4Confident87Confident20 Ų2063.9 Ų63.914%0.13531%0.308CS..  trans-113.4111.1-179.2-166.60000109.8R23 W27 R28 L29 T58 T60R23-C25 PolarHBondContact O-N 2.71Å; C25-W27 PolarHBondContact O-N 3.01Å; C25-W27 PolarHBondContact SG-NE1 2.81Å; C25-R28 HydrophobicContact CB-CB 4.03Å; C25-R28 HydrophobicContact CB-CG 4.09Å; C25-R28 WeakPolarHBondContact O-CB 3.44Å; C25-R28 PolarHBondContact O-N 2.95Å; C25-L29 PolarHBondContact O-N 2.85Å; C25-T58 PolarHBondContact N-O 2.84Å; C25-T58 VanDerWaalsContact N-O 3.1Å; C25-T60 HydrophobicContact CB-CG2 4.05Å
26R88.3Confident88Confident229 Ų22963.9 Ų63.986%0.86431%0.31SS*.Hα-helixtrans-60.3-38.9-170.1-67.1-175.5179.2178.9-0.5113.9L29 A30R26-L29 PolarHBondContact O-N 3.16Å; R26-A30 PolarHBondContact O-N 3.09Å
27W89.1Confident88.6Confident159 Ų15968 Ų6860%0.60233%0.333SS*.Hα-helixtrans-70.5-37.7178.673.5-100.8000112.1C25 L29 A30 L31C25-W27 PolarHBondContact O-N 3.01Å; C25-W27 PolarHBondContact SG-NE1 2.81Å; W27-L29 VanDerWaalsContact C-N 3.34Å; W27-A30 PolarHBondContact O-N 3.26Å; W27-L31 HydrophobicContact CZ3-CD1 4.49Å; W27-L31 WeakPolarHBondContact O-CB 3.23Å; W27-L31 PolarHBondContact O-N 2.9Å
28R88.8Confident88.8Confident77 Ų7771.3 Ų71.329%0.29136%0.357SS..Hα-helixtrans-64.1-42.1174.3-74.6-167.9179-167.8-5.8111.1C25 A30 L31 V32 K56 S57 C59C25-R28 HydrophobicContact CB-CB 4.03Å; C25-R28 HydrophobicContact CB-CG 4.09Å; C25-R28 WeakPolarHBondContact O-CB 3.44Å; C25-R28 PolarHBondContact O-N 2.95Å; R28-A30 VanDerWaalsContact C-N 3.34Å; R28-L31 PolarHBondContact O-N 2.96Å; R28-V32 WeakPolarHBondContact O-CG2 3.26Å; R28-V32 PolarHBondContact O-N 3.25Å; R28-K56 PolarHBondContact NH1-O 3.28Å; R28-K56 VanDerWaalsContact NH1-O 3.16Å; R28-S57 WeakPolarHBondContact CB-O 2.99Å; R28-C59 PolarHBondContact NH1-O 3.02Å
29L88.4Confident88.9Confident92 Ų9273.1 Ų73.148%0.48237%0.37SS..Hα-helixtrans-62.3-41.3174.4-168.172.3000111.7C25 R26 W27 V32 G33 T58C25-L29 PolarHBondContact O-N 2.85Å; R26-L29 PolarHBondContact O-N 3.16Å; W27-L29 VanDerWaalsContact C-N 3.34Å; L29-V32 PolarHBondContact O-N 3.09Å; L29-G33 PolarHBondContact O-N 2.76Å; L29-T58 HydrophobicContact CD1-CG2 4.02Å
30A88.6Confident88.7Confident65 Ų6576.8 Ų76.854%0.53741%0.408SS..Hα-helixtrans-64.1-39.9174.800000112R26 W27 R28 G33 F34R26-A30 PolarHBondContact O-N 3.09Å; W27-A30 PolarHBondContact O-N 3.26Å; R28-A30 VanDerWaalsContact C-N 3.34Å; A30-G33 PolarHBondContact O-N 3.44Å; A30-F34 WeakPolarHBondContact O-CB 3.27Å; A30-F34 PolarHBondContact O-N 2.82Å
31L89.8Confident88.4Confident112 Ų11277 Ų7759%0.58642%0.416SS*.Hα-helixtrans-66.7-42.7176.6-173137.6000112W27 R28 F34 G35W27-L31 HydrophobicContact CZ3-CD1 4.49Å; W27-L31 WeakPolarHBondContact O-CB 3.23Å; W27-L31 PolarHBondContact O-N 2.9Å; R28-L31 PolarHBondContact O-N 2.96Å; L31-F34 PolarHBondContact O-N 2.92Å; L31-G35 PolarHBondContact O-N 3.44Å
32V89Confident88.2Confident15 Ų1582.8 Ų82.89%0.09144%0.44CS..Hα-helixtrans-63.5-43.6171.9172.40000110.2R28 L29 F34 G35 V36 L43 L47 T58R28-V32 WeakPolarHBondContact O-CG2 3.26Å; R28-V32 PolarHBondContact O-N 3.25Å; L29-V32 PolarHBondContact O-N 3.09Å; V32-F34 VanDerWaalsContact C-N 3.35Å; V32-F34 PolarHBondContact O-N 3.3Å; V32-G35 CarbonylContact O-C 3.5Å; V32-G35 PolarHBondContact O-N 2.67Å; V32-G35 VanDerWaalsContact O-N 3.16Å; V32-V36 HydrophobicContact CG1-CG2 4.21Å; V32-V36 WeakPolarHBondContact O-CB 3.45Å; V32-V36 VanDerWaalsContact O-CG2 3.24Å; V32-V36 WeakPolarHBondContact O-CG2 3.26Å; V32-V36 PolarHBondContact O-N 2.91Å; V32-L43 HydrophobicContact CG1-CD2 4.45Å; V32-L47 HydrophobicContact CG1-CD1 3.52Å; V32-T58 HydrophobicContact CB-CG2 4.43Å; V32-T58 HydrophobicContact CG1-CG2 4.37Å; V32-T58 HydrophobicContact CG2-CG2 4.13Å
33G88.4Confident88.1Confident39 Ų3984.6 Ų84.640%0.40245%0.45SS..Hα-helixtrans-60-42.1176.500000112.9L29 A30 V36 L37L29-G33 PolarHBondContact O-N 2.76Å; A30-G33 PolarHBondContact O-N 3.44Å; G33-V36 PolarHBondContact O-N 3.16Å; G33-L37 PolarHBondContact O-N 3.18Å
34F90.2Very high87.9Confident141 Ų14183.1 Ų83.162%0.61845%0.452SS*.Hα-helixtrans-62.8-46172.3-176.6-102.2000111.3A30 L31 V32 V36 L37 C38A30-F34 WeakPolarHBondContact O-CB 3.27Å; A30-F34 PolarHBondContact O-N 2.82Å; L31-F34 PolarHBondContact O-N 2.92Å; V32-F34 VanDerWaalsContact C-N 3.35Å; V32-F34 PolarHBondContact O-N 3.3Å; F34-V36 VanDerWaalsContact C-N 3.31Å; F34-V36 PolarHBondContact O-N 2.9Å; F34-L37 WeakPolarHBondContact O-CB 3.13Å; F34-L37 PolarHBondContact O-N 2.89Å; F34-L37 VanDerWaalsContact O-N 3.17Å; F34-C38 WeakPolarHBondContact CE1-SG 3.42Å; F34-C38 VanDerWaalsContact CZ-SG 3.56Å; F34-C38 PolarHBondContact O-N 3.12Å; F34-C38 PolarHBondContact O-SG 3.31Å
35G89.6Confident87.7Confident17 Ų1781.4 Ų81.418%0.17544%0.443CS..Hα-helixtrans-60.9-37.2174.600000113.3L31 V32 C38 T39L31-G35 PolarHBondContact O-N 3.44Å; V32-G35 CarbonylContact O-C 3.5Å; V32-G35 PolarHBondContact O-N 2.67Å; V32-G35 VanDerWaalsContact O-N 3.16Å; G35-C38 PolarHBondContact O-N 3.17Å; G35-T39 VanDerWaalsContact O-CB 3.31Å; G35-T39 WeakPolarHBondContact O-CB 3.4Å; G35-T39 WeakPolarHBondContact O-CG2 3.37Å; G35-T39 PolarHBondContact O-N 2.99Å; G35-T39 PolarHBondContact O-OG1 2.83Å
36V89.9Confident87.3Confident31 Ų3183.6 Ų83.619%0.18845%0.453CS..Hα-helixtrans-64.1-43.7174.4168.80000110.5V32 G33 F34 T39 G40 G41 L43 L44V32-V36 HydrophobicContact CG1-CG2 4.21Å; V32-V36 WeakPolarHBondContact O-CB 3.45Å; V32-V36 VanDerWaalsContact O-CG2 3.24Å; V32-V36 WeakPolarHBondContact O-CG2 3.26Å; V32-V36 PolarHBondContact O-N 2.91Å; G33-V36 PolarHBondContact O-N 3.16Å; F34-V36 VanDerWaalsContact C-N 3.31Å; F34-V36 PolarHBondContact O-N 2.9Å; V36-T39 PolarHBondContact O-N 2.9Å; V36-T39 PolarHBondContact O-OG1 3.34Å; V36-G40 PolarHBondContact O-N 3.17Å; V36-G40 VanDerWaalsContact O-N 3.14Å; V36-G41 PolarHBondContact O-N 2.88Å; V36-L43 HydrophobicContact CG2-CB 4.11Å; V36-L43 HydrophobicContact CG2-CD2 4.31Å; V36-L43 HydrophobicContact CG2-CG 4.34Å; V36-L44 HydrophobicContact CG1-CB 4.04Å; V36-L44 HydrophobicContact CG2-CB 3.82Å
37L90.9Very high87.2Confident141 Ų14173.1 Ų73.174%0.73841%0.414SS*.Hα-helixtrans-63.2-48.2175.7-164.496.5000111.4G33 F34 T39 G40G33-L37 PolarHBondContact O-N 3.18Å; F34-L37 WeakPolarHBondContact O-CB 3.13Å; F34-L37 PolarHBondContact O-N 2.89Å; F34-L37 VanDerWaalsContact O-N 3.17Å; L37-T39 VanDerWaalsContact C-N 3.26Å; L37-T39 PolarHBondContact O-N 2.89Å; L37-G40 PolarHBondContact O-N 3.19Å
38C89.8Confident87Confident85 Ų8571.6 Ų71.657%0.57441%0.409SS*.Hα-helixtrans-63.2-31.5179.3-68.20000113.1F34 G35F34-C38 WeakPolarHBondContact CE1-SG 3.42Å; F34-C38 VanDerWaalsContact CZ-SG 3.56Å; F34-C38 PolarHBondContact O-N 3.12Å; F34-C38 PolarHBondContact O-SG 3.31Å; G35-C38 PolarHBondContact O-N 3.17Å
39T87.8Confident86.6Confident64 Ų6472.5 Ų72.539%0.39341%0.413SS..THydrogen-bonded Turntrans-94.46.2-179.859.10000113.4G35 V36 L37 G41 F42 L43G35-T39 VanDerWaalsContact O-CB 3.31Å; G35-T39 WeakPolarHBondContact O-CB 3.4Å; G35-T39 WeakPolarHBondContact O-CG2 3.37Å; G35-T39 PolarHBondContact O-N 2.99Å; G35-T39 PolarHBondContact O-OG1 2.83Å; V36-T39 PolarHBondContact O-N 2.9Å; V36-T39 PolarHBondContact O-OG1 3.34Å; L37-T39 VanDerWaalsContact C-N 3.26Å; L37-T39 PolarHBondContact O-N 2.89Å; T39-G41 PolarHBondContact O-N 3.2Å; T39-F42 PolarHBondContact O-N 3.44Å; T39-L43 HydrophobicContact CG2-CB 4.3Å; T39-L43 VanDerWaalsContact OG1-CB 3.3Å; T39-L43 WeakPolarHBondContact OG1-CB 3.31Å; T39-L43 PolarHBondContact OG1-N 3.34Å; T39-L43 VanDerWaalsContact OG1-N 3.13Å
40G83.4Confident86.4Confident78 Ų7872 Ų7280%0.80441%0.409SS*.THydrogen-bonded Turntrans6025.6-177.900000114V36 L37V36-G40 PolarHBondContact O-N 3.17Å; V36-G40 VanDerWaalsContact O-N 3.14Å; L37-G40 PolarHBondContact O-N 3.19Å
41G83.3Confident86Confident25 Ų2570.7 Ų70.726%0.25840%0.395SS..THydrogen-bonded Turntrans101.1-12-178.500000115.8V36 T39 L43 L44 L45V36-G41 PolarHBondContact O-N 2.88Å; T39-G41 PolarHBondContact O-N 3.2Å; G41-L43 VanDerWaalsContact C-N 3.33Å; G41-L43 PolarHBondContact O-N 3.42Å; G41-L44 WeakPolarHBondContact O-CB 3.42Å; G41-L44 PolarHBondContact O-N 2.94Å; G41-L44 VanDerWaalsContact O-N 3.07Å; G41-L45 PolarHBondContact O-N 3.38Å
42F82Confident85.8Confident125 Ų12567.3 Ų67.355%0.54838%0.376SS..Hα-helixtrans-61.1-40.1-177.3-178-96.8000112.9T39 L44 L45 L46T39-F42 PolarHBondContact O-N 3.44Å; F42-L44 VanDerWaalsContact C-N 3.26Å; F42-L44 PolarHBondContact O-N 3.14Å; F42-L45 WeakPolarHBondContact O-CB 3.42Å; F42-L45 PolarHBondContact O-N 2.87Å; F42-L45 VanDerWaalsContact O-N 3.12Å; F42-L46 HydrophobicContact CE1-CD1 4.34Å; F42-L46 PolarHBondContact O-N 3.23Å
43L85.6Confident85.6Confident50 Ų5073.4 Ų73.426%0.26240%0.397SS..Hα-helixtrans-60.2-37.3176.3-176.964000112V32 V36 T39 G41 L45 L46 L47V32-L43 HydrophobicContact CG1-CD2 4.45Å; V36-L43 HydrophobicContact CG2-CB 4.11Å; V36-L43 HydrophobicContact CG2-CD2 4.31Å; V36-L43 HydrophobicContact CG2-CG 4.34Å; T39-L43 HydrophobicContact CG2-CB 4.3Å; T39-L43 VanDerWaalsContact OG1-CB 3.3Å; T39-L43 WeakPolarHBondContact OG1-CB 3.31Å; T39-L43 PolarHBondContact OG1-N 3.34Å; T39-L43 VanDerWaalsContact OG1-N 3.13Å; G41-L43 VanDerWaalsContact C-N 3.33Å; G41-L43 PolarHBondContact O-N 3.42Å; L43-L45 VanDerWaalsContact C-N 3.26Å; L43-L45 PolarHBondContact O-N 2.94Å; L43-L46 PolarHBondContact O-N 3.42Å; L43-L47 HydrophobicContact CD1-CD1 4.45Å; L43-L47 HydrophobicContact CD1-CG 4.43Å; L43-L47 HydrophobicContact CG-CD1 4.16Å; L43-L47 VanDerWaalsContact O-CG 3.22Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 2.78Å
44L86.3Confident85.5Confident107 Ų10773.1 Ų73.156%0.5639%0.389SS*.Hα-helixtrans-64.2-37.9178.5-17664.8000110.9V36 G41 F42 L47 Y48V36-L44 HydrophobicContact CG1-CB 4.04Å; V36-L44 HydrophobicContact CG2-CB 3.82Å; G41-L44 WeakPolarHBondContact O-CB 3.42Å; G41-L44 PolarHBondContact O-N 2.94Å; G41-L44 VanDerWaalsContact O-N 3.07Å; F42-L44 VanDerWaalsContact C-N 3.26Å; F42-L44 PolarHBondContact O-N 3.14Å; L44-L47 PolarHBondContact O-N 2.84Å; L44-Y48 WeakPolarHBondContact O-CB 3.26Å; L44-Y48 PolarHBondContact O-N 2.81Å
45L82.8Confident85.2Confident37 Ų3766.5 Ų66.519%0.19436%0.36CS..Hα-helixtrans-71.4-42-178.6-148147.4000111.7G41 F42 L43 L47 Y48 W49 L231 I236G41-L45 PolarHBondContact O-N 3.38Å; F42-L45 WeakPolarHBondContact O-CB 3.42Å; F42-L45 PolarHBondContact O-N 2.87Å; F42-L45 VanDerWaalsContact O-N 3.12Å; L43-L45 VanDerWaalsContact C-N 3.26Å; L43-L45 PolarHBondContact O-N 2.94Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L45-L47 PolarHBondContact O-N 2.89Å; L45-Y48 WeakPolarHBondContact O-CB 3.39Å; L45-Y48 PolarHBondContact O-N 2.81Å; L45-W49 HydrophobicContact CD2-CD2 3.79Å; L45-W49 VanDerWaalsContact CD2-CE2 3.41Å; L45-W49 HydrophobicContact CD2-CE3 3.86Å; L45-W49 HydrophobicContact CD2-CH2 3.3Å; L45-W49 HydrophobicContact CD2-CZ2 3.22Å; L45-W49 HydrophobicContact CD2-CZ3 3.61Å; L45-W49 PolarHBondContact O-N 2.77Å; L45-W49 VanDerWaalsContact O-N 3.15Å; L45-L231 HydrophobicContact CD1-CD2 3.79Å; L45-L231 HydrophobicContact CG-CD2 4.16Å; L45-I236 HydrophobicContact CD1-CD1 3.48Å; L45-I236 VanDerWaalsContact CD1-CD1 3.48Å; L45-I236 HydrophobicContact CD1-CG1 4.46Å; L45-I236 HydrophobicContact CD2-CD1 3.25Å; L45-I236 HydrophobicContact CG-CD1 3.91Å
46L82.8Confident85Confident66 Ų6670.7 Ų70.735%0.34637%0.374SS..Hα-helixtrans-61.7-42.2173.3-175139.7000111.9F42 L43 Y48 W49 M50F42-L46 HydrophobicContact CE1-CD1 4.34Å; F42-L46 PolarHBondContact O-N 3.23Å; L43-L46 PolarHBondContact O-N 3.42Å; L46-Y48 VanDerWaalsContact C-N 3.32Å; L46-Y48 PolarHBondContact O-N 3.03Å; L46-W49 PolarHBondContact O-N 2.95Å; L46-M50 WeakPolarHBondContact O-CB 3.12Å; L46-M50 PolarHBondContact O-N 3.44Å
47L85.8Confident84.8Confident9 Ų971.5 Ų71.55%0.04738%0.381CS..Hα-helixtrans-69.1-30.1176-63.3175.2000112.2V32 L43 L44 L45 M50 W53 C54V32-L47 HydrophobicContact CG1-CD1 3.52Å; L43-L47 HydrophobicContact CD1-CD1 4.45Å; L43-L47 HydrophobicContact CD1-CG 4.43Å; L43-L47 HydrophobicContact CG-CD1 4.16Å; L43-L47 VanDerWaalsContact O-CG 3.22Å; L43-L47 WeakPolarHBondContact O-CG 3.42Å; L43-L47 PolarHBondContact O-N 2.78Å; L44-L47 PolarHBondContact O-N 2.84Å; L45-L47 VanDerWaalsContact C-N 3.34Å; L45-L47 PolarHBondContact O-N 2.89Å; L47-M50 CarbonylContact O-C 3.59Å; L47-M50 PolarHBondContact O-N 3.45Å; L47-W53 HydrophobicContact CD2-CB 4.14Å; L47-C54 HydrophobicContact CB-CB 4.01Å; L47-C54 WeakPolarHBondContact O-CB 3.4Å
48Y84.1Confident84.6Confident127 Ų12765.5 Ų65.550%0.49835%0.35SS..Hα-helixtrans-63.2-42.5172.6174.9-98.8000112.3L44 L45 L46 L231L44-Y48 WeakPolarHBondContact O-CB 3.26Å; L44-Y48 PolarHBondContact O-N 2.81Å; L45-Y48 WeakPolarHBondContact O-CB 3.39Å; L45-Y48 PolarHBondContact O-N 2.81Å; L46-Y48 VanDerWaalsContact C-N 3.32Å; L46-Y48 PolarHBondContact O-N 3.03Å; Y48-L231 HydrophobicContact CD1-CD1 4.16Å; Y48-L231 HydrophobicContact CE1-CB 4.21Å; Y48-L231 HydrophobicContact CE1-CD1 3.84Å
49W80.9Confident84.5Confident96 Ų9661.6 Ų61.636%0.36432%0.323SS..Hα-helixtrans-74.4-27.9177.4-66.3-31.1000113.9L45 L46 P51 L231 P233 I236L45-W49 HydrophobicContact CD2-CD2 3.79Å; L45-W49 VanDerWaalsContact CD2-CE2 3.41Å; L45-W49 HydrophobicContact CD2-CE3 3.86Å; L45-W49 HydrophobicContact CD2-CH2 3.3Å; L45-W49 HydrophobicContact CD2-CZ2 3.22Å; L45-W49 HydrophobicContact CD2-CZ3 3.61Å; L45-W49 PolarHBondContact O-N 2.77Å; L45-W49 VanDerWaalsContact O-N 3.15Å; L46-W49 PolarHBondContact O-N 2.95Å; W49-P51 WeakPolarHBondContact O-CD 3.32Å; W49-L231 WeakPolarHBondContact CZ2-O 3.16Å; W49-L231 PolarHBondContact NE1-O 3.09Å; W49-P233 HydrophobicContact CH2-CB 3.96Å; W49-P233 HydrophobicContact CH2-CG 3.93Å; W49-P233 HydrophobicContact CZ2-CB 3.95Å; W49-P233 HydrophobicContact CZ2-CG 3.53Å; W49-I236 HydrophobicContact CH2-CD1 3.76Å; W49-I236 HydrophobicContact CZ2-CD1 3.44Å; W49-I236 VanDerWaalsContact CZ2-CD1 3.44Å
50M83Confident84.4Confident83 Ų8360.9 Ų60.941%0.40932%0.319SS..  trans-114.579.7-177.5-65.3-66.7-65.700110.7L46 L47 E52 W53 C54L46-M50 WeakPolarHBondContact O-CB 3.12Å; L46-M50 PolarHBondContact O-N 3.44Å; L47-M50 CarbonylContact O-C 3.59Å; L47-M50 PolarHBondContact O-N 3.45Å; M50-E52 VanDerWaalsContact C-N 3.26Å; M50-E52 PolarHBondContact O-N 3.46Å; M50-W53 HydrophobicContact CB-CB 3.89Å; M50-W53 HydrophobicContact CB-CG 4.06Å; M50-W53 VanDerWaalsContact CE-CD1 3.41Å; M50-W53 HydrophobicContact CE-CG 4.36Å; M50-W53 WeakPolarHBondContact O-CB 3.09Å; M50-W53 PolarHBondContact O-N 2.66Å; M50-C54 PolarHBondContact O-N 3.25Å
51P81.3Confident84.5Confident37 Ų3763.4 Ų63.424%0.2430%0.304CS..Hα-helixtrans-60.8-32.6-175.120.5-31.2000113.3W49 W53 C54 V55 W81W49-P51 WeakPolarHBondContact O-CD 3.32Å; P51-W53 VanDerWaalsContact C-N 3.35Å; P51-W53 PolarHBondContact O-N 2.93Å; P51-C54 WeakPolarHBondContact O-CB 3.23Å; P51-C54 PolarHBondContact O-N 2.93Å; P51-V55 WeakPolarHBondContact O-CG2 3.43Å; P51-V55 PolarHBondContact O-N 3.06Å; P51-W81 HydrophobicContact CG-CB 4.19Å
52E84.9Confident84.6Confident40 Ų4064.1 Ų64.119%0.18730%0.304CS..Hα-helixtrans-60.5-45173.4-175.9-173.1175.100111.6M50 V55 K56 L71 W81M50-E52 VanDerWaalsContact C-N 3.26Å; M50-E52 PolarHBondContact O-N 3.46Å; E52-V55 PolarHBondContact O-N 2.92Å; E52-K56 HydrophobicContact CG-CD 4.09Å; E52-K56 WeakPolarHBondContact O-CB 3.34Å; E52-K56 VanDerWaalsContact O-CG 3.31Å; E52-K56 WeakPolarHBondContact O-CG 3.38Å; E52-K56 PolarHBondContact O-N 3.43Å; E52-K56 VanDerWaalsContact OE1-CE 3.29Å; E52-K56 WeakPolarHBondContact OE1-CE 3.48Å; E52-K56 IonicContact OE1-NZ 3.45Å; E52-K56 PolarHBondContact OE1-NZ 3.05Å; E52-L71 HydrophobicContact CG-CD2 4.47Å; E52-W81 HydrophobicContact CB-CD2 4.4Å; E52-W81 HydrophobicContact CB-CG 4.13Å; E52-W81 HydrophobicContact CG-CZ2 4.34Å; E52-W81 PolarHBondContact OE2-NE1 2.82Å
53W85.1Confident84.7Confident143 Ų14361.8 Ų61.854%0.54230%0.3SS..Hα-helixtrans-70.4-38.4178.9-71.161.8000110.7L47 M50 P51 V55 K56 S57L47-W53 HydrophobicContact CD2-CB 4.14Å; M50-W53 HydrophobicContact CB-CB 3.89Å; M50-W53 HydrophobicContact CB-CG 4.06Å; M50-W53 VanDerWaalsContact CE-CD1 3.41Å; M50-W53 HydrophobicContact CE-CG 4.36Å; M50-W53 WeakPolarHBondContact O-CB 3.09Å; M50-W53 PolarHBondContact O-N 2.66Å; P51-W53 VanDerWaalsContact C-N 3.35Å; P51-W53 PolarHBondContact O-N 2.93Å; W53-V55 PolarHBondContact O-N 3.04Å; W53-K56 PolarHBondContact O-N 3.44Å; W53-S57 WeakPolarHBondContact O-CB 3.44Å; W53-S57 PolarHBondContact O-N 3.12Å; W53-S57 PolarHBondContact O-OG 2.86Å
54C85.4Confident84.5Confident34 Ų3459.9 Ų59.923%0.2329%0.291CS..Hα-helixtrans-52.6-55171.6-170.10000110.7L47 M50 P51 S57 T58L47-C54 HydrophobicContact CB-CB 4.01Å; L47-C54 WeakPolarHBondContact O-CB 3.4Å; M50-C54 PolarHBondContact O-N 3.25Å; P51-C54 WeakPolarHBondContact O-CB 3.23Å; P51-C54 PolarHBondContact O-N 2.93Å; C54-S57 PolarHBondContact O-N 3.33Å; C54-T58 WeakPolarHBondContact O-CG2 3.48Å; C54-T58 PolarHBondContact O-N 3.31Å; C54-T58 PolarHBondContact O-OG1 3.2Å
55V85.1Confident84.3Confident2 Ų260.2 Ų60.21%0.01229%0.285CS..Hα-helixtrans-66.1-42.7-177.8176.60000112Y22 P51 E52 W53 S57 T58 C59 L71 L83Y22-V55 HydrophobicContact CD1-CG1 3.43Å; Y22-V55 VanDerWaalsContact CD1-CG1 3.43Å; Y22-V55 HydrophobicContact CD2-CG1 3.56Å; Y22-V55 HydrophobicContact CE1-CG1 3.76Å; Y22-V55 HydrophobicContact CE2-CG1 3.89Å; Y22-V55 HydrophobicContact CG-CG1 3.31Å; P51-V55 WeakPolarHBondContact O-CG2 3.43Å; P51-V55 PolarHBondContact O-N 3.06Å; E52-V55 PolarHBondContact O-N 2.92Å; W53-V55 PolarHBondContact O-N 3.04Å; V55-S57 VanDerWaalsContact C-N 3.27Å; V55-S57 PolarHBondContact O-N 3.07Å; V55-T58 PolarHBondContact O-N 3.03Å; V55-C59 HydrophobicContact CG1-CB 4.04Å; V55-C59 WeakPolarHBondContact O-CA 3.02Å; V55-C59 WeakPolarHBondContact O-CB 3.01Å; V55-C59 PolarHBondContact O-N 2.91Å; V55-L71 HydrophobicContact CG2-CD1 4.14Å; V55-L83 HydrophobicContact CG2-CD1 3.27Å; V55-L83 HydrophobicContact CG2-CG 4.48Å
56K85.6Confident84.3Confident105 Ų10562.4 Ų62.446%0.45730%0.297SS..Hα-helixtrans-63-36.4177.8-76177.3174178.20112.2R28 E52 W53R28-K56 PolarHBondContact NH1-O 3.28Å; R28-K56 VanDerWaalsContact NH1-O 3.16Å; E52-K56 HydrophobicContact CG-CD 4.09Å; E52-K56 WeakPolarHBondContact O-CB 3.34Å; E52-K56 VanDerWaalsContact O-CG 3.31Å; E52-K56 WeakPolarHBondContact O-CG 3.38Å; E52-K56 PolarHBondContact O-N 3.43Å; E52-K56 VanDerWaalsContact OE1-CE 3.29Å; E52-K56 WeakPolarHBondContact OE1-CE 3.48Å; E52-K56 IonicContact OE1-NZ 3.45Å; E52-K56 PolarHBondContact OE1-NZ 3.05Å; W53-K56 PolarHBondContact O-N 3.44Å
57S85Confident84.4Confident48 Ų4859.3 Ų59.334%0.33628%0.281SS..Hα-helixtrans-80-30.8-179.2-63.30000113.1R28 W53 C54 V55R28-S57 WeakPolarHBondContact CB-O 2.99Å; W53-S57 WeakPolarHBondContact O-CB 3.44Å; W53-S57 PolarHBondContact O-N 3.12Å; W53-S57 PolarHBondContact O-OG 2.86Å; C54-S57 PolarHBondContact O-N 3.33Å; V55-S57 VanDerWaalsContact C-N 3.27Å; V55-S57 PolarHBondContact O-N 3.07Å
58T86.3Confident84.5Confident14 Ų1462.1 Ų62.19%0.08629%0.294CS..Hα-helixtrans-101.7-22.4-178.360.60000114.5C25 L29 V32 C54 V55C25-T58 PolarHBondContact N-O 2.84Å; C25-T58 VanDerWaalsContact N-O 3.1Å; L29-T58 HydrophobicContact CD1-CG2 4.02Å; V32-T58 HydrophobicContact CB-CG2 4.43Å; V32-T58 HydrophobicContact CG1-CG2 4.37Å; V32-T58 HydrophobicContact CG2-CG2 4.13Å; C54-T58 WeakPolarHBondContact O-CG2 3.48Å; C54-T58 PolarHBondContact O-N 3.31Å; C54-T58 PolarHBondContact O-OG1 3.2Å; V55-T58 PolarHBondContact O-N 3.03Å
59C87.9Confident84.7Confident3 Ų356.8 Ų56.82%0.0227%0.274CS..EExtended strand (participates in β ladder)trans-122.2162.9-170.3-53.60000112.4Y22 R23 R28 V55Y22-C59 HydrophobicContact CD1-CB 4.14Å; Y22-C59 HydrophobicContact CG-CB 4.4Å; R23-C59 CarbonylContact O-C 3.53Å; R23-C59 WeakPolarHBondContact O-CA 3.17Å; R23-C59 VanDerWaalsContact O-CB 3.22Å; R23-C59 WeakPolarHBondContact O-CB 3.42Å; R28-C59 PolarHBondContact NH1-O 3.02Å; V55-C59 HydrophobicContact CG1-CB 4.04Å; V55-C59 WeakPolarHBondContact O-CA 3.02Å; V55-C59 WeakPolarHBondContact O-CB 3.01Å; V55-C59 PolarHBondContact O-N 2.91Å
60T87Confident85.1Confident49 Ų4952.2 Ų52.230%0.30126%0.257SS..EExtended strand (participates in β ladder)trans-110.9144.6167.949.30000109.8Y22 R23 C25Y22-T60 CarbonylContact C-O 3.59Å; Y22-T60 WeakPolarHBondContact CA-O 3.41Å; R23-T60 PolarHBondContact N-O 3.44Å; R23-T60 PolarHBondContact O-N 3.23Å; C25-T60 HydrophobicContact CB-CG2 4.05Å
61R84.2Confident85.4Confident131 Ų13148.3 Ų48.349%0.49424%0.238SC..EExtended strand (participates in β ladder)trans-67.5137.9179.4-170.3173176.6168.1-2109.9G4 Y22G4-R61 PolarHBondContact O-NH2 2.85Å; Y22-R61 HydrophobicContact CD1-CB 4.33Å; Y22-R61 HydrophobicContact CE1-CB 4.09Å; Y22-R61 HydrophobicContact CE1-CG 4.44Å
62T85.9Confident85.6Confident41 Ų4146.5 Ų46.525%0.25223%0.226SC..EExtended strand (participates in β ladder)trans-143.4176.8178.7-168.10000110.4G21 R23 A67G21-T62 CarbonylContact C-O 3.06Å; G21-T62 PolarHBondContact O-N 3.08Å; G21-T62 VanDerWaalsContact O-O 3.05Å; R23-T62 HydrophobicContact CB-CG2 4Å; T62-A67 HydrophobicContact CG2-CB 4.2Å
63T84.1Confident85.7Confident76 Ų7646.8 Ų46.847%0.46623%0.226SC..  trans-65.5150.2174.760.40000109.9R65 D66 A67T63-R65 PolarHBondContact O-N 2.93Å; T63-R65 VanDerWaalsContact O-N 3.16Å; T63-D66 PolarHBondContact O-N 3.02Å; T63-D66 VanDerWaalsContact O-N 3.16Å; T63-D66 PolarHBondContact OG1-N 2.72Å; T63-D66 PolarHBondContact OG1-OD2 2.8Å; T63-A67 PolarHBondContact O-N 2.79Å; T63-A67 VanDerWaalsContact O-N 3.16Å
64A80.6Confident85.5Confident9 Ų940.4 Ų40.47%0.07420%0.203CC..THydrogen-bonded Turntrans-57-30.9176.300000112.5K7 L19 W167K7-A64 HydrophobicContact CD-CB 4.07Å; L19-A64 HydrophobicContact CD2-CB 3.52Å; A64-W167 HydrophobicContact CB-CH2 4.28Å; A64-W167 HydrophobicContact CB-CZ3 3.87Å
65R82.2Confident84.8Confident114 Ų11441.6 Ų41.643%0.4321%0.209SC..THydrogen-bonded Turntrans-61.8-45.6177.5-169.1173.3-163-167.76.1112.1T63 R156 W167 D169T63-R65 PolarHBondContact O-N 2.93Å; T63-R65 VanDerWaalsContact O-N 3.16Å; R65-R156 WeakPolarHBondContact O-CD 3.29Å; R65-R156 PolarHBondContact O-NE 2.87Å; R65-R156 PolarHBondContact O-NH1 3.32Å; R65-W167 VanDerWaalsContact CA-CH2 3.46Å; R65-W167 HydrophobicContact CB-CH2 3.57Å; R65-W167 HydrophobicContact CB-CZ2 3.41Å; R65-W167 VanDerWaalsContact CB-CZ2 3.41Å; R65-W167 HydrophobicContact CB-CZ3 4.32Å; R65-W167 HydrophobicContact CG-CH2 4.18Å; R65-W167 HydrophobicContact CG-CZ2 3.5Å; R65-D169 IonicContact CZ-OD1 2.66Å; R65-D169 IonicContact NE-OD1 3.11Å; R65-D169 PolarHBondContact NE-OD1 3Å; R65-D169 IonicContact NH2-OD1 3.32Å; R65-D169 PolarHBondContact NH2-OD1 2.89Å
66D83.3Confident83.9Confident84 Ų8443.6 Ų43.645%0.44922%0.219SC..THydrogen-bonded Turntrans-93.4-1.7-173.7-64.3-40.6000114T63 E68 R156T63-D66 PolarHBondContact O-N 3.02Å; T63-D66 VanDerWaalsContact O-N 3.16Å; T63-D66 PolarHBondContact OG1-N 2.72Å; T63-D66 PolarHBondContact OG1-OD2 2.8Å; D66-E68 PolarHBondContact O-N 2.95Å; D66-R156 PolarHBondContact O-NH2 3.4Å; D66-R156 IonicContact OD1-NH1 2.95Å
67A85.4Confident82.6Confident0 Ų046.9 Ų46.90%024%0.237CC..  trans-62.2123.2-176.100000113.5Y22 T62 T63 V70 V86 R156Y22-A67 CarbonylContact O-C 3.37Å; Y22-A67 WeakPolarHBondContact O-CA 3.39Å; T62-A67 HydrophobicContact CG2-CB 4.2Å; T63-A67 PolarHBondContact O-N 2.79Å; T63-A67 VanDerWaalsContact O-N 3.16Å; A67-V70 HydrophobicContact CB-CG2 4.07Å; A67-V86 VanDerWaalsContact O-CB 3.31Å; A67-V86 WeakPolarHBondContact O-CB 3.32Å; A67-V86 VanDerWaalsContact O-CG2 3.29Å; A67-V86 WeakPolarHBondContact O-CG2 3.42Å; A67-R156 PolarHBondContact O-NH2 3.02Å
68E87.6Confident81.5Confident68 Ų6847.6 Ų47.632%0.31823%0.234SC..SBendtrans-80.3-27168.2-68.3171.6-168.400110.9Y22 R23 L24 D66 V86Y22-E68 PolarHBondContact O-N 2.93Å; R23-E68 HydrophobicContact CG-CG 4.33Å; R23-E68 IonicContact NE-OE1 2.93Å; R23-E68 PolarHBondContact NE-OE1 2.95Å; L24-E68 WeakPolarHBondContact CB-OE2 3.48Å; L24-E68 PolarHBondContact N-OE2 2.83Å; D66-E68 PolarHBondContact O-N 2.95Å; E68-V86 PolarHBondContact O-N 3.48Å
69V88.6Confident80.9Confident16 Ų1654.6 Ų54.610%0.09726%0.258CS..EExtended strand (participates in β ladder)trans-135.6135.4-178.4179.40000108.2Y22 L24 L83Y22-V69 WeakPolarHBondContact CA-O 3.1Å; Y22-V69 PolarHBondContact N-O 3.18Å; Y22-V69 PolarHBondContact O-N 2.84Å; Y22-V69 VanDerWaalsContact O-O 3.09Å; L24-V69 HydrophobicContact CG-CG2 4.36Å; V69-L83 HydrophobicContact CG1-CD1 3.22Å; V69-L83 HydrophobicContact CG1-CG 4.15Å
70V88.6Confident80.3Confident0 Ų060.4 Ų60.40%028%0.28CS..EExtended strand (participates in β ladder)trans-114.5132.6177.5172.40000108.9L19 Q20 A67 L72 A84 V86 F174L19-V70 HydrophobicContact CD1-CG1 3.47Å; L19-V70 VanDerWaalsContact CD1-CG1 3.47Å; L19-V70 HydrophobicContact CD2-CG1 4.49Å; L19-V70 HydrophobicContact CG-CG1 3.58Å; Q20-V70 WeakPolarHBondContact O-CA 3.3Å; A67-V70 HydrophobicContact CB-CG2 4.07Å; V70-L72 HydrophobicContact CG1-CD2 3.82Å; V70-L72 HydrophobicContact CG1-CG 4.12Å; V70-A84 PolarHBondContact N-O 3.39Å; V70-A84 PolarHBondContact O-N 3.49Å; V70-V86 HydrophobicContact CB-CG2 4.46Å; V70-V86 HydrophobicContact CG2-CG2 3.52Å; V70-F174 HydrophobicContact CG2-CE2 4.42Å
71L88.5Confident80.1Confident0 Ų060.7 Ų60.70%028%0.276CS..EExtended strand (participates in β ladder)trans-103.8120.9172.4-170.270.1000108.1Q20 Y22 E52 V55 W81 F82 L83Q20-L71 HydrophobicContact CB-CB 4.49Å; Q20-L71 PolarHBondContact N-O 3.47Å; Q20-L71 PolarHBondContact O-N 2.88Å; Y22-L71 HydrophobicContact CD2-CB 3.92Å; Y22-L71 HydrophobicContact CE2-CB 3.6Å; Y22-L71 HydrophobicContact CE2-CD2 3.96Å; Y22-L71 HydrophobicContact CE2-CG 4.44Å; E52-L71 HydrophobicContact CG-CD2 4.47Å; V55-L71 HydrophobicContact CG2-CD1 4.14Å; L71-W81 HydrophobicContact CD1-CB 4.35Å; L71-W81 HydrophobicContact CD1-CE3 4.19Å; L71-W81 HydrophobicContact CD2-CD2 4.23Å; L71-W81 HydrophobicContact CD2-CE3 3.52Å; L71-W81 HydrophobicContact CD2-CH2 4.27Å; L71-W81 HydrophobicContact CD2-CZ3 3.52Å; L71-W81 HydrophobicContact CG-CD2 4.44Å; L71-W81 HydrophobicContact CG-CE3 3.53Å; L71-W81 HydrophobicContact CG-CZ3 3.84Å; L71-F82 WeakPolarHBondContact CA-O 3.43Å; L71-L83 HydrophobicContact CD1-CD1 4.5Å
72L87.3Confident80.2Confident0 Ų057.5 Ų57.50%027%0.266CS..EExtended strand (participates in β ladder)trans-104.6134.4-178.9-59.1166.5000108.8L9 M17 E18 L19 V70 W81 F82 A84 F158 F160L9-L72 HydrophobicContact CD1-CD2 3.62Å; M17-L72 HydrophobicContact SD-CB 4.4Å; E18-L72 CarbonylContact O-C 3.51Å; E18-L72 WeakPolarHBondContact O-CA 3.25Å; L19-L72 HydrophobicContact CB-CD2 4.24Å; L19-L72 HydrophobicContact CD1-CD2 3.98Å; L19-L72 HydrophobicContact CG-CD2 4.35Å; V70-L72 HydrophobicContact CG1-CD2 3.82Å; V70-L72 HydrophobicContact CG1-CG 4.12Å; L72-W81 CarbonylContact O-C 3.51Å; L72-W81 WeakPolarHBondContact O-CA 3.32Å; L72-F82 HydrophobicContact CB-CB 4.23Å; L72-F82 PolarHBondContact N-O 3.05Å; L72-F82 PolarHBondContact O-N 2.97Å; L72-A84 HydrophobicContact CD1-CB 4.29Å; L72-F158 HydrophobicContact CD1-CE2 4.28Å; L72-F160 HydrophobicContact CD1-CB 4.25Å; L72-F160 HydrophobicContact CD1-CD1 4.23Å; L72-F160 HydrophobicContact CD1-CD2 3.47Å; L72-F160 VanDerWaalsContact CD1-CD2 3.47Å; L72-F160 HydrophobicContact CD1-CE2 3.8Å; L72-F160 HydrophobicContact CD1-CG 3.7Å; L72-F160 HydrophobicContact CD1-CZ 4.3Å
73R85.8Confident80.2Confident46 Ų4660 Ų6017%0.17428%0.277CS..EExtended strand (participates in β ladder)trans-117.2126.6172.5-168.3171.872.8-179.33.1109.7M17 E18 R79 R80 W81M17-R73 CarbonylContact C-O 3.58Å; M17-R73 WeakPolarHBondContact CA-O 3.22Å; E18-R73 HydrophobicContact CB-CB 4.19Å; E18-R73 PolarHBondContact N-O 3.18Å; E18-R73 PolarHBondContact O-N 2.98Å; E18-R73 IonicContact OE1-CZ 2.74Å; E18-R73 IonicContact OE1-NE 2.6Å; E18-R73 PolarHBondContact OE1-NE 3.44Å; E18-R73 IonicContact OE1-NH2 2.68Å; E18-R73 PolarHBondContact OE1-NH2 2.62Å; E18-R73 IonicContact OE2-CZ 2.7Å; E18-R73 IonicContact OE2-NE 3.28Å; E18-R73 PolarHBondContact OE2-NE 3.44Å; E18-R73 IonicContact OE2-NH1 3.62Å; E18-R73 IonicContact OE2-NH2 3.29Å; E18-R73 PolarHBondContact OE2-NH2 3.1Å; R73-R79 HydrophobicContact CG-CB 4.36Å; R73-R80 WeakPolarHBondContact CA-O 3.39Å; R73-W81 HydrophobicContact CB-CD2 4.27Å; R73-W81 HydrophobicContact CB-CE3 3.63Å; R73-W81 HydrophobicContact CB-CH2 4.19Å; R73-W81 HydrophobicContact CB-CZ3 3.6Å; R73-W81 HydrophobicContact CG-CD2 4.18Å; R73-W81 HydrophobicContact CG-CE3 4.03Å; R73-W81 HydrophobicContact CG-CH2 4.32Å; R73-W81 HydrophobicContact CG-CZ2 4.41Å; R73-W81 HydrophobicContact CG-CZ3 4.13Å
74S80.8Confident80.4Confident9 Ų956.7 Ų56.76%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-64.4139.3170.865.70000110.5D76 R79 R80S74-D76 VanDerWaalsContact C-N 3.29Å; S74-R79 WeakPolarHBondContact O-CA 3.47Å; S74-R80 PolarHBondContact N-O 3Å; S74-R80 PolarHBondContact OG-N 2.78Å
75T71.1Confident80.8Confident58 Ų5865 Ų6536%0.35629%0.286SS..SBendtrans-78.3-14.4172.954.60000113.2E16 E18E16-T75 HydrophobicContact CB-CG2 4.34Å; E16-T75 HydrophobicContact CG-CG2 3.96Å; E16-T75 PolarHBondContact O-N 3.18Å; E16-T75 PolarHBondContact O-OG1 3.33Å; E18-T75 HydrophobicContact CG-CG2 4.24Å
76D66.1Low81.1Confident44 Ų4460.2 Ų60.224%0.23527%0.27CS..SBendtrans-55.3159.3173.6-62.2-31.5000112.5S74 F78 R79 K419S74-D76 VanDerWaalsContact C-N 3.29Å; D76-F78 HydrophobicContact CB-CD2 4.45Å; D76-F78 PolarHBondContact O-N 3.23Å; D76-R79 PolarHBondContact O-N 2.8Å; D76-K419 IonicContact OD1-NZ 2.77Å; D76-K419 PolarHBondContact OD1-NZ 3.03Å
77E57.6Low81.4Confident175 Ų17563.3 Ų63.382%0.81828%0.275SS*.THydrogen-bonded Turntrans-49.1-27.8-177.7-66.4-174.7161.700114.8
78F62.3Low81.4Confident63 Ų6367.2 Ų67.228%0.27630%0.299SS..THydrogen-bonded Turntrans-77.9-19.4-179.5-54.4-81.6000115D76 R80 P420 D422D76-F78 HydrophobicContact CB-CD2 4.45Å; D76-F78 PolarHBondContact O-N 3.23Å; F78-R80 VanDerWaalsContact C-N 3.26Å; F78-R80 HydrophobicContact CB-CG 3.96Å; F78-R80 PolarHBondContact O-N 2.84Å; F78-R80 VanDerWaalsContact O-N 3.14Å; F78-P420 HydrophobicContact CD2-CB 4.26Å; F78-P420 HydrophobicContact CD2-CG 3.62Å; F78-P420 HydrophobicContact CE2-CB 4.17Å; F78-P420 HydrophobicContact CE2-CG 3.88Å; F78-P420 WeakPolarHBondContact CE2-O 3.47Å; F78-P420 HydrophobicContact CG-CG 4.14Å; F78-P420 HydrophobicContact CZ-CB 4.42Å; F78-P420 WeakPolarHBondContact CZ-O 3.41Å; F78-D422 HydrophobicContact CE1-CB 3.55Å; F78-D422 VanDerWaalsContact CZ-CA 3.46Å; F78-D422 HydrophobicContact CZ-CB 3.42Å; F78-D422 VanDerWaalsContact CZ-CB 3.42Å; F78-D422 VanDerWaalsContact CZ-N 3.34Å
79R73.8Confident81.2Confident160 Ų16065.6 Ų65.660%0.60429%0.292SS*.  trans43.647.6-178.3-63.6-176.8173.3-177.1-1.7113.9R73 S74 D76R73-R79 HydrophobicContact CG-CB 4.36Å; S74-R79 WeakPolarHBondContact O-CA 3.47Å; D76-R79 PolarHBondContact O-N 2.8Å
80R76.7Confident80.8Confident126 Ų12669 Ų6948%0.47531%0.309SS..  trans-72.6144.8-177.7-71-174.3-179.6-176.70.9111.2R73 S74 F78 F82R73-R80 WeakPolarHBondContact CA-O 3.39Å; S74-R80 PolarHBondContact N-O 3Å; S74-R80 PolarHBondContact OG-N 2.78Å; F78-R80 VanDerWaalsContact C-N 3.26Å; F78-R80 HydrophobicContact CB-CG 3.96Å; F78-R80 PolarHBondContact O-N 2.84Å; F78-R80 VanDerWaalsContact O-N 3.14Å; R80-F82 HydrophobicContact CB-CE2 4.02Å; R80-F82 HydrophobicContact CB-CZ 4.18Å
81W82.9Confident80.2Confident54 Ų5469 Ų6921%0.20531%0.309CS..EExtended strand (participates in β ladder)trans-101.2132.8179.2-64.9107.7000111.6P51 E52 L71 L72 R73P51-W81 HydrophobicContact CG-CB 4.19Å; E52-W81 HydrophobicContact CB-CD2 4.4Å; E52-W81 HydrophobicContact CB-CG 4.13Å; E52-W81 HydrophobicContact CG-CZ2 4.34Å; E52-W81 PolarHBondContact OE2-NE1 2.82Å; L71-W81 HydrophobicContact CD1-CB 4.35Å; L71-W81 HydrophobicContact CD1-CE3 4.19Å; L71-W81 HydrophobicContact CD2-CD2 4.23Å; L71-W81 HydrophobicContact CD2-CE3 3.52Å; L71-W81 HydrophobicContact CD2-CH2 4.27Å; L71-W81 HydrophobicContact CD2-CZ3 3.52Å; L71-W81 HydrophobicContact CG-CD2 4.44Å; L71-W81 HydrophobicContact CG-CE3 3.53Å; L71-W81 HydrophobicContact CG-CZ3 3.84Å; L72-W81 CarbonylContact O-C 3.51Å; L72-W81 WeakPolarHBondContact O-CA 3.32Å; R73-W81 HydrophobicContact CB-CD2 4.27Å; R73-W81 HydrophobicContact CB-CE3 3.63Å; R73-W81 HydrophobicContact CB-CH2 4.19Å; R73-W81 HydrophobicContact CB-CZ3 3.6Å; R73-W81 HydrophobicContact CG-CD2 4.18Å; R73-W81 HydrophobicContact CG-CE3 4.03Å; R73-W81 HydrophobicContact CG-CH2 4.32Å; R73-W81 HydrophobicContact CG-CZ2 4.41Å; R73-W81 HydrophobicContact CG-CZ3 4.13Å
82F85.3Confident79.4Confident65 Ų6569.6 Ų69.629%0.28531%0.313SS..EExtended strand (participates in β ladder)trans-123.9144.1175.1-55.4-88.5000111.2L71 L72 R80 F160L71-F82 WeakPolarHBondContact CA-O 3.43Å; L72-F82 HydrophobicContact CB-CB 4.23Å; L72-F82 PolarHBondContact N-O 3.05Å; L72-F82 PolarHBondContact O-N 2.97Å; R80-F82 HydrophobicContact CB-CE2 4.02Å; R80-F82 HydrophobicContact CB-CZ 4.18Å; F82-F160 HydrophobicContact CB-CE2 3.71Å; F82-F160 HydrophobicContact CB-CZ 4.38Å; F82-F160 HydrophobicContact CD1-CE2 4.17Å; F82-F160 HydrophobicContact CD1-CZ 4.47Å; F82-F160 HydrophobicContact CD2-CE2 4.35Å; F82-F160 HydrophobicContact CD2-CZ 4.19Å; F82-F160 AromaticContact CG-CE2 3.83Å; F82-F160 HydrophobicContact CG-CE2 3.83Å; F82-F160 HydrophobicContact CG-CZ 4.1Å
83L86.4Confident78.7Confident93 Ų9369.7 Ų69.749%0.48731%0.314SS..EExtended strand (participates in β ladder)trans-106123.8-179.9-172.265.1000110.4V55 V69 L71V55-L83 HydrophobicContact CG2-CD1 3.27Å; V55-L83 HydrophobicContact CG2-CG 4.48Å; V69-L83 HydrophobicContact CG1-CD1 3.22Å; V69-L83 HydrophobicContact CG1-CG 4.15Å; L71-L83 HydrophobicContact CD1-CD1 4.5Å
84A87.8Confident77.8Confident6 Ų671.4 Ų71.45%0.0533%0.333CS..EExtended strand (participates in β ladder)trans-122.9138.9173.100000110.7V70 L72 F158V70-A84 PolarHBondContact N-O 3.39Å; V70-A84 PolarHBondContact O-N 3.49Å; L72-A84 HydrophobicContact CD1-CB 4.29Å; A84-F158 HydrophobicContact CB-CB 4.45Å; A84-F158 HydrophobicContact CB-CD2 3.82Å; A84-F158 HydrophobicContact CB-CE2 4.44Å; A84-F158 HydrophobicContact CB-CG 4.3Å
85R89Confident77.5Confident184 Ų18473.5 Ų73.569%0.69434%0.343SS*.EExtended strand (participates in β ladder)trans-96.2128.3176-171.9174.9179.9179.6-0.2109.9
86V89.4Confident77.7Confident14 Ų1471.1 Ų71.19%0.08533%0.329CS..  trans-79131.4175.9-175.40000108.9A67 E68 V70 R156 F174A67-V86 VanDerWaalsContact O-CB 3.31Å; A67-V86 WeakPolarHBondContact O-CB 3.32Å; A67-V86 VanDerWaalsContact O-CG2 3.29Å; A67-V86 WeakPolarHBondContact O-CG2 3.42Å; E68-V86 PolarHBondContact O-N 3.48Å; V70-V86 HydrophobicContact CB-CG2 4.46Å; V70-V86 HydrophobicContact CG2-CG2 3.52Å; V86-R156 HydrophobicContact CG1-CB 4.06Å; V86-F174 HydrophobicContact CG1-CZ 4.47Å; V86-F174 HydrophobicContact CG2-CZ 4.41Å
87R89.1Confident78Confident149 Ų14970.6 Ų70.656%0.56232%0.324SS*.EExtended strand (participates in β ladder)trans-113.2156177.6-61.7-177.4-178.6-168.6-1.7109.1R156 Y157R87-R156 WeakPolarHBondContact O-CA 2.92Å; R87-Y157 HydrophobicContact CB-CD1 4.24Å; R87-Y157 HydrophobicContact CB-CE1 3.75Å; R87-Y157 HydrophobicContact CB-CE2 4.38Å; R87-Y157 PolarHBondContact N-O 3.49Å; R87-Y157 PolarHBondContact O-N 3.37Å
88V85.7Confident78.6Confident82 Ų8267.4 Ų67.450%0.49731%0.309SS..EExtended strand (participates in β ladder)trans-114.8128.4175.4-173.70000108Q154 I155 R156V88-Q154 HydrophobicContact CG1-CB 3.94Å; V88-Q154 HydrophobicContact CG1-CG 4.21Å; V88-I155 WeakPolarHBondContact CA-O 3.13Å; V88-R156 HydrophobicContact CG2-CG 4.38Å
89M83.1Confident78.4Confident33 Ų3366.8 Ų66.816%0.16331%0.313CS..EExtended strand (participates in β ladder)trans-107.2138.3170.7-176.3169.87600108.6A91 I155 Y157 Y166 F209M89-A91 HydrophobicContact CE-CB 4.27Å; M89-I155 PolarHBondContact N-O 2.84Å; M89-I155 PolarHBondContact O-N 3.06Å; M89-Y157 HydrophobicContact CB-CD1 4.09Å; M89-Y157 HydrophobicContact CB-CE1 3.82Å; M89-Y166 HydrophobicContact CE-CE1 4.4Å; M89-F209 HydrophobicContact CE-CD1 4.25Å; M89-F209 HydrophobicContact CE-CE1 4.31Å
90L79.5Confident77.5Confident87 Ų8760.5 Ų60.546%0.45529%0.291SS..EExtended strand (participates in β ladder)trans-93.4118169.2-72.8159.4000107.7P152 Q154L90-P152 HydrophobicContact CB-CB 4.36Å; L90-P152 HydrophobicContact CD2-CB 3.97Å; L90-P152 HydrophobicContact CD2-CG 4.33Å; L90-Q154 HydrophobicContact CD2-CG 3.76Å
91A76.1Confident76Confident1 Ų162.1 Ų62.11%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-125.8144.6-179.700000110.8M89 G93 T153 I155 F209M89-A91 HydrophobicContact CE-CB 4.27Å; A91-G93 PolarHBondContact O-N 3.09Å; A91-G93 VanDerWaalsContact O-N 3.11Å; A91-T153 PolarHBondContact N-O 3.12Å; A91-T153 PolarHBondContact O-N 3.17Å; A91-T153 PolarHBondContact O-OG1 3.42Å; A91-I155 HydrophobicContact CB-CD1 3.78Å; A91-I155 HydrophobicContact CB-CG1 4.39Å; A91-F209 HydrophobicContact CB-CZ 4.04Å
92P70.9Confident74Confident13 Ų1363.8 Ų63.88%0.08432%0.32CS..SBendtrans-58.8-19.3177.4-27.135.8000115.2L100 F147 Y150 Y205P92-L100 HydrophobicContact CB-CD2 3.7Å; P92-F147 HydrophobicContact CB-CB 4.43Å; P92-F147 HydrophobicContact CG-CB 3.68Å; P92-F147 HydrophobicContact CG-CD1 4.43Å; P92-F147 HydrophobicContact CG-CD2 4.41Å; P92-F147 HydrophobicContact CG-CG 3.94Å; P92-Y150 HydrophobicContact CB-CG 4.46Å; P92-Y205 HydrophobicContact CB-CE2 4.12Å; P92-Y205 HydrophobicContact CG-CD2 4.44Å; P92-Y205 HydrophobicContact CG-CE2 4.33Å
93G72.4Confident71.9Confident1 Ų165.5 Ų65.51%0.0133%0.329CS..SBendtrans-154.6169.2176.200000111.7A91 T153 Y205A91-G93 PolarHBondContact O-N 3.09Å; A91-G93 VanDerWaalsContact O-N 3.11Å; G93-T153 PolarHBondContact O-OG1 3.24Å; G93-Y205 WeakPolarHBondContact CA-OH 3.45Å; G93-Y205 PolarHBondContact O-OH 3.01Å
94S68.5Low69.5Low82 Ų8265.7 Ų65.757%0.57333%0.334SS*.SBendtrans-85.3-23.5-174.152.90000114.6
95N74.6Confident66.8Low53 Ų5371.6 Ų71.628%0.28337%0.37SS..  trans-122.6133.5-176.7-169.8-35.9000110.5F97 Y205N95-F97 PolarHBondContact O-N 2.72Å; N95-F97 PolarHBondContact OD1-N 2.87Å; N95-Y205 WeakPolarHBondContact O-CE1 3.41Å; N95-Y205 PolarHBondContact O-OH 3.16Å
96P74.4Confident64Low8 Ų867.7 Ų67.75%0.05237%0.371CS..THydrogen-bonded Turntrans-64.8-17.817724.8-34.8000115.1L177 R206 F209 F210P96-L177 HydrophobicContact CG-CD1 4.32Å; P96-R206 WeakPolarHBondContact O-CG 3.1Å; P96-F209 HydrophobicContact CB-CB 4.02Å; P96-F209 HydrophobicContact CB-CD1 4.28Å; P96-F209 HydrophobicContact CB-CD2 3.77Å; P96-F209 HydrophobicContact CB-CE2 4.28Å; P96-F209 HydrophobicContact CB-CG 3.78Å; P96-F209 HydrophobicContact CG-CB 4.48Å; P96-F209 HydrophobicContact CG-CD1 4.39Å; P96-F209 HydrophobicContact CG-CG 4.31Å; P96-F210 HydrophobicContact CB-CE2 3.98Å; P96-F210 HydrophobicContact CG-CE2 4.2Å; P96-F210 HydrophobicContact CG-CZ 4.4Å
97F72.9Confident61.4Low33 Ų3372.6 Ų72.615%0.14540%0.403CS..THydrogen-bonded Turntrans-103.4-12.3-173-60.4-70.3000115N95 G179 L180 L183 F210N95-F97 PolarHBondContact O-N 2.72Å; N95-F97 PolarHBondContact OD1-N 2.87Å; F97-G179 VanDerWaalsContact CZ-O 3.3Å; F97-G179 WeakPolarHBondContact CZ-O 3.39Å; F97-L180 HydrophobicContact CE1-CD1 4.28Å; F97-L183 HydrophobicContact CB-CD1 4.03Å; F97-L183 HydrophobicContact CB-CD2 3.85Å; F97-L183 HydrophobicContact CB-CG 4.35Å; F97-L183 HydrophobicContact CD1-CD1 3.54Å; F97-L183 HydrophobicContact CD1-CG 4.32Å; F97-L183 HydrophobicContact CD2-CD1 3.91Å; F97-L183 HydrophobicContact CD2-CD2 3.82Å; F97-L183 HydrophobicContact CD2-CG 3.74Å; F97-L183 HydrophobicContact CE1-CD1 3.88Å; F97-L183 HydrophobicContact CE2-CD1 4.21Å; F97-L183 HydrophobicContact CE2-CG 4.04Å; F97-L183 HydrophobicContact CG-CD1 3.56Å; F97-L183 HydrophobicContact CG-CD2 3.9Å; F97-L183 HydrophobicContact CG-CG 3.89Å; F97-L183 HydrophobicContact CZ-CD1 4.2Å; F97-L183 HydrophobicContact CZ-CG 4.45Å; F97-F210 HydrophobicContact CE1-CE2 4.37Å; F97-F210 HydrophobicContact CE1-CZ 4.46Å; F97-F210 HydrophobicContact CE2-CZ 4.1Å; F97-F210 AromaticContact CZ-CE2 3.94Å; F97-F210 HydrophobicContact CZ-CE2 3.94Å; F97-F210 AromaticContact CZ-CZ 3.63Å; F97-F210 HydrophobicContact CZ-CZ 3.63Å
98H70.1Confident58.8Low108 Ų10871.6 Ų71.650%0.542%0.416SS..SBendtrans-74.1140.4175.6-84.6-60.5000112
99S57.6Low56.3Low51 Ų5173.4 Ų73.436%0.35743%0.432SS..  trans-70.2127.717357.20000110.4E101 T102S99-E101 PolarHBondContact O-N 2.99Å; S99-T102 PolarHBondContact O-N 3.01Å; S99-T102 PolarHBondContact O-OG1 3.31Å; S99-T102 PolarHBondContact OG-OG1 2.76Å
100L54.3Low54Low27 Ų2776.6 Ų76.614%0.14146%0.458CS..THydrogen-bonded Turntrans-59.3-18.9177.5-83150.8000113.3P92 F147 Y150 Y205P92-L100 HydrophobicContact CB-CD2 3.7Å; L100-F147 HydrophobicContact CD1-CD1 4.48Å; L100-F147 HydrophobicContact CD1-CE1 3.93Å; L100-Y150 HydrophobicContact CB-CE1 4.26Å; L100-Y150 HydrophobicContact CD2-CD1 3.99Å; L100-Y150 HydrophobicContact CD2-CD2 4.46Å; L100-Y150 HydrophobicContact CD2-CE1 3.99Å; L100-Y150 HydrophobicContact CD2-CE2 4.46Å; L100-Y150 HydrophobicContact CD2-CG 4.23Å; L100-Y150 WeakPolarHBondContact O-CE1 3.36Å; L100-Y205 HydrophobicContact CD1-CD1 4.43Å; L100-Y205 HydrophobicContact CD1-CD2 3.92Å; L100-Y205 HydrophobicContact CD1-CE2 4.35Å; L100-Y205 HydrophobicContact CD1-CG 3.97Å
101E46.6Very low52Low161 Ų16178.1 Ų78.175%0.75247%0.473SS*.THydrogen-bonded Turntrans-78-23.2-179.6-67.1175.9171.100113.9S99 T104S99-E101 PolarHBondContact O-N 2.99Å; E101-T104 PolarHBondContact O-OG1 2.92Å
102T40.7Very low50.2Low88 Ų8883.6 Ų83.654%0.5451%0.508SS..THydrogen-bonded Turntrans-81-13.3-178.339.10000113.8S99S99-T102 PolarHBondContact O-N 3.01Å; S99-T102 PolarHBondContact O-OG1 3.31Å; S99-T102 PolarHBondContact OG-OG1 2.76Å
103Q41.4Very low48.5Very low102 Ų10288.5 Ų88.548%0.47754%0.54SS..THydrogen-bonded Turntrans-88.2-4.3178.2-65.2-171.18.600113.9T105Q103-T105 PolarHBondContact O-N 2.88Å
104T35.3Very low46.8Very low96 Ų9694.4 Ų94.459%0.58958%0.578SS**  trans-91.267.4171.838.80000111.7E101E101-T104 PolarHBondContact O-OG1 2.92Å
105T31.8Very low45.2Very low131 Ų13195.8 Ų95.880%0.80459%0.588SS**  trans-125.263163.245.80000111Q103Q103-T105 PolarHBondContact O-N 2.88Å
106S29.7Very low43Very low102 Ų10299.1 Ų99.171%0.71361%0.614SS**SBendtrans-142.3125.614653.90000108.5
107P33.9Very low41.3Very low116 Ų116104 Ų10475%0.75365%0.646SS**  trans-66.6144.6178.326.9-31.3000109.5S109P107-S109 PolarHBondContact O-N 2.81Å
108P35.5Very low39.4Very low128 Ų128112 Ų11283%0.83168%0.681SS**  trans-65110.8175.725.1-30.6000109.6S110P108-S110 VanDerWaalsContact C-N 3.34Å; P108-S110 PolarHBondContact O-N 3.27Å; P108-S110 VanDerWaalsContact O-N 3.12Å
109S33.7Very low37.3Very low120 Ų120112.7 Ų112.784%0.83970%0.698SS**  trans-82.674.3174.449.20000110.7P107P107-S109 PolarHBondContact O-N 2.81Å
110S33.6Very low35.9Very low101 Ų101115.8 Ų115.871%0.70672%0.719SS**  trans173.1138.2147.237.70000111.1P108P108-S110 VanDerWaalsContact C-N 3.34Å; P108-S110 PolarHBondContact O-N 3.27Å; P108-S110 VanDerWaalsContact O-N 3.12Å
111P37.3Very low35.3Very low119 Ų119120.5 Ų120.577%0.77375%0.752SS**PPolyproline II helixtrans-73.6149.2169.931.2-31.3000110.2
112P39.1Very low34.3Very low115 Ų115118.4 Ų118.475%0.74776%0.755SS**PPolyproline II helixtrans-68.7148.2173.629.3-32.2000110.4
113P35.5Very low34Very low116 Ų116119.8 Ų119.875%0.75377%0.765SS**PPolyproline II helixtrans-67.1149.5174.928.2-32.2000110.6S115P113-S115 PolarHBondContact O-N 3.47Å
114P36.3Very low33.7Very low126 Ų126120.1 Ų120.182%0.81878%0.779SS**PPolyproline II helixtrans-67130.9-175.326.6-32.3000111.2
115S34.6Very low33.5Very low111 Ų111121.5 Ų121.578%0.77679%0.79SS**PPolyproline II helixtrans-64.4128.2174.449.10000112.1P113P113-S115 PolarHBondContact O-N 3.47Å
116C28.1Very low33.6Very low123 Ų123123 Ų12383%0.83179%0.792SS**PPolyproline II helixtrans-62.2135.5163.1-68.70000110.6F118C116-F118 PolarHBondContact O-N 2.81Å
117P39.1Very low34Very low110 Ų110122 Ų12271%0.71479%0.79SS**  trans-98.480-173.836.4-30.6000111.3
118F32.4Very low33.6Very low200 Ų200124.5 Ų124.588%0.87780%0.797SS**  trans-157.998.9162.5-88-72.4000111.4C116C116-F118 PolarHBondContact O-N 2.81Å
119S27.5Very low33.5Very low124 Ų124121.7 Ų121.787%0.86779%0.791SS**  173131.2127.441.10000111.1
120S28.1Very low33.1Very low115 Ų115124.8 Ų124.880%0.80479%0.792SS**  trans-78.6172-176.950.90000112.8
121P41Very low33Very low127 Ų127126.9 Ų126.983%0.82580%0.8SS**  trans-87.2157.3-155.236.3-32.9000112.8
122S26.8Very low32.4Very low117 Ų117126.9 Ų126.982%0.81880%0.8SS**  trans-133.6148.1162.363.30000111.5
123P33.2Very low31.8Very low116 Ų116129.9 Ų129.975%0.75380%0.804SS**  trans-99.1165.4-154.135.9-27000113.4
124S35.8Very low31.5Very low109 Ų109130.5 Ų130.576%0.76281%0.808SS**  trans-44.5149.5168.753.30000114.4
125P30.6Very low31.1Very low126 Ų126129.6 Ų129.682%0.81881%0.805SS**  trans-121124.114526.4-10.1000111.9
126L33.3Very low30.9Very low163 Ų163132.5 Ų132.585%0.85381%0.812SS**  trans-64.6149.2156-100.5130.4000110.8
127A38.3Very low30.9Very low80 Ų80129.4 Ų129.466%0.66180%0.8SS**  trans63.8111.9153.300000118.9
128N25.1Very low30.9Very low168 Ų168126.9 Ų126.990%0.89879%0.785SS**  -160.2133.2117.2-98.3-24000111.2H130N128-H130 PolarHBondContact O-N 3.43Å
129G34.9Very low31.4Very low69 Ų69122.6 Ų122.671%0.71178%0.777SS**  trans-70.7121.9-177.200000112.1
130H25.6Very low32.2Very low185 Ų185118.4 Ų118.486%0.85675%0.751SS**  trans-151.1115.5146.5-88.8-58.5000106.7N128 P132N128-H130 PolarHBondContact O-N 3.43Å; H130-P132 VanDerWaalsContact O-CD 3.26Å; H130-P132 WeakPolarHBondContact O-CD 3.38Å
131T30.5Very low33Very low145 Ų145118.2 Ų118.289%0.8974%0.737SS**  trans-70.9118.916741.60000109.4
132P25.8Very low33.3Very low119 Ų119118.2 Ų118.277%0.77373%0.726SS**  trans-92.9138158.112.88.2000109.4H130H130-P132 VanDerWaalsContact O-CD 3.26Å; H130-P132 WeakPolarHBondContact O-CD 3.38Å
133H24.6Very low34.4Very low179 Ų179114 Ų11483%0.82969%0.694SS**  trans-41.5144.5170.7-95.8-85.3000114.2S135H133-S135 PolarHBondContact O-N 2.69Å; H133-S135 VanDerWaalsContact O-N 3.15Å
134P29.1Very low35.3Very low128 Ų128112.4 Ų112.483%0.83168%0.679SS**  trans-76.6103.6176.130.8-30.3000110
135S28.4Very low36.1Very low108 Ų108116.2 Ų116.276%0.75568%0.676SS**  trans-88.4115.4166.753.60000110.4H133 G137H133-S135 PolarHBondContact O-N 2.69Å; H133-S135 VanDerWaalsContact O-N 3.15Å; S135-G137 VanDerWaalsContact C-N 3.3Å; S135-G137 PolarHBondContact O-N 2.76Å
136D32Very low37.2Very low172 Ų172118.7 Ų118.792%0.9267%0.669SS**SBendtrans38.336.1146.6-89.3-10.3000120
137G28Very low38.2Very low57 Ų57112.3 Ų112.359%0.58863%0.634SS**  trans-94.4108.3163.200000109.9S135S135-G137 VanDerWaalsContact C-N 3.3Å; S135-G137 PolarHBondContact O-N 2.76Å
138S38.2Very low38.7Very low57 Ų57112.4 Ų112.440%0.39963%0.63SS.*  trans-61.9142172.165.50000109.7A140 Q141S138-A140 PolarHBondContact O-N 2.8Å; S138-Q141 PolarHBondContact O-N 3.02Å; S138-Q141 PolarHBondContact OG-OE1 2.81Å
139P43.6Very low40Very low110 Ų110114.8 Ų114.871%0.71463%0.628SS**Hα-helixtrans-56.3-19.1175.818.6-29.8000113.2L143P139-L143 PolarHBondContact O-N 3.48Å
140A42.9Very low41Very low37 Ų37114.9 Ų114.931%0.30661%0.608SS.*Hα-helixtrans-66-32.9171.600000113.8S138 L143 I144S138-A140 PolarHBondContact O-N 2.8Å; A140-L143 PolarHBondContact O-N 2.88Å; A140-I144 WeakPolarHBondContact O-CB 3.46Å; A140-I144 VanDerWaalsContact O-CD1 3.29Å; A140-I144 WeakPolarHBondContact O-CD1 3.22Å; A140-I144 WeakPolarHBondContact O-CG1 3.33Å; A140-I144 PolarHBondContact O-N 2.98Å
141Q45.4Very low42.5Very low111 Ų111114.7 Ų114.752%0.51961%0.607SS.*Hα-helixtrans-72.9-35.3-179.8-83.4163.8-41.900112.8S138 R145S138-Q141 PolarHBondContact O-N 3.02Å; S138-Q141 PolarHBondContact OG-OE1 2.81Å; Q141-R145 PolarHBondContact O-N 3.38Å
142E46.8Very low44.2Very low126 Ų126111.6 Ų111.659%0.58959%0.589SS**Hα-helixtrans-68.6-37.6174.2-160.365.4-155.500110.9R145 R146E142-R145 WeakPolarHBondContact O-CB 3.29Å; E142-R145 PolarHBondContact O-N 3.13Å; E142-R146 PolarHBondContact O-N 3.3Å
143L50.7Low46.5Very low30 Ų30108.1 Ų108.116%0.15757%0.566CS.*Hα-helixtrans-65.9-42.2173.7-105.9150.7000112.9P139 A140 R145 R146 F147 E204P139-L143 PolarHBondContact O-N 3.48Å; A140-L143 PolarHBondContact O-N 2.88Å; L143-R145 PolarHBondContact O-N 3.4Å; L143-R146 PolarHBondContact O-N 3.27Å; L143-R146 VanDerWaalsContact O-N 3.11Å; L143-F147 HydrophobicContact CD2-CD2 3.96Å; L143-F147 HydrophobicContact CD2-CE2 3.57Å; L143-F147 WeakPolarHBondContact O-CD2 3.49Å; L143-F147 PolarHBondContact O-N 3.38Å; L143-F147 VanDerWaalsContact O-N 3.15Å; L143-E204 HydrophobicContact CD2-CB 4.07Å
144I52.5Low49.2Very low82 Ų82106.7 Ų106.742%0.42156%0.56SS.*Hα-helixtrans-62.6-32.7175.1-70.8161.1000111.3A140 S148A140-I144 WeakPolarHBondContact O-CB 3.46Å; A140-I144 VanDerWaalsContact O-CD1 3.29Å; A140-I144 WeakPolarHBondContact O-CD1 3.22Å; A140-I144 WeakPolarHBondContact O-CG1 3.33Å; A140-I144 PolarHBondContact O-N 2.98Å; I144-S148 PolarHBondContact O-N 2.89Å
145R51.5Low51.8Low188 Ų188101.3 Ų101.371%0.70952%0.524SS*.Hα-helixtrans-66.7-35.7172.8-96-176.8173.5177.4-1.8113.1Q141 E142 L143 S148Q141-R145 PolarHBondContact O-N 3.38Å; E142-R145 WeakPolarHBondContact O-CB 3.29Å; E142-R145 PolarHBondContact O-N 3.13Å; L143-R145 PolarHBondContact O-N 3.4Å; R145-S148 WeakPolarHBondContact O-CB 3.39Å; R145-S148 PolarHBondContact O-OG 3.42Å
146R53.5Low54.6Low179 Ų17998.8 Ų98.868%0.67550%0.498SS*.Hα-helixtrans-72.3-33.4176.8-85.6-175.8175176-1.3113.2E142 L143E142-R146 PolarHBondContact O-N 3.3Å; L143-R146 PolarHBondContact O-N 3.27Å; L143-R146 VanDerWaalsContact O-N 3.11Å
147F54.3Low57.3Low28 Ų2892.6 Ų92.612%0.12346%0.462CS..THydrogen-bonded Turntrans-94.917.1178-69.3-74.2000113.9P92 L100 L143 Y149 Y150P92-F147 HydrophobicContact CB-CB 4.43Å; P92-F147 HydrophobicContact CG-CB 3.68Å; P92-F147 HydrophobicContact CG-CD1 4.43Å; P92-F147 HydrophobicContact CG-CD2 4.41Å; P92-F147 HydrophobicContact CG-CG 3.94Å; L100-F147 HydrophobicContact CD1-CD1 4.48Å; L100-F147 HydrophobicContact CD1-CE1 3.93Å; L143-F147 HydrophobicContact CD2-CD2 3.96Å; L143-F147 HydrophobicContact CD2-CE2 3.57Å; L143-F147 WeakPolarHBondContact O-CD2 3.49Å; L143-F147 PolarHBondContact O-N 3.38Å; L143-F147 VanDerWaalsContact O-N 3.15Å; F147-Y149 PolarHBondContact O-N 3.21Å; F147-Y150 HydrophobicContact CB-CD2 4.37Å; F147-Y150 AromaticContact CD1-CD2 3.99Å; F147-Y150 HydrophobicContact CD1-CD2 3.99Å; F147-Y150 AromaticContact CD1-CE2 4Å; F147-Y150 HydrophobicContact CD1-CE2 4Å; F147-Y150 PolarHBondContact O-N 3.34Å
148S49.9Very low60.3Low82 Ų8289.9 Ų89.957%0.57343%0.434SS*.THydrogen-bonded Turntrans-62.4-11.5-175.965.20000115.1I144 R145I144-S148 PolarHBondContact O-N 2.89Å; R145-S148 WeakPolarHBondContact O-CB 3.39Å; R145-S148 PolarHBondContact O-OG 3.42Å
149Y51Low62.6Low219 Ų21990.4 Ų90.486%0.85944%0.435SS*.THydrogen-bonded Turntrans-80.1-14.2176.1-69.6-83.2000113.6F147F147-Y149 PolarHBondContact O-N 3.21Å
150Y57.1Low64.7Low71 Ų7186 Ų8628%0.27840%0.404SS..SBendtrans-96140.5177.8-66-86.8000110.9P92 L100 F147 P152P92-Y150 HydrophobicContact CB-CG 4.46Å; L100-Y150 HydrophobicContact CB-CE1 4.26Å; L100-Y150 HydrophobicContact CD2-CD1 3.99Å; L100-Y150 HydrophobicContact CD2-CD2 4.46Å; L100-Y150 HydrophobicContact CD2-CE1 3.99Å; L100-Y150 HydrophobicContact CD2-CE2 4.46Å; L100-Y150 HydrophobicContact CD2-CG 4.23Å; L100-Y150 WeakPolarHBondContact O-CE1 3.36Å; F147-Y150 HydrophobicContact CB-CD2 4.37Å; F147-Y150 AromaticContact CD1-CD2 3.99Å; F147-Y150 HydrophobicContact CD1-CD2 3.99Å; F147-Y150 AromaticContact CD1-CE2 4Å; F147-Y150 HydrophobicContact CD1-CE2 4Å; F147-Y150 PolarHBondContact O-N 3.34Å; Y150-P152 VanDerWaalsContact O-CD 3.25Å; Y150-P152 WeakPolarHBondContact O-CD 3.28Å
151Q56.3Low66.6Low181 Ų18186 Ų8685%0.84640%0.398SS*.  trans-69.5112178.5-156.1169.91.400109T153Q151-T153 PolarHBondContact O-N 3.15Å
152P65.8Low68.4Low79 Ų7982.6 Ų82.651%0.51339%0.387SS..  trans-72.5123.9-168.328-33.8000110.9L90 Y150L90-P152 HydrophobicContact CB-CB 4.36Å; L90-P152 HydrophobicContact CD2-CB 3.97Å; L90-P152 HydrophobicContact CD2-CG 4.33Å; Y150-P152 VanDerWaalsContact O-CD 3.25Å; Y150-P152 WeakPolarHBondContact O-CD 3.28Å
153T74.8Confident70.2Confident46 Ų4677 Ų7728%0.28236%0.361SS..EExtended strand (participates in β ladder)trans-80.7139.7171.6610000110.4A91 G93 Q151A91-T153 PolarHBondContact N-O 3.12Å; A91-T153 PolarHBondContact O-N 3.17Å; A91-T153 PolarHBondContact O-OG1 3.42Å; G93-T153 PolarHBondContact O-OG1 3.24Å; Q151-T153 PolarHBondContact O-N 3.15Å
154Q80.6Confident71.9Confident149 Ų14978.9 Ų78.970%0.69637%0.368SS*.EExtended strand (participates in β ladder)trans-92113.4176.8-70.4-175.516.400109.9V88 L90V88-Q154 HydrophobicContact CG1-CB 3.94Å; V88-Q154 HydrophobicContact CG1-CG 4.21Å; L90-Q154 HydrophobicContact CD2-CG 3.76Å
155I83.8Confident73.5Confident15 Ų1575.1 Ų75.18%0.07735%0.348CS..EExtended strand (participates in β ladder)trans-107.3124.2179-54.5-176.7000109V88 M89 A91 Y166 F209V88-I155 WeakPolarHBondContact CA-O 3.13Å; M89-I155 PolarHBondContact N-O 2.84Å; M89-I155 PolarHBondContact O-N 3.06Å; A91-I155 HydrophobicContact CB-CD1 3.78Å; A91-I155 HydrophobicContact CB-CG1 4.39Å; I155-Y166 HydrophobicContact CG2-CD1 3.86Å; I155-F209 HydrophobicContact CD1-CE1 3.43Å; I155-F209 VanDerWaalsContact CD1-CE1 3.43Å; I155-F209 HydrophobicContact CD1-CZ 3.83Å
156R87.3Confident75.3Confident55 Ų5566.9 Ų66.921%0.20832%0.318CS..EExtended strand (participates in β ladder)trans-90.3133.5177.2-59.1-179.977.8143.60.8109.6R65 D66 A67 V86 R87 V88 W167R65-R156 WeakPolarHBondContact O-CD 3.29Å; R65-R156 PolarHBondContact O-NE 2.87Å; R65-R156 PolarHBondContact O-NH1 3.32Å; D66-R156 PolarHBondContact O-NH2 3.4Å; D66-R156 IonicContact OD1-NH1 2.95Å; A67-R156 PolarHBondContact O-NH2 3.02Å; V86-R156 HydrophobicContact CG1-CB 4.06Å; R87-R156 WeakPolarHBondContact O-CA 2.92Å; V88-R156 HydrophobicContact CG2-CG 4.38Å; R156-W167 HydrophobicContact CB-CB 4.08Å; R156-W167 PolarHBondContact O-N 2.95Å
157Y89.9Confident76.9Confident42 Ų4259.7 Ų59.717%0.16529%0.29CS..EExtended strand (participates in β ladder)trans-147.6157.8176.677.1-80.4000111.7R87 M89 Y165 Y166R87-Y157 HydrophobicContact CB-CD1 4.24Å; R87-Y157 HydrophobicContact CB-CE1 3.75Å; R87-Y157 HydrophobicContact CB-CE2 4.38Å; R87-Y157 PolarHBondContact N-O 3.49Å; R87-Y157 PolarHBondContact O-N 3.37Å; M89-Y157 HydrophobicContact CB-CD1 4.09Å; M89-Y157 HydrophobicContact CB-CE1 3.82Å; Y157-Y165 CarbonylContact C-O 3.53Å; Y157-Y165 WeakPolarHBondContact CA-O 3.37Å; Y157-Y165 VanDerWaalsContact CB-O 3.26Å; Y157-Y165 WeakPolarHBondContact CB-O 3.36Å; Y157-Y166 HydrophobicContact CG-CD1 4.4Å; Y157-Y166 HydrophobicContact CG-CE1 4.1Å
158F90.6Very high78.3Confident1 Ų160.4 Ų60.40%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-133.4162.616567.4-91.8000109.9L9 L19 L72 A84 F160 K164 Y165 F174L9-F158 HydrophobicContact CD1-CZ 3.99Å; L19-F158 HydrophobicContact CD1-CE1 4.19Å; L19-F158 HydrophobicContact CD1-CZ 4.25Å; L72-F158 HydrophobicContact CD1-CE2 4.28Å; A84-F158 HydrophobicContact CB-CB 4.45Å; A84-F158 HydrophobicContact CB-CD2 3.82Å; A84-F158 HydrophobicContact CB-CE2 4.44Å; A84-F158 HydrophobicContact CB-CG 4.3Å; F158-F160 HydrophobicContact CD2-CB 4.06Å; F158-F160 HydrophobicContact CE2-CB 3.84Å; F158-K164 WeakPolarHBondContact O-CA 3.43Å; F158-Y165 HydrophobicContact CD2-CD2 4.26Å; F158-Y165 HydrophobicContact CE1-CG 4.29Å; F158-Y165 AromaticContact CE2-CD2 3.63Å; F158-Y165 HydrophobicContact CE2-CD2 3.63Å; F158-Y165 HydrophobicContact CE2-CE2 4.34Å; F158-Y165 AromaticContact CE2-CG 3.82Å; F158-Y165 HydrophobicContact CE2-CG 3.82Å; F158-Y165 HydrophobicContact CZ-CD1 4.21Å; F158-Y165 AromaticContact CZ-CD2 3.98Å; F158-Y165 HydrophobicContact CZ-CD2 3.98Å; F158-Y165 AromaticContact CZ-CG 3.66Å; F158-Y165 HydrophobicContact CZ-CG 3.66Å; F158-Y165 PolarHBondContact N-O 3.42Å; F158-Y165 PolarHBondContact O-N 2.96Å; F158-F174 AromaticContact CD1-CD1 3.79Å; F158-F174 HydrophobicContact CD1-CD1 3.79Å; F158-F174 HydrophobicContact CD1-CD2 4.49Å; F158-F174 AromaticContact CD1-CE1 3.8Å; F158-F174 HydrophobicContact CD1-CE1 3.8Å; F158-F174 HydrophobicContact CD1-CE2 4.49Å; F158-F174 HydrophobicContact CD1-CG 4.16Å; F158-F174 HydrophobicContact CD1-CZ 4.17Å; F158-F174 HydrophobicContact CE1-CB 3.91Å; F158-F174 AromaticContact CE1-CD1 3.62Å; F158-F174 HydrophobicContact CE1-CD1 3.62Å; F158-F174 AromaticContact CE1-CD2 3.82Å; F158-F174 HydrophobicContact CE1-CD2 3.82Å; F158-F174 HydrophobicContact CE1-CE1 4.02Å; F158-F174 HydrophobicContact CE1-CE2 4.19Å; F158-F174 AromaticContact CE1-CG 3.52Å; F158-F174 HydrophobicContact CE1-CG 3.52Å; F158-F174 HydrophobicContact CE1-CZ 4.29Å
159T87Confident79.8Confident68 Ų6860.7 Ų60.742%0.41729%0.29SS..EExtended strand (participates in β ladder)trans-115.1126.4176.2-51.90000108.9T163T159-T163 CarbonylContact C-O 3.46Å; T159-T163 VanDerWaalsContact CA-O 3.29Å; T159-T163 WeakPolarHBondContact CA-O 3.49Å; T159-T163 WeakPolarHBondContact CG2-O 3.42Å
160F86.5Confident81.2Confident16 Ų1658.8 Ų58.87%0.0729%0.29CS..EExtended strand (participates in β ladder)trans-135.3132.9177.2179.7-99.3000109M17 L72 F82 F158 S162 T163 Y165M17-F160 HydrophobicContact CE-CD1 4.38Å; M17-F160 HydrophobicContact CE-CE1 3.35Å; M17-F160 HydrophobicContact CE-CZ 3.87Å; M17-F160 HydrophobicContact SD-CD1 4.39Å; M17-F160 HydrophobicContact SD-CE1 3.58Å; M17-F160 VanDerWaalsContact SD-CE1 3.58Å; M17-F160 HydrophobicContact SD-CZ 3.83Å; L72-F160 HydrophobicContact CD1-CB 4.25Å; L72-F160 HydrophobicContact CD1-CD1 4.23Å; L72-F160 HydrophobicContact CD1-CD2 3.47Å; L72-F160 VanDerWaalsContact CD1-CD2 3.47Å; L72-F160 HydrophobicContact CD1-CE2 3.8Å; L72-F160 HydrophobicContact CD1-CG 3.7Å; L72-F160 HydrophobicContact CD1-CZ 4.3Å; F82-F160 HydrophobicContact CB-CE2 3.71Å; F82-F160 HydrophobicContact CB-CZ 4.38Å; F82-F160 HydrophobicContact CD1-CE2 4.17Å; F82-F160 HydrophobicContact CD1-CZ 4.47Å; F82-F160 HydrophobicContact CD2-CE2 4.35Å; F82-F160 HydrophobicContact CD2-CZ 4.19Å; F82-F160 AromaticContact CG-CE2 3.83Å; F82-F160 HydrophobicContact CG-CE2 3.83Å; F82-F160 HydrophobicContact CG-CZ 4.1Å; F158-F160 HydrophobicContact CD2-CB 4.06Å; F158-F160 HydrophobicContact CE2-CB 3.84Å; F160-S162 VanDerWaalsContact C-N 3.29Å; F160-S162 PolarHBondContact O-N 2.93Å; F160-T163 PolarHBondContact N-O 3.33Å; F160-T163 WeakPolarHBondContact O-CB 3.14Å; F160-T163 PolarHBondContact O-N 2.95Å; F160-Y165 HydrophobicContact CB-CD2 4.35Å; F160-Y165 HydrophobicContact CB-CE2 4.09Å
161H83.6Confident82.1Confident37 Ų3761.2 Ų61.217%0.17131%0.305CS..THydrogen-bonded Turntrans43.550-175.8-67.8-179.5000113.8T163 R413 Y417H161-T163 PolarHBondContact O-N 3.47Å; H161-T163 VanDerWaalsContact O-N 3.11Å; H161-T163 PolarHBondContact O-OG1 3.19Å; H161-R413 WeakPolarHBondContact O-CD 3.47Å; H161-R413 WeakPolarHBondContact O-CG 3.12Å; H161-Y417 HydrophobicContact CB-CD2 3.64Å; H161-Y417 HydrophobicContact CB-CE2 3.94Å; H161-Y417 HydrophobicContact CB-CG 3.97Å; H161-Y417 AromaticContact CD2-CD1 3.56Å; H161-Y417 AromaticContact CD2-CE1 3.94Å; H161-Y417 AromaticContact CD2-CG 3.74Å; H161-Y417 AromaticContact CG-CD1 3.98Å; H161-Y417 AromaticContact CG-CD2 3.87Å; H161-Y417 AromaticContact CG-CG 3.64Å; H161-Y417 AromaticContact ND1-CG 3.95Å; H161-Y417 AromaticContact NE2-CD1 3.85Å
162S82.9Confident83.4Confident41 Ų4156.1 Ų56.129%0.28728%0.281SS..THydrogen-bonded Turntrans63.58.2-177.3-57.20000116.7F160F160-S162 VanDerWaalsContact C-N 3.29Å; F160-S162 PolarHBondContact O-N 2.93Å
163T83.4Confident84.4Confident8 Ų853.6 Ų53.65%0.04926%0.263CS..EExtended strand (participates in β ladder)trans-108.9137.3177.9-49.30000110.3T159 F160 H161 Y165 V176 R413T159-T163 CarbonylContact C-O 3.46Å; T159-T163 VanDerWaalsContact CA-O 3.29Å; T159-T163 WeakPolarHBondContact CA-O 3.49Å; T159-T163 WeakPolarHBondContact CG2-O 3.42Å; F160-T163 PolarHBondContact N-O 3.33Å; F160-T163 WeakPolarHBondContact O-CB 3.14Å; F160-T163 PolarHBondContact O-N 2.95Å; H161-T163 PolarHBondContact O-N 3.47Å; H161-T163 VanDerWaalsContact O-N 3.11Å; H161-T163 PolarHBondContact O-OG1 3.19Å; T163-Y165 HydrophobicContact CG2-CE2 4.12Å; T163-V176 HydrophobicContact CG2-CB 4.33Å; T163-V176 HydrophobicContact CG2-CG1 3.53Å; T163-V176 HydrophobicContact CG2-CG2 3.78Å; T163-R413 WeakPolarHBondContact OG1-CD 3.36Å; T163-R413 PolarHBondContact OG1-NH1 3Å
164K87.3Confident85Confident70 Ų7051.8 Ų51.830%0.30425%0.251SS..EExtended strand (participates in β ladder)trans-93.6128.3176.7-64.7-177.6-171.1169.30110F158 Y166F158-K164 WeakPolarHBondContact O-CA 3.43Å; K164-Y166 HydrophobicContact CB-CD2 4.46Å; K164-Y166 HydrophobicContact CB-CE2 3.73Å; K164-Y166 HydrophobicContact CD-CE2 4.37Å; K164-Y166 WeakPolarHBondContact CD-OH 3.44Å
165Y87.3Confident85.2Confident2 Ų248.7 Ų48.71%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-109.6121.1177.1-72.7-97000108.9L9 N10 Y157 F158 F160 T163 V176L9-Y165 HydrophobicContact CD1-CD1 4.46Å; L9-Y165 HydrophobicContact CD1-CE1 4.32Å; L9-Y165 HydrophobicContact CD2-CD1 4.46Å; N10-Y165 PolarHBondContact ND2-OH 3.15Å; Y157-Y165 CarbonylContact C-O 3.53Å; Y157-Y165 WeakPolarHBondContact CA-O 3.37Å; Y157-Y165 VanDerWaalsContact CB-O 3.26Å; Y157-Y165 WeakPolarHBondContact CB-O 3.36Å; F158-Y165 HydrophobicContact CD2-CD2 4.26Å; F158-Y165 HydrophobicContact CE1-CG 4.29Å; F158-Y165 AromaticContact CE2-CD2 3.63Å; F158-Y165 HydrophobicContact CE2-CD2 3.63Å; F158-Y165 HydrophobicContact CE2-CE2 4.34Å; F158-Y165 AromaticContact CE2-CG 3.82Å; F158-Y165 HydrophobicContact CE2-CG 3.82Å; F158-Y165 HydrophobicContact CZ-CD1 4.21Å; F158-Y165 AromaticContact CZ-CD2 3.98Å; F158-Y165 HydrophobicContact CZ-CD2 3.98Å; F158-Y165 AromaticContact CZ-CG 3.66Å; F158-Y165 HydrophobicContact CZ-CG 3.66Å; F158-Y165 PolarHBondContact N-O 3.42Å; F158-Y165 PolarHBondContact O-N 2.96Å; F160-Y165 HydrophobicContact CB-CD2 4.35Å; F160-Y165 HydrophobicContact CB-CE2 4.09Å; T163-Y165 HydrophobicContact CG2-CE2 4.12Å; Y165-V176 HydrophobicContact CD1-CG2 3.54Å; Y165-V176 HydrophobicContact CD2-CG2 4.44Å; Y165-V176 HydrophobicContact CE1-CG2 3.29Å; Y165-V176 HydrophobicContact CE2-CG2 4.22Å; Y165-V176 HydrophobicContact CG-CG2 4.12Å
166Y87.9Confident85.2Confident16 Ų1649.2 Ų49.26%0.06324%0.239CC..EExtended strand (participates in β ladder)trans-105.2143-177.9-66.5-84.1000110.8M89 I155 Y157 K164 N168 F174 K175 L177 F209M89-Y166 HydrophobicContact CE-CE1 4.4Å; I155-Y166 HydrophobicContact CG2-CD1 3.86Å; Y157-Y166 HydrophobicContact CG-CD1 4.4Å; Y157-Y166 HydrophobicContact CG-CE1 4.1Å; K164-Y166 HydrophobicContact CB-CD2 4.46Å; K164-Y166 HydrophobicContact CB-CE2 3.73Å; K164-Y166 HydrophobicContact CD-CE2 4.37Å; K164-Y166 WeakPolarHBondContact CD-OH 3.44Å; Y166-N168 PolarHBondContact O-N 3.11Å; Y166-F174 CarbonylContact O-C 3.57Å; Y166-F174 VanDerWaalsContact O-CA 3.25Å; Y166-F174 WeakPolarHBondContact O-CA 3.38Å; Y166-K175 PolarHBondContact N-O 3.45Å; Y166-K175 PolarHBondContact O-N 3.41Å; Y166-L177 HydrophobicContact CD2-CB 4.38Å; Y166-L177 HydrophobicContact CD2-CD1 3.48Å; Y166-L177 VanDerWaalsContact CD2-CD1 3.48Å; Y166-L177 HydrophobicContact CD2-CG 3.66Å; Y166-L177 HydrophobicContact CE2-CB 4.47Å; Y166-L177 HydrophobicContact CE2-CD1 3.61Å; Y166-L177 HydrophobicContact CE2-CG 4.09Å; Y166-L177 HydrophobicContact CG-CD1 4.08Å; Y166-L177 HydrophobicContact CG-CG 4.44Å; Y166-F209 PolarHBondContact OH-O 2.8Å
167W87Confident84.9Confident27 Ų2748.3 Ų48.310%0.10224%0.239CC..EExtended strand (participates in β ladder)trans-70.5124.4174.9-179-97.6000110.7A64 R65 R156 D169 Q172 F174A64-W167 HydrophobicContact CB-CH2 4.28Å; A64-W167 HydrophobicContact CB-CZ3 3.87Å; R65-W167 VanDerWaalsContact CA-CH2 3.46Å; R65-W167 HydrophobicContact CB-CH2 3.57Å; R65-W167 HydrophobicContact CB-CZ2 3.41Å; R65-W167 VanDerWaalsContact CB-CZ2 3.41Å; R65-W167 HydrophobicContact CB-CZ3 4.32Å; R65-W167 HydrophobicContact CG-CH2 4.18Å; R65-W167 HydrophobicContact CG-CZ2 3.5Å; R156-W167 HydrophobicContact CB-CB 4.08Å; R156-W167 PolarHBondContact O-N 2.95Å; W167-D169 PolarHBondContact NE1-OD1 3.35Å; W167-Q172 VanDerWaalsContact CH2-C 3.45Å; W167-Q172 WeakPolarHBondContact CH2-O 3.43Å; W167-Q172 HydrophobicContact CZ2-CB 4.44Å; W167-F174 HydrophobicContact CB-CD1 4.24Å; W167-F174 HydrophobicContact CB-CE1 4.03Å; W167-F174 HydrophobicContact CE3-CD1 4.33Å; W167-F174 AromaticContact CE3-CD2 3.79Å; W167-F174 HydrophobicContact CE3-CD2 3.79Å; W167-F174 HydrophobicContact CE3-CE1 4.14Å; W167-F174 AromaticContact CE3-CE2 3.59Å; W167-F174 HydrophobicContact CE3-CE2 3.59Å; W167-F174 HydrophobicContact CE3-CG 4.16Å; W167-F174 AromaticContact CE3-CZ 3.77Å; W167-F174 HydrophobicContact CE3-CZ 3.77Å; W167-F174 HydrophobicContact CZ3-CD2 4.04Å; W167-F174 AromaticContact CZ3-CE2 3.87Å; W167-F174 HydrophobicContact CZ3-CE2 3.87Å; W167-F174 HydrophobicContact CZ3-CZ 4.45Å
168N84.4Confident84.1Confident44 Ų4448.2 Ų48.224%0.23524%0.243CC..EExtended strand (participates in β ladder)trans-106.1121.3171-174.9-19.2000109.6Y166 E170 M171 Q172 N173Y166-N168 PolarHBondContact O-N 3.11Å; N168-E170 WeakPolarHBondContact OD1-CB 3.47Å; N168-E170 PolarHBondContact OD1-N 3.05Å; N168-M171 HydrophobicContact CB-CB 4.45Å; N168-Q172 WeakPolarHBondContact O-CA 3.5Å; N168-Q172 PolarHBondContact O-N 3.24Å; N168-N173 PolarHBondContact N-O 3.11Å; N168-N173 PolarHBondContact O-N 2.98Å
169D81Confident83.6Confident87 Ų8748.2 Ų48.247%0.46524%0.242SC..THydrogen-bonded Turntrans-71.8-25.4179.7-76.9-57.5000113.4R65 W167 Q172R65-D169 IonicContact CZ-OD1 2.66Å; R65-D169 IonicContact NE-OD1 3.11Å; R65-D169 PolarHBondContact NE-OD1 3Å; R65-D169 IonicContact NH2-OD1 3.32Å; R65-D169 PolarHBondContact NH2-OD1 2.89Å; W167-D169 PolarHBondContact NE1-OD1 3.35Å; D169-Q172 PolarHBondContact O-NE2 3.06Å
170E80.6Confident83.1Confident180 Ų18045.1 Ų45.184%0.84122%0.224SC*.THydrogen-bonded Turntrans-73-49.4177.9-63176.4174.400111.2N168 Q172N168-E170 WeakPolarHBondContact OD1-CB 3.47Å; N168-E170 PolarHBondContact OD1-N 3.05Å; E170-Q172 PolarHBondContact O-N 3.2Å
171M76.6Confident82.3Confident122 Ų12245.8 Ų45.860%0.60123%0.227SC*.THydrogen-bonded Turntrans-79.2-9.8178.5-64.2-172.271.900113.1N168 N173 K175N168-M171 HydrophobicContact CB-CB 4.45Å; M171-N173 HydrophobicContact CB-CB 4.42Å; M171-N173 PolarHBondContact O-N 3.32Å; M171-N173 VanDerWaalsContact O-N 3.08Å; M171-K175 HydrophobicContact SD-CD 4.32Å
172Q83.4Confident81.3Confident73 Ų7346 Ų4634%0.34123%0.229SC..THydrogen-bonded Turntrans4833.1-168-69.6-69-56.300112.1K7 W167 N168 D169 E170K7-Q172 WeakPolarHBondContact CD-O 3.44Å; K7-Q172 WeakPolarHBondContact CE-O 3.42Å; K7-Q172 PolarHBondContact NZ-O 3.31Å; W167-Q172 VanDerWaalsContact CH2-C 3.45Å; W167-Q172 WeakPolarHBondContact CH2-O 3.43Å; W167-Q172 HydrophobicContact CZ2-CB 4.44Å; N168-Q172 WeakPolarHBondContact O-CA 3.5Å; N168-Q172 PolarHBondContact O-N 3.24Å; D169-Q172 PolarHBondContact O-NE2 3.06Å; E170-Q172 PolarHBondContact O-N 3.2Å
173N86.1Confident80.5Confident26 Ų2647.4 Ų47.414%0.13923%0.233CC..EExtended strand (participates in β ladder)trans-143164.1-176.1-158.18.5000110.4I8 N168 M171I8-N173 PolarHBondContact O-ND2 3.12Å; N168-N173 PolarHBondContact N-O 3.11Å; N168-N173 PolarHBondContact O-N 2.98Å; M171-N173 HydrophobicContact CB-CB 4.42Å; M171-N173 PolarHBondContact O-N 3.32Å; M171-N173 VanDerWaalsContact O-N 3.08Å
174F87Confident79.5Confident8 Ų854.9 Ų54.94%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-80.8129.2173.3-70.4-89.7000110.4L9 L19 V70 V86 F158 Y166 W167L9-F174 HydrophobicContact CD2-CB 3.98Å; L9-F174 VanDerWaalsContact CD2-O 3.29Å; L9-F174 WeakPolarHBondContact CD2-O 3.43Å; L19-F174 HydrophobicContact CD1-CD2 3.89Å; L19-F174 HydrophobicContact CD1-CE2 4.44Å; V70-F174 HydrophobicContact CG2-CE2 4.42Å; V86-F174 HydrophobicContact CG1-CZ 4.47Å; V86-F174 HydrophobicContact CG2-CZ 4.41Å; F158-F174 AromaticContact CD1-CD1 3.79Å; F158-F174 HydrophobicContact CD1-CD1 3.79Å; F158-F174 HydrophobicContact CD1-CD2 4.49Å; F158-F174 AromaticContact CD1-CE1 3.8Å; F158-F174 HydrophobicContact CD1-CE1 3.8Å; F158-F174 HydrophobicContact CD1-CE2 4.49Å; F158-F174 HydrophobicContact CD1-CG 4.16Å; F158-F174 HydrophobicContact CD1-CZ 4.17Å; F158-F174 HydrophobicContact CE1-CB 3.91Å; F158-F174 AromaticContact CE1-CD1 3.62Å; F158-F174 HydrophobicContact CE1-CD1 3.62Å; F158-F174 AromaticContact CE1-CD2 3.82Å; F158-F174 HydrophobicContact CE1-CD2 3.82Å; F158-F174 HydrophobicContact CE1-CE1 4.02Å; F158-F174 HydrophobicContact CE1-CE2 4.19Å; F158-F174 AromaticContact CE1-CG 3.52Å; F158-F174 HydrophobicContact CE1-CG 3.52Å; F158-F174 HydrophobicContact CE1-CZ 4.29Å; Y166-F174 CarbonylContact O-C 3.57Å; Y166-F174 VanDerWaalsContact O-CA 3.25Å; Y166-F174 WeakPolarHBondContact O-CA 3.38Å; W167-F174 HydrophobicContact CB-CD1 4.24Å; W167-F174 HydrophobicContact CB-CE1 4.03Å; W167-F174 HydrophobicContact CE3-CD1 4.33Å; W167-F174 AromaticContact CE3-CD2 3.79Å; W167-F174 HydrophobicContact CE3-CD2 3.79Å; W167-F174 HydrophobicContact CE3-CE1 4.14Å; W167-F174 AromaticContact CE3-CE2 3.59Å; W167-F174 HydrophobicContact CE3-CE2 3.59Å; W167-F174 HydrophobicContact CE3-CG 4.16Å; W167-F174 AromaticContact CE3-CZ 3.77Å; W167-F174 HydrophobicContact CE3-CZ 3.77Å; W167-F174 HydrophobicContact CZ3-CD2 4.04Å; W167-F174 AromaticContact CZ3-CE2 3.87Å; W167-F174 HydrophobicContact CZ3-CE2 3.87Å; W167-F174 HydrophobicContact CZ3-CZ 4.45Å
175K84.9Confident78.7Confident85 Ų8552.3 Ų52.337%0.3726%0.258SS..EExtended strand (participates in β ladder)trans-119.8148.3178.2-169-175.2171-177.10110.2Y166 M171Y166-K175 PolarHBondContact N-O 3.45Å; Y166-K175 PolarHBondContact O-N 3.41Å; M171-K175 HydrophobicContact SD-CD 4.32Å
176V84.4Confident78Confident25 Ų2553.4 Ų53.415%0.15227%0.265CS..EExtended strand (participates in β ladder)trans-83.6139.1169.9-179.30000109.1T163 Y165 T178T163-V176 HydrophobicContact CG2-CB 4.33Å; T163-V176 HydrophobicContact CG2-CG1 3.53Å; T163-V176 HydrophobicContact CG2-CG2 3.78Å; Y165-V176 HydrophobicContact CD1-CG2 3.54Å; Y165-V176 HydrophobicContact CD2-CG2 4.44Å; Y165-V176 HydrophobicContact CE1-CG2 3.29Å; Y165-V176 HydrophobicContact CE2-CG2 4.22Å; Y165-V176 HydrophobicContact CG-CG2 4.12Å; V176-T178 HydrophobicContact CG1-CG2 4.41Å
177L81.4Confident77.3Confident37 Ų3753.2 Ų53.219%0.19427%0.266CS..  trans-91.8113.7168.3-62.3174.6000108.1P96 Y166 D182 F209 F210P96-L177 HydrophobicContact CG-CD1 4.32Å; Y166-L177 HydrophobicContact CD2-CB 4.38Å; Y166-L177 HydrophobicContact CD2-CD1 3.48Å; Y166-L177 VanDerWaalsContact CD2-CD1 3.48Å; Y166-L177 HydrophobicContact CD2-CG 3.66Å; Y166-L177 HydrophobicContact CE2-CB 4.47Å; Y166-L177 HydrophobicContact CE2-CD1 3.61Å; Y166-L177 HydrophobicContact CE2-CG 4.09Å; Y166-L177 HydrophobicContact CG-CD1 4.08Å; Y166-L177 HydrophobicContact CG-CG 4.44Å; L177-D182 WeakPolarHBondContact CA-OD2 3.45Å; L177-F209 HydrophobicContact CD1-CB 4.3Å; L177-F209 HydrophobicContact CD1-CD1 4.27Å; L177-F210 HydrophobicContact CB-CE1 3.87Å; L177-F210 HydrophobicContact CB-CZ 4.41Å
178T72.3Confident76.5Confident40 Ų4053.3 Ų53.325%0.24527%0.271CS..  trans-90.9-36.4-174.762.40000112.2V176 D182V176-T178 HydrophobicContact CG1-CG2 4.41Å; T178-D182 PolarHBondContact N-OD2 3.22Å; T178-D182 PolarHBondContact OG1-OD1 3.34Å; T178-D182 PolarHBondContact OG1-OD2 3.21Å
179G81.1Confident75.9Confident0 Ų053 Ų530%027%0.271CS..SBendtrans149.5-147.2-177.500000112.9F97 E181 D182 V400F97-G179 VanDerWaalsContact CZ-O 3.3Å; F97-G179 WeakPolarHBondContact CZ-O 3.39Å; G179-E181 PolarHBondContact O-N 2.67Å; G179-D182 PolarHBondContact N-OD2 3.19Å; G179-D182 PolarHBondContact O-N 3.16Å; G179-V400 WeakPolarHBondContact CA-O 2.9Å
180L75.6Confident75.8Confident4 Ų449 Ų492%0.02125%0.249CC..G310 helixtrans-64.6-22.6179.8-122.290.2000113.7F97 D182 L183 P310 G311 V398 V400F97-L180 HydrophobicContact CE1-CD1 4.28Å; L180-D182 VanDerWaalsContact C-N 3.26Å; L180-D182 PolarHBondContact O-N 2.85Å; L180-L183 PolarHBondContact O-N 3.23Å; L180-P310 HydrophobicContact CD1-CB 3.92Å; L180-G311 VanDerWaalsContact CD1-N 3.26Å; L180-V398 HydrophobicContact CD2-CG1 4.45Å; L180-V400 HydrophobicContact CB-CG1 4.24Å; L180-V400 PolarHBondContact N-O 3.46Å; L180-V400 VanDerWaalsContact N-O 3.15Å
181E70Confident75.6Confident29 Ų2941.5 Ų41.514%0.13622%0.215CC..G310 helixtrans-69.1-22.9179.2-67.9173.8147.500113.4G179 L183 E184 Y368 T370 V400 R401G179-E181 PolarHBondContact O-N 2.67Å; E181-L183 PolarHBondContact O-N 2.99Å; E181-L183 VanDerWaalsContact O-N 3.07Å; E181-E184 PolarHBondContact O-N 3.49Å; E181-Y368 HydrophobicContact CG-CD1 4.08Å; E181-Y368 HydrophobicContact CG-CE1 4.04Å; E181-T370 WeakPolarHBondContact OE1-CB 3.13Å; E181-T370 PolarHBondContact OE1-N 3.31Å; E181-T370 PolarHBondContact OE1-OG1 2.92Å; E181-V400 HydrophobicContact CG-CG1 3.88Å; E181-R401 IonicContact OE1-CZ 2.72Å; E181-R401 IonicContact OE1-NE 2.93Å; E181-R401 IonicContact OE1-NH2 2.8Å; E181-R401 PolarHBondContact OE1-NH2 2.91Å; E181-R401 IonicContact OE2-CZ 3.73Å; E181-R401 IonicContact OE2-NE 3.98Å; E181-R401 PolarHBondContact OE2-NE 2.76Å; E181-R401 IonicContact OE2-NH2 3.86Å; E181-R401 PolarHBondContact OE2-NH2 3.18Å
182D62.7Low75.3Confident41 Ų4139.8 Ų39.822%0.21921%0.214CC..G310 helixtrans-62.8-16.6177.7-69.6-39000112.9L177 T178 G179 L180L177-D182 WeakPolarHBondContact CA-OD2 3.45Å; T178-D182 PolarHBondContact N-OD2 3.22Å; T178-D182 PolarHBondContact OG1-OD1 3.34Å; T178-D182 PolarHBondContact OG1-OD2 3.21Å; G179-D182 PolarHBondContact N-OD2 3.19Å; G179-D182 PolarHBondContact O-N 3.16Å; L180-D182 VanDerWaalsContact C-N 3.26Å; L180-D182 PolarHBondContact O-N 2.85Å
183L65.1Low74.7Confident72 Ų7243 Ų4338%0.37723%0.229SC..G310 helixtrans-89.2-5.4178.2-72.6166.9000113.3F97 L180 E181 V185F97-L183 HydrophobicContact CB-CD1 4.03Å; F97-L183 HydrophobicContact CB-CD2 3.85Å; F97-L183 HydrophobicContact CB-CG 4.35Å; F97-L183 HydrophobicContact CD1-CD1 3.54Å; F97-L183 HydrophobicContact CD1-CG 4.32Å; F97-L183 HydrophobicContact CD2-CD1 3.91Å; F97-L183 HydrophobicContact CD2-CD2 3.82Å; F97-L183 HydrophobicContact CD2-CG 3.74Å; F97-L183 HydrophobicContact CE1-CD1 3.88Å; F97-L183 HydrophobicContact CE2-CD1 4.21Å; F97-L183 HydrophobicContact CE2-CG 4.04Å; F97-L183 HydrophobicContact CG-CD1 3.56Å; F97-L183 HydrophobicContact CG-CD2 3.9Å; F97-L183 HydrophobicContact CG-CG 3.89Å; F97-L183 HydrophobicContact CZ-CD1 4.2Å; F97-L183 HydrophobicContact CZ-CG 4.45Å; L180-L183 PolarHBondContact O-N 3.23Å; E181-L183 PolarHBondContact O-N 2.99Å; E181-L183 VanDerWaalsContact O-N 3.07Å; L183-V185 HydrophobicContact CB-CG2 3.28Å; L183-V185 HydrophobicContact CD1-CG2 3.95Å; L183-V185 HydrophobicContact CG-CG2 4.29Å; L183-V185 PolarHBondContact O-N 2.89Å; L183-V185 VanDerWaalsContact O-N 3.15Å
184E64.4Low74.1Confident164 Ų16442.6 Ų42.677%0.76623%0.226SC*.THydrogen-bonded Turntrans49.637.5-175.2-62.9-178.2174.600112.8E181E181-E184 PolarHBondContact O-N 3.49Å
185V69.4Low73.5Confident17 Ų1744.1 Ų44.110%0.10324%0.238CC..  trans-64.7135.2-172.4-167.20000111L183 T189 I190 Y368L183-V185 HydrophobicContact CB-CG2 3.28Å; L183-V185 HydrophobicContact CD1-CG2 3.95Å; L183-V185 HydrophobicContact CG-CG2 4.29Å; L183-V185 PolarHBondContact O-N 2.89Å; L183-V185 VanDerWaalsContact O-N 3.15Å; V185-T189 VanDerWaalsContact CG1-CB 3.43Å; V185-T189 HydrophobicContact CG1-CG2 3.5Å; V185-T189 VanDerWaalsContact CG1-CG2 3.5Å; V185-I190 HydrophobicContact CB-CG1 4.34Å; V185-I190 HydrophobicContact CG1-CG1 3.91Å; V185-Y368 PolarHBondContact O-N 3.46Å
186S73.3Confident73.2Confident24 Ų2442.2 Ų42.217%0.16824%0.238CC..BIsolated β-bridgetrans-69.6153.7172.9720000111.8S188 T189 I190 D365S186-S188 PolarHBondContact O-N 3.05Å; S186-S188 PolarHBondContact OG-OG 3.44Å; S186-T189 PolarHBondContact O-N 2.62Å; S186-T189 PolarHBondContact OG-N 2.94Å; S186-T189 PolarHBondContact OG-OG1 3.02Å; S186-I190 PolarHBondContact O-N 3.13Å; S186-D365 WeakPolarHBondContact CB-OD2 3.41Å; S186-D365 PolarHBondContact OG-OD2 3.03Å
187C73.4Confident73Confident12 Ų1241.6 Ų41.68%0.08124%0.237CC..Hα-helixtrans-59.5-34.5179.4-67.80000112.4H191 L353 C366C187-H191 PolarHBondContact O-CD2 2.84Å; C187-H191 PolarHBondContact O-N 2.99Å; C187-L353 HydrophobicContact CB-CD2 3.92Å; C187-L353 HydrophobicContact CB-CG 4.29Å; C187-C366 PolarHBondContact N-O 3.44Å; C187-C366 PolarHBondContact SG-O 2.67Å; C187-C366 VanDerWaalsContact SG-O 3.36Å
188S69.4Low73.3Confident30 Ų3040.3 Ų40.321%0.2123%0.23CC..Hα-helixtrans-64.4-38.3174.1660000112.9S186 H191 S192 D365S186-S188 PolarHBondContact O-N 3.05Å; S186-S188 PolarHBondContact OG-OG 3.44Å; S188-H191 WeakPolarHBondContact O-CB 3.25Å; S188-H191 PolarHBondContact O-N 3.33Å; S188-S192 PolarHBondContact O-N 2.8Å; S188-S192 PolarHBondContact O-OG 2.79Å; S188-D365 WeakPolarHBondContact CB-OD2 3.47Å; S188-D365 PolarHBondContact N-OD1 2.83Å; S188-D365 PolarHBondContact OG-OD1 2.86Å; S188-D365 PolarHBondContact OG-OD2 3.08Å
189T72.8Confident73.9Confident36 Ų3640.9 Ų40.922%0.22123%0.234CC..Hα-helixtrans-70.8-32.9-179-55.40000112V185 S186 H191 S192 E193V185-T189 VanDerWaalsContact CG1-CB 3.43Å; V185-T189 HydrophobicContact CG1-CG2 3.5Å; V185-T189 VanDerWaalsContact CG1-CG2 3.5Å; S186-T189 PolarHBondContact O-N 2.62Å; S186-T189 PolarHBondContact OG-N 2.94Å; S186-T189 PolarHBondContact OG-OG1 3.02Å; T189-H191 VanDerWaalsContact C-N 3.29Å; T189-H191 PolarHBondContact O-N 2.99Å; T189-S192 WeakPolarHBondContact CA-OG 3.1Å; T189-S192 PolarHBondContact O-N 3.3Å; T189-S192 PolarHBondContact O-OG 2.8Å; T189-E193 HydrophobicContact CG2-CB 4.27Å; T189-E193 HydrophobicContact CG2-CG 3.88Å; T189-E193 WeakPolarHBondContact O-CB 3.48Å; T189-E193 PolarHBondContact O-N 2.77Å
190I77.6Confident74Confident3 Ų348 Ų482%0.01526%0.261CS..Hα-helixtrans-61.3-40.2171.7-64.7177.4000110.9V185 S186 H194 S195 V328 I330 L353 Y368 V398V185-I190 HydrophobicContact CB-CG1 4.34Å; V185-I190 HydrophobicContact CG1-CG1 3.91Å; S186-I190 PolarHBondContact O-N 3.13Å; I190-H194 WeakPolarHBondContact O-CB 3.41Å; I190-H194 PolarHBondContact O-N 2.82Å; I190-S195 PolarHBondContact O-N 3.06Å; I190-V328 HydrophobicContact CG2-CG1 4.12Å; I190-I330 HydrophobicContact CG2-CG2 4.33Å; I190-L353 HydrophobicContact CB-CD2 4.41Å; I190-L353 HydrophobicContact CD1-CD2 4.43Å; I190-L353 HydrophobicContact CG2-CD2 4.42Å; I190-Y368 HydrophobicContact CD1-CD1 4.24Å; I190-Y368 HydrophobicContact CD1-CD2 4.1Å; I190-Y368 HydrophobicContact CD1-CG 3.67Å; I190-V398 HydrophobicContact CG2-CG2 4.4Å
191H76.6Confident74.3Confident24 Ų2452.7 Ų52.711%0.11129%0.286CS..Hα-helixtrans-71.2-40.1176.7-84.5-70.7000113.1C187 S188 T189 S195 L353C187-H191 PolarHBondContact O-CD2 2.84Å; C187-H191 PolarHBondContact O-N 2.99Å; S188-H191 WeakPolarHBondContact O-CB 3.25Å; S188-H191 PolarHBondContact O-N 3.33Å; T189-H191 VanDerWaalsContact C-N 3.29Å; T189-H191 PolarHBondContact O-N 2.99Å; H191-S195 WeakPolarHBondContact O-CB 3.45Å; H191-S195 PolarHBondContact O-OG 2.87Å; H191-L353 PolarHBondContact CE1-O 3.04Å; H191-L353 PolarHBondContact NE2-O 2.71Å
192S70.2Confident74.9Confident85 Ų8555.1 Ų55.159%0.59430%0.297SS*.Hα-helixtrans-82.1-41.2-175.362.70000113.6S188 T189S188-S192 PolarHBondContact O-N 2.8Å; S188-S192 PolarHBondContact O-OG 2.79Å; T189-S192 WeakPolarHBondContact CA-OG 3.1Å; T189-S192 PolarHBondContact O-N 3.3Å; T189-S192 PolarHBondContact O-OG 2.8Å
193E70.2Confident76Confident140 Ų14053.8 Ų53.865%0.65429%0.29SS*.Hα-helixtrans-101.1-24.9-171.4-62.3-167.9167.700114.1T189T189-E193 HydrophobicContact CG2-CB 4.27Å; T189-E193 HydrophobicContact CG2-CG 3.88Å; T189-E193 WeakPolarHBondContact O-CB 3.48Å; T189-E193 PolarHBondContact O-N 2.77Å
194H74.8Confident76.9Confident18 Ų1851.6 Ų51.68%0.08328%0.277CS..SBendtrans-111.5-6.4-173.7-65.2-52.4000114.8I190 A196 G197 V313 V398I190-H194 WeakPolarHBondContact O-CB 3.41Å; I190-H194 PolarHBondContact O-N 2.82Å; H194-A196 PolarHBondContact O-N 2.81Å; H194-G197 PolarHBondContact O-N 2.87Å; H194-V313 WeakPolarHBondContact O-CG2 3.38Å; H194-V398 HydrophobicContact CB-CG1 4.22Å; H194-V398 HydrophobicContact CB-CG2 4.44Å
195S74.9Confident77.8Confident40 Ų4044.2 Ų44.228%0.2824%0.243SC..THydrogen-bonded Turntrans-70.4-26.4-179.459.60000114.8I190 H191 G197I190-S195 PolarHBondContact O-N 3.06Å; H191-S195 WeakPolarHBondContact O-CB 3.45Å; H191-S195 PolarHBondContact O-OG 2.87Å; S195-G197 VanDerWaalsContact C-N 3.31Å
196A76.8Confident78.6Confident45 Ų4544.3 Ų44.337%0.37224%0.241SC..THydrogen-bonded Turntrans-76.3-16.6179.700000113.3H194 R295 A296H194-A196 PolarHBondContact O-N 2.81Å; A196-R295 CarbonylContact O-C 3.57Å; A196-A296 VanDerWaalsContact O-CA 3.23Å; A196-A296 WeakPolarHBondContact O-CA 3.17Å; A196-A296 PolarHBondContact O-N 3.38Å
197G82.2Confident79.2Confident13 Ų1346.9 Ų46.913%0.13425%0.247CC..  trans81.7164.8-175.700000114.1H194 S195H194-G197 PolarHBondContact O-N 2.87Å; S195-G197 VanDerWaalsContact C-N 3.31Å
198L85.9Confident79.7Confident9 Ų947.9 Ų47.95%0.04725%0.251CS..  trans-83.2148.9-176.3-65.3174000112.3Q202 Q203 R295 V309 G311L198-Q202 HydrophobicContact CD2-CB 4.34Å; L198-Q203 HydrophobicContact CB-CB 4.45Å; L198-R295 WeakPolarHBondContact O-CD 3.49Å; L198-V309 HydrophobicContact CD1-CG2 3.9Å; L198-G311 WeakPolarHBondContact CG-O 3.49Å
199T86Confident80.4Confident52 Ų5246.6 Ų46.632%0.31924%0.242SC..  trans-74.3155.4163.961.90000110.7N201 Q202 Q203 A296T199-N201 VanDerWaalsContact C-N 3.26Å; T199-N201 PolarHBondContact O-N 2.78Å; T199-Q202 VanDerWaalsContact N-OE1 3.1Å; T199-Q202 PolarHBondContact O-N 2.74Å; T199-Q202 VanDerWaalsContact O-N 3.12Å; T199-Q202 WeakPolarHBondContact OG1-CB 3.39Å; T199-Q202 VanDerWaalsContact OG1-CG 3.23Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.35Å; T199-Q202 PolarHBondContact OG1-N 3.45Å; T199-Q202 PolarHBondContact OG1-OE1 2.73Å; T199-Q203 PolarHBondContact O-N 2.76Å; T199-A296 HydrophobicContact CG2-CB 3.75Å
200R82.1Confident80.9Confident151 Ų15146.3 Ų46.357%0.5724%0.238SC*.Hα-helixtrans-57.1-38.4179.6-169.1171.8-178.4149.64.7113Q203 E204R200-Q203 PolarHBondContact O-N 2.8Å; R200-E204 IonicContact NE-OE1 3.9Å; R200-E204 WeakPolarHBondContact O-CB 3.48Å; R200-E204 WeakPolarHBondContact O-CG 3.45Å; R200-E204 PolarHBondContact O-N 3.4Å
201N82.8Confident81.3Confident101 Ų10146.9 Ų46.954%0.5425%0.245SC..Hα-helixtrans-66.4-41.2177.6-66.8-17000112.1T199 Y205T199-N201 VanDerWaalsContact C-N 3.26Å; T199-N201 PolarHBondContact O-N 2.78Å; N201-Y205 WeakPolarHBondContact O-CB 3.37Å; N201-Y205 PolarHBondContact O-N 2.84Å
202Q83Confident81.9Confident81 Ų8149 Ų4938%0.37926%0.259SS..Hα-helixtrans-67.7-40.5176.4-72.4165.1-27.700111.5L198 T199 Y205 R206L198-Q202 HydrophobicContact CD2-CB 4.34Å; T199-Q202 VanDerWaalsContact N-OE1 3.1Å; T199-Q202 PolarHBondContact O-N 2.74Å; T199-Q202 VanDerWaalsContact O-N 3.12Å; T199-Q202 WeakPolarHBondContact OG1-CB 3.39Å; T199-Q202 VanDerWaalsContact OG1-CG 3.23Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.35Å; T199-Q202 PolarHBondContact OG1-N 3.45Å; T199-Q202 PolarHBondContact OG1-OE1 2.73Å; Q202-Y205 PolarHBondContact O-N 3.22Å; Q202-R206 WeakPolarHBondContact O-CG 3.26Å; Q202-R206 PolarHBondContact O-N 2.79Å
203Q85.9Confident82.7Confident12 Ų1245.3 Ų45.36%0.05623%0.232CC..Hα-helixtrans-63.1-48.3176.7-180-110.8-5.800111.3L198 T199 R200 Y205 R206 R207 D307 V309L198-Q203 HydrophobicContact CB-CB 4.45Å; T199-Q203 PolarHBondContact O-N 2.76Å; R200-Q203 PolarHBondContact O-N 2.8Å; Q203-Y205 VanDerWaalsContact C-N 3.32Å; Q203-Y205 PolarHBondContact O-N 3.32Å; Q203-R206 PolarHBondContact O-N 2.94Å; Q203-R207 WeakPolarHBondContact O-CB 3.44Å; Q203-R207 PolarHBondContact O-N 3.29Å; Q203-D307 PolarHBondContact NE2-O 2.85Å; Q203-V309 HydrophobicContact CB-CG2 4.27Å; Q203-V309 HydrophobicContact CG-CG2 3.69Å
204E82.6Confident83.4Confident26 Ų2642.3 Ų42.312%0.12122%0.218CC..Hα-helixtrans-60.7-38.7175.4-74.5179.3-170.600112.3L143 R200 R207 L208L143-E204 HydrophobicContact CD2-CB 4.07Å; R200-E204 IonicContact NE-OE1 3.9Å; R200-E204 WeakPolarHBondContact O-CB 3.48Å; R200-E204 WeakPolarHBondContact O-CG 3.45Å; R200-E204 PolarHBondContact O-N 3.4Å; E204-R207 WeakPolarHBondContact O-CB 3.46Å; E204-R207 PolarHBondContact O-N 3.34Å; E204-L208 PolarHBondContact O-N 3.29Å
205Y83.8Confident83.8Confident9 Ų942.1 Ų42.14%0.03522%0.218CC..Hα-helixtrans-64.6-48.3175.6178.4-110000112.2P92 G93 N95 L100 N201 Q202 Q203 R207 L208 F209P92-Y205 HydrophobicContact CB-CE2 4.12Å; P92-Y205 HydrophobicContact CG-CD2 4.44Å; P92-Y205 HydrophobicContact CG-CE2 4.33Å; G93-Y205 WeakPolarHBondContact CA-OH 3.45Å; G93-Y205 PolarHBondContact O-OH 3.01Å; N95-Y205 WeakPolarHBondContact O-CE1 3.41Å; N95-Y205 PolarHBondContact O-OH 3.16Å; L100-Y205 HydrophobicContact CD1-CD1 4.43Å; L100-Y205 HydrophobicContact CD1-CD2 3.92Å; L100-Y205 HydrophobicContact CD1-CE2 4.35Å; L100-Y205 HydrophobicContact CD1-CG 3.97Å; N201-Y205 WeakPolarHBondContact O-CB 3.37Å; N201-Y205 PolarHBondContact O-N 2.84Å; Q202-Y205 PolarHBondContact O-N 3.22Å; Q203-Y205 VanDerWaalsContact C-N 3.32Å; Q203-Y205 PolarHBondContact O-N 3.32Å; Y205-R207 VanDerWaalsContact C-N 3.26Å; Y205-R207 PolarHBondContact O-N 3.41Å; Y205-L208 HydrophobicContact CD2-CD1 4.42Å; Y205-L208 WeakPolarHBondContact O-CB 3.46Å; Y205-L208 PolarHBondContact O-N 2.81Å; Y205-L208 VanDerWaalsContact O-N 3.16Å; Y205-F209 HydrophobicContact CD2-CE2 4.4Å; Y205-F209 HydrophobicContact CE1-CE2 4.09Å; Y205-F209 AromaticContact CE2-CE2 3.84Å; Y205-F209 HydrophobicContact CE2-CE2 3.84Å; Y205-F209 HydrophobicContact CE2-CZ 4.46Å; Y205-F209 AromaticContact CZ-CE2 3.67Å; Y205-F209 WeakPolarHBondContact O-CD2 3.35Å
206R86.1Confident84Confident19 Ų1941.7 Ų41.77%0.07222%0.217CC..Hα-helixtrans-62-34.1176.7-74-176-176-167.43.6112.2P96 Q202 Q203 L208 F209 F210 V309 P310P96-R206 WeakPolarHBondContact O-CG 3.1Å; Q202-R206 WeakPolarHBondContact O-CG 3.26Å; Q202-R206 PolarHBondContact O-N 2.79Å; Q203-R206 PolarHBondContact O-N 2.94Å; R206-L208 PolarHBondContact O-N 3.23Å; R206-F209 PolarHBondContact O-N 3.28Å; R206-F209 VanDerWaalsContact O-N 3.09Å; R206-F210 HydrophobicContact CB-CD2 4.39Å; R206-F210 WeakPolarHBondContact O-CD2 3.4Å; R206-F210 PolarHBondContact O-N 2.99Å; R206-V309 HydrophobicContact CB-CB 4.2Å; R206-V309 HydrophobicContact CB-CG2 4.03Å; R206-P310 WeakPolarHBondContact CD-O 3.21Å; R206-P310 PolarHBondContact NH1-O 2.92Å
207R85.9Confident84.1Confident79 Ų7939.8 Ų39.830%0.29820%0.2SC..Hα-helixtrans-61.1-28.3177-168.9179173.7165.18.7113.2Q203 E204 Y205 F209 G211 D307 V309Q203-R207 WeakPolarHBondContact O-CB 3.44Å; Q203-R207 PolarHBondContact O-N 3.29Å; E204-R207 WeakPolarHBondContact O-CB 3.46Å; E204-R207 PolarHBondContact O-N 3.34Å; Y205-R207 VanDerWaalsContact C-N 3.26Å; Y205-R207 PolarHBondContact O-N 3.41Å; R207-F209 VanDerWaalsContact C-N 3.27Å; R207-F209 PolarHBondContact O-N 3.37Å; R207-G211 VanDerWaalsContact O-CA 3.23Å; R207-G211 WeakPolarHBondContact O-CA 3.42Å; R207-G211 PolarHBondContact O-N 2.78Å; R207-D307 IonicContact CZ-OD1 3.42Å; R207-D307 IonicContact NH1-OD1 3.42Å; R207-D307 PolarHBondContact NH1-OD1 3.31Å; R207-D307 IonicContact NH2-OD1 3.87Å; R207-D307 PolarHBondContact NH2-OD1 3.13Å; R207-V309 HydrophobicContact CB-CG1 3.86Å; R207-V309 HydrophobicContact CG-CG1 4.35Å
208L83.5Confident84Confident32 Ų3247.9 Ų47.917%0.16823%0.232CC..Hα-helixtrans-61.7-36.6174.8-66.4170.4000112E204 Y205 R206E204-L208 PolarHBondContact O-N 3.29Å; Y205-L208 HydrophobicContact CD2-CD1 4.42Å; Y205-L208 WeakPolarHBondContact O-CB 3.46Å; Y205-L208 PolarHBondContact O-N 2.81Å; Y205-L208 VanDerWaalsContact O-N 3.16Å; R206-L208 PolarHBondContact O-N 3.23Å
209F83.9Confident83.9Confident4 Ų450 Ų502%0.01825%0.245CC..Hα-helixtrans-86.8-56.3-177.9-64.7-97.3000111.8M89 A91 P96 I155 Y166 L177 Y205 R206 R207 G211M89-F209 HydrophobicContact CE-CD1 4.25Å; M89-F209 HydrophobicContact CE-CE1 4.31Å; A91-F209 HydrophobicContact CB-CZ 4.04Å; P96-F209 HydrophobicContact CB-CB 4.02Å; P96-F209 HydrophobicContact CB-CD1 4.28Å; P96-F209 HydrophobicContact CB-CD2 3.77Å; P96-F209 HydrophobicContact CB-CE2 4.28Å; P96-F209 HydrophobicContact CB-CG 3.78Å; P96-F209 HydrophobicContact CG-CB 4.48Å; P96-F209 HydrophobicContact CG-CD1 4.39Å; P96-F209 HydrophobicContact CG-CG 4.31Å; I155-F209 HydrophobicContact CD1-CE1 3.43Å; I155-F209 VanDerWaalsContact CD1-CE1 3.43Å; I155-F209 HydrophobicContact CD1-CZ 3.83Å; Y166-F209 PolarHBondContact OH-O 2.8Å; L177-F209 HydrophobicContact CD1-CB 4.3Å; L177-F209 HydrophobicContact CD1-CD1 4.27Å; Y205-F209 HydrophobicContact CD2-CE2 4.4Å; Y205-F209 HydrophobicContact CE1-CE2 4.09Å; Y205-F209 AromaticContact CE2-CE2 3.84Å; Y205-F209 HydrophobicContact CE2-CE2 3.84Å; Y205-F209 HydrophobicContact CE2-CZ 4.46Å; Y205-F209 AromaticContact CZ-CE2 3.67Å; Y205-F209 WeakPolarHBondContact O-CD2 3.35Å; R206-F209 PolarHBondContact O-N 3.28Å; R206-F209 VanDerWaalsContact O-N 3.09Å; R207-F209 VanDerWaalsContact C-N 3.27Å; R207-F209 PolarHBondContact O-N 3.37Å; F209-G211 VanDerWaalsContact C-N 3.34Å; F209-G211 PolarHBondContact O-N 2.77Å
210F84.3Confident83.8Confident30 Ų3048.7 Ų48.713%0.13224%0.237CC..Hα-helixtrans-75-25.1-175.3-67-73.8000112.6P96 F97 L177 R206 P310P96-F210 HydrophobicContact CB-CE2 3.98Å; P96-F210 HydrophobicContact CG-CE2 4.2Å; P96-F210 HydrophobicContact CG-CZ 4.4Å; F97-F210 HydrophobicContact CE1-CE2 4.37Å; F97-F210 HydrophobicContact CE1-CZ 4.46Å; F97-F210 HydrophobicContact CE2-CZ 4.1Å; F97-F210 AromaticContact CZ-CE2 3.94Å; F97-F210 HydrophobicContact CZ-CE2 3.94Å; F97-F210 AromaticContact CZ-CZ 3.63Å; F97-F210 HydrophobicContact CZ-CZ 3.63Å; L177-F210 HydrophobicContact CB-CE1 3.87Å; L177-F210 HydrophobicContact CB-CZ 4.41Å; R206-F210 HydrophobicContact CB-CD2 4.39Å; R206-F210 WeakPolarHBondContact O-CD2 3.4Å; R206-F210 PolarHBondContact O-N 2.99Å; F210-P310 HydrophobicContact CD1-CG 3.97Å; F210-P310 HydrophobicContact CD2-CG 4Å; F210-P310 HydrophobicContact CE1-CG 4.11Å; F210-P310 HydrophobicContact CE2-CB 4.45Å; F210-P310 HydrophobicContact CE2-CG 4.14Å; F210-P310 HydrophobicContact CG-CG 3.92Å; F210-P310 HydrophobicContact CZ-CG 4.2Å
211G86.1Confident84.1Confident15 Ų1544.8 Ų44.816%0.15523%0.233CC..  trans80-159.5-174.900000112.2R207 F209R207-G211 VanDerWaalsContact O-CA 3.23Å; R207-G211 WeakPolarHBondContact O-CA 3.42Å; R207-G211 PolarHBondContact O-N 2.78Å; F209-G211 VanDerWaalsContact C-N 3.34Å; F209-G211 PolarHBondContact O-N 2.77Å
212V88.4Confident84.4Confident68 Ų6843.2 Ų43.241%0.41223%0.228SC..  trans-84.6146.4176.1-66.90000110.9E214 I306V212-E214 VanDerWaalsContact C-N 3.26Å; V212-E214 HydrophobicContact CG2-CB 4.25Å; V212-E214 PolarHBondContact O-N 2.79Å; V212-I306 WeakPolarHBondContact CA-O 3.36Å; V212-I306 WeakPolarHBondContact CB-O 3.47Å
213N87.9Confident84.7Confident7 Ų746.2 Ų46.24%0.03724%0.24CC..SBendtrans-79.273.7175.4179.640.1000110.6S305 I306 L308 P324 T402 G403N213-S305 WeakPolarHBondContact CB-O 2.83Å; N213-S305 PolarHBondContact ND2-O 3.22Å; N213-I306 PolarHBondContact N-O 3.41Å; N213-L308 HydrophobicContact CB-CB 4.31Å; N213-P324 PolarHBondContact ND2-O 2.72Å; N213-P324 VanDerWaalsContact ND2-O 3.16Å; N213-T402 HydrophobicContact CB-CG2 4.19Å; N213-T402 WeakPolarHBondContact OD1-CA 3.32Å; N213-T402 WeakPolarHBondContact OD1-CB 3.36Å; N213-G403 PolarHBondContact OD1-N 3.43Å
214E85.1Confident84.8Confident77 Ų7752.5 Ų52.536%0.3627%0.267SS..  trans-140.9130.4178.8-168.9-171.1175.100111V212 A216V212-E214 VanDerWaalsContact C-N 3.26Å; V212-E214 HydrophobicContact CG2-CB 4.25Å; V212-E214 PolarHBondContact O-N 2.79Å; E214-A216 VanDerWaalsContact C-N 3.28Å; E214-A216 HydrophobicContact CG-CB 4.14Å; E214-A216 PolarHBondContact O-N 2.93Å; E214-A216 VanDerWaalsContact O-N 3.16Å
215I83.5Confident85Confident14 Ų1452 Ų527%0.07226%0.264CS..  trans-87.772.5170.6-53.3169.1000108V217 V283 F404 K408 V412I215-V217 PolarHBondContact O-N 3.41Å; I215-V283 HydrophobicContact CB-CG1 3.9Å; I215-V283 HydrophobicContact CG2-CG1 3.78Å; I215-V283 VanDerWaalsContact O-CG1 3.24Å; I215-V283 WeakPolarHBondContact O-CG1 3.47Å; I215-F404 HydrophobicContact CG2-CD1 4.14Å; I215-F404 HydrophobicContact CG2-CE1 3.69Å; I215-F404 HydrophobicContact CG2-CE2 4.49Å; I215-F404 HydrophobicContact CG2-CZ 3.89Å; I215-K408 HydrophobicContact CD1-CB 4.37Å; I215-K408 HydrophobicContact CD1-CD 4.1Å; I215-K408 HydrophobicContact CD1-CG 3.97Å; I215-V412 HydrophobicContact CG2-CB 4.11Å; I215-V412 HydrophobicContact CG2-CG1 3.88Å; I215-V412 HydrophobicContact CG2-CG2 4.41Å
216A78.1Confident85.2Confident31 Ų3154.4 Ų54.426%0.25628%0.278SS..  trans-79.6102.3-174.200000112E214 K218E214-A216 VanDerWaalsContact C-N 3.28Å; E214-A216 HydrophobicContact CG-CB 4.14Å; E214-A216 PolarHBondContact O-N 2.93Å; E214-A216 VanDerWaalsContact O-N 3.16Å; A216-K218 PolarHBondContact O-N 2.8Å; A216-K218 VanDerWaalsContact O-N 3.14Å
217V79Confident85.3Confident5 Ų557.1 Ų57.13%0.0329%0.293CS..  trans-77.892.7169.5-177.80000109.4I215 V219 L279 H280 V283 V412 L416I215-V217 PolarHBondContact O-N 3.41Å; V217-V219 PolarHBondContact O-N 3.49Å; V217-L279 HydrophobicContact CG1-CD2 4.44Å; V217-L279 HydrophobicContact CG1-CG 4.5Å; V217-H280 HydrophobicContact CB-CB 4.41Å; V217-H280 HydrophobicContact CG1-CB 4.49Å; V217-H280 PolarHBondContact O-CD2 2.63Å; V217-H280 VanDerWaalsContact O-CD2 3.26Å; V217-V283 HydrophobicContact CG2-CB 4.08Å; V217-V283 HydrophobicContact CG2-CG1 4.17Å; V217-V283 HydrophobicContact CG2-CG2 3.94Å; V217-V412 HydrophobicContact CG2-CG1 4.12Å; V217-L416 HydrophobicContact CG1-CD2 3.77Å; V217-L416 HydrophobicContact CG2-CD1 4.26Å
218K80.6Confident85.1Confident184 Ų18460 Ų6080%0.831%0.307SS*.  trans-67.1106.4-179-65.6-176.2-178.9-178.40111A216 P220A216-K218 PolarHBondContact O-N 2.8Å; A216-K218 VanDerWaalsContact O-N 3.14Å; K218-P220 VanDerWaalsContact O-CD 3.26Å; K218-P220 WeakPolarHBondContact O-CD 3.41Å
219V82.9Confident85.1Confident53 Ų5360.2 Ų60.232%0.32131%0.308SS..  trans-65.5114.8171.4-177.90000108.1V217 V277 H280V217-V219 PolarHBondContact O-N 3.49Å; V219-V277 HydrophobicContact CG1-CG2 4.28Å; V219-H280 HydrophobicContact CG2-CB 3.69Å
220P83.4Confident85.2Confident24 Ų2462.8 Ų62.816%0.15632%0.324CS..  trans-64.5144.3178.926.7-33.1000110.2K218 K224 L225 Y276K218-P220 VanDerWaalsContact O-CD 3.26Å; K218-P220 WeakPolarHBondContact O-CD 3.41Å; P220-K224 HydrophobicContact CB-CD 4.39Å; P220-L225 HydrophobicContact CB-CD2 4.06Å; P220-L225 HydrophobicContact CB-CG 4.03Å; P220-L225 HydrophobicContact CG-CD1 4Å; P220-L225 HydrophobicContact CG-CD2 3.52Å; P220-L225 HydrophobicContact CG-CG 3.73Å; P220-Y276 HydrophobicContact CG-CD2 4.21Å; P220-Y276 HydrophobicContact CG-CE2 4.23Å; P220-Y276 HydrophobicContact CG-CG 4.38Å
221S89.5Confident85.3Confident69 Ų6963.4 Ų63.448%0.48333%0.328SS..  trans-61.3149.717666.50000110.7F223 K224 L225S221-F223 PolarHBondContact O-N 3.35Å; S221-F223 VanDerWaalsContact O-N 3.16Å; S221-K224 PolarHBondContact O-N 2.78Å; S221-K224 WeakPolarHBondContact OG-CB 3.5Å; S221-K224 PolarHBondContact OG-N 3.21Å; S221-L225 PolarHBondContact O-N 3.21Å
222V88.9Confident85Confident69 Ų6965 Ų6542%0.41833%0.333SS..Hα-helixtrans-53.4-38.5176.4177.80000110.4L225 L226 K273V222-L225 PolarHBondContact O-N 3.05Å; V222-L226 VanDerWaalsContact O-CB 3.26Å; V222-L226 WeakPolarHBondContact O-CB 3.46Å; V222-L226 PolarHBondContact O-N 3.19Å; V222-K273 HydrophobicContact CG2-CD 3.77Å
223F89.3Confident84.5Confident144 Ų14464.3 Ų64.363%0.63233%0.33SS*.Hα-helixtrans-63.6-44177.3-175-105.9000113.3S221 L225 L226 I227S221-F223 PolarHBondContact O-N 3.35Å; S221-F223 VanDerWaalsContact O-N 3.16Å; F223-L225 VanDerWaalsContact C-N 3.35Å; F223-L226 WeakPolarHBondContact O-CB 3.35Å; F223-L226 PolarHBondContact O-N 3.43Å; F223-I227 HydrophobicContact CD1-CD1 3.92Å; F223-I227 HydrophobicContact CE1-CD1 3.36Å; F223-I227 HydrophobicContact CE1-CG1 4.32Å; F223-I227 HydrophobicContact CE2-CD1 4.41Å; F223-I227 HydrophobicContact CZ-CD1 3.65Å; F223-I227 HydrophobicContact CZ-CG1 4.31Å; F223-I227 PolarHBondContact O-N 3.35Å
224K87.6Confident84.1Confident143 Ų14365.7 Ų65.762%0.62234%0.336SS*.Hα-helixtrans-65.5-39.9177-176.1176.9179.3179.90111.6P220 S221 K228P220-K224 HydrophobicContact CB-CD 4.39Å; S221-K224 PolarHBondContact O-N 2.78Å; S221-K224 WeakPolarHBondContact OG-CB 3.5Å; S221-K224 PolarHBondContact OG-N 3.21Å; K224-K228 PolarHBondContact O-N 3.26Å
225L86.3Confident84Confident15 Ų1563.6 Ų63.68%0.07933%0.325CS..Hα-helixtrans-64.3-42.7173.9-70.7178.5000111.4P220 S221 V222 F223 K228 E229 L269 I272 K273P220-L225 HydrophobicContact CB-CD2 4.06Å; P220-L225 HydrophobicContact CB-CG 4.03Å; P220-L225 HydrophobicContact CG-CD1 4Å; P220-L225 HydrophobicContact CG-CD2 3.52Å; P220-L225 HydrophobicContact CG-CG 3.73Å; S221-L225 PolarHBondContact O-N 3.21Å; V222-L225 PolarHBondContact O-N 3.05Å; F223-L225 VanDerWaalsContact C-N 3.35Å; L225-K228 PolarHBondContact O-N 2.57Å; L225-E229 WeakPolarHBondContact O-CB 3.38Å; L225-E229 PolarHBondContact O-N 2.73Å; L225-L269 VanDerWaalsContact C-CD2 3.46Å; L225-L269 HydrophobicContact CB-CD2 3.57Å; L225-I272 HydrophobicContact CD1-CG2 4.05Å; L225-I272 HydrophobicContact CD2-CG2 3.95Å; L225-K273 HydrophobicContact CD1-CB 4.34Å
226L88.9Confident84Confident61 Ų6164.9 Ų64.932%0.31933%0.331SS..Hα-helixtrans-58.9-48.8177.1176.268.3000111.5V222 F223 K228 E229 V230 I265 L269V222-L226 VanDerWaalsContact O-CB 3.26Å; V222-L226 WeakPolarHBondContact O-CB 3.46Å; V222-L226 PolarHBondContact O-N 3.19Å; F223-L226 WeakPolarHBondContact O-CB 3.35Å; F223-L226 PolarHBondContact O-N 3.43Å; L226-K228 VanDerWaalsContact C-N 3.3Å; L226-K228 PolarHBondContact O-N 3.32Å; L226-E229 PolarHBondContact O-N 2.92Å; L226-V230 HydrophobicContact CD1-CG2 3.75Å; L226-V230 HydrophobicContact CG-CG2 4.2Å; L226-V230 WeakPolarHBondContact O-CB 3.49Å; L226-V230 VanDerWaalsContact O-CG2 3.28Å; L226-V230 WeakPolarHBondContact O-CG2 3.49Å; L226-V230 PolarHBondContact O-N 3.39Å; L226-I265 HydrophobicContact CD1-CG2 3.62Å; L226-L269 HydrophobicContact CB-CD1 3.92Å; L226-L269 HydrophobicContact CB-CD2 4.48Å; L226-L269 HydrophobicContact CD1-CD1 3.57Å; L226-L269 HydrophobicContact CG-CD1 4.34Å
227I88.1Confident84.2Confident75 Ų7566.1 Ų66.139%0.38533%0.331SS..Hα-helixtrans-58-46176.7-70.8173.3000110.6F223 E229 V230 L231F223-I227 HydrophobicContact CD1-CD1 3.92Å; F223-I227 HydrophobicContact CE1-CD1 3.36Å; F223-I227 HydrophobicContact CE1-CG1 4.32Å; F223-I227 HydrophobicContact CE2-CD1 4.41Å; F223-I227 HydrophobicContact CZ-CD1 3.65Å; F223-I227 HydrophobicContact CZ-CG1 4.31Å; F223-I227 PolarHBondContact O-N 3.35Å; I227-E229 VanDerWaalsContact C-N 3.28Å; I227-E229 PolarHBondContact O-N 3.42Å; I227-V230 PolarHBondContact O-N 3.33Å; I227-L231 HydrophobicContact CG2-CD1 3.61Å; I227-L231 HydrophobicContact CG2-CG 4.19Å; I227-L231 VanDerWaalsContact O-CB 3.31Å; I227-L231 WeakPolarHBondContact O-CB 3.16Å; I227-L231 WeakPolarHBondContact O-CG 3.41Å; I227-L231 PolarHBondContact O-N 2.78Å
228K82.8Confident84.5Confident139 Ų13966.6 Ų66.660%0.60433%0.333SS*.Hα-helixtrans-62.1-38.4-179.8-171.6-178.8177.9-173.80111.9K224 L225 L226K224-K228 PolarHBondContact O-N 3.26Å; L225-K228 PolarHBondContact O-N 2.57Å; L226-K228 VanDerWaalsContact C-N 3.3Å; L226-K228 PolarHBondContact O-N 3.32Å
229E83.3Confident84.8Confident37 Ų3763 Ų6317%0.17332%0.322CS..Hα-helixtrans-72.6-46.8179-168.769177.900111.7L225 L226 I227 L231 N232 Y235 I265 S268 L269L225-E229 WeakPolarHBondContact O-CB 3.38Å; L225-E229 PolarHBondContact O-N 2.73Å; L226-E229 PolarHBondContact O-N 2.92Å; I227-E229 VanDerWaalsContact C-N 3.28Å; I227-E229 PolarHBondContact O-N 3.42Å; E229-L231 VanDerWaalsContact C-N 3.3Å; E229-L231 PolarHBondContact O-N 3.27Å; E229-N232 WeakPolarHBondContact O-CB 3.47Å; E229-N232 PolarHBondContact O-N 3.16Å; E229-N232 VanDerWaalsContact O-N 3.1Å; E229-Y235 HydrophobicContact CG-CE2 4.12Å; E229-Y235 VanDerWaalsContact O-CD2 3.31Å; E229-Y235 WeakPolarHBondContact O-CD2 3.46Å; E229-I265 HydrophobicContact CG-CG1 4.5Å; E229-I265 HydrophobicContact CG-CG2 4.34Å; E229-S268 PolarHBondContact OE1-OG 3.16Å; E229-L269 HydrophobicContact CB-CD2 4.24Å
230V85.6Confident84.9Confident59 Ų5964.9 Ų64.936%0.35833%0.326SS..Hα-helixtrans-65.9-31.9-179.5172.60000112L226 I227 N232 I265L226-V230 HydrophobicContact CD1-CG2 3.75Å; L226-V230 HydrophobicContact CG-CG2 4.2Å; L226-V230 WeakPolarHBondContact O-CB 3.49Å; L226-V230 VanDerWaalsContact O-CG2 3.28Å; L226-V230 WeakPolarHBondContact O-CG2 3.49Å; L226-V230 PolarHBondContact O-N 3.39Å; I227-V230 PolarHBondContact O-N 3.33Å; V230-N232 PolarHBondContact O-N 3.05Å; V230-I265 HydrophobicContact CG2-CD1 4.21Å
231L85.5Confident85.1Confident42 Ų4263.9 Ų63.922%0.2232%0.32CS..THydrogen-bonded Turntrans-75.68.2175.2-68.5177.7000113.9L45 Y48 W49 I227 E229 I236L45-L231 HydrophobicContact CD1-CD2 3.79Å; L45-L231 HydrophobicContact CG-CD2 4.16Å; Y48-L231 HydrophobicContact CD1-CD1 4.16Å; Y48-L231 HydrophobicContact CE1-CB 4.21Å; Y48-L231 HydrophobicContact CE1-CD1 3.84Å; W49-L231 WeakPolarHBondContact CZ2-O 3.16Å; W49-L231 PolarHBondContact NE1-O 3.09Å; I227-L231 HydrophobicContact CG2-CD1 3.61Å; I227-L231 HydrophobicContact CG2-CG 4.19Å; I227-L231 VanDerWaalsContact O-CB 3.31Å; I227-L231 WeakPolarHBondContact O-CB 3.16Å; I227-L231 WeakPolarHBondContact O-CG 3.41Å; I227-L231 PolarHBondContact O-N 2.78Å; E229-L231 VanDerWaalsContact C-N 3.3Å; E229-L231 PolarHBondContact O-N 3.27Å; L231-I236 HydrophobicContact CD2-CD1 4.36Å
232N79.9Confident85Confident48 Ų4861.5 Ų61.526%0.25730%0.302SS..SBendtrans-65.8134169.5-171.9-46.1000109.8E229 V230 F234 Y235 I236E229-N232 WeakPolarHBondContact O-CB 3.47Å; E229-N232 PolarHBondContact O-N 3.16Å; E229-N232 VanDerWaalsContact O-N 3.1Å; V230-N232 PolarHBondContact O-N 3.05Å; N232-F234 PolarHBondContact O-N 2.85Å; N232-F234 WeakPolarHBondContact OD1-CD2 3.44Å; N232-F234 PolarHBondContact OD1-N 3.39Å; N232-Y235 HydrophobicContact CB-CD2 3.99Å; N232-Y235 PolarHBondContact O-N 2.96Å; N232-Y235 VanDerWaalsContact O-N 3.07Å; N232-I236 PolarHBondContact O-N 3.14Å
233P78.6Confident85Confident55 Ų5562.9 Ų62.936%0.35731%0.306SS..Hα-helixtrans-48.2-35.3-179.4-28.731.7000115W49 F237W49-P233 HydrophobicContact CH2-CB 3.96Å; W49-P233 HydrophobicContact CH2-CG 3.93Å; W49-P233 HydrophobicContact CZ2-CB 3.95Å; W49-P233 HydrophobicContact CZ2-CG 3.53Å; P233-F237 WeakPolarHBondContact O-CB 3.33Å; P233-F237 PolarHBondContact O-N 3.11Å
234F78.9Confident84.9Confident35 Ų3556.6 Ų56.615%0.15428%0.279CS..Hα-helixtrans-65.4-45.8179.4-75.9-81.3000113.2N232 I236 F237 Q238 Y430 L433 L477 P478N232-F234 PolarHBondContact O-N 2.85Å; N232-F234 WeakPolarHBondContact OD1-CD2 3.44Å; N232-F234 PolarHBondContact OD1-N 3.39Å; F234-I236 VanDerWaalsContact C-N 3.31Å; F234-I236 PolarHBondContact O-N 3.28Å; F234-F237 PolarHBondContact O-N 2.93Å; F234-Q238 WeakPolarHBondContact O-CB 3.4Å; F234-Q238 PolarHBondContact O-N 2.89Å; F234-Y430 AromaticContact CE2-CE1 3.63Å; F234-Y430 HydrophobicContact CE2-CE1 3.63Å; F234-Y430 AromaticContact CE2-CZ 4Å; F234-Y430 HydrophobicContact CZ-CE1 4.14Å; F234-L433 HydrophobicContact CE1-CD2 4.01Å; F234-L433 HydrophobicContact CZ-CD2 4.1Å; F234-L477 HydrophobicContact CE1-CD2 4.18Å; F234-L477 HydrophobicContact CZ-CD2 4.47Å; F234-P478 HydrophobicContact CB-CG 3.82Å; F234-P478 HydrophobicContact CD1-CG 3.53Å; F234-P478 HydrophobicContact CD2-CG 3.61Å; F234-P478 HydrophobicContact CE1-CG 3.92Å; F234-P478 HydrophobicContact CE2-CG 3.99Å; F234-P478 HydrophobicContact CG-CG 3.36Å; F234-P478 HydrophobicContact CZ-CG 4.14Å
235Y83.4Confident84.8Confident34 Ų3450.2 Ų50.213%0.13325%0.251CS..Hα-helixtrans-71.4-29.4-179.6-69.1-58.7000112.1E229 N232 Q238 L239 S264 I265E229-Y235 HydrophobicContact CG-CE2 4.12Å; E229-Y235 VanDerWaalsContact O-CD2 3.31Å; E229-Y235 WeakPolarHBondContact O-CD2 3.46Å; N232-Y235 HydrophobicContact CB-CD2 3.99Å; N232-Y235 PolarHBondContact O-N 2.96Å; N232-Y235 VanDerWaalsContact O-N 3.07Å; Y235-Q238 PolarHBondContact O-N 2.79Å; Y235-L239 PolarHBondContact O-N 3.2Å; Y235-S264 PolarHBondContact OH-OG 3.19Å; Y235-I265 HydrophobicContact CD1-CD1 3.98Å; Y235-I265 HydrophobicContact CD1-CG1 4.27Å; Y235-I265 HydrophobicContact CD2-CD1 4.42Å; Y235-I265 HydrophobicContact CD2-CG1 4.34Å; Y235-I265 HydrophobicContact CE1-CD1 3.93Å; Y235-I265 HydrophobicContact CE1-CG1 3.74Å; Y235-I265 HydrophobicContact CE2-CD1 4.38Å; Y235-I265 HydrophobicContact CE2-CG1 3.83Å; Y235-I265 HydrophobicContact CG-CD1 4.25Å; Y235-I265 VanDerWaalsContact CZ-CG1 3.49Å
236I83.8Confident84.8Confident40 Ų4051.5 Ų51.521%0.20526%0.261CS..Hα-helixtrans-70.5-44.8174.2-65.2174.3000110.9L45 W49 L231 N232 F234 Q238 L239 F240L45-I236 HydrophobicContact CD1-CD1 3.48Å; L45-I236 VanDerWaalsContact CD1-CD1 3.48Å; L45-I236 HydrophobicContact CD1-CG1 4.46Å; L45-I236 HydrophobicContact CD2-CD1 3.25Å; L45-I236 HydrophobicContact CG-CD1 3.91Å; W49-I236 HydrophobicContact CH2-CD1 3.76Å; W49-I236 HydrophobicContact CZ2-CD1 3.44Å; W49-I236 VanDerWaalsContact CZ2-CD1 3.44Å; L231-I236 HydrophobicContact CD2-CD1 4.36Å; N232-I236 PolarHBondContact O-N 3.14Å; F234-I236 VanDerWaalsContact C-N 3.31Å; F234-I236 PolarHBondContact O-N 3.28Å; I236-Q238 PolarHBondContact O-N 3.29Å; I236-L239 PolarHBondContact O-N 3.21Å; I236-F240 PolarHBondContact O-N 2.81Å
237F82.5Confident84.5Confident58 Ų5852.2 Ų52.225%0.25427%0.268SS..Hα-helixtrans-57.8-42.2173.2-178.6-92.7000110.6P233 F234 L239 F240 S241 V473P233-F237 WeakPolarHBondContact O-CB 3.33Å; P233-F237 PolarHBondContact O-N 3.11Å; F234-F237 PolarHBondContact O-N 2.93Å; F237-L239 PolarHBondContact O-N 3.14Å; F237-F240 WeakPolarHBondContact O-CB 3.12Å; F237-F240 PolarHBondContact O-N 3.2Å; F237-S241 PolarHBondContact O-N 2.72Å; F237-S241 PolarHBondContact O-OG 2.94Å; F237-S241 VanDerWaalsContact O-OG 3.07Å; F237-V473 HydrophobicContact CD1-CB 4.16Å; F237-V473 HydrophobicContact CD1-CG1 3.83Å; F237-V473 HydrophobicContact CE1-CB 3.4Å; F237-V473 VanDerWaalsContact CE1-CB 3.4Å; F237-V473 HydrophobicContact CE1-CG1 3.61Å; F237-V473 HydrophobicContact CE1-CG2 4Å; F237-V473 HydrophobicContact CE2-CG2 4.44Å; F237-V473 HydrophobicContact CZ-CB 3.7Å; F237-V473 HydrophobicContact CZ-CG1 4.21Å; F237-V473 HydrophobicContact CZ-CG2 3.75Å
238Q84.6Confident84Confident15 Ų1549.8 Ų49.87%0.0726%0.256CS..Hα-helixtrans-65.4-38.2176.9-168.4177.123.800113.5F234 Y235 I236 F240 S241 V242 I257 S261 P475F234-Q238 WeakPolarHBondContact O-CB 3.4Å; F234-Q238 PolarHBondContact O-N 2.89Å; Y235-Q238 PolarHBondContact O-N 2.79Å; I236-Q238 PolarHBondContact O-N 3.29Å; Q238-F240 VanDerWaalsContact C-N 3.32Å; Q238-S241 PolarHBondContact O-N 2.84Å; Q238-V242 VanDerWaalsContact O-CG2 3.3Å; Q238-V242 WeakPolarHBondContact O-CG2 3.45Å; Q238-V242 PolarHBondContact O-N 3.37Å; Q238-I257 HydrophobicContact CG-CG2 3.92Å; Q238-S261 PolarHBondContact NE2-OG 2.78Å; Q238-S261 PolarHBondContact OE1-OG 2.77Å; Q238-P475 HydrophobicContact CG-CB 4.41Å
239L86.8Confident84Confident107 Ų10749.5 Ų49.556%0.5626%0.257SS*.Hα-helixtrans-62.8-41.7173.4178.363.5000111Y235 I236 F237 V242 I243Y235-L239 PolarHBondContact O-N 3.2Å; I236-L239 PolarHBondContact O-N 3.21Å; F237-L239 PolarHBondContact O-N 3.14Å; L239-V242 PolarHBondContact O-N 2.77Å; L239-I243 HydrophobicContact CD1-CD1 4.48Å; L239-I243 HydrophobicContact CG-CD1 4.25Å; L239-I243 WeakPolarHBondContact O-CG1 3.46Å; L239-I243 PolarHBondContact O-N 3.44Å; L239-I243 VanDerWaalsContact O-N 3.09Å
240F86.4Confident83.8Confident93 Ų9348.4 Ų48.441%0.40825%0.251SS..Hα-helixtrans-59.1-45.8173169-98.9000111.5I236 F237 Q238 V242 I243 L244 T470I236-F240 PolarHBondContact O-N 2.81Å; F237-F240 WeakPolarHBondContact O-CB 3.12Å; F237-F240 PolarHBondContact O-N 3.2Å; Q238-F240 VanDerWaalsContact C-N 3.32Å; F240-V242 PolarHBondContact O-N 3.28Å; F240-I243 PolarHBondContact O-N 2.82Å; F240-L244 HydrophobicContact CE1-CD1 4.37Å; F240-L244 HydrophobicContact CZ-CD1 4.3Å; F240-L244 PolarHBondContact O-N 3.22Å; F240-T470 HydrophobicContact CD1-CG2 4.34Å; F240-T470 HydrophobicContact CE1-CG2 4.08Å
241S86.3Confident83.7Confident3 Ų351.6 Ų51.62%0.02126%0.258CS..Hα-helixtrans-60.7-43.5176.1-50.50000112.7F237 Q238 I243 L244 W245F237-S241 PolarHBondContact O-N 2.72Å; F237-S241 PolarHBondContact O-OG 2.94Å; F237-S241 VanDerWaalsContact O-OG 3.07Å; Q238-S241 PolarHBondContact O-N 2.84Å; S241-I243 VanDerWaalsContact C-N 3.32Å; S241-I243 PolarHBondContact O-N 2.92Å; S241-L244 WeakPolarHBondContact O-CB 3.42Å; S241-L244 PolarHBondContact O-N 3.46Å; S241-W245 WeakPolarHBondContact O-CB 3.46Å; S241-W245 PolarHBondContact O-N 3.2Å
242V87.9Confident83.7Confident19 Ų1956.9 Ų56.912%0.11528%0.276CS..Hα-helixtrans-61.3-39.7178.1167.50000111.7Q238 L239 F240 W245 S246 A254 I257 V258Q238-V242 VanDerWaalsContact O-CG2 3.3Å; Q238-V242 WeakPolarHBondContact O-CG2 3.45Å; Q238-V242 PolarHBondContact O-N 3.37Å; L239-V242 PolarHBondContact O-N 2.77Å; F240-V242 PolarHBondContact O-N 3.28Å; V242-W245 HydrophobicContact CG2-CE3 4.44Å; V242-S246 WeakPolarHBondContact O-CB 3.44Å; V242-S246 PolarHBondContact O-N 2.99Å; V242-S246 PolarHBondContact O-OG 3.45Å; V242-A254 HydrophobicContact CG1-CB 4.35Å; V242-I257 HydrophobicContact CG2-CG2 4.38Å; V242-V258 HydrophobicContact CB-CG2 4.43Å; V242-V258 HydrophobicContact CG1-CG2 3.74Å; V242-V258 HydrophobicContact CG2-CG2 3.83Å
243I88.1Confident83.9Confident99 Ų9955.3 Ų55.351%0.50827%0.266SS..Hα-helixtrans-65.1-43.5176.2-67.4164.9000110.5L239 F240 S241 S246 T247L239-I243 HydrophobicContact CD1-CD1 4.48Å; L239-I243 HydrophobicContact CG-CD1 4.25Å; L239-I243 WeakPolarHBondContact O-CG1 3.46Å; L239-I243 PolarHBondContact O-N 3.44Å; L239-I243 VanDerWaalsContact O-N 3.09Å; F240-I243 PolarHBondContact O-N 2.82Å; S241-I243 VanDerWaalsContact C-N 3.32Å; S241-I243 PolarHBondContact O-N 2.92Å; I243-S246 PolarHBondContact O-N 2.88Å; I243-T247 PolarHBondContact O-N 2.86Å; I243-T247 VanDerWaalsContact O-N 3.13Å; I243-T247 PolarHBondContact O-OG1 3.48Å
244L87.2Confident84.2Confident12 Ų1252.8 Ų52.86%0.06325%0.25CS..Hα-helixtrans-61.4-52.4177.9-171.8157.7000110.9F240 S241 S246 T247 D248 I463 L466 D467 T470F240-L244 HydrophobicContact CE1-CD1 4.37Å; F240-L244 HydrophobicContact CZ-CD1 4.3Å; F240-L244 PolarHBondContact O-N 3.22Å; S241-L244 WeakPolarHBondContact O-CB 3.42Å; S241-L244 PolarHBondContact O-N 3.46Å; L244-S246 VanDerWaalsContact C-N 3.31Å; L244-S246 PolarHBondContact O-N 3.48Å; L244-T247 WeakPolarHBondContact O-CA 3.39Å; L244-T247 VanDerWaalsContact O-CB 3.3Å; L244-T247 WeakPolarHBondContact O-CB 3.37Å; L244-T247 PolarHBondContact O-N 3.18Å; L244-D248 PolarHBondContact O-N 3.08Å; L244-D248 VanDerWaalsContact O-N 3.16Å; L244-I463 HydrophobicContact CD2-CG2 4.31Å; L244-L466 HydrophobicContact CD1-CB 3.38Å; L244-L466 HydrophobicContact CD1-CD1 4.47Å; L244-D467 HydrophobicContact CD2-CB 3.92Å; L244-T470 HydrophobicContact CD1-CG2 4.05Å
245W85.8Confident84.7Confident8 Ų855.5 Ų55.53%0.0327%0.27CS..Hα-helixtrans-61.9-36.9179.2-63-33.1000112.8S241 V242 T247 D248 E249 Y250 Y253 A254 I257 D467 T470S241-W245 WeakPolarHBondContact O-CB 3.46Å; S241-W245 PolarHBondContact O-N 3.2Å; V242-W245 HydrophobicContact CG2-CE3 4.44Å; W245-T247 PolarHBondContact O-N 3.5Å; W245-D248 CarbonylContact O-C 3.56Å; W245-D248 PolarHBondContact O-N 2.86Å; W245-E249 PolarHBondContact O-N 2.92Å; W245-Y250 WeakPolarHBondContact O-CB 3.35Å; W245-Y250 PolarHBondContact O-N 3.35Å; W245-Y253 HydrophobicContact CD2-CD1 4.03Å; W245-Y253 AromaticContact CD2-CE1 3.77Å; W245-Y253 HydrophobicContact CD2-CE1 3.77Å; W245-Y253 AromaticContact CE2-CE1 3.79Å; W245-Y253 AromaticContact CE3-CD1 3.97Å; W245-Y253 HydrophobicContact CE3-CD1 3.97Å; W245-Y253 AromaticContact CE3-CE1 3.68Å; W245-Y253 HydrophobicContact CE3-CE1 3.68Å; W245-Y253 HydrophobicContact CG-CD1 4.46Å; W245-Y253 AromaticContact CH2-CE1 3.64Å; W245-Y253 HydrophobicContact CH2-CE1 3.64Å; W245-Y253 AromaticContact CZ2-CE1 3.74Å; W245-Y253 HydrophobicContact CZ2-CE1 3.74Å; W245-Y253 HydrophobicContact CZ3-CD1 4.31Å; W245-Y253 AromaticContact CZ3-CE1 3.62Å; W245-Y253 HydrophobicContact CZ3-CE1 3.62Å; W245-A254 HydrophobicContact CB-CB 4.16Å; W245-I257 HydrophobicContact CZ3-CB 4.49Å; W245-I257 HydrophobicContact CZ3-CG1 4.23Å; W245-I257 HydrophobicContact CZ3-CG2 4.29Å; W245-D467 PolarHBondContact NE1-OD1 3.08Å; W245-T470 PolarHBondContact NE1-OG1 3.18Å
246S85.7Confident84.7Confident42 Ų4254.8 Ų54.829%0.29427%0.271SS..Hα-helixtrans-67.2-24.3174.1-55.60000112.8V242 I243 L244 Y251V242-S246 WeakPolarHBondContact O-CB 3.44Å; V242-S246 PolarHBondContact O-N 2.99Å; V242-S246 PolarHBondContact O-OG 3.45Å; I243-S246 PolarHBondContact O-N 2.88Å; L244-S246 VanDerWaalsContact C-N 3.31Å; L244-S246 PolarHBondContact O-N 3.48Å; S246-Y251 WeakPolarHBondContact O-CE1 3.4Å
247T84.5Confident84.7Confident76 Ų7653.4 Ų53.447%0.46626%0.264SS..Hα-helixtrans-80.3-25.1176.6-53.30000111.8I243 L244 W245 E249 I463I243-T247 PolarHBondContact O-N 2.86Å; I243-T247 VanDerWaalsContact O-N 3.13Å; I243-T247 PolarHBondContact O-OG1 3.48Å; L244-T247 WeakPolarHBondContact O-CA 3.39Å; L244-T247 VanDerWaalsContact O-CB 3.3Å; L244-T247 WeakPolarHBondContact O-CB 3.37Å; L244-T247 PolarHBondContact O-N 3.18Å; W245-T247 PolarHBondContact O-N 3.5Å; T247-E249 VanDerWaalsContact C-N 3.34Å; T247-I463 HydrophobicContact CG2-CD1 4.02Å
248D77.3Confident84.9Confident24 Ų2453.8 Ų53.813%0.12827%0.27CS..THydrogen-bonded Turntrans-97.320.2177.9-151.427.1000112.7L244 W245 Y250 I463L244-D248 PolarHBondContact O-N 3.08Å; L244-D248 VanDerWaalsContact O-N 3.16Å; W245-D248 CarbonylContact O-C 3.56Å; W245-D248 PolarHBondContact O-N 2.86Å; D248-Y250 HydrophobicContact CB-CD2 3.78Å; D248-Y250 HydrophobicContact CB-CE2 4.08Å; D248-Y250 PolarHBondContact O-N 3.24Å; D248-Y250 WeakPolarHBondContact OD2-CE2 3.37Å; D248-I463 HydrophobicContact CB-CG2 3.58Å; D248-I463 WeakPolarHBondContact OD1-CG2 3.44Å; D248-I463 WeakPolarHBondContact OD2-CG2 3.49Å
249E81.5Confident85.1Confident133 Ų13356.6 Ų56.662%0.62129%0.288SS*.THydrogen-bonded Turntrans639.8177.9-53.4-170.8169.900116.3W245 T247 Y251W245-E249 PolarHBondContact O-N 2.92Å; T247-E249 VanDerWaalsContact C-N 3.34Å; E249-Y251 HydrophobicContact CB-CD2 4.43Å; E249-Y251 HydrophobicContact CB-CE2 3.87Å; E249-Y251 HydrophobicContact CG-CE2 4.16Å; E249-Y251 WeakPolarHBondContact O-CD2 3.47Å; E249-Y251 PolarHBondContact O-N 2.91Å
250Y78.6Confident84.8Confident15 Ų1554.4 Ų54.46%0.05928%0.276CS..  trans-75.151.4173.7-68.3-54.7000113.9W245 D248 Y252 A254 N979 D982W245-Y250 WeakPolarHBondContact O-CB 3.35Å; W245-Y250 PolarHBondContact O-N 3.35Å; D248-Y250 HydrophobicContact CB-CD2 3.78Å; D248-Y250 HydrophobicContact CB-CE2 4.08Å; D248-Y250 PolarHBondContact O-N 3.24Å; D248-Y250 WeakPolarHBondContact OD2-CE2 3.37Å; Y250-Y252 PolarHBondContact O-N 2.68Å; Y250-A254 VanDerWaalsContact O-CB 3.28Å; Y250-A254 WeakPolarHBondContact O-CB 3.46Å; Y250-A254 PolarHBondContact O-N 2.54Å; Y250-A254 VanDerWaalsContact O-N 3.1Å; Y250-N979 PolarHBondContact OH-ND2 3.02Å; Y250-D982 WeakPolarHBondContact CA-OD2 3.46Å; Y250-D982 WeakPolarHBondContact CD1-OD1 3.33Å; Y250-D982 WeakPolarHBondContact CE1-OD1 3.47Å
251Y84.8Confident84.6Confident126 Ų12650.7 Ų50.749%0.49426%0.262SS..Hα-helixtrans-66-41.2-170.1-61.1-71.2000113.6S246 E249 A254 V255S246-Y251 WeakPolarHBondContact O-CE1 3.4Å; E249-Y251 HydrophobicContact CB-CD2 4.43Å; E249-Y251 HydrophobicContact CB-CE2 3.87Å; E249-Y251 HydrophobicContact CG-CE2 4.16Å; E249-Y251 WeakPolarHBondContact O-CD2 3.47Å; E249-Y251 PolarHBondContact O-N 2.91Å; Y251-A254 PolarHBondContact O-N 2.95Å; Y251-V255 WeakPolarHBondContact O-CB 3.36Å; Y251-V255 VanDerWaalsContact O-CG2 3.24Å; Y251-V255 WeakPolarHBondContact O-CG2 3.4Å; Y251-V255 PolarHBondContact O-N 2.83Å
252Y85.9Confident84.7Confident153 Ų15354.9 Ų54.960%0.629%0.287SS*.Hα-helixtrans-66.4-45.6-175.7-67.3-74.7000111.9Y250 V255 A256 F983Y250-Y252 PolarHBondContact O-N 2.68Å; Y252-V255 PolarHBondContact O-N 2.85Å; Y252-A256 PolarHBondContact O-N 2.74Å; Y252-A256 VanDerWaalsContact O-N 3.08Å; Y252-F983 HydrophobicContact CD2-CZ 4.18Å; Y252-F983 HydrophobicContact CE2-CZ 4.38Å; Y252-F983 HydrophobicContact CG-CZ 4.29Å
253Y82.7Confident84.5Confident14 Ų1458.6 Ų58.66%0.05531%0.305CS..Hα-helixtrans-64.4-47.1177.2176.5-116000111.2W245 V255 A256 I257 F985 D989W245-Y253 HydrophobicContact CD2-CD1 4.03Å; W245-Y253 AromaticContact CD2-CE1 3.77Å; W245-Y253 HydrophobicContact CD2-CE1 3.77Å; W245-Y253 AromaticContact CE2-CE1 3.79Å; W245-Y253 AromaticContact CE3-CD1 3.97Å; W245-Y253 HydrophobicContact CE3-CD1 3.97Å; W245-Y253 AromaticContact CE3-CE1 3.68Å; W245-Y253 HydrophobicContact CE3-CE1 3.68Å; W245-Y253 HydrophobicContact CG-CD1 4.46Å; W245-Y253 AromaticContact CH2-CE1 3.64Å; W245-Y253 HydrophobicContact CH2-CE1 3.64Å; W245-Y253 AromaticContact CZ2-CE1 3.74Å; W245-Y253 HydrophobicContact CZ2-CE1 3.74Å; W245-Y253 HydrophobicContact CZ3-CD1 4.31Å; W245-Y253 AromaticContact CZ3-CE1 3.62Å; W245-Y253 HydrophobicContact CZ3-CE1 3.62Å; Y253-V255 VanDerWaalsContact C-N 3.34Å; Y253-V255 PolarHBondContact O-N 2.86Å; Y253-A256 PolarHBondContact O-N 2.98Å; Y253-I257 HydrophobicContact CD2-CG1 4.25Å; Y253-I257 HydrophobicContact CE1-CG1 4.43Å; Y253-I257 HydrophobicContact CE2-CD1 3.95Å; Y253-I257 HydrophobicContact CE2-CG1 3.82Å; Y253-I257 WeakPolarHBondContact O-CG1 3.29Å; Y253-I257 PolarHBondContact O-N 2.81Å; Y253-I257 VanDerWaalsContact O-N 3.09Å; Y253-F985 HydrophobicContact CD2-CB 4.05Å; Y253-F985 HydrophobicContact CE2-CB 4.2Å; Y253-F985 HydrophobicContact CG-CB 4.38Å; Y253-D989 PolarHBondContact OH-OD2 2.86Å; Y253-D989 VanDerWaalsContact OH-OD2 3.07Å
254A86.2Confident84.1Confident2 Ų255.5 Ų55.52%0.01729%0.292CS..Hα-helixtrans-56.6-45.1176.700000112.5V242 W245 Y250 Y251 I257 V258V242-A254 HydrophobicContact CG1-CB 4.35Å; W245-A254 HydrophobicContact CB-CB 4.16Å; Y250-A254 VanDerWaalsContact O-CB 3.28Å; Y250-A254 WeakPolarHBondContact O-CB 3.46Å; Y250-A254 PolarHBondContact O-N 2.54Å; Y250-A254 VanDerWaalsContact O-N 3.1Å; Y251-A254 PolarHBondContact O-N 2.95Å; A254-I257 PolarHBondContact O-N 2.76Å; A254-V258 WeakPolarHBondContact O-CG2 3.12Å; A254-V258 PolarHBondContact O-N 3.02Å; A254-V258 VanDerWaalsContact O-N 3.11Å
255V87.9Confident84Confident93 Ų9356 Ų5656%0.56430%0.295SS*.Hα-helixtrans-63.4-43.4177.6169.10000111.8Y251 Y252 Y253 I257 V258 V259Y251-V255 WeakPolarHBondContact O-CB 3.36Å; Y251-V255 VanDerWaalsContact O-CG2 3.24Å; Y251-V255 WeakPolarHBondContact O-CG2 3.4Å; Y251-V255 PolarHBondContact O-N 2.83Å; Y252-V255 PolarHBondContact O-N 2.85Å; Y253-V255 VanDerWaalsContact C-N 3.34Å; Y253-V255 PolarHBondContact O-N 2.86Å; V255-I257 VanDerWaalsContact C-N 3.33Å; V255-I257 PolarHBondContact O-N 3.46Å; V255-V258 PolarHBondContact O-N 2.72Å; V255-V259 WeakPolarHBondContact O-CG2 3.27Å; V255-V259 PolarHBondContact O-N 3.17Å
256A84.5Confident84Confident18 Ų1858.2 Ų58.215%0.14932%0.315CS..Hα-helixtrans-62.3-41.4-179.400000112Y252 Y253 V259 M260 L986 I990Y252-A256 PolarHBondContact O-N 2.74Å; Y252-A256 VanDerWaalsContact O-N 3.08Å; Y253-A256 PolarHBondContact O-N 2.98Å; A256-V259 PolarHBondContact O-N 3.14Å; A256-M260 WeakPolarHBondContact O-CG 3.43Å; A256-M260 PolarHBondContact O-N 2.89Å; A256-L986 HydrophobicContact CB-CD1 3.83Å; A256-I990 HydrophobicContact CB-CD1 3.83Å
257I83.6Confident83.6Confident12 Ų1260.1 Ų60.16%0.06233%0.325CS..Hα-helixtrans-64.5-40.6176.3-66.3-63.4000111.6Q238 V242 W245 Y253 A254 V255 M260 S261 P475Q238-I257 HydrophobicContact CG-CG2 3.92Å; V242-I257 HydrophobicContact CG2-CG2 4.38Å; W245-I257 HydrophobicContact CZ3-CB 4.49Å; W245-I257 HydrophobicContact CZ3-CG1 4.23Å; W245-I257 HydrophobicContact CZ3-CG2 4.29Å; Y253-I257 HydrophobicContact CD2-CG1 4.25Å; Y253-I257 HydrophobicContact CE1-CG1 4.43Å; Y253-I257 HydrophobicContact CE2-CD1 3.95Å; Y253-I257 HydrophobicContact CE2-CG1 3.82Å; Y253-I257 WeakPolarHBondContact O-CG1 3.29Å; Y253-I257 PolarHBondContact O-N 2.81Å; Y253-I257 VanDerWaalsContact O-N 3.09Å; A254-I257 PolarHBondContact O-N 2.76Å; V255-I257 VanDerWaalsContact C-N 3.33Å; V255-I257 PolarHBondContact O-N 3.46Å; I257-M260 PolarHBondContact O-N 3.37Å; I257-S261 PolarHBondContact O-N 3.3Å; I257-S261 PolarHBondContact O-OG 2.95Å; I257-P475 HydrophobicContact CD1-CG 4.25Å
258V87.3Confident83.2Confident65 Ų6557.9 Ų57.939%0.39431%0.312SS..Hα-helixtrans-60.3-46.3174170.70000111.2V242 A254 V255 M260 S261 V262V242-V258 HydrophobicContact CB-CG2 4.43Å; V242-V258 HydrophobicContact CG1-CG2 3.74Å; V242-V258 HydrophobicContact CG2-CG2 3.83Å; A254-V258 WeakPolarHBondContact O-CG2 3.12Å; A254-V258 PolarHBondContact O-N 3.02Å; A254-V258 VanDerWaalsContact O-N 3.11Å; V255-V258 PolarHBondContact O-N 2.72Å; V258-M260 VanDerWaalsContact C-N 3.33Å; V258-M260 PolarHBondContact O-N 2.66Å; V258-S261 PolarHBondContact O-N 3.22Å; V258-V262 HydrophobicContact CG1-CG2 4.39Å; V258-V262 WeakPolarHBondContact O-CG2 3.35Å; V258-V262 PolarHBondContact O-N 3.41Å
259V87.4Confident83.6Confident74 Ų7457.6 Ų57.645%0.44831%0.311SS..Hα-helixtrans-58.7-45.6177.9171.20000111V255 A256 S261 V262 I263V255-V259 WeakPolarHBondContact O-CG2 3.27Å; V255-V259 PolarHBondContact O-N 3.17Å; A256-V259 PolarHBondContact O-N 3.14Å; V259-S261 VanDerWaalsContact C-N 3.33Å; V259-S261 PolarHBondContact O-N 2.97Å; V259-V262 PolarHBondContact O-N 3.18Å; V259-I263 HydrophobicContact CG1-CD1 3.98Å; V259-I263 WeakPolarHBondContact O-CG1 3.26Å; V259-I263 PolarHBondContact O-N 3.47Å
260M81.5Confident83.7Confident62 Ų6258.4 Ų58.431%0.30531%0.309SS..Hα-helixtrans-60.4-41.9177.8-75.4-60.3-60.100112.5A256 I257 V258 I263 S264 L994A256-M260 WeakPolarHBondContact O-CG 3.43Å; A256-M260 PolarHBondContact O-N 2.89Å; I257-M260 PolarHBondContact O-N 3.37Å; V258-M260 VanDerWaalsContact C-N 3.33Å; V258-M260 PolarHBondContact O-N 2.66Å; M260-I263 PolarHBondContact O-N 2.99Å; M260-S264 WeakPolarHBondContact O-CB 3.21Å; M260-S264 PolarHBondContact O-N 3.16Å; M260-L994 HydrophobicContact CE-CD1 3.54Å; M260-L994 HydrophobicContact CE-CD2 3.51Å; M260-L994 HydrophobicContact CE-CG 4.16Å; M260-L994 HydrophobicContact SD-CD2 4.04Å
261S83.1Confident83.5Confident15 Ų1561 Ų6111%0.10533%0.326CS..Hα-helixtrans-68.5-39177.4-67.60000113.1Q238 I257 V258 V259 I263 S264 I265Q238-S261 PolarHBondContact NE2-OG 2.78Å; Q238-S261 PolarHBondContact OE1-OG 2.77Å; I257-S261 PolarHBondContact O-N 3.3Å; I257-S261 PolarHBondContact O-OG 2.95Å; V258-S261 PolarHBondContact O-N 3.22Å; V259-S261 VanDerWaalsContact C-N 3.33Å; V259-S261 PolarHBondContact O-N 2.97Å; S261-I263 VanDerWaalsContact C-N 3.33Å; S261-I263 PolarHBondContact O-N 3.03Å; S261-S264 PolarHBondContact O-N 2.66Å; S261-I265 WeakPolarHBondContact O-CB 3.49Å; S261-I265 WeakPolarHBondContact O-CD1 3.24Å; S261-I265 VanDerWaalsContact O-CG1 3.23Å; S261-I265 WeakPolarHBondContact O-CG1 3.47Å; S261-I265 PolarHBondContact O-N 2.79Å
262V87Confident83Confident91 Ų9156.9 Ų56.955%0.55231%0.312SS*.Hα-helixtrans-60.5-44.8174.8170.90000110.6V258 V259 I265 A266V258-V262 HydrophobicContact CG1-CG2 4.39Å; V258-V262 WeakPolarHBondContact O-CG2 3.35Å; V258-V262 PolarHBondContact O-N 3.41Å; V259-V262 PolarHBondContact O-N 3.18Å; V262-I265 PolarHBondContact O-N 3.19Å; V262-A266 VanDerWaalsContact O-CB 3.23Å; V262-A266 WeakPolarHBondContact O-CB 3.49Å; V262-A266 PolarHBondContact O-N 3.46Å
263I84.4Confident83Confident96 Ų9653.9 Ų53.949%0.49230%0.303SS..Hα-helixtrans-63.4-43.8176.9-65.9167.8000111.1V259 M260 S261 A266 T267V259-I263 HydrophobicContact CG1-CD1 3.98Å; V259-I263 WeakPolarHBondContact O-CG1 3.26Å; V259-I263 PolarHBondContact O-N 3.47Å; M260-I263 PolarHBondContact O-N 2.99Å; S261-I263 VanDerWaalsContact C-N 3.33Å; S261-I263 PolarHBondContact O-N 3.03Å; I263-A266 PolarHBondContact O-N 3.47Å; I263-T267 WeakPolarHBondContact O-CB 3.5Å; I263-T267 PolarHBondContact O-N 3.24Å; I263-T267 PolarHBondContact O-OG1 2.8Å
264S80.2Confident82.8Confident34 Ų3459.3 Ų59.324%0.23833%0.327CS..Hα-helixtrans-60.2-51.1177.4-179.60000111.7Y235 M260 S261 T267 S268Y235-S264 PolarHBondContact OH-OG 3.19Å; M260-S264 WeakPolarHBondContact O-CB 3.21Å; M260-S264 PolarHBondContact O-N 3.16Å; S261-S264 PolarHBondContact O-N 2.66Å; S264-T267 PolarHBondContact O-N 2.77Å; S264-S268 WeakPolarHBondContact O-CB 3.37Å; S264-S268 PolarHBondContact O-N 2.91Å
265I84.1Confident82Confident22 Ų2263.6 Ų63.611%0.11335%0.346CS..Hα-helixtrans-62-46.1178.7-68.6162.1000110.3L226 E229 V230 Y235 S261 V262 T267 S268 L269L226-I265 HydrophobicContact CD1-CG2 3.62Å; E229-I265 HydrophobicContact CG-CG1 4.5Å; E229-I265 HydrophobicContact CG-CG2 4.34Å; V230-I265 HydrophobicContact CG2-CD1 4.21Å; Y235-I265 HydrophobicContact CD1-CD1 3.98Å; Y235-I265 HydrophobicContact CD1-CG1 4.27Å; Y235-I265 HydrophobicContact CD2-CD1 4.42Å; Y235-I265 HydrophobicContact CD2-CG1 4.34Å; Y235-I265 HydrophobicContact CE1-CD1 3.93Å; Y235-I265 HydrophobicContact CE1-CG1 3.74Å; Y235-I265 HydrophobicContact CE2-CD1 4.38Å; Y235-I265 HydrophobicContact CE2-CG1 3.83Å; Y235-I265 HydrophobicContact CG-CD1 4.25Å; Y235-I265 VanDerWaalsContact CZ-CG1 3.49Å; S261-I265 WeakPolarHBondContact O-CB 3.49Å; S261-I265 WeakPolarHBondContact O-CD1 3.24Å; S261-I265 VanDerWaalsContact O-CG1 3.23Å; S261-I265 WeakPolarHBondContact O-CG1 3.47Å; S261-I265 PolarHBondContact O-N 2.79Å; V262-I265 PolarHBondContact O-N 3.19Å; I265-T267 VanDerWaalsContact C-N 3.33Å; I265-T267 PolarHBondContact O-N 3.42Å; I265-S268 PolarHBondContact O-N 3.23Å; I265-L269 HydrophobicContact CG2-CD1 3.63Å; I265-L269 HydrophobicContact CG2-CG 4.13Å; I265-L269 WeakPolarHBondContact O-CB 3.5Å; I265-L269 WeakPolarHBondContact O-CG 3.26Å; I265-L269 PolarHBondContact O-N 3.33Å
266A85.9Confident81.5Confident55 Ų5562.7 Ų62.746%0.45533%0.333SS..Hα-helixtrans-60.1-42.9178.600000112.1V262 I263 L269 Y270V262-A266 VanDerWaalsContact O-CB 3.23Å; V262-A266 WeakPolarHBondContact O-CB 3.49Å; V262-A266 PolarHBondContact O-N 3.46Å; I263-A266 PolarHBondContact O-N 3.47Å; A266-L269 PolarHBondContact O-N 3.34Å; A266-Y270 WeakPolarHBondContact O-CB 3.49Å; A266-Y270 PolarHBondContact O-N 2.76Å
267T78Confident81.4Confident82 Ų8264.3 Ų64.350%0.50334%0.341SS..Hα-helixtrans-66.3-44.6177.9-54.80000111.5I263 S264 I265 Y270 T271I263-T267 WeakPolarHBondContact O-CB 3.5Å; I263-T267 PolarHBondContact O-N 3.24Å; I263-T267 PolarHBondContact O-OG1 2.8Å; S264-T267 PolarHBondContact O-N 2.77Å; I265-T267 VanDerWaalsContact C-N 3.33Å; I265-T267 PolarHBondContact O-N 3.42Å; T267-Y270 PolarHBondContact O-N 3.48Å; T267-T271 WeakPolarHBondContact O-CG2 3.09Å; T267-T271 PolarHBondContact O-N 2.76Å; T267-T271 PolarHBondContact O-OG1 3.34Å
268S76.4Confident81Confident29 Ų2970.6 Ų70.620%0.20337%0.372CS..Hα-helixtrans-60.5-45.2175.5-174.20000111.7E229 S264 I265 Y270 T271 I272E229-S268 PolarHBondContact OE1-OG 3.16Å; S264-S268 WeakPolarHBondContact O-CB 3.37Å; S264-S268 PolarHBondContact O-N 2.91Å; I265-S268 PolarHBondContact O-N 3.23Å; S268-Y270 PolarHBondContact O-N 2.92Å; S268-T271 PolarHBondContact O-N 3.21Å; S268-T271 PolarHBondContact O-OG1 3.09Å; S268-I272 WeakPolarHBondContact O-CB 3.35Å; S268-I272 VanDerWaalsContact O-CG1 3.23Å; S268-I272 WeakPolarHBondContact O-CG1 3.27Å; S268-I272 PolarHBondContact O-N 3.1Å
269L84Confident80.2Confident18 Ų1869.1 Ų69.19%0.09436%0.362CS..Hα-helixtrans-65-39.7177.8-71173.2000112.4L225 L226 E229 I265 A266 K273L225-L269 VanDerWaalsContact C-CD2 3.46Å; L225-L269 HydrophobicContact CB-CD2 3.57Å; L226-L269 HydrophobicContact CB-CD1 3.92Å; L226-L269 HydrophobicContact CB-CD2 4.48Å; L226-L269 HydrophobicContact CD1-CD1 3.57Å; L226-L269 HydrophobicContact CG-CD1 4.34Å; E229-L269 HydrophobicContact CB-CD2 4.24Å; I265-L269 HydrophobicContact CG2-CD1 3.63Å; I265-L269 HydrophobicContact CG2-CG 4.13Å; I265-L269 WeakPolarHBondContact O-CB 3.5Å; I265-L269 WeakPolarHBondContact O-CG 3.26Å; I265-L269 PolarHBondContact O-N 3.33Å; A266-L269 PolarHBondContact O-N 3.34Å; L269-K273 WeakPolarHBondContact O-CB 3.29Å; L269-K273 PolarHBondContact O-N 2.97Å
270Y84Confident79.9Confident151 Ų15169 Ų6959%0.59236%0.356SS*.Hα-helixtrans-63.1-45.4176.3176.6-103.1000111.6A266 T267 S268 K274A266-Y270 WeakPolarHBondContact O-CB 3.49Å; A266-Y270 PolarHBondContact O-N 2.76Å; T267-Y270 PolarHBondContact O-N 3.48Å; S268-Y270 PolarHBondContact O-N 2.92Å; Y270-K274 HydrophobicContact CE1-CD 4.38Å; Y270-K274 VanDerWaalsContact O-CB 3.25Å; Y270-K274 WeakPolarHBondContact O-CB 3.48Å; Y270-K274 PolarHBondContact O-N 2.79Å
271T74.4Confident79.6Confident68 Ų6870.3 Ų70.342%0.41736%0.364SS..Hα-helixtrans-66.2-45.6178.753.90000111.8T267 S268 K274 Q275T267-T271 WeakPolarHBondContact O-CG2 3.09Å; T267-T271 PolarHBondContact O-N 2.76Å; T267-T271 PolarHBondContact O-OG1 3.34Å; S268-T271 PolarHBondContact O-N 3.21Å; S268-T271 PolarHBondContact O-OG1 3.09Å; T271-K274 PolarHBondContact O-N 3.34Å; T271-Q275 WeakPolarHBondContact O-CG 3.3Å; T271-Q275 PolarHBondContact O-N 2.49Å
272I74.8Confident78.8Confident40 Ų4073 Ų7321%0.20538%0.376CS..Hα-helixtrans-60.9-48.1177.3-67.9166.8000110.5L225 S268 K274 Q275 Y276L225-I272 HydrophobicContact CD1-CG2 4.05Å; L225-I272 HydrophobicContact CD2-CG2 3.95Å; S268-I272 WeakPolarHBondContact O-CB 3.35Å; S268-I272 VanDerWaalsContact O-CG1 3.23Å; S268-I272 WeakPolarHBondContact O-CG1 3.27Å; S268-I272 PolarHBondContact O-N 3.1Å; I272-K274 VanDerWaalsContact C-N 3.35Å; I272-K274 PolarHBondContact O-N 3.15Å; I272-Q275 PolarHBondContact O-N 3.27Å; I272-Y276 HydrophobicContact CG2-CD2 3.86Å; I272-Y276 HydrophobicContact CG2-CE2 3.84Å; I272-Y276 WeakPolarHBondContact O-CD2 3.43Å; I272-Y276 PolarHBondContact O-N 3.36Å; I272-Y276 VanDerWaalsContact O-N 3.09Å
273K84.9Confident77.9Confident90 Ų9069 Ų6939%0.39135%0.352SS..Hα-helixtrans-61.2-44.4178.3-179.1175.3-179.7-1760111.4V222 L225 L269 Q275 Y276 V277V222-K273 HydrophobicContact CG2-CD 3.77Å; L225-K273 HydrophobicContact CD1-CB 4.34Å; L269-K273 WeakPolarHBondContact O-CB 3.29Å; L269-K273 PolarHBondContact O-N 2.97Å; K273-Q275 VanDerWaalsContact C-N 3.27Å; K273-Q275 PolarHBondContact O-N 3.02Å; K273-Y276 PolarHBondContact O-N 2.91Å; K273-V277 HydrophobicContact CG-CG2 4.24Å; K273-V277 WeakPolarHBondContact O-CG2 3.28Å; K273-V277 PolarHBondContact O-N 3.46Å
274K80.3Confident77.1Confident129 Ų12966.3 Ų66.356%0.56134%0.344SS*.Hα-helixtrans-59.5-38.5178.5-175.9171-178.1167.40111.9Y270 T271 I272 M278Y270-K274 HydrophobicContact CE1-CD 4.38Å; Y270-K274 VanDerWaalsContact O-CB 3.25Å; Y270-K274 WeakPolarHBondContact O-CB 3.48Å; Y270-K274 PolarHBondContact O-N 2.79Å; T271-K274 PolarHBondContact O-N 3.34Å; I272-K274 VanDerWaalsContact C-N 3.35Å; I272-K274 PolarHBondContact O-N 3.15Å; K274-M278 WeakPolarHBondContact O-CB 3.32Å; K274-M278 PolarHBondContact O-N 3.29Å
275Q69.3Low76.2Confident91 Ų9168.5 Ų68.543%0.42536%0.364SS..Hα-helixtrans-65-44.9174.5-72174.9-4100112.2T271 I272 K273 V277 M278 L279T271-Q275 WeakPolarHBondContact O-CG 3.3Å; T271-Q275 PolarHBondContact O-N 2.49Å; I272-Q275 PolarHBondContact O-N 3.27Å; K273-Q275 VanDerWaalsContact C-N 3.27Å; K273-Q275 PolarHBondContact O-N 3.02Å; Q275-V277 PolarHBondContact O-N 3.22Å; Q275-M278 PolarHBondContact O-N 3.28Å; Q275-L279 PolarHBondContact O-N 3.4Å
276Y77.1Confident75.2Confident75 Ų7570.7 Ų70.729%0.29437%0.373SS..Hα-helixtrans-64.1-38.5176.5-86.8-76.2000113P220 I272 K273 H280P220-Y276 HydrophobicContact CG-CD2 4.21Å; P220-Y276 HydrophobicContact CG-CE2 4.23Å; P220-Y276 HydrophobicContact CG-CG 4.38Å; I272-Y276 HydrophobicContact CG2-CD2 3.86Å; I272-Y276 HydrophobicContact CG2-CE2 3.84Å; I272-Y276 WeakPolarHBondContact O-CD2 3.43Å; I272-Y276 PolarHBondContact O-N 3.36Å; I272-Y276 VanDerWaalsContact O-N 3.09Å; K273-Y276 PolarHBondContact O-N 2.91Å; Y276-H280 WeakPolarHBondContact O-CB 3.16Å; Y276-H280 PolarHBondContact O-N 2.89Å
277V82.8Confident74Confident52 Ų5269 Ų6932%0.31536%0.359SS..Hα-helixtrans-66.5-47.1176.71720000110.6V219 K273 Q275 L279 H280 D281V219-V277 HydrophobicContact CG1-CG2 4.28Å; K273-V277 HydrophobicContact CG-CG2 4.24Å; K273-V277 WeakPolarHBondContact O-CG2 3.28Å; K273-V277 PolarHBondContact O-N 3.46Å; Q275-V277 PolarHBondContact O-N 3.22Å; V277-L279 VanDerWaalsContact C-N 3.28Å; V277-L279 PolarHBondContact O-N 2.93Å; V277-H280 WeakPolarHBondContact O-CB 3.1Å; V277-H280 PolarHBondContact O-N 3.33Å; V277-H280 VanDerWaalsContact O-N 3.13Å; V277-D281 WeakPolarHBondContact CG1-OD2 2.94Å; V277-D281 PolarHBondContact O-N 2.85Å
278M75Confident73.9Confident144 Ų14470.5 Ų70.571%0.70936%0.362SS*.Hα-helixtrans-56.8-42.8176.5-179.6179.8167.400112.1K274 Q275 M282K274-M278 WeakPolarHBondContact O-CB 3.32Å; K274-M278 PolarHBondContact O-N 3.29Å; Q275-M278 PolarHBondContact O-N 3.28Å; M278-M282 WeakPolarHBondContact O-CB 3.25Å; M278-M282 PolarHBondContact O-N 2.85Å; M278-M282 VanDerWaalsContact O-N 3.15Å
279L70.4Confident74.1Confident34 Ų3471.1 Ų71.118%0.17837%0.365CS..Hα-helixtrans-68.5-39.6177-175.164000112.4V217 Q275 V277 M282 V283 I415 L416V217-L279 HydrophobicContact CG1-CD2 4.44Å; V217-L279 HydrophobicContact CG1-CG 4.5Å; Q275-L279 PolarHBondContact O-N 3.4Å; V277-L279 VanDerWaalsContact C-N 3.28Å; V277-L279 PolarHBondContact O-N 2.93Å; L279-M282 HydrophobicContact CD1-CE 3.83Å; L279-V283 WeakPolarHBondContact O-CG2 3.49Å; L279-V283 PolarHBondContact O-N 3.39Å; L279-I415 HydrophobicContact CD1-CG2 4.25Å; L279-I415 HydrophobicContact CD2-CG2 4.45Å; L279-L416 HydrophobicContact CD2-CD2 3.39Å; L279-L416 HydrophobicContact CD2-CG 4.25Å
280H79.6Confident74.2Confident70 Ų7078.5 Ų78.532%0.32439%0.391SS..Hα-helixtrans-61.6-48.1175170.2-86.7000111.4V217 V219 Y276 V277 M282 V283 A284V217-H280 HydrophobicContact CB-CB 4.41Å; V217-H280 HydrophobicContact CG1-CB 4.49Å; V217-H280 PolarHBondContact O-CD2 2.63Å; V217-H280 VanDerWaalsContact O-CD2 3.26Å; V219-H280 HydrophobicContact CG2-CB 3.69Å; Y276-H280 WeakPolarHBondContact O-CB 3.16Å; Y276-H280 PolarHBondContact O-N 2.89Å; V277-H280 WeakPolarHBondContact O-CB 3.1Å; V277-H280 PolarHBondContact O-N 3.33Å; V277-H280 VanDerWaalsContact O-N 3.13Å; H280-M282 VanDerWaalsContact C-N 3.32Å; H280-M282 PolarHBondContact O-N 2.86Å; H280-V283 PolarHBondContact O-N 3.15Å; H280-V283 VanDerWaalsContact O-N 3.14Å; H280-A284 WeakPolarHBondContact O-CB 3.44Å; H280-A284 PolarHBondContact O-N 2.73Å
281D75.2Confident74.4Confident90 Ų9072 Ų7248%0.48137%0.367SS..Hα-helixtrans-64.8-37.6-177.4-62.9-14.8000111.5V277 V283 A285V277-D281 WeakPolarHBondContact CG1-OD2 2.94Å; V277-D281 PolarHBondContact O-N 2.85Å; D281-V283 VanDerWaalsContact C-N 3.3Å; D281-V283 PolarHBondContact O-N 3.42Å; D281-A285 WeakPolarHBondContact O-CB 3.48Å; D281-A285 PolarHBondContact O-N 3.23Å; D281-A285 VanDerWaalsContact O-N 3.17Å
282M67.1Low75.2Confident73 Ų7370.5 Ų70.536%0.3636%0.36SS..Hα-helixtrans-59.9-38.9173.9-169.2-176.28500112.4M278 L279 H280 V924M278-M282 WeakPolarHBondContact O-CB 3.25Å; M278-M282 PolarHBondContact O-N 2.85Å; M278-M282 VanDerWaalsContact O-N 3.15Å; L279-M282 HydrophobicContact CD1-CE 3.83Å; H280-M282 VanDerWaalsContact C-N 3.32Å; H280-M282 PolarHBondContact O-N 2.86Å; M282-V924 HydrophobicContact CE-CB 4.38Å; M282-V924 HydrophobicContact CE-CG1 3.53Å; M282-V924 HydrophobicContact CE-CG2 3.91Å; M282-V924 HydrophobicContact SD-CG2 4Å
283V68.5Low75.9Confident7 Ų768.6 Ų68.64%0.04235%0.35CS..Hα-helixtrans-83.4-38.2-179.4177.60000112I215 V217 L279 H280 D281 V412I215-V283 HydrophobicContact CB-CG1 3.9Å; I215-V283 HydrophobicContact CG2-CG1 3.78Å; I215-V283 VanDerWaalsContact O-CG1 3.24Å; I215-V283 WeakPolarHBondContact O-CG1 3.47Å; V217-V283 HydrophobicContact CG2-CB 4.08Å; V217-V283 HydrophobicContact CG2-CG1 4.17Å; V217-V283 HydrophobicContact CG2-CG2 3.94Å; L279-V283 WeakPolarHBondContact O-CG2 3.49Å; L279-V283 PolarHBondContact O-N 3.39Å; H280-V283 PolarHBondContact O-N 3.15Å; H280-V283 VanDerWaalsContact O-N 3.14Å; D281-V283 VanDerWaalsContact C-N 3.3Å; D281-V283 PolarHBondContact O-N 3.42Å; V283-V412 HydrophobicContact CG2-CG1 3.96Å; V283-V412 HydrophobicContact CG2-CG2 4.01Å
284A68Low76Confident39 Ų3964.3 Ų64.332%0.32233%0.331SS..Hα-helixtrans-72.6-29.3-175.100000113.6H280 H286 S287H280-A284 WeakPolarHBondContact O-CB 3.44Å; H280-A284 PolarHBondContact O-N 2.73Å; A284-H286 PolarHBondContact O-N 2.88Å; A284-S287 PolarHBondContact O-N 3.05Å; A284-S287 PolarHBondContact O-OG 2.83Å
285A61.3Low76.3Confident79 Ų7959.3 Ų59.365%0.65331%0.309SS*.THydrogen-bonded Turntrans-59-13.9177.400000114D281D281-A285 WeakPolarHBondContact O-CB 3.48Å; D281-A285 PolarHBondContact O-N 3.23Å; D281-A285 VanDerWaalsContact O-N 3.17Å
286H61.8Low76.7Confident68 Ų6856.9 Ų56.932%0.31530%0.304SS..THydrogen-bonded Turntrans-127.216.4-172.7-60.198.7000114.2A284 K408A284-H286 PolarHBondContact O-N 2.88Å; H286-K408 VanDerWaalsContact CB-NZ 3.3Å
287S62.1Low76.5Confident21 Ų2159.4 Ų59.415%0.14732%0.323CS..SBendtrans-106.8-21.1-168.961.50000116.3A284 S305A284-S287 PolarHBondContact O-N 3.05Å; A284-S287 PolarHBondContact O-OG 2.83Å; S287-S305 PolarHBondContact O-OG 2.96Å
288I74.3Confident76.1Confident112 Ų11262 Ų6257%0.57434%0.335SS*.  trans-122106.5-174.9-52.5177000110.3S305 I306I288-S305 WeakPolarHBondContact CA-OG 3.32Å; I288-I306 HydrophobicContact CG1-CG2 4.44Å
289V82Confident76.4Confident43 Ų4360.2 Ų60.226%0.26133%0.328SS..  trans-133.3148.5179.3-173.50000108.5S305V289-S305 PolarHBondContact N-OG 3.19Å; V289-S305 VanDerWaalsContact O-CB 3.29Å; V289-S305 WeakPolarHBondContact O-CB 3.37Å; V289-S305 PolarHBondContact O-N 3.27Å; V289-S305 PolarHBondContact O-OG 2.93Å
290R86.3Confident77.1Confident172 Ų17262.1 Ų62.165%0.64934%0.341SS*.EExtended strand (participates in β ladder)trans-81.3131.7170.7-67.8-179.875.5136.60.2109E302 L304R290-E302 IonicContact CZ-OE2 3.82Å; R290-E302 VanDerWaalsContact CZ-OE2 3.27Å; R290-E302 IonicContact NE-OE2 2.73Å; R290-E302 PolarHBondContact NE-OE2 3.41Å; R290-E302 VanDerWaalsContact NE-OE2 3.09Å; R290-E302 IonicContact NH2-OE2 3.26Å; R290-E302 PolarHBondContact NH2-OE2 2.85Å; R290-L304 HydrophobicContact CG-CD2 4.18Å
291V87.3Confident77.5Confident14 Ų1462.3 Ų62.39%0.08534%0.343CS..EExtended strand (participates in β ladder)trans-129.3133.6-173.7-161.70000109T303 L308 V314 P324V291-T303 PolarHBondContact N-O 2.74Å; V291-T303 PolarHBondContact O-N 3.25Å; V291-L308 HydrophobicContact CG2-CD1 4.24Å; V291-V314 HydrophobicContact CG1-CB 3.97Å; V291-V314 HydrophobicContact CG1-CG1 3.71Å; V291-P324 HydrophobicContact CG2-CG 3.92Å
292S90.5Very high78.1Confident37 Ų3763.4 Ų63.426%0.25935%0.345SS..EExtended strand (participates in β ladder)trans-81.9123.6173.8-60.80000109.4V314 V315S292-V314 CarbonylContact O-C 3.19Å; S292-V314 WeakPolarHBondContact O-CA 3.23Å; S292-V315 PolarHBondContact O-N 2.99Å
293V90Very high79.1Confident0 Ų060.8 Ų60.80%033%0.333CS..EExtended strand (participates in β ladder)trans-118.9130.4-177.2-175.70000109.7V300 E301 T303 L308 D312 V313 V314V293-V300 WeakPolarHBondContact O-CA 3.33Å; V293-E301 PolarHBondContact N-O 3.37Å; V293-E301 PolarHBondContact O-N 2.98Å; V293-T303 VanDerWaalsContact CG2-OG1 3.26Å; V293-T303 WeakPolarHBondContact CG2-OG1 3.43Å; V293-L308 HydrophobicContact CG2-CD2 3.69Å; V293-D312 HydrophobicContact CG1-CB 4.21Å; V293-V313 CarbonylContact C-O 3.3Å; V293-V313 VanDerWaalsContact CA-O 3.32Å; V293-V313 WeakPolarHBondContact CA-O 3.39Å; V293-V313 WeakPolarHBondContact CG1-O 3.38Å; V293-V314 HydrophobicContact CG2-CG1 4.33Å
294C86.7Confident80.1Confident1 Ų164 Ų641%0.00735%0.349CS..EExtended strand (participates in β ladder)trans-84.9124.7173.7-167.60000109.4V313 V315C294-V313 HydrophobicContact CB-CB 4.12Å; C294-V313 HydrophobicContact CB-CG1 3.93Å; C294-V313 PolarHBondContact N-O 2.94Å; C294-V315 HydrophobicContact CB-CG2 4.38Å
295R87.3Confident81Confident23 Ų2362.1 Ų62.19%0.08733%0.334CS..  trans-95.4165.6175.9-59.6-60.9-178.1-154.8-4.2110.9A196 L198 N297 N298 D299 E301 D312A196-R295 CarbonylContact O-C 3.57Å; L198-R295 WeakPolarHBondContact O-CD 3.49Å; R295-N297 PolarHBondContact O-N 3.12Å; R295-N298 WeakPolarHBondContact O-CA 3.47Å; R295-N298 PolarHBondContact O-N 2.96Å; R295-D299 PolarHBondContact N-O 2.75Å; R295-E301 IonicContact CZ-OE2 2.72Å; R295-E301 IonicContact NE-OE2 3.06Å; R295-E301 PolarHBondContact NE-OE2 2.98Å; R295-E301 IonicContact NH2-OE2 2.9Å; R295-D312 IonicContact NH1-OD1 3.26Å; R295-D312 PolarHBondContact NH1-OD1 3.45Å
296A77.8Confident82.3Confident40 Ų4060.3 Ų60.333%0.33131%0.313SS..THydrogen-bonded Turntrans-50.9-24.1179.400000115A196 T199 N298A196-A296 VanDerWaalsContact O-CA 3.23Å; A196-A296 WeakPolarHBondContact O-CA 3.17Å; A196-A296 PolarHBondContact O-N 3.38Å; T199-A296 HydrophobicContact CG2-CB 3.75Å; A296-N298 VanDerWaalsContact C-N 3.27Å; A296-N298 PolarHBondContact O-N 2.91Å
297N73.8Confident83.6Confident129 Ų12958.9 Ų58.969%0.6931%0.307SS*.THydrogen-bonded Turntrans-83.15.8176.6-64.4-2.9000113.9R295 D299R295-N297 PolarHBondContact O-N 3.12Å; N297-D299 PolarHBondContact O-N 3.06Å
298N72.7Confident84.9Confident107 Ų10757.9 Ų57.957%0.57230%0.3SS*.SBendtrans62.49.3-167.3-84-24.7000115.6R295 A296R295-N298 WeakPolarHBondContact O-CA 3.47Å; R295-N298 PolarHBondContact O-N 2.96Å; A296-N298 VanDerWaalsContact C-N 3.27Å; A296-N298 PolarHBondContact O-N 2.91Å
299D82.5Confident85.7Confident105 Ų10552.6 Ų52.656%0.56127%0.273SS*.  trans-75.4136.8172.5-65-37.3000110.7R295 N297R295-D299 PolarHBondContact N-O 2.75Å; N297-D299 PolarHBondContact O-N 3.06Å
300V84.8Confident86.1Confident74 Ų7450.5 Ų50.545%0.44826%0.261SS..EExtended strand (participates in β ladder)trans-96.8117.9174.8-176.80000109V293 V315 L394V293-V300 WeakPolarHBondContact O-CA 3.33Å; V300-V315 HydrophobicContact CG1-CG2 4.4Å; V300-V315 HydrophobicContact CG2-CG2 4.4Å; V300-L394 HydrophobicContact CG2-CD1 4.1Å
301E88.6Confident86.2Confident75 Ų7542.3 Ų42.335%0.3523%0.23SC..EExtended strand (participates in β ladder)trans-113135.3179.1-175.9-175.3-16600109.8V293 R295 T303V293-E301 PolarHBondContact N-O 3.37Å; V293-E301 PolarHBondContact O-N 2.98Å; R295-E301 IonicContact CZ-OE2 2.72Å; R295-E301 IonicContact NE-OE2 3.06Å; R295-E301 PolarHBondContact NE-OE2 2.98Å; R295-E301 IonicContact NH2-OE2 2.9Å; E301-T303 HydrophobicContact CG-CG2 3.99Å
302E87.5Confident86.3Confident112 Ų11241.7 Ų41.752%0.52323%0.226SC..EExtended strand (participates in β ladder)trans-80.2123.3168.3-74.2-164.417400110.8R290R290-E302 IonicContact CZ-OE2 3.82Å; R290-E302 VanDerWaalsContact CZ-OE2 3.27Å; R290-E302 IonicContact NE-OE2 2.73Å; R290-E302 PolarHBondContact NE-OE2 3.41Å; R290-E302 VanDerWaalsContact NE-OE2 3.09Å; R290-E302 IonicContact NH2-OE2 3.26Å; R290-E302 PolarHBondContact NH2-OE2 2.85Å
303T87.9Confident86.3Confident19 Ų1940 Ų4012%0.11721%0.214CC..EExtended strand (participates in β ladder)trans-129.6167.7175.560.30000110.9V291 V293 E301V291-T303 PolarHBondContact N-O 2.74Å; V291-T303 PolarHBondContact O-N 3.25Å; V293-T303 VanDerWaalsContact CG2-OG1 3.26Å; V293-T303 WeakPolarHBondContact CG2-OG1 3.43Å; E301-T303 HydrophobicContact CG-CG2 3.99Å
304L88.8Confident86.5Confident74 Ų7440 Ų4039%0.38722%0.215SC..EExtended strand (participates in β ladder)trans-82144175.2-66.1169.4000110.2R290 I306 D307R290-L304 HydrophobicContact CG-CD2 4.18Å; L304-I306 HydrophobicContact CB-CD1 4.4Å; L304-I306 HydrophobicContact CB-CG1 3.7Å; L304-I306 HydrophobicContact CD1-CD1 4.24Å; L304-I306 HydrophobicContact CD1-CG1 4.43Å; L304-I306 PolarHBondContact O-N 3.12Å; L304-D307 PolarHBondContact O-N 3.35Å
305S87.4Confident86.7Confident0 Ų040.7 Ų40.70%022%0.218CC..G310 helixtrans-52.4-28.8177.756.60000114.1N213 S287 I288 V289 D307 L308N213-S305 WeakPolarHBondContact CB-O 2.83Å; N213-S305 PolarHBondContact ND2-O 3.22Å; S287-S305 PolarHBondContact O-OG 2.96Å; I288-S305 WeakPolarHBondContact CA-OG 3.32Å; V289-S305 PolarHBondContact N-OG 3.19Å; V289-S305 VanDerWaalsContact O-CB 3.29Å; V289-S305 WeakPolarHBondContact O-CB 3.37Å; V289-S305 PolarHBondContact O-N 3.27Å; V289-S305 PolarHBondContact O-OG 2.93Å; S305-D307 VanDerWaalsContact C-N 3.25Å; S305-D307 PolarHBondContact O-N 3.16Å; S305-L308 WeakPolarHBondContact O-CB 3.48Å; S305-L308 WeakPolarHBondContact O-CG 3.42Å; S305-L308 PolarHBondContact O-N 3.15Å
306I88.4Confident86.8Confident41 Ų4140 Ų4021%0.2122%0.216CC..G310 helixtrans-66.7-22.5179.658.8163.3000114V212 N213 I288 L304V212-I306 WeakPolarHBondContact CA-O 3.36Å; V212-I306 WeakPolarHBondContact CB-O 3.47Å; N213-I306 PolarHBondContact N-O 3.41Å; I288-I306 HydrophobicContact CG1-CG2 4.44Å; L304-I306 HydrophobicContact CB-CD1 4.4Å; L304-I306 HydrophobicContact CB-CG1 3.7Å; L304-I306 HydrophobicContact CD1-CD1 4.24Å; L304-I306 HydrophobicContact CD1-CG1 4.43Å; L304-I306 PolarHBondContact O-N 3.12Å
307D88.9Confident87.3Confident37 Ų3740.4 Ų40.420%0.19822%0.215CC..G310 helixtrans-93.4-4.8-176.1-65.5-36.4000112.3Q203 R207 L304 S305Q203-D307 PolarHBondContact NE2-O 2.85Å; R207-D307 IonicContact CZ-OD1 3.42Å; R207-D307 IonicContact NH1-OD1 3.42Å; R207-D307 PolarHBondContact NH1-OD1 3.31Å; R207-D307 IonicContact NH2-OD1 3.87Å; R207-D307 PolarHBondContact NH2-OD1 3.13Å; L304-D307 PolarHBondContact O-N 3.35Å; S305-D307 VanDerWaalsContact C-N 3.25Å; S305-D307 PolarHBondContact O-N 3.16Å
308L90.4Very high87.6Confident0 Ų036.9 Ų36.90%020%0.201CC..  trans-65.3137.8178.5-65.9175.7000111.5N213 V291 V293 S305 D312 V314 P324N213-L308 HydrophobicContact CB-CB 4.31Å; V291-L308 HydrophobicContact CG2-CD1 4.24Å; V293-L308 HydrophobicContact CG2-CD2 3.69Å; S305-L308 WeakPolarHBondContact O-CB 3.48Å; S305-L308 WeakPolarHBondContact O-CG 3.42Å; S305-L308 PolarHBondContact O-N 3.15Å; L308-D312 HydrophobicContact CD2-CB 4.36Å; L308-V314 HydrophobicContact CD1-CG1 4.28Å; L308-V314 HydrophobicContact CD2-CG1 3.85Å; L308-P324 HydrophobicContact CD1-CB 4.47Å; L308-P324 HydrophobicContact CD1-CG 3.79Å
309V90.8Very high87.8Confident1 Ų138.5 Ų38.51%0.00621%0.21CC..  trans-127.4158.2173.8-60.50000111L198 Q203 R206 R207 G311 D312L198-V309 HydrophobicContact CD1-CG2 3.9Å; Q203-V309 HydrophobicContact CB-CG2 4.27Å; Q203-V309 HydrophobicContact CG-CG2 3.69Å; R206-V309 HydrophobicContact CB-CB 4.2Å; R206-V309 HydrophobicContact CB-CG2 4.03Å; R207-V309 HydrophobicContact CB-CG1 3.86Å; R207-V309 HydrophobicContact CG-CG1 4.35Å; V309-G311 PolarHBondContact O-N 2.83Å; V309-D312 WeakPolarHBondContact CG2-OD2 3.38Å; V309-D312 PolarHBondContact N-OD2 3.3Å; V309-D312 PolarHBondContact O-N 3.01Å; V309-D312 VanDerWaalsContact O-N 3.13Å
310P89.9Confident87.7Confident0 Ų034.2 Ų34.20%019%0.19CC..THydrogen-bonded Turntrans-52.7125.3172.1-28.237000112L180 R206 F210 V399 T402L180-P310 HydrophobicContact CD1-CB 3.92Å; R206-P310 WeakPolarHBondContact CD-O 3.21Å; R206-P310 PolarHBondContact NH1-O 2.92Å; F210-P310 HydrophobicContact CD1-CG 3.97Å; F210-P310 HydrophobicContact CD2-CG 4Å; F210-P310 HydrophobicContact CE1-CG 4.11Å; F210-P310 HydrophobicContact CE2-CB 4.45Å; F210-P310 HydrophobicContact CE2-CG 4.14Å; F210-P310 HydrophobicContact CG-CG 3.92Å; F210-P310 HydrophobicContact CZ-CG 4.2Å; P310-V399 CarbonylContact C-O 3.55Å; P310-V399 WeakPolarHBondContact CA-O 3.25Å; P310-T402 HydrophobicContact CG-CG2 4.38Å
311G87.6Confident87.8Confident0 Ų032 Ų320%018%0.177CC..THydrogen-bonded Turntrans101.2-9.9-17900000115.3L180 L198 V309 V399L180-G311 VanDerWaalsContact CD1-N 3.26Å; L198-G311 WeakPolarHBondContact CG-O 3.49Å; V309-G311 PolarHBondContact O-N 2.83Å; G311-V399 PolarHBondContact N-O 3.07Å
312D90.3Very high87.7Confident1 Ų131.2 Ų31.21%0.00518%0.175CC..  trans-62.3147.2169.4-82.8-35.6000110.5V293 R295 L308 V309 V398 V399V293-D312 HydrophobicContact CG1-CB 4.21Å; R295-D312 IonicContact NH1-OD1 3.26Å; R295-D312 PolarHBondContact NH1-OD1 3.45Å; L308-D312 HydrophobicContact CD2-CB 4.36Å; V309-D312 WeakPolarHBondContact CG2-OD2 3.38Å; V309-D312 PolarHBondContact N-OD2 3.3Å; V309-D312 PolarHBondContact O-N 3.01Å; V309-D312 VanDerWaalsContact O-N 3.13Å; D312-V398 CarbonylContact O-C 3.6Å; D312-V398 WeakPolarHBondContact O-CA 3.41Å; D312-V399 HydrophobicContact CB-CG2 4.09Å; D312-V399 WeakPolarHBondContact O-CG2 3.42Å; D312-V399 PolarHBondContact O-N 2.89Å
313V91.3Very high87.8Confident0 Ų026 Ų260%015%0.15CC..EExtended strand (participates in β ladder)trans-105.3110.7176.3176.10000108.9H194 V293 C294 I330 K396 A397 V398H194-V313 WeakPolarHBondContact O-CG2 3.38Å; V293-V313 CarbonylContact C-O 3.3Å; V293-V313 VanDerWaalsContact CA-O 3.32Å; V293-V313 WeakPolarHBondContact CA-O 3.39Å; V293-V313 WeakPolarHBondContact CG1-O 3.38Å; C294-V313 HydrophobicContact CB-CB 4.12Å; C294-V313 HydrophobicContact CB-CG1 3.93Å; C294-V313 PolarHBondContact N-O 2.94Å; V313-I330 HydrophobicContact CG1-CD1 4.3Å; V313-K396 HydrophobicContact CG1-CB 3.94Å; V313-K396 HydrophobicContact CG1-CD 4.17Å; V313-K396 HydrophobicContact CG1-CG 4.3Å; V313-A397 CarbonylContact C-O 3.5Å; V313-A397 WeakPolarHBondContact CA-O 3.19Å; V313-V398 HydrophobicContact CG2-CG2 4.02Å
314V92.3Very high87.9Confident2 Ų225.7 Ų25.71%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-91141.7177-63.20000110.9V291 S292 V293 L308 I316 K396 A397 V399V291-V314 HydrophobicContact CG1-CB 3.97Å; V291-V314 HydrophobicContact CG1-CG1 3.71Å; S292-V314 CarbonylContact O-C 3.19Å; S292-V314 WeakPolarHBondContact O-CA 3.23Å; V293-V314 HydrophobicContact CG2-CG1 4.33Å; L308-V314 HydrophobicContact CD1-CG1 4.28Å; L308-V314 HydrophobicContact CD2-CG1 3.85Å; V314-I316 HydrophobicContact CG2-CD1 3.91Å; V314-K396 WeakPolarHBondContact O-CA 3.26Å; V314-A397 HydrophobicContact CG2-CB 3.98Å; V314-A397 WeakPolarHBondContact CG2-O 3.37Å; V314-A397 PolarHBondContact N-O 2.94Å; V314-A397 PolarHBondContact O-N 2.86Å; V314-V399 HydrophobicContact CG1-CG2 3.95Å
315V91.3Very high88Confident14 Ų1422.2 Ų22.29%0.08513%0.13CC..EExtended strand (participates in β ladder)trans-98.3122172.51790000108.4S292 C294 V300 L394 V395S292-V315 PolarHBondContact O-N 2.99Å; C294-V315 HydrophobicContact CB-CG2 4.38Å; V300-V315 HydrophobicContact CG1-CG2 4.4Å; V300-V315 HydrophobicContact CG2-CG2 4.4Å; V315-L394 HydrophobicContact CG1-CB 4.02Å; V315-L394 HydrophobicContact CG1-CD1 4.27Å; V315-L394 HydrophobicContact CG1-CD2 4.2Å; V315-L394 HydrophobicContact CG1-CG 4.39Å; V315-L394 HydrophobicContact CG2-CD1 4.43Å; V315-V395 WeakPolarHBondContact CA-O 3.34Å
316I90.8Very high88.2Confident9 Ų922.2 Ų22.25%0.04613%0.13CC..PPolyproline II helixtrans-88.6123-177.9-49.8-56.6000109.1V314 T321 M323 L378 V384 T387 V395V314-I316 HydrophobicContact CG2-CD1 3.91Å; I316-T321 HydrophobicContact CG2-CG2 4.07Å; I316-M323 HydrophobicContact CD1-CE 4.11Å; I316-M323 HydrophobicContact CD1-SD 3.83Å; I316-L378 HydrophobicContact CD1-CD1 4.25Å; I316-L378 HydrophobicContact CG1-CD1 4.2Å; I316-V384 HydrophobicContact CG2-CB 4.31Å; I316-V384 HydrophobicContact CG2-CG1 3.91Å; I316-V384 HydrophobicContact CG2-CG2 4.18Å; I316-T387 HydrophobicContact CB-CG2 4.02Å; I316-T387 HydrophobicContact CG2-CG2 3.47Å; I316-T387 VanDerWaalsContact CG2-CG2 3.47Å; I316-V395 HydrophobicContact CB-CB 4.47Å; I316-V395 HydrophobicContact CB-CG1 4.16Å; I316-V395 HydrophobicContact CG1-CG1 4.37Å; I316-V395 PolarHBondContact N-O 3Å
317P87.5Confident88.3Confident48 Ų4820.2 Ų20.231%0.31212%0.12SC..PPolyproline II helixtrans-72.2155.2-17733-37.5000111.8N319 G320 T321 T387P317-N319 WeakPolarHBondContact CB-OD1 3.31Å; P317-G320 PolarHBondContact O-N 3.29Å; P317-T321 HydrophobicContact CG-CG2 4.1Å; P317-T387 WeakPolarHBondContact O-CG2 3.48Å
318S80.2Confident88.5Confident56 Ų5618.5 Ų18.539%0.39211%0.111SC..THydrogen-bonded Turntrans-70.1-33.9-177.553.30000113.9G320 T387S318-G320 PolarHBondContact O-N 2.7Å; S318-T387 WeakPolarHBondContact CA-OG1 3.42Å
319N76.6Confident88.4Confident140 Ų14018.5 Ų18.575%0.74911%0.111SC*.THydrogen-bonded Turntrans-79.213.2178.163.9-26.7000114.2P317P317-N319 WeakPolarHBondContact CB-OD1 3.31Å
320G80.1Confident88.3Confident15 Ų1519.1 Ų19.116%0.15511%0.114CC..  trans81.7159.6177.600000114.4P317 S318 V384P317-G320 PolarHBondContact O-N 3.29Å; S318-G320 PolarHBondContact O-N 2.7Å; G320-V384 CarbonylContact C-O 3.5Å; G320-V384 WeakPolarHBondContact CA-O 3.19Å
321T87Confident88Confident28 Ų2820.4 Ų20.417%0.17212%0.123CC..EExtended strand (participates in β ladder)trans-159.3152.4177.3-168.70000111I316 P317 M323 V384I316-T321 HydrophobicContact CG2-CG2 4.07Å; P317-T321 HydrophobicContact CG-CG2 4.1Å; T321-M323 HydrophobicContact CG2-SD 4.37Å; T321-V384 HydrophobicContact CG2-CB 4.45Å; T321-V384 HydrophobicContact CG2-CG2 4.36Å; T321-V384 PolarHBondContact N-O 3.24Å; T321-V384 WeakPolarHBondContact O-CB 3.37Å; T321-V384 PolarHBondContact O-N 3.36Å
322I87.6Confident87.6Confident58 Ų5820.8 Ų20.830%0.29713%0.127SC..EExtended strand (participates in β ladder)trans-81.9124.9170.1-59.1174.7000108.1P324I322-P324 WeakPolarHBondContact O-CD 3.4Å
323M89.7Confident87.3Confident2 Ų222.1 Ų22.11%0.0114%0.135CC..  trans-67.8122.4-177.7-71.1-56.4-56.900111.4I316 T321 A327 L378 F379 C380 G381 T382 V384I316-M323 HydrophobicContact CD1-CE 4.11Å; I316-M323 HydrophobicContact CD1-SD 3.83Å; T321-M323 HydrophobicContact CG2-SD 4.37Å; M323-A327 HydrophobicContact CE-CB 4.15Å; M323-L378 HydrophobicContact CE-CB 3.77Å; M323-L378 HydrophobicContact CE-CD1 3.92Å; M323-L378 HydrophobicContact CG-CB 4.12Å; M323-L378 HydrophobicContact SD-CB 4.19Å; M323-L378 HydrophobicContact SD-CD1 3.89Å; M323-F379 WeakPolarHBondContact CB-O 3.47Å; M323-C380 CarbonylContact O-C 3.39Å; M323-C380 WeakPolarHBondContact O-CA 3.34Å; M323-G381 PolarHBondContact O-N 2.9Å; M323-T382 PolarHBondContact N-O 2.98Å; M323-V384 HydrophobicContact CG-CG2 3.77Å; M323-V384 HydrophobicContact SD-CG2 3.69Å
324P89Confident87Confident14 Ų1422.1 Ų22.19%0.09114%0.135CC..  trans-86.6-12.1-178.332.2-34.3000114.1N213 V291 L308 I322 C380N213-P324 PolarHBondContact ND2-O 2.72Å; N213-P324 VanDerWaalsContact ND2-O 3.16Å; V291-P324 HydrophobicContact CG2-CG 3.92Å; L308-P324 HydrophobicContact CD1-CB 4.47Å; L308-P324 HydrophobicContact CD1-CG 3.79Å; I322-P324 WeakPolarHBondContact O-CD 3.4Å; P324-C380 VanDerWaalsContact C-SG 3.6Å; P324-C380 PolarHBondContact O-SG 3.4Å
325C90.6Very high86.7Confident0 Ų022 Ų220%014%0.135CC..SBendtrans-152.2170.1-17556.90000110.2C380 V399 R401 T402C325-C380 PolarHBondContact O-N 2.68Å; C325-V399 HydrophobicContact CB-CG1 4.12Å; C325-R401 WeakPolarHBondContact CB-O 3.42Å; C325-T402 HydrophobicContact CB-CG2 4.33Å
326D91.6Very high86.5Confident0 Ų021.4 Ų21.40%013%0.131CC..EExtended strand (participates in β ladder)trans-83.4123170.3-60.6-15.3000108.2L378 F379 C380 V400 R401 T406 A407D326-L378 CarbonylContact C-O 3.59Å; D326-L378 VanDerWaalsContact CA-O 3.31Å; D326-L378 WeakPolarHBondContact CA-O 3.19Å; D326-F379 WeakPolarHBondContact OD1-CA 3.19Å; D326-C380 WeakPolarHBondContact OD1-CB 3.44Å; D326-C380 PolarHBondContact OD1-N 2.91Å; D326-V400 PolarHBondContact O-N 3.14Å; D326-R401 HydrophobicContact CB-CB 4.11Å; D326-R401 PolarHBondContact N-O 3.26Å; D326-R401 VanDerWaalsContact N-O 3.16Å; D326-R401 PolarHBondContact O-N 2.92Å; D326-T406 WeakPolarHBondContact OD2-CA 3.35Å; D326-T406 WeakPolarHBondContact OD2-CB 3.34Å; D326-A407 PolarHBondContact OD2-N 3.27Å
327A92.1Very high86.1Confident0 Ų022.9 Ų22.90%014%0.139CC..EExtended strand (participates in β ladder)trans-139140.8-17500000112.1M323 T377 L378 A397 V398M323-A327 HydrophobicContact CE-CB 4.15Å; A327-T377 CarbonylContact O-C 3.54Å; A327-T377 WeakPolarHBondContact O-CA 3.3Å; A327-L378 PolarHBondContact N-O 3.29Å; A327-L378 PolarHBondContact O-N 3.13Å; A327-A397 HydrophobicContact CB-CB 4.02Å; A327-V398 CarbonylContact C-O 3.54Å; A327-V398 WeakPolarHBondContact CA-O 3.23Å; A327-V398 WeakPolarHBondContact CB-O 3.48Å
328V91.5Very high85.7Confident0 Ų021 Ų210%013%0.126CC..EExtended strand (participates in β ladder)trans-93.8130.9177.563.60000110.9I190 L353 Y368 H376 A397 V398 V400I190-V328 HydrophobicContact CG2-CG1 4.12Å; V328-L353 HydrophobicContact CG2-CB 4.25Å; V328-L353 HydrophobicContact CG2-CD1 4.37Å; V328-L353 HydrophobicContact CG2-CD2 4.28Å; V328-Y368 HydrophobicContact CB-CE2 4Å; V328-Y368 HydrophobicContact CG2-CD2 4.29Å; V328-Y368 HydrophobicContact CG2-CE2 3.63Å; V328-H376 HydrophobicContact CG2-CB 4.23Å; V328-A397 CarbonylContact O-C 3.58Å; V328-A397 WeakPolarHBondContact O-CA 3.42Å; V328-A397 WeakPolarHBondContact O-CB 3.21Å; V328-V398 HydrophobicContact CG1-CB 3.9Å; V328-V398 PolarHBondContact N-O 3.47Å; V328-V398 PolarHBondContact O-N 2.98Å; V328-V400 HydrophobicContact CB-CG2 4.05Å; V328-V400 HydrophobicContact CG1-CG2 3.9Å
329L89.7Confident85Confident0 Ų019.3 Ų19.30%012%0.115CC..EExtended strand (participates in β ladder)trans-77123-177.4-165.667.7000110.5S331 G332 N352 L353 H376 L378 V395 A397L329-S331 WeakPolarHBondContact CD1-O 3.24Å; L329-G332 VanDerWaalsContact CD2-O 3.28Å; L329-G332 WeakPolarHBondContact CD2-O 3.5Å; L329-N352 CarbonylContact O-C 3.5Å; L329-N352 WeakPolarHBondContact O-CA 3.11Å; L329-L353 PolarHBondContact O-N 3.14Å; L329-H376 WeakPolarHBondContact CB-O 3.2Å; L329-H376 PolarHBondContact N-O 2.77Å; L329-L378 HydrophobicContact CD1-CD1 4.3Å; L329-V395 HydrophobicContact CD1-CG1 3.72Å; L329-A397 HydrophobicContact CD1-CB 4.2Å
330I87.3Confident84.5Confident15 Ų1513.7 Ų13.78%0.0778%0.084CC..  trans-104.5-31.7-179.754.3165.4000112.6I190 V313 N352 K396 V398I190-I330 HydrophobicContact CG2-CG2 4.33Å; V313-I330 HydrophobicContact CG1-CD1 4.3Å; I330-N352 WeakPolarHBondContact O-CB 3.45Å; I330-K396 HydrophobicContact CD1-CB 3.75Å; I330-K396 HydrophobicContact CD1-CD 4.47Å; I330-K396 HydrophobicContact CG1-CB 3.67Å; I330-K396 WeakPolarHBondContact CG1-O 3.46Å; I330-K396 PolarHBondContact N-O 3.33Å; I330-V398 HydrophobicContact CD1-CG2 4.08Å; I330-V398 HydrophobicContact CG1-CG2 4.44Å; I330-V398 HydrophobicContact CG2-CG2 3.72Å
331S83.6Confident83.8Confident26 Ų2614.4 Ų14.418%0.1828%0.084CC..SBendtrans-135.9151.2173.876.20000111.4L329 L394 V395 K396L329-S331 WeakPolarHBondContact CD1-O 3.24Å; S331-L394 PolarHBondContact OG-O 3.41Å; S331-V395 WeakPolarHBondContact O-CG1 3.38Å; S331-K396 PolarHBondContact N-O 3.44Å; S331-K396 PolarHBondContact O-N 3.19Å; S331-K396 PolarHBondContact OG-N 3.44Å
332G80.9Confident82.6Confident9 Ų914.1 Ų14.19%0.0938%0.082CC..SBendtrans76.6-176.2179.700000114.5L329 N352L329-G332 VanDerWaalsContact CD2-O 3.28Å; L329-G332 WeakPolarHBondContact CD2-O 3.5Å; G332-N352 PolarHBondContact O-N 2.78Å
333T82.8Confident81Confident28 Ų2811.7 Ų11.717%0.1727%0.072CC..EExtended strand (participates in β ladder)trans-129.7150.4172.464.40000110K350 T351 T387 R388T333-K350 VanDerWaalsContact CA-O 3.29Å; T333-K350 WeakPolarHBondContact CA-O 3.21Å; T333-K350 WeakPolarHBondContact CB-O 3.17Å; T333-T351 HydrophobicContact CG2-CG2 4.2Å; T333-T387 WeakPolarHBondContact O-CA 3.24Å; T333-R388 PolarHBondContact N-O 2.94Å; T333-R388 PolarHBondContact O-N 3.15Å; T333-R388 WeakPolarHBondContact OG1-CB 3.43Å
334C86.1Confident79.8Confident0 Ų016.4 Ų16.40%09%0.094CC..EExtended strand (participates in β ladder)trans-128.2136.7-177.4-67.40000109.9V336 T349 K350 L378 V384C334-V336 HydrophobicContact CB-CG2 3.93Å; C334-T349 CarbonylContact O-C 3.48Å; C334-K350 HydrophobicContact CB-CB 4.38Å; C334-K350 PolarHBondContact N-O 3.16Å; C334-K350 PolarHBondContact O-N 3.01Å; C334-L378 HydrophobicContact CB-CD2 4.12Å; C334-V384 HydrophobicContact CB-CG1 4.17Å
335I85.6Confident78.4Confident1 Ų119.9 Ų19.91%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-96.1121.7167.4-58.7177.4000107.2P347 I385 Q386 T568 I570I335-P347 HydrophobicContact CG2-CB 3.91Å; I335-I385 HydrophobicContact CG2-CD1 4.32Å; I335-I385 PolarHBondContact O-N 3.42Å; I335-Q386 PolarHBondContact N-O 3.24Å; I335-Q386 PolarHBondContact O-N 3.28Å; I335-T568 HydrophobicContact CD1-CG2 4.37Å; I335-I570 HydrophobicContact CG2-CD1 4.09Å
336V86.7Confident77.4Confident0 Ų021.7 Ų21.70%013%0.13CC..EExtended strand (participates in β ladder)trans-127.9133.7-168.7-172.40000110C334 E338 P347 V348 K350 L378 T382 N383 V384C334-V336 HydrophobicContact CB-CG2 3.93Å; V336-E338 HydrophobicContact CB-CG 4.46Å; V336-E338 HydrophobicContact CG1-CG 4Å; V336-P347 WeakPolarHBondContact O-CA 3.22Å; V336-V348 PolarHBondContact N-O 2.62Å; V336-V348 PolarHBondContact O-N 2.96Å; V336-K350 HydrophobicContact CB-CG 4.42Å; V336-K350 HydrophobicContact CG2-CG 3.81Å; V336-L378 HydrophobicContact CG2-CD2 3.59Å; V336-T382 VanDerWaalsContact CG1-CB 3.49Å; V336-T382 HydrophobicContact CG1-CG2 4.43Å; V336-T382 VanDerWaalsContact CG1-OG1 3.32Å; V336-T382 WeakPolarHBondContact CG1-OG1 3.36Å; V336-N383 CarbonylContact C-O 3.57Å; V336-N383 WeakPolarHBondContact CA-O 3.33Å; V336-V384 HydrophobicContact CG2-CG2 4.3Å
337N82.3Confident76.8Confident41 Ų4122.8 Ų22.822%0.21914%0.136CC..EExtended strand (participates in β ladder)trans-87.4109.7164.3-171.5-7.6000109.5S339 T382 N383 I385N337-S339 WeakPolarHBondContact OD1-CB 3.45Å; N337-S339 PolarHBondContact OD1-N 3.26Å; N337-S339 PolarHBondContact OD1-OG 3.49Å; N337-S339 VanDerWaalsContact OD1-OG 3.14Å; N337-T382 WeakPolarHBondContact O-CB 3.49Å; N337-N383 HydrophobicContact CB-CB 4.38Å; N337-N383 PolarHBondContact N-O 3.06Å; N337-N383 PolarHBondContact O-N 3.07Å; N337-I385 HydrophobicContact CB-CD1 4.15Å; N337-I385 HydrophobicContact CB-CG1 4.33Å
338E78.5Confident76.2Confident7 Ų725.2 Ų25.23%0.03315%0.151CC..  trans-94.510178.7-55.6-157141.600113.7V336 M340 L341 T342 K350 F379 T382V336-E338 HydrophobicContact CB-CG 4.46Å; V336-E338 HydrophobicContact CG1-CG 4Å; E338-M340 PolarHBondContact O-N 3.34Å; E338-L341 PolarHBondContact O-N 3.21Å; E338-T342 HydrophobicContact CB-CG2 3.98Å; E338-T342 PolarHBondContact O-N 3.48Å; E338-T342 PolarHBondContact O-OG1 2.9Å; E338-K350 VanDerWaalsContact CD-NZ 3.32Å; E338-K350 WeakPolarHBondContact OE1-CE 3.21Å; E338-K350 IonicContact OE1-NZ 3.46Å; E338-K350 PolarHBondContact OE1-NZ 3.21Å; E338-K350 IonicContact OE2-NZ 2.69Å; E338-K350 PolarHBondContact OE2-NZ 3.19Å; E338-F379 WeakPolarHBondContact OE1-CD2 3.45Å; E338-T382 HydrophobicContact CB-CG2 4.12Å; E338-T382 HydrophobicContact CG-CG2 3.97Å
339S67Low75.7Confident22 Ų2227.4 Ų27.415%0.15417%0.165CC..Hα-helixtrans-52.9-26.9-176.468.80000114.1N337 L341 G343 E344N337-S339 WeakPolarHBondContact OD1-CB 3.45Å; N337-S339 PolarHBondContact OD1-N 3.26Å; N337-S339 PolarHBondContact OD1-OG 3.49Å; N337-S339 VanDerWaalsContact OD1-OG 3.14Å; S339-L341 VanDerWaalsContact C-N 3.33Å; S339-G343 WeakPolarHBondContact O-CA 3.19Å; S339-G343 PolarHBondContact O-N 2.72Å; S339-E344 WeakPolarHBondContact CA-O 3.34Å; S339-E344 WeakPolarHBondContact CB-O 3.3Å; S339-E344 PolarHBondContact N-O 2.87Å
340M65.4Low75.5Confident21 Ų2127.6 Ų27.610%0.10317%0.165CC..Hα-helixtrans-61.5-38.1174.9-162.8174.2170.400112.8E338 G381 K408 E921E338-M340 PolarHBondContact O-N 3.34Å; M340-G381 WeakPolarHBondContact SD-CA 3.46Å; M340-K408 HydrophobicContact CE-CD 3.54Å; M340-K408 HydrophobicContact CE-CG 4.17Å; M340-K408 HydrophobicContact SD-CD 4.36Å; M340-E921 WeakPolarHBondContact CE-OE1 3.42Å; M340-E921 VanDerWaalsContact CE-OE2 3.22Å; M340-E921 WeakPolarHBondContact CE-OE2 3.41Å; M340-E921 HydrophobicContact CG-CG 4.09Å; M340-E921 WeakPolarHBondContact CG-OE1 3.27Å; M340-E921 WeakPolarHBondContact CG-OE2 3.48Å; M340-E921 WeakPolarHBondContact O-CB 3.22Å
341L65.3Low75.3Confident31 Ų3128.1 Ų28.116%0.16217%0.169CC..Hα-helixtrans-104.8-37.6-176.4-66.3169.4000112.3E338 S339 F379 T382 A407 K408 A902E338-L341 PolarHBondContact O-N 3.21Å; S339-L341 VanDerWaalsContact C-N 3.33Å; L341-F379 HydrophobicContact CD1-CB 3.09Å; L341-F379 HydrophobicContact CD1-CD1 4.44Å; L341-F379 HydrophobicContact CD1-CD2 4.41Å; L341-F379 HydrophobicContact CD1-CG 3.79Å; L341-T382 HydrophobicContact CD1-CG2 3.61Å; L341-T382 HydrophobicContact CG-CG2 4.3Å; L341-A407 HydrophobicContact CD2-CB 4.38Å; L341-K408 HydrophobicContact CD2-CB 4.12Å; L341-A902 VanDerWaalsContact O-CB 3.25Å; L341-A902 WeakPolarHBondContact O-CB 3.29Å
342T61.8Low75.3Confident21 Ų2130.1 Ų30.113%0.12918%0.178CC..Hα-helixtrans-96-11.9-175.563.20000112.9E338 E344 A902E338-T342 HydrophobicContact CB-CG2 3.98Å; E338-T342 PolarHBondContact O-N 3.48Å; E338-T342 PolarHBondContact O-OG1 2.9Å; T342-E344 PolarHBondContact O-N 2.93Å; T342-E344 PolarHBondContact OG1-N 3.25Å; T342-A902 VanDerWaalsContact CA-CB 3.47Å; T342-A902 WeakPolarHBondContact O-CA 3.06Å; T342-A902 WeakPolarHBondContact O-CB 3.43Å; T342-A902 PolarHBondContact O-N 3.46Å
343G54.3Low75.3Confident8 Ų829.7 Ų29.78%0.08217%0.174CC..  trans66.4-5.9-174.300000113.8S339 L920S339-G343 WeakPolarHBondContact O-CA 3.19Å; S339-G343 PolarHBondContact O-N 2.72Å; G343-L920 WeakPolarHBondContact O-CD1 3.39Å
344E63.9Low74.9Confident101 Ų10132.1 Ų32.147%0.47219%0.19SC..  trans-88.3126.7179.3-66.5176.4179.500109.1S339 T342 V346S339-E344 WeakPolarHBondContact CA-O 3.34Å; S339-E344 WeakPolarHBondContact CB-O 3.3Å; S339-E344 PolarHBondContact N-O 2.87Å; T342-E344 PolarHBondContact O-N 2.93Å; T342-E344 PolarHBondContact OG1-N 3.25Å; E344-V346 PolarHBondContact O-N 3.3Å
345S58.7Low74Confident87 Ų8736.8 Ų36.861%0.60822%0.215SC*.  trans-80-2.4-179.355.70000114.1P347S345-P347 WeakPolarHBondContact O-CD 3.5Å
346V70.8Confident72.8Confident38 Ų3839.3 Ų39.323%0.2323%0.232CC..SBendtrans-78.8125-176.4179.80000109.9E344 G576 P578E344-V346 PolarHBondContact O-N 3.3Å; V346-G576 WeakPolarHBondContact CG1-O 3.43Å; V346-P578 HydrophobicContact CG2-CG 4.34Å
347P77.9Confident71.3Confident22 Ų2244.7 Ų44.714%0.14326%0.259CS..  trans-64.5138.7175.1-22.435000112.2I335 V336 S345 I385 I570 S575I335-P347 HydrophobicContact CG2-CB 3.91Å; V336-P347 WeakPolarHBondContact O-CA 3.22Å; S345-P347 WeakPolarHBondContact O-CD 3.5Å; P347-I385 HydrophobicContact CB-CD1 4Å; P347-I385 HydrophobicContact CG-CD1 4.01Å; P347-I570 HydrophobicContact CB-CD1 4Å; P347-I570 HydrophobicContact CG-CD1 3.8Å; P347-S575 WeakPolarHBondContact CD-OG 3.38Å; P347-S575 WeakPolarHBondContact CG-OG 3.44Å
348V79.3Confident69.4Low52 Ų5249.2 Ų49.232%0.31529%0.291SS..EExtended strand (participates in β ladder)trans-114.3134.8-178.5-178.60000110V336V336-V348 PolarHBondContact N-O 2.62Å; V336-V348 PolarHBondContact O-N 2.96Å
349T81.4Confident68Low46 Ų4652.7 Ų52.728%0.28233%0.329SS..EExtended strand (participates in β ladder)trans-88.3119174-58.30000111C334C334-T349 CarbonylContact O-C 3.48Å
350K85.8Confident67Low3 Ų358 Ų581%0.01335%0.351CS..EExtended strand (participates in β ladder)trans-97.4134.8176.4-59.6-71.3-176.6163.60110.3T333 C334 V336 E338 K374 R375 T377 L378T333-K350 VanDerWaalsContact CA-O 3.29Å; T333-K350 WeakPolarHBondContact CA-O 3.21Å; T333-K350 WeakPolarHBondContact CB-O 3.17Å; C334-K350 HydrophobicContact CB-CB 4.38Å; C334-K350 PolarHBondContact N-O 3.16Å; C334-K350 PolarHBondContact O-N 3.01Å; V336-K350 HydrophobicContact CB-CG 4.42Å; V336-K350 HydrophobicContact CG2-CG 3.81Å; E338-K350 VanDerWaalsContact CD-NZ 3.32Å; E338-K350 WeakPolarHBondContact OE1-CE 3.21Å; E338-K350 IonicContact OE1-NZ 3.46Å; E338-K350 PolarHBondContact OE1-NZ 3.21Å; E338-K350 IonicContact OE2-NZ 2.69Å; E338-K350 PolarHBondContact OE2-NZ 3.19Å; K350-K374 PolarHBondContact NZ-O 3.17Å; K350-R375 WeakPolarHBondContact CA-O 3.18Å; K350-R375 WeakPolarHBondContact CD-O 3.48Å; K350-T377 PolarHBondContact NZ-O 3.32Å; K350-L378 HydrophobicContact CB-CD2 4.04Å; K350-L378 HydrophobicContact CG-CD2 3.88Å
351T83.9Confident65.8Low26 Ų2668.1 Ų68.116%0.1639%0.388CS..EExtended strand (participates in β ladder)trans-113.7152.4-177.151.50000110.6T333 R375 H376T333-T351 HydrophobicContact CG2-CG2 4.2Å; T351-R375 PolarHBondContact N-O 3Å; T351-H376 WeakPolarHBondContact O-CA 3.22Å; T351-H376 PolarHBondContact O-ND1 2.93Å; T351-H376 PolarHBondContact OG1-CE1 3.48Å; T351-H376 PolarHBondContact OG1-ND1 3.44Å
352N83.3Confident64.5Low68 Ų6876.7 Ų76.736%0.36443%0.427SS..PPolyproline II helixtrans-60.3150.8175.563.5-47000112.3L329 I330 G332 H376L329-N352 CarbonylContact O-C 3.5Å; L329-N352 WeakPolarHBondContact O-CA 3.11Å; I330-N352 WeakPolarHBondContact O-CB 3.45Å; G332-N352 PolarHBondContact O-N 2.78Å; N352-H376 PolarHBondContact O-CE1 3.2Å; N352-H376 VanDerWaalsContact O-CE1 3.29Å; N352-H376 PolarHBondContact O-ND1 3.48Å
353L81.3Confident63.7Low0 Ų079 Ų790%046%0.456CS..PPolyproline II helixtrans-60.9131.6176.9-170.270.6000109.4C187 I190 H191 V328 L329 N355 Y368 H376C187-L353 HydrophobicContact CB-CD2 3.92Å; C187-L353 HydrophobicContact CB-CG 4.29Å; I190-L353 HydrophobicContact CB-CD2 4.41Å; I190-L353 HydrophobicContact CD1-CD2 4.43Å; I190-L353 HydrophobicContact CG2-CD2 4.42Å; H191-L353 PolarHBondContact CE1-O 3.04Å; H191-L353 PolarHBondContact NE2-O 2.71Å; V328-L353 HydrophobicContact CG2-CB 4.25Å; V328-L353 HydrophobicContact CG2-CD1 4.37Å; V328-L353 HydrophobicContact CG2-CD2 4.28Å; L329-L353 PolarHBondContact O-N 3.14Å; L353-N355 PolarHBondContact O-N 3.33Å; L353-Y368 HydrophobicContact CD1-CD2 4.42Å; L353-H376 HydrophobicContact CB-CB 4.39Å; L353-H376 HydrophobicContact CD1-CB 4.01Å
354P73.8Confident63.5Low79 Ų7986.2 Ų86.251%0.51349%0.487SS..PPolyproline II helixtrans-59.3137.4177.7-20.332.1000111
355N67.5Low63.2Low99 Ų9985 Ų8553%0.52948%0.484SS..  trans-110.6103.8173.8-171.510.7000108.9L353 L357L353-N355 PolarHBondContact O-N 3.33Å; N355-L357 PolarHBondContact O-N 2.75Å
356P60Low63.4Low54 Ų5484.2 Ų84.235%0.35148%0.478SS..  trans-65.6127.3175.424.7-29.4000109.7
357L55.2Low63.6Low112 Ų11284.7 Ų84.759%0.58649%0.486SS*.  trans-65.4147.6177.4-82125.3000110.4N355 G359 E360N355-L357 PolarHBondContact O-N 2.75Å; L357-G359 PolarHBondContact O-N 3.03Å; L357-E360 PolarHBondContact O-N 3.07Å
358P43.1Very low63.7Low137 Ų13784.3 Ų84.389%0.8948%0.482SS*.THydrogen-bonded Turntrans-63.5103.4176.48.4-4.9000109.8
359G47.9Very low63.7Low79 Ų7984.9 Ų84.981%0.81448%0.483SS*.THydrogen-bonded Turntrans137.1-11.1178.400000116.1L357L357-G359 PolarHBondContact O-N 3.03Å
360E45.7Very low63.4Low133 Ų13382.7 Ų82.762%0.62147%0.47SS*.SBendtrans-83.7140.1169.3-68.5-175.415900110.1L357L357-E360 PolarHBondContact O-N 3.07Å
361R41.6Very low62.7Low235 Ų23588.8 Ų88.889%0.88750%0.498SS*.  trans-51.7140.8-159-67172.4175.6176.1-2.6113.6G363R361-G363 PolarHBondContact O-N 2.89Å
362E38.1Very low62.2Low210 Ų21094.4 Ų94.498%0.98152%0.522SS*.THydrogen-bonded Turntrans-56.917.3178.8-63.2173.8149.100116.5
363G44Very low62.1Low71 Ų7192.6 Ų92.673%0.73251%0.512SS*.THydrogen-bonded Turntrans-105.9-5.5-17600000116.5R361R361-G363 PolarHBondContact O-N 2.89Å
364E49.5Very low62.1Low159 Ų15996.9 Ų96.974%0.74353%0.53SS*.  trans-122.21.9-172.6-75.4-175174.100115.4C366E364-C366 VanDerWaalsContact C-N 3.3Å; E364-C366 PolarHBondContact O-N 2.91Å
365D58.3Low62.4Low74 Ų7497.9 Ų97.940%0.39652%0.524SS..  trans-79.479.9177.9-156.515.9000110.4S186 S188S186-D365 WeakPolarHBondContact CB-OD2 3.41Å; S186-D365 PolarHBondContact OG-OD2 3.03Å; S188-D365 WeakPolarHBondContact CB-OD2 3.47Å; S188-D365 PolarHBondContact N-OD1 2.83Å; S188-D365 PolarHBondContact OG-OD1 2.86Å; S188-D365 PolarHBondContact OG-OD2 3.08Å
366C63.9Low63.3Low71 Ų7194.3 Ų94.348%0.4850%0.504SS..PPolyproline II helixtrans-72.8144.6178.5-64.90000111.1C187 E364C187-C366 PolarHBondContact N-O 3.44Å; C187-C366 PolarHBondContact SG-O 2.67Å; C187-C366 VanDerWaalsContact SG-O 3.36Å; E364-C366 VanDerWaalsContact C-N 3.3Å; E364-C366 PolarHBondContact O-N 2.91Å
367A74.8Confident64.7Low49 Ų4991.8 Ų91.841%0.40549%0.488SS..BIsolated β-bridgetrans-60137.8170.100000110N369A367-N369 PolarHBondContact O-N 3.14Å
368Y79.4Confident66.5Low13 Ų1386.4 Ų86.45%0.05146%0.46CS..PPolyproline II helixtrans-66.2122.5176.4172.1-89.7000110E181 V185 I190 V328 L353 T370 H373 T377 V400E181-Y368 HydrophobicContact CG-CD1 4.08Å; E181-Y368 HydrophobicContact CG-CE1 4.04Å; V185-Y368 PolarHBondContact O-N 3.46Å; I190-Y368 HydrophobicContact CD1-CD1 4.24Å; I190-Y368 HydrophobicContact CD1-CD2 4.1Å; I190-Y368 HydrophobicContact CD1-CG 3.67Å; V328-Y368 HydrophobicContact CB-CE2 4Å; V328-Y368 HydrophobicContact CG2-CD2 4.29Å; V328-Y368 HydrophobicContact CG2-CE2 3.63Å; L353-Y368 HydrophobicContact CD1-CD2 4.42Å; Y368-T370 PolarHBondContact OH-OG1 2.69Å; Y368-T370 VanDerWaalsContact OH-OG1 3.09Å; Y368-H373 HydrophobicContact CD2-CB 4.02Å; Y368-H373 HydrophobicContact CE2-CB 3.77Å; Y368-T377 WeakPolarHBondContact OH-CG2 3.16Å; Y368-T377 PolarHBondContact OH-OG1 3.29Å; Y368-V400 HydrophobicContact CE1-CG1 3.89Å; Y368-V400 HydrophobicContact CE1-CG2 4.11Å
369N78.3Confident68.7Low65 Ų6580.5 Ų80.535%0.34842%0.42SS..  trans-127.2126.5171.5-178-24.7000108.8A367 E371 E372 H373A367-N369 PolarHBondContact O-N 3.14Å; N369-E371 PolarHBondContact O-N 2.86Å; N369-E371 PolarHBondContact OD1-N 2.85Å; N369-E372 HydrophobicContact CB-CB 4.3Å; N369-E372 HydrophobicContact CB-CG 4.3Å; N369-E372 PolarHBondContact O-N 3.19Å; N369-H373 PolarHBondContact N-ND1 2.85Å; N369-H373 WeakPolarHBondContact O-CB 3.39Å; N369-H373 PolarHBondContact O-N 2.9Å; N369-H373 PolarHBondContact O-ND1 2.89Å
370T76.1Confident70.6Confident0 Ų077 Ų770%038%0.383CS..THydrogen-bonded Turntrans-58.4-31.7-179.8-65.30000113.5E181 Y368 K374 T377 F379E181-T370 WeakPolarHBondContact OE1-CB 3.13Å; E181-T370 PolarHBondContact OE1-N 3.31Å; E181-T370 PolarHBondContact OE1-OG1 2.92Å; Y368-T370 PolarHBondContact OH-OG1 2.69Å; Y368-T370 VanDerWaalsContact OH-OG1 3.09Å; T370-K374 WeakPolarHBondContact O-CA 3.45Å; T370-K374 PolarHBondContact O-N 2.81Å; T370-K374 VanDerWaalsContact O-N 3.1Å; T370-T377 HydrophobicContact CG2-CG2 4.14Å; T370-F379 HydrophobicContact CG2-CE1 3.52Å; T370-F379 HydrophobicContact CG2-CZ 3.95Å
371E71.1Confident72.3Confident131 Ų13171 Ų7161%0.61236%0.356SS*.THydrogen-bonded Turntrans-72.9-45179-64.5-55.3137.800111.8N369N369-E371 PolarHBondContact O-N 2.86Å; N369-E371 PolarHBondContact OD1-N 2.85Å
372E73.3Confident74.4Confident143 Ų14359.8 Ų59.867%0.66831%0.314SS*.THydrogen-bonded Turntrans-71.5-36.4178.2-63.3-17316600111.9N369N369-E372 HydrophobicContact CB-CB 4.3Å; N369-E372 HydrophobicContact CB-CG 4.3Å; N369-E372 PolarHBondContact O-N 3.19Å
373H81.8Confident76.7Confident30 Ų3053.1 Ų53.114%0.13929%0.285CS..THydrogen-bonded Turntrans-99.922.1-176.3-58.690.2000113.4Y368 N369 R375 H376 T377Y368-H373 HydrophobicContact CD2-CB 4.02Å; Y368-H373 HydrophobicContact CE2-CB 3.77Å; N369-H373 PolarHBondContact N-ND1 2.85Å; N369-H373 WeakPolarHBondContact O-CB 3.39Å; N369-H373 PolarHBondContact O-N 2.9Å; N369-H373 PolarHBondContact O-ND1 2.89Å; H373-R375 PolarHBondContact O-N 3.05Å; H373-H376 WeakPolarHBondContact O-CA 2.97Å; H373-H376 PolarHBondContact O-N 2.95Å; H373-T377 PolarHBondContact O-N 3.02Å; H373-T377 PolarHBondContact O-OG1 2.96Å
374K80.3Confident78.8Confident90 Ų9049.7 Ų49.739%0.39125%0.25SS..THydrogen-bonded Turntrans-47.7-30.5-179.8-177.2170-174-179.80114.4K350 T370 H376 T377 F379K350-K374 PolarHBondContact NZ-O 3.17Å; T370-K374 WeakPolarHBondContact O-CA 3.45Å; T370-K374 PolarHBondContact O-N 2.81Å; T370-K374 VanDerWaalsContact O-N 3.1Å; K374-H376 VanDerWaalsContact C-N 3.3Å; K374-H376 PolarHBondContact O-N 3.5Å; K374-T377 PolarHBondContact O-N 3.24Å; K374-F379 HydrophobicContact CB-CZ 4.44Å; K374-F379 HydrophobicContact CD-CE2 4.41Å; K374-F379 HydrophobicContact CD-CZ 4.4Å; K374-F379 HydrophobicContact CG-CE2 3.69Å; K374-F379 HydrophobicContact CG-CZ 3.77Å
375R80.2Confident80.5Confident100 Ų10044.6 Ų44.638%0.37723%0.227SC..THydrogen-bonded Turntrans-70-25.2178.1-173.1174.8179.7-146.40.5113.8K350 T351 H373 P647K350-R375 WeakPolarHBondContact CA-O 3.18Å; K350-R375 WeakPolarHBondContact CD-O 3.48Å; T351-R375 PolarHBondContact N-O 3Å; H373-R375 PolarHBondContact O-N 3.05Å; R375-P647 VanDerWaalsContact NH1-CG 3.26Å
376H87.3Confident81.6Confident25 Ų2543.3 Ų43.312%0.11622%0.219CC..THydrogen-bonded Turntrans-97.1-9.1179.4-53.3-66.9000111.8V328 L329 T351 N352 L353 H373 K374V328-H376 HydrophobicContact CG2-CB 4.23Å; L329-H376 WeakPolarHBondContact CB-O 3.2Å; L329-H376 PolarHBondContact N-O 2.77Å; T351-H376 WeakPolarHBondContact O-CA 3.22Å; T351-H376 PolarHBondContact O-ND1 2.93Å; T351-H376 PolarHBondContact OG1-CE1 3.48Å; T351-H376 PolarHBondContact OG1-ND1 3.44Å; N352-H376 PolarHBondContact O-CE1 3.2Å; N352-H376 VanDerWaalsContact O-CE1 3.29Å; N352-H376 PolarHBondContact O-ND1 3.48Å; L353-H376 HydrophobicContact CB-CB 4.39Å; L353-H376 HydrophobicContact CD1-CB 4.01Å; H373-H376 WeakPolarHBondContact O-CA 2.97Å; H373-H376 PolarHBondContact O-N 2.95Å; K374-H376 VanDerWaalsContact C-N 3.3Å; K374-H376 PolarHBondContact O-N 3.5Å
377T89.8Confident82.4Confident0 Ų040.1 Ų40.10%020%0.197CC..EExtended strand (participates in β ladder)trans-103.1130.6-177-43.90000111.6A327 K350 Y368 T370 H373 K374 F379A327-T377 CarbonylContact O-C 3.54Å; A327-T377 WeakPolarHBondContact O-CA 3.3Å; K350-T377 PolarHBondContact NZ-O 3.32Å; Y368-T377 WeakPolarHBondContact OH-CG2 3.16Å; Y368-T377 PolarHBondContact OH-OG1 3.29Å; T370-T377 HydrophobicContact CG2-CG2 4.14Å; H373-T377 PolarHBondContact O-N 3.02Å; H373-T377 PolarHBondContact O-OG1 2.96Å; K374-T377 PolarHBondContact O-N 3.24Å; T377-F379 HydrophobicContact CG2-CE1 4.3Å; T377-F379 HydrophobicContact CG2-CZ 4.33Å
378L91.4Very high82.5Confident0 Ų041.3 Ų41.30%019%0.192CC..EExtended strand (participates in β ladder)trans-93.3125.9168.2-58178.7000108.2I316 M323 D326 A327 L329 C334 V336 K350 A397I316-L378 HydrophobicContact CD1-CD1 4.25Å; I316-L378 HydrophobicContact CG1-CD1 4.2Å; M323-L378 HydrophobicContact CE-CB 3.77Å; M323-L378 HydrophobicContact CE-CD1 3.92Å; M323-L378 HydrophobicContact CG-CB 4.12Å; M323-L378 HydrophobicContact SD-CB 4.19Å; M323-L378 HydrophobicContact SD-CD1 3.89Å; D326-L378 CarbonylContact C-O 3.59Å; D326-L378 VanDerWaalsContact CA-O 3.31Å; D326-L378 WeakPolarHBondContact CA-O 3.19Å; A327-L378 PolarHBondContact N-O 3.29Å; A327-L378 PolarHBondContact O-N 3.13Å; L329-L378 HydrophobicContact CD1-CD1 4.3Å; C334-L378 HydrophobicContact CB-CD2 4.12Å; V336-L378 HydrophobicContact CG2-CD2 3.59Å; K350-L378 HydrophobicContact CB-CD2 4.04Å; K350-L378 HydrophobicContact CG-CD2 3.88Å; L378-A397 HydrophobicContact CD1-CB 4.28Å
379F89.7Confident82Confident13 Ų1345 Ų456%0.05721%0.208CC..PPolyproline II helixtrans-100.4151.5-174.7-63.5-85.6000113.5M323 D326 E338 L341 T370 K374 T377 G381 T382 A407M323-F379 WeakPolarHBondContact CB-O 3.47Å; D326-F379 WeakPolarHBondContact OD1-CA 3.19Å; E338-F379 WeakPolarHBondContact OE1-CD2 3.45Å; L341-F379 HydrophobicContact CD1-CB 3.09Å; L341-F379 HydrophobicContact CD1-CD1 4.44Å; L341-F379 HydrophobicContact CD1-CD2 4.41Å; L341-F379 HydrophobicContact CD1-CG 3.79Å; T370-F379 HydrophobicContact CG2-CE1 3.52Å; T370-F379 HydrophobicContact CG2-CZ 3.95Å; K374-F379 HydrophobicContact CB-CZ 4.44Å; K374-F379 HydrophobicContact CD-CE2 4.41Å; K374-F379 HydrophobicContact CD-CZ 4.4Å; K374-F379 HydrophobicContact CG-CE2 3.69Å; K374-F379 HydrophobicContact CG-CZ 3.77Å; T377-F379 HydrophobicContact CG2-CE1 4.3Å; T377-F379 HydrophobicContact CG2-CZ 4.33Å; F379-G381 PolarHBondContact O-N 2.99Å; F379-T382 HydrophobicContact CB-CG2 3.92Å; F379-T382 PolarHBondContact O-N 2.94Å; F379-T382 PolarHBondContact O-OG1 2.97Å; F379-A407 HydrophobicContact CD1-CB 4.01Å
380C87.3Confident80.9Confident6 Ų648.2 Ų48.24%0.04122%0.216CC..THydrogen-bonded Turntrans-57.5127.1176.1-175.20000111.4M323 P324 C325 D326 T406 K408M323-C380 CarbonylContact O-C 3.39Å; M323-C380 WeakPolarHBondContact O-CA 3.34Å; P324-C380 VanDerWaalsContact C-SG 3.6Å; P324-C380 PolarHBondContact O-SG 3.4Å; C325-C380 PolarHBondContact O-N 2.68Å; D326-C380 WeakPolarHBondContact OD1-CB 3.44Å; D326-C380 PolarHBondContact OD1-N 2.91Å; C380-T406 HydrophobicContact CB-CG2 3.96Å; C380-K408 HydrophobicContact CB-CB 4.17Å; C380-K408 WeakPolarHBondContact O-CB 3.32Å
381G81.8Confident79.8Confident6 Ų653.1 Ų53.16%0.06225%0.246CC..THydrogen-bonded Turntrans92.4-13.4-179.800000115.2M323 M340 F379M323-G381 PolarHBondContact O-N 2.9Å; M340-G381 WeakPolarHBondContact SD-CA 3.46Å; F379-G381 PolarHBondContact O-N 2.99Å
382T85.9Confident79.2Confident0 Ų050.2 Ų50.20%025%0.251CS..  trans-72.4147.6175.3680000110.6M323 V336 N337 E338 L341 F379M323-T382 PolarHBondContact N-O 2.98Å; V336-T382 VanDerWaalsContact CG1-CB 3.49Å; V336-T382 HydrophobicContact CG1-CG2 4.43Å; V336-T382 VanDerWaalsContact CG1-OG1 3.32Å; V336-T382 WeakPolarHBondContact CG1-OG1 3.36Å; N337-T382 WeakPolarHBondContact O-CB 3.49Å; E338-T382 HydrophobicContact CB-CG2 4.12Å; E338-T382 HydrophobicContact CG-CG2 3.97Å; L341-T382 HydrophobicContact CD1-CG2 3.61Å; L341-T382 HydrophobicContact CG-CG2 4.3Å; F379-T382 HydrophobicContact CB-CG2 3.92Å; F379-T382 PolarHBondContact O-N 2.94Å; F379-T382 PolarHBondContact O-OG1 2.97Å
383N86.6Confident79Confident69 Ų6949 Ų4937%0.36925%0.245SC..EExtended strand (participates in β ladder)trans-97.7112.8179.4-172.324.4000109.5V336 N337 I385V336-N383 CarbonylContact C-O 3.57Å; V336-N383 WeakPolarHBondContact CA-O 3.33Å; N337-N383 HydrophobicContact CB-CB 4.38Å; N337-N383 PolarHBondContact N-O 3.06Å; N337-N383 PolarHBondContact O-N 3.07Å; N383-I385 PolarHBondContact O-N 3.24Å
384V88.5Confident79Confident0 Ų051.8 Ų51.80%026%0.261CS..EExtended strand (participates in β ladder)trans-71.6116.1168-174.60000107.1I316 G320 T321 M323 C334 V336 T387I316-V384 HydrophobicContact CG2-CB 4.31Å; I316-V384 HydrophobicContact CG2-CG1 3.91Å; I316-V384 HydrophobicContact CG2-CG2 4.18Å; G320-V384 CarbonylContact C-O 3.5Å; G320-V384 WeakPolarHBondContact CA-O 3.19Å; T321-V384 HydrophobicContact CG2-CB 4.45Å; T321-V384 HydrophobicContact CG2-CG2 4.36Å; T321-V384 PolarHBondContact N-O 3.24Å; T321-V384 WeakPolarHBondContact O-CB 3.37Å; T321-V384 PolarHBondContact O-N 3.36Å; M323-V384 HydrophobicContact CG-CG2 3.77Å; M323-V384 HydrophobicContact SD-CG2 3.69Å; C334-V384 HydrophobicContact CB-CG1 4.17Å; V336-V384 HydrophobicContact CG2-CG2 4.3Å; V384-T387 HydrophobicContact CG1-CG2 3.96Å
385I84.9Confident79.3Confident51 Ų5147.6 Ų47.626%0.26224%0.243SC..EExtended strand (participates in β ladder)trans-80.8-50.4-179.6-54.1177000109.6I335 N337 P347 N383 I570I335-I385 HydrophobicContact CG2-CD1 4.32Å; I335-I385 PolarHBondContact O-N 3.42Å; N337-I385 HydrophobicContact CB-CD1 4.15Å; N337-I385 HydrophobicContact CB-CG1 4.33Å; P347-I385 HydrophobicContact CB-CD1 4Å; P347-I385 HydrophobicContact CG-CD1 4.01Å; N383-I385 PolarHBondContact O-N 3.24Å; I385-I570 HydrophobicContact CD1-CD1 4.07Å; I385-I570 HydrophobicContact CG2-CG2 3.98Å
386Q81.1Confident79.8Confident47 Ų4745 Ų4522%0.2224%0.235CC..EExtended strand (participates in β ladder)trans-148.7147.1-175.6-168.1-178.61300110.2I335 E596I335-Q386 PolarHBondContact N-O 3.24Å; I335-Q386 PolarHBondContact O-N 3.28Å; Q386-E596 PolarHBondContact NE2-OE1 3.27Å
387T81.9Confident80Confident5 Ų543.9 Ų43.93%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-109.6147.3169.5680000110.9I316 P317 S318 T333 V384 V395I316-T387 HydrophobicContact CB-CG2 4.02Å; I316-T387 HydrophobicContact CG2-CG2 3.47Å; I316-T387 VanDerWaalsContact CG2-CG2 3.47Å; P317-T387 WeakPolarHBondContact O-CG2 3.48Å; S318-T387 WeakPolarHBondContact CA-OG1 3.42Å; T333-T387 WeakPolarHBondContact O-CA 3.24Å; V384-T387 HydrophobicContact CG1-CG2 3.96Å; T387-V395 HydrophobicContact CG2-CG1 4.37Å
388R75.9Confident80.1Confident74 Ų7443.9 Ų43.928%0.27923%0.229SC..EExtended strand (participates in β ladder)trans-124131174.9-59.8175178.3-167.8-4.5108.2T333 E593T333-R388 PolarHBondContact N-O 2.94Å; T333-R388 PolarHBondContact O-N 3.15Å; T333-R388 WeakPolarHBondContact OG1-CB 3.43Å; R388-E593 IonicContact CZ-OE1 3.92Å; R388-E593 IonicContact CZ-OE2 3.97Å; R388-E593 IonicContact NH1-OE1 2.83Å; R388-E593 PolarHBondContact NH1-OE1 3.31Å; R388-E593 VanDerWaalsContact NH2-CD 3.26Å; R388-E593 IonicContact NH2-OE1 3.45Å; R388-E593 PolarHBondContact NH2-OE1 2.89Å; R388-E593 IonicContact NH2-OE2 3.05Å; R388-E593 PolarHBondContact NH2-OE2 3.33Å
389F68.1Low80.1Confident89 Ų8943.9 Ų43.939%0.3923%0.229SC..  trans-139.6159.8-177.161-88.5000112.4E393 V395F389-E393 VanDerWaalsContact CB-O 3.31Å; F389-E393 WeakPolarHBondContact CB-O 3.36Å; F389-E393 WeakPolarHBondContact CD2-O 3.44Å; F389-E393 WeakPolarHBondContact CG-O 3.08Å; F389-V395 HydrophobicContact CB-CG2 3.73Å; F389-V395 HydrophobicContact CD1-CG2 4.29Å; F389-V395 HydrophobicContact CG-CG2 4.41Å
390Y57Low80.1Confident133 Ų13343.3 Ų43.352%0.52223%0.227SC..SBendtrans-89.9130.8176.8-61.3-83.6000109G392 E393 I605Y390-G392 PolarHBondContact O-N 3.4Å; Y390-E393 WeakPolarHBondContact O-CB 3.5Å; Y390-E393 PolarHBondContact O-N 2.67Å; Y390-E393 VanDerWaalsContact O-N 3.09Å; Y390-I605 HydrophobicContact CD1-CD1 4.23Å; Y390-I605 HydrophobicContact CD1-CG1 4.1Å; Y390-I605 HydrophobicContact CE1-CD1 3.48Å; Y390-I605 VanDerWaalsContact CE1-CD1 3.48Å; Y390-I605 HydrophobicContact CE1-CG1 3.76Å
391T52.2Low80.2Confident103 Ų10344.6 Ų44.663%0.63223%0.231SC*.THydrogen-bonded Turntrans39.569.4161.2540000115.6E393T391-E393 PolarHBondContact O-N 3.04Å
392G57.5Low80.7Confident70 Ų7044.6 Ų44.672%0.72223%0.23SC*.THydrogen-bonded Turntrans663.917200000116.5Y390Y390-G392 PolarHBondContact O-N 3.4Å
393E70.3Confident80.7Confident117 Ų11744.9 Ų44.955%0.54723%0.232SC..  trans-79.7140176.8-67.4-168.1158.500112.3F389 Y390 T391F389-E393 VanDerWaalsContact CB-O 3.31Å; F389-E393 WeakPolarHBondContact CB-O 3.36Å; F389-E393 WeakPolarHBondContact CD2-O 3.44Å; F389-E393 WeakPolarHBondContact CG-O 3.08Å; Y390-E393 WeakPolarHBondContact O-CB 3.5Å; Y390-E393 PolarHBondContact O-N 2.67Å; Y390-E393 VanDerWaalsContact O-N 3.09Å; T391-E393 PolarHBondContact O-N 3.04Å
394L81.5Confident80.7Confident89 Ų8942.9 Ų42.947%0.46622%0.221SC..  trans-74.4140.8175.8-62.5173.9000111V300 V315 S331 K396V300-L394 HydrophobicContact CG2-CD1 4.1Å; V315-L394 HydrophobicContact CG1-CB 4.02Å; V315-L394 HydrophobicContact CG1-CD1 4.27Å; V315-L394 HydrophobicContact CG1-CD2 4.2Å; V315-L394 HydrophobicContact CG1-CG 4.39Å; V315-L394 HydrophobicContact CG2-CD1 4.43Å; S331-L394 PolarHBondContact OG-O 3.41Å; L394-K396 PolarHBondContact O-N 3.31Å
395V87.3Confident80.6Confident3 Ų344.2 Ų44.22%0.01823%0.23CC..  trans-77.5113.7171.7179.60000109.2V315 I316 L329 S331 T387 F389V315-V395 WeakPolarHBondContact CA-O 3.34Å; I316-V395 HydrophobicContact CB-CB 4.47Å; I316-V395 HydrophobicContact CB-CG1 4.16Å; I316-V395 HydrophobicContact CG1-CG1 4.37Å; I316-V395 PolarHBondContact N-O 3Å; L329-V395 HydrophobicContact CD1-CG1 3.72Å; S331-V395 WeakPolarHBondContact O-CG1 3.38Å; T387-V395 HydrophobicContact CG2-CG1 4.37Å; F389-V395 HydrophobicContact CB-CG2 3.73Å; F389-V395 HydrophobicContact CD1-CG2 4.29Å; F389-V395 HydrophobicContact CG-CG2 4.41Å
396K89.4Confident80.7Confident46 Ų4641.8 Ų41.820%0.222%0.217CC..EExtended strand (participates in β ladder)trans-113.9140.7-174.5-61.7-176.9-175.8-173.70111.5V313 V314 I330 S331 L394V313-K396 HydrophobicContact CG1-CB 3.94Å; V313-K396 HydrophobicContact CG1-CD 4.17Å; V313-K396 HydrophobicContact CG1-CG 4.3Å; V314-K396 WeakPolarHBondContact O-CA 3.26Å; I330-K396 HydrophobicContact CD1-CB 3.75Å; I330-K396 HydrophobicContact CD1-CD 4.47Å; I330-K396 HydrophobicContact CG1-CB 3.67Å; I330-K396 WeakPolarHBondContact CG1-O 3.46Å; I330-K396 PolarHBondContact N-O 3.33Å; S331-K396 PolarHBondContact N-O 3.44Å; S331-K396 PolarHBondContact O-N 3.19Å; S331-K396 PolarHBondContact OG-N 3.44Å; L394-K396 PolarHBondContact O-N 3.31Å
397A91.6Very high80.7Confident0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-134.6141.6172.900000111.7V313 V314 A327 V328 L329 L378V313-A397 CarbonylContact C-O 3.5Å; V313-A397 WeakPolarHBondContact CA-O 3.19Å; V314-A397 HydrophobicContact CG2-CB 3.98Å; V314-A397 WeakPolarHBondContact CG2-O 3.37Å; V314-A397 PolarHBondContact N-O 2.94Å; V314-A397 PolarHBondContact O-N 2.86Å; A327-A397 HydrophobicContact CB-CB 4.02Å; V328-A397 CarbonylContact O-C 3.58Å; V328-A397 WeakPolarHBondContact O-CA 3.42Å; V328-A397 WeakPolarHBondContact O-CB 3.21Å; L329-A397 HydrophobicContact CD1-CB 4.2Å; L378-A397 HydrophobicContact CD1-CB 4.28Å
398V91.9Very high80.6Confident0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-94.9128.1178.9179.50000109.5L180 I190 H194 D312 V313 A327 V328 I330 V400L180-V398 HydrophobicContact CD2-CG1 4.45Å; I190-V398 HydrophobicContact CG2-CG2 4.4Å; H194-V398 HydrophobicContact CB-CG1 4.22Å; H194-V398 HydrophobicContact CB-CG2 4.44Å; D312-V398 CarbonylContact O-C 3.6Å; D312-V398 WeakPolarHBondContact O-CA 3.41Å; V313-V398 HydrophobicContact CG2-CG2 4.02Å; A327-V398 CarbonylContact C-O 3.54Å; A327-V398 WeakPolarHBondContact CA-O 3.23Å; A327-V398 WeakPolarHBondContact CB-O 3.48Å; V328-V398 HydrophobicContact CG1-CB 3.9Å; V328-V398 PolarHBondContact N-O 3.47Å; V328-V398 PolarHBondContact O-N 2.98Å; I330-V398 HydrophobicContact CD1-CG2 4.08Å; I330-V398 HydrophobicContact CG1-CG2 4.44Å; I330-V398 HydrophobicContact CG2-CG2 3.72Å; V398-V400 PolarHBondContact O-N 3.49Å
399V91.7Very high80.8Confident0 Ų037.7 Ų37.70%021%0.206CC..EExtended strand (participates in β ladder)trans-67.7125.7177.9-179.70000110.5P310 G311 D312 V314 C325 T402P310-V399 CarbonylContact C-O 3.55Å; P310-V399 WeakPolarHBondContact CA-O 3.25Å; G311-V399 PolarHBondContact N-O 3.07Å; D312-V399 HydrophobicContact CB-CG2 4.09Å; D312-V399 WeakPolarHBondContact O-CG2 3.42Å; D312-V399 PolarHBondContact O-N 2.89Å; V314-V399 HydrophobicContact CG1-CG2 3.95Å; C325-V399 HydrophobicContact CB-CG1 4.12Å; V399-T402 HydrophobicContact CG1-CG2 3.57Å
400V89.9Confident81.3Confident1 Ų137.2 Ų37.21%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-102.3-52.3-179.9-175.60000111.2G179 L180 E181 D326 V328 Y368 V398G179-V400 WeakPolarHBondContact CA-O 2.9Å; L180-V400 HydrophobicContact CB-CG1 4.24Å; L180-V400 PolarHBondContact N-O 3.46Å; L180-V400 VanDerWaalsContact N-O 3.15Å; E181-V400 HydrophobicContact CG-CG1 3.88Å; D326-V400 PolarHBondContact O-N 3.14Å; V328-V400 HydrophobicContact CB-CG2 4.05Å; V328-V400 HydrophobicContact CG1-CG2 3.9Å; Y368-V400 HydrophobicContact CE1-CG1 3.89Å; Y368-V400 HydrophobicContact CE1-CG2 4.11Å; V398-V400 PolarHBondContact O-N 3.49Å
401R90.1Very high82.2Confident33 Ų3332.9 Ų32.913%0.12519%0.191CC..EExtended strand (participates in β ladder)trans-130.1148.2-178-55.9179.1176.5167.2-5.3110.8E181 C325 D326 S405 T406E181-R401 IonicContact OE1-CZ 2.72Å; E181-R401 IonicContact OE1-NE 2.93Å; E181-R401 IonicContact OE1-NH2 2.8Å; E181-R401 PolarHBondContact OE1-NH2 2.91Å; E181-R401 IonicContact OE2-CZ 3.73Å; E181-R401 IonicContact OE2-NE 3.98Å; E181-R401 PolarHBondContact OE2-NE 2.76Å; E181-R401 IonicContact OE2-NH2 3.86Å; E181-R401 PolarHBondContact OE2-NH2 3.18Å; C325-R401 WeakPolarHBondContact CB-O 3.42Å; D326-R401 HydrophobicContact CB-CB 4.11Å; D326-R401 PolarHBondContact N-O 3.26Å; D326-R401 VanDerWaalsContact N-O 3.16Å; D326-R401 PolarHBondContact O-N 2.92Å; R401-S405 WeakPolarHBondContact CD-O 3.16Å; R401-T406 HydrophobicContact CB-CG2 4.28Å; R401-T406 WeakPolarHBondContact O-CG2 3.45Å
402T90.5Very high83.3Confident7 Ų728.3 Ų28.34%0.04316%0.163CC..  trans-134.5153.3-178.255.50000111.9N213 P310 C325 V399 S405N213-T402 HydrophobicContact CB-CG2 4.19Å; N213-T402 WeakPolarHBondContact OD1-CA 3.32Å; N213-T402 WeakPolarHBondContact OD1-CB 3.36Å; P310-T402 HydrophobicContact CG-CG2 4.38Å; C325-T402 HydrophobicContact CB-CG2 4.33Å; V399-T402 HydrophobicContact CG1-CG2 3.57Å; T402-S405 PolarHBondContact O-N 3.09Å
403G87.8Confident84.3Confident5 Ų527.2 Ų27.25%0.05214%0.137CC..G310 helixtrans61.1-135.8174.300000114N213 S405 T406N213-G403 PolarHBondContact OD1-N 3.43Å; G403-S405 PolarHBondContact O-N 3.01Å; G403-T406 PolarHBondContact O-N 3.29Å; G403-T406 PolarHBondContact O-OG1 2.76Å
404F84.9Confident84.3Confident28 Ų2822.4 Ų22.412%0.12312%0.116CC..G310 helixtrans-65.8-13.1180-78.1-78.4000114.5I215 G409 Q410 R413 L416I215-F404 HydrophobicContact CG2-CD1 4.14Å; I215-F404 HydrophobicContact CG2-CE1 3.69Å; I215-F404 HydrophobicContact CG2-CE2 4.49Å; I215-F404 HydrophobicContact CG2-CZ 3.89Å; F404-G409 CarbonylContact O-C 3.59Å; F404-Q410 PolarHBondContact O-N 2.88Å; F404-R413 HydrophobicContact CD1-CB 4.12Å; F404-L416 HydrophobicContact CE1-CD1 4.26Å
405S86.6Confident83.8Confident27 Ų2720 Ų2019%0.18910%0.103CC..G310 helixtrans-80.9-19.5176.1-57.60000112.9R401 T402 G403 Q410R401-S405 WeakPolarHBondContact CD-O 3.16Å; T402-S405 PolarHBondContact O-N 3.09Å; G403-S405 PolarHBondContact O-N 3.01Å; S405-Q410 PolarHBondContact O-NE2 3.17Å
406T87.1Confident83Confident0 Ų021.3 Ų21.30%011%0.11CC..SBendtrans-64.2160.5176.561.30000112.2D326 C380 R401 G403 K408 G409 Q410D326-T406 WeakPolarHBondContact OD2-CA 3.35Å; D326-T406 WeakPolarHBondContact OD2-CB 3.34Å; C380-T406 HydrophobicContact CB-CG2 3.96Å; R401-T406 HydrophobicContact CB-CG2 4.28Å; R401-T406 WeakPolarHBondContact O-CG2 3.45Å; G403-T406 PolarHBondContact O-N 3.29Å; G403-T406 PolarHBondContact O-OG1 2.76Å; T406-K408 VanDerWaalsContact C-N 3.32Å; T406-K408 PolarHBondContact O-N 3.02Å; T406-G409 PolarHBondContact O-N 3.39Å; T406-G409 PolarHBondContact OG1-N 3.38Å; T406-Q410 WeakPolarHBondContact O-CG 3.29Å; T406-Q410 PolarHBondContact O-N 3.4Å
407A81.6Confident82.2Confident30 Ų3023.3 Ų23.325%0.24812%0.117CC..Hα-helixtrans-52.5-48.5175.300000112.3D326 L341 F379 Q410 L411D326-A407 PolarHBondContact OD2-N 3.27Å; L341-A407 HydrophobicContact CD2-CB 4.38Å; F379-A407 HydrophobicContact CD1-CB 4.01Å; A407-Q410 PolarHBondContact O-N 3.16Å; A407-L411 PolarHBondContact O-N 3.01Å
408K80Confident80.9Confident11 Ų1127.2 Ų27.25%0.04814%0.142CC..Hα-helixtrans-60.5-44.8174.1-179.8179.4172.7169.30112.4I215 H286 M340 L341 C380 T406 Q410 L411 V412I215-K408 HydrophobicContact CD1-CB 4.37Å; I215-K408 HydrophobicContact CD1-CD 4.1Å; I215-K408 HydrophobicContact CD1-CG 3.97Å; H286-K408 VanDerWaalsContact CB-NZ 3.3Å; M340-K408 HydrophobicContact CE-CD 3.54Å; M340-K408 HydrophobicContact CE-CG 4.17Å; M340-K408 HydrophobicContact SD-CD 4.36Å; L341-K408 HydrophobicContact CD2-CB 4.12Å; C380-K408 HydrophobicContact CB-CB 4.17Å; C380-K408 WeakPolarHBondContact O-CB 3.32Å; T406-K408 VanDerWaalsContact C-N 3.32Å; T406-K408 PolarHBondContact O-N 3.02Å; K408-Q410 PolarHBondContact O-N 3.06Å; K408-L411 WeakPolarHBondContact O-CB 3.37Å; K408-L411 PolarHBondContact O-N 3.17Å; K408-V412 WeakPolarHBondContact O-CG2 3.2Å; K408-V412 PolarHBondContact O-N 3.11Å
409G80.9Confident79.6Confident0 Ų030.2 Ų30.20%016%0.155CC..Hα-helixtrans-61.8-41.8-179.600000113.4F404 T406 L411 V412 R413F404-G409 CarbonylContact O-C 3.59Å; T406-G409 PolarHBondContact O-N 3.39Å; T406-G409 PolarHBondContact OG1-N 3.38Å; G409-L411 VanDerWaalsContact C-N 3.34Å; G409-V412 PolarHBondContact O-N 2.82Å; G409-R413 WeakPolarHBondContact O-CB 3.47Å; G409-R413 PolarHBondContact O-N 2.83Å
410Q78.3Confident78.2Confident79 Ų7932 Ų3237%0.36917%0.167SC..Hα-helixtrans-64.4-39.9175.6-67.5178.113.200111.5F404 S405 T406 A407 K408 R413 S414F404-Q410 PolarHBondContact O-N 2.88Å; S405-Q410 PolarHBondContact O-NE2 3.17Å; T406-Q410 WeakPolarHBondContact O-CG 3.29Å; T406-Q410 PolarHBondContact O-N 3.4Å; A407-Q410 PolarHBondContact O-N 3.16Å; K408-Q410 PolarHBondContact O-N 3.06Å; Q410-R413 WeakPolarHBondContact O-CB 3.36Å; Q410-R413 PolarHBondContact O-N 2.95Å; Q410-S414 PolarHBondContact O-N 3.05Å
411L74.5Confident76.7Confident41 Ų4134.3 Ų34.322%0.21518%0.181CC..Hα-helixtrans-59-53.6174.5-126.9167.8000111A407 K408 G409 R413 S414 I415 A925A407-L411 PolarHBondContact O-N 3.01Å; K408-L411 WeakPolarHBondContact O-CB 3.37Å; K408-L411 PolarHBondContact O-N 3.17Å; G409-L411 VanDerWaalsContact C-N 3.34Å; L411-R413 VanDerWaalsContact C-N 3.35Å; L411-R413 PolarHBondContact O-N 3.3Å; L411-S414 PolarHBondContact O-N 3.23Å; L411-S414 VanDerWaalsContact O-N 3.17Å; L411-S414 PolarHBondContact O-OG 3.18Å; L411-I415 HydrophobicContact CD2-CD1 4.22Å; L411-I415 PolarHBondContact O-N 3.45Å; L411-A925 HydrophobicContact CD2-CB 3.98Å
412V76.9Confident75Confident8 Ų835.6 Ų35.65%0.04819%0.19CC..Hα-helixtrans-60.2-41.2177.3175.10000111.9I215 V217 V283 K408 G409 S414 I415 L416I215-V412 HydrophobicContact CG2-CB 4.11Å; I215-V412 HydrophobicContact CG2-CG1 3.88Å; I215-V412 HydrophobicContact CG2-CG2 4.41Å; V217-V412 HydrophobicContact CG2-CG1 4.12Å; V283-V412 HydrophobicContact CG2-CG1 3.96Å; V283-V412 HydrophobicContact CG2-CG2 4.01Å; K408-V412 WeakPolarHBondContact O-CG2 3.2Å; K408-V412 PolarHBondContact O-N 3.11Å; G409-V412 PolarHBondContact O-N 2.82Å; V412-S414 VanDerWaalsContact C-N 3.29Å; V412-S414 PolarHBondContact O-N 2.86Å; V412-I415 PolarHBondContact O-N 2.93Å; V412-L416 HydrophobicContact CG1-CD1 4.15Å; V412-L416 HydrophobicContact CG1-CG 4.48Å; V412-L416 WeakPolarHBondContact O-CG 3.48Å; V412-L416 PolarHBondContact O-N 2.87Å
413R78.4Confident73.7Confident46 Ų4636.4 Ų36.417%0.17419%0.193CC..Hα-helixtrans-57-45.1176.1-174.8-179.372.9-172.50.2111.3H161 T163 F404 G409 Q410 L411 I415 L416 Y417H161-R413 WeakPolarHBondContact O-CD 3.47Å; H161-R413 WeakPolarHBondContact O-CG 3.12Å; T163-R413 WeakPolarHBondContact OG1-CD 3.36Å; T163-R413 PolarHBondContact OG1-NH1 3Å; F404-R413 HydrophobicContact CD1-CB 4.12Å; G409-R413 WeakPolarHBondContact O-CB 3.47Å; G409-R413 PolarHBondContact O-N 2.83Å; Q410-R413 WeakPolarHBondContact O-CB 3.36Å; Q410-R413 PolarHBondContact O-N 2.95Å; L411-R413 VanDerWaalsContact C-N 3.35Å; L411-R413 PolarHBondContact O-N 3.3Å; R413-I415 PolarHBondContact O-N 2.82Å; R413-L416 PolarHBondContact O-N 2.96Å; R413-Y417 HydrophobicContact CG-CD2 4.12Å; R413-Y417 WeakPolarHBondContact O-CD2 3.19Å; R413-Y417 PolarHBondContact O-N 3.43Å
414S69.1Low72.6Confident17 Ų1740.4 Ų40.412%0.11921%0.209CC..Hα-helixtrans-68-23.2-178.480.60000113.8Q410 L411 V412 Y417 P418 K909Q410-S414 PolarHBondContact O-N 3.05Å; L411-S414 PolarHBondContact O-N 3.23Å; L411-S414 VanDerWaalsContact O-N 3.17Å; L411-S414 PolarHBondContact O-OG 3.18Å; V412-S414 VanDerWaalsContact C-N 3.29Å; V412-S414 PolarHBondContact O-N 2.86Å; S414-Y417 CarbonylContact O-C 3.58Å; S414-P418 WeakPolarHBondContact O-CA 2.89Å; S414-K909 WeakPolarHBondContact OG-CE 3.4Å; S414-K909 PolarHBondContact OG-NZ 2.77Å
415I70.8Confident72Confident38 Ų3839.1 Ų39.120%0.19520%0.204CC..Hα-helixtrans-80-38.1174.2-65.6158.5000111.2L279 L411 V412 R413 Y417 V924L279-I415 HydrophobicContact CD1-CG2 4.25Å; L279-I415 HydrophobicContact CD2-CG2 4.45Å; L411-I415 HydrophobicContact CD2-CD1 4.22Å; L411-I415 PolarHBondContact O-N 3.45Å; V412-I415 PolarHBondContact O-N 2.93Å; R413-I415 PolarHBondContact O-N 2.82Å; I415-Y417 VanDerWaalsContact C-N 3.33Å; I415-V924 HydrophobicContact CD1-CB 4.38Å; I415-V924 HydrophobicContact CD1-CG1 3.25Å; I415-V924 WeakPolarHBondContact CD1-O 3.29Å
416L71.4Confident71.1Confident31 Ų3141 Ų4116%0.16221%0.207CC..Hα-helixtrans-68.3-33.7176.1-70.7170.6000112.6V217 L279 F404 V412 R413 P418V217-L416 HydrophobicContact CG1-CD2 3.77Å; V217-L416 HydrophobicContact CG2-CD1 4.26Å; L279-L416 HydrophobicContact CD2-CD2 3.39Å; L279-L416 HydrophobicContact CD2-CG 4.25Å; F404-L416 HydrophobicContact CE1-CD1 4.26Å; V412-L416 HydrophobicContact CG1-CD1 4.15Å; V412-L416 HydrophobicContact CG1-CG 4.48Å; V412-L416 WeakPolarHBondContact O-CG 3.48Å; V412-L416 PolarHBondContact O-N 2.87Å; R413-L416 PolarHBondContact O-N 2.96Å; L416-P418 VanDerWaalsContact C-CD 3.47Å; L416-P418 WeakPolarHBondContact O-CD 3.44Å
417Y72.8Confident70.5Confident88 Ų8847.1 Ų47.135%0.34523%0.23SC..SBendtrans-126.166.2-176-54.8-69.8000110.9H161 R413 S414 I415H161-Y417 HydrophobicContact CB-CD2 3.64Å; H161-Y417 HydrophobicContact CB-CE2 3.94Å; H161-Y417 HydrophobicContact CB-CG 3.97Å; H161-Y417 AromaticContact CD2-CD1 3.56Å; H161-Y417 AromaticContact CD2-CE1 3.94Å; H161-Y417 AromaticContact CD2-CG 3.74Å; H161-Y417 AromaticContact CG-CD1 3.98Å; H161-Y417 AromaticContact CG-CD2 3.87Å; H161-Y417 AromaticContact CG-CG 3.64Å; H161-Y417 AromaticContact ND1-CG 3.95Å; H161-Y417 AromaticContact NE2-CD1 3.85Å; R413-Y417 HydrophobicContact CG-CD2 4.12Å; R413-Y417 WeakPolarHBondContact O-CD2 3.19Å; R413-Y417 PolarHBondContact O-N 3.43Å; S414-Y417 CarbonylContact O-C 3.58Å; I415-Y417 VanDerWaalsContact C-N 3.33Å
418P64.3Low70.3Confident81 Ų8146.6 Ų46.653%0.52622%0.223SC..PPolyproline II helixtrans-68.3144.6-17729.3-34.7000111S414 L416S414-P418 WeakPolarHBondContact O-CA 2.89Å; L416-P418 VanDerWaalsContact C-CD 3.47Å; L416-P418 WeakPolarHBondContact O-CD 3.44Å
419K64.8Low70.1Confident64 Ų6446.6 Ų46.628%0.27823%0.225SC..PPolyproline II helixtrans-59.2135169.9-71.4-166.1176.1-162.40110E14 D76E14-K419 WeakPolarHBondContact O-CE 3.21Å; E14-K419 PolarHBondContact O-NZ 2.69Å; D76-K419 IonicContact OD1-NZ 2.77Å; D76-K419 PolarHBondContact OD1-NZ 3.03Å
420P62Low69.9Low37 Ų3752.1 Ų52.124%0.2425%0.247CC..PPolyproline II helixtrans-63.7137.6176.925.8-32.1000110.9F78F78-P420 HydrophobicContact CD2-CB 4.26Å; F78-P420 HydrophobicContact CD2-CG 3.62Å; F78-P420 HydrophobicContact CE2-CB 4.17Å; F78-P420 HydrophobicContact CE2-CG 3.88Å; F78-P420 WeakPolarHBondContact CE2-O 3.47Å; F78-P420 HydrophobicContact CG-CG 4.14Å; F78-P420 HydrophobicContact CZ-CB 4.42Å; F78-P420 WeakPolarHBondContact CZ-O 3.41Å
421T58.8Low70.1Confident50 Ų5053.1 Ų53.131%0.30725%0.254SS..PPolyproline II helixtrans-98.6134.4174.552.20000110F423T421-F423 VanDerWaalsContact C-N 3.3Å; T421-F423 PolarHBondContact O-N 3.21Å
422D54.1Low70.3Confident59 Ų5952.3 Ų52.332%0.31625%0.249SC..  trans-79.878.3-172.9-166.722.9000109.9F78 K424 R427F78-D422 HydrophobicContact CE1-CB 3.55Å; F78-D422 VanDerWaalsContact CZ-CA 3.46Å; F78-D422 HydrophobicContact CZ-CB 3.42Å; F78-D422 VanDerWaalsContact CZ-CB 3.42Å; F78-D422 VanDerWaalsContact CZ-N 3.34Å; D422-K424 PolarHBondContact O-N 3.33Å; D422-R427 IonicContact OD1-NH1 2.85Å; D422-R427 PolarHBondContact OD1-NH1 3.42Å; D422-R427 VanDerWaalsContact OD1-NH1 3.13Å; D422-R427 IonicContact OD2-NH1 3.82Å; D422-R427 PolarHBondContact OD2-NH1 3.12Å
423F62.9Low70.3Confident24 Ų2453.4 Ų53.411%0.10526%0.255CS..  trans-91.8102.8174.5-159.6-124000111.2T421 L425 Y426 N506 I507 L949T421-F423 VanDerWaalsContact C-N 3.3Å; T421-F423 PolarHBondContact O-N 3.21Å; F423-L425 HydrophobicContact CD1-CB 3.41Å; F423-L425 VanDerWaalsContact CD1-CB 3.41Å; F423-L425 HydrophobicContact CD1-CD2 4.27Å; F423-L425 HydrophobicContact CD1-CG 4.44Å; F423-L425 HydrophobicContact CE1-CB 3.19Å; F423-L425 HydrophobicContact CE1-CD2 3.64Å; F423-L425 HydrophobicContact CE1-CG 3.96Å; F423-L425 HydrophobicContact CG-CB 4.35Å; F423-L425 HydrophobicContact CZ-CB 3.97Å; F423-L425 PolarHBondContact O-N 3.42Å; F423-Y426 HydrophobicContact CD1-CD2 4.41Å; F423-Y426 PolarHBondContact O-N 2.76Å; F423-N506 HydrophobicContact CE1-CB 3.74Å; F423-N506 HydrophobicContact CZ-CB 3.9Å; F423-I507 HydrophobicContact CB-CD1 4.37Å; F423-I507 HydrophobicContact CB-CG1 4.4Å; F423-I507 HydrophobicContact CD2-CD1 4.42Å; F423-I507 HydrophobicContact CD2-CG1 3.68Å; F423-I507 HydrophobicContact CE2-CG1 4.09Å; F423-I507 HydrophobicContact CG-CD1 4.49Å; F423-I507 HydrophobicContact CG-CG1 3.99Å; F423-L949 HydrophobicContact CE1-CD1 4.36Å; F423-L949 HydrophobicContact CZ-CD1 3.78Å
424K65.3Low70.5Confident89 Ų8956.8 Ų56.839%0.38728%0.275SS..Hα-helixtrans-50.5-28.5-178.1-63.5-178.5178.9173.30113.7D422 Y426 R427 D428D422-K424 PolarHBondContact O-N 3.33Å; K424-Y426 PolarHBondContact O-N 2.83Å; K424-R427 PolarHBondContact O-N 3.05Å; K424-D428 VanDerWaalsContact O-CB 3.29Å; K424-D428 WeakPolarHBondContact O-CB 3.25Å; K424-D428 PolarHBondContact O-N 2.9Å
425L71.1Confident71.2Confident1 Ų159.4 Ų59.41%0.00529%0.293CS..Hα-helixtrans-50.8-52.3-178.3-175.577.4000113.8F423 A429 M481 F953 L1018F423-L425 HydrophobicContact CD1-CB 3.41Å; F423-L425 VanDerWaalsContact CD1-CB 3.41Å; F423-L425 HydrophobicContact CD1-CD2 4.27Å; F423-L425 HydrophobicContact CD1-CG 4.44Å; F423-L425 HydrophobicContact CE1-CB 3.19Å; F423-L425 HydrophobicContact CE1-CD2 3.64Å; F423-L425 HydrophobicContact CE1-CG 3.96Å; F423-L425 HydrophobicContact CG-CB 4.35Å; F423-L425 HydrophobicContact CZ-CB 3.97Å; F423-L425 PolarHBondContact O-N 3.42Å; L425-A429 WeakPolarHBondContact O-CB 3.25Å; L425-A429 PolarHBondContact O-N 2.73Å; L425-M481 HydrophobicContact CD2-CE 3.92Å; L425-M481 HydrophobicContact CG-CE 4.07Å; L425-F953 HydrophobicContact CD1-CD1 3.7Å; L425-F953 HydrophobicContact CD1-CE1 3.29Å; L425-F953 HydrophobicContact CD1-CZ 4.36Å; L425-L1018 HydrophobicContact CD1-CD1 3.75Å; L425-L1018 HydrophobicContact CD1-CD2 3.95Å; L425-L1018 HydrophobicContact CD1-CG 3.59Å; L425-L1018 HydrophobicContact CG-CD1 4.28Å; L425-L1018 VanDerWaalsContact O-CD1 3.26Å; L425-L1018 WeakPolarHBondContact O-CD1 3.16Å
426Y68.3Low71.8Confident66 Ų6658 Ų5826%0.25929%0.286SS..Hα-helixtrans-73.4-37.9-174.7-71.7-81.6000111.8F423 K424 A429 Y430 M481F423-Y426 HydrophobicContact CD1-CD2 4.41Å; F423-Y426 PolarHBondContact O-N 2.76Å; K424-Y426 PolarHBondContact O-N 2.83Å; Y426-A429 WeakPolarHBondContact O-CB 3.31Å; Y426-A429 PolarHBondContact O-N 3.42Å; Y426-Y430 WeakPolarHBondContact O-CD2 3.22Å; Y426-Y430 PolarHBondContact O-N 3.34Å; Y426-M481 HydrophobicContact CE1-CE 4.41Å
427R74.3Confident72.3Confident129 Ų12959.5 Ų59.549%0.48730%0.296SS..Hα-helixtrans-61.7-46.1174.6-174176.470.1-154.17.7111D422 K424 A429 Y430 L431D422-R427 IonicContact OD1-NH1 2.85Å; D422-R427 PolarHBondContact OD1-NH1 3.42Å; D422-R427 VanDerWaalsContact OD1-NH1 3.13Å; D422-R427 IonicContact OD2-NH1 3.82Å; D422-R427 PolarHBondContact OD2-NH1 3.12Å; K424-R427 PolarHBondContact O-N 3.05Å; R427-A429 VanDerWaalsContact C-N 3.3Å; R427-A429 PolarHBondContact O-N 2.87Å; R427-Y430 PolarHBondContact O-N 2.95Å; R427-L431 PolarHBondContact O-N 3.31Å
428D76.9Confident73Confident19 Ų1958.3 Ų58.310%0.10231%0.305CS..Hα-helixtrans-65.4-34.7176.8-67.3-4.3000111.5K424 L431 F432 G1017 L1018 I1019K424-D428 VanDerWaalsContact O-CB 3.29Å; K424-D428 WeakPolarHBondContact O-CB 3.25Å; K424-D428 PolarHBondContact O-N 2.9Å; D428-L431 PolarHBondContact O-N 2.75Å; D428-F432 VanDerWaalsContact O-CB 3.31Å; D428-F432 WeakPolarHBondContact O-CB 3.35Å; D428-F432 PolarHBondContact O-N 2.64Å; D428-G1017 WeakPolarHBondContact OD2-CA 3.44Å; D428-L1018 HydrophobicContact CB-CB 3.82Å; D428-L1018 HydrophobicContact CB-CD1 4.29Å; D428-L1018 HydrophobicContact CB-CG 4.44Å; D428-L1018 PolarHBondContact OD2-N 2.91Å; D428-I1019 HydrophobicContact CB-CD1 4.01Å; D428-I1019 HydrophobicContact CB-CG1 4.12Å
429A76.8Confident74Confident11 Ų1157 Ų579%0.09130%0.295CS..Hα-helixtrans-63.3-43.3175.200000111.5L425 Y426 R427 F432 L433 M481 F956 L1018L425-A429 WeakPolarHBondContact O-CB 3.25Å; L425-A429 PolarHBondContact O-N 2.73Å; Y426-A429 WeakPolarHBondContact O-CB 3.31Å; Y426-A429 PolarHBondContact O-N 3.42Å; R427-A429 VanDerWaalsContact C-N 3.3Å; R427-A429 PolarHBondContact O-N 2.87Å; A429-F432 PolarHBondContact O-N 2.72Å; A429-L433 WeakPolarHBondContact O-CB 3.46Å; A429-L433 PolarHBondContact O-N 2.98Å; A429-M481 HydrophobicContact CB-CE 4.44Å; A429-F956 HydrophobicContact CB-CE2 4.09Å; A429-L1018 HydrophobicContact CB-CD1 3.71Å
430Y77.3Confident75.1Confident117 Ų11754 Ų5446%0.45928%0.282SS..Hα-helixtrans-65.5-40.8173.4-74.8-65.5000112.6F234 Y426 R427 F432 L433 L434F234-Y430 AromaticContact CE2-CE1 3.63Å; F234-Y430 HydrophobicContact CE2-CE1 3.63Å; F234-Y430 AromaticContact CE2-CZ 4Å; F234-Y430 HydrophobicContact CZ-CE1 4.14Å; Y426-Y430 WeakPolarHBondContact O-CD2 3.22Å; Y426-Y430 PolarHBondContact O-N 3.34Å; R427-Y430 PolarHBondContact O-N 2.95Å; Y430-F432 VanDerWaalsContact C-N 3.32Å; Y430-F432 PolarHBondContact O-N 3.32Å; Y430-L433 WeakPolarHBondContact O-CB 3.5Å; Y430-L433 PolarHBondContact O-N 3.47Å; Y430-L434 PolarHBondContact O-N 2.82Å
431L80.9Confident76.4Confident99 Ų9953.5 Ų53.552%0.51828%0.284SS..Hα-helixtrans-65-37.9177.1-176.960.7000111.7R427 D428 L434 C435 I1019R427-L431 PolarHBondContact O-N 3.31Å; D428-L431 PolarHBondContact O-N 2.75Å; L431-L434 WeakPolarHBondContact O-CB 3.35Å; L431-L434 PolarHBondContact O-N 2.87Å; L431-C435 PolarHBondContact O-N 2.87Å; L431-C435 VanDerWaalsContact O-N 3.16Å; L431-I1019 HydrophobicContact CB-CD1 3.96Å; L431-I1019 HydrophobicContact CD2-CD1 3.5Å; L431-I1019 VanDerWaalsContact CD2-CD1 3.5Å; L431-I1019 HydrophobicContact CG-CD1 3.82Å
432F78.3Confident77.8Confident25 Ų2556.8 Ų56.811%0.1130%0.298CS..Hα-helixtrans-68.2-40.1173.4-177.9-92.4000112.3D428 A429 Y430 L434 C435 L436 F956 A960D428-F432 VanDerWaalsContact O-CB 3.31Å; D428-F432 WeakPolarHBondContact O-CB 3.35Å; D428-F432 PolarHBondContact O-N 2.64Å; A429-F432 PolarHBondContact O-N 2.72Å; Y430-F432 VanDerWaalsContact C-N 3.32Å; Y430-F432 PolarHBondContact O-N 3.32Å; F432-L434 VanDerWaalsContact C-N 3.25Å; F432-L434 PolarHBondContact O-N 2.91Å; F432-C435 WeakPolarHBondContact O-CA 3.19Å; F432-C435 VanDerWaalsContact O-CB 3.28Å; F432-C435 WeakPolarHBondContact O-CB 3.26Å; F432-C435 PolarHBondContact O-N 2.78Å; F432-L436 HydrophobicContact CD1-CD1 4.03Å; F432-L436 HydrophobicContact CD1-CG 4.04Å; F432-L436 HydrophobicContact CE1-CD1 3.6Å; F432-L436 HydrophobicContact CE1-CD2 3.97Å; F432-L436 HydrophobicContact CE1-CG 3.65Å; F432-L436 HydrophobicContact CZ-CD2 4.11Å; F432-L436 HydrophobicContact CZ-CG 4.24Å; F432-L436 PolarHBondContact O-N 3.19Å; F432-F956 HydrophobicContact CB-CZ 3.73Å; F432-F956 AromaticContact CD1-CE1 3.86Å; F432-F956 HydrophobicContact CD1-CE1 3.86Å; F432-F956 HydrophobicContact CD1-CE2 4.01Å; F432-F956 AromaticContact CD1-CZ 3.19Å; F432-F956 HydrophobicContact CD1-CZ 3.19Å; F432-F956 HydrophobicContact CD2-CE1 4.29Å; F432-F956 HydrophobicContact CD2-CZ 4.17Å; F432-F956 AromaticContact CE1-CE1 4Å; F432-F956 HydrophobicContact CE1-CE1 4Å; F432-F956 AromaticContact CE1-CZ 3.74Å; F432-F956 HydrophobicContact CE1-CZ 3.74Å; F432-F956 HydrophobicContact CE2-CE1 4.45Å; F432-F956 AromaticContact CG-CE1 3.99Å; F432-F956 HydrophobicContact CG-CE1 3.99Å; F432-F956 HydrophobicContact CG-CE2 4.49Å; F432-F956 AromaticContact CG-CZ 3.43Å; F432-F956 HydrophobicContact CG-CZ 3.43Å; F432-F956 VanDerWaalsContact CG-CZ 3.43Å; F432-F956 HydrophobicContact CZ-CE1 4.31Å; F432-F956 HydrophobicContact CZ-CZ 4.44Å; F432-A960 HydrophobicContact CE1-CB 3.43Å; F432-A960 VanDerWaalsContact CE1-CB 3.43Å; F432-A960 HydrophobicContact CZ-CB 3.58Å
433L78.9Confident79.3Confident31 Ų3154 Ų5416%0.16228%0.284CS..Hα-helixtrans-57.8-41.2173.4-177.365.6000111.2F234 A429 Y430 C435 L436 V437 V473F234-L433 HydrophobicContact CE1-CD2 4.01Å; F234-L433 HydrophobicContact CZ-CD2 4.1Å; A429-L433 WeakPolarHBondContact O-CB 3.46Å; A429-L433 PolarHBondContact O-N 2.98Å; Y430-L433 WeakPolarHBondContact O-CB 3.5Å; Y430-L433 PolarHBondContact O-N 3.47Å; L433-C435 VanDerWaalsContact C-N 3.29Å; L433-C435 PolarHBondContact O-N 3.43Å; L433-L436 WeakPolarHBondContact O-CB 3.37Å; L433-L436 PolarHBondContact O-N 3.01Å; L433-V437 WeakPolarHBondContact O-CG2 3.45Å; L433-V437 PolarHBondContact O-N 3.27Å; L433-V473 HydrophobicContact CD1-CB 4.3Å; L433-V473 HydrophobicContact CD1-CG1 3.77Å; L433-V473 HydrophobicContact CD1-CG2 3.81Å
434L82.6Confident80.6Confident117 Ų11755.7 Ų55.761%0.61329%0.291SS*.Hα-helixtrans-61.7-37.1173.8-17269.7000112.2Y430 L431 F432 V437 A438Y430-L434 PolarHBondContact O-N 2.82Å; L431-L434 WeakPolarHBondContact O-CB 3.35Å; L431-L434 PolarHBondContact O-N 2.87Å; F432-L434 VanDerWaalsContact C-N 3.25Å; F432-L434 PolarHBondContact O-N 2.91Å; L434-V437 PolarHBondContact O-N 2.65Å; L434-A438 PolarHBondContact O-N 3.2Å; L434-A438 VanDerWaalsContact O-N 3.07Å
435C83Confident81.8Confident72 Ų7256.7 Ų56.749%0.48630%0.299SS..Hα-helixtrans-65.5-40.9174.2-176.50000112L431 F432 L433 A438 V439L431-C435 PolarHBondContact O-N 2.87Å; L431-C435 VanDerWaalsContact O-N 3.16Å; F432-C435 WeakPolarHBondContact O-CA 3.19Å; F432-C435 VanDerWaalsContact O-CB 3.28Å; F432-C435 WeakPolarHBondContact O-CB 3.26Å; F432-C435 PolarHBondContact O-N 2.78Å; L433-C435 VanDerWaalsContact C-N 3.29Å; L433-C435 PolarHBondContact O-N 3.43Å; C435-A438 WeakPolarHBondContact O-CB 3.42Å; C435-A438 PolarHBondContact O-N 2.8Å; C435-V439 PolarHBondContact O-N 3.07Å; C435-V439 VanDerWaalsContact O-N 3.1Å
436L82.2Confident82.6Confident8 Ų861.7 Ų61.74%0.04232%0.319CS..Hα-helixtrans-61.8-42.7173.6-72-177.1000112F432 L433 A438 V439 A440 T472 I964F432-L436 HydrophobicContact CD1-CD1 4.03Å; F432-L436 HydrophobicContact CD1-CG 4.04Å; F432-L436 HydrophobicContact CE1-CD1 3.6Å; F432-L436 HydrophobicContact CE1-CD2 3.97Å; F432-L436 HydrophobicContact CE1-CG 3.65Å; F432-L436 HydrophobicContact CZ-CD2 4.11Å; F432-L436 HydrophobicContact CZ-CG 4.24Å; F432-L436 PolarHBondContact O-N 3.19Å; L433-L436 WeakPolarHBondContact O-CB 3.37Å; L433-L436 PolarHBondContact O-N 3.01Å; L436-A438 VanDerWaalsContact C-N 3.26Å; L436-A438 PolarHBondContact O-N 2.62Å; L436-V439 WeakPolarHBondContact O-CB 3.47Å; L436-V439 PolarHBondContact O-N 2.87Å; L436-V439 VanDerWaalsContact O-N 3.1Å; L436-A440 PolarHBondContact O-N 2.99Å; L436-T472 HydrophobicContact CB-CG2 3.95Å; L436-T472 WeakPolarHBondContact O-CG2 3.44Å; L436-I964 HydrophobicContact CD2-CD1 3.77Å; L436-I964 HydrophobicContact CD2-CG1 4.02Å
437V83.6Confident83.4Confident62 Ų6258.6 Ų58.638%0.37631%0.307SS..Hα-helixtrans-60.6-36.8174.7172.50000111.4L433 L434 A440 G441 V473L433-V437 WeakPolarHBondContact O-CG2 3.45Å; L433-V437 PolarHBondContact O-N 3.27Å; L434-V437 PolarHBondContact O-N 2.65Å; V437-A440 WeakPolarHBondContact O-CB 3.49Å; V437-A440 PolarHBondContact O-N 3.49Å; V437-G441 PolarHBondContact O-N 3.07Å; V437-V473 HydrophobicContact CG2-CG2 4.38Å
438A86.6Confident84Confident64 Ų6455.2 Ų55.253%0.52930%0.298SS..Hα-helixtrans-65-38.8174.600000112.4L434 C435 L436 G441 I442L434-A438 PolarHBondContact O-N 3.2Å; L434-A438 VanDerWaalsContact O-N 3.07Å; C435-A438 WeakPolarHBondContact O-CB 3.42Å; C435-A438 PolarHBondContact O-N 2.8Å; L436-A438 VanDerWaalsContact C-N 3.26Å; L436-A438 PolarHBondContact O-N 2.62Å; A438-G441 PolarHBondContact O-N 3.12Å; A438-I442 PolarHBondContact O-N 3.49Å
439V85.8Confident84.6Confident54 Ų5458.2 Ų58.233%0.32732%0.316SS..Hα-helixtrans-65.6-43.9173.31760000110.8C435 L436 G441 I442 G443 Y967C435-V439 PolarHBondContact O-N 3.07Å; C435-V439 VanDerWaalsContact O-N 3.1Å; L436-V439 WeakPolarHBondContact O-CB 3.47Å; L436-V439 PolarHBondContact O-N 2.87Å; L436-V439 VanDerWaalsContact O-N 3.1Å; V439-G441 PolarHBondContact O-N 3.3Å; V439-I442 WeakPolarHBondContact O-CB 3.49Å; V439-I442 PolarHBondContact O-N 2.96Å; V439-G443 PolarHBondContact O-N 3.35Å; V439-Y967 HydrophobicContact CG1-CE1 4.33Å
440A87.2Confident84.9Confident1 Ų158.9 Ų58.91%0.00832%0.319CS..Hα-helixtrans-57.7-37174.700000111.9L436 V437 I442 G443 F444 I469 T472L436-A440 PolarHBondContact O-N 2.99Å; V437-A440 WeakPolarHBondContact O-CB 3.49Å; V437-A440 PolarHBondContact O-N 3.49Å; A440-I442 VanDerWaalsContact C-N 3.25Å; A440-I442 PolarHBondContact O-N 3.5Å; A440-G443 PolarHBondContact O-N 3.04Å; A440-G443 VanDerWaalsContact O-N 3.17Å; A440-F444 WeakPolarHBondContact O-CB 3.29Å; A440-F444 PolarHBondContact O-N 3.35Å; A440-I469 HydrophobicContact CB-CG1 4.4Å; A440-T472 HydrophobicContact CB-CG2 3.95Å; A440-T472 WeakPolarHBondContact CB-OG1 3.42Å
441G88.8Confident85.3Confident26 Ų2653.5 Ų53.527%0.26830%0.298SS..Hα-helixtrans-60.1-31.7175.100000113.9V437 A438 V439 I445V437-G441 PolarHBondContact O-N 3.07Å; A438-G441 PolarHBondContact O-N 3.12Å; V439-G441 PolarHBondContact O-N 3.3Å; G441-I445 VanDerWaalsContact O-CG1 3.32Å; G441-I445 WeakPolarHBondContact O-CG1 3.31Å; G441-I445 PolarHBondContact O-N 3.46Å; G441-I445 VanDerWaalsContact O-N 3.14Å
442I89.4Confident85.6Confident119 Ų11953 Ų5361%0.6130%0.299SS*.Hα-helixtrans-69.5-45.9174.6-59.1172000109.9A438 V439 A440 F444 I445 Y446A438-I442 PolarHBondContact O-N 3.49Å; V439-I442 WeakPolarHBondContact O-CB 3.49Å; V439-I442 PolarHBondContact O-N 2.96Å; A440-I442 VanDerWaalsContact C-N 3.25Å; A440-I442 PolarHBondContact O-N 3.5Å; I442-F444 VanDerWaalsContact C-N 3.34Å; I442-I445 PolarHBondContact O-N 3.05Å; I442-Y446 WeakPolarHBondContact O-CB 3.25Å; I442-Y446 PolarHBondContact O-N 3.29Å
443G86.2Confident85.9Confident1 Ų158.5 Ų58.51%0.0133%0.327CS..Hα-helixtrans-62.5-39.8175.400000113V439 A440 Y446 S447 Y967V439-G443 PolarHBondContact O-N 3.35Å; A440-G443 PolarHBondContact O-N 3.04Å; A440-G443 VanDerWaalsContact O-N 3.17Å; G443-Y446 WeakPolarHBondContact O-CB 3.08Å; G443-Y446 PolarHBondContact O-N 3.24Å; G443-S447 WeakPolarHBondContact O-CB 3.46Å; G443-S447 PolarHBondContact O-N 3.14Å; G443-Y967 WeakPolarHBondContact CA-OH 3.48Å; G443-Y967 PolarHBondContact N-OH 2.78Å; G443-Y967 VanDerWaalsContact N-OH 3.14Å
444F89.2Confident86.1Confident59 Ų5960.6 Ų60.626%0.25934%0.338SS..Hα-helixtrans-56.5-50.9174.2178.5-93.5000111.5A440 I442 Y446 S447 I448 S465 L466 I469A440-F444 WeakPolarHBondContact O-CB 3.29Å; A440-F444 PolarHBondContact O-N 3.35Å; I442-F444 VanDerWaalsContact C-N 3.34Å; F444-Y446 VanDerWaalsContact C-N 3.35Å; F444-Y446 PolarHBondContact O-N 2.99Å; F444-S447 PolarHBondContact O-N 2.9Å; F444-I448 HydrophobicContact CD1-CD1 3.83Å; F444-I448 HydrophobicContact CE1-CD1 3.29Å; F444-I448 HydrophobicContact CE1-CG1 4.48Å; F444-I448 HydrophobicContact CE2-CD1 4.28Å; F444-I448 HydrophobicContact CZ-CD1 3.54Å; F444-I448 WeakPolarHBondContact O-CG1 3.2Å; F444-I448 PolarHBondContact O-N 2.81Å; F444-I448 VanDerWaalsContact O-N 3.09Å; F444-S465 WeakPolarHBondContact CD2-O 3.45Å; F444-S465 VanDerWaalsContact CE2-CB 3.41Å; F444-L466 HydrophobicContact CE2-CD2 4.12Å; F444-L466 HydrophobicContact CE2-CG 4.44Å; F444-I469 HydrophobicContact CD2-CD1 3.75Å; F444-I469 HydrophobicContact CD2-CG1 4.22Å; F444-I469 HydrophobicContact CE2-CD1 4.23Å; F444-I469 HydrophobicContact CG-CD1 4.33Å
445I90.1Very high86.2Confident109 Ų10966.1 Ų66.156%0.55935%0.351SS*.Hα-helixtrans-64.1-42.1177.8-65.9166.3000110.7G441 I442 I448 V449G441-I445 VanDerWaalsContact O-CG1 3.32Å; G441-I445 WeakPolarHBondContact O-CG1 3.31Å; G441-I445 PolarHBondContact O-N 3.46Å; G441-I445 VanDerWaalsContact O-N 3.14Å; I442-I445 PolarHBondContact O-N 3.05Å; I445-I448 PolarHBondContact O-N 3.29Å; I445-V449 HydrophobicContact CG2-CG2 4.43Å; I445-V449 WeakPolarHBondContact O-CG2 3.46Å; I445-V449 PolarHBondContact O-N 3.39Å
446Y88.2Confident86.1Confident106 Ų10664.4 Ų64.442%0.41634%0.338SS..Hα-helixtrans-59.8-47178.3172.4-103.6000112.2I442 G443 F444 V449 L450 T971I442-Y446 WeakPolarHBondContact O-CB 3.25Å; I442-Y446 PolarHBondContact O-N 3.29Å; G443-Y446 WeakPolarHBondContact O-CB 3.08Å; G443-Y446 PolarHBondContact O-N 3.24Å; F444-Y446 VanDerWaalsContact C-N 3.35Å; F444-Y446 PolarHBondContact O-N 2.99Å; Y446-V449 PolarHBondContact O-N 3.49Å; Y446-L450 HydrophobicContact CE1-CD2 4.41Å; Y446-L450 WeakPolarHBondContact O-CB 3.19Å; Y446-L450 PolarHBondContact O-N 2.99Å; Y446-T971 HydrophobicContact CD1-CG2 3.81Å; Y446-T971 HydrophobicContact CE1-CG2 3.82Å
447S84.9Confident86.3Confident2 Ų270.6 Ų70.61%0.01437%0.367CS..Hα-helixtrans-60.5-47.3176.9171.50000111.5G443 F444 V449 L450 S451 I468G443-S447 WeakPolarHBondContact O-CB 3.46Å; G443-S447 PolarHBondContact O-N 3.14Å; F444-S447 PolarHBondContact O-N 2.9Å; S447-V449 VanDerWaalsContact C-N 3.35Å; S447-V449 PolarHBondContact O-N 3.45Å; S447-L450 PolarHBondContact O-N 2.94Å; S447-S451 WeakPolarHBondContact O-CB 3.49Å; S447-S451 PolarHBondContact O-N 3.24Å; S447-S451 PolarHBondContact O-OG 3.23Å; S447-S451 VanDerWaalsContact O-OG 3.13Å; S447-I468 VanDerWaalsContact CB-CD1 3.48Å
448I88.1Confident86.3Confident58 Ų5872.6 Ų72.630%0.29738%0.379SS..Hα-helixtrans-56.8-48.2176.4-68.7175000111.5F444 I445 L450 V452 I461 S465F444-I448 HydrophobicContact CD1-CD1 3.83Å; F444-I448 HydrophobicContact CE1-CD1 3.29Å; F444-I448 HydrophobicContact CE1-CG1 4.48Å; F444-I448 HydrophobicContact CE2-CD1 4.28Å; F444-I448 HydrophobicContact CZ-CD1 3.54Å; F444-I448 WeakPolarHBondContact O-CG1 3.2Å; F444-I448 PolarHBondContact O-N 2.81Å; F444-I448 VanDerWaalsContact O-N 3.09Å; I445-I448 PolarHBondContact O-N 3.29Å; I448-L450 VanDerWaalsContact C-N 3.33Å; I448-L450 PolarHBondContact O-N 3.01Å; I448-V452 HydrophobicContact CG2-CG2 4.37Å; I448-V452 WeakPolarHBondContact O-CB 3.34Å; I448-V452 WeakPolarHBondContact O-CG2 3.21Å; I448-V452 PolarHBondContact O-N 3.31Å; I448-I461 HydrophobicContact CG1-CG2 4.35Å; I448-S465 WeakPolarHBondContact CG1-OG 3.43Å
449V88.2Confident86.2Confident81 Ų8175.6 Ų75.649%0.49138%0.38SS..Hα-helixtrans-61.4-45-179.1171.10000110.6I445 Y446 S447 M453I445-V449 HydrophobicContact CG2-CG2 4.43Å; I445-V449 WeakPolarHBondContact O-CG2 3.46Å; I445-V449 PolarHBondContact O-N 3.39Å; Y446-V449 PolarHBondContact O-N 3.49Å; S447-V449 VanDerWaalsContact C-N 3.35Å; S447-V449 PolarHBondContact O-N 3.45Å; V449-M453 HydrophobicContact CG1-SD 4.12Å; V449-M453 VanDerWaalsContact O-CG 3.29Å; V449-M453 WeakPolarHBondContact O-CG 3.28Å; V449-M453 PolarHBondContact O-N 3.32Å
450L84.6Confident85.9Confident26 Ų2674.8 Ų74.814%0.13638%0.375CS..Hα-helixtrans-65.4-47.8-179.5-177.168.8000112.2Y446 S447 I448 V452 M453 N454 Y974Y446-L450 HydrophobicContact CE1-CD2 4.41Å; Y446-L450 WeakPolarHBondContact O-CB 3.19Å; Y446-L450 PolarHBondContact O-N 2.99Å; S447-L450 PolarHBondContact O-N 2.94Å; I448-L450 VanDerWaalsContact C-N 3.33Å; I448-L450 PolarHBondContact O-N 3.01Å; L450-V452 VanDerWaalsContact C-N 3.3Å; L450-V452 PolarHBondContact O-N 3.32Å; L450-M453 WeakPolarHBondContact O-CB 3.42Å; L450-M453 PolarHBondContact O-N 2.98Å; L450-M453 VanDerWaalsContact O-N 3.13Å; L450-N454 PolarHBondContact O-N 3.2Å; L450-N454 PolarHBondContact O-ND2 2.91Å; L450-Y974 VanDerWaalsContact CD2-O 3.25Å; L450-Y974 WeakPolarHBondContact CD2-O 3.4Å
451S83.8Confident85.8Confident3 Ų375.8 Ų75.82%0.02138%0.38CS..Hα-helixtrans-68.4-30.2-178.2-56.30000111.9S447 R455 V456 E464S447-S451 WeakPolarHBondContact O-CB 3.49Å; S447-S451 PolarHBondContact O-N 3.24Å; S447-S451 PolarHBondContact O-OG 3.23Å; S447-S451 VanDerWaalsContact O-OG 3.13Å; S451-R455 PolarHBondContact O-N 2.82Å; S451-V456 PolarHBondContact O-N 2.93Å; S451-E464 PolarHBondContact OG-OE2 3.06Å
452V87.1Confident85.7Confident89 Ų8979.1 Ų79.154%0.53939%0.391SS..Hα-helixtrans-67.9-42.3169.4170.90000111.7I448 L450 N454 R455 I461I448-V452 HydrophobicContact CG2-CG2 4.37Å; I448-V452 WeakPolarHBondContact O-CB 3.34Å; I448-V452 WeakPolarHBondContact O-CG2 3.21Å; I448-V452 PolarHBondContact O-N 3.31Å; L450-V452 VanDerWaalsContact C-N 3.3Å; L450-V452 PolarHBondContact O-N 3.32Å; V452-N454 VanDerWaalsContact C-N 3.28Å; V452-N454 PolarHBondContact O-N 3.01Å; V452-R455 PolarHBondContact O-N 2.99Å; V452-I461 HydrophobicContact CG2-CD1 4.28Å
453M86.6Confident85.4Confident141 Ų14174.3 Ų74.370%0.69537%0.366SS*.Hα-helixtrans-62.2-37.1176.2-75.1177.462.800112.1V449 L450 R455V449-M453 HydrophobicContact CG1-SD 4.12Å; V449-M453 VanDerWaalsContact O-CG 3.29Å; V449-M453 WeakPolarHBondContact O-CG 3.28Å; V449-M453 PolarHBondContact O-N 3.32Å; L450-M453 WeakPolarHBondContact O-CB 3.42Å; L450-M453 PolarHBondContact O-N 2.98Å; L450-M453 VanDerWaalsContact O-N 3.13Å; M453-R455 VanDerWaalsContact C-N 3.31Å; M453-R455 PolarHBondContact O-N 3.01Å
454N81.6Confident85.1Confident75 Ų7575.5 Ų75.540%0.40137%0.371SS..THydrogen-bonded Turntrans-84.41.8179.5-70.1-28.4000114.2L450 V452 V456 L977L450-N454 PolarHBondContact O-N 3.2Å; L450-N454 PolarHBondContact O-ND2 2.91Å; V452-N454 VanDerWaalsContact C-N 3.28Å; V452-N454 PolarHBondContact O-N 3.01Å; N454-V456 HydrophobicContact CB-CG2 4.09Å; N454-V456 PolarHBondContact O-N 3.35Å; N454-L977 HydrophobicContact CB-CD1 4.23Å; N454-L977 HydrophobicContact CB-CD2 4.34Å
455R84.3Confident84.9Confident232 Ų23272.8 Ų72.888%0.87536%0.359SS*.THydrogen-bonded Turntrans5641.5179.6-56.4-167.4179.9-163.91.1114.4S451 V452 M453S451-R455 PolarHBondContact O-N 2.82Å; V452-R455 PolarHBondContact O-N 2.99Å; M453-R455 VanDerWaalsContact C-N 3.31Å; M453-R455 PolarHBondContact O-N 3.01Å
456V82.1Confident84.7Confident37 Ų3770.3 Ų70.322%0.22435%0.347CS..  trans-74.2155176-176.70000110.9S451 N454 T460 I461 L977S451-V456 PolarHBondContact O-N 2.93Å; N454-V456 HydrophobicContact CB-CG2 4.09Å; N454-V456 PolarHBondContact O-N 3.35Å; V456-T460 HydrophobicContact CG1-CG2 3.94Å; V456-I461 HydrophobicContact CB-CG1 4.22Å; V456-I461 HydrophobicContact CG1-CG1 4.37Å; V456-I461 WeakPolarHBondContact O-CD1 3.34Å; V456-L977 HydrophobicContact CG2-CD2 3.99Å
457E85.9Confident84.6Confident138 Ų13865.4 Ų65.465%0.64533%0.328SS*.  trans-63.6141.3177.9-170.3178.6170.500112.4K459 T460 I461E457-K459 VanDerWaalsContact C-N 3.26Å; E457-K459 PolarHBondContact O-N 3.16Å; E457-T460 PolarHBondContact O-N 3.08Å; E457-T460 VanDerWaalsContact O-N 3.13Å; E457-I461 WeakPolarHBondContact O-CG1 3.41Å; E457-I461 PolarHBondContact O-N 3.16Å
458V84.8Confident84.7Confident103 Ų10365.4 Ų65.462%0.62433%0.328SS*.Hα-helixtrans-57.9-36.1-176.5-179.90000112.9I461 I462V458-I461 PolarHBondContact O-N 2.59Å; V458-I462 HydrophobicContact CG1-CD1 4.01Å; V458-I462 WeakPolarHBondContact O-CG1 3.24Å; V458-I462 PolarHBondContact O-N 3.47Å; V458-I462 VanDerWaalsContact O-N 3.11Å
459K82.6Confident84.6Confident128 Ų12864.8 Ų64.856%0.55733%0.325SS*.Hα-helixtrans-60.3-49.5177.6-176.7-171.3170.7-160.30110.7E457 I462 I463E457-K459 VanDerWaalsContact C-N 3.26Å; E457-K459 PolarHBondContact O-N 3.16Å; K459-I462 PolarHBondContact O-N 3.25Å; K459-I463 HydrophobicContact CG-CD1 4.04Å; K459-I463 WeakPolarHBondContact O-CG1 3.42Å; K459-I463 PolarHBondContact O-N 3.16Å
460T81Confident84.5Confident37 Ų3761 Ų6123%0.22730%0.302CS..Hα-helixtrans-64.2-41.6178.9-480000111.3V456 E457 I462 I463 E464V456-T460 HydrophobicContact CG1-CG2 3.94Å; E457-T460 PolarHBondContact O-N 3.08Å; E457-T460 VanDerWaalsContact O-N 3.13Å; T460-I462 VanDerWaalsContact C-N 3.31Å; T460-I462 PolarHBondContact O-N 3.41Å; T460-I463 PolarHBondContact O-N 2.61Å; T460-E464 HydrophobicContact CG2-CG 3.99Å; T460-E464 WeakPolarHBondContact CG2-OE1 3.27Å; T460-E464 WeakPolarHBondContact O-CB 3.28Å; T460-E464 WeakPolarHBondContact O-CG 3.37Å; T460-E464 PolarHBondContact O-N 3.16Å
461I85.4Confident84.5Confident21 Ų2160.4 Ų60.411%0.10830%0.299CS..Hα-helixtrans-56-45.7175.5-64.5172.5000111.4I448 V452 V456 E457 V458 S465I448-I461 HydrophobicContact CG1-CG2 4.35Å; V452-I461 HydrophobicContact CG2-CD1 4.28Å; V456-I461 HydrophobicContact CB-CG1 4.22Å; V456-I461 HydrophobicContact CG1-CG1 4.37Å; V456-I461 WeakPolarHBondContact O-CD1 3.34Å; E457-I461 WeakPolarHBondContact O-CG1 3.41Å; E457-I461 PolarHBondContact O-N 3.16Å; V458-I461 PolarHBondContact O-N 2.59Å; I461-S465 WeakPolarHBondContact O-CB 3.36Å; I461-S465 PolarHBondContact O-N 3.14Å; I461-S465 VanDerWaalsContact O-N 3.11Å; I461-S465 PolarHBondContact O-OG 3.24Å
462I85.5Confident84.6Confident96 Ų9660.3 Ų60.349%0.49230%0.298SS..Hα-helixtrans-65.8-43.9-178.5-68.5168.2000110.9V458 K459 T460 L466V458-I462 HydrophobicContact CG1-CD1 4.01Å; V458-I462 WeakPolarHBondContact O-CG1 3.24Å; V458-I462 PolarHBondContact O-N 3.47Å; V458-I462 VanDerWaalsContact O-N 3.11Å; K459-I462 PolarHBondContact O-N 3.25Å; T460-I462 VanDerWaalsContact C-N 3.31Å; T460-I462 PolarHBondContact O-N 3.41Å; I462-L466 HydrophobicContact CG2-CD1 3.89Å; I462-L466 WeakPolarHBondContact O-CB 3.45Å; I462-L466 VanDerWaalsContact O-CG 3.26Å; I462-L466 WeakPolarHBondContact O-CG 3.5Å; I462-L466 PolarHBondContact O-N 3.41Å; I462-L466 VanDerWaalsContact O-N 3.13Å
463I83.8Confident84.3Confident19 Ų1956.5 Ų56.510%0.09728%0.275CS..Hα-helixtrans-68.6-53.5-177.4-64.4169.9000110.7L244 T247 D248 K459 T460 S465 L466 D467L244-I463 HydrophobicContact CD2-CG2 4.31Å; T247-I463 HydrophobicContact CG2-CD1 4.02Å; D248-I463 HydrophobicContact CB-CG2 3.58Å; D248-I463 WeakPolarHBondContact OD1-CG2 3.44Å; D248-I463 WeakPolarHBondContact OD2-CG2 3.49Å; K459-I463 HydrophobicContact CG-CD1 4.04Å; K459-I463 WeakPolarHBondContact O-CG1 3.42Å; K459-I463 PolarHBondContact O-N 3.16Å; T460-I463 PolarHBondContact O-N 2.61Å; I463-S465 VanDerWaalsContact C-N 3.3Å; I463-S465 PolarHBondContact O-N 3.09Å; I463-L466 PolarHBondContact O-N 3.45Å; I463-D467 WeakPolarHBondContact O-CB 3.08Å; I463-D467 PolarHBondContact O-N 3.29Å
464E79.1Confident84Confident26 Ų2649.9 Ų49.912%0.12124%0.242CC..Hα-helixtrans-57.3-42.1179.4-71.6177.1166.700111.9S451 T460 D467 I468 Y974S451-E464 PolarHBondContact OG-OE2 3.06Å; T460-E464 HydrophobicContact CG2-CG 3.99Å; T460-E464 WeakPolarHBondContact CG2-OE1 3.27Å; T460-E464 WeakPolarHBondContact O-CB 3.28Å; T460-E464 WeakPolarHBondContact O-CG 3.37Å; T460-E464 PolarHBondContact O-N 3.16Å; E464-D467 PolarHBondContact O-N 3.11Å; E464-I468 PolarHBondContact O-N 3.27Å; E464-Y974 HydrophobicContact CG-CE1 4.38Å
465S85Confident83.6Confident1 Ų148 Ų481%0.00724%0.235CC..Hα-helixtrans-66.6-45.3179.7-56.80000110.9F444 I448 I461 I463 D467 I468F444-S465 WeakPolarHBondContact CD2-O 3.45Å; F444-S465 VanDerWaalsContact CE2-CB 3.41Å; I448-S465 WeakPolarHBondContact CG1-OG 3.43Å; I461-S465 WeakPolarHBondContact O-CB 3.36Å; I461-S465 PolarHBondContact O-N 3.14Å; I461-S465 VanDerWaalsContact O-N 3.11Å; I461-S465 PolarHBondContact O-OG 3.24Å; I463-S465 VanDerWaalsContact C-N 3.3Å; I463-S465 PolarHBondContact O-N 3.09Å; S465-D467 VanDerWaalsContact C-N 3.33Å; S465-D467 PolarHBondContact O-N 3.27Å; S465-I468 PolarHBondContact O-N 3.2Å
466L86.6Confident83.1Confident57 Ų5738.6 Ų38.630%0.29821%0.206SC..Hα-helixtrans-68.8-30.9179.3-71.8173000112.5L244 F444 I462 I463 I468 I469 T470L244-L466 HydrophobicContact CD1-CB 3.38Å; L244-L466 HydrophobicContact CD1-CD1 4.47Å; F444-L466 HydrophobicContact CE2-CD2 4.12Å; F444-L466 HydrophobicContact CE2-CG 4.44Å; I462-L466 HydrophobicContact CG2-CD1 3.89Å; I462-L466 WeakPolarHBondContact O-CB 3.45Å; I462-L466 VanDerWaalsContact O-CG 3.26Å; I462-L466 WeakPolarHBondContact O-CG 3.5Å; I462-L466 PolarHBondContact O-N 3.41Å; I462-L466 VanDerWaalsContact O-N 3.13Å; I463-L466 PolarHBondContact O-N 3.45Å; L466-I468 VanDerWaalsContact C-N 3.32Å; L466-I468 PolarHBondContact O-N 3.34Å; L466-I469 HydrophobicContact CD2-CD1 4.32Å; L466-I469 WeakPolarHBondContact O-CB 3.44Å; L466-I469 PolarHBondContact O-N 2.99Å; L466-I469 VanDerWaalsContact O-N 3.13Å; L466-T470 PolarHBondContact O-N 2.95Å
467D85.3Confident82.9Confident3 Ų337.2 Ų37.22%0.01620%0.197CC..Hα-helixtrans-60.3-39.9177.6-175.241.2000112.1L244 W245 I463 E464 S465 I469 T470 I471 Y974L244-D467 HydrophobicContact CD2-CB 3.92Å; W245-D467 PolarHBondContact NE1-OD1 3.08Å; I463-D467 WeakPolarHBondContact O-CB 3.08Å; I463-D467 PolarHBondContact O-N 3.29Å; E464-D467 PolarHBondContact O-N 3.11Å; S465-D467 VanDerWaalsContact C-N 3.33Å; S465-D467 PolarHBondContact O-N 3.27Å; D467-I469 PolarHBondContact O-N 3.21Å; D467-I469 VanDerWaalsContact O-N 3.15Å; D467-T470 WeakPolarHBondContact O-CA 3.32Å; D467-T470 PolarHBondContact O-N 3.27Å; D467-T470 PolarHBondContact O-OG1 2.93Å; D467-T470 PolarHBondContact OD1-OG1 3.28Å; D467-T470 VanDerWaalsContact OD1-OG1 3.12Å; D467-I471 PolarHBondContact O-N 3.02Å; D467-I471 VanDerWaalsContact OD2-CD1 3.25Å; D467-I471 WeakPolarHBondContact OD2-CD1 3.35Å; D467-Y974 PolarHBondContact OD2-OH 2.84Å
468I86.9Confident82.3Confident3 Ų332.5 Ų32.52%0.01518%0.179CC..Hα-helixtrans-53.4-38.8174.7-66176.1000112.2S447 E464 S465 L466 T470 T472 Y967 Y974S447-I468 VanDerWaalsContact CB-CD1 3.48Å; E464-I468 PolarHBondContact O-N 3.27Å; S465-I468 PolarHBondContact O-N 3.2Å; L466-I468 VanDerWaalsContact C-N 3.32Å; L466-I468 PolarHBondContact O-N 3.34Å; I468-T470 VanDerWaalsContact C-N 3.33Å; I468-T472 PolarHBondContact O-N 3.15Å; I468-T472 PolarHBondContact O-OG1 3.45Å; I468-Y967 HydrophobicContact CG2-CD2 3.7Å; I468-Y967 HydrophobicContact CG2-CE2 3.38Å; I468-Y974 HydrophobicContact CD1-CD2 3.93Å; I468-Y974 HydrophobicContact CD1-CE2 3.85Å; I468-Y974 HydrophobicContact CG1-CD2 4.23Å; I468-Y974 HydrophobicContact CG1-CE2 3.68Å
469I85.7Confident81.8Confident44 Ų4429.2 Ų29.223%0.22616%0.162CC..Hα-helixtrans-67.5-38.6178.3-59.4176.4000110.2A440 F444 L466 D467A440-I469 HydrophobicContact CB-CG1 4.4Å; F444-I469 HydrophobicContact CD2-CD1 3.75Å; F444-I469 HydrophobicContact CD2-CG1 4.22Å; F444-I469 HydrophobicContact CE2-CD1 4.23Å; F444-I469 HydrophobicContact CG-CD1 4.33Å; L466-I469 HydrophobicContact CD2-CD1 4.32Å; L466-I469 WeakPolarHBondContact O-CB 3.44Å; L466-I469 PolarHBondContact O-N 2.99Å; L466-I469 VanDerWaalsContact O-N 3.13Å; D467-I469 PolarHBondContact O-N 3.21Å; D467-I469 VanDerWaalsContact O-N 3.15Å
470T86.6Confident81.7Confident3 Ų323.2 Ų23.22%0.01814%0.137CC..Hα-helixtrans-71.9-39.1-179.473.40000113.2F240 L244 W245 L466 D467 I468 T472 V473F240-T470 HydrophobicContact CD1-CG2 4.34Å; F240-T470 HydrophobicContact CE1-CG2 4.08Å; L244-T470 HydrophobicContact CD1-CG2 4.05Å; W245-T470 PolarHBondContact NE1-OG1 3.18Å; L466-T470 PolarHBondContact O-N 2.95Å; D467-T470 WeakPolarHBondContact O-CA 3.32Å; D467-T470 PolarHBondContact O-N 3.27Å; D467-T470 PolarHBondContact O-OG1 2.93Å; D467-T470 PolarHBondContact OD1-OG1 3.28Å; D467-T470 VanDerWaalsContact OD1-OG1 3.12Å; I468-T470 VanDerWaalsContact C-N 3.33Å; T470-T472 VanDerWaalsContact C-N 3.26Å; T470-T472 PolarHBondContact O-N 3.1Å; T470-V473 PolarHBondContact O-N 3.01Å
471I85.9Confident81.5Confident13 Ų1322 Ų227%0.06713%0.128CC..Hα-helixtrans-63.3-34177.1-67.2160000111.6D467 V473 Q966 V970D467-I471 PolarHBondContact O-N 3.02Å; D467-I471 VanDerWaalsContact OD2-CD1 3.25Å; D467-I471 WeakPolarHBondContact OD2-CD1 3.35Å; I471-V473 PolarHBondContact O-N 3.46Å; I471-Q966 HydrophobicContact CG2-CB 4.17Å; I471-Q966 HydrophobicContact CG2-CG 3.74Å; I471-V970 HydrophobicContact CD1-CB 4.33Å; I471-V970 HydrophobicContact CD1-CG1 3.98Å; I471-V970 HydrophobicContact CD1-CG2 4.06Å
472T84.1Confident81.2Confident1 Ų124.2 Ų24.21%0.00614%0.143CC..THydrogen-bonded Turntrans-70.2-20.6-176.2-57.20000112.9L436 A440 I468 T470 P474 S963 Y967L436-T472 HydrophobicContact CB-CG2 3.95Å; L436-T472 WeakPolarHBondContact O-CG2 3.44Å; A440-T472 HydrophobicContact CB-CG2 3.95Å; A440-T472 WeakPolarHBondContact CB-OG1 3.42Å; I468-T472 PolarHBondContact O-N 3.15Å; I468-T472 PolarHBondContact O-OG1 3.45Å; T470-T472 VanDerWaalsContact C-N 3.26Å; T470-T472 PolarHBondContact O-N 3.1Å; T472-P474 WeakPolarHBondContact O-CD 3.4Å; T472-S963 WeakPolarHBondContact O-CB 3.37Å; T472-Y967 WeakPolarHBondContact OG1-CD2 3.47Å
473V82.1Confident81Confident8 Ų820 Ų205%0.04812%0.123CC..SBendtrans-106.5110.6-177.5175.90000110.7F237 L433 V437 T470 I471 P475F237-V473 HydrophobicContact CD1-CB 4.16Å; F237-V473 HydrophobicContact CD1-CG1 3.83Å; F237-V473 HydrophobicContact CE1-CB 3.4Å; F237-V473 VanDerWaalsContact CE1-CB 3.4Å; F237-V473 HydrophobicContact CE1-CG1 3.61Å; F237-V473 HydrophobicContact CE1-CG2 4Å; F237-V473 HydrophobicContact CE2-CG2 4.44Å; F237-V473 HydrophobicContact CZ-CB 3.7Å; F237-V473 HydrophobicContact CZ-CG1 4.21Å; F237-V473 HydrophobicContact CZ-CG2 3.75Å; L433-V473 HydrophobicContact CD1-CB 4.3Å; L433-V473 HydrophobicContact CD1-CG1 3.77Å; L433-V473 HydrophobicContact CD1-CG2 3.81Å; V437-V473 HydrophobicContact CG2-CG2 4.38Å; T470-V473 PolarHBondContact O-N 3.01Å; I471-V473 PolarHBondContact O-N 3.46Å; V473-P475 WeakPolarHBondContact O-CD 3.39Å
474P79.3Confident81.1Confident2 Ų219.2 Ų19.21%0.01312%0.12CC..  trans-65.1119-177.42.2-3.6000112.8T472 A476 L477 M959 Y962 S963T472-P474 WeakPolarHBondContact O-CD 3.4Å; P474-A476 VanDerWaalsContact C-N 3.29Å; P474-A476 PolarHBondContact O-N 3.48Å; P474-L477 HydrophobicContact CB-CB 4.07Å; P474-L477 HydrophobicContact CG-CB 4.14Å; P474-L477 HydrophobicContact CG-CD2 4.42Å; P474-L477 WeakPolarHBondContact O-CB 3.49Å; P474-L477 PolarHBondContact O-N 3.5Å; P474-M959 HydrophobicContact CB-CE 3.7Å; P474-M959 HydrophobicContact CG-CB 4.49Å; P474-Y962 WeakPolarHBondContact CA-OH 3.23Å; P474-Y962 HydrophobicContact CB-CE1 3.8Å; P474-Y962 WeakPolarHBondContact CB-OH 3.35Å; P474-Y962 HydrophobicContact CG-CE1 4.39Å; P474-S963 WeakPolarHBondContact CD-OG 3.36Å; P474-S963 VanDerWaalsContact CG-OG 3.27Å; P474-S963 WeakPolarHBondContact CG-OG 3.44Å
475P73Confident81.4Confident37 Ų3718.3 Ų18.324%0.2412%0.115CC..THydrogen-bonded Turntrans-66.3-31.1-178.824.5-32.8000112.6Q238 I257 V473 L477Q238-P475 HydrophobicContact CG-CB 4.41Å; I257-P475 HydrophobicContact CD1-CG 4.25Å; V473-P475 WeakPolarHBondContact O-CD 3.39Å; P475-L477 VanDerWaalsContact C-N 3.33Å; P475-L477 PolarHBondContact O-N 3.43Å
476A75Confident81.4Confident33 Ų3320.4 Ų20.427%0.27313%0.128SC..THydrogen-bonded Turntrans-84.50.2-178.800000114.2P474 A479 A480 M959P474-A476 VanDerWaalsContact C-N 3.29Å; P474-A476 PolarHBondContact O-N 3.48Å; A476-A479 PolarHBondContact O-N 3.23Å; A476-A480 VanDerWaalsContact O-CB 3.25Å; A476-A480 WeakPolarHBondContact O-CB 3.1Å; A476-A480 PolarHBondContact O-N 3.45Å; A476-M959 HydrophobicContact CB-CE 3.84Å
477L77.4Confident81.6Confident9 Ų919.9 Ų19.95%0.04712%0.122CC..Hα-helixtrans-55.3-47.6-172.4-178.267.4000113.7F234 P474 P475 A479 A480 M481 F956 M959F234-L477 HydrophobicContact CE1-CD2 4.18Å; F234-L477 HydrophobicContact CZ-CD2 4.47Å; P474-L477 HydrophobicContact CB-CB 4.07Å; P474-L477 HydrophobicContact CG-CB 4.14Å; P474-L477 HydrophobicContact CG-CD2 4.42Å; P474-L477 WeakPolarHBondContact O-CB 3.49Å; P474-L477 PolarHBondContact O-N 3.5Å; P475-L477 VanDerWaalsContact C-N 3.33Å; P475-L477 PolarHBondContact O-N 3.43Å; L477-A479 PolarHBondContact O-N 3.5Å; L477-A480 PolarHBondContact O-N 3.08Å; L477-M481 HydrophobicContact CD1-CG 4.44Å; L477-M481 HydrophobicContact CD1-SD 4.36Å; L477-M481 HydrophobicContact CG-SD 4.43Å; L477-M481 WeakPolarHBondContact O-CG 3.26Å; L477-M481 PolarHBondContact O-N 3.26Å; L477-M481 VanDerWaalsContact O-N 3.1Å; L477-F956 HydrophobicContact CD1-CD2 4.15Å; L477-M959 HydrophobicContact CD1-CB 3.6Å; L477-M959 HydrophobicContact CD1-CG 4Å
478P72.1Confident81.8Confident38 Ų3819.7 Ų19.725%0.24712%0.122CC..Hα-helixtrans-66.9-39.4-179.5-20.834.5000113F234 T482F234-P478 HydrophobicContact CB-CG 3.82Å; F234-P478 HydrophobicContact CD1-CG 3.53Å; F234-P478 HydrophobicContact CD2-CG 3.61Å; F234-P478 HydrophobicContact CE1-CG 3.92Å; F234-P478 HydrophobicContact CE2-CG 3.99Å; F234-P478 HydrophobicContact CG-CG 3.36Å; F234-P478 HydrophobicContact CZ-CG 4.14Å; P478-T482 PolarHBondContact O-N 2.97Å; P478-T482 PolarHBondContact O-OG1 3.19Å
479A75.4Confident82Confident34 Ų3422 Ų2228%0.28113%0.132SC..Hα-helixtrans-66.2-44178.900000111A476 L477 T482 A483A476-A479 PolarHBondContact O-N 3.23Å; L477-A479 PolarHBondContact O-N 3.5Å; A479-T482 PolarHBondContact O-N 3.46Å; A479-A483 PolarHBondContact O-N 3.4Å
480A79.8Confident82.1Confident3 Ų327.3 Ų27.33%0.02515%0.15CC..Hα-helixtrans-59.7-46.7177.400000112.3A476 L477 T482 A483 V955 M959 V997A476-A480 VanDerWaalsContact O-CB 3.25Å; A476-A480 WeakPolarHBondContact O-CB 3.1Å; A476-A480 PolarHBondContact O-N 3.45Å; L477-A480 PolarHBondContact O-N 3.08Å; A480-T482 VanDerWaalsContact C-N 3.28Å; A480-T482 PolarHBondContact O-N 3.48Å; A480-A483 PolarHBondContact O-N 2.75Å; A480-V955 HydrophobicContact CB-CG1 3.6Å; A480-M959 HydrophobicContact CB-CE 4.42Å; A480-M959 HydrophobicContact CB-CG 4.2Å; A480-M959 HydrophobicContact CB-SD 4.28Å; A480-V997 HydrophobicContact CB-CG1 3.47Å; A480-V997 VanDerWaalsContact CB-CG1 3.47Å
481M78.1Confident82.3Confident10 Ų1029.5 Ų29.55%0.04916%0.157CC..Hα-helixtrans-63.3-35.4178-72.7-175.767.700112.6L425 Y426 A429 L477 F956L425-M481 HydrophobicContact CD2-CE 3.92Å; L425-M481 HydrophobicContact CG-CE 4.07Å; Y426-M481 HydrophobicContact CE1-CE 4.41Å; A429-M481 HydrophobicContact CB-CE 4.44Å; L477-M481 HydrophobicContact CD1-CG 4.44Å; L477-M481 HydrophobicContact CD1-SD 4.36Å; L477-M481 HydrophobicContact CG-SD 4.43Å; L477-M481 WeakPolarHBondContact O-CG 3.26Å; L477-M481 PolarHBondContact O-N 3.26Å; L477-M481 VanDerWaalsContact O-N 3.1Å; M481-F956 HydrophobicContact SD-CD2 4.32Å
482T77.6Confident82.6Confident68 Ų6828.9 Ų28.942%0.41715%0.154SC..Hα-helixtrans-75.2-32.4-179.7-54.10000112.1P478 A479 A480 G484 I485 V486P478-T482 PolarHBondContact O-N 2.97Å; P478-T482 PolarHBondContact O-OG1 3.19Å; A479-T482 PolarHBondContact O-N 3.46Å; A480-T482 VanDerWaalsContact C-N 3.28Å; A480-T482 PolarHBondContact O-N 3.48Å; T482-G484 PolarHBondContact O-N 2.86Å; T482-I485 PolarHBondContact O-N 2.91Å; T482-I485 VanDerWaalsContact O-N 3.12Å; T482-V486 HydrophobicContact CG2-CG2 4.02Å; T482-V486 WeakPolarHBondContact O-CG2 3.28Å; T482-V486 PolarHBondContact O-N 3.25Å
483A82.7Confident82.9Confident9 Ų935.3 Ų35.37%0.07418%0.182CC..Hα-helixtrans-55.5-46.4-178.100000112.9A479 A480 I485 V486 Y487 F998A479-A483 PolarHBondContact O-N 3.4Å; A480-A483 PolarHBondContact O-N 2.75Å; A483-I485 VanDerWaalsContact C-N 3.3Å; A483-I485 PolarHBondContact O-N 3.03Å; A483-V486 PolarHBondContact O-N 3.34Å; A483-Y487 HydrophobicContact CB-CE2 4.11Å; A483-Y487 WeakPolarHBondContact O-CD2 3.09Å; A483-Y487 VanDerWaalsContact O-CG 3.27Å; A483-Y487 PolarHBondContact O-N 3.33Å; A483-F998 HydrophobicContact CB-CD1 3.88Å; A483-F998 HydrophobicContact CB-CE1 3.79Å
484G84.6Confident83.3Confident2 Ų243.9 Ų43.92%0.02122%0.219CC..Hα-helixtrans-59.1-38.717800000113.4T482 A488T482-G484 PolarHBondContact O-N 2.86Å; G484-A488 WeakPolarHBondContact O-CB 3.46Å; G484-A488 PolarHBondContact O-N 2.96Å
485I86.4Confident83.8Confident6 Ų648.1 Ų48.13%0.03124%0.24CC..Hα-helixtrans-69.5-45.4178.4-59.2174.5000110.5T482 A483 Y487 A488 Q489 P502 I505T482-I485 PolarHBondContact O-N 2.91Å; T482-I485 VanDerWaalsContact O-N 3.12Å; A483-I485 VanDerWaalsContact C-N 3.3Å; A483-I485 PolarHBondContact O-N 3.03Å; I485-Y487 VanDerWaalsContact C-N 3.32Å; I485-Y487 PolarHBondContact O-N 3.01Å; I485-A488 PolarHBondContact O-N 3.25Å; I485-Q489 WeakPolarHBondContact O-CB 3.36Å; I485-Q489 PolarHBondContact O-N 3.45Å; I485-P502 HydrophobicContact CG2-CB 3.61Å; I485-P502 WeakPolarHBondContact CG2-O 3.29Å; I485-I505 HydrophobicContact CG2-CD1 4.2Å
486V85.6Confident84.5Confident46 Ų4647 Ų4728%0.27924%0.235SC..Hα-helixtrans-62.9-40.2179.4172.80000111.1T482 A483 Q489 R490T482-V486 HydrophobicContact CG2-CG2 4.02Å; T482-V486 WeakPolarHBondContact O-CG2 3.28Å; T482-V486 PolarHBondContact O-N 3.25Å; A483-V486 PolarHBondContact O-N 3.34Å; V486-Q489 PolarHBondContact O-N 3.48Å; V486-R490 WeakPolarHBondContact O-CG 3.37Å; V486-R490 PolarHBondContact O-N 3.21Å
487Y88.9Confident85.3Confident45 Ų4545.6 Ų45.618%0.17622%0.223CC..Hα-helixtrans-67.1-40175.6-61.7-35.2000112.3A483 I485 R490 R491 L1002A483-Y487 HydrophobicContact CB-CE2 4.11Å; A483-Y487 WeakPolarHBondContact O-CD2 3.09Å; A483-Y487 VanDerWaalsContact O-CG 3.27Å; A483-Y487 PolarHBondContact O-N 3.33Å; I485-Y487 VanDerWaalsContact C-N 3.32Å; I485-Y487 PolarHBondContact O-N 3.01Å; Y487-R490 PolarHBondContact O-N 3.42Å; Y487-R491 WeakPolarHBondContact O-CG 3.43Å; Y487-R491 PolarHBondContact O-N 3.37Å; Y487-L1002 HydrophobicContact CD1-CD2 3.92Å; Y487-L1002 HydrophobicContact CD2-CD2 3.62Å; Y487-L1002 HydrophobicContact CD2-CG 4.23Å; Y487-L1002 HydrophobicContact CE1-CD2 4Å; Y487-L1002 HydrophobicContact CE2-CD2 3.69Å; Y487-L1002 HydrophobicContact CE2-CG 4.09Å; Y487-L1002 HydrophobicContact CG-CD2 3.74Å
488A90.8Very high85.7Confident0 Ų049.4 Ų49.40%024%0.24CC..Hα-helixtrans-61.7-44.3172.700000111.9G484 I485 R490 R491 L492 I505 A948G484-A488 WeakPolarHBondContact O-CB 3.46Å; G484-A488 PolarHBondContact O-N 2.96Å; I485-A488 PolarHBondContact O-N 3.25Å; A488-R490 VanDerWaalsContact C-N 3.32Å; A488-R490 PolarHBondContact O-N 3.45Å; A488-R491 PolarHBondContact O-N 3.45Å; A488-R491 VanDerWaalsContact O-N 3.1Å; A488-L492 WeakPolarHBondContact O-CG 3.19Å; A488-L492 PolarHBondContact O-N 3.28Å; A488-I505 HydrophobicContact CB-CG2 4.11Å; A488-A948 HydrophobicContact CB-CB 3.9Å
489Q90.3Very high86.3Confident51 Ų5148.3 Ų48.324%0.23823%0.232CC..Hα-helixtrans-58.8-42.4175.9-169.6-173.61200111.8I485 V486 R491 L492 K493 C499 I505I485-Q489 WeakPolarHBondContact O-CB 3.36Å; I485-Q489 PolarHBondContact O-N 3.45Å; V486-Q489 PolarHBondContact O-N 3.48Å; Q489-R491 VanDerWaalsContact C-N 3.34Å; Q489-R491 PolarHBondContact O-N 3.37Å; Q489-L492 PolarHBondContact O-N 2.95Å; Q489-K493 WeakPolarHBondContact O-CB 3.48Å; Q489-K493 PolarHBondContact O-N 2.69Å; Q489-C499 HydrophobicContact CG-CB 4.26Å; Q489-C499 PolarHBondContact NE2-O 2.69Å; Q489-C499 VanDerWaalsContact NE2-O 3.09Å; Q489-I505 HydrophobicContact CB-CD1 3.82Å; Q489-I505 HydrophobicContact CG-CD1 4.33Å
490R88.8Confident86.4Confident156 Ų15650.9 Ų50.959%0.58924%0.241SC*.Hα-helixtrans-63.3-38.1175.6-73.1177.9-174.7175.12112.2V486 Y487 A488 K494V486-R490 WeakPolarHBondContact O-CG 3.37Å; V486-R490 PolarHBondContact O-N 3.21Å; Y487-R490 PolarHBondContact O-N 3.42Å; A488-R490 VanDerWaalsContact C-N 3.32Å; A488-R490 PolarHBondContact O-N 3.45Å; R490-K494 WeakPolarHBondContact O-CG 3.36Å; R490-K494 PolarHBondContact O-N 3.27Å
491R91.6Very high86.1Confident48 Ų4852.7 Ų52.718%0.18125%0.253CS..Hα-helixtrans-68.8-45176.3-70.1-168.9-57.9-92.7-2111.8Y487 A488 Q489 K493 K494 I495 E944Y487-R491 WeakPolarHBondContact O-CG 3.43Å; Y487-R491 PolarHBondContact O-N 3.37Å; A488-R491 PolarHBondContact O-N 3.45Å; A488-R491 VanDerWaalsContact O-N 3.1Å; Q489-R491 VanDerWaalsContact C-N 3.34Å; Q489-R491 PolarHBondContact O-N 3.37Å; R491-K493 VanDerWaalsContact C-N 3.31Å; R491-K493 PolarHBondContact O-N 3.09Å; R491-K494 WeakPolarHBondContact O-CB 3.47Å; R491-K494 PolarHBondContact O-N 3.3Å; R491-K494 VanDerWaalsContact O-N 3.11Å; R491-I495 PolarHBondContact O-N 3.32Å; R491-E944 IonicContact CZ-OE2 3.27Å; R491-E944 VanDerWaalsContact CZ-OE2 3.28Å; R491-E944 IonicContact NE-OE1 2.64Å; R491-E944 PolarHBondContact NE-OE1 3.35Å; R491-E944 IonicContact NE-OE2 3.31Å; R491-E944 PolarHBondContact NE-OE2 3.04Å; R491-E944 IonicContact NH2-OE2 2.82Å; R491-E944 PolarHBondContact NH2-OE2 3.13Å
492L92.1Very high86.1Confident0 Ų053.5 Ų53.50%026%0.259CS..Hα-helixtrans-58.1-44.1175.1-73.6170.3000111.5A488 Q489 K494 I495 G496 I497 I505 L941 E944A488-L492 WeakPolarHBondContact O-CG 3.19Å; A488-L492 PolarHBondContact O-N 3.28Å; Q489-L492 PolarHBondContact O-N 2.95Å; L492-K494 VanDerWaalsContact C-N 3.26Å; L492-K494 PolarHBondContact O-N 2.88Å; L492-I495 PolarHBondContact O-N 3.44Å; L492-G496 PolarHBondContact O-N 2.8Å; L492-I497 CarbonylContact C-O 3.53Å; L492-I497 HydrophobicContact CB-CB 4.29Å; L492-I497 HydrophobicContact CD2-CB 4.39Å; L492-I497 HydrophobicContact CD2-CD1 4.08Å; L492-I497 PolarHBondContact O-N 2.95Å; L492-I505 HydrophobicContact CD1-CD1 4.09Å; L492-I505 HydrophobicContact CD1-CG1 4.17Å; L492-I505 HydrophobicContact CD1-CG2 4.36Å; L492-L941 HydrophobicContact CD1-CD1 3.84Å; L492-L941 HydrophobicContact CD2-CD1 4.03Å; L492-E944 HydrophobicContact CD2-CB 3.92Å; L492-E944 HydrophobicContact CD2-CG 3.94Å; L492-E944 HydrophobicContact CG-CB 4.24Å; L492-E944 HydrophobicContact CG-CG 4.34Å
493K89.4Confident86.2Confident136 Ų13655.9 Ų55.959%0.59127%0.265SS*.Hα-helixtrans-59.3-35.5176.5-172.1175.6-178.9175.90112.8Q489 R491 I495 G496 I497 F498Q489-K493 WeakPolarHBondContact O-CB 3.48Å; Q489-K493 PolarHBondContact O-N 2.69Å; R491-K493 VanDerWaalsContact C-N 3.31Å; R491-K493 PolarHBondContact O-N 3.09Å; K493-I495 VanDerWaalsContact C-N 3.28Å; K493-I495 PolarHBondContact O-N 3.14Å; K493-G496 PolarHBondContact O-N 3.45Å; K493-I497 WeakPolarHBondContact CA-O 3.26Å; K493-I497 PolarHBondContact N-O 2.94Å; K493-F498 HydrophobicContact CD-CE1 4.5Å; K493-F498 HydrophobicContact CG-CD1 4.23Å; K493-F498 HydrophobicContact CG-CE1 4.06Å
494K90.4Very high86.3Confident189 Ų18956.9 Ų56.982%0.82227%0.267SS*.Hα-helixtrans-67.7-27.4175.7-72.5-178.8179.1-172.30113.1R490 R491 L492 G496R490-K494 WeakPolarHBondContact O-CG 3.36Å; R490-K494 PolarHBondContact O-N 3.27Å; R491-K494 WeakPolarHBondContact O-CB 3.47Å; R491-K494 PolarHBondContact O-N 3.3Å; R491-K494 VanDerWaalsContact O-N 3.11Å; L492-K494 VanDerWaalsContact C-N 3.26Å; L492-K494 PolarHBondContact O-N 2.88Å; K494-G496 VanDerWaalsContact C-N 3.27Å
495I89.8Confident86.6Confident91 Ų9156.8 Ų56.847%0.46727%0.266SS..THydrogen-bonded Turntrans-85.3-4.3177.6-57.9164.5000110.9R491 L492 K493R491-I495 PolarHBondContact O-N 3.32Å; L492-I495 PolarHBondContact O-N 3.44Å; K493-I495 VanDerWaalsContact C-N 3.28Å; K493-I495 PolarHBondContact O-N 3.14Å
496G88.3Confident86.7Confident13 Ų1356.5 Ų56.513%0.13427%0.265CS..THydrogen-bonded Turntrans87.916-177.700000114.1L492 K493 K494 R931L492-G496 PolarHBondContact O-N 2.8Å; K493-G496 PolarHBondContact O-N 3.45Å; K494-G496 VanDerWaalsContact C-N 3.27Å; G496-R931 WeakPolarHBondContact O-CB 3.49Å; G496-R931 PolarHBondContact O-N 3.07Å
497I90.9Very high86.8Confident3 Ų354.5 Ų54.52%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-102.4111.6173.3-56.3172.1000108.7L492 K493 T929 C937L492-I497 CarbonylContact C-O 3.53Å; L492-I497 HydrophobicContact CB-CB 4.29Å; L492-I497 HydrophobicContact CD2-CB 4.39Å; L492-I497 HydrophobicContact CD2-CD1 4.08Å; L492-I497 PolarHBondContact O-N 2.95Å; K493-I497 WeakPolarHBondContact CA-O 3.26Å; K493-I497 PolarHBondContact N-O 2.94Å; I497-T929 CarbonylContact C-O 3.51Å; I497-T929 WeakPolarHBondContact CA-O 3.24Å; I497-C937 HydrophobicContact CD1-CB 3.78Å; I497-C937 HydrophobicContact CG1-CB 4.12Å
498F86.8Confident86.9Confident90 Ų9052.4 Ų52.440%0.39524%0.244SC..EExtended strand (participates in β ladder)trans-89.2142.1176.3-60.2-86.7000110.2K493 F928 T929 R931K493-F498 HydrophobicContact CD-CE1 4.5Å; K493-F498 HydrophobicContact CG-CD1 4.23Å; K493-F498 HydrophobicContact CG-CE1 4.06Å; F498-F928 VanDerWaalsContact O-CA 3.31Å; F498-F928 WeakPolarHBondContact O-CA 3.45Å; F498-T929 PolarHBondContact N-O 3.44Å; F498-T929 PolarHBondContact O-N 2.65Å; F498-R931 HydrophobicContact CE2-CB 4.42Å
499C83.9Confident86.8Confident14 Ų1452.4 Ų52.410%0.09524%0.244CC..EExtended strand (participates in β ladder)trans-129.9121.9-179.5176.20000109.4Q489 S501 P927 F928Q489-C499 HydrophobicContact CG-CB 4.26Å; Q489-C499 PolarHBondContact NE2-O 2.69Å; Q489-C499 VanDerWaalsContact NE2-O 3.09Å; C499-S501 PolarHBondContact SG-O 3.15Å; C499-P927 WeakPolarHBondContact CA-O 3.36Å; C499-F928 HydrophobicContact CB-CD1 3.77Å; C499-F928 HydrophobicContact CB-CE1 3.78Å; C499-F928 WeakPolarHBondContact SG-CE1 3.4Å
500I77Confident86.7Confident89 Ų8950.3 Ų50.346%0.45624%0.235SC..SBendtrans-83.2-39.1178.3-59.7175.2000110.2P502 P927I500-P502 WeakPolarHBondContact O-CD 3.29Å; I500-P927 PolarHBondContact N-O 2.88Å
501S74.1Confident86.8Confident40 Ų4043 Ų4328%0.2821%0.207SC..  trans-11693.6-177.7-173.60000112.1C499 Q503 R504C499-S501 PolarHBondContact SG-O 3.15Å; S501-Q503 PolarHBondContact O-N 2.85Å; S501-Q503 VanDerWaalsContact O-N 3.14Å; S501-R504 PolarHBondContact O-N 2.92Å; S501-R504 VanDerWaalsContact O-N 3.11Å
502P79.2Confident86.7Confident28 Ų2841.2 Ų41.218%0.18220%0.201CC..THydrogen-bonded Turntrans-59.8-30.4-172.9-24.133.2000114I485 I500 R504 I505I485-P502 HydrophobicContact CG2-CB 3.61Å; I485-P502 WeakPolarHBondContact CG2-O 3.29Å; I500-P502 WeakPolarHBondContact O-CD 3.29Å; P502-R504 PolarHBondContact O-N 2.99Å; P502-I505 HydrophobicContact CB-CD1 4.47Å; P502-I505 VanDerWaalsContact O-CB 3.28Å; P502-I505 WeakPolarHBondContact O-CB 3.38Å; P502-I505 VanDerWaalsContact O-CG1 3.3Å; P502-I505 WeakPolarHBondContact O-CG1 3.15Å; P502-I505 PolarHBondContact O-N 2.98Å; P502-I505 VanDerWaalsContact O-N 3.08Å
503Q79.2Confident86.8Confident117 Ų11741.2 Ų41.255%0.54720%0.201SC..THydrogen-bonded Turntrans-61.5-29.2-179.9-65.8-178.8-13.700112.7S501 I505 N506S501-Q503 PolarHBondContact O-N 2.85Å; S501-Q503 VanDerWaalsContact O-N 3.14Å; Q503-I505 PolarHBondContact O-N 3.42Å; Q503-N506 PolarHBondContact O-N 2.8Å
504R85Confident87.1Confident31 Ų3134.9 Ų34.912%0.11717%0.174CC..Hα-helixtrans-70.1-16.3177.9-67-170.6178.4-159.95.6113.2S501 P502 N506 I507 C508 A911 F928S501-R504 PolarHBondContact O-N 2.92Å; S501-R504 VanDerWaalsContact O-N 3.11Å; P502-R504 PolarHBondContact O-N 2.99Å; R504-N506 VanDerWaalsContact C-N 3.29Å; R504-N506 PolarHBondContact O-N 2.97Å; R504-I507 HydrophobicContact CG-CD1 4.3Å; R504-I507 WeakPolarHBondContact O-CB 3.46Å; R504-I507 PolarHBondContact O-N 3.49Å; R504-I507 VanDerWaalsContact O-N 3.11Å; R504-C508 PolarHBondContact O-N 3.26Å; R504-C508 VanDerWaalsContact O-N 3.13Å; R504-C508 PolarHBondContact O-SG 2.92Å; R504-A911 PolarHBondContact NH1-O 2.87Å; R504-F928 HydrophobicContact CB-CE2 4.1Å; R504-F928 HydrophobicContact CB-CZ 4Å
505I90.1Very high87.4Confident0 Ų025.9 Ų25.90%014%0.135CC..Hα-helixtrans-59.1-41.9175.9-63.2169.6000110.7I485 A488 Q489 L492 P502 Q503 I507 C508 F928 G945 A948I485-I505 HydrophobicContact CG2-CD1 4.2Å; A488-I505 HydrophobicContact CB-CG2 4.11Å; Q489-I505 HydrophobicContact CB-CD1 3.82Å; Q489-I505 HydrophobicContact CG-CD1 4.33Å; L492-I505 HydrophobicContact CD1-CD1 4.09Å; L492-I505 HydrophobicContact CD1-CG1 4.17Å; L492-I505 HydrophobicContact CD1-CG2 4.36Å; P502-I505 HydrophobicContact CB-CD1 4.47Å; P502-I505 VanDerWaalsContact O-CB 3.28Å; P502-I505 WeakPolarHBondContact O-CB 3.38Å; P502-I505 VanDerWaalsContact O-CG1 3.3Å; P502-I505 WeakPolarHBondContact O-CG1 3.15Å; P502-I505 PolarHBondContact O-N 2.98Å; P502-I505 VanDerWaalsContact O-N 3.08Å; Q503-I505 PolarHBondContact O-N 3.42Å; I505-I507 VanDerWaalsContact C-N 3.31Å; I505-I507 PolarHBondContact O-N 3.05Å; I505-C508 VanDerWaalsContact O-CB 3.3Å; I505-C508 WeakPolarHBondContact O-CB 3.44Å; I505-C508 PolarHBondContact O-N 3.47Å; I505-F928 HydrophobicContact CG1-CE1 3.84Å; I505-F928 HydrophobicContact CG1-CZ 4.11Å; I505-G945 WeakPolarHBondContact O-CA 3.29Å; I505-A948 HydrophobicContact CG2-CB 3.97Å
506N88.8Confident87.7Confident0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-68-32178.4-80.5-4.7000112.4F423 Q503 R504 C508 G509 A948 L949 S952F423-N506 HydrophobicContact CE1-CB 3.74Å; F423-N506 HydrophobicContact CZ-CB 3.9Å; Q503-N506 PolarHBondContact O-N 2.8Å; R504-N506 VanDerWaalsContact C-N 3.29Å; R504-N506 PolarHBondContact O-N 2.97Å; N506-C508 VanDerWaalsContact C-N 3.28Å; N506-C508 PolarHBondContact O-N 2.86Å; N506-G509 PolarHBondContact O-N 3.37Å; N506-A948 WeakPolarHBondContact OD1-CB 3.27Å; N506-L949 HydrophobicContact CB-CD1 4.35Å; N506-L949 PolarHBondContact OD1-N 3.32Å; N506-S952 PolarHBondContact ND2-OG 3.4Å
507I87.7Confident87.8Confident4 Ų421.1 Ų21.12%0.02111%0.107CC..Hα-helixtrans-66.9-33.9176.5-51.4179.7000110.4F423 R504 I505 G509 Q510 F894 H912F423-I507 HydrophobicContact CB-CD1 4.37Å; F423-I507 HydrophobicContact CB-CG1 4.4Å; F423-I507 HydrophobicContact CD2-CD1 4.42Å; F423-I507 HydrophobicContact CD2-CG1 3.68Å; F423-I507 HydrophobicContact CE2-CG1 4.09Å; F423-I507 HydrophobicContact CG-CD1 4.49Å; F423-I507 HydrophobicContact CG-CG1 3.99Å; R504-I507 HydrophobicContact CG-CD1 4.3Å; R504-I507 WeakPolarHBondContact O-CB 3.46Å; R504-I507 PolarHBondContact O-N 3.49Å; R504-I507 VanDerWaalsContact O-N 3.11Å; I505-I507 VanDerWaalsContact C-N 3.31Å; I505-I507 PolarHBondContact O-N 3.05Å; I507-G509 PolarHBondContact O-N 3.43Å; I507-G509 VanDerWaalsContact O-N 3.08Å; I507-Q510 PolarHBondContact O-N 2.78Å; I507-F894 HydrophobicContact CG2-CD1 4.38Å; I507-H912 HydrophobicContact CG2-CB 3.82Å
508C90.8Very high87.7Confident0 Ų021 Ų210%011%0.107CC..Hα-helixtrans-58.1-25.1175.9-59.70000112.9R504 I505 N506 Q510 I511 S913 F928 L941R504-C508 PolarHBondContact O-N 3.26Å; R504-C508 VanDerWaalsContact O-N 3.13Å; R504-C508 PolarHBondContact O-SG 2.92Å; I505-C508 VanDerWaalsContact O-CB 3.3Å; I505-C508 WeakPolarHBondContact O-CB 3.44Å; I505-C508 PolarHBondContact O-N 3.47Å; N506-C508 VanDerWaalsContact C-N 3.28Å; N506-C508 PolarHBondContact O-N 2.86Å; C508-Q510 PolarHBondContact O-N 3.31Å; C508-I511 HydrophobicContact CB-CD1 4.07Å; C508-S913 PolarHBondContact SG-OG 3.32Å; C508-S913 VanDerWaalsContact SG-OG 3.39Å; C508-F928 WeakPolarHBondContact SG-CE2 3.46Å; C508-F928 VanDerWaalsContact SG-CZ 3.55Å; C508-L941 HydrophobicContact CB-CG 4.25Å
509G88.4Confident87.5Confident0 Ų019.1 Ų19.10%010%0.102CC..THydrogen-bonded Turntrans-67-21.617500000114.8N506 I507 R946 P1014N506-G509 PolarHBondContact O-N 3.37Å; I507-G509 PolarHBondContact O-N 3.43Å; I507-G509 VanDerWaalsContact O-N 3.08Å; G509-R946 WeakPolarHBondContact O-CG 3.26Å; G509-P1014 WeakPolarHBondContact O-CD 3.46Å
510Q88Confident87.3Confident8 Ų818.5 Ų18.54%0.03710%0.098CC..THydrogen-bonded Turntrans-98.4-7.5-177.5-67.2-61.8-5300114I507 C508 N512 F894 L949 P1014 P1015I507-Q510 PolarHBondContact O-N 2.78Å; C508-Q510 PolarHBondContact O-N 3.31Å; Q510-N512 PolarHBondContact O-N 2.9Å; Q510-F894 HydrophobicContact CB-CB 4.43Å; Q510-F894 HydrophobicContact CB-CD1 3.92Å; Q510-F894 HydrophobicContact CB-CD2 3.94Å; Q510-F894 HydrophobicContact CB-CE1 4.12Å; Q510-F894 HydrophobicContact CB-CE2 4.14Å; Q510-F894 HydrophobicContact CB-CG 3.83Å; Q510-F894 HydrophobicContact CB-CZ 4.22Å; Q510-F894 VanDerWaalsContact O-CB 3.31Å; Q510-F894 WeakPolarHBondContact O-CB 3.37Å; Q510-L949 HydrophobicContact CG-CD2 3.99Å; Q510-P1014 PolarHBondContact NE2-O 3.06Å; Q510-P1015 PolarHBondContact NE2-O 2.87Å; Q510-P1015 VanDerWaalsContact NE2-O 3.12Å
511I90.8Very high87.8Confident3 Ų314.2 Ų14.22%0.0158%0.077CC..  trans-52.8128.5-179.3-66.7172.4000110.2C508 V514 F894 I942C508-I511 HydrophobicContact CB-CD1 4.07Å; I511-V514 HydrophobicContact CG2-CG2 3.71Å; I511-F894 WeakPolarHBondContact CA-O 3.38Å; I511-I942 HydrophobicContact CB-CD1 4.38Å; I511-I942 HydrophobicContact CD1-CG1 4.23Å; I511-I942 HydrophobicContact CG2-CD1 4.07Å
512N90.5Very high88.6Confident9 Ų912.3 Ų12.35%0.0486%0.063CC..  trans-126.3-5175.364.6-18.4000113Q510 R763 Y893 F894 R1013Q510-N512 PolarHBondContact O-N 2.9Å; N512-R763 PolarHBondContact O-N 3.36Å; N512-Y893 WeakPolarHBondContact ND2-CD1 3.42Å; N512-F894 PolarHBondContact N-O 3.35Å; N512-F894 PolarHBondContact OD1-N 3.31Å; N512-F894 PolarHBondContact OD1-O 3.45Å; N512-R1013 VanDerWaalsContact CB-NH1 3.28Å; N512-R1013 PolarHBondContact ND2-NH1 3.07Å
513L93.6Very high89.1Confident0 Ų011 Ų110%06%0.055CC..EExtended strand (participates in β ladder)trans-144.7133.9178.2-174.1150.1000109.7R763 I765 L888 Y893 F894 V895 G896L513-R763 CarbonylContact C-O 3.59Å; L513-R763 VanDerWaalsContact CA-O 3.24Å; L513-R763 WeakPolarHBondContact CA-O 3.47Å; L513-R763 HydrophobicContact CB-CB 4.46Å; L513-R763 HydrophobicContact CD1-CB 4.35Å; L513-R763 HydrophobicContact CD1-CG 4.22Å; L513-R763 HydrophobicContact CG-CB 4.29Å; L513-R763 HydrophobicContact CG-CG 4.42Å; L513-I765 HydrophobicContact CD1-CD1 3.75Å; L513-I765 HydrophobicContact CD1-CG1 4.41Å; L513-I765 HydrophobicContact CD2-CD1 4.04Å; L513-I765 HydrophobicContact CD2-CG1 4.41Å; L513-I765 HydrophobicContact CG-CD1 4.17Å; L513-I765 HydrophobicContact CG-CG1 4.42Å; L513-L888 HydrophobicContact CD1-CD2 3.7Å; L513-L888 HydrophobicContact CD2-CD1 3.92Å; L513-L888 HydrophobicContact CD2-CD2 4.41Å; L513-Y893 HydrophobicContact CB-CD1 3.9Å; L513-Y893 HydrophobicContact CB-CG 4.45Å; L513-Y893 HydrophobicContact CD1-CD1 3.78Å; L513-Y893 HydrophobicContact CD1-CD2 4.43Å; L513-Y893 HydrophobicContact CD1-CE1 4.06Å; L513-Y893 HydrophobicContact CD1-CG 4Å; L513-F894 PolarHBondContact N-O 3.25Å; L513-V895 HydrophobicContact CD2-CG1 3.98Å; L513-V895 HydrophobicContact CD2-CG2 4.36Å; L513-V895 WeakPolarHBondContact O-CA 3.49Å; L513-G896 PolarHBondContact O-N 3.22Å
514V95.9Very high89.3Confident3 Ų38.9 Ų8.92%0.0185%0.045CC..EExtended strand (participates in β ladder)trans-125.9123.6174.6-173.90000109.9I511 F516 I762 R763 T764 I765 G896 V938 I942I511-V514 HydrophobicContact CG2-CG2 3.71Å; V514-F516 HydrophobicContact CB-CD2 4.48Å; V514-F516 HydrophobicContact CB-CE2 3.79Å; V514-F516 HydrophobicContact CB-CZ 4.09Å; V514-F516 HydrophobicContact CG1-CD2 4.08Å; V514-F516 HydrophobicContact CG1-CE1 3.99Å; V514-F516 HydrophobicContact CG1-CE2 3.52Å; V514-F516 HydrophobicContact CG1-CZ 3.46Å; V514-F516 VanDerWaalsContact CG1-CZ 3.46Å; V514-I762 HydrophobicContact CG2-CG2 3.89Å; V514-R763 PolarHBondContact N-O 3.46Å; V514-T764 WeakPolarHBondContact O-CA 3.44Å; V514-I765 PolarHBondContact O-N 2.98Å; V514-G896 CarbonylContact C-O 3.5Å; V514-G896 WeakPolarHBondContact CA-O 3.49Å; V514-V938 HydrophobicContact CG1-CG1 4.24Å; V514-V938 HydrophobicContact CG2-CG1 4.21Å; V514-I942 HydrophobicContact CG2-CD1 4.35Å
515C96.1Very high88.5Confident0 Ų013 Ų130%07%0.069CC..EExtended strand (participates in β ladder)trans-87.4135.2169-60.80000109.3I765 V767 G896 M897 C898C515-I765 CarbonylContact C-O 3.45Å; C515-I765 WeakPolarHBondContact CA-O 3.43Å; C515-V767 HydrophobicContact CB-CG2 4.11Å; C515-G896 PolarHBondContact N-O 2.98Å; C515-M897 HydrophobicContact CB-SD 3.49Å; C515-M897 WeakPolarHBondContact CB-SD 3.26Å; C515-M897 CarbonylContact O-C 3.55Å; C515-M897 WeakPolarHBondContact O-CA 3.45Å; C515-C898 PolarHBondContact O-N 3.43Å
516F95.4Very high87.4Confident0 Ų014.3 Ų14.30%08%0.083CC..EExtended strand (participates in β ladder)trans-121.8133.4177-68.3-82.5000110.1V514 T521 L522 L754 L757 T764 I765 M766 V767 M784 C898 I935 V938V514-F516 HydrophobicContact CB-CD2 4.48Å; V514-F516 HydrophobicContact CB-CE2 3.79Å; V514-F516 HydrophobicContact CB-CZ 4.09Å; V514-F516 HydrophobicContact CG1-CD2 4.08Å; V514-F516 HydrophobicContact CG1-CE1 3.99Å; V514-F516 HydrophobicContact CG1-CE2 3.52Å; V514-F516 HydrophobicContact CG1-CZ 3.46Å; V514-F516 VanDerWaalsContact CG1-CZ 3.46Å; F516-T521 HydrophobicContact CD1-CG2 4.17Å; F516-L522 HydrophobicContact CB-CD1 3.99Å; F516-L522 HydrophobicContact CB-CD2 4.11Å; F516-L522 HydrophobicContact CB-CG 4.1Å; F516-L522 HydrophobicContact CD1-CD2 4.2Å; F516-L522 HydrophobicContact CG-CD2 4.16Å; F516-L754 HydrophobicContact CD2-CD2 4.29Å; F516-L754 HydrophobicContact CE2-CD2 3.89Å; F516-L754 HydrophobicContact CZ-CD2 4.32Å; F516-L757 HydrophobicContact CE2-CD1 3.95Å; F516-L757 HydrophobicContact CZ-CD1 3.68Å; F516-T764 HydrophobicContact CE2-CG2 3.97Å; F516-I765 PolarHBondContact N-O 2.87Å; F516-M766 WeakPolarHBondContact O-CA 3.49Å; F516-V767 PolarHBondContact O-N 3.39Å; F516-M784 HydrophobicContact CD2-CE 4.48Å; F516-C898 HydrophobicContact CD1-CB 3.68Å; F516-C898 HydrophobicContact CE1-CB 3.82Å; F516-I935 HydrophobicContact CD1-CG2 3.96Å; F516-I935 HydrophobicContact CE1-CB 4.05Å; F516-I935 HydrophobicContact CE1-CD1 4.26Å; F516-I935 HydrophobicContact CE1-CG2 3.87Å; F516-V938 HydrophobicContact CE1-CG2 3.9Å; F516-V938 HydrophobicContact CZ-CG1 4.28Å; F516-V938 HydrophobicContact CZ-CG2 4.31Å
517D92.1Very high86.7Confident5 Ų514.8 Ų14.83%0.0279%0.085CC..  trans-69.8156.5159.9-167.970.2000110.6T519 T521 L522 V767 K881 C898 D904D517-T519 PolarHBondContact OD2-N 3.49Å; D517-T521 VanDerWaalsContact O-CB 3.24Å; D517-T521 WeakPolarHBondContact O-CB 3.32Å; D517-T521 WeakPolarHBondContact O-CG2 3.3Å; D517-L522 VanDerWaalsContact O-CG 3.3Å; D517-L522 WeakPolarHBondContact O-CG 3.26Å; D517-V767 WeakPolarHBondContact CA-O 3.45Å; D517-V767 VanDerWaalsContact OD1-O 3.06Å; D517-K881 IonicContact OD1-NZ 2.76Å; D517-K881 PolarHBondContact OD1-NZ 2.78Å; D517-C898 PolarHBondContact N-O 3.21Å; D517-D904 WeakPolarHBondContact CB-OD2 3.28Å
518K88.7Confident86.4Confident0 Ų018.2 Ų18.20%010%0.104CC..Iπ-helixtrans-91.5-52.1-177.2-172.1-119.463.4171.90112L522 T523 N744 M766 T768 D770 V778K518-L522 PolarHBondContact O-N 2.85Å; K518-T523 WeakPolarHBondContact CE-OG1 3.29Å; K518-T523 PolarHBondContact O-N 2.99Å; K518-T523 PolarHBondContact O-OG1 3.4Å; K518-N744 PolarHBondContact NZ-ND2 3.49Å; K518-M766 HydrophobicContact CB-CG 4.25Å; K518-M766 HydrophobicContact CB-SD 4.1Å; K518-M766 HydrophobicContact CG-CE 4.35Å; K518-M766 HydrophobicContact CG-SD 3.96Å; K518-T768 HydrophobicContact CB-CG2 4.34Å; K518-D770 WeakPolarHBondContact CD-OD2 3.4Å; K518-D770 WeakPolarHBondContact CE-OD2 3.47Å; K518-D770 IonicContact NZ-OD2 3.43Å; K518-D770 PolarHBondContact NZ-OD2 3.08Å; K518-V778 HydrophobicContact CD-CG1 4.46Å; K518-V778 HydrophobicContact CD-CG2 4.45Å; K518-V778 HydrophobicContact CG-CG1 3.98Å
519T82.1Confident86Confident50 Ų5020.8 Ų20.831%0.30712%0.117SC..Iπ-helixtrans-83.1130.2-170.8-55.90000108D517 T521 T523D517-T519 PolarHBondContact OD2-N 3.49Å; T519-T521 PolarHBondContact O-N 2.84Å; T519-T523 WeakPolarHBondContact CA-OG1 3.39Å
520G80.2Confident85.9Confident1 Ų126 Ų261%0.0114%0.136CC..Iπ-helixtrans69.7-18-178.600000116.2T523 D525 K747 D900G520-T523 CarbonylContact C-O 3.46Å; G520-T523 WeakPolarHBondContact CA-O 3.35Å; G520-T523 PolarHBondContact N-O 3.26Å; G520-D525 WeakPolarHBondContact CA-OD1 3.41Å; G520-K747 PolarHBondContact O-NZ 3.21Å; G520-D900 VanDerWaalsContact C-CG 3.41Å; G520-D900 VanDerWaalsContact CA-OD2 3.28Å; G520-D900 WeakPolarHBondContact CA-OD2 3.4Å
521T87.9Confident85.8Confident0 Ų025.7 Ų25.70%014%0.135CC..Iπ-helixtrans-94.2-63.8170.3-70.80000113F516 D517 T519 G899 D900 L917 I935F516-T521 HydrophobicContact CD1-CG2 4.17Å; D517-T521 VanDerWaalsContact O-CB 3.24Å; D517-T521 WeakPolarHBondContact O-CB 3.32Å; D517-T521 WeakPolarHBondContact O-CG2 3.3Å; T519-T521 PolarHBondContact O-N 2.84Å; T521-G899 WeakPolarHBondContact OG1-CA 3.39Å; T521-D900 PolarHBondContact N-OD1 3.48Å; T521-D900 PolarHBondContact OG1-N 2.84Å; T521-D900 PolarHBondContact OG1-OD1 3.1Å; T521-L917 HydrophobicContact CG2-CD1 3.97Å; T521-I935 HydrophobicContact CG2-CG2 3.81Å
522L91Very high85.6Confident0 Ų025.8 Ų25.80%014%0.136CC..Iπ-helixtrans-87-32.2179.6-65.3173.4000112.7F516 D517 K518 K747 T750 L754 M766 M784 I935F516-L522 HydrophobicContact CB-CD1 3.99Å; F516-L522 HydrophobicContact CB-CD2 4.11Å; F516-L522 HydrophobicContact CB-CG 4.1Å; F516-L522 HydrophobicContact CD1-CD2 4.2Å; F516-L522 HydrophobicContact CG-CD2 4.16Å; D517-L522 VanDerWaalsContact O-CG 3.3Å; D517-L522 WeakPolarHBondContact O-CG 3.26Å; K518-L522 PolarHBondContact O-N 2.85Å; L522-K747 PolarHBondContact O-N 3.34Å; L522-K747 VanDerWaalsContact O-N 3.14Å; L522-T750 HydrophobicContact CB-CG2 4.2Å; L522-T750 HydrophobicContact CD2-CG2 3.61Å; L522-T750 HydrophobicContact CG-CG2 4.48Å; L522-T750 PolarHBondContact O-OG1 2.83Å; L522-L754 HydrophobicContact CD2-CD1 4.44Å; L522-M766 HydrophobicContact CD1-CE 3.77Å; L522-M766 HydrophobicContact CD1-CG 4.47Å; L522-M784 HydrophobicContact CD1-CE 4.21Å; L522-I935 HydrophobicContact CD2-CD1 3.94Å; L522-I935 HydrophobicContact CD2-CG2 4.44Å
523T87.8Confident85.5Confident0 Ų026.1 Ų26.10%014%0.137CC..BIsolated β-bridgetrans-107160.3178.953.80000110.7K518 T519 G520 N744 K745 L746 K747 V778K518-T523 WeakPolarHBondContact CE-OG1 3.29Å; K518-T523 PolarHBondContact O-N 2.99Å; K518-T523 PolarHBondContact O-OG1 3.4Å; T519-T523 WeakPolarHBondContact CA-OG1 3.39Å; G520-T523 CarbonylContact C-O 3.46Å; G520-T523 WeakPolarHBondContact CA-O 3.35Å; G520-T523 PolarHBondContact N-O 3.26Å; T523-N744 HydrophobicContact CG2-CB 4.1Å; T523-K745 CarbonylContact C-O 3.52Å; T523-K745 WeakPolarHBondContact CA-O 3.21Å; T523-K745 WeakPolarHBondContact CB-O 3.48Å; T523-L746 HydrophobicContact CG2-CD2 3.94Å; T523-K747 WeakPolarHBondContact O-CE 3.48Å; T523-V778 HydrophobicContact CG2-CG1 4.24Å
524E84.2Confident85.2Confident72 Ų7227.3 Ų27.334%0.33614%0.142SC..  trans-63.6156.1175.1-66.5178.4-172.500111.5G526 K745 K747E524-G526 VanDerWaalsContact C-N 3.31Å; E524-G526 PolarHBondContact O-N 3.16Å; E524-K745 PolarHBondContact N-O 3.34Å; E524-K745 IonicContact OE1-NZ 4Å; E524-K745 PolarHBondContact OE1-NZ 2.99Å; E524-K745 IonicContact OE2-NZ 2.95Å; E524-K747 HydrophobicContact CG-CG 3.97Å
525D67.6Low84.8Confident117 Ų11728.1 Ų28.163%0.62615%0.146SC*.SBendtrans-77.279.6175.8-72.3-46.5000109.8G520G520-D525 WeakPolarHBondContact CA-OD1 3.41Å
526G66.7Low84Confident29 Ų2933.5 Ų33.530%0.29917%0.172SC..SBendtrans164.716718000000114.4E524E524-G526 VanDerWaalsContact C-N 3.31Å; E524-G526 PolarHBondContact O-N 3.16Å
527L75.1Confident82.8Confident9 Ų937.7 Ų37.75%0.04722%0.215CC..  trans-121.7125.1173.8-77.3152.8000108.1L579 K582 R704 M742 N744L527-L579 HydrophobicContact CD1-CB 3.71Å; L527-L579 HydrophobicContact CD1-CD1 4.04Å; L527-L579 HydrophobicContact CD1-CG 4.08Å; L527-K582 WeakPolarHBondContact O-CD 3.36Å; L527-K582 VanDerWaalsContact O-CG 3.24Å; L527-K582 WeakPolarHBondContact O-CG 3.39Å; L527-R704 HydrophobicContact CD2-CB 4.28Å; L527-M742 HydrophobicContact CB-CB 4.45Å; L527-M742 HydrophobicContact CB-SD 4.12Å; L527-M742 HydrophobicContact CD1-SD 4.18Å; L527-M742 HydrophobicContact CD2-CB 3.96Å; L527-M742 HydrophobicContact CD2-SD 4.32Å; L527-M742 HydrophobicContact CG-SD 4.45Å; L527-N744 WeakPolarHBondContact CD2-OD1 3.42Å
528D81.4Confident81.9Confident77 Ų7738.4 Ų38.441%0.41222%0.224SC..EExtended strand (participates in β ladder)trans-94.1134.3173.1-70-36.3000109.6W530 M742 Q743D528-W530 PolarHBondContact O-N 3.46Å; D528-M742 CarbonylContact O-C 3.39Å; D528-M742 WeakPolarHBondContact O-CA 3.4Å; D528-Q743 PolarHBondContact N-O 3.24Å; D528-Q743 VanDerWaalsContact N-O 3.14Å; D528-Q743 PolarHBondContact O-N 3.49Å
529M83.4Confident81.5Confident54 Ų5442.4 Ų42.427%0.26625%0.251SS..EExtended strand (participates in β ladder)trans-69.8118.2172.5-81.1-70.9-62.100108.9V532 M561 A586 I740 M742M529-V532 HydrophobicContact CE-CG2 3.93Å; M529-M561 HydrophobicContact CE-CE 4.09Å; M529-A586 HydrophobicContact CE-CB 4.27Å; M529-A586 HydrophobicContact CG-CB 3.98Å; M529-I740 HydrophobicContact CE-CG2 3.63Å; M529-I740 HydrophobicContact SD-CG2 3.45Å; M529-I740 WeakPolarHBondContact SD-CG2 3.33Å; M529-M742 HydrophobicContact SD-CE 3.96Å; M529-M742 HydrophobicContact SD-CG 3.91Å
530W84.4Confident81.5Confident109 Ų10941.6 Ų41.641%0.41324%0.243SC..EExtended strand (participates in β ladder)trans-93.3-39.8177.3-175.188.5000111.4D528 Y698 F703 I741D528-W530 PolarHBondContact O-N 3.46Å; W530-Y698 HydrophobicContact CH2-CE1 4.31Å; W530-Y698 AromaticContact CZ3-CE1 3.86Å; W530-Y698 HydrophobicContact CZ3-CE1 3.86Å; W530-F703 HydrophobicContact CB-CD1 4.4Å; W530-F703 HydrophobicContact CB-CE1 4.22Å; W530-F703 AromaticContact CD1-CE1 3.47Å; W530-F703 VanDerWaalsContact CD1-CE1 3.47Å; W530-F703 AromaticContact CD1-CZ 3.83Å; W530-F703 HydrophobicContact CD2-CE1 4.07Å; W530-F703 HydrophobicContact CD2-CZ 4.06Å; W530-F703 AromaticContact CE2-CZ 3.76Å; W530-F703 HydrophobicContact CG-CD1 4.23Å; W530-F703 AromaticContact CG-CE1 3.65Å; W530-F703 HydrophobicContact CG-CE1 3.65Å; W530-F703 HydrophobicContact CG-CZ 4.1Å; W530-F703 HydrophobicContact CZ2-CZ 4.33Å; W530-F703 AromaticContact NE1-CE1 3.76Å; W530-F703 AromaticContact NE1-CZ 3.59Å; W530-I741 HydrophobicContact CB-CG2 4.1Å; W530-I741 HydrophobicContact CD2-CG2 4.19Å; W530-I741 HydrophobicContact CE3-CB 3.99Å; W530-I741 HydrophobicContact CE3-CG2 3.71Å; W530-I741 HydrophobicContact CG-CG2 4.38Å; W530-I741 PolarHBondContact N-O 3.18Å
531G86.3Confident81.3Confident2 Ų245 Ų452%0.02126%0.258CS..EExtended strand (participates in β ladder)trans175.6176.9178.500000114.2I741G531-I741 PolarHBondContact N-O 3.04Å; G531-I741 PolarHBondContact O-N 3.43Å
532V87.4Confident80.3Confident4 Ų452 Ų522%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-125.7138.1-179.4171.40000110.4M529 R534 E544 F557M529-V532 HydrophobicContact CE-CG2 3.93Å; V532-R534 HydrophobicContact CG1-CG 3.85Å; V532-E544 PolarHBondContact N-O 3.23Å; V532-E544 PolarHBondContact O-N 2.92Å; V532-E544 VanDerWaalsContact O-N 3.08Å; V532-F557 HydrophobicContact CB-CE1 4.28Å; V532-F557 HydrophobicContact CG1-CD1 3.91Å; V532-F557 HydrophobicContact CG1-CE1 3.14Å; V532-F557 HydrophobicContact CG1-CE2 4.14Å; V532-F557 HydrophobicContact CG1-CZ 3.3Å; V532-F557 HydrophobicContact CG2-CE1 4.13Å
533Q88.1Confident79.1Confident17 Ų1754.6 Ų54.68%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-123.595.8-179.9-166.671.918.700110.3F540 H541 S543 Y698 G738 L739 I741Q533-F540 HydrophobicContact CG-CB 4.45Å; Q533-F540 HydrophobicContact CG-CD1 3.66Å; Q533-F540 HydrophobicContact CG-CE1 4.2Å; Q533-F540 HydrophobicContact CG-CG 4.27Å; Q533-H541 PolarHBondContact NE2-O 3.39Å; Q533-S543 PolarHBondContact OE1-OG 3.2Å; Q533-S543 VanDerWaalsContact OE1-OG 3.12Å; Q533-Y698 PolarHBondContact OE1-OH 3Å; Q533-G738 CarbonylContact O-C 3.58Å; Q533-G738 WeakPolarHBondContact O-CA 3.34Å; Q533-L739 HydrophobicContact CB-CB 4.21Å; Q533-L739 PolarHBondContact N-O 3.04Å; Q533-L739 PolarHBondContact O-N 3.04Å; Q533-I741 HydrophobicContact CB-CD1 3.8Å
534R88.1Confident78.2Confident25 Ų2555.9 Ų55.99%0.09432%0.319CS..EExtended strand (participates in β ladder)trans-82.5154.9-176.7-59-174.8-68.6112.64.5112V532 E536 H541 E544 F557V532-R534 HydrophobicContact CG1-CG 3.85Å; R534-E536 IonicContact CZ-OE1 3.52Å; R534-E536 IonicContact NH1-OE1 2.95Å; R534-E536 PolarHBondContact NH1-OE1 2.99Å; R534-H541 PolarHBondContact O-N 3.41Å; R534-E544 IonicContact CZ-OE1 2.7Å; R534-E544 IonicContact CZ-OE2 3.92Å; R534-E544 IonicContact NE-OE1 2.6Å; R534-E544 IonicContact NE-OE2 2.79Å; R534-E544 PolarHBondContact NE-OE2 2.71Å; R534-E544 IonicContact NH2-OE1 2.94Å; R534-E544 PolarHBondContact NH2-OE1 2.98Å; R534-E544 IonicContact NH2-OE2 3.17Å; R534-E544 PolarHBondContact NH2-OE2 3.46Å; R534-F557 HydrophobicContact CG-CD1 4.37Å; R534-F557 HydrophobicContact CG-CD2 3.96Å; R534-F557 HydrophobicContact CG-CE2 4.31Å; R534-F557 HydrophobicContact CG-CG 4.02Å
535V85.9Confident77.1Confident19 Ų1961.4 Ų61.412%0.11535%0.345CS..EExtended strand (participates in β ladder)trans-114.8126.1173.3174.40000109.7C539 F540 P688 F736 L737V535-C539 WeakPolarHBondContact CA-O 3.42Å; V535-F540 HydrophobicContact CG2-CD1 3.45Å; V535-F540 VanDerWaalsContact CG2-CD1 3.45Å; V535-F540 HydrophobicContact CG2-CE1 3.6Å; V535-F540 HydrophobicContact CG2-CG 4.31Å; V535-P688 HydrophobicContact CB-CG 4.38Å; V535-P688 HydrophobicContact CG1-CG 3.81Å; V535-P688 HydrophobicContact CG2-CG 3.56Å; V535-F736 HydrophobicContact CB-CD1 4.24Å; V535-F736 HydrophobicContact CG2-CD1 3.78Å; V535-F736 HydrophobicContact CG2-CE1 3.74Å; V535-L737 PolarHBondContact N-O 2.91Å
536E79.2Confident76.7Confident113 Ų11358.2 Ų58.253%0.52833%0.332SS..EExtended strand (participates in β ladder)trans-132.5129.6173.9-71.4179.8-167.800108.5R534 G538 C539R534-E536 IonicContact CZ-OE1 3.52Å; R534-E536 IonicContact NH1-OE1 2.95Å; R534-E536 PolarHBondContact NH1-OE1 2.99Å; E536-G538 VanDerWaalsContact C-N 3.26Å; E536-G538 PolarHBondContact O-N 3.13Å; E536-C539 PolarHBondContact N-O 2.86Å; E536-C539 PolarHBondContact O-N 2.84Å
537G71.9Confident76.4Confident88 Ų8857.2 Ų57.291%0.90732%0.321SS*.THydrogen-bonded Turntrans62.326.2179.600000115.2C539G537-C539 VanDerWaalsContact C-N 3.31Å; G537-C539 PolarHBondContact O-N 3.46Å
538G73.3Confident75.5Confident21 Ų2160.3 Ų60.322%0.21634%0.335CS..THydrogen-bonded Turntrans79.57.8-178.200000114.6E536 P688E536-G538 VanDerWaalsContact C-N 3.26Å; E536-G538 PolarHBondContact O-N 3.13Å; G538-P688 WeakPolarHBondContact O-CA 3.24Å; G538-P688 WeakPolarHBondContact O-CB 3.3Å
539C80.4Confident74.6Confident83 Ų8361.8 Ų61.856%0.56134%0.338SS*.EExtended strand (participates in β ladder)trans-120.5148.4176.7-70.40000111V535 E536 G537V535-C539 WeakPolarHBondContact CA-O 3.42Å; E536-C539 PolarHBondContact N-O 2.86Å; E536-C539 PolarHBondContact O-N 2.84Å; G537-C539 VanDerWaalsContact C-N 3.31Å; G537-C539 PolarHBondContact O-N 3.46Å
540F81.9Confident73.4Confident33 Ų3365.2 Ų65.215%0.14535%0.353CS..EExtended strand (participates in β ladder)trans-72.4131.1171-72.5-66.6000111.3Q533 V535 P688 N690 F691 V694 F736 L739Q533-F540 HydrophobicContact CG-CB 4.45Å; Q533-F540 HydrophobicContact CG-CD1 3.66Å; Q533-F540 HydrophobicContact CG-CE1 4.2Å; Q533-F540 HydrophobicContact CG-CG 4.27Å; V535-F540 HydrophobicContact CG2-CD1 3.45Å; V535-F540 VanDerWaalsContact CG2-CD1 3.45Å; V535-F540 HydrophobicContact CG2-CE1 3.6Å; V535-F540 HydrophobicContact CG2-CG 4.31Å; F540-P688 HydrophobicContact CD1-CG 4.24Å; F540-P688 HydrophobicContact CD2-CB 3.83Å; F540-P688 HydrophobicContact CD2-CG 3.95Å; F540-P688 HydrophobicContact CE1-CG 4.12Å; F540-P688 HydrophobicContact CE2-CB 3.72Å; F540-P688 HydrophobicContact CE2-CG 3.82Å; F540-P688 HydrophobicContact CG-CB 4.48Å; F540-P688 HydrophobicContact CG-CG 4.16Å; F540-P688 HydrophobicContact CZ-CB 4.28Å; F540-P688 HydrophobicContact CZ-CG 3.92Å; F540-N690 VanDerWaalsContact CD2-OD1 3.24Å; F540-N690 WeakPolarHBondContact CD2-OD1 3.36Å; F540-F691 HydrophobicContact CE2-CB 4.48Å; F540-F691 HydrophobicContact CZ-CB 4.44Å; F540-F691 HydrophobicContact CZ-CD2 4.07Å; F540-V694 HydrophobicContact CD2-CB 4.37Å; F540-V694 HydrophobicContact CD2-CG1 4.49Å; F540-V694 HydrophobicContact CD2-CG2 3.87Å; F540-V694 HydrophobicContact CE2-CB 3.86Å; F540-V694 HydrophobicContact CE2-CG1 4.16Å; F540-V694 HydrophobicContact CE2-CG2 3.79Å; F540-V694 HydrophobicContact CZ-CB 4.34Å; F540-V694 HydrophobicContact CZ-CG1 4.3Å; F540-F736 HydrophobicContact CE1-CE1 4.37Å; F540-L739 HydrophobicContact CE1-CD1 4Å; F540-L739 HydrophobicContact CE1-CG 4.25Å; F540-L739 HydrophobicContact CZ-CD1 4.07Å
541H74.8Confident72.3Confident73 Ų7367.5 Ų67.534%0.33837%0.373SS..PPolyproline II helixtrans-79163.8172.1-164.7-80.7000111.1Q533 R534Q533-H541 PolarHBondContact NE2-O 3.39Å; R534-H541 PolarHBondContact O-N 3.41Å
542L67.3Low71.4Confident148 Ų14867.9 Ų67.978%0.77538%0.375SS*.PPolyproline II helixtrans-53.7139.8173.3-79.2156.5000111.6E544L542-E544 PolarHBondContact O-N 3.38Å
543S65.1Low70.6Confident53 Ų5368 Ų6837%0.37138%0.376SS..PPolyproline II helixtrans-61.8129.7-179.9-154.10000110.8Q533Q533-S543 PolarHBondContact OE1-OG 3.2Å; Q533-S543 VanDerWaalsContact OE1-OG 3.12Å
544E69.7Low69.8Low27 Ų2772.9 Ų72.913%0.12640%0.397CS..BIsolated β-bridgetrans-109.2128.6-179.1-70.8171.3158.500110V532 R534 L542 S546 L552V532-E544 PolarHBondContact N-O 3.23Å; V532-E544 PolarHBondContact O-N 2.92Å; V532-E544 VanDerWaalsContact O-N 3.08Å; R534-E544 IonicContact CZ-OE1 2.7Å; R534-E544 IonicContact CZ-OE2 3.92Å; R534-E544 IonicContact NE-OE1 2.6Å; R534-E544 IonicContact NE-OE2 2.79Å; R534-E544 PolarHBondContact NE-OE2 2.71Å; R534-E544 IonicContact NH2-OE1 2.94Å; R534-E544 PolarHBondContact NH2-OE1 2.98Å; R534-E544 IonicContact NH2-OE2 3.17Å; R534-E544 PolarHBondContact NH2-OE2 3.46Å; L542-E544 PolarHBondContact O-N 3.38Å; E544-S546 VanDerWaalsContact C-N 3.3Å; E544-S546 PolarHBondContact O-N 3.05Å; E544-L552 VanDerWaalsContact OE2-CD1 3.27Å; E544-L552 WeakPolarHBondContact OE2-CD1 3.5Å
545E60.5Low69.6Low188 Ų18872.9 Ų72.988%0.87940%0.401SS*.SBendtrans-70.8-20.7-178.8-67.7-178.1167.800113.5
546S59.8Low69.6Low51 Ų5175.2 Ų75.236%0.35741%0.41SS..  trans-146.8133.4-174.765.70000112.9E544E544-S546 VanDerWaalsContact C-N 3.3Å; E544-S546 PolarHBondContact O-N 3.05Å
547A60.2Low70.1Confident8 Ų870.2 Ų70.27%0.06639%0.387CS..THydrogen-bonded Turntrans-81.5-7.8179.600000114.5K549 M561A547-K549 PolarHBondContact O-N 3.13Å; A547-M561 HydrophobicContact CB-SD 4.45Å
548H57.3Low70.8Confident73 Ų7366.2 Ų66.234%0.33834%0.344SS..THydrogen-bonded Turntrans-84.112.7-175.5-52.186.9000116.5E585 A586 T587 G588H548-E585 PolarHBondContact NE2-O 3.27Å; H548-A586 PolarHBondContact CE1-O 3.05Å; H548-A586 PolarHBondContact ND1-O 2.92Å; H548-A586 VanDerWaalsContact NE2-C 3.31Å; H548-A586 PolarHBondContact NE2-O 3.29Å; H548-A586 VanDerWaalsContact NE2-O 3.14Å; H548-T587 PolarHBondContact CD2-O 2.65Å; H548-T587 VanDerWaalsContact NE2-C 3.31Å; H548-G588 PolarHBondContact CD2-N 3.23Å; H548-G588 PolarHBondContact NE2-N 3.07Å; H548-G588 VanDerWaalsContact NE2-N 3.12Å
549K62.5Low71.5Confident109 Ų10965.2 Ų65.247%0.47433%0.334SS..  trans-68.4138177.8-65.8179.3-179172.50110.3A547 N551 L552A547-K549 PolarHBondContact O-N 3.13Å; K549-N551 PolarHBondContact O-N 3.31Å; K549-L552 HydrophobicContact CB-CD1 3.97Å; K549-L552 HydrophobicContact CB-CG 4.27Å; K549-L552 HydrophobicContact CD-CD1 4.44Å; K549-L552 HydrophobicContact CG-CD1 4.49Å; K549-L552 WeakPolarHBondContact O-CB 3.46Å; K549-L552 PolarHBondContact O-N 2.97Å
550E56.8Low72Confident125 Ų12561.2 Ų61.258%0.58431%0.307SS*.THydrogen-bonded Turntrans-50.2-36.9-176.3-70.1177.7175.800113.9L552E550-L552 VanDerWaalsContact C-N 3.27Å; E550-L552 PolarHBondContact O-N 3.4Å
551N61.5Low72.4Confident158 Ų15859.7 Ų59.785%0.84530%0.3SS*.THydrogen-bonded Turntrans-70.2-17.9178.6-65.2-15.5000114.2K549K549-N551 PolarHBondContact O-N 3.31Å
552L67.8Low73.1Confident10 Ų1056.2 Ų56.25%0.05228%0.284CS..THydrogen-bonded Turntrans-98.7-17.7-174.6-62.6173.6000113.4E544 K549 E550 K554 S555 V558E544-L552 VanDerWaalsContact OE2-CD1 3.27Å; E544-L552 WeakPolarHBondContact OE2-CD1 3.5Å; K549-L552 HydrophobicContact CB-CD1 3.97Å; K549-L552 HydrophobicContact CB-CG 4.27Å; K549-L552 HydrophobicContact CD-CD1 4.44Å; K549-L552 HydrophobicContact CG-CD1 4.49Å; K549-L552 WeakPolarHBondContact O-CB 3.46Å; K549-L552 PolarHBondContact O-N 2.97Å; E550-L552 VanDerWaalsContact C-N 3.27Å; E550-L552 PolarHBondContact O-N 3.4Å; L552-K554 VanDerWaalsContact C-N 3.25Å; L552-K554 PolarHBondContact O-N 3.26Å; L552-S555 VanDerWaalsContact O-CB 3.24Å; L552-S555 WeakPolarHBondContact O-CB 3.35Å; L552-S555 PolarHBondContact O-N 3.11Å; L552-S555 PolarHBondContact O-OG 3.04Å; L552-V558 HydrophobicContact CB-CG2 4.2Å; L552-V558 WeakPolarHBondContact O-CB 3.31Å; L552-V558 WeakPolarHBondContact O-CG2 3.46Å
553V69.8Low74.2Confident7 Ų749.1 Ų49.14%0.04225%0.247CC..THydrogen-bonded Turntrans-58-37.4-173.1-178.30000111.7W589 P612 L616V553-W589 WeakPolarHBondContact O-CZ2 3.31Å; V553-P612 HydrophobicContact CG1-CB 3.73Å; V553-P612 HydrophobicContact CG1-CG 4.38Å; V553-L616 HydrophobicContact CG2-CB 4.44Å
554K71.9Confident75.4Confident119 Ų11946.6 Ų46.652%0.51723%0.23SC..THydrogen-bonded Turntrans-91.77.1177.9-64.7-172.4179.3-176.30114.4L552 Y638L552-K554 VanDerWaalsContact C-N 3.25Å; L552-K554 PolarHBondContact O-N 3.26Å; K554-Y638 HydrophobicContact CG-CD1 4.32Å; K554-Y638 HydrophobicContact CG-CE1 4.43Å
555S83.6Confident76.4Confident25 Ų2545.3 Ų45.318%0.17522%0.224CC..SBendtrans-73.9149-17971.80000111.7L552 F557 V558 A559L552-S555 VanDerWaalsContact O-CB 3.24Å; L552-S555 WeakPolarHBondContact O-CB 3.35Å; L552-S555 PolarHBondContact O-N 3.11Å; L552-S555 PolarHBondContact O-OG 3.04Å; S555-F557 PolarHBondContact O-N 2.85Å; S555-F557 VanDerWaalsContact O-N 3.16Å; S555-V558 PolarHBondContact O-N 2.8Å; S555-V558 WeakPolarHBondContact OG-CG2 3.38Å; S555-V558 PolarHBondContact OG-N 2.79Å; S555-A559 WeakPolarHBondContact O-CB 3.46Å; S555-A559 PolarHBondContact O-N 2.8Å
556Q87Confident77.5Confident67 Ų6738.4 Ų38.431%0.31320%0.196SC..Hα-helixtrans-59.2-25.6173.1-66.4-65.9-21.400112.3C560 Y670 L737Q556-C560 VanDerWaalsContact O-CB 3.29Å; Q556-C560 WeakPolarHBondContact O-CB 3.33Å; Q556-C560 PolarHBondContact O-N 2.87Å; Q556-Y670 PolarHBondContact OE1-OH 3.1Å; Q556-L737 HydrophobicContact CB-CD2 3.92Å
557F88.6Confident78.7Confident9 Ų936.1 Ų36.14%0.03918%0.18CC..Hα-helixtrans-67.1-52175.8-167.7-81000112.1V532 R534 S555 C560 M561 L708 L737 I740V532-F557 HydrophobicContact CB-CE1 4.28Å; V532-F557 HydrophobicContact CG1-CD1 3.91Å; V532-F557 HydrophobicContact CG1-CE1 3.14Å; V532-F557 HydrophobicContact CG1-CE2 4.14Å; V532-F557 HydrophobicContact CG1-CZ 3.3Å; V532-F557 HydrophobicContact CG2-CE1 4.13Å; R534-F557 HydrophobicContact CG-CD1 4.37Å; R534-F557 HydrophobicContact CG-CD2 3.96Å; R534-F557 HydrophobicContact CG-CE2 4.31Å; R534-F557 HydrophobicContact CG-CG 4.02Å; S555-F557 PolarHBondContact O-N 2.85Å; S555-F557 VanDerWaalsContact O-N 3.16Å; F557-C560 WeakPolarHBondContact O-CB 3.22Å; F557-C560 PolarHBondContact O-N 3.44Å; F557-M561 HydrophobicContact CD1-CG 4.36Å; F557-M561 HydrophobicContact CD1-SD 3.89Å; F557-M561 HydrophobicContact CE1-CG 4.08Å; F557-M561 HydrophobicContact CE1-SD 3.45Å; F557-M561 WeakPolarHBondContact CE1-SD 3.34Å; F557-M561 PolarHBondContact O-N 3.46Å; F557-M561 VanDerWaalsContact O-N 3.08Å; F557-L708 HydrophobicContact CD1-CD1 4.2Å; F557-L708 HydrophobicContact CD2-CD1 4.07Å; F557-L708 HydrophobicContact CE1-CD1 3.8Å; F557-L708 HydrophobicContact CE2-CB 4.4Å; F557-L708 HydrophobicContact CE2-CD1 3.68Å; F557-L708 HydrophobicContact CE2-CG 4.29Å; F557-L708 HydrophobicContact CG-CD1 4.3Å; F557-L708 HydrophobicContact CZ-CD1 3.51Å; F557-L708 HydrophobicContact CZ-CG 4.3Å; F557-L737 HydrophobicContact CD2-CB 3.95Å; F557-I740 HydrophobicContact CE1-CG1 4.42Å; F557-I740 HydrophobicContact CZ-CG1 3.98Å
558V87.2Confident79.7Confident3 Ų336.3 Ų36.32%0.01818%0.18CC..Hα-helixtrans-68.7-38.3178.7175.30000110.9L552 S555 C560 M561 A562 T587 W589L552-V558 HydrophobicContact CB-CG2 4.2Å; L552-V558 WeakPolarHBondContact O-CB 3.31Å; L552-V558 WeakPolarHBondContact O-CG2 3.46Å; S555-V558 PolarHBondContact O-N 2.8Å; S555-V558 WeakPolarHBondContact OG-CG2 3.38Å; S555-V558 PolarHBondContact OG-N 2.79Å; V558-C560 VanDerWaalsContact C-N 3.27Å; V558-C560 PolarHBondContact O-N 2.75Å; V558-M561 PolarHBondContact O-N 2.8Å; V558-A562 WeakPolarHBondContact O-CB 3.36Å; V558-A562 PolarHBondContact O-N 3.1Å; V558-T587 HydrophobicContact CG1-CG2 4.18Å; V558-W589 HydrophobicContact CG1-CZ2 4.38Å
559A88.7Confident80.7Confident0 Ų036.9 Ų36.90%018%0.182CC..Hα-helixtrans-58-39.8172.400000112S555 A562 T563 I640 Y670S555-A559 WeakPolarHBondContact O-CB 3.46Å; S555-A559 PolarHBondContact O-N 2.8Å; A559-A562 PolarHBondContact O-N 3.32Å; A559-T563 WeakPolarHBondContact O-CB 3.39Å; A559-T563 VanDerWaalsContact O-CG2 3.26Å; A559-T563 WeakPolarHBondContact O-CG2 3.49Å; A559-T563 PolarHBondContact O-N 2.81Å; A559-T563 PolarHBondContact O-OG1 2.9Å; A559-I640 HydrophobicContact CB-CD1 3.76Å; A559-Y670 HydrophobicContact CB-CE1 4.38Å; A559-Y670 HydrophobicContact CB-CE2 4.44Å
560C90.8Very high81.3Confident0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-63.8-46.4174.3-171.90000112Q556 F557 V558 A562 T563 C564 Y670 L708 L737Q556-C560 VanDerWaalsContact O-CB 3.29Å; Q556-C560 WeakPolarHBondContact O-CB 3.33Å; Q556-C560 PolarHBondContact O-N 2.87Å; F557-C560 WeakPolarHBondContact O-CB 3.22Å; F557-C560 PolarHBondContact O-N 3.44Å; V558-C560 VanDerWaalsContact C-N 3.27Å; V558-C560 PolarHBondContact O-N 2.75Å; C560-A562 VanDerWaalsContact C-N 3.33Å; C560-A562 PolarHBondContact O-N 2.87Å; C560-T563 PolarHBondContact O-N 2.94Å; C560-C564 WeakPolarHBondContact O-CB 3.43Å; C560-C564 PolarHBondContact O-N 3.33Å; C560-Y670 HydrophobicContact CB-CD1 3.54Å; C560-Y670 HydrophobicContact CB-CE1 4.15Å; C560-Y670 HydrophobicContact CB-CG 4.09Å; C560-L708 HydrophobicContact CB-CD1 4.14Å; C560-L737 HydrophobicContact CB-CD1 3.81Å
561M90.1Very high82Confident0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-60.9-40.5175.7-70.8178.872.100112.4M529 A547 F557 V558 M583 A586 T587 L708 I740M529-M561 HydrophobicContact CE-CE 4.09Å; A547-M561 HydrophobicContact CB-SD 4.45Å; F557-M561 HydrophobicContact CD1-CG 4.36Å; F557-M561 HydrophobicContact CD1-SD 3.89Å; F557-M561 HydrophobicContact CE1-CG 4.08Å; F557-M561 HydrophobicContact CE1-SD 3.45Å; F557-M561 WeakPolarHBondContact CE1-SD 3.34Å; F557-M561 PolarHBondContact O-N 3.46Å; F557-M561 VanDerWaalsContact O-N 3.08Å; V558-M561 PolarHBondContact O-N 2.8Å; M561-M583 HydrophobicContact CB-CG 3.91Å; M561-M583 HydrophobicContact CB-SD 4.25Å; M561-M583 HydrophobicContact CE-CG 3.63Å; M561-M583 HydrophobicContact CG-CG 3.98Å; M561-M583 HydrophobicContact CG-SD 4.22Å; M561-M583 VanDerWaalsContact O-CE 3.26Å; M561-M583 WeakPolarHBondContact O-CE 3.34Å; M561-A586 HydrophobicContact CE-CB 4.37Å; M561-T587 HydrophobicContact CB-CG2 3.58Å; M561-T587 HydrophobicContact CE-CG2 4.27Å; M561-T587 HydrophobicContact SD-CG2 4.49Å; M561-L708 HydrophobicContact CG-CD1 3.77Å; M561-I740 HydrophobicContact CE-CD1 4.29Å; M561-I740 HydrophobicContact CG-CD1 3.95Å; M561-I740 HydrophobicContact SD-CD1 4.36Å
562A89.3Confident82.6Confident0 Ų031.7 Ų31.70%017%0.169CC..Hα-helixtrans-76.2-26.5-177.600000113.4V558 A559 C560 H565 F584 T587 W589V558-A562 WeakPolarHBondContact O-CB 3.36Å; V558-A562 PolarHBondContact O-N 3.1Å; A559-A562 PolarHBondContact O-N 3.32Å; C560-A562 VanDerWaalsContact C-N 3.33Å; C560-A562 PolarHBondContact O-N 2.87Å; A562-H565 PolarHBondContact O-CD2 3.44Å; A562-H565 PolarHBondContact O-NE2 2.94Å; A562-F584 WeakPolarHBondContact O-CE2 3.23Å; A562-T587 HydrophobicContact CB-CG2 4.38Å; A562-W589 HydrophobicContact CB-CB 4.28Å; A562-W589 HydrophobicContact CB-CD2 3.66Å; A562-W589 HydrophobicContact CB-CE3 3.65Å; A562-W589 HydrophobicContact CB-CG 3.97Å; A562-W589 HydrophobicContact CB-CZ3 4.18Å
563T89.9Confident83.2Confident0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-105.9-31.4-174.857.60000113.9A559 C560 H565 V610 I640 Y670A559-T563 WeakPolarHBondContact O-CB 3.39Å; A559-T563 VanDerWaalsContact O-CG2 3.26Å; A559-T563 WeakPolarHBondContact O-CG2 3.49Å; A559-T563 PolarHBondContact O-N 2.81Å; A559-T563 PolarHBondContact O-OG1 2.9Å; C560-T563 PolarHBondContact O-N 2.94Å; T563-H565 VanDerWaalsContact C-N 3.29Å; T563-H565 PolarHBondContact O-N 2.95Å; T563-V610 HydrophobicContact CG2-CG2 3.54Å; T563-I640 HydrophobicContact CG2-CB 4.03Å; T563-I640 HydrophobicContact CG2-CD1 4.13Å; T563-I640 HydrophobicContact CG2-CG2 3.62Å; T563-Y670 WeakPolarHBondContact OG1-CD2 3.34Å
564C91.3Very high83.9Confident0 Ų040.6 Ų40.60%021%0.211CC..SBendtrans-85.467.9-173.2-1600000110.5C560 M583 V657 K672C560-C564 WeakPolarHBondContact O-CB 3.43Å; C560-C564 PolarHBondContact O-N 3.33Å; C564-M583 WeakPolarHBondContact O-CE 3.23Å; C564-V657 HydrophobicContact CB-CG2 4.43Å; C564-K672 HydrophobicContact CB-CD 4.48Å; C564-K672 VanDerWaalsContact O-CD 3.28Å; C564-K672 WeakPolarHBondContact O-CD 3.48Å; C564-K672 WeakPolarHBondContact O-CE 3.21Å; C564-K672 PolarHBondContact O-NZ 3.17Å
565H89.1Confident84.4Confident0 Ų036.4 Ų36.40%020%0.197CC..  trans-144164.8-179.665.564.5000113.1A562 T563 L567 D580 M583 F584 Q645A562-H565 PolarHBondContact O-CD2 3.44Å; A562-H565 PolarHBondContact O-NE2 2.94Å; T563-H565 VanDerWaalsContact C-N 3.29Å; T563-H565 PolarHBondContact O-N 2.95Å; H565-L567 HydrophobicContact CB-CD1 4.47Å; H565-L567 HydrophobicContact CB-CG 4.13Å; H565-L567 WeakPolarHBondContact ND1-CB 3.44Å; H565-L567 PolarHBondContact ND1-N 3.31Å; H565-L567 VanDerWaalsContact ND1-N 3.13Å; H565-D580 VanDerWaalsContact CA-OD2 3.3Å; H565-D580 WeakPolarHBondContact CA-OD2 3.28Å; H565-D580 HydrophobicContact CB-CB 4.07Å; H565-M583 HydrophobicContact CB-CE 4.36Å; H565-F584 AromaticContact CD2-CD2 3.61Å; H565-F584 AromaticContact NE2-CD2 3.67Å; H565-F584 AromaticContact NE2-CE2 3.65Å; H565-Q645 PolarHBondContact O-NE2 3.28Å
566S84.1Confident84.2Confident43 Ų4335.8 Ų35.830%0.30119%0.194SC..  trans-103.412.6172.4-43.80000113.5D580 M655S566-D580 PolarHBondContact N-OD2 2.99Å; S566-M655 WeakPolarHBondContact OG-CE 3.48Å
567L86.1Confident83.8Confident3 Ų336.2 Ų36.22%0.01620%0.199CC..  trans-61.3144.4-179.9-57.5176.1000112.2H565 L574 D580 L581 F584 L591H565-L567 HydrophobicContact CB-CD1 4.47Å; H565-L567 HydrophobicContact CB-CG 4.13Å; H565-L567 WeakPolarHBondContact ND1-CB 3.44Å; H565-L567 PolarHBondContact ND1-N 3.31Å; H565-L567 VanDerWaalsContact ND1-N 3.13Å; L567-L574 HydrophobicContact CB-CD2 4.4Å; L567-D580 HydrophobicContact CD2-CB 3.83Å; L567-D580 HydrophobicContact CG-CB 3.99Å; L567-L581 HydrophobicContact CD2-CB 4.22Å; L567-L581 HydrophobicContact CD2-CD1 4.38Å; L567-F584 HydrophobicContact CD1-CB 3.41Å; L567-F584 VanDerWaalsContact CD1-CB 3.41Å; L567-F584 HydrophobicContact CD1-CD1 4.16Å; L567-F584 HydrophobicContact CD1-CD2 4.23Å; L567-F584 HydrophobicContact CD1-CG 3.68Å; L567-L591 HydrophobicContact CB-CD2 4.28Å
568T80.3Confident83.2Confident11 Ų1138.5 Ų38.57%0.06722%0.215CC..EExtended strand (participates in β ladder)trans-135.5160.1175.256.60000109.3I335 S575I335-T568 HydrophobicContact CD1-CG2 4.37Å; T568-S575 PolarHBondContact N-O 3.35Å; T568-S575 PolarHBondContact O-N 2.89Å
569K79.1Confident83.1Confident86 Ų8639 Ų3937%0.37422%0.217SC..EExtended strand (participates in β ladder)trans-102.9113.9178.7-161175.4-171.1175.20109.3G572 Q573 E593K569-G572 WeakPolarHBondContact CE-O 3.23Å; K569-Q573 CarbonylContact C-O 3.4Å; K569-Q573 WeakPolarHBondContact CA-O 3.34Å; K569-E593 PolarHBondContact N-OE2 2.98Å
570I74.2Confident83Confident27 Ų2739.4 Ų39.414%0.13822%0.219CC..EExtended strand (participates in β ladder)trans-111.4122.4177.8-56.5176.7000107.4I335 P347 I385 G572 Q573I335-I570 HydrophobicContact CG2-CD1 4.09Å; P347-I570 HydrophobicContact CB-CD1 4Å; P347-I570 HydrophobicContact CG-CD1 3.8Å; I385-I570 HydrophobicContact CD1-CD1 4.07Å; I385-I570 HydrophobicContact CG2-CG2 3.98Å; I570-G572 PolarHBondContact O-N 3.14Å; I570-Q573 PolarHBondContact N-O 3.46Å; I570-Q573 PolarHBondContact O-N 3.18Å
571E72.6Confident82.8Confident202 Ų20241.2 Ų41.294%0.94423%0.229SC*.THydrogen-bonded Turntrans51.628.8-177.5-61.4-177.8174.600114.1
572G73.5Confident82.6Confident53 Ų5344.6 Ų44.655%0.54624%0.244SC..THydrogen-bonded Turntrans89.4-9.7-178.400000115.4K569 I570K569-G572 WeakPolarHBondContact CE-O 3.23Å; I570-G572 PolarHBondContact O-N 3.14Å
573Q81.2Confident82.6Confident152 Ų15244.6 Ų44.671%0.7124%0.244SC*.EExtended strand (participates in β ladder)trans-98.4141.2177.5-170.4174.2-0.900111.5K569 I570 S575K569-Q573 CarbonylContact C-O 3.4Å; K569-Q573 WeakPolarHBondContact CA-O 3.34Å; I570-Q573 PolarHBondContact N-O 3.46Å; I570-Q573 PolarHBondContact O-N 3.18Å; Q573-S575 PolarHBondContact O-N 3.3Å
574L83.5Confident82.6Confident52 Ų5244.8 Ų44.827%0.27224%0.244SC..EExtended strand (participates in β ladder)trans-68.6129.7172.9-77.4166.5000110.5L567 L581 F584 L591L567-L574 HydrophobicContact CB-CD2 4.4Å; L574-L581 HydrophobicContact CB-CD1 4.09Å; L574-F584 HydrophobicContact CD1-CD1 3.81Å; L574-F584 HydrophobicContact CD1-CE1 3.78Å; L574-L591 HydrophobicContact CD2-CB 3.9Å; L574-L591 HydrophobicContact CD2-CD2 3.49Å; L574-L591 VanDerWaalsContact CD2-CD2 3.49Å; L574-L591 HydrophobicContact CD2-CG 4.33Å
575S81.8Confident82.4Confident31 Ų3149 Ų4922%0.21726%0.264CS..EExtended strand (participates in β ladder)trans-137.8142178.6-161.90000111.2P347 T568 Q573P347-S575 WeakPolarHBondContact CD-OG 3.38Å; P347-S575 WeakPolarHBondContact CG-OG 3.44Å; T568-S575 PolarHBondContact N-O 3.35Å; T568-S575 PolarHBondContact O-N 2.89Å; Q573-S575 PolarHBondContact O-N 3.3Å
576G79.3Confident82.2Confident12 Ų1249.8 Ų49.812%0.12427%0.271CS..SBendtrans156.3-163.1179.300000111.5V346V346-G576 WeakPolarHBondContact CG1-O 3.43Å
577D78.6Confident82.2Confident76 Ų7648 Ų4841%0.40626%0.257SS..  trans-57132.5-178.1-170.6-68.2000111.2L579 D580 L581D577-L579 PolarHBondContact O-N 3.07Å; D577-L579 WeakPolarHBondContact OD1-CB 3.39Å; D577-L579 PolarHBondContact OD1-N 3.12Å; D577-D580 HydrophobicContact CB-CB 4.16Å; D577-D580 WeakPolarHBondContact O-CA 3.46Å; D577-D580 WeakPolarHBondContact O-CB 3.42Å; D577-D580 PolarHBondContact O-N 3.33Å; D577-L581 PolarHBondContact O-N 3.41Å
578P78Confident82Confident58 Ų5849 Ų4938%0.37727%0.269SS..Hα-helixtrans-56.2-33.2-179.5-2734.5000114.1V346 L581 K582V346-P578 HydrophobicContact CG2-CG 4.34Å; P578-L581 PolarHBondContact O-N 3.09Å; P578-K582 WeakPolarHBondContact O-CB 3.29Å; P578-K582 WeakPolarHBondContact O-CG 3.32Å; P578-K582 PolarHBondContact O-N 3.05Å
579L83.1Confident82.2Confident13 Ų1349 Ų497%0.06827%0.268CS..Hα-helixtrans-63.8-46.6174.8-177.4159.5000110.5L527 D577 L581 M583 I706 M742L527-L579 HydrophobicContact CD1-CB 3.71Å; L527-L579 HydrophobicContact CD1-CD1 4.04Å; L527-L579 HydrophobicContact CD1-CG 4.08Å; D577-L579 PolarHBondContact O-N 3.07Å; D577-L579 WeakPolarHBondContact OD1-CB 3.39Å; D577-L579 PolarHBondContact OD1-N 3.12Å; L579-L581 VanDerWaalsContact C-N 3.34Å; L579-M583 WeakPolarHBondContact O-CB 3.26Å; L579-M583 PolarHBondContact O-N 3.04Å; L579-I706 HydrophobicContact CD1-CD1 3.45Å; L579-I706 VanDerWaalsContact CD1-CD1 3.45Å; L579-I706 HydrophobicContact CD2-CD1 3.61Å; L579-I706 HydrophobicContact CG-CD1 3.71Å; L579-M742 HydrophobicContact CD1-SD 4.46Å; L579-M742 HydrophobicContact CD2-CE 4.1Å; L579-M742 HydrophobicContact CG-CE 3.87Å; L579-M742 HydrophobicContact CG-SD 3.92Å
580D87.6Confident82.6Confident9 Ų948.1 Ų48.15%0.04827%0.267CS..Hα-helixtrans-66.3-40.9179.4-73.915.4000110.6H565 S566 L567 D577 M583 F584 K672H565-D580 VanDerWaalsContact CA-OD2 3.3Å; H565-D580 WeakPolarHBondContact CA-OD2 3.28Å; H565-D580 HydrophobicContact CB-CB 4.07Å; S566-D580 PolarHBondContact N-OD2 2.99Å; L567-D580 HydrophobicContact CD2-CB 3.83Å; L567-D580 HydrophobicContact CG-CB 3.99Å; D577-D580 HydrophobicContact CB-CB 4.16Å; D577-D580 WeakPolarHBondContact O-CA 3.46Å; D577-D580 WeakPolarHBondContact O-CB 3.42Å; D577-D580 PolarHBondContact O-N 3.33Å; D580-M583 PolarHBondContact O-N 3.27Å; D580-F584 VanDerWaalsContact O-CB 3.27Å; D580-F584 WeakPolarHBondContact O-CB 3.37Å; D580-F584 PolarHBondContact O-N 3.44Å; D580-K672 IonicContact OD1-NZ 2.67Å; D580-K672 PolarHBondContact OD1-NZ 2.92Å; D580-K672 IonicContact OD2-NZ 3.58Å; D580-K672 PolarHBondContact OD2-NZ 3.41Å
581L86.8Confident83.2Confident38 Ų3847 Ų4720%0.19926%0.261CS..Hα-helixtrans-60.6-51.9177.7-169.4100.6000110.2L567 L574 D577 P578 L579 M583 F584 E585L567-L581 HydrophobicContact CD2-CB 4.22Å; L567-L581 HydrophobicContact CD2-CD1 4.38Å; L574-L581 HydrophobicContact CB-CD1 4.09Å; D577-L581 PolarHBondContact O-N 3.41Å; P578-L581 PolarHBondContact O-N 3.09Å; L579-L581 VanDerWaalsContact C-N 3.34Å; L581-M583 PolarHBondContact O-N 3.13Å; L581-F584 PolarHBondContact O-N 3.46Å; L581-E585 WeakPolarHBondContact CD2-OE1 3.47Å; L581-E585 HydrophobicContact CG-CG 4.49Å; L581-E585 WeakPolarHBondContact O-CB 3.32Å; L581-E585 VanDerWaalsContact O-CG 3.26Å; L581-E585 WeakPolarHBondContact O-CG 3.4Å; L581-E585 PolarHBondContact O-N 2.88Å
582K86.4Confident83.6Confident71 Ų7141 Ų4131%0.30923%0.232SC..Hα-helixtrans-66.7-38-178.9-70.8-79.1166.2-139.20112.4L527 P578 E585 A586L527-K582 WeakPolarHBondContact O-CD 3.36Å; L527-K582 VanDerWaalsContact O-CG 3.24Å; L527-K582 WeakPolarHBondContact O-CG 3.39Å; P578-K582 WeakPolarHBondContact O-CB 3.29Å; P578-K582 WeakPolarHBondContact O-CG 3.32Å; P578-K582 PolarHBondContact O-N 3.05Å; K582-E585 IonicContact NZ-OE2 2.65Å; K582-E585 PolarHBondContact NZ-OE2 3.47Å; K582-A586 WeakPolarHBondContact O-CB 3.4Å; K582-A586 PolarHBondContact O-N 3.48Å
583M88.6Confident83.6Confident0 Ų040.1 Ų40.10%021%0.214CC..Hα-helixtrans-61.9-44.6172.9-177-17764.400111.3M561 C564 H565 L579 D580 L581 A586 T587 K672 I740M561-M583 HydrophobicContact CB-CG 3.91Å; M561-M583 HydrophobicContact CB-SD 4.25Å; M561-M583 HydrophobicContact CE-CG 3.63Å; M561-M583 HydrophobicContact CG-CG 3.98Å; M561-M583 HydrophobicContact CG-SD 4.22Å; M561-M583 VanDerWaalsContact O-CE 3.26Å; M561-M583 WeakPolarHBondContact O-CE 3.34Å; C564-M583 WeakPolarHBondContact O-CE 3.23Å; H565-M583 HydrophobicContact CB-CE 4.36Å; L579-M583 WeakPolarHBondContact O-CB 3.26Å; L579-M583 PolarHBondContact O-N 3.04Å; D580-M583 PolarHBondContact O-N 3.27Å; L581-M583 PolarHBondContact O-N 3.13Å; M583-A586 PolarHBondContact O-N 3.46Å; M583-T587 WeakPolarHBondContact O-CG2 3.36Å; M583-T587 PolarHBondContact O-N 2.9Å; M583-K672 HydrophobicContact CE-CD 4.14Å; M583-K672 HydrophobicContact SD-CD 4.35Å; M583-I740 HydrophobicContact CG-CD1 4.04Å; M583-I740 HydrophobicContact SD-CD1 3.72Å
584F89.3Confident82.8Confident3 Ų334.4 Ų34.41%0.01319%0.193CC..Hα-helixtrans-70.8-45.5-180-170.7-93.1000112.3A562 H565 L567 L574 D580 L581 A586 T587 G588 W589 L591 V610A562-F584 WeakPolarHBondContact O-CE2 3.23Å; H565-F584 AromaticContact CD2-CD2 3.61Å; H565-F584 AromaticContact NE2-CD2 3.67Å; H565-F584 AromaticContact NE2-CE2 3.65Å; L567-F584 HydrophobicContact CD1-CB 3.41Å; L567-F584 VanDerWaalsContact CD1-CB 3.41Å; L567-F584 HydrophobicContact CD1-CD1 4.16Å; L567-F584 HydrophobicContact CD1-CD2 4.23Å; L567-F584 HydrophobicContact CD1-CG 3.68Å; L574-F584 HydrophobicContact CD1-CD1 3.81Å; L574-F584 HydrophobicContact CD1-CE1 3.78Å; D580-F584 VanDerWaalsContact O-CB 3.27Å; D580-F584 WeakPolarHBondContact O-CB 3.37Å; D580-F584 PolarHBondContact O-N 3.44Å; L581-F584 PolarHBondContact O-N 3.46Å; F584-A586 PolarHBondContact O-N 2.97Å; F584-T587 WeakPolarHBondContact O-CB 3.4Å; F584-T587 PolarHBondContact O-N 2.86Å; F584-T587 PolarHBondContact O-OG1 3.07Å; F584-G588 PolarHBondContact O-N 2.89Å; F584-W589 WeakPolarHBondContact CE1-O 3.42Å; F584-W589 HydrophobicContact CE2-CB 4.35Å; F584-W589 HydrophobicContact CZ-CB 4.16Å; F584-W589 WeakPolarHBondContact CZ-O 3.46Å; F584-L591 HydrophobicContact CE1-CB 4.18Å; F584-L591 HydrophobicContact CE2-CB 4.46Å; F584-L591 HydrophobicContact CZ-CB 3.73Å; F584-V610 HydrophobicContact CE2-CG1 4.01Å; F584-V610 HydrophobicContact CZ-CG1 4.46Å
585E87.4Confident81.6Confident90 Ų9035.4 Ų35.442%0.42120%0.202SC..Hα-helixtrans-54.2-40.5172.1-74.9175.5172.100111.2H548 L581 K582 T587 G588H548-E585 PolarHBondContact NE2-O 3.27Å; L581-E585 WeakPolarHBondContact CD2-OE1 3.47Å; L581-E585 HydrophobicContact CG-CG 4.49Å; L581-E585 WeakPolarHBondContact O-CB 3.32Å; L581-E585 VanDerWaalsContact O-CG 3.26Å; L581-E585 WeakPolarHBondContact O-CG 3.4Å; L581-E585 PolarHBondContact O-N 2.88Å; K582-E585 IonicContact NZ-OE2 2.65Å; K582-E585 PolarHBondContact NZ-OE2 3.47Å; E585-T587 PolarHBondContact O-N 3.33Å; E585-G588 PolarHBondContact O-N 3.1Å; E585-G588 VanDerWaalsContact O-N 3.11Å
586A84.6Confident80.3Confident16 Ų1639.1 Ų39.113%0.13222%0.216CC..THydrogen-bonded Turntrans-68.1-10.2176.700000114.4M529 H548 M561 K582 M583 F584M529-A586 HydrophobicContact CE-CB 4.27Å; M529-A586 HydrophobicContact CG-CB 3.98Å; H548-A586 PolarHBondContact CE1-O 3.05Å; H548-A586 PolarHBondContact ND1-O 2.92Å; H548-A586 VanDerWaalsContact NE2-C 3.31Å; H548-A586 PolarHBondContact NE2-O 3.29Å; H548-A586 VanDerWaalsContact NE2-O 3.14Å; M561-A586 HydrophobicContact CE-CB 4.37Å; K582-A586 WeakPolarHBondContact O-CB 3.4Å; K582-A586 PolarHBondContact O-N 3.48Å; M583-A586 PolarHBondContact O-N 3.46Å; F584-A586 PolarHBondContact O-N 2.97Å
587T84.9Confident79.1Confident4 Ų446.2 Ų46.23%0.02525%0.245CC..THydrogen-bonded Turntrans-91.6-26.6169.969.70000112.6H548 V558 M561 A562 M583 F584 E585 W589H548-T587 PolarHBondContact CD2-O 2.65Å; H548-T587 VanDerWaalsContact NE2-C 3.31Å; V558-T587 HydrophobicContact CG1-CG2 4.18Å; M561-T587 HydrophobicContact CB-CG2 3.58Å; M561-T587 HydrophobicContact CE-CG2 4.27Å; M561-T587 HydrophobicContact SD-CG2 4.49Å; A562-T587 HydrophobicContact CB-CG2 4.38Å; M583-T587 WeakPolarHBondContact O-CG2 3.36Å; M583-T587 PolarHBondContact O-N 2.9Å; F584-T587 WeakPolarHBondContact O-CB 3.4Å; F584-T587 PolarHBondContact O-N 2.86Å; F584-T587 PolarHBondContact O-OG1 3.07Å; E585-T587 PolarHBondContact O-N 3.33Å; T587-W589 PolarHBondContact O-N 3.18Å; T587-W589 WeakPolarHBondContact OG1-CB 3.28Å; T587-W589 PolarHBondContact OG1-N 2.86Å
588G80.5Confident77.8Confident25 Ų2546.9 Ų46.926%0.25825%0.246SC..THydrogen-bonded Turntrans70.48.7-172.100000114.2H548 F584 E585 P613H548-G588 PolarHBondContact CD2-N 3.23Å; H548-G588 PolarHBondContact NE2-N 3.07Å; H548-G588 VanDerWaalsContact NE2-N 3.12Å; F584-G588 PolarHBondContact O-N 2.89Å; E585-G588 PolarHBondContact O-N 3.1Å; E585-G588 VanDerWaalsContact O-N 3.11Å; G588-P613 WeakPolarHBondContact O-CD 3.45Å; G588-P613 WeakPolarHBondContact O-CG 3.4Å
589W86.6Confident76.5Confident11 Ų1146.6 Ų46.64%0.04224%0.243CC..  trans-72.1161.7176.3-75.342.7000111.8V553 V558 A562 F584 T587 V610 P612 Y638 I640V553-W589 WeakPolarHBondContact O-CZ2 3.31Å; V558-W589 HydrophobicContact CG1-CZ2 4.38Å; A562-W589 HydrophobicContact CB-CB 4.28Å; A562-W589 HydrophobicContact CB-CD2 3.66Å; A562-W589 HydrophobicContact CB-CE3 3.65Å; A562-W589 HydrophobicContact CB-CG 3.97Å; A562-W589 HydrophobicContact CB-CZ3 4.18Å; F584-W589 WeakPolarHBondContact CE1-O 3.42Å; F584-W589 HydrophobicContact CE2-CB 4.35Å; F584-W589 HydrophobicContact CZ-CB 4.16Å; F584-W589 WeakPolarHBondContact CZ-O 3.46Å; T587-W589 PolarHBondContact O-N 3.18Å; T587-W589 WeakPolarHBondContact OG1-CB 3.28Å; T587-W589 PolarHBondContact OG1-N 2.86Å; W589-V610 HydrophobicContact CE3-CB 3.92Å; W589-V610 HydrophobicContact CE3-CG2 3.95Å; W589-V610 HydrophobicContact CZ3-CB 4.33Å; W589-V610 HydrophobicContact CZ3-CG2 3.9Å; W589-P612 HydrophobicContact CD2-CB 4.35Å; W589-P612 HydrophobicContact CZ2-CB 4.45Å; W589-Y638 AromaticContact CH2-CD1 3.74Å; W589-Y638 HydrophobicContact CH2-CD1 3.74Å; W589-Y638 AromaticContact CH2-CE1 3.5Å; W589-Y638 HydrophobicContact CH2-CE1 3.5Å; W589-Y638 VanDerWaalsContact CH2-CE1 3.5Å; W589-Y638 HydrophobicContact CZ2-CD1 4.13Å; W589-Y638 AromaticContact CZ2-CE1 3.93Å; W589-Y638 HydrophobicContact CZ2-CE1 3.93Å; W589-I640 HydrophobicContact CH2-CD1 3.8Å; W589-I640 HydrophobicContact CH2-CG1 4.41Å; W589-I640 HydrophobicContact CZ3-CD1 3.96Å; W589-I640 HydrophobicContact CZ3-CG1 4.29Å
590I86.4Confident74.9Confident68 Ų6850.1 Ų50.135%0.34927%0.274SS..EExtended strand (participates in β ladder)trans-111130.9-179.8-56.3173000108.5E592 V610 R611 P613I590-E592 HydrophobicContact CG2-CG 4.46Å; I590-V610 WeakPolarHBondContact O-CA 3.21Å; I590-R611 HydrophobicContact CB-CG 4.46Å; I590-R611 PolarHBondContact N-O 3.41Å; I590-R611 PolarHBondContact O-N 2.84Å; I590-P613 HydrophobicContact CD1-CG 4.46Å; I590-P613 HydrophobicContact CG1-CG 4.48Å
591L86.5Confident72.7Confident4 Ų456.4 Ų56.42%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-94.9121.8174.6-172.471.2000109.5L567 L574 F584 T608 V610L567-L591 HydrophobicContact CB-CD2 4.28Å; L574-L591 HydrophobicContact CD2-CB 3.9Å; L574-L591 HydrophobicContact CD2-CD2 3.49Å; L574-L591 VanDerWaalsContact CD2-CD2 3.49Å; L574-L591 HydrophobicContact CD2-CG 4.33Å; F584-L591 HydrophobicContact CE1-CB 4.18Å; F584-L591 HydrophobicContact CE2-CB 4.46Å; F584-L591 HydrophobicContact CZ-CB 3.73Å; L591-T608 HydrophobicContact CD1-CG2 3.35Å; L591-T608 HydrophobicContact CG-CG2 4.03Å; L591-V610 HydrophobicContact CD1-CG1 3.33Å
592E81.6Confident70.8Confident74 Ų7459.8 Ų59.835%0.34632%0.322SS..EExtended strand (participates in β ladder)trans-113.2117.8172.8-73.9178.7172.200109.8I590 V609 R611I590-E592 HydrophobicContact CG2-CG 4.46Å; E592-V609 PolarHBondContact N-O 3.06Å; E592-V609 PolarHBondContact O-N 3.25Å; E592-R611 IonicContact OE1-CZ 3.27Å; E592-R611 IonicContact OE1-NE 3.6Å; E592-R611 PolarHBondContact OE1-NE 3.42Å; E592-R611 IonicContact OE1-NH2 3.09Å; E592-R611 PolarHBondContact OE1-NH2 2.97Å; E592-R611 IonicContact OE2-NE 2.76Å; E592-R611 PolarHBondContact OE2-NE 3.34Å; E592-R611 VanDerWaalsContact OE2-NE 3.17Å
593E73.9Confident68.6Low36 Ų3663.9 Ų63.917%0.16835%0.347CS..  trans-105.6141.1170.5-68.9-170.8126.500108.3R388 K569 T608R388-E593 IonicContact CZ-OE1 3.92Å; R388-E593 IonicContact CZ-OE2 3.97Å; R388-E593 IonicContact NH1-OE1 2.83Å; R388-E593 PolarHBondContact NH1-OE1 3.31Å; R388-E593 VanDerWaalsContact NH2-CD 3.26Å; R388-E593 IonicContact NH2-OE1 3.45Å; R388-E593 PolarHBondContact NH2-OE1 2.89Å; R388-E593 IonicContact NH2-OE2 3.05Å; R388-E593 PolarHBondContact NH2-OE2 3.33Å; K569-E593 PolarHBondContact N-OE2 2.98Å; E593-T608 HydrophobicContact CG-CG2 3.75Å
594A63.4Low66.7Low32 Ų3274 Ų7426%0.26439%0.385SS..  trans-64.2135.4176.500000110.6M606A594-M606 HydrophobicContact CB-CB 3.73Å
595T59.6Low64.8Low73 Ų7377.6 Ų77.645%0.44840%0.404SS..  trans-72.416117550.80000111.7E597 E598 T599T595-E597 PolarHBondContact O-N 3.12Å; T595-E598 PolarHBondContact N-OE2 2.83Å; T595-E598 PolarHBondContact O-N 3.2Å; T595-E598 VanDerWaalsContact OG1-CG 3.22Å; T595-E598 WeakPolarHBondContact OG1-CG 3.14Å; T595-E598 PolarHBondContact OG1-OE2 2.81Å; T595-T599 PolarHBondContact O-N 3.43Å; T595-T599 PolarHBondContact O-OG1 3.03Å
596E54.4Low63.4Low109 Ų10978 Ų7851%0.50941%0.407SS..Hα-helixtrans-56-35.3178.8-70.8-178.6-17700112Q386 A600Q386-E596 PolarHBondContact NE2-OE1 3.27Å; E596-A600 WeakPolarHBondContact O-CB 3.45Å; E596-A600 PolarHBondContact O-N 2.91Å
597E52.6Low62.5Low161 Ų16179.3 Ų79.375%0.75241%0.414SS*.Hα-helixtrans-70.8-43.3178.1-61-179.517800112.1T595 A600 L601T595-E597 PolarHBondContact O-N 3.12Å; E597-A600 PolarHBondContact O-N 3.34Å; E597-L601 WeakPolarHBondContact O-CD1 3.45Å; E597-L601 PolarHBondContact O-N 3.39Å
598E51.9Low62.1Low89 Ų8980.4 Ų80.442%0.41642%0.421SS..Hα-helixtrans-69.7-34.2179.8-71166.9153.300112.8T595 L601 H602T595-E598 PolarHBondContact N-OE2 2.83Å; T595-E598 PolarHBondContact O-N 3.2Å; T595-E598 VanDerWaalsContact OG1-CG 3.22Å; T595-E598 WeakPolarHBondContact OG1-CG 3.14Å; T595-E598 PolarHBondContact OG1-OE2 2.81Å; E598-L601 PolarHBondContact O-N 2.91Å; E598-H602 PolarHBondContact O-ND1 2.88Å; E598-H602 VanDerWaalsContact O-ND1 3.16Å
599T51.5Low62.3Low52 Ų5280.4 Ų80.432%0.31942%0.416SS..Hα-helixtrans-72-30.6177.3-46.50000111.7T595T595-T599 PolarHBondContact O-N 3.43Å; T595-T599 PolarHBondContact O-OG1 3.03Å
600A47.8Very low62.3Low87 Ų8779.9 Ų79.972%0.71941%0.414SS*.Hα-helixtrans-74.2-27.4175.800000113.3E596 E597E596-A600 WeakPolarHBondContact O-CB 3.45Å; E596-A600 PolarHBondContact O-N 2.91Å; E597-A600 PolarHBondContact O-N 3.34Å
601L43.1Very low62.2Low142 Ų14279.6 Ų79.674%0.74341%0.408SS*.Hα-helixtrans-79.1-26.2-179.4-91148.6000113.8E597 E598E597-L601 WeakPolarHBondContact O-CD1 3.45Å; E597-L601 PolarHBondContact O-N 3.39Å; E598-L601 PolarHBondContact O-N 2.91Å
602H46.1Very low62Low109 Ų10979.7 Ų79.751%0.50541%0.409SS..  trans-110.5122-177.1-6687.3000111.3E598 R604E598-H602 PolarHBondContact O-ND1 2.88Å; E598-H602 VanDerWaalsContact O-ND1 3.16Å; H602-R604 PolarHBondContact O-N 2.85Å
603N40.1Very low61.7Low157 Ų15777.5 Ų77.584%0.8440%0.401SS*.SBendtrans-60.6-0.9172.7-79.8-29.5000114.2
604R47.7Very low61Low212 Ų21283 Ų8380%0.843%0.427SS*.SBendtrans-128.9128.7178.1-71.3-179.5173.8173.9-0.4108.2H602 M606H602-R604 PolarHBondContact O-N 2.85Å; R604-M606 PolarHBondContact O-N 2.88Å; R604-M606 VanDerWaalsContact O-N 3.16Å
605I50.8Low60.6Low79 Ų7990.3 Ų90.341%0.40546%0.456SS..  trans-44.5120171.4-47.9157.2000108.3Y390 P607 W719Y390-I605 HydrophobicContact CD1-CD1 4.23Å; Y390-I605 HydrophobicContact CD1-CG1 4.1Å; Y390-I605 HydrophobicContact CE1-CD1 3.48Å; Y390-I605 VanDerWaalsContact CE1-CD1 3.48Å; Y390-I605 HydrophobicContact CE1-CG1 3.76Å; I605-P607 VanDerWaalsContact O-CD 3.26Å; I605-P607 WeakPolarHBondContact O-CD 3.33Å; I605-W719 HydrophobicContact CD1-CZ2 4.45Å
606M56.4Low60.4Low97 Ų9788.8 Ų88.848%0.47845%0.445SS..  trans-70114.2159.8-92.4-177.8101.200106.5A594 R604A594-M606 HydrophobicContact CB-CB 3.73Å; R604-M606 PolarHBondContact O-N 2.88Å; R604-M606 VanDerWaalsContact O-N 3.16Å
607P66.1Low60.6Low44 Ų4485.7 Ų85.729%0.28643%0.431SS..  trans-61.6149.217726.3-32.1000109.1I605 V609 I642 W719I605-P607 VanDerWaalsContact O-CD 3.26Å; I605-P607 WeakPolarHBondContact O-CD 3.33Å; P607-V609 VanDerWaalsContact O-CG2 3.27Å; P607-V609 WeakPolarHBondContact O-CG2 3.33Å; P607-V609 PolarHBondContact O-N 2.98Å; P607-I642 WeakPolarHBondContact CB-O 3.49Å; P607-W719 HydrophobicContact CB-CH2 4.4Å
608T77.9Confident60.6Low27 Ų2782.1 Ų82.117%0.16642%0.422CS..  trans-55.9123.7168.5-55.80000108.7L591 E593 I642L591-T608 HydrophobicContact CD1-CG2 3.35Å; L591-T608 HydrophobicContact CG-CG2 4.03Å; E593-T608 HydrophobicContact CG-CG2 3.75Å; T608-I642 HydrophobicContact CG2-CD1 4.31Å; T608-I642 PolarHBondContact O-N 3Å
609V83.9Confident60.1Low25 Ų2583.4 Ų83.415%0.15244%0.441CS..EExtended strand (participates in β ladder)trans-106.5137.3-177.4-175.50000109.1E592 P607 E639 I640E592-V609 PolarHBondContact N-O 3.06Å; E592-V609 PolarHBondContact O-N 3.25Å; P607-V609 VanDerWaalsContact O-CG2 3.27Å; P607-V609 WeakPolarHBondContact O-CG2 3.33Å; P607-V609 PolarHBondContact O-N 2.98Å; V609-E639 HydrophobicContact CG1-CB 3.88Å; V609-E639 HydrophobicContact CG1-CG 4.36Å; V609-I640 WeakPolarHBondContact CA-O 3.42Å
610V86.2Confident59.8Low0 Ų089.4 Ų89.40%047%0.465CS..EExtended strand (participates in β ladder)trans-114.5135.7169.3-66.10000109.5T563 F584 W589 I590 L591 I640T563-V610 HydrophobicContact CG2-CG2 3.54Å; F584-V610 HydrophobicContact CE2-CG1 4.01Å; F584-V610 HydrophobicContact CZ-CG1 4.46Å; W589-V610 HydrophobicContact CE3-CB 3.92Å; W589-V610 HydrophobicContact CE3-CG2 3.95Å; W589-V610 HydrophobicContact CZ3-CB 4.33Å; W589-V610 HydrophobicContact CZ3-CG2 3.9Å; I590-V610 WeakPolarHBondContact O-CA 3.21Å; L591-V610 HydrophobicContact CD1-CG1 3.33Å; V610-I640 HydrophobicContact CG2-CB 3.96Å; V610-I640 PolarHBondContact N-O 3.34Å; V610-I640 PolarHBondContact O-N 3.04Å
611R85.1Confident59.7Low62 Ų6291 Ų9123%0.23447%0.469CS..EExtended strand (participates in β ladder)trans-140.7146-179.167.5-175179.9108.4-1.5112.6I590 E592 E639I590-R611 HydrophobicContact CB-CG 4.46Å; I590-R611 PolarHBondContact N-O 3.41Å; I590-R611 PolarHBondContact O-N 2.84Å; E592-R611 IonicContact OE1-CZ 3.27Å; E592-R611 IonicContact OE1-NE 3.6Å; E592-R611 PolarHBondContact OE1-NE 3.42Å; E592-R611 IonicContact OE1-NH2 3.09Å; E592-R611 PolarHBondContact OE1-NH2 2.97Å; E592-R611 IonicContact OE2-NE 2.76Å; E592-R611 PolarHBondContact OE2-NE 3.34Å; E592-R611 VanDerWaalsContact OE2-NE 3.17Å; R611-E639 HydrophobicContact CB-CG 4.07Å
612P82.3Confident59.7Low7 Ų791.8 Ų91.85%0.04547%0.474CS..  trans-73.5150.817331.1-32.8000111.1V553 W589 L617 Y638V553-P612 HydrophobicContact CG1-CB 3.73Å; V553-P612 HydrophobicContact CG1-CG 4.38Å; W589-P612 HydrophobicContact CD2-CB 4.35Å; W589-P612 HydrophobicContact CZ2-CB 4.45Å; P612-L617 HydrophobicContact CG-CD2 4.31Å; P612-Y638 WeakPolarHBondContact CD-O 3.42Å; P612-Y638 HydrophobicContact CG-CD1 4.42Å
613P74.2Confident59.5Low28 Ų2895.4 Ų95.418%0.18249%0.491CS..  trans-60.4141.6170.8-20.630.5000112G588 I590 Q615 L616G588-P613 WeakPolarHBondContact O-CD 3.45Å; G588-P613 WeakPolarHBondContact O-CG 3.4Å; I590-P613 HydrophobicContact CD1-CG 4.46Å; I590-P613 HydrophobicContact CG1-CG 4.48Å; P613-Q615 PolarHBondContact O-N 3.42Å; P613-L616 HydrophobicContact CB-CD1 4.4Å; P613-L616 HydrophobicContact CG-CD1 3.96Å; P613-L616 PolarHBondContact O-N 3.28Å
614Q60Low59.4Low151 Ų15193.8 Ų93.871%0.70649%0.492SS*.G310 helixtrans-57.7-25179.2-76.1176.8-13.700113.8L616Q614-L616 VanDerWaalsContact C-N 3.31Å; Q614-L616 PolarHBondContact O-N 3.3Å
615Q55.5Low58.9Low185 Ų18588.2 Ų88.286%0.86449%0.491SS*.G310 helixtrans-73.9-15.6179-67.5175.9-11.500114.3P613P613-Q615 PolarHBondContact O-N 3.42Å
616L54.9Low58.9Low41 Ų4192.9 Ų92.922%0.21551%0.511CS..G310 helixtrans-102.12.3-177.2-73168.9000113.1V553 P613 Q614V553-L616 HydrophobicContact CG2-CB 4.44Å; P613-L616 HydrophobicContact CB-CD1 4.4Å; P613-L616 HydrophobicContact CG-CD1 3.96Å; P613-L616 PolarHBondContact O-N 3.28Å; Q614-L616 VanDerWaalsContact C-N 3.31Å; Q614-L616 PolarHBondContact O-N 3.3Å
617L57.7Low58Low45 Ų4597 Ų9724%0.23653%0.529CS..SBendtrans-88.9136.7176.4-70.4165.1000109.3P612 S619P612-L617 HydrophobicContact CG-CD2 4.31Å; L617-S619 PolarHBondContact O-N 3.14Å
618P53.1Low56.9Low86 Ų86100.5 Ų100.556%0.55855%0.545SS*.PPolyproline II helixtrans-61.3127.3179.622.3-30.8000110.7Q620P618-Q620 PolarHBondContact O-N 3.08Å
619S41.2Very low55.3Low116 Ų116105.3 Ų105.381%0.81157%0.568SS**PPolyproline II helixtrans-62.8118.6167.951.20000109.1L617L617-S619 PolarHBondContact O-N 3.14Å
620Q45.5Very low53.4Low177 Ų177111.8 Ų111.883%0.82760%0.596SS**PPolyproline II helixtrans-71.1150.3174.1-75.7-146.5-9.700111.5P618P618-Q620 PolarHBondContact O-N 3.08Å
621P45.3Very low51.3Low122 Ų122118 Ų11879%0.79263%0.628SS**PPolyproline II helixtrans-71.8148172.922.3-17.8000111.7
622D42.7Very low49.1Very low158 Ų158117.9 Ų117.985%0.84564%0.641SS**PPolyproline II helixtrans-58.4149.2-178.8-79.2-44.4000114.9
623E42.8Very low47.2Very low184 Ų184123.6 Ų123.686%0.8667%0.667SS**  trans74.1101.7158.1-67.5-175.7-177.800119.9
624S37.8Very low45.8Very low124 Ų124127.7 Ų127.787%0.86769%0.687SS**  162.8145.796.650.10000113.5
625A38.6Very low44.8Very low94 Ų94125 Ų12578%0.77769%0.685SS**  trans100.795.1171.300000117.5Q627A625-Q627 VanDerWaalsContact C-N 3.28Å; A625-Q627 PolarHBondContact O-N 3.23Å
626E48.9Very low44.5Very low177 Ų177119.4 Ų119.483%0.82767%0.666SS**THydrogen-bonded Turntrans-72.935.7-179.2-66.9-177.2137.100116.3
627Q39.1Very low44.8Very low185 Ų185121 Ų12186%0.86467%0.674SS**THydrogen-bonded Turntrans-127.53.3178.3-83.1179.5-12.100117.2A625A625-Q627 VanDerWaalsContact C-N 3.28Å; A625-Q627 PolarHBondContact O-N 3.23Å
628D42.5Very low45.7Very low116 Ų116120.9 Ų120.962%0.6267%0.671SS**  trans-127.334.1175.2-72.4-40.9000113.2E630 L631 A632D628-E630 VanDerWaalsContact C-N 3.34Å; D628-E630 PolarHBondContact O-N 3.32Å; D628-L631 PolarHBondContact O-N 3.48Å; D628-A632 VanDerWaalsContact O-CB 3.27Å; D628-A632 WeakPolarHBondContact O-CB 3.16Å; D628-A632 PolarHBondContact O-N 3.02Å
629M43.2Very low47.1Very low129 Ų129118.8 Ų118.864%0.63565%0.654SS**Hα-helixtrans-63.1-35.1-176.1-153.8176.8-69.200112.9E633M629-E633 WeakPolarHBondContact O-CG 3.22Å; M629-E633 PolarHBondContact O-N 2.91Å; M629-E633 VanDerWaalsContact O-N 3.16Å
630E44.8Very low49.3Very low161 Ų161113.3 Ų113.375%0.75262%0.615SS**Hα-helixtrans-73.6-34.5176.7-77-176.915900113.4D628 L634D628-E630 VanDerWaalsContact C-N 3.34Å; D628-E630 PolarHBondContact O-N 3.32Å; E630-L634 WeakPolarHBondContact O-CD1 3.47Å; E630-L634 PolarHBondContact O-N 3.11Å
631L42.7Very low51.3Low129 Ų129105.4 Ų105.468%0.67558%0.581SS**Hα-helixtrans-79.1-31.4176.8-103.489000112.5D628 S635D628-L631 PolarHBondContact O-N 3.48Å; L631-S635 PolarHBondContact O-N 3.29Å; L631-S635 VanDerWaalsContact O-N 3.08Å
632A38.5Very low53.2Low60 Ų60100.1 Ų100.150%0.49655%0.546SS..Hα-helixtrans-70.9-36.4176.300000112.2D628 S635 S636D628-A632 VanDerWaalsContact O-CB 3.27Å; D628-A632 WeakPolarHBondContact O-CB 3.16Å; D628-A632 PolarHBondContact O-N 3.02Å; A632-S635 WeakPolarHBondContact O-CB 3.34Å; A632-S635 PolarHBondContact O-N 3.38Å; A632-S636 PolarHBondContact O-N 3.01Å
633E43.2Very low55.1Low128 Ų12893.2 Ų93.260%0.59851%0.51SS*.Hα-helixtrans-66-39.6172.4-79.3-174.3165.900112.1M629 S635 S636M629-E633 WeakPolarHBondContact O-CG 3.22Å; M629-E633 PolarHBondContact O-N 2.91Å; M629-E633 VanDerWaalsContact O-N 3.16Å; E633-S635 VanDerWaalsContact C-N 3.32Å; E633-S635 PolarHBondContact O-N 3.27Å; E633-S636 WeakPolarHBondContact O-CB 3.2Å; E633-S636 PolarHBondContact O-N 3.27Å; E633-S636 VanDerWaalsContact O-N 3.1Å; E633-S636 PolarHBondContact O-OG 3.05Å
634L43.3Very low57Low113 Ų11387.1 Ų87.159%0.59248%0.479SS*.Hα-helixtrans-66.8-29.9173.9-94.6145.2000113.3E630 S636E630-L634 WeakPolarHBondContact O-CD1 3.47Å; E630-L634 PolarHBondContact O-N 3.11Å; L634-S636 PolarHBondContact O-N 2.76Å
635S40.6Very low59.2Low95 Ų9584.6 Ų84.666%0.66445%0.453SS*.THydrogen-bonded Turntrans-69.9-16.4172.1172.60000113.2L631 A632 E633L631-S635 PolarHBondContact O-N 3.29Å; L631-S635 VanDerWaalsContact O-N 3.08Å; A632-S635 WeakPolarHBondContact O-CB 3.34Å; A632-S635 PolarHBondContact O-N 3.38Å; E633-S635 VanDerWaalsContact C-N 3.32Å; E633-S635 PolarHBondContact O-N 3.27Å
636S48.7Very low61.5Low67 Ų6780.8 Ų80.847%0.46942%0.419SS..THydrogen-bonded Turntrans-88.1-14-176.778.80000113.8A632 E633 L634A632-S636 PolarHBondContact O-N 3.01Å; E633-S636 WeakPolarHBondContact O-CB 3.2Å; E633-S636 PolarHBondContact O-N 3.27Å; E633-S636 VanDerWaalsContact O-N 3.1Å; E633-S636 PolarHBondContact O-OG 3.05Å; L634-S636 PolarHBondContact O-N 2.76Å
637L60.8Low63Low75 Ų7573.7 Ų73.739%0.39339%0.389SS..  trans-99.490.6-179-68.6165.1000110.8E639L637-E639 HydrophobicContact CB-CG 4.38Å; L637-E639 PolarHBondContact O-N 3.21Å; L637-E639 VanDerWaalsContact O-N 3.16Å
638Y76.1Confident65.1Low42 Ų4270 Ų7017%0.16537%0.37CS..  trans-80.291.1172.1-173-119.4000110.1K554 W589 P612 I640 T661K554-Y638 HydrophobicContact CG-CD1 4.32Å; K554-Y638 HydrophobicContact CG-CE1 4.43Å; W589-Y638 AromaticContact CH2-CD1 3.74Å; W589-Y638 HydrophobicContact CH2-CD1 3.74Å; W589-Y638 AromaticContact CH2-CE1 3.5Å; W589-Y638 HydrophobicContact CH2-CE1 3.5Å; W589-Y638 VanDerWaalsContact CH2-CE1 3.5Å; W589-Y638 HydrophobicContact CZ2-CD1 4.13Å; W589-Y638 AromaticContact CZ2-CE1 3.93Å; W589-Y638 HydrophobicContact CZ2-CE1 3.93Å; P612-Y638 WeakPolarHBondContact CD-O 3.42Å; P612-Y638 HydrophobicContact CG-CD1 4.42Å; Y638-I640 HydrophobicContact CE1-CD1 4.23Å; Y638-T661 HydrophobicContact CD2-CG2 4.17Å; Y638-T661 HydrophobicContact CE2-CG2 3.76Å
639E83.9Confident66.7Low43 Ų4366.1 Ų66.120%0.20135%0.352CS..  trans-115.8138.4-178.2-63.5-177.8174.100111.3V609 R611 L637 L662V609-E639 HydrophobicContact CG1-CB 3.88Å; V609-E639 HydrophobicContact CG1-CG 4.36Å; R611-E639 HydrophobicContact CB-CG 4.07Å; L637-E639 HydrophobicContact CB-CG 4.38Å; L637-E639 PolarHBondContact O-N 3.21Å; L637-E639 VanDerWaalsContact O-N 3.16Å; E639-L662 HydrophobicContact CB-CB 4.16Å; E639-L662 HydrophobicContact CB-CD2 4.37Å; E639-L662 PolarHBondContact O-N 3.33Å
640I87.2Confident67.9Low0 Ų064.7 Ų64.70%035%0.354CS..EExtended strand (participates in β ladder)trans-120.7120.2177-52.1174.6000109.4A559 T563 W589 V609 V610 Y638A559-I640 HydrophobicContact CB-CD1 3.76Å; T563-I640 HydrophobicContact CG2-CB 4.03Å; T563-I640 HydrophobicContact CG2-CD1 4.13Å; T563-I640 HydrophobicContact CG2-CG2 3.62Å; W589-I640 HydrophobicContact CH2-CD1 3.8Å; W589-I640 HydrophobicContact CH2-CG1 4.41Å; W589-I640 HydrophobicContact CZ3-CD1 3.96Å; W589-I640 HydrophobicContact CZ3-CG1 4.29Å; V609-I640 WeakPolarHBondContact CA-O 3.42Å; V610-I640 HydrophobicContact CG2-CB 3.96Å; V610-I640 PolarHBondContact N-O 3.34Å; V610-I640 PolarHBondContact O-N 3.04Å; Y638-I640 HydrophobicContact CE1-CD1 4.23Å
641G86.1Confident69.2Low11 Ų1161.5 Ų61.511%0.11336%0.355CS..EExtended strand (participates in β ladder)trans-89.9130.2174.200000112S659 R660G641-S659 CarbonylContact O-C 3.49Å; G641-S659 VanDerWaalsContact O-CA 3.25Å; G641-S659 WeakPolarHBondContact O-CA 3.4Å; G641-R660 PolarHBondContact N-O 3.33Å; G641-R660 PolarHBondContact O-N 3.45Å
642I86Confident71Confident11 Ų1158.3 Ų58.36%0.05634%0.339CS..EExtended strand (participates in β ladder)trans-80.2117.4173.6-63178.3000109.3P607 T608 Q645 V657P607-I642 WeakPolarHBondContact CB-O 3.49Å; T608-I642 HydrophobicContact CG2-CD1 4.31Å; T608-I642 PolarHBondContact O-N 3Å; I642-Q645 HydrophobicContact CG2-CG 3.68Å; I642-V657 HydrophobicContact CG1-CG1 4.47Å; I642-V657 HydrophobicContact CG2-CG1 3.73Å
643V82.5Confident73.1Confident13 Ų1358 Ų588%0.07933%0.327CS..EExtended strand (participates in β ladder)trans-90.1-50.1-175.6173.80000112.4V658 R660 M667 W719 V722 Q723V643-V658 WeakPolarHBondContact CA-O 3.45Å; V643-V658 HydrophobicContact CB-CB 4.39Å; V643-V658 HydrophobicContact CB-CG1 4.38Å; V643-V658 WeakPolarHBondContact CB-O 3.4Å; V643-V658 PolarHBondContact N-O 2.94Å; V643-R660 HydrophobicContact CG2-CB 3.97Å; V643-M667 HydrophobicContact CG1-SD 4.41Å; V643-M667 HydrophobicContact CG2-SD 4.49Å; V643-W719 HydrophobicContact CB-CE3 4.18Å; V643-W719 HydrophobicContact CB-CH2 4Å; V643-W719 HydrophobicContact CB-CZ3 3.57Å; V643-W719 HydrophobicContact CG1-CD2 4.07Å; V643-W719 HydrophobicContact CG1-CE3 3.4Å; V643-W719 VanDerWaalsContact CG1-CE3 3.4Å; V643-W719 HydrophobicContact CG1-CH2 3.7Å; V643-W719 HydrophobicContact CG1-CZ2 4.29Å; V643-W719 HydrophobicContact CG1-CZ3 3.24Å; V643-W719 HydrophobicContact CG2-CE3 4.06Å; V643-W719 HydrophobicContact CG2-CH2 4.28Å; V643-W719 HydrophobicContact CG2-CZ3 3.45Å; V643-W719 VanDerWaalsContact CG2-CZ3 3.45Å; V643-V722 HydrophobicContact CG1-CG1 4.08Å; V643-Q723 PolarHBondContact O-NE2 3.23Å
644R82.9Confident75.4Confident56 Ų5653.1 Ų53.121%0.21130%0.303CS..EExtended strand (participates in β ladder)trans-152.4135.1-177.3-172.6179.1-173-160.1-4.4109.6V657 V658 V722 Q723 V725R644-V657 WeakPolarHBondContact O-CA 3.37Å; R644-V658 HydrophobicContact CB-CB 4.36Å; R644-V658 HydrophobicContact CB-CG2 4.45Å; R644-V658 PolarHBondContact N-O 3.23Å; R644-V658 PolarHBondContact O-N 3.42Å; R644-V722 HydrophobicContact CB-CG1 4.32Å; R644-V722 VanDerWaalsContact CD-O 3.22Å; R644-V722 WeakPolarHBondContact CD-O 3.49Å; R644-V722 PolarHBondContact NH1-O 2.91Å; R644-Q723 PolarHBondContact NE-O 3.11Å; R644-Q723 PolarHBondContact NH1-O 3.1Å; R644-Q723 VanDerWaalsContact NH1-O 3.12Å; R644-Q723 PolarHBondContact NH2-O 3.13Å; R644-V725 PolarHBondContact NH1-O 2.96Å
645Q84.2Confident77.7Confident71 Ų7147.8 Ų47.833%0.33228%0.275SS..EExtended strand (participates in β ladder)trans-110.1128.1175.9-59.9178.3-6.100110.2H565 I642 V657H565-Q645 PolarHBondContact O-NE2 3.28Å; I642-Q645 HydrophobicContact CG2-CG 3.68Å; Q645-V657 HydrophobicContact CB-CG2 4.28Å; Q645-V657 HydrophobicContact CG-CG1 4.25Å; Q645-V657 HydrophobicContact CG-CG2 3.95Å
646F85.8Confident80.2Confident15 Ų1543.3 Ų43.37%0.06624%0.244CC..EExtended strand (participates in β ladder)trans-97.6103.9162.4-61.5-85000106.8M655 S656 V658 R727 I730F646-M655 VanDerWaalsContact O-CG 3.32Å; F646-M655 WeakPolarHBondContact O-CG 3.4Å; F646-S656 WeakPolarHBondContact CA-O 3.43Å; F646-S656 WeakPolarHBondContact CB-O 3.43Å; F646-S656 WeakPolarHBondContact CB-OG 3.31Å; F646-S656 WeakPolarHBondContact CD2-OG 3.44Å; F646-S656 PolarHBondContact N-O 2.93Å; F646-S656 PolarHBondContact O-N 3.44Å; F646-S656 VanDerWaalsContact O-O 3.07Å; F646-V658 HydrophobicContact CE2-CG2 4.1Å; F646-R727 HydrophobicContact CD1-CB 3.96Å; F646-R727 HydrophobicContact CD1-CG 3.89Å; F646-R727 HydrophobicContact CE1-CB 3.91Å; F646-R727 HydrophobicContact CE1-CG 4.28Å; F646-R727 HydrophobicContact CG-CG 4.27Å; F646-I730 HydrophobicContact CE2-CB 4.21Å; F646-I730 HydrophobicContact CE2-CG1 4.09Å; F646-I730 HydrophobicContact CE2-CG2 3.98Å; F646-I730 HydrophobicContact CZ-CG1 4.11Å
647P80.7Confident82.2Confident28 Ų2840.1 Ų40.118%0.18222%0.221CC..EExtended strand (participates in β ladder)trans-64.2167.9-172.236.8-46000111.7R375 S649 R727R375-P647 VanDerWaalsContact NH1-CG 3.26Å; P647-S649 PolarHBondContact O-N 3.01Å; P647-R727 PolarHBondContact O-NH1 2.9Å; P647-R727 VanDerWaalsContact O-NH1 3.16Å
648F82.7Confident83.6Confident108 Ų10836.5 Ų36.547%0.47420%0.203SC..EExtended strand (participates in β ladder)trans-57128.4169.8-171.8-97.2000110.8Q653 R654 M655F648-Q653 VanDerWaalsContact CE2-C 3.46Å; F648-R654 WeakPolarHBondContact CA-O 3.44Å; F648-M655 HydrophobicContact CB-CB 4.19Å; F648-M655 HydrophobicContact CD2-CB 4.47Å
649S77.3Confident84.2Confident34 Ų3434.5 Ų34.524%0.23820%0.195CC..EExtended strand (participates in β ladder)trans-113.5125.7170.4161.30000108.4P647 A651 L652 Q653 R654P647-S649 PolarHBondContact O-N 3.01Å; S649-A651 VanDerWaalsContact C-N 3.25Å; S649-A651 PolarHBondContact O-N 2.88Å; S649-A651 PolarHBondContact OG-N 3.4Å; S649-L652 CarbonylContact O-C 3.59Å; S649-L652 PolarHBondContact O-N 3.03Å; S649-L652 PolarHBondContact OG-N 3.13Å; S649-Q653 WeakPolarHBondContact O-CA 3.47Å; S649-Q653 PolarHBondContact O-N 3.48Å; S649-R654 PolarHBondContact N-O 3Å
650S68.9Low84.4Confident98 Ų9837.7 Ų37.769%0.68521%0.205SC*.THydrogen-bonded Turntrans-64.2-30.8178.9-56.60000112.7Q653S650-Q653 VanDerWaalsContact O-CG 3.31Å; S650-Q653 WeakPolarHBondContact O-CG 3.42Å
651A70.7Confident84.3Confident94 Ų9438.3 Ų38.378%0.77721%0.209SC*.THydrogen-bonded Turntrans-70.8-41.2175.200000111.9S649S649-A651 VanDerWaalsContact C-N 3.25Å; S649-A651 PolarHBondContact O-N 2.88Å; S649-A651 PolarHBondContact OG-N 3.4Å
652L80.9Confident84Confident63 Ų6342.3 Ų42.333%0.3323%0.227SC..THydrogen-bonded Turntrans-87.7-16.1-179.8-59.9177.1000113.8S649 R654S649-L652 CarbonylContact O-C 3.59Å; S649-L652 PolarHBondContact O-N 3.03Å; S649-L652 PolarHBondContact OG-N 3.13Å; L652-R654 VanDerWaalsContact C-N 3.28Å; L652-R654 HydrophobicContact CB-CG 4.24Å; L652-R654 PolarHBondContact O-N 3.33Å; L652-R654 PolarHBondContact O-NH1 3.19Å
653Q83.2Confident83.3Confident52 Ų5245.5 Ų45.524%0.24326%0.263CS..THydrogen-bonded Turntrans5631.9179.9-56-177-24.800115.2F648 S649 S650 G673 A674 V677F648-Q653 VanDerWaalsContact CE2-C 3.46Å; S649-Q653 WeakPolarHBondContact O-CA 3.47Å; S649-Q653 PolarHBondContact O-N 3.48Å; S650-Q653 VanDerWaalsContact O-CG 3.31Å; S650-Q653 WeakPolarHBondContact O-CG 3.42Å; Q653-G673 WeakPolarHBondContact O-CA 3.28Å; Q653-A674 HydrophobicContact CB-CB 3.99Å; Q653-A674 PolarHBondContact O-N 3Å; Q653-V677 HydrophobicContact CB-CG2 4.38Å
654R90.7Very high83.2Confident27 Ų2748 Ų4810%0.10227%0.274CS..EExtended strand (participates in β ladder)trans-154.9159.9-177.667.8-169.5-177.8-105.54.4113.3F648 S649 L652 K672 R727 E731F648-R654 WeakPolarHBondContact CA-O 3.44Å; S649-R654 PolarHBondContact N-O 3Å; L652-R654 VanDerWaalsContact C-N 3.28Å; L652-R654 HydrophobicContact CB-CG 4.24Å; L652-R654 PolarHBondContact O-N 3.33Å; L652-R654 PolarHBondContact O-NH1 3.19Å; R654-K672 WeakPolarHBondContact CA-O 3.5Å; R654-R727 PolarHBondContact O-NH2 3.37Å; R654-E731 IonicContact CZ-OE2 3.97Å; R654-E731 VanDerWaalsContact CZ-OE2 3.26Å; R654-E731 IonicContact NE-OE1 3.92Å; R654-E731 IonicContact NE-OE2 3.37Å; R654-E731 PolarHBondContact NE-OE2 2.7Å; R654-E731 IonicContact NH2-OE2 2.95Å; R654-E731 PolarHBondContact NH2-OE2 3.29Å
655M91.4Very high82.8Confident1 Ų154.4 Ų54.41%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-130145.3175.6172.6176-13900109.1S566 F646 F648 M671 K672S566-M655 WeakPolarHBondContact OG-CE 3.48Å; F646-M655 VanDerWaalsContact O-CG 3.32Å; F646-M655 WeakPolarHBondContact O-CG 3.4Å; F648-M655 HydrophobicContact CB-CB 4.19Å; F648-M655 HydrophobicContact CD2-CB 4.47Å; M655-M671 WeakPolarHBondContact O-CA 3.47Å; M655-M671 WeakPolarHBondContact O-CG 3.38Å; M655-K672 HydrophobicContact CB-CG 4.11Å; M655-K672 PolarHBondContact N-O 3.27Å; M655-K672 PolarHBondContact O-N 3.43Å; M655-K672 VanDerWaalsContact O-O 3.08Å; M655-K672 WeakPolarHBondContact SD-CE 3.3Å
656S92.9Very high82.7Confident0 Ų052.6 Ų52.60%030%0.298CS..EExtended strand (participates in β ladder)trans-138.4149.9172.456.60000111.7F646 Y670 E731F646-S656 WeakPolarHBondContact CA-O 3.43Å; F646-S656 WeakPolarHBondContact CB-O 3.43Å; F646-S656 WeakPolarHBondContact CB-OG 3.31Å; F646-S656 WeakPolarHBondContact CD2-OG 3.44Å; F646-S656 PolarHBondContact N-O 2.93Å; F646-S656 PolarHBondContact O-N 3.44Å; F646-S656 VanDerWaalsContact O-O 3.07Å; S656-Y670 CarbonylContact C-O 3.57Å; S656-Y670 VanDerWaalsContact CA-O 3.23Å; S656-Y670 WeakPolarHBondContact CA-O 3.26Å; S656-E731 PolarHBondContact OG-OE1 2.87Å
657V91.4Very high82.8Confident0 Ų052.4 Ų52.40%030%0.298CS..EExtended strand (participates in β ladder)trans-133.4131.4-179.61760000108.6C564 I642 R644 Q645 V669 Y670C564-V657 HydrophobicContact CB-CG2 4.43Å; I642-V657 HydrophobicContact CG1-CG1 4.47Å; I642-V657 HydrophobicContact CG2-CG1 3.73Å; R644-V657 WeakPolarHBondContact O-CA 3.37Å; Q645-V657 HydrophobicContact CB-CG2 4.28Å; Q645-V657 HydrophobicContact CG-CG1 4.25Å; Q645-V657 HydrophobicContact CG-CG2 3.95Å; V657-V669 WeakPolarHBondContact O-CA 3.42Å; V657-Y670 PolarHBondContact N-O 2.85Å; V657-Y670 PolarHBondContact O-N 3.46Å
658V89.9Confident83.2Confident0 Ų051.1 Ų51.10%029%0.289CS..EExtended strand (participates in β ladder)trans-92.1128168.2-169.60000107.3V643 R644 F646 M667 V669 L713 V722 I730V643-V658 WeakPolarHBondContact CA-O 3.45Å; V643-V658 HydrophobicContact CB-CB 4.39Å; V643-V658 HydrophobicContact CB-CG1 4.38Å; V643-V658 WeakPolarHBondContact CB-O 3.4Å; V643-V658 PolarHBondContact N-O 2.94Å; R644-V658 HydrophobicContact CB-CB 4.36Å; R644-V658 HydrophobicContact CB-CG2 4.45Å; R644-V658 PolarHBondContact N-O 3.23Å; R644-V658 PolarHBondContact O-N 3.42Å; F646-V658 HydrophobicContact CE2-CG2 4.1Å; V658-M667 HydrophobicContact CG1-CB 4.1Å; V658-M667 HydrophobicContact CG1-SD 4.08Å; V658-V669 HydrophobicContact CG2-CG2 4.32Å; V658-L713 HydrophobicContact CG1-CD1 4.07Å; V658-V722 HydrophobicContact CB-CG1 4.18Å; V658-V722 HydrophobicContact CG1-CG1 3.94Å; V658-V722 HydrophobicContact CG2-CG1 4.12Å; V658-I730 HydrophobicContact CG2-CG2 4.16Å
659S89.7Confident83.7Confident0 Ų046 Ų460%027%0.267CS..EExtended strand (participates in β ladder)trans-133.4164.1-175.969.40000110.7G641 M667 D668 Y670G641-S659 CarbonylContact O-C 3.49Å; G641-S659 VanDerWaalsContact O-CA 3.25Å; G641-S659 WeakPolarHBondContact O-CA 3.4Å; S659-M667 CarbonylContact O-C 3.57Å; S659-M667 WeakPolarHBondContact O-CA 3.46Å; S659-M667 WeakPolarHBondContact O-CB 3.23Å; S659-D668 PolarHBondContact N-O 2.77Å; S659-D668 PolarHBondContact O-N 3.32Å; S659-D668 PolarHBondContact OG-O 3.42Å; S659-Y670 VanDerWaalsContact OG-CD2 3.3Å; S659-Y670 WeakPolarHBondContact OG-CD2 3.03Å; S659-Y670 WeakPolarHBondContact OG-CE2 3.24Å
660R87.3Confident84.5Confident109 Ų10944.4 Ų44.441%0.41126%0.255SS..EExtended strand (participates in β ladder)trans-142.2121.7177.3-173.7177.2-178.7-171.8-2.7110.1G641 V643 E664 M667G641-R660 PolarHBondContact N-O 3.33Å; G641-R660 PolarHBondContact O-N 3.45Å; V643-R660 HydrophobicContact CG2-CB 3.97Å; R660-E664 VanDerWaalsContact CZ-O 3.31Å; R660-E664 PolarHBondContact NE-O 3.1Å; R660-E664 PolarHBondContact NH2-O 2.89Å; R660-M667 HydrophobicContact CB-CG 4.36Å
661T85.3Confident85.8Confident13 Ų1339.7 Ų39.78%0.0822%0.223CC..EExtended strand (participates in β ladder)trans-69.8138.9172.3-45.10000110.4Y638 G663 E664Y638-T661 HydrophobicContact CD2-CG2 4.17Å; Y638-T661 HydrophobicContact CE2-CG2 3.76Å; T661-G663 PolarHBondContact O-N 3.15Å; T661-E664 HydrophobicContact CG2-CG 4.4Å; T661-E664 PolarHBondContact O-N 2.97Å; T661-E664 VanDerWaalsContact O-N 3.17Å
662L80.2Confident86.9Confident95 Ų9535.7 Ų35.750%0.49719%0.188SC..THydrogen-bonded Turntrans-58.5133.9176.1-168.769.7000110.3E639 E664E639-L662 HydrophobicContact CB-CB 4.16Å; E639-L662 HydrophobicContact CB-CD2 4.37Å; E639-L662 PolarHBondContact O-N 3.33Å; L662-E664 VanDerWaalsContact C-N 3.28Å; L662-E664 PolarHBondContact O-N 2.85Å
663G71.8Confident87.4Confident79 Ų7933.1 Ų33.181%0.81418%0.176SC*.THydrogen-bonded Turntrans84.2-17.8-176.700000115.6T661T661-G663 PolarHBondContact O-N 3.15Å
664E79.9Confident87.7Confident66 Ų6631.5 Ų31.531%0.30817%0.172SC..  trans-86.9146.1179.8-64.2-158.6140.100113.6R660 T661 L662 R712R660-E664 VanDerWaalsContact CZ-O 3.31Å; R660-E664 PolarHBondContact NE-O 3.1Å; R660-E664 PolarHBondContact NH2-O 2.89Å; T661-E664 HydrophobicContact CG2-CG 4.4Å; T661-E664 PolarHBondContact O-N 2.97Å; T661-E664 VanDerWaalsContact O-N 3.17Å; L662-E664 VanDerWaalsContact C-N 3.28Å; L662-E664 PolarHBondContact O-N 2.85Å; E664-R712 IonicContact OE1-CZ 3.48Å; E664-R712 IonicContact OE1-NH2 2.78Å; E664-R712 PolarHBondContact OE1-NH2 3.38Å; E664-R712 IonicContact OE2-CZ 3.94Å; E664-R712 IonicContact OE2-NH2 2.62Å; E664-R712 PolarHBondContact OE2-NH2 2.79Å
665K73.3Confident87.7Confident189 Ų18930.7 Ų30.782%0.82217%0.17SC*.SBendtrans-87.4-23.1176.6-69.7-176-179176.10113.5
666C82.5Confident87.5Confident34 Ų3434.8 Ų34.823%0.2319%0.189CC..SBendtrans-92.8156.4179.7-63.70000110.6R712C666-R712 HydrophobicContact CB-CG 4.21Å
667M88.1Confident87.4Confident11 Ų1136 Ų365%0.05420%0.197CC..  trans-106149.7173.2-64.5-176.8-17300109.5V643 V658 S659 R660 L713 V722V643-M667 HydrophobicContact CG1-SD 4.41Å; V643-M667 HydrophobicContact CG2-SD 4.49Å; V658-M667 HydrophobicContact CG1-CB 4.1Å; V658-M667 HydrophobicContact CG1-SD 4.08Å; S659-M667 CarbonylContact O-C 3.57Å; S659-M667 WeakPolarHBondContact O-CA 3.46Å; S659-M667 WeakPolarHBondContact O-CB 3.23Å; R660-M667 HydrophobicContact CB-CG 4.36Å; M667-L713 HydrophobicContact CB-CD1 4.19Å; M667-L713 WeakPolarHBondContact O-CB 3.24Å; M667-L713 PolarHBondContact O-N 2.7Å; M667-V722 HydrophobicContact CE-CG2 4.48Å; M667-V722 HydrophobicContact SD-CG2 3.78Å
668D90Very high87.4Confident1 Ų136 Ų361%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-113.9137178-71.5-66.4000110.3S659 Y670 R712S659-D668 PolarHBondContact N-O 2.77Å; S659-D668 PolarHBondContact O-N 3.32Å; S659-D668 PolarHBondContact OG-O 3.42Å; D668-Y670 HydrophobicContact CB-CE2 4.05Å; D668-R712 WeakPolarHBondContact OD1-CA 3.47Å; D668-R712 WeakPolarHBondContact OD1-CB 3.31Å; D668-R712 VanDerWaalsContact OD1-CG 3.32Å; D668-R712 WeakPolarHBondContact OD1-CG 3.49Å; D668-R712 IonicContact OD1-NE 3.2Å
669V92.6Very high87.5Confident0 Ų037 Ų370%020%0.204CC..EExtended strand (participates in β ladder)trans-101.8123.7173.6179.60000107.5V657 V658 H710 R711 L713 I730 L734V657-V669 WeakPolarHBondContact O-CA 3.42Å; V658-V669 HydrophobicContact CG2-CG2 4.32Å; V669-H710 CarbonylContact O-C 3.6Å; V669-H710 VanDerWaalsContact O-CA 3.25Å; V669-H710 WeakPolarHBondContact O-CA 3.31Å; V669-R711 HydrophobicContact CB-CB 4.48Å; V669-R711 PolarHBondContact N-O 2.83Å; V669-R711 PolarHBondContact O-N 3.43Å; V669-L713 HydrophobicContact CG2-CD1 3.5Å; V669-L713 VanDerWaalsContact CG2-CD1 3.5Å; V669-L713 HydrophobicContact CG2-CD2 3.88Å; V669-L713 HydrophobicContact CG2-CG 3.59Å; V669-I730 HydrophobicContact CB-CG2 4.37Å; V669-I730 HydrophobicContact CG1-CG2 3.63Å; V669-I730 HydrophobicContact CG2-CG2 3.75Å; V669-L734 HydrophobicContact CG1-CD2 4.14Å
670Y94.9Very high87.6Confident0 Ų041.2 Ų41.20%023%0.234CC..EExtended strand (participates in β ladder)trans-110137.1172.1-67-62.7000109.4Q556 A559 C560 T563 S656 V657 S659 D668 H710Q556-Y670 PolarHBondContact OE1-OH 3.1Å; A559-Y670 HydrophobicContact CB-CE1 4.38Å; A559-Y670 HydrophobicContact CB-CE2 4.44Å; C560-Y670 HydrophobicContact CB-CD1 3.54Å; C560-Y670 HydrophobicContact CB-CE1 4.15Å; C560-Y670 HydrophobicContact CB-CG 4.09Å; T563-Y670 WeakPolarHBondContact OG1-CD2 3.34Å; S656-Y670 CarbonylContact C-O 3.57Å; S656-Y670 VanDerWaalsContact CA-O 3.23Å; S656-Y670 WeakPolarHBondContact CA-O 3.26Å; V657-Y670 PolarHBondContact N-O 2.85Å; V657-Y670 PolarHBondContact O-N 3.46Å; S659-Y670 VanDerWaalsContact OG-CD2 3.3Å; S659-Y670 WeakPolarHBondContact OG-CD2 3.03Å; S659-Y670 WeakPolarHBondContact OG-CE2 3.24Å; D668-Y670 HydrophobicContact CB-CE2 4.05Å; Y670-H710 HydrophobicContact CD1-CB 4Å; Y670-H710 HydrophobicContact CE1-CB 4.06Å
671M94.3Very high87.8Confident0 Ų038 Ų380%023%0.225CC..EExtended strand (participates in β ladder)trans-130141.3179.8176.4-178.7-72.100110M655 V678 L681 L708 A709 E731 L734M655-M671 WeakPolarHBondContact O-CA 3.47Å; M655-M671 WeakPolarHBondContact O-CG 3.38Å; M671-V678 HydrophobicContact CG-CG2 4.35Å; M671-V678 HydrophobicContact SD-CG1 4.36Å; M671-V678 HydrophobicContact SD-CG2 4.18Å; M671-L681 HydrophobicContact CE-CD1 3.99Å; M671-L681 HydrophobicContact SD-CD1 4.03Å; M671-L708 CarbonylContact O-C 3.57Å; M671-L708 WeakPolarHBondContact O-CA 3.12Å; M671-A709 HydrophobicContact CB-CB 4.39Å; M671-A709 PolarHBondContact N-O 2.87Å; M671-A709 PolarHBondContact O-N 3.38Å; M671-E731 HydrophobicContact CE-CB 3.53Å; M671-E731 HydrophobicContact CE-CG 3.38Å; M671-L734 HydrophobicContact CB-CD2 4.34Å; M671-L734 HydrophobicContact CE-CD1 3.53Å; M671-L734 HydrophobicContact SD-CD1 3.83Å
672K94.3Very high88.2Confident10 Ų1037.9 Ų37.94%0.04323%0.225CC..EExtended strand (participates in β ladder)trans-131.5150.1165.873.9-178.5179-168.30111.1C564 D580 M583 R654 M655 I706 A707 L708C564-K672 HydrophobicContact CB-CD 4.48Å; C564-K672 VanDerWaalsContact O-CD 3.28Å; C564-K672 WeakPolarHBondContact O-CD 3.48Å; C564-K672 WeakPolarHBondContact O-CE 3.21Å; C564-K672 PolarHBondContact O-NZ 3.17Å; D580-K672 IonicContact OD1-NZ 2.67Å; D580-K672 PolarHBondContact OD1-NZ 2.92Å; D580-K672 IonicContact OD2-NZ 3.58Å; D580-K672 PolarHBondContact OD2-NZ 3.41Å; M583-K672 HydrophobicContact CE-CD 4.14Å; M583-K672 HydrophobicContact SD-CD 4.35Å; R654-K672 WeakPolarHBondContact CA-O 3.5Å; M655-K672 HydrophobicContact CB-CG 4.11Å; M655-K672 PolarHBondContact N-O 3.27Å; M655-K672 PolarHBondContact O-N 3.43Å; M655-K672 VanDerWaalsContact O-O 3.08Å; M655-K672 WeakPolarHBondContact SD-CE 3.3Å; K672-I706 HydrophobicContact CB-CG2 4.24Å; K672-A707 VanDerWaalsContact CA-O 3.3Å; K672-A707 WeakPolarHBondContact CA-O 3.39Å; K672-L708 HydrophobicContact CB-CD2 3.52Å
673G91.7Very high88.7Confident8 Ų837.2 Ų37.28%0.08222%0.218CC..EExtended strand (participates in β ladder)trans173-165.9176.800000114.4Q653 A707Q653-G673 WeakPolarHBondContact O-CA 3.28Å; G673-A707 PolarHBondContact N-O 3.16Å; G673-A707 VanDerWaalsContact N-O 3.12Å; G673-A707 PolarHBondContact O-N 2.87Å
674A89.1Confident89.4Confident19 Ų1944.6 Ų44.616%0.15722%0.221CC..  trans-56.9130.4174.100000110.2Q653 E676 V677 V678Q653-A674 HydrophobicContact CB-CB 3.99Å; Q653-A674 PolarHBondContact O-N 3Å; A674-E676 VanDerWaalsContact C-N 3.32Å; A674-E676 PolarHBondContact O-N 3.27Å; A674-V677 HydrophobicContact CB-CB 4.28Å; A674-V677 HydrophobicContact CB-CG2 4.01Å; A674-V677 PolarHBondContact O-N 3.37Å; A674-V678 WeakPolarHBondContact O-CG2 3.41Å; A674-V678 PolarHBondContact O-N 2.95Å
675P90.4Very high89.8Confident9 Ų950 Ų506%0.05825%0.246CC..Hα-helixtrans-54.2-43.7-174.2-29.936.8000114.5V677 A679 F691 L695 V705 A707 L739P675-V677 VanDerWaalsContact C-N 3.33Å; P675-V677 PolarHBondContact O-N 3.15Å; P675-A679 WeakPolarHBondContact O-CB 3.44Å; P675-A679 PolarHBondContact O-N 2.87Å; P675-F691 HydrophobicContact CB-CE2 4.35Å; P675-F691 HydrophobicContact CB-CZ 3.77Å; P675-F691 WeakPolarHBondContact O-CZ 3.23Å; P675-L695 HydrophobicContact CB-CD1 3.77Å; P675-L695 HydrophobicContact CB-CD2 3.76Å; P675-L695 HydrophobicContact CB-CG 4.41Å; P675-L695 HydrophobicContact CG-CD1 3.71Å; P675-V705 WeakPolarHBondContact CD-O 3.38Å; P675-V705 HydrophobicContact CG-CB 4.24Å; P675-V705 HydrophobicContact CG-CG1 3.99Å; P675-V705 WeakPolarHBondContact CG-O 3.39Å; P675-A707 HydrophobicContact CB-CB 4.09Å; P675-A707 HydrophobicContact CG-CB 4.32Å; P675-L739 HydrophobicContact CB-CD2 4.21Å; P675-L739 HydrophobicContact CG-CD2 4.32Å
676E88.1Confident90.5Very high87 Ų8742.3 Ų42.341%0.40722%0.215SC..Hα-helixtrans-62-40.9179.4-53.4114.8-162.900112.1A674 S680 L695 R875A674-E676 VanDerWaalsContact C-N 3.32Å; A674-E676 PolarHBondContact O-N 3.27Å; E676-S680 WeakPolarHBondContact O-CB 3.46Å; E676-S680 PolarHBondContact O-N 3.12Å; E676-S680 VanDerWaalsContact O-N 3.15Å; E676-L695 HydrophobicContact CG-CD2 4.31Å; E676-R875 IonicContact OE2-NH2 3Å
677V90Very high90.9Very high27 Ų2742.2 Ų42.216%0.16421%0.213CC..Hα-helixtrans-72-47.4-178.3179.80000110.5Q653 A674 P675 S680 L681Q653-V677 HydrophobicContact CB-CG2 4.38Å; A674-V677 HydrophobicContact CB-CB 4.28Å; A674-V677 HydrophobicContact CB-CG2 4.01Å; A674-V677 PolarHBondContact O-N 3.37Å; P675-V677 VanDerWaalsContact C-N 3.33Å; P675-V677 PolarHBondContact O-N 3.15Å; V677-S680 PolarHBondContact O-N 3.41Å; V677-S680 PolarHBondContact O-OG 3.01Å; V677-L681 HydrophobicContact CG1-CD1 4.44Å; V677-L681 WeakPolarHBondContact O-CG 3.23Å; V677-L681 PolarHBondContact O-N 3.14Å
678V92Very high90.9Very high0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-62.5-45.7178.9176.40000110.2M671 A674 S680 L681 C682 A707 A709M671-V678 HydrophobicContact CG-CG2 4.35Å; M671-V678 HydrophobicContact SD-CG1 4.36Å; M671-V678 HydrophobicContact SD-CG2 4.18Å; A674-V678 WeakPolarHBondContact O-CG2 3.41Å; A674-V678 PolarHBondContact O-N 2.95Å; V678-S680 VanDerWaalsContact C-N 3.26Å; V678-S680 PolarHBondContact O-N 3.07Å; V678-L681 PolarHBondContact O-N 3.18Å; V678-C682 PolarHBondContact O-N 3.34Å; V678-C682 PolarHBondContact O-SG 3.5Å; V678-A707 HydrophobicContact CB-CB 3.81Å; V678-A707 HydrophobicContact CG1-CB 3.96Å; V678-A707 HydrophobicContact CG2-CB 4.18Å; V678-A709 HydrophobicContact CG1-CB 3.59Å
679A91.3Very high90.7Very high19 Ų1951.5 Ų51.516%0.15726%0.257CS..Hα-helixtrans-59.1-36.4177.300000112.5P675 L681 C682 V687 F691P675-A679 WeakPolarHBondContact O-CB 3.44Å; P675-A679 PolarHBondContact O-N 2.87Å; A679-L681 PolarHBondContact O-N 3.29Å; A679-C682 PolarHBondContact O-N 3.19Å; A679-V687 HydrophobicContact CB-CG1 4.47Å; A679-V687 HydrophobicContact CB-CG2 4.5Å; A679-F691 HydrophobicContact CB-CE1 3.89Å; A679-F691 HydrophobicContact CB-CE2 4.32Å; A679-F691 HydrophobicContact CB-CZ 3.76Å
680S91.6Very high90.4Very high89 Ų8954.8 Ų54.862%0.62228%0.275SS*.Hα-helixtrans-65.8-22.7177.178.90000114.2E676 V677 V678E676-S680 WeakPolarHBondContact O-CB 3.46Å; E676-S680 PolarHBondContact O-N 3.12Å; E676-S680 VanDerWaalsContact O-N 3.15Å; V677-S680 PolarHBondContact O-N 3.41Å; V677-S680 PolarHBondContact O-OG 3.01Å; V678-S680 VanDerWaalsContact C-N 3.26Å; V678-S680 PolarHBondContact O-N 3.07Å
681L92.4Very high90.2Very high42 Ų4255.9 Ų55.922%0.2228%0.279CS..Hα-helixtrans-97.6-8.5-179.6-62.5173.8000112.5M671 V677 V678 A679 N733 L734M671-L681 HydrophobicContact CE-CD1 3.99Å; M671-L681 HydrophobicContact SD-CD1 4.03Å; V677-L681 HydrophobicContact CG1-CD1 4.44Å; V677-L681 WeakPolarHBondContact O-CG 3.23Å; V677-L681 PolarHBondContact O-N 3.14Å; V678-L681 PolarHBondContact O-N 3.18Å; A679-L681 PolarHBondContact O-N 3.29Å; L681-N733 PolarHBondContact O-N 3.32Å; L681-N733 VanDerWaalsContact O-N 3.16Å; L681-L734 HydrophobicContact CB-CD1 4.17Å; L681-L734 PolarHBondContact O-N 3.35Å; L681-L734 VanDerWaalsContact O-N 3.12Å
682C93.1Very high89.8Confident11 Ų1159 Ų597%0.07431%0.305CS..BIsolated β-bridgetrans-87.2158.3178.3-69.30000112.9V678 A679 R684 V687 A709 L734 F736V678-C682 PolarHBondContact O-N 3.34Å; V678-C682 PolarHBondContact O-SG 3.5Å; A679-C682 PolarHBondContact O-N 3.19Å; C682-R684 PolarHBondContact O-N 2.93Å; C682-V687 HydrophobicContact CB-CG2 3.91Å; C682-A709 WeakPolarHBondContact SG-CB 3.39Å; C682-L734 CarbonylContact C-O 3.6Å; C682-L734 WeakPolarHBondContact CA-O 3.37Å; C682-L734 WeakPolarHBondContact CB-O 3.5Å; C682-F736 HydrophobicContact CB-CB 4.14Å
683K91.7Very high89.5Confident81 Ų8165.6 Ų65.635%0.35234%0.336SS..  trans-62.4127.2168.4-63.8176.1-169.3169.20108.8E685 T686 N733 L734 E735K683-E685 PolarHBondContact O-N 3.47Å; K683-E685 VanDerWaalsContact O-N 3.13Å; K683-T686 HydrophobicContact CB-CG2 4.23Å; K683-T686 PolarHBondContact O-N 3.48Å; K683-T686 PolarHBondContact O-OG1 2.92Å; K683-N733 WeakPolarHBondContact CE-O 3.41Å; K683-L734 PolarHBondContact N-O 3.35Å; K683-E735 HydrophobicContact CD-CG 4.19Å; K683-E735 IonicContact NZ-OE1 2.65Å; K683-E735 PolarHBondContact NZ-OE1 2.82Å
684R86.9Confident89.3Confident234 Ų23466.6 Ų66.688%0.88334%0.341SS*.G310 helixtrans-54.7-34.3-178.2-72.5-171.3174.8178.2-1.2113.5C682 T686 V687C682-R684 PolarHBondContact O-N 2.93Å; R684-T686 PolarHBondContact O-N 3.05Å; R684-V687 PolarHBondContact O-N 2.99Å
685E87.4Confident89.2Confident179 Ų17966.3 Ų66.384%0.83634%0.336SS*.G310 helixtrans-64.6-23.3178.7-61.4165-150.300113.7K683K683-E685 PolarHBondContact O-N 3.47Å; K683-E685 VanDerWaalsContact O-N 3.13Å
686T88.7Confident88.9Confident28 Ų2870.2 Ų70.217%0.17235%0.354CS..G310 helixtrans-93.1-15.6-17963.10000113.3K683 R684 E735 F736K683-T686 HydrophobicContact CB-CG2 4.23Å; K683-T686 PolarHBondContact O-N 3.48Å; K683-T686 PolarHBondContact O-OG1 2.92Å; R684-T686 PolarHBondContact O-N 3.05Å; T686-E735 HydrophobicContact CG2-CB 4.13Å; T686-E735 HydrophobicContact CG2-CG 4.15Å; T686-F736 PolarHBondContact OG1-N 3.49Å
687V89.5Confident88.7Confident31 Ų3167.4 Ų67.419%0.18835%0.348CS..SBendtrans-87.9122.8-179.7-1790000108.5A679 C682 R684 F691 F736A679-V687 HydrophobicContact CB-CG1 4.47Å; A679-V687 HydrophobicContact CB-CG2 4.5Å; C682-V687 HydrophobicContact CB-CG2 3.91Å; R684-V687 PolarHBondContact O-N 2.99Å; V687-F691 HydrophobicContact CG1-CB 3.88Å; V687-F691 HydrophobicContact CG1-CD1 4.41Å; V687-F691 HydrophobicContact CG1-CD2 4.22Å; V687-F691 HydrophobicContact CG1-CG 3.92Å; V687-F736 HydrophobicContact CG2-CB 4.02Å; V687-F736 HydrophobicContact CG2-CD2 4.42Å; V687-F736 HydrophobicContact CG2-CG 4.27Å
688P88.8Confident88.5Confident4 Ų467.6 Ų67.63%0.02635%0.346CS..  trans-60.5144.2180-2433.8000113.3V535 G538 F540 N690 F691V535-P688 HydrophobicContact CB-CG 4.38Å; V535-P688 HydrophobicContact CG1-CG 3.81Å; V535-P688 HydrophobicContact CG2-CG 3.56Å; G538-P688 WeakPolarHBondContact O-CA 3.24Å; G538-P688 WeakPolarHBondContact O-CB 3.3Å; F540-P688 HydrophobicContact CD1-CG 4.24Å; F540-P688 HydrophobicContact CD2-CB 3.83Å; F540-P688 HydrophobicContact CD2-CG 3.95Å; F540-P688 HydrophobicContact CE1-CG 4.12Å; F540-P688 HydrophobicContact CE2-CB 3.72Å; F540-P688 HydrophobicContact CE2-CG 3.82Å; F540-P688 HydrophobicContact CG-CB 4.48Å; F540-P688 HydrophobicContact CG-CG 4.16Å; F540-P688 HydrophobicContact CZ-CB 4.28Å; F540-P688 HydrophobicContact CZ-CG 3.92Å; P688-N690 WeakPolarHBondContact CB-OD1 3.34Å; P688-N690 PolarHBondContact O-N 3.21Å; P688-F691 WeakPolarHBondContact O-CB 3.39Å; P688-F691 PolarHBondContact O-N 3.07Å
689E86.1Confident88Confident204 Ų20468 Ų6895%0.95335%0.349SS*.THydrogen-bonded Turntrans-61.6-32.9179.3-64.9-170.5167.500112.4F691E689-F691 VanDerWaalsContact C-N 3.29Å; E689-F691 PolarHBondContact O-N 2.82Å
690N86.9Confident87.5Confident69 Ų6972.3 Ų72.337%0.36936%0.364SS..THydrogen-bonded Turntrans-86.813.1176.266.9-24.9000114F540 P688 A692 E693 V694F540-N690 VanDerWaalsContact CD2-OD1 3.24Å; F540-N690 WeakPolarHBondContact CD2-OD1 3.36Å; P688-N690 WeakPolarHBondContact CB-OD1 3.34Å; P688-N690 PolarHBondContact O-N 3.21Å; N690-A692 PolarHBondContact O-N 3.45Å; N690-E693 PolarHBondContact O-N 2.66Å; N690-V694 WeakPolarHBondContact O-CG2 3.14Å; N690-V694 PolarHBondContact O-N 3.32Å
691F89.4Confident87Confident22 Ų2273.6 Ų73.610%0.09636%0.36CS..Hα-helixtrans-52.1-48.8-179.8171.4-94.3000113.3F540 P675 A679 V687 P688 E689 E693 L695 F736 L739F540-F691 HydrophobicContact CE2-CB 4.48Å; F540-F691 HydrophobicContact CZ-CB 4.44Å; F540-F691 HydrophobicContact CZ-CD2 4.07Å; P675-F691 HydrophobicContact CB-CE2 4.35Å; P675-F691 HydrophobicContact CB-CZ 3.77Å; P675-F691 WeakPolarHBondContact O-CZ 3.23Å; A679-F691 HydrophobicContact CB-CE1 3.89Å; A679-F691 HydrophobicContact CB-CE2 4.32Å; A679-F691 HydrophobicContact CB-CZ 3.76Å; V687-F691 HydrophobicContact CG1-CB 3.88Å; V687-F691 HydrophobicContact CG1-CD1 4.41Å; V687-F691 HydrophobicContact CG1-CD2 4.22Å; V687-F691 HydrophobicContact CG1-CG 3.92Å; P688-F691 WeakPolarHBondContact O-CB 3.39Å; P688-F691 PolarHBondContact O-N 3.07Å; E689-F691 VanDerWaalsContact C-N 3.29Å; E689-F691 PolarHBondContact O-N 2.82Å; F691-E693 PolarHBondContact O-N 2.6Å; F691-L695 HydrophobicContact CE1-CD2 4.05Å; F691-L695 HydrophobicContact CZ-CD2 4.09Å; F691-L695 VanDerWaalsContact O-CB 3.27Å; F691-L695 WeakPolarHBondContact O-CB 3.48Å; F691-L695 PolarHBondContact O-N 2.95Å; F691-F736 HydrophobicContact CD2-CE1 4.33Å; F691-F736 HydrophobicContact CD2-CE2 4.41Å; F691-F736 AromaticContact CD2-CZ 3.9Å; F691-F736 HydrophobicContact CD2-CZ 3.9Å; F691-F736 HydrophobicContact CE2-CE1 4.39Å; F691-F736 AromaticContact CE2-CE2 3.82Å; F691-F736 HydrophobicContact CE2-CE2 3.82Å; F691-F736 AromaticContact CE2-CZ 3.54Å; F691-F736 HydrophobicContact CE2-CZ 3.54Å; F691-L739 HydrophobicContact CE2-CD2 4.1Å
692A87Confident86.2Confident66 Ų6672 Ų7255%0.54535%0.353SS..Hα-helixtrans-64.7-40.7-177.500000112N690 E696N690-A692 PolarHBondContact O-N 3.45Å; A692-E696 VanDerWaalsContact O-CB 3.24Å; A692-E696 WeakPolarHBondContact O-CB 3.5Å; A692-E696 PolarHBondContact O-N 3.33Å
693E87Confident85.8Confident148 Ų14872 Ų7269%0.69235%0.352SS*.Hα-helixtrans-68-44-179.8-173.7177.7-171.500111.8N690 F691 E696 G697N690-E693 PolarHBondContact O-N 2.66Å; F691-E693 PolarHBondContact O-N 2.6Å; E693-E696 PolarHBondContact O-N 3.17Å; E693-G697 PolarHBondContact O-N 3.14Å
694V87Confident85.5Confident30 Ų3072.2 Ų72.218%0.18235%0.351CS..Hα-helixtrans-65.5-44.3177.4173.40000111.1F540 N690 G697 Y698 L739F540-V694 HydrophobicContact CD2-CB 4.37Å; F540-V694 HydrophobicContact CD2-CG1 4.49Å; F540-V694 HydrophobicContact CD2-CG2 3.87Å; F540-V694 HydrophobicContact CE2-CB 3.86Å; F540-V694 HydrophobicContact CE2-CG1 4.16Å; F540-V694 HydrophobicContact CE2-CG2 3.79Å; F540-V694 HydrophobicContact CZ-CB 4.34Å; F540-V694 HydrophobicContact CZ-CG1 4.3Å; N690-V694 WeakPolarHBondContact O-CG2 3.14Å; N690-V694 PolarHBondContact O-N 3.32Å; V694-G697 PolarHBondContact O-N 3.44Å; V694-Y698 HydrophobicContact CG1-CD2 3.81Å; V694-Y698 HydrophobicContact CG1-CE2 3.53Å; V694-Y698 VanDerWaalsContact O-CD2 3.28Å; V694-Y698 WeakPolarHBondContact O-CD2 3.41Å; V694-Y698 PolarHBondContact O-N 2.76Å; V694-Y698 VanDerWaalsContact O-N 3.08Å; V694-L739 HydrophobicContact CG1-CD1 4.45Å
695L87.5Confident85.6Confident13 Ų1361.8 Ų61.87%0.06831%0.313CS..Hα-helixtrans-61-45.4175.8177.663000111.4P675 E676 F691 G697 Y698 T699 V705P675-L695 HydrophobicContact CB-CD1 3.77Å; P675-L695 HydrophobicContact CB-CD2 3.76Å; P675-L695 HydrophobicContact CB-CG 4.41Å; P675-L695 HydrophobicContact CG-CD1 3.71Å; E676-L695 HydrophobicContact CG-CD2 4.31Å; F691-L695 HydrophobicContact CE1-CD2 4.05Å; F691-L695 HydrophobicContact CZ-CD2 4.09Å; F691-L695 VanDerWaalsContact O-CB 3.27Å; F691-L695 WeakPolarHBondContact O-CB 3.48Å; F691-L695 PolarHBondContact O-N 2.95Å; L695-G697 VanDerWaalsContact C-N 3.32Å; L695-G697 PolarHBondContact O-N 3.34Å; L695-Y698 PolarHBondContact O-N 3.38Å; L695-T699 HydrophobicContact CD1-CG2 3.99Å; L695-T699 HydrophobicContact CG-CG2 4.44Å; L695-T699 WeakPolarHBondContact O-CB 3.41Å; L695-T699 VanDerWaalsContact O-CG2 3.29Å; L695-T699 WeakPolarHBondContact O-CG2 3.43Å; L695-T699 PolarHBondContact O-N 2.9Å; L695-T699 PolarHBondContact O-OG1 3.21Å; L695-V705 HydrophobicContact CD1-CB 3.91Å; L695-V705 HydrophobicContact CD1-CG1 3.85Å; L695-V705 HydrophobicContact CD1-CG2 4.29Å
696E83.8Confident85.8Confident90 Ų9053.9 Ų53.942%0.42128%0.276SS..Hα-helixtrans-62.5-39.7176.4-169.8178.3174.700111.2A692 E693 T699 K700A692-E696 VanDerWaalsContact O-CB 3.24Å; A692-E696 WeakPolarHBondContact O-CB 3.5Å; A692-E696 PolarHBondContact O-N 3.33Å; E693-E696 PolarHBondContact O-N 3.17Å; E696-T699 WeakPolarHBondContact CA-OG1 3.13Å; E696-T699 PolarHBondContact O-N 3.31Å; E696-T699 PolarHBondContact O-OG1 2.97Å; E696-K700 HydrophobicContact CG-CD 4.05Å; E696-K700 HydrophobicContact CG-CG 4.32Å; E696-K700 VanDerWaalsContact O-CB 3.23Å; E696-K700 WeakPolarHBondContact O-CB 3.48Å; E696-K700 VanDerWaalsContact O-CG 3.24Å; E696-K700 WeakPolarHBondContact O-CG 3.43Å; E696-K700 PolarHBondContact O-N 3.36Å; E696-K700 WeakPolarHBondContact OE1-CE 3.44Å; E696-K700 IonicContact OE1-NZ 2.95Å; E696-K700 PolarHBondContact OE1-NZ 2.91Å
697G85.2Confident86Confident28 Ų2852.6 Ų52.629%0.28927%0.268SS..Hα-helixtrans-59.6-47.8176.200000113.6E693 V694 L695 Q701E693-G697 PolarHBondContact O-N 3.14Å; V694-G697 PolarHBondContact O-N 3.44Å; L695-G697 VanDerWaalsContact C-N 3.32Å; L695-G697 PolarHBondContact O-N 3.34Å; G697-Q701 WeakPolarHBondContact O-CG 3.45Å; G697-Q701 PolarHBondContact O-N 3.33Å; G697-Q701 PolarHBondContact O-NE2 2.87Å; G697-Q701 VanDerWaalsContact O-NE2 3.09Å
698Y86.2Confident86.2Confident31 Ų3151.1 Ų51.112%0.12226%0.259CS..Hα-helixtrans-70.9-41177.7-74.1-60000112.7W530 Q533 V694 L695 K700 Q701 G702 F703 V705 I741W530-Y698 HydrophobicContact CH2-CE1 4.31Å; W530-Y698 AromaticContact CZ3-CE1 3.86Å; W530-Y698 HydrophobicContact CZ3-CE1 3.86Å; Q533-Y698 PolarHBondContact OE1-OH 3Å; V694-Y698 HydrophobicContact CG1-CD2 3.81Å; V694-Y698 HydrophobicContact CG1-CE2 3.53Å; V694-Y698 VanDerWaalsContact O-CD2 3.28Å; V694-Y698 WeakPolarHBondContact O-CD2 3.41Å; V694-Y698 PolarHBondContact O-N 2.76Å; V694-Y698 VanDerWaalsContact O-N 3.08Å; L695-Y698 PolarHBondContact O-N 3.38Å; Y698-K700 PolarHBondContact O-N 3.45Å; Y698-Q701 PolarHBondContact O-N 3.43Å; Y698-G702 PolarHBondContact O-N 3.4Å; Y698-F703 AromaticContact CD1-CD2 3.97Å; Y698-F703 HydrophobicContact CD1-CD2 3.97Å; Y698-F703 HydrophobicContact CD1-CE2 4.49Å; Y698-F703 PolarHBondContact O-N 3.28Å; Y698-F703 VanDerWaalsContact O-N 3.15Å; Y698-V705 HydrophobicContact CG-CG2 4.47Å; Y698-I741 HydrophobicContact CD1-CG1 4.14Å; Y698-I741 HydrophobicContact CD1-CG2 4.15Å; Y698-I741 HydrophobicContact CD2-CG1 4.22Å; Y698-I741 HydrophobicContact CE1-CG1 4.1Å; Y698-I741 HydrophobicContact CE1-CG2 4.49Å; Y698-I741 HydrophobicContact CE2-CD1 4.28Å; Y698-I741 HydrophobicContact CE2-CG1 4.16Å; Y698-I741 HydrophobicContact CG-CG1 4.21Å
699T81.7Confident86.5Confident9 Ų950.9 Ų50.96%0.05526%0.258CS..Hα-helixtrans-69.2-32.9-179.852.60000112.5L695 E696 Q701 G702 V705L695-T699 HydrophobicContact CD1-CG2 3.99Å; L695-T699 HydrophobicContact CG-CG2 4.44Å; L695-T699 WeakPolarHBondContact O-CB 3.41Å; L695-T699 VanDerWaalsContact O-CG2 3.29Å; L695-T699 WeakPolarHBondContact O-CG2 3.43Å; L695-T699 PolarHBondContact O-N 2.9Å; L695-T699 PolarHBondContact O-OG1 3.21Å; E696-T699 WeakPolarHBondContact CA-OG1 3.13Å; E696-T699 PolarHBondContact O-N 3.31Å; E696-T699 PolarHBondContact O-OG1 2.97Å; T699-Q701 VanDerWaalsContact C-N 3.27Å; T699-Q701 PolarHBondContact O-N 2.88Å; T699-G702 PolarHBondContact O-N 2.93Å; T699-G702 VanDerWaalsContact O-N 3.1Å; T699-V705 HydrophobicContact CG2-CG2 4.21Å
700K79.6Confident86.9Confident109 Ų10942.2 Ų42.247%0.47422%0.217SC..Hα-helixtrans-64.7-29.1170.9-82.3178.7178.21660113.6E696 Y698 G702 S777E696-K700 HydrophobicContact CG-CD 4.05Å; E696-K700 HydrophobicContact CG-CG 4.32Å; E696-K700 VanDerWaalsContact O-CB 3.23Å; E696-K700 WeakPolarHBondContact O-CB 3.48Å; E696-K700 VanDerWaalsContact O-CG 3.24Å; E696-K700 WeakPolarHBondContact O-CG 3.43Å; E696-K700 PolarHBondContact O-N 3.36Å; E696-K700 WeakPolarHBondContact OE1-CE 3.44Å; E696-K700 IonicContact OE1-NZ 2.95Å; E696-K700 PolarHBondContact OE1-NZ 2.91Å; Y698-K700 PolarHBondContact O-N 3.45Å; K700-G702 PolarHBondContact O-N 3.5Å; K700-S777 PolarHBondContact O-OG 3.23Å
701Q81Confident87.1Confident117 Ų11740.7 Ų40.755%0.54721%0.207SC..THydrogen-bonded Turntrans-82.72.9174.5-68.6172.557.800112.6G697 Y698 T699 F703G697-Q701 WeakPolarHBondContact O-CG 3.45Å; G697-Q701 PolarHBondContact O-N 3.33Å; G697-Q701 PolarHBondContact O-NE2 2.87Å; G697-Q701 VanDerWaalsContact O-NE2 3.09Å; Y698-Q701 PolarHBondContact O-N 3.43Å; T699-Q701 VanDerWaalsContact C-N 3.27Å; T699-Q701 PolarHBondContact O-N 2.88Å; Q701-F703 VanDerWaalsContact C-N 3.35Å; Q701-F703 HydrophobicContact CB-CD2 3.67Å; Q701-F703 HydrophobicContact CB-CE2 3.65Å
702G76.2Confident87.1Confident7 Ų745.8 Ų45.87%0.07223%0.225CC..THydrogen-bonded Turntrans82.49177.300000114.7Y698 T699 K700 S777Y698-G702 PolarHBondContact O-N 3.4Å; T699-G702 PolarHBondContact O-N 2.93Å; T699-G702 VanDerWaalsContact O-N 3.1Å; K700-G702 PolarHBondContact O-N 3.5Å; G702-S777 VanDerWaalsContact CA-CB 3.45Å; G702-S777 VanDerWaalsContact CA-OG 3.3Å; G702-S777 WeakPolarHBondContact CA-OG 3.23Å; G702-S777 PolarHBondContact N-OG 3.15Å
703F85.1Confident87Confident13 Ų1343.1 Ų43.16%0.05720%0.201CC..EExtended strand (participates in β ladder)trans-74.8145.8174.5-61.8-66.2000111.7W530 Y698 Q701 I741 M742 Q743W530-F703 HydrophobicContact CB-CD1 4.4Å; W530-F703 HydrophobicContact CB-CE1 4.22Å; W530-F703 AromaticContact CD1-CE1 3.47Å; W530-F703 VanDerWaalsContact CD1-CE1 3.47Å; W530-F703 AromaticContact CD1-CZ 3.83Å; W530-F703 HydrophobicContact CD2-CE1 4.07Å; W530-F703 HydrophobicContact CD2-CZ 4.06Å; W530-F703 AromaticContact CE2-CZ 3.76Å; W530-F703 HydrophobicContact CG-CD1 4.23Å; W530-F703 AromaticContact CG-CE1 3.65Å; W530-F703 HydrophobicContact CG-CE1 3.65Å; W530-F703 HydrophobicContact CG-CZ 4.1Å; W530-F703 HydrophobicContact CZ2-CZ 4.33Å; W530-F703 AromaticContact NE1-CE1 3.76Å; W530-F703 AromaticContact NE1-CZ 3.59Å; Y698-F703 AromaticContact CD1-CD2 3.97Å; Y698-F703 HydrophobicContact CD1-CD2 3.97Å; Y698-F703 HydrophobicContact CD1-CE2 4.49Å; Y698-F703 PolarHBondContact O-N 3.28Å; Y698-F703 VanDerWaalsContact O-N 3.15Å; Q701-F703 VanDerWaalsContact C-N 3.35Å; Q701-F703 HydrophobicContact CB-CD2 3.67Å; Q701-F703 HydrophobicContact CB-CE2 3.65Å; F703-I741 HydrophobicContact CB-CG2 3.59Å; F703-I741 HydrophobicContact CD1-CG2 3.91Å; F703-I741 HydrophobicContact CD2-CG2 4.16Å; F703-I741 HydrophobicContact CG-CG2 3.62Å; F703-M742 CarbonylContact C-O 3.58Å; F703-M742 WeakPolarHBondContact CA-O 3.33Å; F703-Q743 HydrophobicContact CD1-CB 3.94Å; F703-Q743 HydrophobicContact CD1-CG 4.12Å; F703-Q743 HydrophobicContact CE1-CB 4.02Å; F703-Q743 HydrophobicContact CE1-CG 4Å
704R84.3Confident86.5Confident85 Ų8538.6 Ų38.632%0.32120%0.195SC..EExtended strand (participates in β ladder)trans-88.2119.8167.9-176.9175.2-177.2164.2-4.2108.1L527 M742L527-R704 HydrophobicContact CD2-CB 4.28Å; R704-M742 HydrophobicContact CB-CB 4.36Å; R704-M742 PolarHBondContact N-O 2.93Å; R704-M742 PolarHBondContact O-N 3.43Å
705V88.6Confident85.5Confident15 Ų1541.6 Ų41.69%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-112.2134.7-175.6-172.30000110.2P675 L695 Y698 T699 L739 I740P675-V705 WeakPolarHBondContact CD-O 3.38Å; P675-V705 HydrophobicContact CG-CB 4.24Å; P675-V705 HydrophobicContact CG-CG1 3.99Å; P675-V705 WeakPolarHBondContact CG-O 3.39Å; L695-V705 HydrophobicContact CD1-CB 3.91Å; L695-V705 HydrophobicContact CD1-CG1 3.85Å; L695-V705 HydrophobicContact CD1-CG2 4.29Å; Y698-V705 HydrophobicContact CG-CG2 4.47Å; T699-V705 HydrophobicContact CG2-CG2 4.21Å; V705-L739 HydrophobicContact CG1-CB 3.91Å; V705-L739 HydrophobicContact CG1-CD1 4.04Å; V705-L739 HydrophobicContact CG1-CD2 3.9Å; V705-L739 HydrophobicContact CG1-CG 4.17Å; V705-I740 WeakPolarHBondContact CA-O 3.5Å
706I91.3Very high84.4Confident13 Ų1349.8 Ų49.87%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-126.1133178.5-53179.3000108.4L579 K672 L739 I740 M742L579-I706 HydrophobicContact CD1-CD1 3.45Å; L579-I706 VanDerWaalsContact CD1-CD1 3.45Å; L579-I706 HydrophobicContact CD2-CD1 3.61Å; L579-I706 HydrophobicContact CG-CD1 3.71Å; K672-I706 HydrophobicContact CB-CG2 4.24Å; I706-L739 CarbonylContact O-C 3.58Å; I706-L739 VanDerWaalsContact O-CA 3.29Å; I706-L739 WeakPolarHBondContact O-CA 3.47Å; I706-I740 HydrophobicContact CB-CB 4.36Å; I706-I740 PolarHBondContact N-O 2.89Å; I706-I740 PolarHBondContact O-N 3.43Å; I706-M742 HydrophobicContact CD1-CE 3.49Å; I706-M742 VanDerWaalsContact CD1-CE 3.49Å; I706-M742 HydrophobicContact CD1-SD 4.05Å; I706-M742 HydrophobicContact CG1-CE 4.48Å
707A93.6Very high83.7Confident0 Ų046.9 Ų46.90%024%0.239CC..EExtended strand (participates in β ladder)trans-95.1146.8174.900000111.8K672 G673 P675 V678 F736 G738 L739K672-A707 VanDerWaalsContact CA-O 3.3Å; K672-A707 WeakPolarHBondContact CA-O 3.39Å; G673-A707 PolarHBondContact N-O 3.16Å; G673-A707 VanDerWaalsContact N-O 3.12Å; G673-A707 PolarHBondContact O-N 2.87Å; P675-A707 HydrophobicContact CB-CB 4.09Å; P675-A707 HydrophobicContact CG-CB 4.32Å; V678-A707 HydrophobicContact CB-CB 3.81Å; V678-A707 HydrophobicContact CG1-CB 3.96Å; V678-A707 HydrophobicContact CG2-CB 4.18Å; A707-F736 HydrophobicContact CB-CE2 3.72Å; A707-F736 HydrophobicContact CB-CZ 4.14Å; A707-G738 WeakPolarHBondContact CA-O 3.37Å; A707-L739 HydrophobicContact CB-CD2 3.78Å
708L94.4Very high83.1Confident0 Ų050.6 Ų50.60%025%0.253CS..EExtended strand (participates in β ladder)trans-114.2144.6172.9-58-174.5000110.8F557 C560 M561 M671 K672 L737 G738 I740F557-L708 HydrophobicContact CD1-CD1 4.2Å; F557-L708 HydrophobicContact CD2-CD1 4.07Å; F557-L708 HydrophobicContact CE1-CD1 3.8Å; F557-L708 HydrophobicContact CE2-CB 4.4Å; F557-L708 HydrophobicContact CE2-CD1 3.68Å; F557-L708 HydrophobicContact CE2-CG 4.29Å; F557-L708 HydrophobicContact CG-CD1 4.3Å; F557-L708 HydrophobicContact CZ-CD1 3.51Å; F557-L708 HydrophobicContact CZ-CG 4.3Å; C560-L708 HydrophobicContact CB-CD1 4.14Å; M561-L708 HydrophobicContact CG-CD1 3.77Å; M671-L708 CarbonylContact O-C 3.57Å; M671-L708 WeakPolarHBondContact O-CA 3.12Å; K672-L708 HydrophobicContact CB-CD2 3.52Å; L708-L737 HydrophobicContact CB-CB 4.08Å; L708-L737 HydrophobicContact CB-CD1 4.3Å; L708-L737 PolarHBondContact O-N 2.81Å; L708-G738 PolarHBondContact N-O 3.05Å; L708-I740 HydrophobicContact CD1-CD1 3.96Å; L708-I740 HydrophobicContact CD1-CG1 4.16Å; L708-I740 HydrophobicContact CD2-CD1 3.96Å; L708-I740 HydrophobicContact CG-CD1 4.08Å; L708-I740 HydrophobicContact CG-CG1 4.24Å
709A94.6Very high82.3Confident0 Ų053 Ų530%026%0.261CS..EExtended strand (participates in β ladder)trans-143.9156.4173.700000111.6M671 V678 C682 L734 E735M671-A709 HydrophobicContact CB-CB 4.39Å; M671-A709 PolarHBondContact N-O 2.87Å; M671-A709 PolarHBondContact O-N 3.38Å; V678-A709 HydrophobicContact CG1-CB 3.59Å; C682-A709 WeakPolarHBondContact SG-CB 3.39Å; A709-L734 HydrophobicContact CB-CB 3.9Å; A709-L734 HydrophobicContact CB-CD2 4.48Å; A709-E735 CarbonylContact C-O 3.58Å; A709-E735 VanDerWaalsContact CA-O 3.22Å; A709-E735 WeakPolarHBondContact CA-O 3.33Å; A709-E735 WeakPolarHBondContact CB-O 3.33Å
710H93.9Very high81.7Confident21 Ų2160 Ų6010%0.09729%0.293CS..EExtended strand (participates in β ladder)trans-137149-175.7121.488.3000111.4V669 Y670 E735 L737V669-H710 CarbonylContact O-C 3.6Å; V669-H710 VanDerWaalsContact O-CA 3.25Å; V669-H710 WeakPolarHBondContact O-CA 3.31Å; Y670-H710 HydrophobicContact CD1-CB 4Å; Y670-H710 HydrophobicContact CE1-CB 4.06Å; H710-E735 IonicContact CD2-OE2 3.47Å; H710-E735 PolarHBondContact N-O 2.91Å; H710-E735 IonicContact NE2-OE2 3.32Å; H710-E735 PolarHBondContact NE2-OE2 3.28Å; H710-E735 WeakPolarHBondContact O-CB 3.32Å; H710-E735 PolarHBondContact O-N 3.44Å; H710-L737 HydrophobicContact CB-CD1 3.6Å; H710-L737 HydrophobicContact CB-CD2 3.98Å; H710-L737 HydrophobicContact CB-CG 3.84Å
711R92.3Very high81.4Confident38 Ų3861 Ų6114%0.14330%0.298CS..EExtended strand (participates in β ladder)trans-149.3131.5169.5-174175.867.81543.6111V669 Y729 I730 A732 N733 L734V669-R711 HydrophobicContact CB-CB 4.48Å; V669-R711 PolarHBondContact N-O 2.83Å; V669-R711 PolarHBondContact O-N 3.43Å; R711-Y729 PolarHBondContact NH1-O 3.47Å; R711-Y729 PolarHBondContact NH2-O 2.87Å; R711-I730 VanDerWaalsContact NH2-CA 3.26Å; R711-I730 PolarHBondContact NH2-O 2.82Å; R711-A732 WeakPolarHBondContact CD-O 3.1Å; R711-A732 PolarHBondContact NE-O 3.32Å; R711-A732 PolarHBondContact NH1-O 3.18Å; R711-N733 WeakPolarHBondContact CD-O 3.19Å; R711-L734 HydrophobicContact CB-CB 4.48Å; R711-L734 HydrophobicContact CB-CD2 3.73Å; R711-L734 HydrophobicContact CB-CG 4.13Å
712R88.9Confident81.1Confident129 Ų12955.5 Ų55.549%0.48727%0.272SS..EExtended strand (participates in β ladder)trans-81.8123.5171.7-159.8157-161.3-174.24111E664 C666 D668E664-R712 IonicContact OE1-CZ 3.48Å; E664-R712 IonicContact OE1-NH2 2.78Å; E664-R712 PolarHBondContact OE1-NH2 3.38Å; E664-R712 IonicContact OE2-CZ 3.94Å; E664-R712 IonicContact OE2-NH2 2.62Å; E664-R712 PolarHBondContact OE2-NH2 2.79Å; C666-R712 HydrophobicContact CB-CG 4.21Å; D668-R712 WeakPolarHBondContact OD1-CA 3.47Å; D668-R712 WeakPolarHBondContact OD1-CB 3.31Å; D668-R712 VanDerWaalsContact OD1-CG 3.32Å; D668-R712 WeakPolarHBondContact OD1-CG 3.49Å; D668-R712 IonicContact OD1-NE 3.2Å
713L85.4Confident80.9Confident9 Ų958 Ų585%0.04728%0.282CS..PPolyproline II helixtrans-81.5144.5178.5-66.7172.7000111.1V658 M667 V669 L717 I730V658-L713 HydrophobicContact CG1-CD1 4.07Å; M667-L713 HydrophobicContact CB-CD1 4.19Å; M667-L713 WeakPolarHBondContact O-CB 3.24Å; M667-L713 PolarHBondContact O-N 2.7Å; V669-L713 HydrophobicContact CG2-CD1 3.5Å; V669-L713 VanDerWaalsContact CG2-CD1 3.5Å; V669-L713 HydrophobicContact CG2-CD2 3.88Å; V669-L713 HydrophobicContact CG2-CG 3.59Å; L713-L717 HydrophobicContact CB-CD1 4.3Å; L713-L717 HydrophobicContact CD2-CD1 4.3Å; L713-I730 HydrophobicContact CD1-CD1 4.32Å; L713-I730 HydrophobicContact CD2-CD1 4.47Å
714G75.5Confident80.2Confident53 Ų5363.1 Ų63.155%0.54631%0.31SS..PPolyproline II helixtrans-65.7151177.200000113K716 L717G714-K716 PolarHBondContact O-N 3.45Å; G714-L717 PolarHBondContact O-N 3.38Å
715S65.9Low79.9Confident94 Ų9460.5 Ų60.566%0.65730%0.303SS*.THydrogen-bonded Turntrans-62-1.1-174.5590000116.5
716K65Low79.5Confident184 Ų18464.2 Ų64.280%0.832%0.323SS*.THydrogen-bonded Turntrans-87.1-8.6-179.5-64.7-177.6-179.6178.50114.1G714G714-K716 PolarHBondContact O-N 3.45Å
717L69.6Low79.2Confident30 Ų3065.2 Ų65.216%0.15733%0.326CS..  trans-92.5103.1-179.8-86.7138.6000110.9L713 G714 K721 V722 V725 Y729L713-L717 HydrophobicContact CB-CD1 4.3Å; L713-L717 HydrophobicContact CD2-CD1 4.3Å; G714-L717 PolarHBondContact O-N 3.38Å; L717-K721 HydrophobicContact CD2-CB 4.46Å; L717-V722 HydrophobicContact CB-CG2 4.09Å; L717-V722 HydrophobicContact CD2-CG2 3.84Å; L717-V725 HydrophobicContact CD2-CG2 3.92Å; L717-Y729 HydrophobicContact CD1-CE1 4.42Å
718N71.3Confident78.8Confident106 Ų10670 Ų7057%0.56735%0.351SS*.  trans-82.3159.5172.1-69.9-6000111H720 K721 V722N718-H720 VanDerWaalsContact C-N 3.33Å; N718-H720 PolarHBondContact O-N 3.26Å; N718-K721 PolarHBondContact O-N 2.87Å; N718-V722 PolarHBondContact O-N 3.16Å; N718-V722 VanDerWaalsContact O-N 3.14Å
719W69.3Low78.4Confident80 Ų8077 Ų7730%0.30338%0.378SS..Hα-helixtrans-44.2-51.2178-178.6-90.7000114I605 P607 V643 K721 V722 Q723I605-W719 HydrophobicContact CD1-CZ2 4.45Å; P607-W719 HydrophobicContact CB-CH2 4.4Å; V643-W719 HydrophobicContact CB-CE3 4.18Å; V643-W719 HydrophobicContact CB-CH2 4Å; V643-W719 HydrophobicContact CB-CZ3 3.57Å; V643-W719 HydrophobicContact CG1-CD2 4.07Å; V643-W719 HydrophobicContact CG1-CE3 3.4Å; V643-W719 VanDerWaalsContact CG1-CE3 3.4Å; V643-W719 HydrophobicContact CG1-CH2 3.7Å; V643-W719 HydrophobicContact CG1-CZ2 4.29Å; V643-W719 HydrophobicContact CG1-CZ3 3.24Å; V643-W719 HydrophobicContact CG2-CE3 4.06Å; V643-W719 HydrophobicContact CG2-CH2 4.28Å; V643-W719 HydrophobicContact CG2-CZ3 3.45Å; V643-W719 VanDerWaalsContact CG2-CZ3 3.45Å; W719-K721 VanDerWaalsContact C-N 3.32Å; W719-K721 PolarHBondContact O-N 2.84Å; W719-V722 PolarHBondContact O-N 3.3Å; W719-Q723 PolarHBondContact O-N 3.06Å
720H69.6Low78Confident156 Ų15677 Ų7772%0.72238%0.378SS*.Hα-helixtrans-62.3-35-180-72.1-81.1000113.7N718N718-H720 VanDerWaalsContact C-N 3.33Å; N718-H720 PolarHBondContact O-N 3.26Å
721K73.1Confident77.8Confident132 Ų13276 Ų7657%0.57437%0.374SS*.Hα-helixtrans-71-39.6178.3-71.4-174.7177179.90110.7L717 N718 W719 Q723 N724 V725L717-K721 HydrophobicContact CD2-CB 4.46Å; N718-K721 PolarHBondContact O-N 2.87Å; W719-K721 VanDerWaalsContact C-N 3.32Å; W719-K721 PolarHBondContact O-N 2.84Å; K721-Q723 PolarHBondContact O-N 2.84Å; K721-N724 PolarHBondContact O-N 3.48Å; K721-N724 VanDerWaalsContact O-N 3.09Å; K721-V725 WeakPolarHBondContact O-CG2 3.09Å; K721-V725 PolarHBondContact O-N 3.45Å; K721-V725 VanDerWaalsContact O-N 3.17Å
722V76.1Confident77.6Confident0 Ų075.9 Ų75.90%038%0.381CS..Hα-helixtrans-61.4-29.7-179171.90000112.5V643 R644 V658 M667 L717 N718 W719 N724V643-V722 HydrophobicContact CG1-CG1 4.08Å; R644-V722 HydrophobicContact CB-CG1 4.32Å; R644-V722 VanDerWaalsContact CD-O 3.22Å; R644-V722 WeakPolarHBondContact CD-O 3.49Å; R644-V722 PolarHBondContact NH1-O 2.91Å; V658-V722 HydrophobicContact CB-CG1 4.18Å; V658-V722 HydrophobicContact CG1-CG1 3.94Å; V658-V722 HydrophobicContact CG2-CG1 4.12Å; M667-V722 HydrophobicContact CE-CG2 4.48Å; M667-V722 HydrophobicContact SD-CG2 3.78Å; L717-V722 HydrophobicContact CB-CG2 4.09Å; L717-V722 HydrophobicContact CD2-CG2 3.84Å; N718-V722 PolarHBondContact O-N 3.16Å; N718-V722 VanDerWaalsContact O-N 3.14Å; W719-V722 PolarHBondContact O-N 3.3Å; V722-N724 VanDerWaalsContact C-N 3.3Å; V722-N724 PolarHBondContact O-N 3.02Å
723Q71.2Confident77.7Confident61 Ų6175 Ų7529%0.28539%0.386SS..Hα-helixtrans-68.7-24.4177-63.9-61.4-15.700114V643 R644 W719 K721V643-Q723 PolarHBondContact O-NE2 3.23Å; R644-Q723 PolarHBondContact NE-O 3.11Å; R644-Q723 PolarHBondContact NH1-O 3.1Å; R644-Q723 VanDerWaalsContact NH1-O 3.12Å; R644-Q723 PolarHBondContact NH2-O 3.13Å; W719-Q723 PolarHBondContact O-N 3.06Å; K721-Q723 PolarHBondContact O-N 2.84Å
724N70.1Confident78Confident120 Ų12074.6 Ų74.664%0.64238%0.384SS*.Hα-helixtrans-112.2-2.6-175.2-63.4-3.5000113.5K721 V722K721-N724 PolarHBondContact O-N 3.48Å; K721-N724 VanDerWaalsContact O-N 3.09Å; V722-N724 VanDerWaalsContact C-N 3.3Å; V722-N724 PolarHBondContact O-N 3.02Å
725V79Confident78.9Confident30 Ų3075.4 Ų75.418%0.18237%0.373CS..SBendtrans-70.9139.6178.9168.70000110.4R644 L717 K721 Y729 I730R644-V725 PolarHBondContact NH1-O 2.96Å; L717-V725 HydrophobicContact CD2-CG2 3.92Å; K721-V725 WeakPolarHBondContact O-CG2 3.09Å; K721-V725 PolarHBondContact O-N 3.45Å; K721-V725 VanDerWaalsContact O-N 3.17Å; V725-Y729 HydrophobicContact CG1-CD1 3.64Å; V725-Y729 HydrophobicContact CG1-CG 4.22Å; V725-I730 HydrophobicContact CB-CD1 4.49Å; V725-I730 HydrophobicContact CG1-CD1 3.78Å; V725-I730 HydrophobicContact CG1-CG1 3.75Å
726N79.1Confident80.2Confident93 Ų9371.4 Ų71.450%0.49734%0.344SS..  trans-65.4142175.6-166.7-6.5000111.3D728 Y729N726-D728 VanDerWaalsContact C-N 3.3Å; N726-D728 PolarHBondContact O-N 3.43Å; N726-Y729 PolarHBondContact O-N 2.93Å
727R85.4Confident81.4Confident34 Ų3463.6 Ų63.613%0.12831%0.311CS..Hα-helixtrans-53.5-44.3-179.2-176.8174.3-179.3154.39112F646 P647 R654 Y729 I730 E731F646-R727 HydrophobicContact CD1-CB 3.96Å; F646-R727 HydrophobicContact CD1-CG 3.89Å; F646-R727 HydrophobicContact CE1-CB 3.91Å; F646-R727 HydrophobicContact CE1-CG 4.28Å; F646-R727 HydrophobicContact CG-CG 4.27Å; P647-R727 PolarHBondContact O-NH1 2.9Å; P647-R727 VanDerWaalsContact O-NH1 3.16Å; R654-R727 PolarHBondContact O-NH2 3.37Å; R727-Y729 VanDerWaalsContact C-N 3.26Å; R727-Y729 PolarHBondContact O-N 3.32Å; R727-I730 WeakPolarHBondContact O-CB 3.32Å; R727-I730 PolarHBondContact O-N 2.9Å; R727-E731 VanDerWaalsContact CG-CD 3.44Å; R727-E731 HydrophobicContact CG-CG 4.06Å; R727-E731 WeakPolarHBondContact CG-OE2 3.38Å; R727-E731 IonicContact CZ-OE1 3.17Å; R727-E731 VanDerWaalsContact CZ-OE1 3.31Å; R727-E731 VanDerWaalsContact NE-CD 3.26Å; R727-E731 IonicContact NE-OE1 2.65Å; R727-E731 PolarHBondContact NE-OE1 2.99Å; R727-E731 IonicContact NE-OE2 2.91Å; R727-E731 PolarHBondContact NE-OE2 3.38Å; R727-E731 IonicContact NH2-OE1 3.99Å; R727-E731 PolarHBondContact NH2-OE1 3.5Å; R727-E731 WeakPolarHBondContact O-CB 3.36Å; R727-E731 WeakPolarHBondContact O-CG 3.23Å; R727-E731 PolarHBondContact O-N 3.25Å
728D84.6Confident82.5Confident101 Ų10162.2 Ų62.254%0.5430%0.304SS..Hα-helixtrans-62.5-31.9-176.5-64.5-31.2000113.4N726 E731N726-D728 VanDerWaalsContact C-N 3.3Å; N726-D728 PolarHBondContact O-N 3.43Å; D728-E731 PolarHBondContact O-N 3.05Å
729Y85.8Confident83.4Confident145 Ų14557.1 Ų57.157%0.56928%0.277SS*.Hα-helixtrans-70.1-36.4175.9-179-94.2000112R711 L717 V725 N726 R727R711-Y729 PolarHBondContact NH1-O 3.47Å; R711-Y729 PolarHBondContact NH2-O 2.87Å; L717-Y729 HydrophobicContact CD1-CE1 4.42Å; V725-Y729 HydrophobicContact CG1-CD1 3.64Å; V725-Y729 HydrophobicContact CG1-CG 4.22Å; N726-Y729 PolarHBondContact O-N 2.93Å; R727-Y729 VanDerWaalsContact C-N 3.26Å; R727-Y729 PolarHBondContact O-N 3.32Å
730I87.1Confident84.5Confident0 Ų053.3 Ų53.30%026%0.262CS..Hα-helixtrans-71.9-33.1177.4-62.8-62.5000111.1F646 V658 V669 R711 L713 V725 R727 A732F646-I730 HydrophobicContact CE2-CB 4.21Å; F646-I730 HydrophobicContact CE2-CG1 4.09Å; F646-I730 HydrophobicContact CE2-CG2 3.98Å; F646-I730 HydrophobicContact CZ-CG1 4.11Å; V658-I730 HydrophobicContact CG2-CG2 4.16Å; V669-I730 HydrophobicContact CB-CG2 4.37Å; V669-I730 HydrophobicContact CG1-CG2 3.63Å; V669-I730 HydrophobicContact CG2-CG2 3.75Å; R711-I730 VanDerWaalsContact NH2-CA 3.26Å; R711-I730 PolarHBondContact NH2-O 2.82Å; L713-I730 HydrophobicContact CD1-CD1 4.32Å; L713-I730 HydrophobicContact CD2-CD1 4.47Å; V725-I730 HydrophobicContact CB-CD1 4.49Å; V725-I730 HydrophobicContact CG1-CD1 3.78Å; V725-I730 HydrophobicContact CG1-CG1 3.75Å; R727-I730 WeakPolarHBondContact O-CB 3.32Å; R727-I730 PolarHBondContact O-N 2.9Å; I730-A732 PolarHBondContact O-N 3.34Å
731E89.6Confident85.4Confident2 Ų245.9 Ų45.91%0.00923%0.228CC..THydrogen-bonded Turntrans-93.319.4-171.8-67-170.316000114.8R654 S656 M671 R727 D728 L734R654-E731 IonicContact CZ-OE2 3.97Å; R654-E731 VanDerWaalsContact CZ-OE2 3.26Å; R654-E731 IonicContact NE-OE1 3.92Å; R654-E731 IonicContact NE-OE2 3.37Å; R654-E731 PolarHBondContact NE-OE2 2.7Å; R654-E731 IonicContact NH2-OE2 2.95Å; R654-E731 PolarHBondContact NH2-OE2 3.29Å; S656-E731 PolarHBondContact OG-OE1 2.87Å; M671-E731 HydrophobicContact CE-CB 3.53Å; M671-E731 HydrophobicContact CE-CG 3.38Å; R727-E731 VanDerWaalsContact CG-CD 3.44Å; R727-E731 HydrophobicContact CG-CG 4.06Å; R727-E731 WeakPolarHBondContact CG-OE2 3.38Å; R727-E731 IonicContact CZ-OE1 3.17Å; R727-E731 VanDerWaalsContact CZ-OE1 3.31Å; R727-E731 VanDerWaalsContact NE-CD 3.26Å; R727-E731 IonicContact NE-OE1 2.65Å; R727-E731 PolarHBondContact NE-OE1 2.99Å; R727-E731 IonicContact NE-OE2 2.91Å; R727-E731 PolarHBondContact NE-OE2 3.38Å; R727-E731 IonicContact NH2-OE1 3.99Å; R727-E731 PolarHBondContact NH2-OE1 3.5Å; R727-E731 WeakPolarHBondContact O-CB 3.36Å; R727-E731 WeakPolarHBondContact O-CG 3.23Å; R727-E731 PolarHBondContact O-N 3.25Å; D728-E731 PolarHBondContact O-N 3.05Å; E731-L734 WeakPolarHBondContact O-CD1 3.42Å
732A88.4Confident86Confident34 Ų3439.6 Ų39.628%0.28120%0.2SC..SBendtrans-108.7149.7-178.200000113.9R711 I730 L734R711-A732 WeakPolarHBondContact CD-O 3.1Å; R711-A732 PolarHBondContact NE-O 3.32Å; R711-A732 PolarHBondContact NH1-O 3.18Å; I730-A732 PolarHBondContact O-N 3.34Å; A732-L734 PolarHBondContact O-N 2.74Å
733N90.3Very high86.3Confident111 Ų11143.7 Ų43.759%0.59422%0.22SC*.SBendtrans55.242.1172.3-59.4-37.5000114.4L681 K683 R711L681-N733 PolarHBondContact O-N 3.32Å; L681-N733 VanDerWaalsContact O-N 3.16Å; K683-N733 WeakPolarHBondContact CE-O 3.41Å; R711-N733 WeakPolarHBondContact CD-O 3.19Å
734L92.5Very high86.7Confident0 Ų041.4 Ų41.40%021%0.209CC..BIsolated β-bridgetrans-77163.3178.1-63.8128.2000112V669 M671 L681 C682 K683 A709 R711 E731 A732V669-L734 HydrophobicContact CG1-CD2 4.14Å; M671-L734 HydrophobicContact CB-CD2 4.34Å; M671-L734 HydrophobicContact CE-CD1 3.53Å; M671-L734 HydrophobicContact SD-CD1 3.83Å; L681-L734 HydrophobicContact CB-CD1 4.17Å; L681-L734 PolarHBondContact O-N 3.35Å; L681-L734 VanDerWaalsContact O-N 3.12Å; C682-L734 CarbonylContact C-O 3.6Å; C682-L734 WeakPolarHBondContact CA-O 3.37Å; C682-L734 WeakPolarHBondContact CB-O 3.5Å; K683-L734 PolarHBondContact N-O 3.35Å; A709-L734 HydrophobicContact CB-CB 3.9Å; A709-L734 HydrophobicContact CB-CD2 4.48Å; R711-L734 HydrophobicContact CB-CB 4.48Å; R711-L734 HydrophobicContact CB-CD2 3.73Å; R711-L734 HydrophobicContact CB-CG 4.13Å; E731-L734 WeakPolarHBondContact O-CD1 3.42Å; A732-L734 PolarHBondContact O-N 2.74Å
735E93.1Very high87.4Confident71 Ų7140.7 Ų40.733%0.33220%0.2SC..EExtended strand (participates in β ladder)trans-100.9127.4172.6-61.1-175.3179.100108.6K683 T686 A709 H710 L737K683-E735 HydrophobicContact CD-CG 4.19Å; K683-E735 IonicContact NZ-OE1 2.65Å; K683-E735 PolarHBondContact NZ-OE1 2.82Å; T686-E735 HydrophobicContact CG2-CB 4.13Å; T686-E735 HydrophobicContact CG2-CG 4.15Å; A709-E735 CarbonylContact C-O 3.58Å; A709-E735 VanDerWaalsContact CA-O 3.22Å; A709-E735 WeakPolarHBondContact CA-O 3.33Å; A709-E735 WeakPolarHBondContact CB-O 3.33Å; H710-E735 IonicContact CD2-OE2 3.47Å; H710-E735 PolarHBondContact N-O 2.91Å; H710-E735 IonicContact NE2-OE2 3.32Å; H710-E735 PolarHBondContact NE2-OE2 3.28Å; H710-E735 WeakPolarHBondContact O-CB 3.32Å; H710-E735 PolarHBondContact O-N 3.44Å; E735-L737 PolarHBondContact O-N 3.44Å
736F93.6Very high87.8Confident9 Ų941.2 Ų41.24%0.03920%0.202CC..EExtended strand (participates in β ladder)trans-74124.1-178.1-170.8-93.8000110.4V535 F540 C682 T686 V687 F691 A707 L739V535-F736 HydrophobicContact CB-CD1 4.24Å; V535-F736 HydrophobicContact CG2-CD1 3.78Å; V535-F736 HydrophobicContact CG2-CE1 3.74Å; F540-F736 HydrophobicContact CE1-CE1 4.37Å; C682-F736 HydrophobicContact CB-CB 4.14Å; T686-F736 PolarHBondContact OG1-N 3.49Å; V687-F736 HydrophobicContact CG2-CB 4.02Å; V687-F736 HydrophobicContact CG2-CD2 4.42Å; V687-F736 HydrophobicContact CG2-CG 4.27Å; F691-F736 HydrophobicContact CD2-CE1 4.33Å; F691-F736 HydrophobicContact CD2-CE2 4.41Å; F691-F736 AromaticContact CD2-CZ 3.9Å; F691-F736 HydrophobicContact CD2-CZ 3.9Å; F691-F736 HydrophobicContact CE2-CE1 4.39Å; F691-F736 AromaticContact CE2-CE2 3.82Å; F691-F736 HydrophobicContact CE2-CE2 3.82Å; F691-F736 AromaticContact CE2-CZ 3.54Å; F691-F736 HydrophobicContact CE2-CZ 3.54Å; A707-F736 HydrophobicContact CB-CE2 3.72Å; A707-F736 HydrophobicContact CB-CZ 4.14Å; F736-L739 HydrophobicContact CZ-CD2 3.79Å; F736-L739 HydrophobicContact CZ-CG 4.24Å
737L91.3Very high88.4Confident21 Ų2137.7 Ų37.711%0.1118%0.182CC..EExtended strand (participates in β ladder)trans-95.4-35.1-176-69.5177.3000113V535 Q556 F557 C560 L708 H710 E735V535-L737 PolarHBondContact N-O 2.91Å; Q556-L737 HydrophobicContact CB-CD2 3.92Å; F557-L737 HydrophobicContact CD2-CB 3.95Å; C560-L737 HydrophobicContact CB-CD1 3.81Å; L708-L737 HydrophobicContact CB-CB 4.08Å; L708-L737 HydrophobicContact CB-CD1 4.3Å; L708-L737 PolarHBondContact O-N 2.81Å; H710-L737 HydrophobicContact CB-CD1 3.6Å; H710-L737 HydrophobicContact CB-CD2 3.98Å; H710-L737 HydrophobicContact CB-CG 3.84Å; E735-L737 PolarHBondContact O-N 3.44Å
738G91.4Very high88.6Confident0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans148-165.4-177.700000114Q533 A707 L708Q533-G738 CarbonylContact O-C 3.58Å; Q533-G738 WeakPolarHBondContact O-CA 3.34Å; A707-G738 WeakPolarHBondContact CA-O 3.37Å; L708-G738 PolarHBondContact N-O 3.05Å
739L91.7Very high89Confident0 Ų039.9 Ų39.90%021%0.206CC..EExtended strand (participates in β ladder)trans-121.8143.5-176.1-56.3172.4000111.4Q533 F540 P675 F691 V694 V705 I706 A707 F736Q533-L739 HydrophobicContact CB-CB 4.21Å; Q533-L739 PolarHBondContact N-O 3.04Å; Q533-L739 PolarHBondContact O-N 3.04Å; F540-L739 HydrophobicContact CE1-CD1 4Å; F540-L739 HydrophobicContact CE1-CG 4.25Å; F540-L739 HydrophobicContact CZ-CD1 4.07Å; P675-L739 HydrophobicContact CB-CD2 4.21Å; P675-L739 HydrophobicContact CG-CD2 4.32Å; F691-L739 HydrophobicContact CE2-CD2 4.1Å; V694-L739 HydrophobicContact CG1-CD1 4.45Å; V705-L739 HydrophobicContact CG1-CB 3.91Å; V705-L739 HydrophobicContact CG1-CD1 4.04Å; V705-L739 HydrophobicContact CG1-CD2 3.9Å; V705-L739 HydrophobicContact CG1-CG 4.17Å; I706-L739 CarbonylContact O-C 3.58Å; I706-L739 VanDerWaalsContact O-CA 3.29Å; I706-L739 WeakPolarHBondContact O-CA 3.47Å; A707-L739 HydrophobicContact CB-CD2 3.78Å; F736-L739 HydrophobicContact CZ-CD2 3.79Å; F736-L739 HydrophobicContact CZ-CG 4.24Å
740I90.4Very high89.4Confident0 Ų033 Ų330%018%0.18CC..EExtended strand (participates in β ladder)trans-103.8131.2166.7-56.4174000107.9M529 F557 M561 M583 V705 I706 L708 M742M529-I740 HydrophobicContact CE-CG2 3.63Å; M529-I740 HydrophobicContact SD-CG2 3.45Å; M529-I740 WeakPolarHBondContact SD-CG2 3.33Å; F557-I740 HydrophobicContact CE1-CG1 4.42Å; F557-I740 HydrophobicContact CZ-CG1 3.98Å; M561-I740 HydrophobicContact CE-CD1 4.29Å; M561-I740 HydrophobicContact CG-CD1 3.95Å; M561-I740 HydrophobicContact SD-CD1 4.36Å; M583-I740 HydrophobicContact CG-CD1 4.04Å; M583-I740 HydrophobicContact SD-CD1 3.72Å; V705-I740 WeakPolarHBondContact CA-O 3.5Å; I706-I740 HydrophobicContact CB-CB 4.36Å; I706-I740 PolarHBondContact N-O 2.89Å; I706-I740 PolarHBondContact O-N 3.43Å; L708-I740 HydrophobicContact CD1-CD1 3.96Å; L708-I740 HydrophobicContact CD1-CG1 4.16Å; L708-I740 HydrophobicContact CD2-CD1 3.96Å; L708-I740 HydrophobicContact CG-CD1 4.08Å; L708-I740 HydrophobicContact CG-CG1 4.24Å; I740-M742 HydrophobicContact CB-CE 4.48Å; I740-M742 HydrophobicContact CG2-CE 3.59Å; I740-M742 HydrophobicContact CG2-CG 4.14Å
741I89.6Confident89.7Confident0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-110.4122.4179.4-56.590.2000108.7W530 G531 Q533 Y698 F703W530-I741 HydrophobicContact CB-CG2 4.1Å; W530-I741 HydrophobicContact CD2-CG2 4.19Å; W530-I741 HydrophobicContact CE3-CB 3.99Å; W530-I741 HydrophobicContact CE3-CG2 3.71Å; W530-I741 HydrophobicContact CG-CG2 4.38Å; W530-I741 PolarHBondContact N-O 3.18Å; G531-I741 PolarHBondContact N-O 3.04Å; G531-I741 PolarHBondContact O-N 3.43Å; Q533-I741 HydrophobicContact CB-CD1 3.8Å; Y698-I741 HydrophobicContact CD1-CG1 4.14Å; Y698-I741 HydrophobicContact CD1-CG2 4.15Å; Y698-I741 HydrophobicContact CD2-CG1 4.22Å; Y698-I741 HydrophobicContact CE1-CG1 4.1Å; Y698-I741 HydrophobicContact CE1-CG2 4.49Å; Y698-I741 HydrophobicContact CE2-CD1 4.28Å; Y698-I741 HydrophobicContact CE2-CG1 4.16Å; Y698-I741 HydrophobicContact CG-CG1 4.21Å; F703-I741 HydrophobicContact CB-CG2 3.59Å; F703-I741 HydrophobicContact CD1-CG2 3.91Å; F703-I741 HydrophobicContact CD2-CG2 4.16Å; F703-I741 HydrophobicContact CG-CG2 3.62Å
742M85.8Confident89.8Confident0 Ų037.3 Ų37.30%021%0.214CC..EExtended strand (participates in β ladder)trans-124.1153.7177.6-57.7177.1-167.400110.6L527 D528 M529 L579 F703 R704 I706 I740L527-M742 HydrophobicContact CB-CB 4.45Å; L527-M742 HydrophobicContact CB-SD 4.12Å; L527-M742 HydrophobicContact CD1-SD 4.18Å; L527-M742 HydrophobicContact CD2-CB 3.96Å; L527-M742 HydrophobicContact CD2-SD 4.32Å; L527-M742 HydrophobicContact CG-SD 4.45Å; D528-M742 CarbonylContact O-C 3.39Å; D528-M742 WeakPolarHBondContact O-CA 3.4Å; M529-M742 HydrophobicContact SD-CE 3.96Å; M529-M742 HydrophobicContact SD-CG 3.91Å; L579-M742 HydrophobicContact CD1-SD 4.46Å; L579-M742 HydrophobicContact CD2-CE 4.1Å; L579-M742 HydrophobicContact CG-CE 3.87Å; L579-M742 HydrophobicContact CG-SD 3.92Å; F703-M742 CarbonylContact C-O 3.58Å; F703-M742 WeakPolarHBondContact CA-O 3.33Å; R704-M742 HydrophobicContact CB-CB 4.36Å; R704-M742 PolarHBondContact N-O 2.93Å; R704-M742 PolarHBondContact O-N 3.43Å; I706-M742 HydrophobicContact CD1-CE 3.49Å; I706-M742 VanDerWaalsContact CD1-CE 3.49Å; I706-M742 HydrophobicContact CD1-SD 4.05Å; I706-M742 HydrophobicContact CG1-CE 4.48Å; I740-M742 HydrophobicContact CB-CE 4.48Å; I740-M742 HydrophobicContact CG2-CE 3.59Å; I740-M742 HydrophobicContact CG2-CG 4.14Å
743Q83Confident90.1Very high86 Ų8636.2 Ų36.240%0.40220%0.204SC..EExtended strand (participates in β ladder)trans-117.3134.6178-167.1173.513.400111.2D528 F703D528-Q743 PolarHBondContact N-O 3.24Å; D528-Q743 VanDerWaalsContact N-O 3.14Å; D528-Q743 PolarHBondContact O-N 3.49Å; F703-Q743 HydrophobicContact CD1-CB 3.94Å; F703-Q743 HydrophobicContact CD1-CG 4.12Å; F703-Q743 HydrophobicContact CE1-CB 4.02Å; F703-Q743 HydrophobicContact CE1-CG 4Å
744N78.4Confident90.3Very high12 Ų1231.1 Ų31.16%0.06418%0.177CC..  trans-91.9109165.1-70.2-49.9000108.2K518 T523 L527K518-N744 PolarHBondContact NZ-ND2 3.49Å; T523-N744 HydrophobicContact CG2-CB 4.1Å; L527-N744 WeakPolarHBondContact CD2-OD1 3.42Å
745K84.3Confident90.3Very high105 Ų10536 Ų3646%0.45720%0.199SC..PPolyproline II helixtrans-78.2134.6-178.4-170.1177.4168.1-153.90111.2T523 E524T523-K745 CarbonylContact C-O 3.52Å; T523-K745 WeakPolarHBondContact CA-O 3.21Å; T523-K745 WeakPolarHBondContact CB-O 3.48Å; E524-K745 PolarHBondContact N-O 3.34Å; E524-K745 IonicContact OE1-NZ 4Å; E524-K745 PolarHBondContact OE1-NZ 2.99Å; E524-K745 IonicContact OE2-NZ 2.95Å
746L88.6Confident90.3Very high41 Ų4135 Ų3522%0.21520%0.197CC..BIsolated β-bridgetrans-70.6141174-77.1172.7000111T523 T750 V778 D781 C782T523-L746 HydrophobicContact CG2-CD2 3.94Å; L746-T750 HydrophobicContact CD2-CG2 4.44Å; L746-V778 HydrophobicContact CD2-CG1 3.91Å; L746-D781 HydrophobicContact CD1-CB 3.65Å; L746-C782 HydrophobicContact CD1-CB 4.14Å; L746-C782 HydrophobicContact CD2-CB 4.01Å
747K90.6Very high90.2Very high20 Ų2034.6 Ų34.69%0.08720%0.195CC..PPolyproline II helixtrans-65.7138.6168.6-68.9178.4173.9174.20109.6G520 L522 T523 E524 E749 T750 P933G520-K747 PolarHBondContact O-NZ 3.21Å; L522-K747 PolarHBondContact O-N 3.34Å; L522-K747 VanDerWaalsContact O-N 3.14Å; T523-K747 WeakPolarHBondContact O-CE 3.48Å; E524-K747 HydrophobicContact CG-CG 3.97Å; K747-E749 PolarHBondContact O-N 3.08Å; K747-E749 VanDerWaalsContact O-N 3.16Å; K747-T750 WeakPolarHBondContact O-CB 3.24Å; K747-T750 PolarHBondContact O-N 3.4Å; K747-P933 PolarHBondContact NZ-O 3.1Å
748A91.2Very high90.1Very high92 Ų9239.3 Ų39.376%0.7622%0.216SC*.THydrogen-bonded Turntrans-58.8-32.1-174.300000113.1
749E91.9Very high90Very high89 Ų8946.6 Ų46.642%0.41624%0.244SC..THydrogen-bonded Turntrans-80.8-18.9-179.1-54.586.6166.900113.5K747 G752 V753K747-E749 PolarHBondContact O-N 3.08Å; K747-E749 VanDerWaalsContact O-N 3.16Å; E749-G752 PolarHBondContact O-N 3.43Å; E749-V753 WeakPolarHBondContact O-CG2 3.41Å; E749-V753 PolarHBondContact O-N 3.24Å; E749-V753 VanDerWaalsContact O-N 3.12Å
750T93.9Very high89.8Confident1 Ų146.7 Ų46.71%0.00624%0.244CC..Hα-helixtrans-56.9-52.4-171.5-69.60000112.7L522 L746 K747 G752 V753 L754 C782 I935L522-T750 HydrophobicContact CB-CG2 4.2Å; L522-T750 HydrophobicContact CD2-CG2 3.61Å; L522-T750 HydrophobicContact CG-CG2 4.48Å; L522-T750 PolarHBondContact O-OG1 2.83Å; L746-T750 HydrophobicContact CD2-CG2 4.44Å; K747-T750 WeakPolarHBondContact O-CB 3.24Å; K747-T750 PolarHBondContact O-N 3.4Å; T750-G752 VanDerWaalsContact C-N 3.33Å; T750-G752 PolarHBondContact O-N 3.35Å; T750-V753 PolarHBondContact O-N 3.47Å; T750-L754 HydrophobicContact CG2-CD1 3.92Å; T750-L754 HydrophobicContact CG2-CG 4.43Å; T750-L754 WeakPolarHBondContact O-CG 3.22Å; T750-L754 PolarHBondContact O-N 3.13Å; T750-C782 HydrophobicContact CG2-CB 3.92Å; T750-I935 HydrophobicContact CG2-CD1 4.09Å
751P93.5Very high89.7Confident53 Ų5351.9 Ų51.934%0.34427%0.272SS..Hα-helixtrans-61.4-39.7-178.2-23.334.3000113.1L754 Q755P751-L754 PolarHBondContact O-N 2.85Å; P751-Q755 WeakPolarHBondContact O-CB 3.47Å; P751-Q755 PolarHBondContact O-N 2.95Å
752G93.1Very high89.8Confident38 Ų3852.1 Ų52.139%0.39227%0.273SS..Hα-helixtrans-65.3-40.4179.500000112.7E749 T750 Q755 D756E749-G752 PolarHBondContact O-N 3.43Å; T750-G752 VanDerWaalsContact C-N 3.33Å; T750-G752 PolarHBondContact O-N 3.35Å; G752-Q755 PolarHBondContact O-N 3.39Å; G752-D756 PolarHBondContact O-N 3.34Å; G752-D756 VanDerWaalsContact O-N 3.13Å
753V94.8Very high90Very high12 Ų1254.4 Ų54.47%0.07328%0.282CS..Hα-helixtrans-69-41.7177.6172.30000111.7E749 T750 Q755 D756 L757 I935 P939E749-V753 WeakPolarHBondContact O-CG2 3.41Å; E749-V753 PolarHBondContact O-N 3.24Å; E749-V753 VanDerWaalsContact O-N 3.12Å; T750-V753 PolarHBondContact O-N 3.47Å; V753-Q755 VanDerWaalsContact C-N 3.31Å; V753-Q755 PolarHBondContact O-N 2.71Å; V753-D756 WeakPolarHBondContact O-CB 3.4Å; V753-D756 PolarHBondContact O-N 3.31Å; V753-L757 HydrophobicContact CG1-CD1 4.42Å; V753-L757 WeakPolarHBondContact O-CG 3.45Å; V753-L757 PolarHBondContact O-N 2.85Å; V753-I935 HydrophobicContact CB-CD1 3.75Å; V753-I935 HydrophobicContact CB-CG1 3.87Å; V753-I935 HydrophobicContact CG1-CB 4.4Å; V753-I935 HydrophobicContact CG1-CD1 3.65Å; V753-I935 HydrophobicContact CG1-CG1 3.8Å; V753-I935 HydrophobicContact CG2-CG1 4.17Å; V753-P939 HydrophobicContact CG1-CG 3.99Å
754L94.2Very high90.6Very high3 Ų350.9 Ų50.92%0.01627%0.266CS..Hα-helixtrans-65.4-36.4177.5-67.7177.6000111.6F516 L522 T750 P751 D756 L757 H758 T764 C782 M784 I935F516-L754 HydrophobicContact CD2-CD2 4.29Å; F516-L754 HydrophobicContact CE2-CD2 3.89Å; F516-L754 HydrophobicContact CZ-CD2 4.32Å; L522-L754 HydrophobicContact CD2-CD1 4.44Å; T750-L754 HydrophobicContact CG2-CD1 3.92Å; T750-L754 HydrophobicContact CG2-CG 4.43Å; T750-L754 WeakPolarHBondContact O-CG 3.22Å; T750-L754 PolarHBondContact O-N 3.13Å; P751-L754 PolarHBondContact O-N 2.85Å; L754-D756 PolarHBondContact O-N 2.9Å; L754-L757 HydrophobicContact CD2-CD1 4.38Å; L754-L757 PolarHBondContact O-N 2.64Å; L754-H758 WeakPolarHBondContact O-CB 3.14Å; L754-H758 PolarHBondContact O-N 2.91Å; L754-T764 HydrophobicContact CD2-CG2 3.94Å; L754-C782 HydrophobicContact CD1-CB 3.71Å; L754-C782 WeakPolarHBondContact CD1-O 3.31Å; L754-C782 WeakPolarHBondContact CD1-SG 3.29Å; L754-M784 HydrophobicContact CD1-CB 4.47Å; L754-M784 HydrophobicContact CD1-CE 4.44Å; L754-M784 HydrophobicContact CD2-CE 4.48Å; L754-I935 HydrophobicContact CD2-CD1 4.31Å; L754-I935 HydrophobicContact CG-CD1 4.24Å
755Q92.6Very high91.4Very high102 Ų10250.3 Ų50.348%0.47726%0.263SS..Hα-helixtrans-62.1-42172.6-167.8-17937.400112.1P751 G752 V753 L757 H758 R759P751-Q755 WeakPolarHBondContact O-CB 3.47Å; P751-Q755 PolarHBondContact O-N 2.95Å; G752-Q755 PolarHBondContact O-N 3.39Å; V753-Q755 VanDerWaalsContact C-N 3.31Å; V753-Q755 PolarHBondContact O-N 2.71Å; Q755-L757 VanDerWaalsContact C-N 3.32Å; Q755-L757 PolarHBondContact O-N 3.25Å; Q755-H758 PolarHBondContact O-N 3.37Å; Q755-R759 VanDerWaalsContact CD-NH2 3.27Å; Q755-R759 VanDerWaalsContact NE2-NH2 3.17Å; Q755-R759 WeakPolarHBondContact O-CB 3.37Å; Q755-R759 VanDerWaalsContact O-CG 3.3Å; Q755-R759 WeakPolarHBondContact O-CG 3.35Å; Q755-R759 PolarHBondContact O-N 3.25Å
756D91.6Very high91.9Very high51 Ų5145.3 Ų45.327%0.27324%0.241SC..Hα-helixtrans-60.7-39.8174.7-92.25.4000112.2G752 V753 L754 A760 R943G752-D756 PolarHBondContact O-N 3.34Å; G752-D756 VanDerWaalsContact O-N 3.13Å; V753-D756 WeakPolarHBondContact O-CB 3.4Å; V753-D756 PolarHBondContact O-N 3.31Å; L754-D756 PolarHBondContact O-N 2.9Å; D756-A760 WeakPolarHBondContact O-CB 3.47Å; D756-A760 PolarHBondContact O-N 3.5Å; D756-R943 IonicContact OD2-NH2 2.66Å; D756-R943 PolarHBondContact OD2-NH2 2.85Å; D756-R943 VanDerWaalsContact OD2-NH2 3.11Å
757L92.4Very high92.2Very high0 Ų043.5 Ų43.50%023%0.232CC..Hα-helixtrans-69.3-41.3176.5-66.4176.4000111.9F516 V753 L754 Q755 A760 N761 I762 T764 V938 I942 L1009F516-L757 HydrophobicContact CE2-CD1 3.95Å; F516-L757 HydrophobicContact CZ-CD1 3.68Å; V753-L757 HydrophobicContact CG1-CD1 4.42Å; V753-L757 WeakPolarHBondContact O-CG 3.45Å; V753-L757 PolarHBondContact O-N 2.85Å; L754-L757 HydrophobicContact CD2-CD1 4.38Å; L754-L757 PolarHBondContact O-N 2.64Å; Q755-L757 VanDerWaalsContact C-N 3.32Å; Q755-L757 PolarHBondContact O-N 3.25Å; L757-A760 CarbonylContact O-C 3.5Å; L757-A760 WeakPolarHBondContact O-CA 3.42Å; L757-A760 WeakPolarHBondContact O-CB 3.31Å; L757-A760 PolarHBondContact O-N 2.83Å; L757-A760 VanDerWaalsContact O-N 3.1Å; L757-N761 PolarHBondContact O-N 3.1Å; L757-I762 HydrophobicContact CB-CB 4.32Å; L757-I762 HydrophobicContact CD2-CB 4.4Å; L757-I762 HydrophobicContact CD2-CD1 3.79Å; L757-I762 HydrophobicContact CD2-CG2 4.37Å; L757-I762 PolarHBondContact O-N 3.27Å; L757-T764 HydrophobicContact CB-CG2 4.05Å; L757-T764 HydrophobicContact CD1-CG2 3.93Å; L757-V938 HydrophobicContact CD1-CG1 4.32Å; L757-V938 HydrophobicContact CD2-CG1 4.37Å; L757-I942 HydrophobicContact CD2-CD1 4.17Å; L757-L1009 HydrophobicContact CD2-CD2 3.99Å
758H89.9Confident92.1Very high121 Ų12142.6 Ų42.656%0.5623%0.228SC*.Hα-helixtrans-63.8-45.6176.7-168.681.9000111.6L754 Q755 A760 N761L754-H758 WeakPolarHBondContact O-CB 3.14Å; L754-H758 PolarHBondContact O-N 2.91Å; Q755-H758 PolarHBondContact O-N 3.37Å; H758-A760 PolarHBondContact O-N 3.2Å; H758-A760 VanDerWaalsContact O-N 3.16Å; H758-N761 PolarHBondContact O-N 3.47Å
759R88.9Confident91.6Very high153 Ų15340.3 Ų40.358%0.57721%0.214SC*.Hα-helixtrans-57.9-28.5172.3-73.8175.5-177.3167.23.7112.7Q755 N761Q755-R759 VanDerWaalsContact CD-NH2 3.27Å; Q755-R759 VanDerWaalsContact NE2-NH2 3.17Å; Q755-R759 WeakPolarHBondContact O-CB 3.37Å; Q755-R759 VanDerWaalsContact O-CG 3.3Å; Q755-R759 WeakPolarHBondContact O-CG 3.35Å; Q755-R759 PolarHBondContact O-N 3.25Å; R759-N761 VanDerWaalsContact C-N 3.32Å
760A87.3Confident91Very high1 Ų137.2 Ų37.21%0.00820%0.2CC..THydrogen-bonded Turntrans-88.18.417700000114.3D756 L757 H758 I762 L1009 S1011D756-A760 WeakPolarHBondContact O-CB 3.47Å; D756-A760 PolarHBondContact O-N 3.5Å; L757-A760 CarbonylContact O-C 3.5Å; L757-A760 WeakPolarHBondContact O-CA 3.42Å; L757-A760 WeakPolarHBondContact O-CB 3.31Å; L757-A760 PolarHBondContact O-N 2.83Å; L757-A760 VanDerWaalsContact O-N 3.1Å; H758-A760 PolarHBondContact O-N 3.2Å; H758-A760 VanDerWaalsContact O-N 3.16Å; A760-I762 HydrophobicContact CB-CD1 3.95Å; A760-I762 HydrophobicContact CB-CG1 4.22Å; A760-I762 PolarHBondContact O-N 3.11Å; A760-L1009 HydrophobicContact CB-CB 4.23Å; A760-L1009 HydrophobicContact CB-CD2 3.5Å; A760-L1009 HydrophobicContact CB-CG 3.53Å; A760-S1011 WeakPolarHBondContact O-CA 3.42Å
761N88.4Confident90.4Very high110 Ų11039.2 Ų39.259%0.58821%0.211SC*.THydrogen-bonded Turntrans51.736.3-174.2-69.7-11000113.1L757 H758 R759 S1011L757-N761 PolarHBondContact O-N 3.1Å; H758-N761 PolarHBondContact O-N 3.47Å; R759-N761 VanDerWaalsContact C-N 3.32Å; N761-S1011 PolarHBondContact ND2-OG 2.94Å
762I90.4Very high90Very high5 Ų537.5 Ų37.53%0.02620%0.198CC..  trans-97.4120.2172.3-64.2164.4000107.2V514 L757 A760 I942 L1009V514-I762 HydrophobicContact CG2-CG2 3.89Å; L757-I762 HydrophobicContact CB-CB 4.32Å; L757-I762 HydrophobicContact CD2-CB 4.4Å; L757-I762 HydrophobicContact CD2-CD1 3.79Å; L757-I762 HydrophobicContact CD2-CG2 4.37Å; L757-I762 PolarHBondContact O-N 3.27Å; A760-I762 HydrophobicContact CB-CD1 3.95Å; A760-I762 HydrophobicContact CB-CG1 4.22Å; A760-I762 PolarHBondContact O-N 3.11Å; I762-I942 HydrophobicContact CD1-CD1 3.81Å; I762-I942 HydrophobicContact CD1-CG2 4.31Å; I762-L1009 HydrophobicContact CD1-CD2 3.7Å
763R91.8Very high89.5Confident47 Ų4738.1 Ų38.118%0.17719%0.192CC..EExtended strand (participates in β ladder)trans-70.4134.7178.5-179.5168.7169.4-142.40109.8N512 L513 V514 I765 V867 L868 G870N512-R763 PolarHBondContact O-N 3.36Å; L513-R763 CarbonylContact C-O 3.59Å; L513-R763 VanDerWaalsContact CA-O 3.24Å; L513-R763 WeakPolarHBondContact CA-O 3.47Å; L513-R763 HydrophobicContact CB-CB 4.46Å; L513-R763 HydrophobicContact CD1-CB 4.35Å; L513-R763 HydrophobicContact CD1-CG 4.22Å; L513-R763 HydrophobicContact CG-CB 4.29Å; L513-R763 HydrophobicContact CG-CG 4.42Å; V514-R763 PolarHBondContact N-O 3.46Å; R763-I765 HydrophobicContact CG-CG1 4.45Å; R763-V867 VanDerWaalsContact CZ-O 3.3Å; R763-V867 PolarHBondContact NH1-O 2.81Å; R763-V867 PolarHBondContact NH2-O 3.47Å; R763-L868 PolarHBondContact NH1-O 3.2Å; R763-L868 VanDerWaalsContact NH2-C 3.3Å; R763-L868 PolarHBondContact NH2-O 2.71Å; R763-L868 VanDerWaalsContact NH2-O 3.07Å; R763-G870 PolarHBondContact NH2-O 3.48Å
764T94.6Very high89Confident12 Ų1237.8 Ų37.87%0.07419%0.19CC..EExtended strand (participates in β ladder)trans-111.3135.9177.951.30000108.9V514 F516 L754 L757V514-T764 WeakPolarHBondContact O-CA 3.44Å; F516-T764 HydrophobicContact CE2-CG2 3.97Å; L754-T764 HydrophobicContact CD2-CG2 3.94Å; L757-T764 HydrophobicContact CB-CG2 4.05Å; L757-T764 HydrophobicContact CD1-CG2 3.93Å
765I95.5Very high88.6Confident0 Ų037.7 Ų37.70%019%0.19CC..EExtended strand (participates in β ladder)trans-128.3134178.2-63.4-172.6000108L513 V514 C515 F516 R763 V767 F873 L888L513-I765 HydrophobicContact CD1-CD1 3.75Å; L513-I765 HydrophobicContact CD1-CG1 4.41Å; L513-I765 HydrophobicContact CD2-CD1 4.04Å; L513-I765 HydrophobicContact CD2-CG1 4.41Å; L513-I765 HydrophobicContact CG-CD1 4.17Å; L513-I765 HydrophobicContact CG-CG1 4.42Å; V514-I765 PolarHBondContact O-N 2.98Å; C515-I765 CarbonylContact C-O 3.45Å; C515-I765 WeakPolarHBondContact CA-O 3.43Å; F516-I765 PolarHBondContact N-O 2.87Å; R763-I765 HydrophobicContact CG-CG1 4.45Å; I765-V767 HydrophobicContact CG2-CG2 3.88Å; I765-F873 HydrophobicContact CD1-CE2 4.38Å; I765-F873 HydrophobicContact CG2-CD2 3.53Å; I765-F873 HydrophobicContact CG2-CE2 3.63Å; I765-L888 HydrophobicContact CD1-CD1 4.17Å; I765-L888 HydrophobicContact CD1-CD2 4.06Å
766M95.3Very high88.5Confident0 Ų033.2 Ų33.20%017%0.169CC..EExtended strand (participates in β ladder)trans-92.8128.6169.6-174.1-177.1-66.400109.6F516 K518 L522 T768 A775 V778 A779 M784 T871 F873F516-M766 WeakPolarHBondContact O-CA 3.49Å; K518-M766 HydrophobicContact CB-CG 4.25Å; K518-M766 HydrophobicContact CB-SD 4.1Å; K518-M766 HydrophobicContact CG-CE 4.35Å; K518-M766 HydrophobicContact CG-SD 3.96Å; L522-M766 HydrophobicContact CD1-CE 3.77Å; L522-M766 HydrophobicContact CD1-CG 4.47Å; M766-T768 HydrophobicContact CG-CG2 4.37Å; M766-T768 HydrophobicContact SD-CG2 4.33Å; M766-A775 HydrophobicContact SD-CB 3.96Å; M766-V778 HydrophobicContact CE-CB 4.18Å; M766-V778 HydrophobicContact CE-CG1 3.82Å; M766-A779 HydrophobicContact CE-CB 3.87Å; M766-M784 HydrophobicContact CB-CE 4.03Å; M766-M784 HydrophobicContact CB-SD 3.71Å; M766-M784 HydrophobicContact CE-CE 4.45Å; M766-M784 PolarHBondContact N-SD 3.07Å; M766-M784 VanDerWaalsContact N-SD 3.43Å; M766-T871 PolarHBondContact N-O 3.23Å; M766-F873 PolarHBondContact O-N 2.85Å
767V93.7Very high88.2Confident3 Ų331.3 Ų31.32%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-127111.2176.2-169.70000107.8C515 F516 D517 I765 F873 M876 K881 L884C515-V767 HydrophobicContact CB-CG2 4.11Å; F516-V767 PolarHBondContact O-N 3.39Å; D517-V767 WeakPolarHBondContact CA-O 3.45Å; D517-V767 VanDerWaalsContact OD1-O 3.06Å; I765-V767 HydrophobicContact CG2-CG2 3.88Å; V767-F873 CarbonylContact C-O 3.53Å; V767-F873 WeakPolarHBondContact CA-O 3.37Å; V767-F873 HydrophobicContact CG1-CB 4.37Å; V767-M876 HydrophobicContact CG1-CB 4.31Å; V767-M876 HydrophobicContact CG1-CG 4.16Å; V767-K881 HydrophobicContact CG1-CB 4.29Å; V767-K881 HydrophobicContact CG1-CD 4.26Å; V767-K881 HydrophobicContact CG1-CG 3.75Å; V767-L884 HydrophobicContact CB-CD2 4.5Å; V767-L884 HydrophobicContact CG1-CD2 4.05Å; V767-L884 HydrophobicContact CG2-CD2 3.59Å
768T88.5Confident88.1Confident1 Ų131.5 Ų31.51%0.00616%0.161CC..  trans-141.3157.2-170.6-177.70000113.2K518 M766 D770 A775 F873 A874 R875 M876K518-T768 HydrophobicContact CB-CG2 4.34Å; M766-T768 HydrophobicContact CG-CG2 4.37Å; M766-T768 HydrophobicContact SD-CG2 4.33Å; T768-D770 VanDerWaalsContact C-N 3.33Å; T768-D770 HydrophobicContact CG2-CB 4.16Å; T768-D770 PolarHBondContact OG1-N 2.95Å; T768-D770 VanDerWaalsContact OG1-N 3.15Å; T768-A775 HydrophobicContact CG2-CB 3.73Å; T768-F873 PolarHBondContact N-O 3.31Å; T768-A874 HydrophobicContact CG2-CB 4.2Å; T768-A874 CarbonylContact O-C 3.59Å; T768-A874 VanDerWaalsContact O-C 3.3Å; T768-A874 WeakPolarHBondContact O-CA 3.18Å; T768-R875 PolarHBondContact O-N 2.96Å; T768-M876 PolarHBondContact O-N 2.98Å
769G81.1Confident88.1Confident44 Ų4425.7 Ų25.745%0.45413%0.134SC..SBendtrans-80.8-8.6169.100000114.3R875G769-R875 WeakPolarHBondContact O-CA 3.43Å
770D78.8Confident88.1Confident25 Ų2521.6 Ų21.613%0.13412%0.119CC..SBendtrans-74.3172-174.7-86.75.5000114.3K518 T768 A874 R875K518-D770 WeakPolarHBondContact CD-OD2 3.4Å; K518-D770 WeakPolarHBondContact CE-OD2 3.47Å; K518-D770 IonicContact NZ-OD2 3.43Å; K518-D770 PolarHBondContact NZ-OD2 3.08Å; T768-D770 VanDerWaalsContact C-N 3.33Å; T768-D770 HydrophobicContact CG2-CB 4.16Å; T768-D770 PolarHBondContact OG1-N 2.95Å; T768-D770 VanDerWaalsContact OG1-N 3.15Å; D770-A874 WeakPolarHBondContact O-CB 3.33Å; D770-R875 VanDerWaalsContact O-CG 3.23Å; D770-R875 WeakPolarHBondContact O-CG 3.48Å; D770-R875 PolarHBondContact O-N 2.91Å
771N81.7Confident88.2Confident42 Ų4226.1 Ų26.123%0.22514%0.143CC..  trans-61143.5172.9-166.1-37.3000111.1L773 T774 A775 R875N771-L773 PolarHBondContact O-N 3.2Å; N771-L773 PolarHBondContact OD1-N 3.48Å; N771-T774 PolarHBondContact O-N 2.97Å; N771-A775 WeakPolarHBondContact O-CB 3.42Å; N771-A775 PolarHBondContact O-N 3.09Å; N771-R875 PolarHBondContact ND2-NH2 3.44Å
772M84.8Confident88.3Confident18 Ų1821 Ų219%0.08912%0.116CC..Hα-helixtrans-51.1-53.5178-174.454.869.100113.5T774 A775 V776 I793 A846 M847 N848 V872 A874M772-T774 PolarHBondContact O-N 3.36Å; M772-A775 PolarHBondContact O-N 3.29Å; M772-V776 WeakPolarHBondContact O-CG2 3.31Å; M772-V776 PolarHBondContact O-N 2.7Å; M772-V776 HydrophobicContact SD-CG2 4.23Å; M772-I793 HydrophobicContact CG-CD1 4.34Å; M772-A846 HydrophobicContact CE-CB 4.43Å; M772-A846 HydrophobicContact SD-CB 3.52Å; M772-A846 VanDerWaalsContact SD-CB 3.52Å; M772-M847 WeakPolarHBondContact CE-O 3.49Å; M772-N848 HydrophobicContact CE-CB 4.03Å; M772-N848 VanDerWaalsContact CE-N 3.29Å; M772-V872 HydrophobicContact SD-CG1 4.12Å; M772-A874 HydrophobicContact CB-CB 4.33Å; M772-A874 HydrophobicContact CE-CB 3.63Å; M772-A874 HydrophobicContact SD-CB 3.92Å
773L84.1Confident88.2Confident50 Ų5023 Ų2326%0.26214%0.137SC..Hα-helixtrans-65.6-40.8-174.3-64.5178000111.6N771 V776 S777 I793N771-L773 PolarHBondContact O-N 3.2Å; N771-L773 PolarHBondContact OD1-N 3.48Å; L773-V776 PolarHBondContact O-N 2.63Å; L773-S777 PolarHBondContact O-N 2.88Å; L773-I793 HydrophobicContact CD2-CD1 4.33Å
774T82.6Confident88.1Confident6 Ų621.1 Ų21.14%0.03713%0.131CC..Hα-helixtrans-61.2-45.2173.6-51.90000111.2N771 M772 V776 S777 V778N771-T774 PolarHBondContact O-N 2.97Å; M772-T774 PolarHBondContact O-N 3.36Å; T774-V776 VanDerWaalsContact C-N 3.34Å; T774-V776 PolarHBondContact O-N 3.49Å; T774-S777 PolarHBondContact O-N 3.11Å; T774-V778 WeakPolarHBondContact O-CG2 3.48Å; T774-V778 PolarHBondContact O-N 3.45Å
775A87.1Confident87.9Confident0 Ų020.6 Ų20.60%013%0.128CC..Hα-helixtrans-63.1-39.4177.700000112.1M766 T768 N771 M772 V778 A779 V872 A874M766-A775 HydrophobicContact SD-CB 3.96Å; T768-A775 HydrophobicContact CG2-CB 3.73Å; N771-A775 WeakPolarHBondContact O-CB 3.42Å; N771-A775 PolarHBondContact O-N 3.09Å; M772-A775 PolarHBondContact O-N 3.29Å; A775-V778 PolarHBondContact O-N 3.44Å; A775-A779 VanDerWaalsContact O-CB 3.26Å; A775-A779 WeakPolarHBondContact O-CB 3.34Å; A775-A779 PolarHBondContact O-N 2.91Å; A775-V872 HydrophobicContact CB-CG1 3.58Å; A775-A874 HydrophobicContact CB-CB 4.08Å
776V89.1Confident87.5Confident8 Ų822.6 Ų22.65%0.04814%0.141CC..Hα-helixtrans-65.2-42.1174.5172.20000111.5M772 L773 T774 A779 R780 V791 A846 V872M772-V776 WeakPolarHBondContact O-CG2 3.31Å; M772-V776 PolarHBondContact O-N 2.7Å; M772-V776 HydrophobicContact SD-CG2 4.23Å; L773-V776 PolarHBondContact O-N 2.63Å; T774-V776 VanDerWaalsContact C-N 3.34Å; T774-V776 PolarHBondContact O-N 3.49Å; V776-A779 PolarHBondContact O-N 3.48Å; V776-R780 PolarHBondContact O-N 3.46Å; V776-V791 HydrophobicContact CG1-CB 4.48Å; V776-V791 HydrophobicContact CG1-CG1 4.25Å; V776-V791 HydrophobicContact CG1-CG2 4.17Å; V776-V791 HydrophobicContact CG2-CG1 4.14Å; V776-A846 HydrophobicContact CG2-CB 4.05Å; V776-V872 HydrophobicContact CG2-CB 4.49Å; V776-V872 HydrophobicContact CG2-CG1 4.34Å; V776-V872 HydrophobicContact CG2-CG2 4.44Å
777S87.1Confident86.8Confident11 Ų1127.6 Ų27.68%0.07717%0.173CC..Hα-helixtrans-59.8-51.6174-169.70000111.1K700 G702 L773 T774 A779 R780 D781K700-S777 PolarHBondContact O-OG 3.23Å; G702-S777 VanDerWaalsContact CA-CB 3.45Å; G702-S777 VanDerWaalsContact CA-OG 3.3Å; G702-S777 WeakPolarHBondContact CA-OG 3.23Å; G702-S777 PolarHBondContact N-OG 3.15Å; L773-S777 PolarHBondContact O-N 2.88Å; T774-S777 PolarHBondContact O-N 3.11Å; S777-A779 VanDerWaalsContact C-N 3.25Å; S777-A779 PolarHBondContact O-N 3.22Å; S777-R780 WeakPolarHBondContact O-CA 3.45Å; S777-R780 WeakPolarHBondContact O-CB 3.16Å; S777-R780 PolarHBondContact O-N 2.96Å; S777-D781 PolarHBondContact O-N 2.76Å; S777-D781 PolarHBondContact OG-OD2 2.71Å
778V88.7Confident86.3Confident4 Ų435 Ų352%0.02421%0.207CC..Hα-helixtrans-61.3-36.1179.1175.80000111.2K518 T523 L746 M766 T774 A775 R780 D781 C782K518-V778 HydrophobicContact CD-CG1 4.46Å; K518-V778 HydrophobicContact CD-CG2 4.45Å; K518-V778 HydrophobicContact CG-CG1 3.98Å; T523-V778 HydrophobicContact CG2-CG1 4.24Å; L746-V778 HydrophobicContact CD2-CG1 3.91Å; M766-V778 HydrophobicContact CE-CB 4.18Å; M766-V778 HydrophobicContact CE-CG1 3.82Å; T774-V778 WeakPolarHBondContact O-CG2 3.48Å; T774-V778 PolarHBondContact O-N 3.45Å; A775-V778 PolarHBondContact O-N 3.44Å; V778-R780 VanDerWaalsContact C-N 3.3Å; V778-R780 PolarHBondContact O-N 3.38Å; V778-D781 PolarHBondContact O-N 2.84Å; V778-C782 WeakPolarHBondContact O-CB 3.47Å; V778-C782 PolarHBondContact O-N 3.28Å; V778-C782 PolarHBondContact O-SG 3.39Å
779A90.9Very high86.1Confident0 Ų036 Ų360%021%0.213CC..Hα-helixtrans-65.1-33175.300000112.3M766 A775 V776 S777 G783 M784 I785 V872M766-A779 HydrophobicContact CE-CB 3.87Å; A775-A779 VanDerWaalsContact O-CB 3.26Å; A775-A779 WeakPolarHBondContact O-CB 3.34Å; A775-A779 PolarHBondContact O-N 2.91Å; V776-A779 PolarHBondContact O-N 3.48Å; S777-A779 VanDerWaalsContact C-N 3.25Å; S777-A779 PolarHBondContact O-N 3.22Å; A779-G783 PolarHBondContact O-N 3.44Å; A779-M784 HydrophobicContact CB-CB 4.31Å; A779-M784 WeakPolarHBondContact O-CA 3.47Å; A779-M784 WeakPolarHBondContact O-CB 3.28Å; A779-M784 PolarHBondContact O-N 2.94Å; A779-I785 HydrophobicContact CB-CD1 3.87Å; A779-I785 HydrophobicContact CB-CG1 4.11Å; A779-I785 PolarHBondContact O-N 3.41Å; A779-V872 HydrophobicContact CB-CG2 3.79Å
780R89.5Confident86.3Confident66 Ų6635.8 Ų35.825%0.24920%0.202CC..Hα-helixtrans-73.8-47.6172.1-74.2-173.8160.7163.52.4112.3V776 S777 V778 C782 G783 I785 D789 D813V776-R780 PolarHBondContact O-N 3.46Å; S777-R780 WeakPolarHBondContact O-CA 3.45Å; S777-R780 WeakPolarHBondContact O-CB 3.16Å; S777-R780 PolarHBondContact O-N 2.96Å; V778-R780 VanDerWaalsContact C-N 3.3Å; V778-R780 PolarHBondContact O-N 3.38Å; R780-C782 PolarHBondContact O-N 2.94Å; R780-G783 PolarHBondContact O-N 3.16Å; R780-I785 WeakPolarHBondContact CA-O 3.37Å; R780-I785 HydrophobicContact CG-CB 4.18Å; R780-I785 HydrophobicContact CG-CG2 4.33Å; R780-D789 PolarHBondContact NH2-O 3.02Å; R780-D813 IonicContact CZ-OD1 3.9Å; R780-D813 IonicContact CZ-OD2 2.78Å; R780-D813 IonicContact NH1-OD1 3.13Å; R780-D813 PolarHBondContact NH1-OD1 2.91Å; R780-D813 IonicContact NH1-OD2 2.95Å; R780-D813 IonicContact NH2-OD1 3.2Å; R780-D813 PolarHBondContact NH2-OD1 3.2Å; R780-D813 IonicContact NH2-OD2 3.23Å; R780-D813 PolarHBondContact NH2-OD2 3.31Å
781D88.6Confident86.8Confident97 Ų9734.6 Ų34.652%0.51920%0.196SC..Hα-helixtrans-61.3-34.4-177.8-62.4-28.2000112L746 S777 V778L746-D781 HydrophobicContact CD1-CB 3.65Å; S777-D781 PolarHBondContact O-N 2.76Å; S777-D781 PolarHBondContact OG-OD2 2.71Å; V778-D781 PolarHBondContact O-N 2.84Å
782C89.7Confident87.2Confident2 Ų232.6 Ų32.61%0.01419%0.186CC..THydrogen-bonded Turntrans-86.1-3.3176.473.70000114.5L746 T750 L754 V778 R780L746-C782 HydrophobicContact CD1-CB 4.14Å; L746-C782 HydrophobicContact CD2-CB 4.01Å; T750-C782 HydrophobicContact CG2-CB 3.92Å; L754-C782 HydrophobicContact CD1-CB 3.71Å; L754-C782 WeakPolarHBondContact CD1-O 3.31Å; L754-C782 WeakPolarHBondContact CD1-SG 3.29Å; V778-C782 WeakPolarHBondContact O-CB 3.47Å; V778-C782 PolarHBondContact O-N 3.28Å; V778-C782 PolarHBondContact O-SG 3.39Å; R780-C782 PolarHBondContact O-N 2.94Å
783G88.3Confident87.4Confident46 Ų4633.1 Ų33.147%0.47419%0.188SC..THydrogen-bonded Turntrans76.217.4-179.800000114.9A779 R780A779-G783 PolarHBondContact O-N 3.44Å; R780-G783 PolarHBondContact O-N 3.16Å
784M90.5Very high87.6Confident9 Ų930.7 Ų30.74%0.04418%0.176CC..SBendtrans-70.9-35.9171.3-176.3178.2-59.900111.5F516 L522 L754 M766 A779 T871F516-M784 HydrophobicContact CD2-CE 4.48Å; L522-M784 HydrophobicContact CD1-CE 4.21Å; L754-M784 HydrophobicContact CD1-CB 4.47Å; L754-M784 HydrophobicContact CD1-CE 4.44Å; L754-M784 HydrophobicContact CD2-CE 4.48Å; M766-M784 HydrophobicContact CB-CE 4.03Å; M766-M784 HydrophobicContact CB-SD 3.71Å; M766-M784 HydrophobicContact CE-CE 4.45Å; M766-M784 PolarHBondContact N-SD 3.07Å; M766-M784 VanDerWaalsContact N-SD 3.43Å; A779-M784 HydrophobicContact CB-CB 4.31Å; A779-M784 WeakPolarHBondContact O-CA 3.47Å; A779-M784 WeakPolarHBondContact O-CB 3.28Å; A779-M784 PolarHBondContact O-N 2.94Å; M784-T871 HydrophobicContact CG-CG2 3.79Å; M784-T871 HydrophobicContact SD-CG2 3.95Å
785I90.6Very high87.9Confident1 Ų132.2 Ų32.21%0.00518%0.184CC..SBendtrans-116.6117.2170.9-60.3174.5000107.5A779 R780 D789 V791 H844 T871 V872A779-I785 HydrophobicContact CB-CD1 3.87Å; A779-I785 HydrophobicContact CB-CG1 4.11Å; A779-I785 PolarHBondContact O-N 3.41Å; R780-I785 WeakPolarHBondContact CA-O 3.37Å; R780-I785 HydrophobicContact CG-CB 4.18Å; R780-I785 HydrophobicContact CG-CG2 4.33Å; I785-D789 HydrophobicContact CG2-CB 4.33Å; I785-V791 HydrophobicContact CD1-CG2 3.98Å; I785-V791 HydrophobicContact CG2-CG2 4.01Å; I785-H844 HydrophobicContact CD1-CB 4.43Å; I785-T871 HydrophobicContact CD1-CG2 4.1Å; I785-T871 HydrophobicContact CG1-CG2 3.75Å; I785-V872 HydrophobicContact CD1-CG2 3.92Å
786P86Confident87.8Confident42 Ų4232.5 Ų32.527%0.27319%0.186SC..  trans-57.7148.6172-24.835.3000112E788 D789P786-E788 PolarHBondContact O-N 3.22Å; P786-D789 HydrophobicContact CB-CB 4.45Å; P786-D789 VanDerWaalsContact CD-OD2 3.28Å; P786-D789 WeakPolarHBondContact CD-OD2 3.21Å; P786-D789 VanDerWaalsContact CG-OD2 3.26Å; P786-D789 WeakPolarHBondContact CG-OD2 3.41Å; P786-D789 PolarHBondContact O-N 3.48Å; P786-D789 VanDerWaalsContact O-N 3.16Å
787P81.3Confident87.6Confident105 Ų10536.6 Ų36.668%0.68221%0.207SC*.THydrogen-bonded Turntrans-64.3-25.5-17824.8-33.4000113.6D789P787-D789 VanDerWaalsContact C-N 3.34Å
788E82.4Confident87.4Confident159 Ų15938.9 Ų38.974%0.74322%0.222SC*.THydrogen-bonded Turntrans-79.1-17.1179.2-50.5-57.6160.300113.4P786P786-E788 PolarHBondContact O-N 3.22Å
789D84.9Confident87Confident21 Ų2141.9 Ų41.911%0.11224%0.241CC..SBendtrans-87.2140.8-173-71-15.8000111.6R780 I785 P786 P787 L842 H844R780-D789 PolarHBondContact NH2-O 3.02Å; I785-D789 HydrophobicContact CG2-CB 4.33Å; P786-D789 HydrophobicContact CB-CB 4.45Å; P786-D789 VanDerWaalsContact CD-OD2 3.28Å; P786-D789 WeakPolarHBondContact CD-OD2 3.21Å; P786-D789 VanDerWaalsContact CG-OD2 3.26Å; P786-D789 WeakPolarHBondContact CG-OD2 3.41Å; P786-D789 PolarHBondContact O-N 3.48Å; P786-D789 VanDerWaalsContact O-N 3.16Å; P787-D789 VanDerWaalsContact C-N 3.34Å; D789-L842 WeakPolarHBondContact OD1-CB 3.35Å; D789-L842 PolarHBondContact OD1-N 2.83Å; D789-H844 IonicContact OD2-NE2 3.84Å; D789-H844 PolarHBondContact OD2-NE2 2.83Å
790T86.5Confident86.2Confident39 Ų3948.3 Ų48.324%0.23927%0.271CS..EExtended strand (participates in β ladder)trans-85.5134-174.256.60000111.6L842 Y843 H844T790-L842 PolarHBondContact N-O 3.41Å; T790-L842 PolarHBondContact OG1-O 3.25Å; T790-Y843 CarbonylContact O-C 3.47Å; T790-Y843 VanDerWaalsContact O-CA 3.28Å; T790-Y843 WeakPolarHBondContact O-CA 3.15Å; T790-Y843 WeakPolarHBondContact OG1-CB 3.3Å; T790-H844 PolarHBondContact O-N 2.94Å
791V88.8Confident84.4Confident1 Ų153.3 Ų53.31%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-104.5121.2176.6-176.30000110.6V776 I785 A812 H844 A846V776-V791 HydrophobicContact CG1-CB 4.48Å; V776-V791 HydrophobicContact CG1-CG1 4.25Å; V776-V791 HydrophobicContact CG1-CG2 4.17Å; V776-V791 HydrophobicContact CG2-CG1 4.14Å; I785-V791 HydrophobicContact CD1-CG2 3.98Å; I785-V791 HydrophobicContact CG2-CG2 4.01Å; V791-A812 HydrophobicContact CB-CB 4.04Å; V791-A812 HydrophobicContact CG1-CB 4.3Å; V791-A812 PolarHBondContact O-N 3.32Å; V791-H844 CarbonylContact C-O 3.56Å; V791-H844 WeakPolarHBondContact CA-O 3.49Å; V791-A846 HydrophobicContact CG1-CB 3.83Å
792I89.8Confident83.1Confident0 Ų053.1 Ų53.10%032%0.323CS..EExtended strand (participates in β ladder)trans-105.8115.2177.6-51.3175.3000108.8W809 R810 Y811 Y843 H844 F845 A846 P1239I792-W809 HydrophobicContact CG2-CB 4.26Å; I792-W809 HydrophobicContact CG2-CE3 4.1Å; I792-R810 CarbonylContact C-O 3.52Å; I792-Y811 HydrophobicContact CD1-CE1 4.35Å; I792-Y811 HydrophobicContact CD1-CE2 4.11Å; I792-Y811 HydrophobicContact CG1-CD1 4.46Å; I792-Y811 HydrophobicContact CG1-CD2 4.35Å; I792-Y811 HydrophobicContact CG1-CE1 4.06Å; I792-Y811 HydrophobicContact CG1-CE2 3.94Å; I792-Y811 HydrophobicContact CG2-CD2 4.48Å; I792-Y811 HydrophobicContact CG2-CE2 4.27Å; I792-Y843 HydrophobicContact CD1-CD2 4.28Å; I792-Y843 HydrophobicContact CD1-CG 4.38Å; I792-H844 PolarHBondContact N-O 3.31Å; I792-F845 HydrophobicContact CB-CD1 3.8Å; I792-F845 HydrophobicContact CB-CE1 3.85Å; I792-F845 HydrophobicContact CD1-CE1 4.14Å; I792-F845 HydrophobicContact CD1-CZ 4.46Å; I792-F845 HydrophobicContact CG2-CD1 4Å; I792-F845 HydrophobicContact CG2-CE1 3.78Å; I792-F845 CarbonylContact O-C 3Å; I792-F845 VanDerWaalsContact O-CA 3.28Å; I792-F845 WeakPolarHBondContact O-CA 3.24Å; I792-A846 PolarHBondContact O-N 3.09Å; I792-P1239 HydrophobicContact CD1-CB 4.02Å
793I89.3Confident82.1Confident28 Ų2858.6 Ų58.614%0.14435%0.349CS..EExtended strand (participates in β ladder)trans-84.7122.1175.5-55.2175.6000108.8M772 L773 R810 A812 A846M772-I793 HydrophobicContact CG-CD1 4.34Å; L773-I793 HydrophobicContact CD2-CD1 4.33Å; I793-R810 HydrophobicContact CB-CB 4.34Å; I793-R810 PolarHBondContact N-O 3.28Å; I793-R810 PolarHBondContact O-N 3.39Å; I793-A812 HydrophobicContact CD1-CB 4.08Å; I793-A812 HydrophobicContact CG1-CB 4.35Å; I793-A846 VanDerWaalsContact CA-O 3.29Å; I793-A846 WeakPolarHBondContact CA-O 3.46Å; I793-A846 HydrophobicContact CG1-CB 4.41Å
794A88.8Confident81.6Confident0 Ų058.3 Ų58.30%034%0.342CS..EExtended strand (participates in β ladder)trans-95.6108.8174.800000109.6I807 W809 A846 M847A794-I807 HydrophobicContact CB-CG2 4.45Å; A794-W809 HydrophobicContact CB-CE3 3.96Å; A794-W809 HydrophobicContact CB-CH2 4.37Å; A794-W809 HydrophobicContact CB-CZ3 3.53Å; A794-A846 PolarHBondContact N-O 3.06Å; A794-M847 HydrophobicContact CB-CB 4.41Å
795D87.6Confident81.3Confident38 Ų3858 Ų5820%0.20334%0.341CS..EExtended strand (participates in β ladder)trans-111.3111.6-179.8-162.813.4000109.6I807 T808 R810 S851D795-I807 CarbonylContact O-C 3.53Å; D795-T808 PolarHBondContact N-O 3.29Å; D795-T808 PolarHBondContact O-N 3.49Å; D795-R810 IonicContact OD2-CZ 2.54Å; D795-R810 IonicContact OD2-NH1 3.46Å; D795-R810 IonicContact OD2-NH2 3.41Å; D795-S851 PolarHBondContact OD1-OG 2.87Å
796A86.3Confident81Confident5 Ų560.4 Ų60.44%0.04135%0.351CS..EExtended strand (participates in β ladder)trans-103.2134.3-179.200000111.5K806 I807 S851 I854 I855A796-K806 CarbonylContact C-O 3.54Å; A796-K806 WeakPolarHBondContact CA-O 3.28Å; A796-I807 HydrophobicContact CB-CG1 4.12Å; A796-S851 PolarHBondContact N-OG 3.1Å; A796-I854 HydrophobicContact CB-CB 4.18Å; A796-I854 HydrophobicContact CB-CG2 4.04Å; A796-I854 WeakPolarHBondContact O-CD1 3.29Å; A796-I855 HydrophobicContact CB-CD1 4.06Å; A796-I855 HydrophobicContact CB-CG1 3.78Å
797L84.2Confident81Confident95 Ų9558.4 Ų58.450%0.49734%0.338SS..EExtended strand (participates in β ladder)trans-107.3138.4177.6-66.7170.4000110.3K806L797-K806 PolarHBondContact N-O 2.68Å; L797-K806 PolarHBondContact O-N 2.96Å
798P81.8Confident81.2Confident59 Ų5954.9 Ų54.938%0.38332%0.315SS..  trans-67.6160.3176.730.5-34.4000111H800 I854P798-H800 PolarHBondContact O-N 3.09Å; P798-I854 HydrophobicContact CB-CD1 4.29Å
799P80.7Confident81.4Confident66 Ų6647.3 Ų47.343%0.42928%0.279SS..  trans-65.1130.3175.726.5-31.1000110.8Q803P799-Q803 WeakPolarHBondContact CA-O 3.42Å; P799-Q803 VanDerWaalsContact CB-O 3.23Å; P799-Q803 WeakPolarHBondContact CB-O 3.25Å
800H73.8Confident81.3Confident135 Ų13553 Ų5363%0.62530%0.299SS*.  trans-126.7134.7175.2-84.3-78000109.9P798 G802 Q803P798-H800 PolarHBondContact O-N 3.09Å; H800-G802 PolarHBondContact O-N 3.39Å; H800-Q803 WeakPolarHBondContact O-CB 3.44Å; H800-Q803 PolarHBondContact O-N 3.29Å
801D52.9Low81.2Confident171 Ų17154.7 Ų54.791%0.91430%0.302SS*.THydrogen-bonded Turntrans36.664.9171.5-70.1-17.5000115.3Q803D801-Q803 VanDerWaalsContact C-N 3.29Å; D801-Q803 PolarHBondContact O-N 2.98Å
802G60.8Low80.5Confident93 Ų9355.9 Ų55.996%0.95931%0.311SS*.THydrogen-bonded Turntrans78.51.5175.200000115.7H800H800-G802 PolarHBondContact O-N 3.39Å
803Q69.9Low79.5Confident118 Ų11858.1 Ų58.155%0.55132%0.323SS*.PPolyproline II helixtrans-95.5137.1172.7-59.4-173.516.300111.7P799 H800 D801P799-Q803 WeakPolarHBondContact CA-O 3.42Å; P799-Q803 VanDerWaalsContact CB-O 3.23Å; P799-Q803 WeakPolarHBondContact CB-O 3.25Å; H800-Q803 WeakPolarHBondContact O-CB 3.44Å; H800-Q803 PolarHBondContact O-N 3.29Å; D801-Q803 VanDerWaalsContact C-N 3.29Å; D801-Q803 PolarHBondContact O-N 2.98Å
804A76.9Confident77.7Confident40 Ų4068 Ų6833%0.33136%0.359SS..PPolyproline II helixtrans-64.2153.9173.200000111.2K806 A1248A804-K806 VanDerWaalsContact O-CG 3.26Å; A804-K806 WeakPolarHBondContact O-CG 3.29Å; A804-A1248 HydrophobicContact CB-CB 4.29Å
805A83.2Confident75.4Confident2 Ų273.3 Ų73.32%0.01739%0.394CS..PPolyproline II helixtrans-54.6143173.600000110.4I854 H858 F859 A1248A805-I854 HydrophobicContact CB-CG2 4.36Å; A805-H858 HydrophobicContact CB-CB 4.12Å; A805-F859 HydrophobicContact CB-CE2 3.79Å; A805-F859 HydrophobicContact CB-CZ 4.31Å; A805-F859 VanDerWaalsContact O-CZ 3.3Å; A805-F859 WeakPolarHBondContact O-CZ 3.4Å; A805-A1248 HydrophobicContact CB-CB 4.19Å; A805-A1248 PolarHBondContact O-N 3.23Å
806K85.8Confident72.9Confident52 Ų5276.4 Ų76.423%0.22642%0.418CS..EExtended strand (participates in β ladder)trans-130.7143.1-175.5-51.8-164.7-169.8-165.90111.9A796 L797 A804 T1245 T1246 E1247A796-K806 CarbonylContact C-O 3.54Å; A796-K806 WeakPolarHBondContact CA-O 3.28Å; L797-K806 PolarHBondContact N-O 2.68Å; L797-K806 PolarHBondContact O-N 2.96Å; A804-K806 VanDerWaalsContact O-CG 3.26Å; A804-K806 WeakPolarHBondContact O-CG 3.29Å; K806-T1245 HydrophobicContact CB-CG2 3.71Å; K806-T1245 HydrophobicContact CD-CG2 3.94Å; K806-T1245 HydrophobicContact CG-CG2 4.33Å; K806-T1246 CarbonylContact C-O 3.54Å; K806-T1246 WeakPolarHBondContact CA-O 3.49Å; K806-E1247 HydrophobicContact CD-CG 3.98Å; K806-E1247 WeakPolarHBondContact CE-OE1 3.31Å; K806-E1247 HydrophobicContact CG-CG 4.05Å; K806-E1247 IonicContact NZ-OE1 3.19Å; K806-E1247 PolarHBondContact NZ-OE1 3.22Å
807I85.6Confident70.6Confident0 Ų088.1 Ų88.10%046%0.462CS..EExtended strand (participates in β ladder)trans-110125172.6-52.3173000108.7A794 D795 A796 W809 I855 F859 T1245 T1246A794-I807 HydrophobicContact CB-CG2 4.45Å; D795-I807 CarbonylContact O-C 3.53Å; A796-I807 HydrophobicContact CB-CG1 4.12Å; I807-W809 HydrophobicContact CB-CZ2 4.2Å; I807-W809 HydrophobicContact CG2-CD2 4.25Å; I807-W809 HydrophobicContact CG2-CE3 4.37Å; I807-W809 HydrophobicContact CG2-CH2 3.74Å; I807-W809 HydrophobicContact CG2-CZ2 3.6Å; I807-W809 HydrophobicContact CG2-CZ3 4.15Å; I807-I855 HydrophobicContact CD1-CD1 4.24Å; I807-I855 HydrophobicContact CD1-CG1 3.92Å; I807-I855 HydrophobicContact CG1-CG1 4.25Å; I807-F859 HydrophobicContact CD1-CD1 4.14Å; I807-F859 HydrophobicContact CD1-CD2 4.07Å; I807-F859 HydrophobicContact CD1-CE1 4.17Å; I807-F859 HydrophobicContact CD1-CE2 4.12Å; I807-F859 HydrophobicContact CD1-CG 4.06Å; I807-F859 HydrophobicContact CD1-CZ 4.14Å; I807-F859 HydrophobicContact CG1-CD2 4.33Å; I807-F859 HydrophobicContact CG1-CE1 4.41Å; I807-F859 HydrophobicContact CG1-CE2 3.92Å; I807-F859 HydrophobicContact CG1-CZ 3.94Å; I807-T1245 CarbonylContact O-C 3.08Å; I807-T1245 VanDerWaalsContact O-CA 3.24Å; I807-T1245 WeakPolarHBondContact O-CA 3.49Å; I807-T1246 PolarHBondContact N-O 2.9Å; I807-T1246 PolarHBondContact O-N 2.99Å
808T86.1Confident67.9Low30 Ų3089 Ų8918%0.18447%0.471CS..EExtended strand (participates in β ladder)trans-105.5133.1175.2-55.80000110.3D795 R810D795-T808 PolarHBondContact N-O 3.29Å; D795-T808 PolarHBondContact O-N 3.49Å; T808-R810 HydrophobicContact CG2-CG 4.44Å
809W86.1Confident65.5Low1 Ų191.8 Ų91.80%0.00449%0.487CS..EExtended strand (participates in β ladder)trans-102.1117.3-178.2-50.2101.8000111.3I792 A794 I807 F845 M862 L866 P1240 T1243 T1244 T1246I792-W809 HydrophobicContact CG2-CB 4.26Å; I792-W809 HydrophobicContact CG2-CE3 4.1Å; A794-W809 HydrophobicContact CB-CE3 3.96Å; A794-W809 HydrophobicContact CB-CH2 4.37Å; A794-W809 HydrophobicContact CB-CZ3 3.53Å; I807-W809 HydrophobicContact CB-CZ2 4.2Å; I807-W809 HydrophobicContact CG2-CD2 4.25Å; I807-W809 HydrophobicContact CG2-CE3 4.37Å; I807-W809 HydrophobicContact CG2-CH2 3.74Å; I807-W809 HydrophobicContact CG2-CZ2 3.6Å; I807-W809 HydrophobicContact CG2-CZ3 4.15Å; W809-F845 HydrophobicContact CE3-CD1 4.37Å; W809-F845 AromaticContact CE3-CE1 3.87Å; W809-F845 HydrophobicContact CE3-CE1 3.87Å; W809-F845 HydrophobicContact CZ3-CD1 4Å; W809-F845 AromaticContact CZ3-CE1 3.61Å; W809-F845 HydrophobicContact CZ3-CE1 3.61Å; W809-F845 HydrophobicContact CZ3-CZ 4.44Å; W809-M862 HydrophobicContact CH2-CE 4.45Å; W809-M862 HydrophobicContact CZ2-CE 4.2Å; W809-L866 HydrophobicContact CH2-CD1 4.13Å; W809-L866 HydrophobicContact CH2-CD2 3.53Å; W809-L866 HydrophobicContact CH2-CG 4.28Å; W809-L866 HydrophobicContact CZ3-CD2 3.52Å; W809-P1240 HydrophobicContact CB-CB 4.41Å; W809-P1240 HydrophobicContact CB-CG 4.4Å; W809-P1240 HydrophobicContact CD2-CB 3.85Å; W809-P1240 HydrophobicContact CD2-CG 3.45Å; W809-P1240 VanDerWaalsContact CD2-CG 3.45Å; W809-P1240 HydrophobicContact CE3-CG 3.72Å; W809-P1240 HydrophobicContact CG-CB 3.7Å; W809-P1240 HydrophobicContact CG-CG 3.75Å; W809-P1240 HydrophobicContact CH2-CG 4.49Å; W809-P1240 HydrophobicContact CZ2-CG 4.26Å; W809-P1240 HydrophobicContact CZ3-CG 4.22Å; W809-T1243 WeakPolarHBondContact O-CA 3.47Å; W809-T1243 PolarHBondContact O-N 2.98Å; W809-T1244 VanDerWaalsContact CD1-O 3.24Å; W809-T1244 VanDerWaalsContact CD1-OG1 3.3Å; W809-T1244 PolarHBondContact N-O 2.98Å; W809-T1246 PolarHBondContact NE1-OG1 3.24Å
810R83.6Confident63.1Low139 Ų13999.3 Ų99.353%0.52551%0.507SS..EExtended strand (participates in β ladder)trans-118.3132.4179.6-63.8-176.5-177.1169.96.5110.6I792 I793 D795 T808I792-R810 CarbonylContact C-O 3.52Å; I793-R810 HydrophobicContact CB-CB 4.34Å; I793-R810 PolarHBondContact N-O 3.28Å; I793-R810 PolarHBondContact O-N 3.39Å; D795-R810 IonicContact OD2-CZ 2.54Å; D795-R810 IonicContact OD2-NH1 3.46Å; D795-R810 IonicContact OD2-NH2 3.41Å; T808-R810 HydrophobicContact CG2-CG 4.44Å
811Y83.3Confident61.1Low75 Ų75101.4 Ų101.429%0.29452%0.521SS..EExtended strand (participates in β ladder)trans-87127.3175.1-80.2-122.1000108.5I792 D813 P1240 P1242I792-Y811 HydrophobicContact CD1-CE1 4.35Å; I792-Y811 HydrophobicContact CD1-CE2 4.11Å; I792-Y811 HydrophobicContact CG1-CD1 4.46Å; I792-Y811 HydrophobicContact CG1-CD2 4.35Å; I792-Y811 HydrophobicContact CG1-CE1 4.06Å; I792-Y811 HydrophobicContact CG1-CE2 3.94Å; I792-Y811 HydrophobicContact CG2-CD2 4.48Å; I792-Y811 HydrophobicContact CG2-CE2 4.27Å; Y811-D813 PolarHBondContact O-N 2.89Å; Y811-P1240 PolarHBondContact OH-O 3Å; Y811-P1242 HydrophobicContact CD2-CB 3.72Å; Y811-P1242 HydrophobicContact CE2-CB 3.84Å; Y811-P1242 HydrophobicContact CE2-CG 4.49Å; Y811-P1242 HydrophobicContact CG-CB 4.41Å
812A74.1Confident60.1Low26 Ų26100.8 Ų100.822%0.21551%0.513CS..SBendtrans-68.2-30.7178.700000111.4V791 I793V791-A812 HydrophobicContact CB-CB 4.04Å; V791-A812 HydrophobicContact CG1-CB 4.3Å; V791-A812 PolarHBondContact O-N 3.32Å; I793-A812 HydrophobicContact CD1-CB 4.08Å; I793-A812 HydrophobicContact CG1-CB 4.35Å
813D68.4Low58.8Low47 Ų47105.9 Ų105.925%0.25151%0.512SS..  trans-107.7128.7179.1-47.3-67.2000110.7R780 Y811 P815R780-D813 IonicContact CZ-OD1 3.9Å; R780-D813 IonicContact CZ-OD2 2.78Å; R780-D813 IonicContact NH1-OD1 3.13Å; R780-D813 PolarHBondContact NH1-OD1 2.91Å; R780-D813 IonicContact NH1-OD2 2.95Å; R780-D813 IonicContact NH2-OD1 3.2Å; R780-D813 PolarHBondContact NH2-OD1 3.2Å; R780-D813 IonicContact NH2-OD2 3.23Å; R780-D813 PolarHBondContact NH2-OD2 3.31Å; Y811-D813 PolarHBondContact O-N 2.89Å; D813-P815 WeakPolarHBondContact O-CD 3.24Å
814R52.2Low56.9Low235 Ų235106.1 Ų106.189%0.88752%0.516SS*.  trans-78.7118.7154.6-71.5-176.5178.9175.40.8105.5S816R814-S816 PolarHBondContact O-N 3.13Å
815P40.7Very low54.8Low113 Ų113112.3 Ų112.373%0.73454%0.543SS*.  trans-58.5112.1174.522.8-30.7000107.7D813 R817D813-P815 WeakPolarHBondContact O-CD 3.24Å; P815-R817 VanDerWaalsContact C-N 3.25Å; P815-R817 PolarHBondContact O-N 3.02Å
816S34.6Very low52.3Low103 Ų103119 Ų11972%0.7258%0.577SS**  trans-62.690.3173.5-48.20000107.8R814 T818R814-S816 PolarHBondContact O-N 3.13Å; S816-T818 PolarHBondContact O-N 3.45Å; S816-T818 PolarHBondContact O-OG1 2.89Å
817R37.7Very low49.8Very low251 Ų251121.2 Ų121.295%0.94760%0.599SS**  trans-67.190.3158.6-96.9-176.7168.2178.7-3.4107.1P815P815-R817 VanDerWaalsContact C-N 3.25Å; P815-R817 PolarHBondContact O-N 3.02Å
818T28.7Very low47.1Very low114 Ų114128.3 Ų128.370%0.69964%0.637SS**  trans-127.6129.8166.729.70000107S816S816-T818 PolarHBondContact O-N 3.45Å; S816-T818 PolarHBondContact O-OG1 2.89Å
819T30Very low44.5Very low116 Ų116135.5 Ų135.571%0.71267%0.668SS**  cis-168.5152.2-13.4-33.50000104.1
820R31.3Very low41.8Very low225 Ų225142.6 Ų142.685%0.84971%0.706SS**  trans69.6104.4167.3-61.4-178-178.8169.40.2117.6
821L30.6Very low39.2Very low178 Ų178144.1 Ų144.193%0.93272%0.719SS**  -145122.2115.8-101155.1000107.3
822E31.9Very low36.8Very low159 Ų159143.9 Ų143.974%0.74374%0.739SS**  trans-58.8152.2178.9-68.9165.2156.200111I824E822-I824 PolarHBondContact O-N 2.94Å
823E34.3Very low34.6Very low200 Ų200151.6 Ų151.694%0.93577%0.771SS**  trans-46.3103.3160.4-65.5171.1153.100110.2
824I30Very low32.8Very low122 Ų122154.2 Ų154.263%0.62680%0.799SS**  trans-129.1100.9160.3-61.7-177.4000107E822 I826E822-I824 PolarHBondContact O-N 2.94Å; I824-I826 HydrophobicContact CG2-CD1 3.68Å; I824-I826 HydrophobicContact CG2-CG1 3.72Å; I824-I826 PolarHBondContact O-N 2.68Å; I824-I826 VanDerWaalsContact O-N 3.16Å
825N33.7Very low31.8Very low171 Ų171152 Ų15291%0.91480%0.799SS**  trans-58.7105.9159.2-84.1-27.7000109
826I28.7Very low31.4Very low141 Ų141155.1 Ų155.172%0.72380%0.804SS**  trans-132.9107.4155.8-64.2167.3000108I824I824-I826 HydrophobicContact CG2-CD1 3.68Å; I824-I826 HydrophobicContact CG2-CG1 3.72Å; I824-I826 PolarHBondContact O-N 2.68Å; I824-I826 VanDerWaalsContact O-N 3.16Å
827S34.4Very low31.4Very low99 Ų99155.9 Ų155.969%0.69281%0.806SS**  trans-62.6133.4154.747.40000110.2
828L29.2Very low31.1Very low150 Ų150153.8 Ų153.879%0.78580%0.804SS**  trans161125.1132.4-85.5153.9000112.1
829E31.7Very low31.5Very low180 Ų180154.4 Ų154.484%0.84181%0.808SS**  trans18.8125.6143.5-66176.8169.700122.2
830D28.2Very low32.2Very low150 Ų150157.1 Ų157.180%0.80281%0.812SS**  trans96.7140.3130.2-130.71.6000122.9
831E29.5Very low33.2Very low171 Ų171150.9 Ų150.980%0.79980%0.801SS**  trans74.5103.5162.1-54.8-139156.300122
832G32.2Very low35.3Very low70 Ų70146 Ų14672%0.72278%0.775SS**  85.852.2111.500000119.7
833H28.2Very low37.8Very low188 Ų188140.2 Ų140.287%0.8775%0.747SS**  trans-137.5129.9155.8-81.7-51.9000112.2E835H833-E835 PolarHBondContact O-N 2.6Å
834A31.3Very low40.4Very low103 Ų103132 Ų13285%0.85171%0.709SS**  trans-61.3106.4176.900000110E836A834-E836 PolarHBondContact O-N 3.47Å
835E30.6Very low43.4Very low188 Ų188126.2 Ų126.288%0.87968%0.679SS**  trans-63.3116.3169-68.9-171.815200109.1H833H833-E835 PolarHBondContact O-N 2.6Å
836E32.2Very low46.2Very low178 Ų178118.1 Ų118.183%0.83264%0.635SS**  trans-57.9133.2163.6-73.4-177152.800109.1A834 K838A834-E836 PolarHBondContact O-N 3.47Å; E836-K838 PolarHBondContact O-N 3.27Å; E836-K838 VanDerWaalsContact O-N 3.08Å
837P34.9Very low49.2Very low119 Ų119111.4 Ų111.477%0.77360%0.601SS**  trans-68.8112.3-177.126-31.2000109.9T839P837-T839 PolarHBondContact O-N 3.5Å
838K31.9Very low51.8Low207 Ų207108.4 Ų108.490%0.958%0.577SS**  trans-53.6109.5170.1-73.8178.2180171.20109.2E836 Q840E836-K838 PolarHBondContact O-N 3.27Å; E836-K838 VanDerWaalsContact O-N 3.08Å; K838-Q840 PolarHBondContact O-N 2.92Å
839T36.5Very low54.6Low127 Ų127101.3 Ų101.378%0.77954%0.54SS*.PPolyproline II helixtrans-64.2127.4178.5-29.30000108.1P837P837-T839 PolarHBondContact O-N 3.5Å
840Q44.8Very low57.2Low173 Ų173100.6 Ų100.681%0.80854%0.535SS*.PPolyproline II helixtrans-59.7138172.9-73.2176.6-13.300109K838 L842K838-Q840 PolarHBondContact O-N 2.92Å; Q840-L842 PolarHBondContact O-N 2.87Å
841P52.8Low60.1Low94 Ų9493.5 Ų93.561%0.6150%0.497SS*.PPolyproline II helixtrans-61.8127.1179.224-31.7000109.9
842L74.9Confident63.1Low75 Ų7585.4 Ų85.439%0.39346%0.459SS..PPolyproline II helixtrans-73.4152.7174.4-86.4125.9000109.7D789 T790 Q840D789-L842 WeakPolarHBondContact OD1-CB 3.35Å; D789-L842 PolarHBondContact OD1-N 2.83Å; T790-L842 PolarHBondContact N-O 3.41Å; T790-L842 PolarHBondContact OG1-O 3.25Å; Q840-L842 PolarHBondContact O-N 2.87Å
843Y84.3Confident65.7Low38 Ų3884 Ų8415%0.14944%0.441CS..EExtended strand (participates in β ladder)trans-121.7144.4178.863.6-89.3000110.8T790 I792 F845 H869 W1238 P1239T790-Y843 CarbonylContact O-C 3.47Å; T790-Y843 VanDerWaalsContact O-CA 3.28Å; T790-Y843 WeakPolarHBondContact O-CA 3.15Å; T790-Y843 WeakPolarHBondContact OG1-CB 3.3Å; I792-Y843 HydrophobicContact CD1-CD2 4.28Å; I792-Y843 HydrophobicContact CD1-CG 4.38Å; Y843-F845 AromaticContact CD2-CE2 3.95Å; Y843-F845 HydrophobicContact CD2-CE2 3.95Å; Y843-F845 HydrophobicContact CD2-CZ 4.22Å; Y843-F845 AromaticContact CE2-CE2 3.68Å; Y843-F845 HydrophobicContact CE2-CE2 3.68Å; Y843-F845 HydrophobicContact CE2-CZ 4.13Å; Y843-H869 HydrophobicContact CE2-CB 4.05Å; Y843-H869 AromaticContact CE2-CG 3.87Å; Y843-W1238 AromaticContact CE2-NE1 3.79Å; Y843-W1238 AromaticContact CZ-CD1 3.93Å; Y843-W1238 AromaticContact CZ-NE1 3.71Å; Y843-W1238 PolarHBondContact OH-NE1 2.88Å; Y843-P1239 HydrophobicContact CD1-CB 3.95Å; Y843-P1239 HydrophobicContact CD1-CG 3.75Å; Y843-P1239 HydrophobicContact CD2-CB 3.99Å; Y843-P1239 HydrophobicContact CE1-CB 3.94Å; Y843-P1239 HydrophobicContact CE1-CG 3.83Å; Y843-P1239 HydrophobicContact CE2-CB 3.99Å; Y843-P1239 HydrophobicContact CG-CB 3.99Å; Y843-P1239 HydrophobicContact CG-CG 4.2Å
844H89.3Confident68.6Low28 Ų2876.3 Ų76.313%0.1341%0.405CS..EExtended strand (participates in β ladder)trans-125137.7179.2-65-101.3000109.5I785 D789 T790 V791 I792 T871I785-H844 HydrophobicContact CD1-CB 4.43Å; D789-H844 IonicContact OD2-NE2 3.84Å; D789-H844 PolarHBondContact OD2-NE2 2.83Å; T790-H844 PolarHBondContact O-N 2.94Å; V791-H844 CarbonylContact C-O 3.56Å; V791-H844 WeakPolarHBondContact CA-O 3.49Å; I792-H844 PolarHBondContact N-O 3.31Å; H844-T871 PolarHBondContact ND1-OG1 3.15Å
845F91.5Very high71.3Confident1 Ų171.4 Ų71.40%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-90.1142.1171.7-68.4-75000111.8I792 W809 Y843 L866 H869 G870 T871 V872 W1238 P1240I792-F845 HydrophobicContact CB-CD1 3.8Å; I792-F845 HydrophobicContact CB-CE1 3.85Å; I792-F845 HydrophobicContact CD1-CE1 4.14Å; I792-F845 HydrophobicContact CD1-CZ 4.46Å; I792-F845 HydrophobicContact CG2-CD1 4Å; I792-F845 HydrophobicContact CG2-CE1 3.78Å; I792-F845 CarbonylContact O-C 3Å; I792-F845 VanDerWaalsContact O-CA 3.28Å; I792-F845 WeakPolarHBondContact O-CA 3.24Å; W809-F845 HydrophobicContact CE3-CD1 4.37Å; W809-F845 AromaticContact CE3-CE1 3.87Å; W809-F845 HydrophobicContact CE3-CE1 3.87Å; W809-F845 HydrophobicContact CZ3-CD1 4Å; W809-F845 AromaticContact CZ3-CE1 3.61Å; W809-F845 HydrophobicContact CZ3-CE1 3.61Å; W809-F845 HydrophobicContact CZ3-CZ 4.44Å; Y843-F845 AromaticContact CD2-CE2 3.95Å; Y843-F845 HydrophobicContact CD2-CE2 3.95Å; Y843-F845 HydrophobicContact CD2-CZ 4.22Å; Y843-F845 AromaticContact CE2-CE2 3.68Å; Y843-F845 HydrophobicContact CE2-CE2 3.68Å; Y843-F845 HydrophobicContact CE2-CZ 4.13Å; F845-L866 HydrophobicContact CD1-CD2 3.9Å; F845-L866 HydrophobicContact CD2-CD2 4.01Å; F845-L866 HydrophobicContact CE1-CD2 3.98Å; F845-L866 HydrophobicContact CE2-CD2 4.1Å; F845-L866 HydrophobicContact CG-CD2 3.92Å; F845-L866 HydrophobicContact CZ-CD2 4.08Å; F845-H869 HydrophobicContact CD2-CB 3.66Å; F845-H869 HydrophobicContact CE2-CB 3.97Å; F845-H869 PolarHBondContact N-O 2.93Å; F845-G870 WeakPolarHBondContact O-CA 3.45Å; F845-T871 PolarHBondContact O-N 2.57Å; F845-V872 PolarHBondContact O-N 3.3Å; F845-W1238 HydrophobicContact CE2-CH2 4.12Å; F845-W1238 AromaticContact CE2-CZ2 3.39Å; F845-W1238 HydrophobicContact CE2-CZ2 3.39Å; F845-W1238 AromaticContact CZ-CH2 3.84Å; F845-W1238 HydrophobicContact CZ-CH2 3.84Å; F845-W1238 AromaticContact CZ-CZ2 3.45Å; F845-W1238 HydrophobicContact CZ-CZ2 3.45Å; F845-W1238 VanDerWaalsContact CZ-CZ2 3.45Å; F845-P1240 HydrophobicContact CE1-CG 4.21Å; F845-P1240 HydrophobicContact CZ-CG 4.33Å
846A92.1Very high73.9Confident0 Ų064.1 Ų64.10%034%0.337CS..EExtended strand (participates in β ladder)trans-124.8133169.300000109.4M772 V776 V791 I792 I793 A794 V872M772-A846 HydrophobicContact CE-CB 4.43Å; M772-A846 HydrophobicContact SD-CB 3.52Å; M772-A846 VanDerWaalsContact SD-CB 3.52Å; V776-A846 HydrophobicContact CG2-CB 4.05Å; V791-A846 HydrophobicContact CG1-CB 3.83Å; I792-A846 PolarHBondContact O-N 3.09Å; I793-A846 VanDerWaalsContact CA-O 3.29Å; I793-A846 WeakPolarHBondContact CA-O 3.46Å; I793-A846 HydrophobicContact CG1-CB 4.41Å; A794-A846 PolarHBondContact N-O 3.06Å; A846-V872 CarbonylContact C-O 3.49Å; A846-V872 VanDerWaalsContact CA-O 3.23Å; A846-V872 WeakPolarHBondContact CA-O 3.3Å; A846-V872 HydrophobicContact CB-CB 4.04Å
847M92.1Very high76.4Confident0 Ų061.1 Ų61.10%032%0.323CS..EExtended strand (participates in β ladder)trans-144.5141.8-176.165.2174.566.400113.5M772 A794 F852 L866 V872 F873 A874M772-M847 WeakPolarHBondContact CE-O 3.49Å; A794-M847 HydrophobicContact CB-CB 4.41Å; M847-F852 HydrophobicContact SD-CB 4.25Å; M847-F852 HydrophobicContact SD-CD2 3.77Å; M847-L866 HydrophobicContact CE-CB 3.73Å; M847-L866 HydrophobicContact CE-CD1 4.18Å; M847-L866 HydrophobicContact CE-CG 4.38Å; M847-V872 PolarHBondContact N-O 2.81Å; M847-F873 HydrophobicContact CE-CE1 4.02Å; M847-F873 HydrophobicContact CG-CD1 3.37Å; M847-F873 HydrophobicContact CG-CE1 3.58Å; M847-F873 HydrophobicContact CG-CG 4.25Å; M847-F873 WeakPolarHBondContact O-CA 3.1Å; M847-F873 HydrophobicContact SD-CD1 3.64Å; M847-F873 HydrophobicContact SD-CE1 3.31Å; M847-F873 WeakPolarHBondContact SD-CE1 3.34Å; M847-F873 HydrophobicContact SD-CZ 4.38Å; M847-A874 PolarHBondContact O-N 2.94Å
848N90.3Very high78.8Confident36 Ų3658 Ų5819%0.19330%0.298CS..EExtended strand (participates in β ladder)trans-86.2158.6-179.373.449.3000110.8M772 K850 S851 F852 A874M772-N848 HydrophobicContact CE-CB 4.03Å; M772-N848 VanDerWaalsContact CE-N 3.29Å; N848-K850 VanDerWaalsContact C-N 3.29Å; N848-K850 PolarHBondContact O-N 3.01Å; N848-K850 WeakPolarHBondContact OD1-CB 3.36Å; N848-K850 PolarHBondContact OD1-N 3.49Å; N848-S851 PolarHBondContact ND2-OG 3.05Å; N848-S851 PolarHBondContact O-N 2.96Å; N848-S851 WeakPolarHBondContact OD1-CB 3.41Å; N848-S851 PolarHBondContact OD1-N 3.43Å; N848-S851 PolarHBondContact OD1-OG 3.49Å; N848-F852 PolarHBondContact O-N 3.19Å; N848-A874 CarbonylContact C-O 3.39Å; N848-A874 VanDerWaalsContact CA-O 3.26Å; N848-A874 WeakPolarHBondContact CA-O 3.39Å
849G86.5Confident81.3Confident1 Ų148.9 Ų48.91%0.0126%0.258CS..Hα-helixtrans-59.5-32-179.300000115.1A853 A874 M876 Q880G849-A853 PolarHBondContact O-N 3.22Å; G849-A853 VanDerWaalsContact O-N 3.13Å; G849-A874 PolarHBondContact N-O 3.35Å; G849-M876 VanDerWaalsContact CA-SD 3.59Å; G849-Q880 PolarHBondContact O-NE2 3.16Å
850K87.1Confident83.3Confident166 Ų16646.2 Ų46.272%0.72224%0.243SC*.Hα-helixtrans-68.4-46.6177.3-67-175.9177.5-176.50111.2N848 F852 A853 I854N848-K850 VanDerWaalsContact C-N 3.29Å; N848-K850 PolarHBondContact O-N 3.01Å; N848-K850 WeakPolarHBondContact OD1-CB 3.36Å; N848-K850 PolarHBondContact OD1-N 3.49Å; K850-F852 VanDerWaalsContact C-N 3.34Å; K850-A853 PolarHBondContact O-N 2.84Å; K850-I854 WeakPolarHBondContact O-CG1 3.27Å; K850-I854 PolarHBondContact O-N 3.09Å; K850-I854 VanDerWaalsContact O-N 3.15Å
851S89.8Confident85Confident1 Ų143.5 Ų43.51%0.00723%0.234CC..Hα-helixtrans-65.6-39177.1-55.70000111.1D795 A796 N848 A853 I854 I855D795-S851 PolarHBondContact OD1-OG 2.87Å; A796-S851 PolarHBondContact N-OG 3.1Å; N848-S851 PolarHBondContact ND2-OG 3.05Å; N848-S851 PolarHBondContact O-N 2.96Å; N848-S851 WeakPolarHBondContact OD1-CB 3.41Å; N848-S851 PolarHBondContact OD1-N 3.43Å; N848-S851 PolarHBondContact OD1-OG 3.49Å; S851-A853 PolarHBondContact O-N 3.48Å; S851-I854 PolarHBondContact O-N 3.05Å; S851-I855 WeakPolarHBondContact O-CB 3.47Å; S851-I855 WeakPolarHBondContact O-CD1 3.38Å; S851-I855 WeakPolarHBondContact O-CG1 3.44Å; S851-I855 PolarHBondContact O-N 2.97Å
852F90.9Very high86.4Confident1 Ų140.9 Ų40.90%0.00421%0.214CC..Hα-helixtrans-56.6-47.1173.5178.7-94.7000111.9M847 N848 K850 I855 A856 L863 F873 M876 Q880 Q883 L884M847-F852 HydrophobicContact SD-CB 4.25Å; M847-F852 HydrophobicContact SD-CD2 3.77Å; N848-F852 PolarHBondContact O-N 3.19Å; K850-F852 VanDerWaalsContact C-N 3.34Å; F852-I855 PolarHBondContact O-N 3.39Å; F852-A856 VanDerWaalsContact O-CB 3.32Å; F852-A856 WeakPolarHBondContact O-CB 3.28Å; F852-A856 PolarHBondContact O-N 2.81Å; F852-L863 HydrophobicContact CD2-CD1 3.96Å; F852-L863 HydrophobicContact CE2-CD1 3.71Å; F852-L863 HydrophobicContact CZ-CD1 4.48Å; F852-F873 HydrophobicContact CD2-CD1 4.35Å; F852-F873 HydrophobicContact CD2-CE1 4.3Å; F852-F873 HydrophobicContact CE2-CE1 4.49Å; F852-M876 HydrophobicContact CB-SD 4.35Å; F852-M876 HydrophobicContact CD1-CE 4.06Å; F852-M876 HydrophobicContact CD2-CE 4.48Å; F852-M876 HydrophobicContact CE1-CE 4.31Å; F852-M876 HydrophobicContact CG-CE 4.16Å; F852-M876 HydrophobicContact CG-SD 4.45Å; F852-Q880 HydrophobicContact CD1-CB 4.47Å; F852-Q883 HydrophobicContact CE1-CB 4.2Å; F852-Q883 HydrophobicContact CZ-CB 4.47Å; F852-L884 HydrophobicContact CE2-CB 4.49Å; F852-L884 HydrophobicContact CE2-CD1 4.07Å; F852-L884 HydrophobicContact CZ-CB 4.23Å
853A87.4Confident86.9Confident41 Ų4138 Ų3834%0.33920%0.199SC..Hα-helixtrans-61.6-46.217800000112.4G849 K850 S851 I855 A856 E857G849-A853 PolarHBondContact O-N 3.22Å; G849-A853 VanDerWaalsContact O-N 3.13Å; K850-A853 PolarHBondContact O-N 2.84Å; S851-A853 PolarHBondContact O-N 3.48Å; A853-I855 PolarHBondContact O-N 3.45Å; A853-A856 PolarHBondContact O-N 2.95Å; A853-E857 PolarHBondContact O-N 3Å; A853-E857 VanDerWaalsContact O-N 3.1Å
854I88.6Confident86.8Confident25 Ų2538.1 Ų38.113%0.12820%0.201CC..Hα-helixtrans-62.5-44.1178.6-64.9161.5000110.7A796 P798 A805 K850 S851 E857 H858A796-I854 HydrophobicContact CB-CB 4.18Å; A796-I854 HydrophobicContact CB-CG2 4.04Å; A796-I854 WeakPolarHBondContact O-CD1 3.29Å; P798-I854 HydrophobicContact CB-CD1 4.29Å; A805-I854 HydrophobicContact CB-CG2 4.36Å; K850-I854 WeakPolarHBondContact O-CG1 3.27Å; K850-I854 PolarHBondContact O-N 3.09Å; K850-I854 VanDerWaalsContact O-N 3.15Å; S851-I854 PolarHBondContact O-N 3.05Å; I854-E857 PolarHBondContact O-N 3.43Å; I854-H858 WeakPolarHBondContact O-CB 3.19Å; I854-H858 PolarHBondContact O-N 3.17Å; I854-H858 PolarHBondContact O-ND1 3.16Å
855I87.9Confident86.5Confident0 Ų038.2 Ų38.20%020%0.201CC..Hα-helixtrans-65.2-41.7178.9-67.8166.4000110.6A796 I807 S851 F852 A853 E857 F859 L863 L866A796-I855 HydrophobicContact CB-CD1 4.06Å; A796-I855 HydrophobicContact CB-CG1 3.78Å; I807-I855 HydrophobicContact CD1-CD1 4.24Å; I807-I855 HydrophobicContact CD1-CG1 3.92Å; I807-I855 HydrophobicContact CG1-CG1 4.25Å; S851-I855 WeakPolarHBondContact O-CB 3.47Å; S851-I855 WeakPolarHBondContact O-CD1 3.38Å; S851-I855 WeakPolarHBondContact O-CG1 3.44Å; S851-I855 PolarHBondContact O-N 2.97Å; F852-I855 PolarHBondContact O-N 3.39Å; A853-I855 PolarHBondContact O-N 3.45Å; I855-E857 VanDerWaalsContact C-N 3.31Å; I855-E857 PolarHBondContact O-N 3.1Å; I855-F859 HydrophobicContact CG2-CB 4.17Å; I855-F859 CarbonylContact O-C 3.5Å; I855-F859 WeakPolarHBondContact O-CA 3.34Å; I855-F859 WeakPolarHBondContact O-CB 3.37Å; I855-F859 PolarHBondContact O-N 3.46Å; I855-L863 HydrophobicContact CG2-CB 3.98Å; I855-L863 HydrophobicContact CG2-CD1 3.92Å; I855-L866 HydrophobicContact CD1-CD1 3.96Å; I855-L866 HydrophobicContact CG2-CD1 4.05Å
856A86.1Confident86.2Confident36 Ų3638.1 Ų38.130%0.29820%0.201SC..Hα-helixtrans-62.3-38.5178.300000112.6F852 A853 L863F852-A856 VanDerWaalsContact O-CB 3.32Å; F852-A856 WeakPolarHBondContact O-CB 3.28Å; F852-A856 PolarHBondContact O-N 2.81Å; A853-A856 PolarHBondContact O-N 2.95Å; A856-L863 HydrophobicContact CB-CD2 3.92Å
857E85.1Confident85.9Confident115 Ų11538.2 Ų38.254%0.53720%0.201SC..Hα-helixtrans-81.1-41.2-178.1-173.4-176.4179.600113.7A853 I854 I855 R1251A853-E857 PolarHBondContact O-N 3Å; A853-E857 VanDerWaalsContact O-N 3.1Å; I854-E857 PolarHBondContact O-N 3.43Å; I855-E857 VanDerWaalsContact C-N 3.31Å; I855-E857 PolarHBondContact O-N 3.1Å; E857-R1251 PolarHBondContact O-NH2 2.91Å
858H84.3Confident85.5Confident53 Ų5338.5 Ų38.525%0.24520%0.203CC..Hα-helixtrans-104.7-19-170.4-62.883.9000113.5A805 I854A805-H858 HydrophobicContact CB-CB 4.12Å; I854-H858 WeakPolarHBondContact O-CB 3.19Å; I854-H858 PolarHBondContact O-N 3.17Å; I854-H858 PolarHBondContact O-ND1 3.16Å
859F84.5Confident85.3Confident15 Ų1538.1 Ų38.17%0.06620%0.2CC..  trans-136.156.7-175.2-59.3-95.2000113.2A805 I807 I855 D861 M862 L863 A1248A805-F859 HydrophobicContact CB-CE2 3.79Å; A805-F859 HydrophobicContact CB-CZ 4.31Å; A805-F859 VanDerWaalsContact O-CZ 3.3Å; A805-F859 WeakPolarHBondContact O-CZ 3.4Å; I807-F859 HydrophobicContact CD1-CD1 4.14Å; I807-F859 HydrophobicContact CD1-CD2 4.07Å; I807-F859 HydrophobicContact CD1-CE1 4.17Å; I807-F859 HydrophobicContact CD1-CE2 4.12Å; I807-F859 HydrophobicContact CD1-CG 4.06Å; I807-F859 HydrophobicContact CD1-CZ 4.14Å; I807-F859 HydrophobicContact CG1-CD2 4.33Å; I807-F859 HydrophobicContact CG1-CE1 4.41Å; I807-F859 HydrophobicContact CG1-CE2 3.92Å; I807-F859 HydrophobicContact CG1-CZ 3.94Å; I855-F859 HydrophobicContact CG2-CB 4.17Å; I855-F859 CarbonylContact O-C 3.5Å; I855-F859 WeakPolarHBondContact O-CA 3.34Å; I855-F859 WeakPolarHBondContact O-CB 3.37Å; I855-F859 PolarHBondContact O-N 3.46Å; F859-D861 VanDerWaalsContact C-N 3.28Å; F859-D861 PolarHBondContact O-N 3.34Å; F859-M862 HydrophobicContact CB-CB 3.97Å; F859-M862 HydrophobicContact CB-CG 4.28Å; F859-M862 HydrophobicContact CD1-CG 4.31Å; F859-M862 PolarHBondContact O-N 3.19Å; F859-M862 VanDerWaalsContact O-N 3.07Å; F859-L863 PolarHBondContact O-N 3.23Å; F859-A1248 HydrophobicContact CD1-CB 4.33Å; F859-A1248 HydrophobicContact CE1-CB 3.67Å; F859-A1248 HydrophobicContact CE2-CB 3.97Å; F859-A1248 HydrophobicContact CZ-CB 3.48Å; F859-A1248 VanDerWaalsContact CZ-CB 3.48Å; F859-A1248 VanDerWaalsContact CZ-N 3.34Å
860P79.4Confident85.4Confident71 Ų7138.1 Ų38.146%0.46120%0.199SC..Hα-helixtrans-60.3-34.3-174.324.5-34.8000113.6L863P860-L863 PolarHBondContact O-N 3.16Å
861D79.9Confident85.7Confident116 Ų11630.5 Ų30.562%0.6217%0.167SC*.Hα-helixtrans-69.2-38.4177-62.9-29.6000112.1F859F859-D861 VanDerWaalsContact C-N 3.28Å; F859-D861 PolarHBondContact O-N 3.34Å
862M82.3Confident85.9Confident39 Ų3930.5 Ų30.519%0.19217%0.167CC..Hα-helixtrans-73.6-31.6177.3-66.2-70.5-68.900111.7W809 F859 Q864 K865 L866 W1238W809-M862 HydrophobicContact CH2-CE 4.45Å; W809-M862 HydrophobicContact CZ2-CE 4.2Å; F859-M862 HydrophobicContact CB-CB 3.97Å; F859-M862 HydrophobicContact CB-CG 4.28Å; F859-M862 HydrophobicContact CD1-CG 4.31Å; F859-M862 PolarHBondContact O-N 3.19Å; F859-M862 VanDerWaalsContact O-N 3.07Å; M862-Q864 VanDerWaalsContact C-N 3.27Å; M862-Q864 PolarHBondContact O-N 2.64Å; M862-K865 WeakPolarHBondContact O-CB 3.3Å; M862-K865 PolarHBondContact O-N 2.9Å; M862-K865 VanDerWaalsContact O-N 3.13Å; M862-K865 HydrophobicContact SD-CD 4.38Å; M862-L866 WeakPolarHBondContact O-CB 3.37Å; M862-L866 WeakPolarHBondContact O-CG 3.47Å; M862-L866 PolarHBondContact O-N 3.39Å; M862-W1238 HydrophobicContact CE-CH2 4.26Å; M862-W1238 HydrophobicContact CE-CZ3 3.79Å
863L85Confident86.1Confident14 Ų1430.4 Ų30.47%0.07317%0.167CC..Hα-helixtrans-55.5-46.3176.5-176.667000110.6F852 I855 A856 F859 P860 K865 L866 V867 T887F852-L863 HydrophobicContact CD2-CD1 3.96Å; F852-L863 HydrophobicContact CE2-CD1 3.71Å; F852-L863 HydrophobicContact CZ-CD1 4.48Å; I855-L863 HydrophobicContact CG2-CB 3.98Å; I855-L863 HydrophobicContact CG2-CD1 3.92Å; A856-L863 HydrophobicContact CB-CD2 3.92Å; F859-L863 PolarHBondContact O-N 3.23Å; P860-L863 PolarHBondContact O-N 3.16Å; L863-K865 VanDerWaalsContact C-N 3.32Å; L863-K865 PolarHBondContact O-N 3.22Å; L863-L866 PolarHBondContact O-N 3.08Å; L863-V867 HydrophobicContact CD1-CG2 4.05Å; L863-V867 HydrophobicContact CG-CG2 4.24Å; L863-V867 WeakPolarHBondContact O-CB 3.41Å; L863-V867 WeakPolarHBondContact O-CG2 3.26Å; L863-V867 PolarHBondContact O-N 3.43Å; L863-T887 HydrophobicContact CD2-CG2 3.86Å; L863-T887 HydrophobicContact CG-CG2 4.1Å
864Q82.7Confident86.2Confident41 Ų4128.5 Ų28.519%0.19215%0.15CC..Hα-helixtrans-63.5-37.7179-63.4-178.510.200112.3M862 L868 V891 R1224 L1228M862-Q864 VanDerWaalsContact C-N 3.27Å; M862-Q864 PolarHBondContact O-N 2.64Å; Q864-L868 PolarHBondContact O-N 3.33Å; Q864-V891 HydrophobicContact CB-CG2 4.29Å; Q864-V891 HydrophobicContact CG-CG2 4.24Å; Q864-R1224 VanDerWaalsContact NE2-NH2 3.17Å; Q864-R1224 VanDerWaalsContact OE1-NE 3.09Å; Q864-L1228 HydrophobicContact CB-CD1 4.1Å
865K82.6Confident86Confident30 Ų3031.6 Ų31.613%0.1316%0.161CC..Hα-helixtrans-67.5-43.5175.6-69.4-179.9174.2-164.10111.9M862 L863 L868 L1228 E1231 L1232 W1238M862-K865 WeakPolarHBondContact O-CB 3.3Å; M862-K865 PolarHBondContact O-N 2.9Å; M862-K865 VanDerWaalsContact O-N 3.13Å; M862-K865 HydrophobicContact SD-CD 4.38Å; L863-K865 VanDerWaalsContact C-N 3.32Å; L863-K865 PolarHBondContact O-N 3.22Å; K865-L868 VanDerWaalsContact O-CB 3.27Å; K865-L868 WeakPolarHBondContact O-CB 3.44Å; K865-L868 PolarHBondContact O-N 3.1Å; K865-L1228 HydrophobicContact CG-CD2 4.37Å; K865-E1231 VanDerWaalsContact CE-OE1 3.3Å; K865-E1231 WeakPolarHBondContact CE-OE1 3.21Å; K865-E1231 IonicContact NZ-OE1 2.86Å; K865-E1231 PolarHBondContact NZ-OE1 2.72Å; K865-L1232 HydrophobicContact CB-CD1 4.17Å; K865-L1232 HydrophobicContact CB-CD2 4.13Å; K865-L1232 HydrophobicContact CD-CD2 3.77Å; K865-L1232 HydrophobicContact CG-CD1 4.37Å; K865-L1232 HydrophobicContact CG-CD2 3.95Å; K865-L1232 HydrophobicContact CG-CG 4.37Å; K865-W1238 HydrophobicContact CB-CH2 4.49Å
866L85.4Confident85.8Confident0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-69.3-42.2-179.6-74.3166.8000112.6W809 F845 M847 I855 M862 L863 L868 H869 G870 W1238W809-L866 HydrophobicContact CH2-CD1 4.13Å; W809-L866 HydrophobicContact CH2-CD2 3.53Å; W809-L866 HydrophobicContact CH2-CG 4.28Å; W809-L866 HydrophobicContact CZ3-CD2 3.52Å; F845-L866 HydrophobicContact CD1-CD2 3.9Å; F845-L866 HydrophobicContact CD2-CD2 4.01Å; F845-L866 HydrophobicContact CE1-CD2 3.98Å; F845-L866 HydrophobicContact CE2-CD2 4.1Å; F845-L866 HydrophobicContact CG-CD2 3.92Å; F845-L866 HydrophobicContact CZ-CD2 4.08Å; M847-L866 HydrophobicContact CE-CB 3.73Å; M847-L866 HydrophobicContact CE-CD1 4.18Å; M847-L866 HydrophobicContact CE-CG 4.38Å; I855-L866 HydrophobicContact CD1-CD1 3.96Å; I855-L866 HydrophobicContact CG2-CD1 4.05Å; M862-L866 WeakPolarHBondContact O-CB 3.37Å; M862-L866 WeakPolarHBondContact O-CG 3.47Å; M862-L866 PolarHBondContact O-N 3.39Å; L863-L866 PolarHBondContact O-N 3.08Å; L866-L868 PolarHBondContact O-N 3.3Å; L866-L868 VanDerWaalsContact O-N 3.14Å; L866-H869 PolarHBondContact O-N 3.48Å; L866-H869 VanDerWaalsContact O-N 3.17Å; L866-G870 WeakPolarHBondContact O-CA 3.34Å; L866-G870 PolarHBondContact O-N 3.1Å; L866-W1238 HydrophobicContact CD2-CH2 3.93Å; L866-W1238 HydrophobicContact CD2-CZ2 4.44Å; L866-W1238 HydrophobicContact CG-CH2 4.38Å
867V86.4Confident85.6Confident1 Ų132.5 Ų32.51%0.00617%0.166CC..Hα-helixtrans-63.7-18.3177.5171.10000111.7R763 L863 F873 L884 T887 L888R763-V867 VanDerWaalsContact CZ-O 3.3Å; R763-V867 PolarHBondContact NH1-O 2.81Å; R763-V867 PolarHBondContact NH2-O 3.47Å; L863-V867 HydrophobicContact CD1-CG2 4.05Å; L863-V867 HydrophobicContact CG-CG2 4.24Å; L863-V867 WeakPolarHBondContact O-CB 3.41Å; L863-V867 WeakPolarHBondContact O-CG2 3.26Å; L863-V867 PolarHBondContact O-N 3.43Å; V867-F873 HydrophobicContact CG2-CE1 4.47Å; V867-F873 HydrophobicContact CG2-CZ 4.37Å; V867-L884 HydrophobicContact CG1-CD1 4.39Å; V867-L884 HydrophobicContact CG2-CD1 4.19Å; V867-T887 HydrophobicContact CG1-CG2 4.48Å; V867-T887 HydrophobicContact CG2-CG2 4.13Å; V867-L888 HydrophobicContact CG1-CD2 3.24Å; V867-L888 HydrophobicContact CG1-CG 3.68Å
868L84.4Confident85.2Confident7 Ų730 Ų304%0.03716%0.16CC..Hα-helixtrans-69-35.7174.1-166.479.2000113.9R763 Q864 K865 L866 Y893 A1229 L1232R763-L868 PolarHBondContact NH1-O 3.2Å; R763-L868 VanDerWaalsContact NH2-C 3.3Å; R763-L868 PolarHBondContact NH2-O 2.71Å; R763-L868 VanDerWaalsContact NH2-O 3.07Å; Q864-L868 PolarHBondContact O-N 3.33Å; K865-L868 VanDerWaalsContact O-CB 3.27Å; K865-L868 WeakPolarHBondContact O-CB 3.44Å; K865-L868 PolarHBondContact O-N 3.1Å; L866-L868 PolarHBondContact O-N 3.3Å; L866-L868 VanDerWaalsContact O-N 3.14Å; L868-Y893 HydrophobicContact CD1-CE2 4.14Å; L868-Y893 WeakPolarHBondContact CD1-OH 3.38Å; L868-A1229 HydrophobicContact CD2-CB 3.75Å; L868-L1232 HydrophobicContact CD2-CD1 3.68Å
869H85Confident85Confident28 Ų2833.1 Ų33.113%0.1318%0.179CC..Hα-helixtrans-116.21.7179.1-72.8-86.7000113.3Y843 F845 L866 T871Y843-H869 HydrophobicContact CE2-CB 4.05Å; Y843-H869 AromaticContact CE2-CG 3.87Å; F845-H869 HydrophobicContact CD2-CB 3.66Å; F845-H869 HydrophobicContact CE2-CB 3.97Å; F845-H869 PolarHBondContact N-O 2.93Å; L866-H869 PolarHBondContact O-N 3.48Å; L866-H869 VanDerWaalsContact O-N 3.17Å; H869-T871 PolarHBondContact O-N 2.97Å; H869-T871 PolarHBondContact O-OG1 3.25Å
870G89.4Confident85.1Confident0 Ų034 Ų340%018%0.183CC..EExtended strand (participates in β ladder)trans-65.4118.2174.600000112.8R763 F845 L866R763-G870 PolarHBondContact NH2-O 3.48Å; F845-G870 WeakPolarHBondContact O-CA 3.45Å; L866-G870 WeakPolarHBondContact O-CA 3.34Å; L866-G870 PolarHBondContact O-N 3.1Å
871T92.8Very high85.5Confident6 Ų630.7 Ų30.74%0.03716%0.161CC..EExtended strand (participates in β ladder)trans-111.1-32.1-177.8-54.20000111.8M766 M784 I785 H844 F845 H869M766-T871 PolarHBondContact N-O 3.23Å; M784-T871 HydrophobicContact CG-CG2 3.79Å; M784-T871 HydrophobicContact SD-CG2 3.95Å; I785-T871 HydrophobicContact CD1-CG2 4.1Å; I785-T871 HydrophobicContact CG1-CG2 3.75Å; H844-T871 PolarHBondContact ND1-OG1 3.15Å; F845-T871 PolarHBondContact O-N 2.57Å; H869-T871 PolarHBondContact O-N 2.97Å; H869-T871 PolarHBondContact O-OG1 3.25Å
872V94.5Very high85.9Confident1 Ų126 Ų261%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-124.1118.8-178.8179.30000110M772 A775 V776 A779 I785 F845 A846 M847 A874M772-V872 HydrophobicContact SD-CG1 4.12Å; A775-V872 HydrophobicContact CB-CG1 3.58Å; V776-V872 HydrophobicContact CG2-CB 4.49Å; V776-V872 HydrophobicContact CG2-CG1 4.34Å; V776-V872 HydrophobicContact CG2-CG2 4.44Å; A779-V872 HydrophobicContact CB-CG2 3.79Å; I785-V872 HydrophobicContact CD1-CG2 3.92Å; F845-V872 PolarHBondContact O-N 3.3Å; A846-V872 CarbonylContact C-O 3.49Å; A846-V872 VanDerWaalsContact CA-O 3.23Å; A846-V872 WeakPolarHBondContact CA-O 3.3Å; A846-V872 HydrophobicContact CB-CB 4.04Å; M847-V872 PolarHBondContact N-O 2.81Å; V872-A874 HydrophobicContact CG1-CB 4.37Å
873F94.7Very high86.2Confident0 Ų028.4 Ų28.40%015%0.148CC..EExtended strand (participates in β ladder)trans-115.1107.5172.3-62.6-100.4000107.5I765 M766 V767 T768 M847 F852 V867 M876 L884I765-F873 HydrophobicContact CD1-CE2 4.38Å; I765-F873 HydrophobicContact CG2-CD2 3.53Å; I765-F873 HydrophobicContact CG2-CE2 3.63Å; M766-F873 PolarHBondContact O-N 2.85Å; V767-F873 CarbonylContact C-O 3.53Å; V767-F873 WeakPolarHBondContact CA-O 3.37Å; V767-F873 HydrophobicContact CG1-CB 4.37Å; T768-F873 PolarHBondContact N-O 3.31Å; M847-F873 HydrophobicContact CE-CE1 4.02Å; M847-F873 HydrophobicContact CG-CD1 3.37Å; M847-F873 HydrophobicContact CG-CE1 3.58Å; M847-F873 HydrophobicContact CG-CG 4.25Å; M847-F873 WeakPolarHBondContact O-CA 3.1Å; M847-F873 HydrophobicContact SD-CD1 3.64Å; M847-F873 HydrophobicContact SD-CE1 3.31Å; M847-F873 WeakPolarHBondContact SD-CE1 3.34Å; M847-F873 HydrophobicContact SD-CZ 4.38Å; F852-F873 HydrophobicContact CD2-CD1 4.35Å; F852-F873 HydrophobicContact CD2-CE1 4.3Å; F852-F873 HydrophobicContact CE2-CE1 4.49Å; V867-F873 HydrophobicContact CG2-CE1 4.47Å; V867-F873 HydrophobicContact CG2-CZ 4.37Å; F873-M876 HydrophobicContact CB-CE 4.39Å; F873-M876 HydrophobicContact CB-CG 3.86Å; F873-M876 HydrophobicContact CB-SD 4.17Å; F873-L884 HydrophobicContact CB-CD2 4.04Å; F873-L884 HydrophobicContact CD1-CD1 4.09Å; F873-L884 HydrophobicContact CD1-CD2 3.87Å; F873-L884 HydrophobicContact CD2-CD2 3.7Å; F873-L884 HydrophobicContact CE1-CD1 3.63Å; F873-L884 HydrophobicContact CE1-CD2 4.21Å; F873-L884 HydrophobicContact CE2-CD1 4.17Å; F873-L884 HydrophobicContact CE2-CD2 4.07Å; F873-L884 HydrophobicContact CG-CD2 3.6Å; F873-L884 HydrophobicContact CZ-CD1 3.69Å; F873-L884 HydrophobicContact CZ-CD2 4.32Å
874A89.6Confident86.5Confident0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-114.5161.7-170.800000111.6T768 D770 M772 A775 M847 N848 G849 V872 M876T768-A874 HydrophobicContact CG2-CB 4.2Å; T768-A874 CarbonylContact O-C 3.59Å; T768-A874 VanDerWaalsContact O-C 3.3Å; T768-A874 WeakPolarHBondContact O-CA 3.18Å; D770-A874 WeakPolarHBondContact O-CB 3.33Å; M772-A874 HydrophobicContact CB-CB 4.33Å; M772-A874 HydrophobicContact CE-CB 3.63Å; M772-A874 HydrophobicContact SD-CB 3.92Å; A775-A874 HydrophobicContact CB-CB 4.08Å; M847-A874 PolarHBondContact O-N 2.94Å; N848-A874 CarbonylContact C-O 3.39Å; N848-A874 VanDerWaalsContact CA-O 3.26Å; N848-A874 WeakPolarHBondContact CA-O 3.39Å; G849-A874 PolarHBondContact N-O 3.35Å; V872-A874 HydrophobicContact CG1-CB 4.37Å; A874-M876 PolarHBondContact O-N 3.01Å
875R85.2Confident87Confident91 Ų9126 Ų2634%0.34314%0.136SC..SBendtrans4839.6-171.9-61.4-170175.6179.90.6113.1E676 T768 G769 D770 N771E676-R875 IonicContact OE2-NH2 3Å; T768-R875 PolarHBondContact O-N 2.96Å; G769-R875 WeakPolarHBondContact O-CA 3.43Å; D770-R875 VanDerWaalsContact O-CG 3.23Å; D770-R875 WeakPolarHBondContact O-CG 3.48Å; D770-R875 PolarHBondContact O-N 2.91Å; N771-R875 PolarHBondContact ND2-NH2 3.44Å
876M83.6Confident87.2Confident9 Ų928 Ų284%0.04415%0.146CC..  trans-85.3131.2-179.9-66.1-70.3-79.600111.1V767 T768 G849 F852 F873 A874 Q880 K881 L884V767-M876 HydrophobicContact CG1-CB 4.31Å; V767-M876 HydrophobicContact CG1-CG 4.16Å; T768-M876 PolarHBondContact O-N 2.98Å; G849-M876 VanDerWaalsContact CA-SD 3.59Å; F852-M876 HydrophobicContact CB-SD 4.35Å; F852-M876 HydrophobicContact CD1-CE 4.06Å; F852-M876 HydrophobicContact CD2-CE 4.48Å; F852-M876 HydrophobicContact CE1-CE 4.31Å; F852-M876 HydrophobicContact CG-CE 4.16Å; F852-M876 HydrophobicContact CG-SD 4.45Å; F873-M876 HydrophobicContact CB-CE 4.39Å; F873-M876 HydrophobicContact CB-CG 3.86Å; F873-M876 HydrophobicContact CB-SD 4.17Å; A874-M876 PolarHBondContact O-N 3.01Å; M876-Q880 HydrophobicContact CE-CB 3.58Å; M876-Q880 WeakPolarHBondContact CE-O 3.31Å; M876-Q880 HydrophobicContact SD-CB 4.21Å; M876-K881 HydrophobicContact CB-CG 4.22Å; M876-L884 HydrophobicContact CE-CB 4.29Å; M876-L884 HydrophobicContact CE-CD2 4.36Å
877A80.3Confident87.4Confident45 Ų4529.6 Ų29.637%0.37216%0.156SC..  trans-74.4157168.800000111.3D879 Q880 K881A877-D879 VanDerWaalsContact C-N 3.3Å; A877-D879 PolarHBondContact O-N 2.97Å; A877-Q880 HydrophobicContact CB-CG 4.07Å; A877-Q880 WeakPolarHBondContact O-CA 3.22Å; A877-Q880 WeakPolarHBondContact O-CB 3.29Å; A877-Q880 PolarHBondContact O-N 2.98Å; A877-K881 PolarHBondContact O-N 3.25Å
878P78.2Confident87.6Confident63 Ų6329.5 Ų29.541%0.40916%0.155SC..Hα-helixtrans-50.9-44.2179.6-2935.9000114.3Q880 K881 T882 N903P878-Q880 VanDerWaalsContact C-N 3.31Å; P878-Q880 PolarHBondContact O-N 3.3Å; P878-K881 WeakPolarHBondContact O-CB 3.47Å; P878-K881 PolarHBondContact O-N 3.49Å; P878-T882 PolarHBondContact O-N 3.32Å; P878-T882 PolarHBondContact O-OG1 3.45Å; P878-N903 WeakPolarHBondContact CB-O 3.4Å; P878-N903 HydrophobicContact CG-CB 4.06Å
879D78.6Confident87.8Confident119 Ų11930.9 Ų30.964%0.63616%0.162SC*.Hα-helixtrans-65.5-36.5178.6-60.6-30.5000112A877 K881 T882 Q883A877-D879 VanDerWaalsContact C-N 3.3Å; A877-D879 PolarHBondContact O-N 2.97Å; D879-K881 VanDerWaalsContact C-N 3.31Å; D879-K881 PolarHBondContact O-N 2.91Å; D879-T882 WeakPolarHBondContact O-CB 3.21Å; D879-T882 PolarHBondContact O-N 2.86Å; D879-T882 VanDerWaalsContact O-N 3.16Å; D879-Q883 WeakPolarHBondContact O-CG 3.3Å; D879-Q883 PolarHBondContact O-N 3.43Å
880Q87Confident87.7Confident32 Ų3231.6 Ų31.615%0.1518%0.177CC..Hα-helixtrans-67.7-33.1176.7-58.7-179.1-40.600111.5G849 F852 M876 A877 P878 T882 Q883 L884G849-Q880 PolarHBondContact O-NE2 3.16Å; F852-Q880 HydrophobicContact CD1-CB 4.47Å; M876-Q880 HydrophobicContact CE-CB 3.58Å; M876-Q880 WeakPolarHBondContact CE-O 3.31Å; M876-Q880 HydrophobicContact SD-CB 4.21Å; A877-Q880 HydrophobicContact CB-CG 4.07Å; A877-Q880 WeakPolarHBondContact O-CA 3.22Å; A877-Q880 WeakPolarHBondContact O-CB 3.29Å; A877-Q880 PolarHBondContact O-N 2.98Å; P878-Q880 VanDerWaalsContact C-N 3.31Å; P878-Q880 PolarHBondContact O-N 3.3Å; Q880-T882 VanDerWaalsContact C-N 3.3Å; Q880-T882 PolarHBondContact O-N 2.88Å; Q880-Q883 PolarHBondContact O-N 3.13Å; Q880-L884 WeakPolarHBondContact O-CB 3.49Å; Q880-L884 PolarHBondContact O-N 2.95Å
881K88.4Confident87.5Confident3 Ų331.8 Ų31.81%0.01318%0.177CC..Hα-helixtrans-60.5-43.4171.8-59.8-170.3168.8-176.50110.4D517 V767 M876 A877 P878 D879 L884 V885 N903 D904 A907D517-K881 IonicContact OD1-NZ 2.76Å; D517-K881 PolarHBondContact OD1-NZ 2.78Å; V767-K881 HydrophobicContact CG1-CB 4.29Å; V767-K881 HydrophobicContact CG1-CD 4.26Å; V767-K881 HydrophobicContact CG1-CG 3.75Å; M876-K881 HydrophobicContact CB-CG 4.22Å; A877-K881 PolarHBondContact O-N 3.25Å; P878-K881 WeakPolarHBondContact O-CB 3.47Å; P878-K881 PolarHBondContact O-N 3.49Å; D879-K881 VanDerWaalsContact C-N 3.31Å; D879-K881 PolarHBondContact O-N 2.91Å; K881-L884 PolarHBondContact O-N 3.33Å; K881-V885 WeakPolarHBondContact O-CG2 3.49Å; K881-V885 PolarHBondContact O-N 2.93Å; K881-N903 PolarHBondContact NZ-ND2 2.92Å; K881-N903 VanDerWaalsContact NZ-ND2 3.12Å; K881-D904 WeakPolarHBondContact CD-OD1 3.33Å; K881-D904 WeakPolarHBondContact CE-OD1 3.43Å; K881-D904 IonicContact NZ-OD1 3.51Å; K881-D904 PolarHBondContact NZ-OD1 3.43Å; K881-A907 HydrophobicContact CB-CB 4.05Å
882T87.9Confident87.1Confident18 Ų1835.3 Ų35.311%0.1120%0.196CC..Hα-helixtrans-64-48.5176.8-53.70000111.4P878 D879 Q880 L884 V885 E886 G906 A907 R910P878-T882 PolarHBondContact O-N 3.32Å; P878-T882 PolarHBondContact O-OG1 3.45Å; D879-T882 WeakPolarHBondContact O-CB 3.21Å; D879-T882 PolarHBondContact O-N 2.86Å; D879-T882 VanDerWaalsContact O-N 3.16Å; Q880-T882 VanDerWaalsContact C-N 3.3Å; Q880-T882 PolarHBondContact O-N 2.88Å; T882-L884 VanDerWaalsContact C-N 3.3Å; T882-L884 PolarHBondContact O-N 3.23Å; T882-V885 PolarHBondContact O-N 3.39Å; T882-V885 VanDerWaalsContact O-N 3.13Å; T882-E886 PolarHBondContact O-N 3.26Å; T882-G906 VanDerWaalsContact OG1-C 3.29Å; T882-A907 PolarHBondContact OG1-N 3.23Å; T882-R910 HydrophobicContact CG2-CB 4.16Å; T882-R910 HydrophobicContact CG2-CG 4.32Å
883Q88.5Confident86.8Confident88 Ų8836 Ų3641%0.41120%0.199SC..Hα-helixtrans-59.4-37.5177.2-71.3175.5-2.400112.8F852 D879 Q880 E886 T887F852-Q883 HydrophobicContact CE1-CB 4.2Å; F852-Q883 HydrophobicContact CZ-CB 4.47Å; D879-Q883 WeakPolarHBondContact O-CG 3.3Å; D879-Q883 PolarHBondContact O-N 3.43Å; Q880-Q883 PolarHBondContact O-N 3.13Å; Q883-E886 PolarHBondContact O-N 3.28Å; Q883-T887 WeakPolarHBondContact O-CB 3.27Å; Q883-T887 PolarHBondContact O-N 3.47Å; Q883-T887 PolarHBondContact O-OG1 3.03Å
884L92.1Very high86.5Confident1 Ų138.4 Ų38.41%0.00521%0.209CC..Hα-helixtrans-63.8-44.5175.5176.261.5000111.4V767 F852 V867 F873 M876 Q880 K881 T882 E886 T887 L888V767-L884 HydrophobicContact CB-CD2 4.5Å; V767-L884 HydrophobicContact CG1-CD2 4.05Å; V767-L884 HydrophobicContact CG2-CD2 3.59Å; F852-L884 HydrophobicContact CE2-CB 4.49Å; F852-L884 HydrophobicContact CE2-CD1 4.07Å; F852-L884 HydrophobicContact CZ-CB 4.23Å; V867-L884 HydrophobicContact CG1-CD1 4.39Å; V867-L884 HydrophobicContact CG2-CD1 4.19Å; F873-L884 HydrophobicContact CB-CD2 4.04Å; F873-L884 HydrophobicContact CD1-CD1 4.09Å; F873-L884 HydrophobicContact CD1-CD2 3.87Å; F873-L884 HydrophobicContact CD2-CD2 3.7Å; F873-L884 HydrophobicContact CE1-CD1 3.63Å; F873-L884 HydrophobicContact CE1-CD2 4.21Å; F873-L884 HydrophobicContact CE2-CD1 4.17Å; F873-L884 HydrophobicContact CE2-CD2 4.07Å; F873-L884 HydrophobicContact CG-CD2 3.6Å; F873-L884 HydrophobicContact CZ-CD1 3.69Å; F873-L884 HydrophobicContact CZ-CD2 4.32Å; M876-L884 HydrophobicContact CE-CB 4.29Å; M876-L884 HydrophobicContact CE-CD2 4.36Å; Q880-L884 WeakPolarHBondContact O-CB 3.49Å; Q880-L884 PolarHBondContact O-N 2.95Å; K881-L884 PolarHBondContact O-N 3.33Å; T882-L884 VanDerWaalsContact C-N 3.3Å; T882-L884 PolarHBondContact O-N 3.23Å; L884-E886 VanDerWaalsContact C-N 3.34Å; L884-E886 PolarHBondContact O-N 2.95Å; L884-T887 PolarHBondContact O-N 3.39Å; L884-L888 HydrophobicContact CD1-CD1 4.18Å; L884-L888 HydrophobicContact CD1-CG 4.32Å; L884-L888 HydrophobicContact CG-CD1 4.03Å; L884-L888 WeakPolarHBondContact O-CB 3.49Å; L884-L888 WeakPolarHBondContact O-CD1 3.41Å; L884-L888 VanDerWaalsContact O-CG 3.29Å; L884-L888 WeakPolarHBondContact O-CG 3.3Å; L884-L888 PolarHBondContact O-N 3.07Å
885V91.4Very high86.7Confident3 Ų338.4 Ų38.42%0.01821%0.209CC..Hα-helixtrans-60.3-44.2175.8170.90000110.9K881 T882 L888 Q889 V895 A907 R910 A911K881-V885 WeakPolarHBondContact O-CG2 3.49Å; K881-V885 PolarHBondContact O-N 2.93Å; T882-V885 PolarHBondContact O-N 3.39Å; T882-V885 VanDerWaalsContact O-N 3.13Å; V885-L888 PolarHBondContact O-N 3.48Å; V885-Q889 VanDerWaalsContact O-CG 3.27Å; V885-Q889 WeakPolarHBondContact O-CG 3.43Å; V885-Q889 PolarHBondContact O-N 2.85Å; V885-V895 HydrophobicContact CG1-CB 4.47Å; V885-V895 HydrophobicContact CG1-CG1 4.08Å; V885-V895 HydrophobicContact CG2-CG1 4.37Å; V885-A907 HydrophobicContact CG2-CB 4.04Å; V885-R910 HydrophobicContact CG1-CB 4.39Å; V885-R910 HydrophobicContact CG1-CG 4.42Å; V885-A911 HydrophobicContact CG1-CB 4.15Å
886E88.3Confident87.1Confident74 Ų7434.1 Ų34.135%0.34619%0.194SC..Hα-helixtrans-64.6-41.5176.7-67.4-171.4135.600112.5T882 Q883 L884 L888 Q889 G890 R910T882-E886 PolarHBondContact O-N 3.26Å; Q883-E886 PolarHBondContact O-N 3.28Å; L884-E886 VanDerWaalsContact C-N 3.34Å; L884-E886 PolarHBondContact O-N 2.95Å; E886-L888 VanDerWaalsContact C-N 3.34Å; E886-L888 PolarHBondContact O-N 2.92Å; E886-Q889 WeakPolarHBondContact O-CB 3.46Å; E886-Q889 PolarHBondContact O-N 3.24Å; E886-G890 PolarHBondContact O-N 2.91Å; E886-R910 HydrophobicContact CG-CG 3.64Å; E886-R910 IonicContact OE1-CZ 3.87Å; E886-R910 IonicContact OE1-NE 3.37Å; E886-R910 PolarHBondContact OE1-NE 3.05Å; E886-R910 IonicContact OE1-NH2 2.74Å; E886-R910 PolarHBondContact OE1-NH2 2.86Å
887T89.4Confident87.6Confident32 Ų3233.9 Ų33.920%0.19619%0.193CC..Hα-helixtrans-61.7-45.3176.6-57.50000110.1L863 V867 Q883 L884 Q889 G890 V891L863-T887 HydrophobicContact CD2-CG2 3.86Å; L863-T887 HydrophobicContact CG-CG2 4.1Å; V867-T887 HydrophobicContact CG1-CG2 4.48Å; V867-T887 HydrophobicContact CG2-CG2 4.13Å; Q883-T887 WeakPolarHBondContact O-CB 3.27Å; Q883-T887 PolarHBondContact O-N 3.47Å; Q883-T887 PolarHBondContact O-OG1 3.03Å; L884-T887 PolarHBondContact O-N 3.39Å; T887-Q889 VanDerWaalsContact C-N 3.34Å; T887-Q889 PolarHBondContact O-N 3.07Å; T887-G890 PolarHBondContact O-N 2.95Å; T887-G890 VanDerWaalsContact O-N 3.16Å; T887-V891 WeakPolarHBondContact O-CG2 3.3Å; T887-V891 PolarHBondContact O-N 2.81Å
888L90.9Very high88.3Confident0 Ų031.7 Ų31.70%018%0.175CC..Hα-helixtrans-60.4-42.2175.5-74.6163.2000112.1L513 I765 V867 L884 V885 E886 G890 V891 Y893 V895L513-L888 HydrophobicContact CD1-CD2 3.7Å; L513-L888 HydrophobicContact CD2-CD1 3.92Å; L513-L888 HydrophobicContact CD2-CD2 4.41Å; I765-L888 HydrophobicContact CD1-CD1 4.17Å; I765-L888 HydrophobicContact CD1-CD2 4.06Å; V867-L888 HydrophobicContact CG1-CD2 3.24Å; V867-L888 HydrophobicContact CG1-CG 3.68Å; L884-L888 HydrophobicContact CD1-CD1 4.18Å; L884-L888 HydrophobicContact CD1-CG 4.32Å; L884-L888 HydrophobicContact CG-CD1 4.03Å; L884-L888 WeakPolarHBondContact O-CB 3.49Å; L884-L888 WeakPolarHBondContact O-CD1 3.41Å; L884-L888 VanDerWaalsContact O-CG 3.29Å; L884-L888 WeakPolarHBondContact O-CG 3.3Å; L884-L888 PolarHBondContact O-N 3.07Å; V885-L888 PolarHBondContact O-N 3.48Å; E886-L888 VanDerWaalsContact C-N 3.34Å; E886-L888 PolarHBondContact O-N 2.92Å; L888-G890 VanDerWaalsContact C-N 3.35Å; L888-V891 PolarHBondContact O-N 2.74Å; L888-Y893 HydrophobicContact CD2-CD2 4.39Å; L888-Y893 WeakPolarHBondContact O-CB 3.49Å; L888-Y893 PolarHBondContact O-N 3.14Å; L888-V895 HydrophobicContact CB-CG2 3.52Å
889Q87.9Confident88.8Confident36 Ų3628.7 Ų28.717%0.16816%0.155CC..Hα-helixtrans-62.4-40.5173.8-71.5173.4-26.200111.8V885 E886 T887 V891 D892 V895 R910V885-Q889 VanDerWaalsContact O-CG 3.27Å; V885-Q889 WeakPolarHBondContact O-CG 3.43Å; V885-Q889 PolarHBondContact O-N 2.85Å; E886-Q889 WeakPolarHBondContact O-CB 3.46Å; E886-Q889 PolarHBondContact O-N 3.24Å; T887-Q889 VanDerWaalsContact C-N 3.34Å; T887-Q889 PolarHBondContact O-N 3.07Å; Q889-V891 PolarHBondContact O-N 2.93Å; Q889-D892 WeakPolarHBondContact O-CA 3.5Å; Q889-D892 PolarHBondContact O-N 3.17Å; Q889-V895 HydrophobicContact CG-CB 4.36Å; Q889-V895 HydrophobicContact CG-CG2 3.92Å; Q889-R910 PolarHBondContact NE2-O 3.36Å
890G82.8Confident89Confident43 Ų4324.4 Ų24.444%0.44313%0.132SC..Hα-helixtrans-66.6-15.4177.800000114.8E886 T887 L888 D892E886-G890 PolarHBondContact O-N 2.91Å; T887-G890 PolarHBondContact O-N 2.95Å; T887-G890 VanDerWaalsContact O-N 3.16Å; L888-G890 VanDerWaalsContact C-N 3.35Å; G890-D892 VanDerWaalsContact C-N 3.34Å
891V84.8Confident88.1Confident3 Ų323.2 Ų23.22%0.01813%0.129CC..THydrogen-bonded Turntrans-9514.1170.2-165.90000111.4Q864 T887 L888 Q889 Y893 Y1225 L1228Q864-V891 HydrophobicContact CB-CG2 4.29Å; Q864-V891 HydrophobicContact CG-CG2 4.24Å; T887-V891 WeakPolarHBondContact O-CG2 3.3Å; T887-V891 PolarHBondContact O-N 2.81Å; L888-V891 PolarHBondContact O-N 2.74Å; Q889-V891 PolarHBondContact O-N 2.93Å; V891-Y893 HydrophobicContact CB-CD2 4.32Å; V891-Y893 HydrophobicContact CG1-CE2 4.42Å; V891-Y1225 WeakPolarHBondContact O-CB 2.95Å; V891-Y1225 VanDerWaalsContact O-CD1 3.28Å; V891-Y1225 WeakPolarHBondContact O-CD1 3.41Å; V891-Y1225 PolarHBondContact O-N 2.79Å; V891-Y1225 VanDerWaalsContact O-N 3.08Å; V891-L1228 HydrophobicContact CG1-CD1 3.64Å
892D85.2Confident87Confident81 Ų8124 Ų2443%0.43314%0.135SC..THydrogen-bonded Turntrans6825.5-178.6-59.2-46.5000115.8Q889 G890 A1223 R1224 Y1225Q889-D892 WeakPolarHBondContact O-CA 3.5Å; Q889-D892 PolarHBondContact O-N 3.17Å; G890-D892 VanDerWaalsContact C-N 3.34Å; D892-A1223 HydrophobicContact CB-CB 4.12Å; D892-R1224 WeakPolarHBondContact OD2-CB 3.46Å; D892-R1224 PolarHBondContact OD2-N 3.07Å; D892-Y1225 HydrophobicContact CB-CD1 4.16Å; D892-Y1225 HydrophobicContact CB-CE1 4.45Å; D892-Y1225 WeakPolarHBondContact O-CE1 3.42Å
893Y87.5Confident86.2Confident16 Ų1625.6 Ų25.66%0.06314%0.143CC..  trans-80140.2168.8-77.3-83.5000112.2N512 L513 L868 L888 V891 V895 Y1225N512-Y893 WeakPolarHBondContact ND2-CD1 3.42Å; L513-Y893 HydrophobicContact CB-CD1 3.9Å; L513-Y893 HydrophobicContact CB-CG 4.45Å; L513-Y893 HydrophobicContact CD1-CD1 3.78Å; L513-Y893 HydrophobicContact CD1-CD2 4.43Å; L513-Y893 HydrophobicContact CD1-CE1 4.06Å; L513-Y893 HydrophobicContact CD1-CG 4Å; L868-Y893 HydrophobicContact CD1-CE2 4.14Å; L868-Y893 WeakPolarHBondContact CD1-OH 3.38Å; L888-Y893 HydrophobicContact CD2-CD2 4.39Å; L888-Y893 WeakPolarHBondContact O-CB 3.49Å; L888-Y893 PolarHBondContact O-N 3.14Å; V891-Y893 HydrophobicContact CB-CD2 4.32Å; V891-Y893 HydrophobicContact CG1-CE2 4.42Å; Y893-V895 PolarHBondContact O-N 3.23Å; Y893-Y1225 HydrophobicContact CD2-CD1 4.42Å; Y893-Y1225 HydrophobicContact CD2-CG 4.31Å; Y893-Y1225 HydrophobicContact CE1-CD2 4.07Å; Y893-Y1225 HydrophobicContact CE1-CE2 4.37Å; Y893-Y1225 HydrophobicContact CE1-CG 4.2Å; Y893-Y1225 HydrophobicContact CE2-CD1 4.38Å; Y893-Y1225 HydrophobicContact CE2-CD2 4.32Å; Y893-Y1225 AromaticContact CE2-CG 3.82Å; Y893-Y1225 HydrophobicContact CE2-CG 3.82Å; Y893-Y1225 AromaticContact CZ-CD2 3.76Å; Y893-Y1225 AromaticContact CZ-CG 3.74Å
894F88.9Confident85.9Confident49 Ų4921.4 Ų21.422%0.21512%0.124CC..  trans-86.389.4165.9-73.4-81.6000108.9I507 Q510 I511 N512 L513I507-F894 HydrophobicContact CG2-CD1 4.38Å; Q510-F894 HydrophobicContact CB-CB 4.43Å; Q510-F894 HydrophobicContact CB-CD1 3.92Å; Q510-F894 HydrophobicContact CB-CD2 3.94Å; Q510-F894 HydrophobicContact CB-CE1 4.12Å; Q510-F894 HydrophobicContact CB-CE2 4.14Å; Q510-F894 HydrophobicContact CB-CG 3.83Å; Q510-F894 HydrophobicContact CB-CZ 4.22Å; Q510-F894 VanDerWaalsContact O-CB 3.31Å; Q510-F894 WeakPolarHBondContact O-CB 3.37Å; I511-F894 WeakPolarHBondContact CA-O 3.38Å; N512-F894 PolarHBondContact N-O 3.35Å; N512-F894 PolarHBondContact OD1-N 3.31Å; N512-F894 PolarHBondContact OD1-O 3.45Å; L513-F894 PolarHBondContact N-O 3.25Å
895V93.1Very high85.1Confident0 Ų022.4 Ų22.40%013%0.131CC..EExtended strand (participates in β ladder)trans-80.8123.5-174.8-171.80000112.5L513 V885 L888 Q889 Y893 H912 S913L513-V895 HydrophobicContact CD2-CG1 3.98Å; L513-V895 HydrophobicContact CD2-CG2 4.36Å; L513-V895 WeakPolarHBondContact O-CA 3.49Å; V885-V895 HydrophobicContact CG1-CB 4.47Å; V885-V895 HydrophobicContact CG1-CG1 4.08Å; V885-V895 HydrophobicContact CG2-CG1 4.37Å; L888-V895 HydrophobicContact CB-CG2 3.52Å; Q889-V895 HydrophobicContact CG-CB 4.36Å; Q889-V895 HydrophobicContact CG-CG2 3.92Å; Y893-V895 PolarHBondContact O-N 3.23Å; V895-H912 PolarHBondContact N-ND1 3.18Å; V895-H912 WeakPolarHBondContact O-CB 3.42Å; V895-H912 PolarHBondContact O-N 3.05Å; V895-S913 PolarHBondContact O-N 2.97Å
896G94.9Very high84.5Confident2 Ų223.5 Ų23.52%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-96.1149.415800000111.1L513 V514 C515 S913L513-G896 PolarHBondContact O-N 3.22Å; V514-G896 CarbonylContact C-O 3.5Å; V514-G896 WeakPolarHBondContact CA-O 3.49Å; C515-G896 PolarHBondContact N-O 2.98Å; G896-S913 CarbonylContact C-O 3.4Å; G896-S913 VanDerWaalsContact CA-O 3.23Å; G896-S913 WeakPolarHBondContact CA-O 3.33Å
897M94.4Very high84.3Confident3 Ų320 Ų202%0.01513%0.126CC..EExtended strand (participates in β ladder)trans-127.5133.3173177.264.4-173.100108.4C515 D904 A907 L908 A911 S913 G914 I915C515-M897 HydrophobicContact CB-SD 3.49Å; C515-M897 WeakPolarHBondContact CB-SD 3.26Å; C515-M897 CarbonylContact O-C 3.55Å; C515-M897 WeakPolarHBondContact O-CA 3.45Å; M897-D904 HydrophobicContact CE-CB 3.92Å; M897-D904 WeakPolarHBondContact CE-OD1 3.36Å; M897-A907 HydrophobicContact CE-CB 4.34Å; M897-A907 HydrophobicContact CG-CB 4.09Å; M897-A907 HydrophobicContact SD-CB 4.39Å; M897-L908 HydrophobicContact CB-CD2 4.1Å; M897-L908 HydrophobicContact CG-CD2 3.69Å; M897-L908 HydrophobicContact CG-CG 4.05Å; M897-L908 WeakPolarHBondContact O-CD2 3.44Å; M897-A911 HydrophobicContact CB-CB 3.66Å; M897-S913 PolarHBondContact N-O 3.21Å; M897-G914 CarbonylContact O-C 3.54Å; M897-G914 WeakPolarHBondContact O-CA 3.28Å; M897-I915 PolarHBondContact O-N 3.47Å
898C94.1Very high84.3Confident0 Ų018.4 Ų18.40%012%0.117CC..EExtended strand (participates in β ladder)trans-124.6124.4175-167.20000108.8C515 F516 D517 I915 V938C515-C898 PolarHBondContact O-N 3.43Å; F516-C898 HydrophobicContact CD1-CB 3.68Å; F516-C898 HydrophobicContact CE1-CB 3.82Å; D517-C898 PolarHBondContact N-O 3.21Å; C898-I915 WeakPolarHBondContact CA-O 3.32Å; C898-V938 HydrophobicContact CB-CG2 4.18Å
899G89.5Confident83.8Confident0 Ų021.2 Ų21.20%013%0.129CC..EExtended strand (participates in β ladder)trans-157.3163.5-175.900000111.1T521 D904 I915 S916 L917T521-G899 WeakPolarHBondContact OG1-CA 3.39Å; G899-D904 WeakPolarHBondContact CA-OD2 3.2Å; G899-I915 PolarHBondContact N-O 3.36Å; G899-I915 VanDerWaalsContact N-O 3.14Å; G899-S916 VanDerWaalsContact O-CA 3.32Å; G899-S916 WeakPolarHBondContact O-CA 3.45Å; G899-L917 PolarHBondContact O-N 3.07Å
900D81.3Confident83.6Confident28 Ų2823.5 Ų23.515%0.1514%0.136CC..SBendtrans-122-28.5-177.560.4-62.2000112.6G520 T521 L917G520-D900 VanDerWaalsContact C-CG 3.41Å; G520-D900 VanDerWaalsContact CA-OD2 3.28Å; G520-D900 WeakPolarHBondContact CA-OD2 3.4Å; T521-D900 PolarHBondContact N-OD1 3.48Å; T521-D900 PolarHBondContact OG1-N 2.84Å; T521-D900 PolarHBondContact OG1-OD1 3.1Å; D900-L917 HydrophobicContact CB-CB 4.17Å
901G68.7Low83.9Confident8 Ų821.5 Ų21.58%0.08212%0.115CC..SBendtrans-88.5161.2177.900000114N903 D904G901-N903 VanDerWaalsContact C-N 3.28Å; G901-N903 WeakPolarHBondContact CA-OD1 3.05Å; G901-N903 PolarHBondContact O-N 3.27Å; G901-N903 PolarHBondContact O-OD1 3.32Å; G901-D904 WeakPolarHBondContact O-CB 3.25Å; G901-D904 PolarHBondContact O-N 3.33Å
902A64.6Low84Confident18 Ų1823.1 Ų23.115%0.14912%0.123CC..G310 helixtrans-80.2-8.5173.500000114L341 T342 D904 C905L341-A902 VanDerWaalsContact O-CB 3.25Å; L341-A902 WeakPolarHBondContact O-CB 3.29Å; T342-A902 VanDerWaalsContact CA-CB 3.47Å; T342-A902 WeakPolarHBondContact O-CA 3.06Å; T342-A902 WeakPolarHBondContact O-CB 3.43Å; T342-A902 PolarHBondContact O-N 3.46Å; A902-D904 PolarHBondContact O-N 3.01Å; A902-D904 VanDerWaalsContact O-N 3.14Å; A902-C905 HydrophobicContact CB-CB 4.21Å; A902-C905 WeakPolarHBondContact O-CB 3.15Å; A902-C905 PolarHBondContact O-N 3.2Å
903N73Confident84.3Confident52 Ų5219.3 Ų19.328%0.27810%0.102SC..G310 helixtrans-56-21.5161.564.3-23000111.9P878 K881 G901P878-N903 WeakPolarHBondContact CB-O 3.4Å; P878-N903 HydrophobicContact CG-CB 4.06Å; K881-N903 PolarHBondContact NZ-ND2 2.92Å; K881-N903 VanDerWaalsContact NZ-ND2 3.12Å; G901-N903 VanDerWaalsContact C-N 3.28Å; G901-N903 WeakPolarHBondContact CA-OD1 3.05Å; G901-N903 PolarHBondContact O-N 3.27Å; G901-N903 PolarHBondContact O-OD1 3.32Å
904D80.6Confident84.5Confident0 Ų018.5 Ų18.50%010%0.099CC..G310 helixtrans-94.5-6.5175.4-60.4-42.4000113.9D517 K881 M897 G899 G901 A902 G906 A907 L908D517-D904 WeakPolarHBondContact CB-OD2 3.28Å; K881-D904 WeakPolarHBondContact CD-OD1 3.33Å; K881-D904 WeakPolarHBondContact CE-OD1 3.43Å; K881-D904 IonicContact NZ-OD1 3.51Å; K881-D904 PolarHBondContact NZ-OD1 3.43Å; M897-D904 HydrophobicContact CE-CB 3.92Å; M897-D904 WeakPolarHBondContact CE-OD1 3.36Å; G899-D904 WeakPolarHBondContact CA-OD2 3.2Å; G901-D904 WeakPolarHBondContact O-CB 3.25Å; G901-D904 PolarHBondContact O-N 3.33Å; A902-D904 PolarHBondContact O-N 3.01Å; A902-D904 VanDerWaalsContact O-N 3.14Å; D904-G906 VanDerWaalsContact C-N 3.34Å; D904-G906 PolarHBondContact O-N 2.83Å; D904-A907 PolarHBondContact O-N 3.32Å; D904-L908 HydrophobicContact CB-CD1 3.9Å; D904-L908 HydrophobicContact CB-CG 4.06Å; D904-L908 WeakPolarHBondContact O-CB 3.31Å; D904-L908 VanDerWaalsContact O-CG 3.29Å; D904-L908 WeakPolarHBondContact O-CG 3.31Å; D904-L908 PolarHBondContact O-N 3.3Å
905C76.3Confident84.6Confident22 Ų2216.5 Ų16.515%0.1499%0.091CC..Hα-helixtrans-52.9-47.7-172.7179.40000112.7A902 L908 K909 A925A902-C905 HydrophobicContact CB-CB 4.21Å; A902-C905 WeakPolarHBondContact O-CB 3.15Å; A902-C905 PolarHBondContact O-N 3.2Å; C905-L908 PolarHBondContact O-N 2.91Å; C905-K909 VanDerWaalsContact O-CB 3.28Å; C905-K909 WeakPolarHBondContact O-CB 3.18Å; C905-K909 PolarHBondContact O-N 3.08Å; C905-A925 WeakPolarHBondContact SG-CB 3.42Å
906G77.6Confident84.5Confident26 Ų2616.5 Ų16.527%0.2689%0.091SC..Hα-helixtrans-61.6-46.617700000112.7T882 D904 K909 R910T882-G906 VanDerWaalsContact OG1-C 3.29Å; D904-G906 VanDerWaalsContact C-N 3.34Å; D904-G906 PolarHBondContact O-N 2.83Å; G906-K909 PolarHBondContact O-N 2.83Å; G906-R910 VanDerWaalsContact O-CB 3.32Å; G906-R910 WeakPolarHBondContact O-CB 3.22Å; G906-R910 PolarHBondContact O-N 3.13Å
907A86.1Confident84.1Confident0 Ų016.8 Ų16.80%09%0.091CC..Hα-helixtrans-66-42.3178.900000112.4K881 T882 V885 M897 D904 R910 A911K881-A907 HydrophobicContact CB-CB 4.05Å; T882-A907 PolarHBondContact OG1-N 3.23Å; V885-A907 HydrophobicContact CG2-CB 4.04Å; M897-A907 HydrophobicContact CE-CB 4.34Å; M897-A907 HydrophobicContact CG-CB 4.09Å; M897-A907 HydrophobicContact SD-CB 4.39Å; D904-A907 PolarHBondContact O-N 3.32Å; A907-R910 PolarHBondContact O-N 3.3Å; A907-A911 VanDerWaalsContact O-CB 3.32Å; A907-A911 WeakPolarHBondContact O-CB 3.41Å; A907-A911 PolarHBondContact O-N 2.9Å
908L87.6Confident83Confident0 Ų017.8 Ų17.80%010%0.099CC..Hα-helixtrans-61.5-44.3176.1-73.4170.1000111.6M897 D904 C905 G914 I915M897-L908 HydrophobicContact CB-CD2 4.1Å; M897-L908 HydrophobicContact CG-CD2 3.69Å; M897-L908 HydrophobicContact CG-CG 4.05Å; M897-L908 WeakPolarHBondContact O-CD2 3.44Å; D904-L908 HydrophobicContact CB-CD1 3.9Å; D904-L908 HydrophobicContact CB-CG 4.06Å; D904-L908 WeakPolarHBondContact O-CB 3.31Å; D904-L908 VanDerWaalsContact O-CG 3.29Å; D904-L908 WeakPolarHBondContact O-CG 3.31Å; D904-L908 PolarHBondContact O-N 3.3Å; C905-L908 PolarHBondContact O-N 2.91Å; L908-G914 VanDerWaalsContact O-CA 3.28Å; L908-G914 WeakPolarHBondContact O-CA 3.29Å; L908-I915 VanDerWaalsContact CD2-O 3.22Å; L908-I915 WeakPolarHBondContact CD2-O 3.43Å
909K80.7Confident81.5Confident59 Ų5923.8 Ų23.826%0.25713%0.127SC..Hα-helixtrans-63.7-43.4177.1177.9-175.3166.8-158.20111.5E14 S414 C905 G906E14-K909 IonicContact OE2-NZ 2.69Å; E14-K909 PolarHBondContact OE2-NZ 3.41Å; S414-K909 WeakPolarHBondContact OG-CE 3.4Å; S414-K909 PolarHBondContact OG-NZ 2.77Å; C905-K909 VanDerWaalsContact O-CB 3.28Å; C905-K909 WeakPolarHBondContact O-CB 3.18Å; C905-K909 PolarHBondContact O-N 3.08Å; G906-K909 PolarHBondContact O-N 2.83Å
910R83.6Confident79.8Confident83 Ų8326.9 Ų26.931%0.31314%0.143SC..Hα-helixtrans-77.2-30.9-174.9-165.853162.2149.7-0.4113.7T882 V885 E886 Q889 G906 A907T882-R910 HydrophobicContact CG2-CB 4.16Å; T882-R910 HydrophobicContact CG2-CG 4.32Å; V885-R910 HydrophobicContact CG1-CB 4.39Å; V885-R910 HydrophobicContact CG1-CG 4.42Å; E886-R910 HydrophobicContact CG-CG 3.64Å; E886-R910 IonicContact OE1-CZ 3.87Å; E886-R910 IonicContact OE1-NE 3.37Å; E886-R910 PolarHBondContact OE1-NE 3.05Å; E886-R910 IonicContact OE1-NH2 2.74Å; E886-R910 PolarHBondContact OE1-NH2 2.86Å; Q889-R910 PolarHBondContact NE2-O 3.36Å; G906-R910 VanDerWaalsContact O-CB 3.32Å; G906-R910 WeakPolarHBondContact O-CB 3.22Å; G906-R910 PolarHBondContact O-N 3.13Å; A907-R910 PolarHBondContact O-N 3.3Å
911A89Confident78.3Confident1 Ų128 Ų281%0.00815%0.148CC..SBendtrans-58150.317600000111.8R504 V885 M897 A907 S913R504-A911 PolarHBondContact NH1-O 2.87Å; V885-A911 HydrophobicContact CG1-CB 4.15Å; M897-A911 HydrophobicContact CB-CB 3.66Å; A907-A911 VanDerWaalsContact O-CB 3.32Å; A907-A911 WeakPolarHBondContact O-CB 3.41Å; A907-A911 PolarHBondContact O-N 2.9Å; A911-S913 PolarHBondContact O-N 3.35Å
912H88.3Confident77.4Confident38 Ų3827.8 Ų27.818%0.17614%0.144CC..THydrogen-bonded Turntrans-60.9-34.5173.6-69110.6000111I507 V895I507-H912 HydrophobicContact CG2-CB 3.82Å; V895-H912 PolarHBondContact N-ND1 3.18Å; V895-H912 WeakPolarHBondContact O-CB 3.42Å; V895-H912 PolarHBondContact O-N 3.05Å
913S90.5Very high77Confident0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-136.494.9172.6178.90000110.3C508 V895 G896 M897 A911C508-S913 PolarHBondContact SG-OG 3.32Å; C508-S913 VanDerWaalsContact SG-OG 3.39Å; V895-S913 PolarHBondContact O-N 2.97Å; G896-S913 CarbonylContact C-O 3.4Å; G896-S913 VanDerWaalsContact CA-O 3.23Å; G896-S913 WeakPolarHBondContact CA-O 3.33Å; M897-S913 PolarHBondContact N-O 3.21Å; A911-S913 PolarHBondContact O-N 3.35Å
914G91.6Very high76.3Confident0 Ų026.2 Ų26.20%014%0.136CC..EExtended strand (participates in β ladder)trans-80.9135165.100000111.1M897 L908 S926 P927 F928M897-G914 CarbonylContact O-C 3.54Å; M897-G914 WeakPolarHBondContact O-CA 3.28Å; L908-G914 VanDerWaalsContact O-CA 3.28Å; L908-G914 WeakPolarHBondContact O-CA 3.29Å; G914-S926 PolarHBondContact O-OG 3.13Å; G914-P927 WeakPolarHBondContact O-CD 3.44Å; G914-P927 WeakPolarHBondContact O-CG 3.44Å; G914-F928 WeakPolarHBondContact O-CB 3.32Å; G914-F928 WeakPolarHBondContact O-CD2 3.44Å; G914-F928 PolarHBondContact O-N 2.8Å
915I91.9Very high75.4Confident7 Ų726.8 Ų26.84%0.03614%0.14CC..EExtended strand (participates in β ladder)trans-125.2117.6176.5-51.5171.5000107.8M897 C898 G899 L908 S926 F928 V938 L941M897-I915 PolarHBondContact O-N 3.47Å; C898-I915 WeakPolarHBondContact CA-O 3.32Å; G899-I915 PolarHBondContact N-O 3.36Å; G899-I915 VanDerWaalsContact N-O 3.14Å; L908-I915 VanDerWaalsContact CD2-O 3.22Å; L908-I915 WeakPolarHBondContact CD2-O 3.43Å; I915-S926 PolarHBondContact N-OG 3.36Å; I915-F928 WeakPolarHBondContact CA-O 3.5Å; I915-F928 HydrophobicContact CG1-CB 4.41Å; I915-V938 HydrophobicContact CD1-CB 4.28Å; I915-V938 HydrophobicContact CD1-CG1 4.46Å; I915-V938 HydrophobicContact CD1-CG2 3.7Å; I915-L941 HydrophobicContact CD1-CD2 3.6Å; I915-L941 HydrophobicContact CG1-CD2 3.78Å
916S89.6Confident75.5Confident0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-94.8132.1172.2-178.40000110G899 S918 S926 F928 T929 S930G899-S916 VanDerWaalsContact O-CA 3.32Å; G899-S916 WeakPolarHBondContact O-CA 3.45Å; S916-S918 PolarHBondContact OG-O 3.31Å; S916-S926 PolarHBondContact N-OG 3.47Å; S916-F928 PolarHBondContact N-O 2.95Å; S916-T929 WeakPolarHBondContact O-CA 3.42Å; S916-S930 PolarHBondContact O-N 3.24Å
917L86.8Confident75.7Confident7 Ų724.9 Ų24.94%0.03712%0.123CC..  trans-91.6-2.6177-61.4-177.8000113.9T521 G899 D900 N934 I935 C937T521-L917 HydrophobicContact CG2-CD1 3.97Å; G899-L917 PolarHBondContact O-N 3.07Å; D900-L917 HydrophobicContact CB-CB 4.17Å; L917-N934 VanDerWaalsContact CD2-O 3.26Å; L917-N934 WeakPolarHBondContact CD2-O 3.41Å; L917-I935 HydrophobicContact CD1-CG2 4.22Å; L917-C937 VanDerWaalsContact CD2-SG 3.53Å
918S72.9Confident75.9Confident25 Ų2524.9 Ų24.918%0.17512%0.123CC..SBendtrans-108.8142.5-179-1770000110.9S916 L920 T929S916-S918 PolarHBondContact OG-O 3.31Å; S918-L920 PolarHBondContact O-N 3.07Å; S918-L920 WeakPolarHBondContact OG-CB 3.41Å; S918-L920 WeakPolarHBondContact OG-CG 3.38Å; S918-L920 PolarHBondContact OG-N 3.26Å; S918-T929 WeakPolarHBondContact O-CG2 3.26Å
919E61.4Low75.9Confident126 Ų12625.6 Ų25.659%0.58913%0.127SC*.SBendtrans-74.4-11.9170.5-67.6-170.3168.100111.9R931E919-R931 WeakPolarHBondContact OE1-CD 3.14Å; E919-R931 VanDerWaalsContact OE1-CG 3.25Å; E919-R931 WeakPolarHBondContact OE1-CG 3.31Å; E919-R931 IonicContact OE1-NE 3.42Å; E919-R931 PolarHBondContact OE1-NE 3.49Å
920L54.9Low76.3Confident64 Ų6422.8 Ų22.834%0.33512%0.115SC..SBendtrans-69.4175175.5-59.9171.1000111.4G343 S918 A922 S923G343-L920 WeakPolarHBondContact O-CD1 3.39Å; S918-L920 PolarHBondContact O-N 3.07Å; S918-L920 WeakPolarHBondContact OG-CB 3.41Å; S918-L920 WeakPolarHBondContact OG-CG 3.38Å; S918-L920 PolarHBondContact OG-N 3.26Å; L920-A922 PolarHBondContact O-N 3.13Å; L920-S923 WeakPolarHBondContact O-CB 3.39Å; L920-S923 PolarHBondContact O-N 3.2Å; L920-S923 PolarHBondContact O-OG 2.94Å
921E49.4Very low76.5Confident53 Ų5326.5 Ų26.525%0.24813%0.129CC..THydrogen-bonded Turntrans-66.9-7.1-166.2-60.1-153.3169.700117M340 S923 V924M340-E921 WeakPolarHBondContact CE-OE1 3.42Å; M340-E921 VanDerWaalsContact CE-OE2 3.22Å; M340-E921 WeakPolarHBondContact CE-OE2 3.41Å; M340-E921 HydrophobicContact CG-CG 4.09Å; M340-E921 WeakPolarHBondContact CG-OE1 3.27Å; M340-E921 WeakPolarHBondContact CG-OE2 3.48Å; M340-E921 WeakPolarHBondContact O-CB 3.22Å; E921-S923 PolarHBondContact O-N 3.47Å; E921-S923 VanDerWaalsContact O-N 3.07Å; E921-V924 HydrophobicContact CB-CB 4.45Å; E921-V924 HydrophobicContact CB-CG2 3.96Å; E921-V924 HydrophobicContact CG-CG2 4.19Å; E921-V924 WeakPolarHBondContact O-CA 3.39Å; E921-V924 WeakPolarHBondContact O-CB 3.26Å; E921-V924 PolarHBondContact O-N 3.21Å
922A49.5Very low76.4Confident2 Ų229.1 Ų29.12%0.01715%0.145CC..Hα-helixtrans-53.3-26.4161.800000111.6L920 V924 S926L920-A922 PolarHBondContact O-N 3.13Å; A922-V924 VanDerWaalsContact C-N 3.31Å; A922-V924 PolarHBondContact O-N 3.07Å; A922-S926 PolarHBondContact O-N 3.16Å
923S55.8Low76.2Confident20 Ų2031 Ų3114%0.1416%0.161CC..Hα-helixtrans-61.5-30.6168.464.60000114.6L920 E921 A925 S926 T929L920-S923 WeakPolarHBondContact O-CB 3.39Å; L920-S923 PolarHBondContact O-N 3.2Å; L920-S923 PolarHBondContact O-OG 2.94Å; E921-S923 PolarHBondContact O-N 3.47Å; E921-S923 VanDerWaalsContact O-N 3.07Å; S923-A925 VanDerWaalsContact C-N 3.34Å; S923-S926 PolarHBondContact O-N 2.95Å; S923-S926 VanDerWaalsContact O-O 3.13Å; S923-T929 VanDerWaalsContact CB-CG2 3.44Å; S923-T929 WeakPolarHBondContact CB-OG1 3.47Å
924V59.2Low76.1Confident18 Ų1832.2 Ų32.211%0.10917%0.167CC..Hα-helixtrans-70.2-34.3-176.6176.50000110.4M282 I415 E921 A922M282-V924 HydrophobicContact CE-CB 4.38Å; M282-V924 HydrophobicContact CE-CG1 3.53Å; M282-V924 HydrophobicContact CE-CG2 3.91Å; M282-V924 HydrophobicContact SD-CG2 4Å; I415-V924 HydrophobicContact CD1-CB 4.38Å; I415-V924 HydrophobicContact CD1-CG1 3.25Å; I415-V924 WeakPolarHBondContact CD1-O 3.29Å; E921-V924 HydrophobicContact CB-CB 4.45Å; E921-V924 HydrophobicContact CB-CG2 3.96Å; E921-V924 HydrophobicContact CG-CG2 4.19Å; E921-V924 WeakPolarHBondContact O-CA 3.39Å; E921-V924 WeakPolarHBondContact O-CB 3.26Å; E921-V924 PolarHBondContact O-N 3.21Å; A922-V924 VanDerWaalsContact C-N 3.31Å; A922-V924 PolarHBondContact O-N 3.07Å
925A61.5Low76.2Confident11 Ų1132.2 Ų32.29%0.09117%0.167CC..Hα-helixtrans-84.3-29.4176.300000113.8L411 C905 S923L411-A925 HydrophobicContact CD2-CB 3.98Å; C905-A925 WeakPolarHBondContact SG-CB 3.42Å; S923-A925 VanDerWaalsContact C-N 3.34Å
926S78.8Confident76.3Confident1 Ų133.8 Ų33.81%0.00718%0.179CC..SBendtrans-82.6136.5-175.4-178.20000112.2G914 I915 S916 A922 S923 F928G914-S926 PolarHBondContact O-OG 3.13Å; I915-S926 PolarHBondContact N-OG 3.36Å; S916-S926 PolarHBondContact N-OG 3.47Å; A922-S926 PolarHBondContact O-N 3.16Å; S923-S926 PolarHBondContact O-N 2.95Å; S923-S926 VanDerWaalsContact O-O 3.13Å; S926-F928 WeakPolarHBondContact CB-O 3.38Å; S926-F928 PolarHBondContact O-N 3.18Å; S926-F928 PolarHBondContact OG-N 3.06Å; S926-F928 PolarHBondContact OG-O 3.28Å
927P81.8Confident76.4Confident8 Ų834 Ų345%0.05218%0.18CC..SBendtrans-67.2-23.6176.129.3-36.7000113.6C499 I500 G914C499-P927 WeakPolarHBondContact CA-O 3.36Å; I500-P927 PolarHBondContact N-O 2.88Å; G914-P927 WeakPolarHBondContact O-CD 3.44Å; G914-P927 WeakPolarHBondContact O-CG 3.44Å
928F88.9Confident76.8Confident0 Ų033.8 Ų33.80%018%0.179CC..EExtended strand (participates in β ladder)trans-126.2139.7177-56-78.2000111.4F498 C499 R504 I505 C508 G914 I915 S916 S926 L941F498-F928 VanDerWaalsContact O-CA 3.31Å; F498-F928 WeakPolarHBondContact O-CA 3.45Å; C499-F928 HydrophobicContact CB-CD1 3.77Å; C499-F928 HydrophobicContact CB-CE1 3.78Å; C499-F928 WeakPolarHBondContact SG-CE1 3.4Å; R504-F928 HydrophobicContact CB-CE2 4.1Å; R504-F928 HydrophobicContact CB-CZ 4Å; I505-F928 HydrophobicContact CG1-CE1 3.84Å; I505-F928 HydrophobicContact CG1-CZ 4.11Å; C508-F928 WeakPolarHBondContact SG-CE2 3.46Å; C508-F928 VanDerWaalsContact SG-CZ 3.55Å; G914-F928 WeakPolarHBondContact O-CB 3.32Å; G914-F928 WeakPolarHBondContact O-CD2 3.44Å; G914-F928 PolarHBondContact O-N 2.8Å; I915-F928 WeakPolarHBondContact CA-O 3.5Å; I915-F928 HydrophobicContact CG1-CB 4.41Å; S916-F928 PolarHBondContact N-O 2.95Å; S926-F928 WeakPolarHBondContact CB-O 3.38Å; S926-F928 PolarHBondContact O-N 3.18Å; S926-F928 PolarHBondContact OG-N 3.06Å; S926-F928 PolarHBondContact OG-O 3.28Å; F928-L941 HydrophobicContact CB-CD2 4.41Å; F928-L941 HydrophobicContact CD1-CD1 3.91Å; F928-L941 HydrophobicContact CD1-CD2 4.29Å; F928-L941 HydrophobicContact CD2-CD2 3.82Å; F928-L941 HydrophobicContact CE1-CD1 3.78Å; F928-L941 HydrophobicContact CE2-CD2 4.14Å; F928-L941 HydrophobicContact CG-CD1 4.38Å; F928-L941 HydrophobicContact CG-CD2 3.91Å; F928-L941 HydrophobicContact CZ-CD1 4.16Å; F928-L941 HydrophobicContact CZ-CD2 4.5Å
929T88.6Confident77.8Confident14 Ų1432.8 Ų32.89%0.08617%0.172CC..EExtended strand (participates in β ladder)trans-129.6125.4176.8-46.60000109.1I497 F498 S916 S918 S923I497-T929 CarbonylContact C-O 3.51Å; I497-T929 WeakPolarHBondContact CA-O 3.24Å; F498-T929 PolarHBondContact N-O 3.44Å; F498-T929 PolarHBondContact O-N 2.65Å; S916-T929 WeakPolarHBondContact O-CA 3.42Å; S918-T929 WeakPolarHBondContact O-CG2 3.26Å; S923-T929 VanDerWaalsContact CB-CG2 3.44Å; S923-T929 WeakPolarHBondContact CB-OG1 3.47Å
930S89.3Confident79.3Confident0 Ų028.1 Ų28.10%015%0.154CC..EExtended strand (participates in β ladder)trans-96.7131.5175179.30000109.5S916 T932S916-S930 PolarHBondContact O-N 3.24Å; S930-T932 VanDerWaalsContact C-N 3.33Å; S930-T932 PolarHBondContact OG-N 3.39Å; S930-T932 PolarHBondContact OG-O 3.43Å; S930-T932 PolarHBondContact OG-OG1 2.87Å; S930-T932 VanDerWaalsContact OG-OG1 3.08Å
931R86.3Confident81.2Confident161 Ų16125.1 Ų25.161%0.60814%0.138SC*.SBendtrans-74.4-26171.5-178.6159.1-162.2-147.9-2.4113G496 F498 E919G496-R931 WeakPolarHBondContact O-CB 3.49Å; G496-R931 PolarHBondContact O-N 3.07Å; F498-R931 HydrophobicContact CE2-CB 4.42Å; E919-R931 WeakPolarHBondContact OE1-CD 3.14Å; E919-R931 VanDerWaalsContact OE1-CG 3.25Å; E919-R931 WeakPolarHBondContact OE1-CG 3.31Å; E919-R931 IonicContact OE1-NE 3.42Å; E919-R931 PolarHBondContact OE1-NE 3.49Å
932T86.9Confident83.4Confident57 Ų5722.7 Ų22.735%0.3513%0.127SC..SBendtrans-88.7124.2177.250.80000109.2S930 N934S930-T932 VanDerWaalsContact C-N 3.33Å; S930-T932 PolarHBondContact OG-N 3.39Å; S930-T932 PolarHBondContact OG-O 3.43Å; S930-T932 PolarHBondContact OG-OG1 2.87Å; S930-T932 VanDerWaalsContact OG-OG1 3.08Å; T932-N934 PolarHBondContact O-N 2.91Å
933P85.3Confident85.5Confident78 Ų7825.2 Ų25.251%0.50614%0.136SC..SBendtrans-80.151-176.834.4-37.1000111.6K747K747-P933 PolarHBondContact NZ-O 3.1Å
934N88.7Confident87.3Confident24 Ų2425.1 Ų25.113%0.12813%0.133CC..SBendtrans-144.7162.7175.969.125.5000111.2L917 T932 S936 C937L917-N934 VanDerWaalsContact CD2-O 3.26Å; L917-N934 WeakPolarHBondContact CD2-O 3.41Å; T932-N934 PolarHBondContact O-N 2.91Å; N934-S936 PolarHBondContact O-N 2.93Å; N934-S936 VanDerWaalsContact OD1-CB 3.31Å; N934-S936 WeakPolarHBondContact OD1-CB 3.3Å; N934-S936 PolarHBondContact OD1-N 3.35Å; N934-S936 PolarHBondContact OD1-OG 2.92Å; N934-C937 PolarHBondContact O-SG 2.8Å
935I93.5Very high88.9Confident0 Ų024.2 Ų24.20%013%0.128CC..THydrogen-bonded Turntrans-77.92.8-175.362.8162.7000114.4F516 T521 L522 T750 V753 L754 L917 C937 V938 P939F516-I935 HydrophobicContact CD1-CG2 3.96Å; F516-I935 HydrophobicContact CE1-CB 4.05Å; F516-I935 HydrophobicContact CE1-CD1 4.26Å; F516-I935 HydrophobicContact CE1-CG2 3.87Å; T521-I935 HydrophobicContact CG2-CG2 3.81Å; L522-I935 HydrophobicContact CD2-CD1 3.94Å; L522-I935 HydrophobicContact CD2-CG2 4.44Å; T750-I935 HydrophobicContact CG2-CD1 4.09Å; V753-I935 HydrophobicContact CB-CD1 3.75Å; V753-I935 HydrophobicContact CB-CG1 3.87Å; V753-I935 HydrophobicContact CG1-CB 4.4Å; V753-I935 HydrophobicContact CG1-CD1 3.65Å; V753-I935 HydrophobicContact CG1-CG1 3.8Å; V753-I935 HydrophobicContact CG2-CG1 4.17Å; L754-I935 HydrophobicContact CD2-CD1 4.31Å; L754-I935 HydrophobicContact CG-CD1 4.24Å; L917-I935 HydrophobicContact CD1-CG2 4.22Å; I935-C937 PolarHBondContact O-N 3.47Å; I935-C937 VanDerWaalsContact O-N 3.13Å; I935-V938 WeakPolarHBondContact O-CB 3.48Å; I935-V938 WeakPolarHBondContact O-CG2 3.11Å; I935-V938 PolarHBondContact O-N 2.93Å; I935-P939 WeakPolarHBondContact O-CD 3.37Å
936S92.9Very high90.3Very high41 Ų4124 Ų2429%0.28712%0.124SC..THydrogen-bonded Turntrans-63.6-19.8179.976.10000113.5N934 V938 P939 S940N934-S936 PolarHBondContact O-N 2.93Å; N934-S936 VanDerWaalsContact OD1-CB 3.31Å; N934-S936 WeakPolarHBondContact OD1-CB 3.3Å; N934-S936 PolarHBondContact OD1-N 3.35Å; N934-S936 PolarHBondContact OD1-OG 2.92Å; S936-V938 VanDerWaalsContact C-N 3.3Å; S936-V938 PolarHBondContact O-N 2.91Å; S936-P939 WeakPolarHBondContact O-CD 3.47Å; S936-P939 WeakPolarHBondContact O-CG 3.44Å; S936-S940 PolarHBondContact O-OG 2.92Å; S936-S940 VanDerWaalsContact O-OG 3.09Å
937C92.6Very high90.9Very high4 Ų423.9 Ų23.93%0.02712%0.124CC..Hα-helixtrans-65-31.3173.960.70000112.6I497 L917 N934 I935 S940 L941I497-C937 HydrophobicContact CD1-CB 3.78Å; I497-C937 HydrophobicContact CG1-CB 4.12Å; L917-C937 VanDerWaalsContact CD2-SG 3.53Å; N934-C937 PolarHBondContact O-SG 2.8Å; I935-C937 PolarHBondContact O-N 3.47Å; I935-C937 VanDerWaalsContact O-N 3.13Å; C937-S940 PolarHBondContact O-N 2.97Å; C937-L941 VanDerWaalsContact O-CB 3.31Å; C937-L941 WeakPolarHBondContact O-CB 3.32Å; C937-L941 PolarHBondContact O-N 3.44Å
938V94.8Very high91.4Very high2 Ų223.6 Ų23.61%0.01212%0.122CC..Hα-helixtrans-62-57.9-176178.40000112.3V514 F516 L757 C898 I915 I935 S936 S940 L941 I942V514-V938 HydrophobicContact CG1-CG1 4.24Å; V514-V938 HydrophobicContact CG2-CG1 4.21Å; F516-V938 HydrophobicContact CE1-CG2 3.9Å; F516-V938 HydrophobicContact CZ-CG1 4.28Å; F516-V938 HydrophobicContact CZ-CG2 4.31Å; L757-V938 HydrophobicContact CD1-CG1 4.32Å; L757-V938 HydrophobicContact CD2-CG1 4.37Å; C898-V938 HydrophobicContact CB-CG2 4.18Å; I915-V938 HydrophobicContact CD1-CB 4.28Å; I915-V938 HydrophobicContact CD1-CG1 4.46Å; I915-V938 HydrophobicContact CD1-CG2 3.7Å; I935-V938 WeakPolarHBondContact O-CB 3.48Å; I935-V938 WeakPolarHBondContact O-CG2 3.11Å; I935-V938 PolarHBondContact O-N 2.93Å; S936-V938 VanDerWaalsContact C-N 3.3Å; S936-V938 PolarHBondContact O-N 2.91Å; V938-S940 VanDerWaalsContact C-N 3.26Å; V938-S940 PolarHBondContact O-N 3.35Å; V938-L941 PolarHBondContact O-N 2.94Å; V938-I942 HydrophobicContact CG1-CD1 4.07Å; V938-I942 WeakPolarHBondContact O-CG1 3.48Å; V938-I942 PolarHBondContact O-N 3.27Å
939P94.4Very high91.4Very high4 Ų423.6 Ų23.63%0.02612%0.122CC..Hα-helixtrans-62.8-35.3178.525.5-35.6000111.8V753 I935 S936 I942 R943 L1009V753-P939 HydrophobicContact CG1-CG 3.99Å; I935-P939 WeakPolarHBondContact O-CD 3.37Å; S936-P939 WeakPolarHBondContact O-CD 3.47Å; S936-P939 WeakPolarHBondContact O-CG 3.44Å; P939-I942 PolarHBondContact O-N 2.97Å; P939-R943 WeakPolarHBondContact O-CB 3.33Å; P939-R943 WeakPolarHBondContact O-CG 3.44Å; P939-R943 PolarHBondContact O-N 3.49Å; P939-L1009 HydrophobicContact CB-CD2 4.33Å
940S93.3Very high91.4Very high29 Ų2924 Ų2420%0.20312%0.124CC..Hα-helixtrans-62.4-43.7176.9-59.40000112S936 C937 V938 R943 E944S936-S940 PolarHBondContact O-OG 2.92Å; S936-S940 VanDerWaalsContact O-OG 3.09Å; C937-S940 PolarHBondContact O-N 2.97Å; V938-S940 VanDerWaalsContact C-N 3.26Å; V938-S940 PolarHBondContact O-N 3.35Å; S940-R943 PolarHBondContact O-N 3.41Å; S940-E944 PolarHBondContact O-N 3.35Å
941L94.6Very high91.4Very high1 Ų124.1 Ų24.11%0.00512%0.124CC..Hα-helixtrans-64.3-43.4176.1-178.763.7000111.7L492 C508 I915 F928 C937 V938 E944 G945L492-L941 HydrophobicContact CD1-CD1 3.84Å; L492-L941 HydrophobicContact CD2-CD1 4.03Å; C508-L941 HydrophobicContact CB-CG 4.25Å; I915-L941 HydrophobicContact CD1-CD2 3.6Å; I915-L941 HydrophobicContact CG1-CD2 3.78Å; F928-L941 HydrophobicContact CB-CD2 4.41Å; F928-L941 HydrophobicContact CD1-CD1 3.91Å; F928-L941 HydrophobicContact CD1-CD2 4.29Å; F928-L941 HydrophobicContact CD2-CD2 3.82Å; F928-L941 HydrophobicContact CE1-CD1 3.78Å; F928-L941 HydrophobicContact CE2-CD2 4.14Å; F928-L941 HydrophobicContact CG-CD1 4.38Å; F928-L941 HydrophobicContact CG-CD2 3.91Å; F928-L941 HydrophobicContact CZ-CD1 4.16Å; F928-L941 HydrophobicContact CZ-CD2 4.5Å; C937-L941 VanDerWaalsContact O-CB 3.31Å; C937-L941 WeakPolarHBondContact O-CB 3.32Å; C937-L941 PolarHBondContact O-N 3.44Å; V938-L941 PolarHBondContact O-N 2.94Å; L941-E944 PolarHBondContact O-N 3.08Å; L941-G945 PolarHBondContact O-N 3.35Å
942I94.4Very high91.5Very high2 Ų216.5 Ų16.51%0.0110%0.096CC..Hα-helixtrans-66.3-40.9178.1-61.5173.7000110.7I511 V514 L757 I762 V938 P939 G945 R946 L1009I511-I942 HydrophobicContact CB-CD1 4.38Å; I511-I942 HydrophobicContact CD1-CG1 4.23Å; I511-I942 HydrophobicContact CG2-CD1 4.07Å; V514-I942 HydrophobicContact CG2-CD1 4.35Å; L757-I942 HydrophobicContact CD2-CD1 4.17Å; I762-I942 HydrophobicContact CD1-CD1 3.81Å; I762-I942 HydrophobicContact CD1-CG2 4.31Å; V938-I942 HydrophobicContact CG1-CD1 4.07Å; V938-I942 WeakPolarHBondContact O-CG1 3.48Å; V938-I942 PolarHBondContact O-N 3.27Å; P939-I942 PolarHBondContact O-N 2.97Å; I942-G945 PolarHBondContact O-N 3.14Å; I942-R946 HydrophobicContact CG2-CG 4.37Å; I942-R946 WeakPolarHBondContact O-CB 3.17Å; I942-R946 VanDerWaalsContact O-CG 3.29Å; I942-R946 WeakPolarHBondContact O-CG 3.48Å; I942-R946 PolarHBondContact O-N 3.47Å; I942-L1009 HydrophobicContact CB-CD1 4.21Å; I942-L1009 HydrophobicContact CG2-CD1 3.72Å
943R93.3Very high91.5Very high54 Ų5414 Ų1420%0.2048%0.08CC..Hα-helixtrans-58.5-49.8175.3-72.1169.4-155.41674.2111.1D756 P939 S940 R946 A947 A1005 K1007 L1009D756-R943 IonicContact OD2-NH2 2.66Å; D756-R943 PolarHBondContact OD2-NH2 2.85Å; D756-R943 VanDerWaalsContact OD2-NH2 3.11Å; P939-R943 WeakPolarHBondContact O-CB 3.33Å; P939-R943 WeakPolarHBondContact O-CG 3.44Å; P939-R943 PolarHBondContact O-N 3.49Å; S940-R943 PolarHBondContact O-N 3.41Å; R943-R946 PolarHBondContact O-N 3.39Å; R943-A947 WeakPolarHBondContact O-CB 3.37Å; R943-A947 PolarHBondContact O-N 2.92Å; R943-A1005 HydrophobicContact CB-CB 4.42Å; R943-K1007 WeakPolarHBondContact CD-O 3.47Å; R943-K1007 PolarHBondContact NE-O 3.21Å; R943-K1007 PolarHBondContact NH1-O 3.39Å; R943-K1007 VanDerWaalsContact NH1-O 3.1Å; R943-L1009 HydrophobicContact CG-CB 4.26Å; R943-L1009 HydrophobicContact CG-CD1 3.8Å
944E93.4Very high91.7Very high18 Ų1811 Ų118%0.0846%0.061CC..Hα-helixtrans-66.2-39.2177.6-76.5-65.3155.500112.3R491 L492 S940 L941 R946 A947 A948 A1005R491-E944 IonicContact CZ-OE2 3.27Å; R491-E944 VanDerWaalsContact CZ-OE2 3.28Å; R491-E944 IonicContact NE-OE1 2.64Å; R491-E944 PolarHBondContact NE-OE1 3.35Å; R491-E944 IonicContact NE-OE2 3.31Å; R491-E944 PolarHBondContact NE-OE2 3.04Å; R491-E944 IonicContact NH2-OE2 2.82Å; R491-E944 PolarHBondContact NH2-OE2 3.13Å; L492-E944 HydrophobicContact CD2-CB 3.92Å; L492-E944 HydrophobicContact CD2-CG 3.94Å; L492-E944 HydrophobicContact CG-CB 4.24Å; L492-E944 HydrophobicContact CG-CG 4.34Å; S940-E944 PolarHBondContact O-N 3.35Å; L941-E944 PolarHBondContact O-N 3.08Å; E944-R946 PolarHBondContact O-N 2.89Å; E944-A947 PolarHBondContact O-N 2.66Å; E944-A948 VanDerWaalsContact O-CB 3.28Å; E944-A948 WeakPolarHBondContact O-CB 3.45Å; E944-A948 PolarHBondContact O-N 2.76Å; E944-A1005 HydrophobicContact CG-CB 4.36Å; E944-A1005 WeakPolarHBondContact OE1-CB 3.43Å
945G92.8Very high91.7Very high0 Ų09.9 Ų9.90%06%0.055CC..Hα-helixtrans-62.3-41.6175.500000113.1I505 L941 I942 A948 L949I505-G945 WeakPolarHBondContact O-CA 3.29Å; L941-G945 PolarHBondContact O-N 3.35Å; I942-G945 PolarHBondContact O-N 3.14Å; G945-A948 PolarHBondContact O-N 3.31Å; G945-L949 WeakPolarHBondContact O-CB 3.45Å; G945-L949 PolarHBondContact O-N 2.85Å
946R91.4Very high91.4Very high5 Ų510.5 Ų10.52%0.0196%0.057CC..Hα-helixtrans-64.8-41.8174.2-71.7178.1178.7179.8-1.4111.9G509 I942 R943 E944 I950 L1009 V1010 R1012 P1014 F1109G509-R946 WeakPolarHBondContact O-CG 3.26Å; I942-R946 HydrophobicContact CG2-CG 4.37Å; I942-R946 WeakPolarHBondContact O-CB 3.17Å; I942-R946 VanDerWaalsContact O-CG 3.29Å; I942-R946 WeakPolarHBondContact O-CG 3.48Å; I942-R946 PolarHBondContact O-N 3.47Å; R943-R946 PolarHBondContact O-N 3.39Å; E944-R946 PolarHBondContact O-N 2.89Å; R946-I950 WeakPolarHBondContact O-CG1 3.32Å; R946-I950 PolarHBondContact O-N 3.24Å; R946-I950 VanDerWaalsContact O-N 3.1Å; R946-L1009 VanDerWaalsContact NH1-CD1 3.3Å; R946-V1010 PolarHBondContact NH1-O 3.13Å; R946-R1012 PolarHBondContact NH1-O 2.9Å; R946-P1014 HydrophobicContact CB-CG 4.01Å; R946-P1014 HydrophobicContact CG-CG 3.92Å; R946-F1109 HydrophobicContact CB-CD1 3.98Å; R946-F1109 HydrophobicContact CG-CD1 4.49Å
947A92.1Very high91.2Very high0 Ų09.6 Ų9.60%05%0.048CC..Hα-helixtrans-66.5-42.3177.300000112.2R943 E944 T951 A1005 R1110R943-A947 WeakPolarHBondContact O-CB 3.37Å; R943-A947 PolarHBondContact O-N 2.92Å; E944-A947 PolarHBondContact O-N 2.66Å; A947-T951 VanDerWaalsContact O-CB 3.29Å; A947-T951 WeakPolarHBondContact O-CB 3.27Å; A947-T951 PolarHBondContact O-N 3.23Å; A947-T951 PolarHBondContact O-OG1 3.26Å; A947-A1005 HydrophobicContact CB-CB 3.58Å; A947-R1110 HydrophobicContact CB-CG 4.23Å
948A91.4Very high91.1Very high1 Ų19.4 Ų9.41%0.0085%0.047CC..Hα-helixtrans-63.2-47.3176.700000111.2A488 I505 N506 E944 G945 I950 T951 S952A488-A948 HydrophobicContact CB-CB 3.9Å; I505-A948 HydrophobicContact CG2-CB 3.97Å; N506-A948 WeakPolarHBondContact OD1-CB 3.27Å; E944-A948 VanDerWaalsContact O-CB 3.28Å; E944-A948 WeakPolarHBondContact O-CB 3.45Å; E944-A948 PolarHBondContact O-N 2.76Å; G945-A948 PolarHBondContact O-N 3.31Å; A948-I950 PolarHBondContact O-N 2.93Å; A948-T951 WeakPolarHBondContact O-CB 3.49Å; A948-T951 PolarHBondContact O-N 2.88Å; A948-T951 VanDerWaalsContact O-N 3.13Å; A948-S952 PolarHBondContact O-N 2.82Å; A948-S952 PolarHBondContact O-OG 3.24Å
949L88.9Confident90.9Very high0 Ų09.4 Ų9.40%05%0.047CC..Hα-helixtrans-61.2-46.6179-178.955.8000112.5F423 N506 Q510 G945 T951 S952 F953 P1014F423-L949 HydrophobicContact CE1-CD1 4.36Å; F423-L949 HydrophobicContact CZ-CD1 3.78Å; N506-L949 HydrophobicContact CB-CD1 4.35Å; N506-L949 PolarHBondContact OD1-N 3.32Å; Q510-L949 HydrophobicContact CG-CD2 3.99Å; G945-L949 WeakPolarHBondContact O-CB 3.45Å; G945-L949 PolarHBondContact O-N 2.85Å; L949-T951 VanDerWaalsContact C-N 3.29Å; L949-T951 PolarHBondContact O-N 2.98Å; L949-S952 PolarHBondContact O-N 3.42Å; L949-F953 HydrophobicContact CD1-CE1 4.03Å; L949-F953 HydrophobicContact CD1-CE2 4.02Å; L949-F953 HydrophobicContact CD1-CZ 3.71Å; L949-F953 HydrophobicContact CD2-CE2 4.38Å; L949-F953 HydrophobicContact CG-CD2 4.42Å; L949-F953 HydrophobicContact CG-CE2 3.85Å; L949-F953 HydrophobicContact CG-CZ 4.05Å; L949-F953 WeakPolarHBondContact O-CG 3.48Å; L949-F953 PolarHBondContact O-N 3.3Å; L949-P1014 HydrophobicContact CD2-CB 3.89Å; L949-P1014 HydrophobicContact CD2-CG 4.36Å; L949-P1014 HydrophobicContact CG-CB 4.34Å
950I88.9Confident90.5Very high23 Ų239.3 Ų9.312%0.1185%0.047CC..Hα-helixtrans-63.9-37.7175.3-68.4-69.5000111R946 A948 F953 C954 P1014 F1109 R1110R946-I950 WeakPolarHBondContact O-CG1 3.32Å; R946-I950 PolarHBondContact O-N 3.24Å; R946-I950 VanDerWaalsContact O-N 3.1Å; A948-I950 PolarHBondContact O-N 2.93Å; I950-F953 HydrophobicContact CD1-CD2 4.25Å; I950-F953 PolarHBondContact O-N 3.5Å; I950-C954 WeakPolarHBondContact O-CB 3.45Å; I950-C954 PolarHBondContact O-N 2.92Å; I950-C954 PolarHBondContact O-SG 3.47Å; I950-P1014 HydrophobicContact CD1-CB 3.75Å; I950-P1014 HydrophobicContact CD1-CG 4.27Å; I950-P1014 HydrophobicContact CG1-CB 4.06Å; I950-P1014 HydrophobicContact CG1-CG 4.08Å; I950-F1109 HydrophobicContact CD1-CD2 3.77Å; I950-F1109 HydrophobicContact CD1-CE2 4.08Å; I950-F1109 HydrophobicContact CG1-CB 3.96Å; I950-F1109 HydrophobicContact CG1-CD2 3.59Å; I950-F1109 HydrophobicContact CG1-CE2 4.32Å; I950-F1109 HydrophobicContact CG1-CG 3.9Å; I950-R1110 HydrophobicContact CG2-CG 4.38Å
951T90.3Very high90.3Very high2 Ų28 Ų81%0.0124%0.037CC..Hα-helixtrans-63.2-44.9176.2-60.30000111.2A947 A948 L949 F953 C954 V955 R1110A947-T951 VanDerWaalsContact O-CB 3.29Å; A947-T951 WeakPolarHBondContact O-CB 3.27Å; A947-T951 PolarHBondContact O-N 3.23Å; A947-T951 PolarHBondContact O-OG1 3.26Å; A948-T951 WeakPolarHBondContact O-CB 3.49Å; A948-T951 PolarHBondContact O-N 2.88Å; A948-T951 VanDerWaalsContact O-N 3.13Å; L949-T951 VanDerWaalsContact C-N 3.29Å; L949-T951 PolarHBondContact O-N 2.98Å; T951-F953 VanDerWaalsContact C-N 3.31Å; T951-F953 PolarHBondContact O-N 3.43Å; T951-C954 PolarHBondContact O-N 3.2Å; T951-V955 HydrophobicContact CG2-CG2 4.34Å; T951-V955 WeakPolarHBondContact O-CB 3.18Å; T951-V955 VanDerWaalsContact O-CG2 3.29Å; T951-V955 WeakPolarHBondContact O-CG2 3.27Å; T951-V955 PolarHBondContact O-N 2.87Å; T951-R1110 VanDerWaalsContact OG1-CD 3.25Å; T951-R1110 WeakPolarHBondContact OG1-CD 3.31Å
952S88.4Confident90.1Very high2 Ų28.1 Ų8.11%0.0144%0.038CC..Hα-helixtrans-58.5-41.2173.5-64.30000112.1N506 A948 L949 F956N506-S952 PolarHBondContact ND2-OG 3.4Å; A948-S952 PolarHBondContact O-N 2.82Å; A948-S952 PolarHBondContact O-OG 3.24Å; L949-S952 PolarHBondContact O-N 3.42Å; S952-F956 VanDerWaalsContact O-CB 3.26Å; S952-F956 WeakPolarHBondContact O-CB 3.33Å; S952-F956 PolarHBondContact O-N 3.29Å
953F86.9Confident89.9Confident4 Ų48 Ų82%0.0184%0.037CC..Hα-helixtrans-65.3-43.8174.9-67.5-27.3000113.1L425 L949 I950 T951 F956 K957 P1015 L1018 L1023L425-F953 HydrophobicContact CD1-CD1 3.7Å; L425-F953 HydrophobicContact CD1-CE1 3.29Å; L425-F953 HydrophobicContact CD1-CZ 4.36Å; L949-F953 HydrophobicContact CD1-CE1 4.03Å; L949-F953 HydrophobicContact CD1-CE2 4.02Å; L949-F953 HydrophobicContact CD1-CZ 3.71Å; L949-F953 HydrophobicContact CD2-CE2 4.38Å; L949-F953 HydrophobicContact CG-CD2 4.42Å; L949-F953 HydrophobicContact CG-CE2 3.85Å; L949-F953 HydrophobicContact CG-CZ 4.05Å; L949-F953 WeakPolarHBondContact O-CG 3.48Å; L949-F953 PolarHBondContact O-N 3.3Å; I950-F953 HydrophobicContact CD1-CD2 4.25Å; I950-F953 PolarHBondContact O-N 3.5Å; T951-F953 VanDerWaalsContact C-N 3.31Å; T951-F953 PolarHBondContact O-N 3.43Å; F953-F956 PolarHBondContact O-N 3.32Å; F953-K957 WeakPolarHBondContact O-CG 3.29Å; F953-K957 PolarHBondContact O-N 2.91Å; F953-P1015 HydrophobicContact CE2-CB 4.05Å; F953-P1015 HydrophobicContact CE2-CG 4.34Å; F953-P1015 WeakPolarHBondContact CE2-O 3.49Å; F953-P1015 HydrophobicContact CZ-CB 4.47Å; F953-P1015 WeakPolarHBondContact CZ-O 3.49Å; F953-L1018 HydrophobicContact CD1-CD2 3.33Å; F953-L1018 HydrophobicContact CD1-CG 4.1Å; F953-L1018 HydrophobicContact CE1-CD2 3.72Å; F953-L1018 HydrophobicContact CE1-CG 3.97Å; F953-L1018 HydrophobicContact CG-CD2 4.39Å; F953-L1023 HydrophobicContact CD2-CD1 4.26Å; F953-L1023 HydrophobicContact CE2-CD1 4.46Å; F953-L1023 HydrophobicContact CG-CD1 4.3Å
954C88.8Confident89.8Confident15 Ų156.2 Ų6.210%0.1013%0.031CC..Hα-helixtrans-67.3-41-179.8-67.30000111.8I950 T951 F956 K957 F958 M1000 F1103 R1110I950-C954 WeakPolarHBondContact O-CB 3.45Å; I950-C954 PolarHBondContact O-N 2.92Å; I950-C954 PolarHBondContact O-SG 3.47Å; T951-C954 PolarHBondContact O-N 3.2Å; C954-F956 VanDerWaalsContact C-N 3.35Å; C954-K957 PolarHBondContact O-N 3.34Å; C954-F958 WeakPolarHBondContact O-CB 3.43Å; C954-F958 PolarHBondContact O-N 2.98Å; C954-M1000 HydrophobicContact CB-CE 3.43Å; C954-M1000 VanDerWaalsContact CB-CE 3.43Å; C954-F1103 PolarHBondContact SG-O 3.46Å; C954-R1110 PolarHBondContact SG-NH2 3.45Å
955V89.6Confident89.8Confident1 Ų15.4 Ų5.41%0.0063%0.028CC..Hα-helixtrans-60.9-46.6172.4169.80000109.9A480 T951 K957 F958 M959 V997 S1001A480-V955 HydrophobicContact CB-CG1 3.6Å; T951-V955 HydrophobicContact CG2-CG2 4.34Å; T951-V955 WeakPolarHBondContact O-CB 3.18Å; T951-V955 VanDerWaalsContact O-CG2 3.29Å; T951-V955 WeakPolarHBondContact O-CG2 3.27Å; T951-V955 PolarHBondContact O-N 2.87Å; V955-K957 PolarHBondContact O-N 3.04Å; V955-F958 PolarHBondContact O-N 3.31Å; V955-M959 HydrophobicContact CG1-CG 4.11Å; V955-M959 WeakPolarHBondContact O-CB 3.15Å; V955-M959 WeakPolarHBondContact O-CG 3.41Å; V955-M959 PolarHBondContact O-N 3.25Å; V955-V997 HydrophobicContact CG1-CG1 4.19Å; V955-S1001 WeakPolarHBondContact CG2-OG 3.39Å
956F87.4Confident89.7Confident12 Ų125.6 Ų5.65%0.0533%0.029CC..Hα-helixtrans-59.8-46.7177.2178.1-89.7000113.1A429 F432 L477 M481 S952 F953 C954 F958 M959 A960 L1018A429-F956 HydrophobicContact CB-CE2 4.09Å; F432-F956 HydrophobicContact CB-CZ 3.73Å; F432-F956 AromaticContact CD1-CE1 3.86Å; F432-F956 HydrophobicContact CD1-CE1 3.86Å; F432-F956 HydrophobicContact CD1-CE2 4.01Å; F432-F956 AromaticContact CD1-CZ 3.19Å; F432-F956 HydrophobicContact CD1-CZ 3.19Å; F432-F956 HydrophobicContact CD2-CE1 4.29Å; F432-F956 HydrophobicContact CD2-CZ 4.17Å; F432-F956 AromaticContact CE1-CE1 4Å; F432-F956 HydrophobicContact CE1-CE1 4Å; F432-F956 AromaticContact CE1-CZ 3.74Å; F432-F956 HydrophobicContact CE1-CZ 3.74Å; F432-F956 HydrophobicContact CE2-CE1 4.45Å; F432-F956 AromaticContact CG-CE1 3.99Å; F432-F956 HydrophobicContact CG-CE1 3.99Å; F432-F956 HydrophobicContact CG-CE2 4.49Å; F432-F956 AromaticContact CG-CZ 3.43Å; F432-F956 HydrophobicContact CG-CZ 3.43Å; F432-F956 VanDerWaalsContact CG-CZ 3.43Å; F432-F956 HydrophobicContact CZ-CE1 4.31Å; F432-F956 HydrophobicContact CZ-CZ 4.44Å; L477-F956 HydrophobicContact CD1-CD2 4.15Å; M481-F956 HydrophobicContact SD-CD2 4.32Å; S952-F956 VanDerWaalsContact O-CB 3.26Å; S952-F956 WeakPolarHBondContact O-CB 3.33Å; S952-F956 PolarHBondContact O-N 3.29Å; F953-F956 PolarHBondContact O-N 3.32Å; C954-F956 VanDerWaalsContact C-N 3.35Å; F956-F958 VanDerWaalsContact C-N 3.3Å; F956-F958 PolarHBondContact O-N 2.97Å; F956-M959 PolarHBondContact O-N 2.82Å; F956-A960 WeakPolarHBondContact O-CB 3.4Å; F956-A960 PolarHBondContact O-N 3.47Å; F956-L1018 HydrophobicContact CB-CD2 4Å; F956-L1018 HydrophobicContact CD1-CD1 4.43Å; F956-L1018 HydrophobicContact CD1-CD2 3.5Å; F956-L1018 HydrophobicContact CD1-CG 4.46Å; F956-L1018 HydrophobicContact CD2-CD1 4.03Å; F956-L1018 HydrophobicContact CD2-CD2 4.28Å; F956-L1018 HydrophobicContact CE1-CB 4.44Å; F956-L1018 HydrophobicContact CE1-CD1 4.3Å; F956-L1018 HydrophobicContact CE1-CD2 3.9Å; F956-L1018 HydrophobicContact CE1-CG 4.45Å; F956-L1018 HydrophobicContact CE2-CD1 3.9Å; F956-L1018 HydrophobicContact CG-CD1 4.26Å; F956-L1018 HydrophobicContact CG-CD2 3.66Å; F956-L1018 HydrophobicContact CZ-CD1 3.99Å; F956-L1018 HydrophobicContact CZ-CD2 4.41Å
957K87.9Confident89.7Confident22 Ų226.7 Ų6.710%0.0963%0.033CC..Hα-helixtrans-58.2-44.9176.3-74.7-169.5-178.4-170.90111.7F953 C954 V955 L961 S1026 V1027 F1103 E1173F953-K957 WeakPolarHBondContact O-CG 3.29Å; F953-K957 PolarHBondContact O-N 2.91Å; C954-K957 PolarHBondContact O-N 3.34Å; V955-K957 PolarHBondContact O-N 3.04Å; K957-L961 VanDerWaalsContact O-CB 3.27Å; K957-L961 WeakPolarHBondContact O-CB 3.44Å; K957-L961 PolarHBondContact O-N 2.87Å; K957-S1026 PolarHBondContact NZ-OG 3.49Å; K957-V1027 HydrophobicContact CB-CG2 4.13Å; K957-V1027 HydrophobicContact CD-CG2 4.1Å; K957-V1027 HydrophobicContact CG-CG2 3.72Å; K957-F1103 HydrophobicContact CB-CD2 3.72Å; K957-F1103 HydrophobicContact CB-CE2 3.68Å; K957-F1103 HydrophobicContact CB-CG 4.27Å; K957-F1103 HydrophobicContact CB-CZ 4.22Å; K957-F1103 HydrophobicContact CD-CD1 4.13Å; K957-F1103 HydrophobicContact CD-CE1 4.1Å; K957-F1103 HydrophobicContact CD-CE2 4.46Å; K957-F1103 HydrophobicContact CD-CG 4.35Å; K957-F1103 HydrophobicContact CD-CZ 4.27Å; K957-E1173 IonicContact NZ-OE1 3.96Å
958F91.2Very high89.7Confident1 Ų17.3 Ų7.30%0.0044%0.036CC..Hα-helixtrans-61.6-47.8177.2179.2-104.3000110.9C954 V955 F956 A960 L961 Y962 I993 I996 V997 Y1096 V1099 A1100 F1103C954-F958 WeakPolarHBondContact O-CB 3.43Å; C954-F958 PolarHBondContact O-N 2.98Å; V955-F958 PolarHBondContact O-N 3.31Å; F956-F958 VanDerWaalsContact C-N 3.3Å; F956-F958 PolarHBondContact O-N 2.97Å; F958-A960 PolarHBondContact O-N 3.29Å; F958-L961 PolarHBondContact O-N 3.46Å; F958-Y962 PolarHBondContact O-N 2.85Å; F958-I993 HydrophobicContact CE1-CD1 4.01Å; F958-I993 HydrophobicContact CE1-CG2 4.1Å; F958-I993 HydrophobicContact CZ-CD1 3.62Å; F958-I996 HydrophobicContact CE1-CG2 4.1Å; F958-I996 HydrophobicContact CE2-CG2 4.33Å; F958-I996 HydrophobicContact CZ-CB 4.49Å; F958-I996 HydrophobicContact CZ-CG2 3.81Å; F958-V997 HydrophobicContact CD1-CG2 3.58Å; F958-V997 HydrophobicContact CE1-CG2 3.52Å; F958-Y1096 WeakPolarHBondContact CE2-O 3.23Å; F958-V1099 HydrophobicContact CD2-CG1 4Å; F958-A1100 HydrophobicContact CD2-CB 4.03Å; F958-A1100 HydrophobicContact CE2-CB 3.61Å; F958-A1100 HydrophobicContact CZ-CB 4.26Å; F958-F1103 HydrophobicContact CB-CD2 4.37Å
959M88.8Confident89.8Confident1 Ų17.2 Ų7.21%0.0054%0.036CC..Hα-helixtrans-60.1-44.2178.3-68.7-56.2-74.400112.4P474 A476 L477 A480 V955 F956 Y962 S963 I993 V997P474-M959 HydrophobicContact CB-CE 3.7Å; P474-M959 HydrophobicContact CG-CB 4.49Å; A476-M959 HydrophobicContact CB-CE 3.84Å; L477-M959 HydrophobicContact CD1-CB 3.6Å; L477-M959 HydrophobicContact CD1-CG 4Å; A480-M959 HydrophobicContact CB-CE 4.42Å; A480-M959 HydrophobicContact CB-CG 4.2Å; A480-M959 HydrophobicContact CB-SD 4.28Å; V955-M959 HydrophobicContact CG1-CG 4.11Å; V955-M959 WeakPolarHBondContact O-CB 3.15Å; V955-M959 WeakPolarHBondContact O-CG 3.41Å; V955-M959 PolarHBondContact O-N 3.25Å; F956-M959 PolarHBondContact O-N 2.82Å; M959-Y962 VanDerWaalsContact CA-CD1 3.44Å; M959-Y962 HydrophobicContact CB-CD1 4.47Å; M959-Y962 HydrophobicContact CB-CE1 4.17Å; M959-Y962 HydrophobicContact CE-CE1 3.5Å; M959-Y962 HydrophobicContact CG-CE1 4.49Å; M959-Y962 WeakPolarHBondContact O-CD1 3.43Å; M959-Y962 WeakPolarHBondContact O-CE1 3.15Å; M959-Y962 HydrophobicContact SD-CD1 4.13Å; M959-Y962 HydrophobicContact SD-CE1 3.58Å; M959-Y962 VanDerWaalsContact SD-CE1 3.58Å; M959-S963 PolarHBondContact O-N 3.42Å; M959-S963 PolarHBondContact O-OG 3.27Å; M959-I993 HydrophobicContact SD-CG2 4.31Å; M959-V997 HydrophobicContact SD-CG2 3.57Å; M959-V997 VanDerWaalsContact SD-CG2 3.57Å
960A86.7Confident89.9Confident3 Ų37.3 Ų7.33%0.0254%0.036CC..Hα-helixtrans-65.9-43.2177.200000112.6F432 F956 F958 I964F432-A960 HydrophobicContact CE1-CB 3.43Å; F432-A960 VanDerWaalsContact CE1-CB 3.43Å; F432-A960 HydrophobicContact CZ-CB 3.58Å; F956-A960 WeakPolarHBondContact O-CB 3.4Å; F956-A960 PolarHBondContact O-N 3.47Å; F958-A960 PolarHBondContact O-N 3.29Å; A960-I964 WeakPolarHBondContact O-CG1 3.39Å; A960-I964 PolarHBondContact O-N 3.5Å
961L89.8Confident89.9Confident0 Ų07.3 Ų7.30%04%0.037CC..Hα-helixtrans-73.7-37.4-174.1-173.753.3000112.1K957 F958 I964 I965 Q1030 I1031 V1099 F1103K957-L961 VanDerWaalsContact O-CB 3.27Å; K957-L961 WeakPolarHBondContact O-CB 3.44Å; K957-L961 PolarHBondContact O-N 2.87Å; F958-L961 PolarHBondContact O-N 3.46Å; L961-I964 PolarHBondContact O-N 3.33Å; L961-I965 HydrophobicContact CD1-CD1 4.3Å; L961-I965 HydrophobicContact CD1-CG1 4.25Å; L961-I965 HydrophobicContact CG-CD1 3.87Å; L961-I965 HydrophobicContact CG-CG1 4.33Å; L961-I965 WeakPolarHBondContact O-CB 3.44Å; L961-I965 WeakPolarHBondContact O-CG1 3.21Å; L961-I965 PolarHBondContact O-N 3.12Å; L961-Q1030 HydrophobicContact CD2-CB 3.49Å; L961-Q1030 VanDerWaalsContact CD2-CB 3.49Å; L961-Q1030 HydrophobicContact CD2-CG 4.38Å; L961-I1031 HydrophobicContact CD1-CB 4.29Å; L961-I1031 HydrophobicContact CD1-CG1 3.44Å; L961-I1031 VanDerWaalsContact CD1-CG1 3.44Å; L961-V1099 HydrophobicContact CB-CG1 4.26Å; L961-V1099 HydrophobicContact CD2-CB 4.21Å; L961-V1099 HydrophobicContact CD2-CG1 3.46Å; L961-V1099 VanDerWaalsContact CD2-CG1 3.46Å; L961-V1099 HydrophobicContact CD2-CG2 3.6Å; L961-V1099 HydrophobicContact CG-CG1 4.06Å; L961-V1099 HydrophobicContact CG-CG2 4.25Å; L961-F1103 HydrophobicContact CB-CE2 4.18Å; L961-F1103 HydrophobicContact CD2-CE2 3.65Å; L961-F1103 HydrophobicContact CD2-CZ 3.67Å
962Y91Very high89.9Confident4 Ų48.5 Ų8.52%0.0164%0.043CC..Hα-helixtrans-64.3-42.7176.694.1-96.1000111.4P474 F958 M959 I964 I965 Q966 I993P474-Y962 WeakPolarHBondContact CA-OH 3.23Å; P474-Y962 HydrophobicContact CB-CE1 3.8Å; P474-Y962 WeakPolarHBondContact CB-OH 3.35Å; P474-Y962 HydrophobicContact CG-CE1 4.39Å; F958-Y962 PolarHBondContact O-N 2.85Å; M959-Y962 VanDerWaalsContact CA-CD1 3.44Å; M959-Y962 HydrophobicContact CB-CD1 4.47Å; M959-Y962 HydrophobicContact CB-CE1 4.17Å; M959-Y962 HydrophobicContact CE-CE1 3.5Å; M959-Y962 HydrophobicContact CG-CE1 4.49Å; M959-Y962 WeakPolarHBondContact O-CD1 3.43Å; M959-Y962 WeakPolarHBondContact O-CE1 3.15Å; M959-Y962 HydrophobicContact SD-CD1 4.13Å; M959-Y962 HydrophobicContact SD-CE1 3.58Å; M959-Y962 VanDerWaalsContact SD-CE1 3.58Å; Y962-I964 PolarHBondContact O-N 2.98Å; Y962-I965 PolarHBondContact O-N 2.68Å; Y962-I965 VanDerWaalsContact O-N 3.11Å; Y962-Q966 WeakPolarHBondContact O-CB 3.26Å; Y962-Q966 PolarHBondContact O-N 3.11Å; Y962-I993 HydrophobicContact CD1-CD1 4.49Å; Y962-I993 HydrophobicContact CD1-CG2 4.21Å; Y962-I993 HydrophobicContact CD2-CD1 4.16Å; Y962-I993 HydrophobicContact CD2-CG1 4.09Å; Y962-I993 HydrophobicContact CE1-CG2 4.1Å; Y962-I993 HydrophobicContact CE2-CG1 4.45Å; Y962-I993 HydrophobicContact CE2-CG2 4.49Å; Y962-I993 HydrophobicContact CG-CD1 3.91Å; Y962-I993 HydrophobicContact CG-CG1 4.26Å; Y962-I993 HydrophobicContact CG-CG2 4.48Å
963S89.9Confident89.9Confident0 Ų08.4 Ų8.40%04%0.043CC..Hα-helixtrans-60.3-35.6177.9-64.10000111.7T472 P474 M959 Y967T472-S963 WeakPolarHBondContact O-CB 3.37Å; P474-S963 WeakPolarHBondContact CD-OG 3.36Å; P474-S963 VanDerWaalsContact CG-OG 3.27Å; P474-S963 WeakPolarHBondContact CG-OG 3.44Å; M959-S963 PolarHBondContact O-N 3.42Å; M959-S963 PolarHBondContact O-OG 3.27Å; S963-Y967 WeakPolarHBondContact O-CB 3.38Å; S963-Y967 PolarHBondContact O-N 2.94Å
964I90.5Very high89.9Confident16 Ų168.7 Ų8.78%0.0824%0.044CC..Hα-helixtrans-72.9-41.1175.5-65.5170.5000111.7L436 A960 L961 Y962 Q966 Y967 I968 I1031L436-I964 HydrophobicContact CD2-CD1 3.77Å; L436-I964 HydrophobicContact CD2-CG1 4.02Å; A960-I964 WeakPolarHBondContact O-CG1 3.39Å; A960-I964 PolarHBondContact O-N 3.5Å; L961-I964 PolarHBondContact O-N 3.33Å; Y962-I964 PolarHBondContact O-N 2.98Å; I964-Q966 VanDerWaalsContact C-N 3.3Å; I964-Q966 PolarHBondContact O-N 3.34Å; I964-Y967 PolarHBondContact O-N 3.19Å; I964-I968 HydrophobicContact CG2-CD1 3.76Å; I964-I968 HydrophobicContact CG2-CG1 4.27Å; I964-I968 WeakPolarHBondContact O-CD1 3.47Å; I964-I968 WeakPolarHBondContact O-CG1 3.44Å; I964-I968 PolarHBondContact O-N 3.24Å; I964-I1031 HydrophobicContact CB-CG1 4.5Å; I964-I1031 HydrophobicContact CD1-CD1 3.35Å; I964-I1031 HydrophobicContact CD1-CG1 3.91Å; I964-I1031 HydrophobicContact CG2-CB 4.49Å; I964-I1031 HydrophobicContact CG2-CD1 4.41Å; I964-I1031 HydrophobicContact CG2-CG1 4.02Å; I964-I1031 HydrophobicContact CG2-CG2 3.77Å
965I92.6Very high89.6Confident1 Ų19.9 Ų9.91%0.0055%0.052CC..Hα-helixtrans-59.2-44.4175.5-71.3167.1000110.3L961 Y962 I968 S969 C1034 Q1038 Q1095 Y1096 V1099L961-I965 HydrophobicContact CD1-CD1 4.3Å; L961-I965 HydrophobicContact CD1-CG1 4.25Å; L961-I965 HydrophobicContact CG-CD1 3.87Å; L961-I965 HydrophobicContact CG-CG1 4.33Å; L961-I965 WeakPolarHBondContact O-CB 3.44Å; L961-I965 WeakPolarHBondContact O-CG1 3.21Å; L961-I965 PolarHBondContact O-N 3.12Å; Y962-I965 PolarHBondContact O-N 2.68Å; Y962-I965 VanDerWaalsContact O-N 3.11Å; I965-I968 PolarHBondContact O-N 3.3Å; I965-S969 PolarHBondContact O-N 3.01Å; I965-S969 PolarHBondContact O-OG 3.36Å; I965-C1034 HydrophobicContact CD1-CB 4.35Å; I965-C1034 HydrophobicContact CG1-CB 3.91Å; I965-Q1038 PolarHBondContact O-NE2 3.08Å; I965-Q1038 PolarHBondContact O-OE1 3.01Å; I965-Q1095 HydrophobicContact CD1-CB 4.3Å; I965-Q1095 HydrophobicContact CG2-CB 4.4Å; I965-Y1096 HydrophobicContact CB-CD1 4.36Å; I965-Y1096 HydrophobicContact CB-CE1 3.69Å; I965-Y1096 HydrophobicContact CD1-CD1 4.24Å; I965-Y1096 HydrophobicContact CD1-CE1 4.41Å; I965-Y1096 HydrophobicContact CG2-CD1 4Å; I965-Y1096 HydrophobicContact CG2-CE1 3.32Å; I965-V1099 HydrophobicContact CD1-CG2 4.07Å
966Q91.8Very high89.4Confident5 Ų511.7 Ų11.72%0.0236%0.063CC..Hα-helixtrans-65.8-46.2176.7-168.5176.62.300111.3I471 Y962 I964 I968 S969 V970 F985I471-Q966 HydrophobicContact CG2-CB 4.17Å; I471-Q966 HydrophobicContact CG2-CG 3.74Å; Y962-Q966 WeakPolarHBondContact O-CB 3.26Å; Y962-Q966 PolarHBondContact O-N 3.11Å; I964-Q966 VanDerWaalsContact C-N 3.3Å; I964-Q966 PolarHBondContact O-N 3.34Å; Q966-I968 VanDerWaalsContact C-N 3.33Å; Q966-I968 PolarHBondContact O-N 3.32Å; Q966-S969 PolarHBondContact O-N 2.86Å; Q966-V970 WeakPolarHBondContact O-CG2 3.1Å; Q966-V970 PolarHBondContact O-N 2.92Å; Q966-F985 HydrophobicContact CG-CE1 4.16Å; Q966-F985 VanDerWaalsContact NE2-CE1 3.29Å
967Y91.8Very high89Confident28 Ų2814.6 Ų14.611%0.118%0.079CC..Hα-helixtrans-56.1-43.4173.8163.9-91.6000112.4V439 G443 I468 T472 S963 I964 T971V439-Y967 HydrophobicContact CG1-CE1 4.33Å; G443-Y967 WeakPolarHBondContact CA-OH 3.48Å; G443-Y967 PolarHBondContact N-OH 2.78Å; G443-Y967 VanDerWaalsContact N-OH 3.14Å; I468-Y967 HydrophobicContact CG2-CD2 3.7Å; I468-Y967 HydrophobicContact CG2-CE2 3.38Å; T472-Y967 WeakPolarHBondContact OG1-CD2 3.47Å; S963-Y967 WeakPolarHBondContact O-CB 3.38Å; S963-Y967 PolarHBondContact O-N 2.94Å; I964-Y967 PolarHBondContact O-N 3.19Å; Y967-T971 VanDerWaalsContact O-CB 3.29Å; Y967-T971 WeakPolarHBondContact O-CB 3.47Å; Y967-T971 PolarHBondContact O-N 3.04Å; Y967-T971 PolarHBondContact O-OG1 3.12Å
968I92.3Very high88.9Confident12 Ų1213.7 Ų13.76%0.0628%0.075CC..Hα-helixtrans-65-44.8177.4-66.4161.1000110.2I964 I965 Q966 V970 T971 L972 L1035 Q1038I964-I968 HydrophobicContact CG2-CD1 3.76Å; I964-I968 HydrophobicContact CG2-CG1 4.27Å; I964-I968 WeakPolarHBondContact O-CD1 3.47Å; I964-I968 WeakPolarHBondContact O-CG1 3.44Å; I964-I968 PolarHBondContact O-N 3.24Å; I965-I968 PolarHBondContact O-N 3.3Å; Q966-I968 VanDerWaalsContact C-N 3.33Å; Q966-I968 PolarHBondContact O-N 3.32Å; I968-V970 PolarHBondContact O-N 3.2Å; I968-T971 PolarHBondContact O-N 2.84Å; I968-L972 HydrophobicContact CG2-CD1 3.95Å; I968-L972 HydrophobicContact CG2-CG 4.32Å; I968-L972 WeakPolarHBondContact O-CB 3.32Å; I968-L972 WeakPolarHBondContact O-CG 3.14Å; I968-L972 PolarHBondContact O-N 3.15Å; I968-L1035 HydrophobicContact CB-CD1 4.43Å; I968-L1035 HydrophobicContact CD1-CB 3.86Å; I968-L1035 HydrophobicContact CD1-CD1 4.02Å; I968-L1035 HydrophobicContact CD1-CG 4.48Å; I968-L1035 HydrophobicContact CG1-CD1 4.05Å; I968-L1035 HydrophobicContact CG2-CD1 3.45Å; I968-L1035 VanDerWaalsContact CG2-CD1 3.45Å; I968-Q1038 HydrophobicContact CG2-CB 4.4Å
969S92.9Very high88.7Confident0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-59.2-48179.4-63.10000111.6I965 Q966 L972 L973 Q1038I965-S969 PolarHBondContact O-N 3.01Å; I965-S969 PolarHBondContact O-OG 3.36Å; Q966-S969 PolarHBondContact O-N 2.86Å; S969-L972 PolarHBondContact O-N 2.88Å; S969-L973 WeakPolarHBondContact O-CG 3.41Å; S969-L973 PolarHBondContact O-N 2.96Å; S969-Q1038 VanDerWaalsContact OG-CD 3.24Å; S969-Q1038 PolarHBondContact OG-NE2 3.35Å; S969-Q1038 PolarHBondContact OG-OE1 3.33Å
970V90.3Very high88.6Confident1 Ų114 Ų141%0.0068%0.077CC..Hα-helixtrans-66-42.7177.91730000111.5I471 Q966 I968 L972 L973 Y974 N979 L980 F985I471-V970 HydrophobicContact CD1-CB 4.33Å; I471-V970 HydrophobicContact CD1-CG1 3.98Å; I471-V970 HydrophobicContact CD1-CG2 4.06Å; Q966-V970 WeakPolarHBondContact O-CG2 3.1Å; Q966-V970 PolarHBondContact O-N 2.92Å; I968-V970 PolarHBondContact O-N 3.2Å; V970-L972 VanDerWaalsContact C-N 3.3Å; V970-L972 PolarHBondContact O-N 2.98Å; V970-L973 PolarHBondContact O-N 3.28Å; V970-Y974 HydrophobicContact CG1-CD2 3.87Å; V970-Y974 HydrophobicContact CG1-CE1 4.26Å; V970-Y974 HydrophobicContact CG1-CE2 3.41Å; V970-Y974 VanDerWaalsContact CG1-CE2 3.41Å; V970-Y974 HydrophobicContact CG1-CG 4.47Å; V970-Y974 PolarHBondContact O-N 3.44Å; V970-N979 WeakPolarHBondContact CG1-OD1 3.15Å; V970-L980 HydrophobicContact CG2-CD1 3.85Å; V970-L980 HydrophobicContact CG2-CG 4.37Å; V970-F985 HydrophobicContact CG2-CE1 4.22Å; V970-F985 HydrophobicContact CG2-CZ 3.97Å
971T89.6Confident88.5Confident23 Ų2313.8 Ų13.814%0.1418%0.076CC..Hα-helixtrans-61.4-37.8177.3-57.30000112.2Y446 Y967 I968Y446-T971 HydrophobicContact CD1-CG2 3.81Å; Y446-T971 HydrophobicContact CE1-CG2 3.82Å; Y967-T971 VanDerWaalsContact O-CB 3.29Å; Y967-T971 WeakPolarHBondContact O-CB 3.47Å; Y967-T971 PolarHBondContact O-N 3.04Å; Y967-T971 PolarHBondContact O-OG1 3.12Å; I968-T971 PolarHBondContact O-N 2.84Å
972L90.3Very high88.3Confident28 Ų2814.9 Ų14.915%0.1478%0.081CC..Hα-helixtrans-68.7-41.4175-71.4173.6000111.6I968 S969 V970 S975 Q1038 F1042 L1088I968-L972 HydrophobicContact CG2-CD1 3.95Å; I968-L972 HydrophobicContact CG2-CG 4.32Å; I968-L972 WeakPolarHBondContact O-CB 3.32Å; I968-L972 WeakPolarHBondContact O-CG 3.14Å; I968-L972 PolarHBondContact O-N 3.15Å; S969-L972 PolarHBondContact O-N 2.88Å; V970-L972 VanDerWaalsContact C-N 3.3Å; V970-L972 PolarHBondContact O-N 2.98Å; L972-S975 VanDerWaalsContact O-CB 3.29Å; L972-S975 WeakPolarHBondContact O-CB 2.96Å; L972-S975 PolarHBondContact O-N 3.4Å; L972-S975 PolarHBondContact O-OG 2.9Å; L972-Q1038 HydrophobicContact CD1-CB 3.95Å; L972-F1042 HydrophobicContact CB-CD2 4.3Å; L972-F1042 HydrophobicContact CB-CE2 4.5Å; L972-F1042 HydrophobicContact CB-CG 4.39Å; L972-F1042 HydrophobicContact CD1-CB 4.37Å; L972-F1042 HydrophobicContact CD2-CD1 4.43Å; L972-F1042 VanDerWaalsContact O-CZ 3.29Å; L972-F1042 WeakPolarHBondContact O-CZ 3.12Å; L972-L1088 HydrophobicContact CB-CD1 4.13Å; L972-L1088 HydrophobicContact CD1-CD2 4.36Å
973L88.9Confident88.1Confident0 Ų016.7 Ų16.70%09%0.09CC..Hα-helixtrans-66.9-35.2177.5-71171.4000112.7S969 V970 S975 V976 L977 S978 L980 E1084 N1085 L1088S969-L973 WeakPolarHBondContact O-CG 3.41Å; S969-L973 PolarHBondContact O-N 2.96Å; V970-L973 PolarHBondContact O-N 3.28Å; L973-S975 PolarHBondContact O-N 3.48Å; L973-V976 CarbonylContact O-C 3.57Å; L973-V976 WeakPolarHBondContact O-CG2 3.38Å; L973-V976 PolarHBondContact O-N 3.34Å; L973-L977 PolarHBondContact O-N 3.46Å; L973-S978 CarbonylContact C-O 3.15Å; L973-S978 VanDerWaalsContact CB-O 3.31Å; L973-S978 WeakPolarHBondContact CB-O 3.2Å; L973-S978 PolarHBondContact O-N 3.48Å; L973-S978 VanDerWaalsContact O-N 3.09Å; L973-L980 HydrophobicContact CD1-CD2 4.06Å; L973-L980 HydrophobicContact CD1-CG 3.93Å; L973-E1084 HydrophobicContact CD2-CB 4.39Å; L973-N1085 HydrophobicContact CD1-CB 4.43Å; L973-N1085 HydrophobicContact CD2-CB 3.92Å; L973-L1088 HydrophobicContact CD2-CD1 3.89Å; L973-L1088 HydrophobicContact CG-CD1 3.88Å
974Y85.9Confident88.2Confident9 Ų916.7 Ų16.74%0.0359%0.09CC..Hα-helixtrans-62.3-24.6173.2-73.7-26.6000113.4L450 E464 D467 I468 V970 V976 L977 S978 N979L450-Y974 VanDerWaalsContact CD2-O 3.25Å; L450-Y974 WeakPolarHBondContact CD2-O 3.4Å; E464-Y974 HydrophobicContact CG-CE1 4.38Å; D467-Y974 PolarHBondContact OD2-OH 2.84Å; I468-Y974 HydrophobicContact CD1-CD2 3.93Å; I468-Y974 HydrophobicContact CD1-CE2 3.85Å; I468-Y974 HydrophobicContact CG1-CD2 4.23Å; I468-Y974 HydrophobicContact CG1-CE2 3.68Å; V970-Y974 HydrophobicContact CG1-CD2 3.87Å; V970-Y974 HydrophobicContact CG1-CE1 4.26Å; V970-Y974 HydrophobicContact CG1-CE2 3.41Å; V970-Y974 VanDerWaalsContact CG1-CE2 3.41Å; V970-Y974 HydrophobicContact CG1-CG 4.47Å; V970-Y974 PolarHBondContact O-N 3.44Å; Y974-V976 PolarHBondContact O-N 2.98Å; Y974-V976 VanDerWaalsContact O-N 3.14Å; Y974-L977 PolarHBondContact O-N 2.82Å; Y974-S978 VanDerWaalsContact CD1-O 3.23Å; Y974-S978 WeakPolarHBondContact CD1-O 3.2Å; Y974-S978 PolarHBondContact N-O 2.89Å; Y974-N979 HydrophobicContact CE1-CB 4.04Å; Y974-N979 PolarHBondContact OH-ND2 3.4Å
975S83.6Confident88Confident40 Ų4016.3 Ų16.328%0.289%0.087SC..THydrogen-bonded Turntrans-59.9-23.5172.680.40000113.7L972 L973 F1042L972-S975 VanDerWaalsContact O-CB 3.29Å; L972-S975 WeakPolarHBondContact O-CB 2.96Å; L972-S975 PolarHBondContact O-N 3.4Å; L972-S975 PolarHBondContact O-OG 2.9Å; L973-S975 PolarHBondContact O-N 3.48Å; S975-F1042 WeakPolarHBondContact OG-CE1 3.15Å; S975-F1042 WeakPolarHBondContact OG-CZ 3.49Å
976V83.6Confident87.8Confident40 Ų4018.2 Ų18.224%0.24210%0.097CC..THydrogen-bonded Turntrans-112.516.9175.8-670000112.8L973 Y974 S978 F1042L973-V976 CarbonylContact O-C 3.57Å; L973-V976 WeakPolarHBondContact O-CG2 3.38Å; L973-V976 PolarHBondContact O-N 3.34Å; Y974-V976 PolarHBondContact O-N 2.98Å; Y974-V976 VanDerWaalsContact O-N 3.14Å; V976-S978 VanDerWaalsContact C-N 3.32Å; V976-S978 PolarHBondContact O-N 3.45Å; V976-F1042 HydrophobicContact CG1-CZ 3.84Å; V976-F1042 HydrophobicContact CG2-CE2 4.25Å; V976-F1042 HydrophobicContact CG2-CZ 4.22Å
977L80.6Confident87.8Confident72 Ų7219.2 Ų19.238%0.37710%0.102SC..THydrogen-bonded Turntrans55.445.3-178.1-56171.9000112.3N454 V456 L973 Y974N454-L977 HydrophobicContact CB-CD1 4.23Å; N454-L977 HydrophobicContact CB-CD2 4.34Å; V456-L977 HydrophobicContact CG2-CD2 3.99Å; L973-L977 PolarHBondContact O-N 3.46Å; Y974-L977 PolarHBondContact O-N 2.82Å
978S85.4Confident87.7Confident3 Ų317.9 Ų17.92%0.02110%0.096CC..  trans-131.4163.5177.9-1780000110.2L973 Y974 V976 N1079 N1082L973-S978 CarbonylContact C-O 3.15Å; L973-S978 VanDerWaalsContact CB-O 3.31Å; L973-S978 WeakPolarHBondContact CB-O 3.2Å; L973-S978 PolarHBondContact O-N 3.48Å; L973-S978 VanDerWaalsContact O-N 3.09Å; Y974-S978 VanDerWaalsContact CD1-O 3.23Å; Y974-S978 WeakPolarHBondContact CD1-O 3.2Å; Y974-S978 PolarHBondContact N-O 2.89Å; V976-S978 VanDerWaalsContact C-N 3.32Å; V976-S978 PolarHBondContact O-N 3.45Å; S978-N1079 WeakPolarHBondContact CB-O 3.48Å; S978-N1079 PolarHBondContact OG-O 3.35Å; S978-N1082 WeakPolarHBondContact CB-ND2 3.41Å; S978-N1082 PolarHBondContact OG-ND2 2.95Å
979N86.4Confident87.5Confident8 Ų818 Ų184%0.04310%0.097CC..  trans-138.2171.3174.4-156.20.2000111.1Y250 V970 Y974Y250-N979 PolarHBondContact OH-ND2 3.02Å; V970-N979 WeakPolarHBondContact CG1-OD1 3.15Å; Y974-N979 HydrophobicContact CE1-CB 4.04Å; Y974-N979 PolarHBondContact OH-ND2 3.4Å
980L86.8Confident87.2Confident0 Ų020.5 Ų20.50%011%0.11CC..  trans-70.4146.2167.9-69.6165.7000109.9V970 L973 F985 N1085V970-L980 HydrophobicContact CG2-CD1 3.85Å; V970-L980 HydrophobicContact CG2-CG 4.37Å; L973-L980 HydrophobicContact CD1-CD2 4.06Å; L973-L980 HydrophobicContact CD1-CG 3.93Å; L980-F985 HydrophobicContact CB-CD1 4.41Å; L980-F985 HydrophobicContact CB-CD2 4.14Å; L980-F985 HydrophobicContact CB-CE1 3.99Å; L980-F985 HydrophobicContact CB-CE2 3.7Å; L980-F985 HydrophobicContact CB-CG 4.49Å; L980-F985 HydrophobicContact CB-CZ 3.63Å; L980-F985 HydrophobicContact CD1-CD1 4.21Å; L980-F985 HydrophobicContact CD1-CE1 3.62Å; L980-F985 HydrophobicContact CD1-CZ 3.99Å; L980-F985 HydrophobicContact CG-CE1 4.42Å; L980-F985 HydrophobicContact CG-CZ 4.36Å; L980-F985 WeakPolarHBondContact O-CE2 3.38Å; L980-N1085 VanDerWaalsContact CD2-OD1 3.31Å; L980-N1085 WeakPolarHBondContact CD2-OD1 3.41Å
981G85.1Confident87.1Confident0 Ų022 Ų220%012%0.122CC..  trans-76158.3177.600000113.5F983 Q984 F985 E1146G981-F983 VanDerWaalsContact C-N 3.34Å; G981-F983 PolarHBondContact O-N 3.13Å; G981-Q984 WeakPolarHBondContact O-CA 3.19Å; G981-Q984 WeakPolarHBondContact O-CB 3.28Å; G981-Q984 PolarHBondContact O-N 3.41Å; G981-F985 PolarHBondContact O-N 3.21Å; G981-E1146 WeakPolarHBondContact CA-OE2 3.45Å
982D84.6Confident87.3Confident22 Ų2220.9 Ų20.912%0.11812%0.115CC..Hα-helixtrans-52.8-49.2-179.7-68.642.8000112.6Y250 Q984 F985 L986Y250-D982 WeakPolarHBondContact CA-OD2 3.46Å; Y250-D982 WeakPolarHBondContact CD1-OD1 3.33Å; Y250-D982 WeakPolarHBondContact CE1-OD1 3.47Å; D982-Q984 VanDerWaalsContact C-N 3.28Å; D982-Q984 PolarHBondContact O-N 2.99Å; D982-F985 PolarHBondContact O-N 3.15Å; D982-L986 WeakPolarHBondContact O-CB 3.35Å; D982-L986 PolarHBondContact O-N 3.42Å
983F87.7Confident87.4Confident43 Ų4319.7 Ų19.719%0.18911%0.109CC..Hα-helixtrans-73.1-24.8-177.7-67.7-65.9000111.7Y252 G981 F987 Y1144 L1145Y252-F983 HydrophobicContact CD2-CZ 4.18Å; Y252-F983 HydrophobicContact CE2-CZ 4.38Å; Y252-F983 HydrophobicContact CG-CZ 4.29Å; G981-F983 VanDerWaalsContact C-N 3.34Å; G981-F983 PolarHBondContact O-N 3.13Å; F983-F987 WeakPolarHBondContact O-CB 3.27Å; F983-F987 PolarHBondContact O-N 3.38Å; F983-Y1144 HydrophobicContact CB-CD1 4.32Å; F983-Y1144 HydrophobicContact CB-CE1 4.05Å; F983-Y1144 WeakPolarHBondContact CB-O 3.32Å; F983-Y1144 HydrophobicContact CD1-CD1 4.5Å; F983-Y1144 AromaticContact CD1-CE1 3.68Å; F983-Y1144 HydrophobicContact CD1-CE1 3.68Å; F983-Y1144 AromaticContact CD1-CE2 3.73Å; F983-Y1144 HydrophobicContact CD1-CE2 3.73Å; F983-Y1144 AromaticContact CD1-CZ 3.23Å; F983-Y1144 WeakPolarHBondContact CD1-OH 3.23Å; F983-Y1144 HydrophobicContact CD2-CE2 4.44Å; F983-Y1144 VanDerWaalsContact CD2-O 3.26Å; F983-Y1144 WeakPolarHBondContact CD2-O 3.39Å; F983-Y1144 HydrophobicContact CE1-CE1 4.34Å; F983-Y1144 AromaticContact CE1-CE2 3.56Å; F983-Y1144 HydrophobicContact CE1-CE2 3.56Å; F983-Y1144 AromaticContact CE1-CZ 3.45Å; F983-Y1144 VanDerWaalsContact CE1-CZ 3.45Å; F983-Y1144 WeakPolarHBondContact CE1-OH 3.32Å; F983-Y1144 HydrophobicContact CE2-CE2 4.3Å; F983-Y1144 HydrophobicContact CG-CD1 4.37Å; F983-Y1144 AromaticContact CG-CE1 3.95Å; F983-Y1144 HydrophobicContact CG-CE1 3.95Å; F983-Y1144 HydrophobicContact CG-CE2 4.17Å; F983-Y1144 AromaticContact CG-CZ 3.86Å; F983-Y1144 WeakPolarHBondContact CG-O 3.5Å; F983-Y1144 AromaticContact CZ-CE2 3.87Å; F983-Y1144 HydrophobicContact CZ-CE2 3.87Å; F983-L1145 HydrophobicContact CB-CD2 4.34Å
984Q90.8Very high87.3Confident0 Ų021.5 Ų21.50%012%0.118CC..Hα-helixtrans-68.7-47.1171-60.6176.5-13.300110.3G981 D982 L986 F987 I988 N1085 F1089 L1145G981-Q984 WeakPolarHBondContact O-CA 3.19Å; G981-Q984 WeakPolarHBondContact O-CB 3.28Å; G981-Q984 PolarHBondContact O-N 3.41Å; D982-Q984 VanDerWaalsContact C-N 3.28Å; D982-Q984 PolarHBondContact O-N 2.99Å; Q984-L986 PolarHBondContact O-N 2.83Å; Q984-F987 PolarHBondContact O-N 3.36Å; Q984-I988 WeakPolarHBondContact O-CD1 3.01Å; Q984-I988 VanDerWaalsContact O-CG1 3.23Å; Q984-I988 WeakPolarHBondContact O-CG1 3.43Å; Q984-I988 PolarHBondContact O-N 3.08Å; Q984-N1085 PolarHBondContact OE1-ND2 2.82Å; Q984-N1085 PolarHBondContact OE1-OD1 3.31Å; Q984-F1089 HydrophobicContact CB-CD2 3.88Å; Q984-F1089 HydrophobicContact CB-CE2 3.77Å; Q984-F1089 HydrophobicContact CG-CD2 3.98Å; Q984-F1089 HydrophobicContact CG-CE2 3.98Å; Q984-L1145 WeakPolarHBondContact CG-O 3.44Å; Q984-L1145 PolarHBondContact NE2-O 3.45Å
985F87.9Confident87.6Confident8 Ų823.9 Ų23.94%0.03513%0.134CC..Hα-helixtrans-59-46.9173.5-78.4-56.5000112.1Y253 Q966 V970 L980 G981 D982 F987 I988 D989Y253-F985 HydrophobicContact CD2-CB 4.05Å; Y253-F985 HydrophobicContact CE2-CB 4.2Å; Y253-F985 HydrophobicContact CG-CB 4.38Å; Q966-F985 HydrophobicContact CG-CE1 4.16Å; Q966-F985 VanDerWaalsContact NE2-CE1 3.29Å; V970-F985 HydrophobicContact CG2-CE1 4.22Å; V970-F985 HydrophobicContact CG2-CZ 3.97Å; L980-F985 HydrophobicContact CB-CD1 4.41Å; L980-F985 HydrophobicContact CB-CD2 4.14Å; L980-F985 HydrophobicContact CB-CE1 3.99Å; L980-F985 HydrophobicContact CB-CE2 3.7Å; L980-F985 HydrophobicContact CB-CG 4.49Å; L980-F985 HydrophobicContact CB-CZ 3.63Å; L980-F985 HydrophobicContact CD1-CD1 4.21Å; L980-F985 HydrophobicContact CD1-CE1 3.62Å; L980-F985 HydrophobicContact CD1-CZ 3.99Å; L980-F985 HydrophobicContact CG-CE1 4.42Å; L980-F985 HydrophobicContact CG-CZ 4.36Å; L980-F985 WeakPolarHBondContact O-CE2 3.38Å; G981-F985 PolarHBondContact O-N 3.21Å; D982-F985 PolarHBondContact O-N 3.15Å; F985-F987 VanDerWaalsContact C-N 3.34Å; F985-F987 PolarHBondContact O-N 3.41Å; F985-I988 PolarHBondContact O-N 2.98Å; F985-D989 PolarHBondContact O-N 3.19Å
986L87.8Confident88Confident40 Ų4022 Ų2221%0.20912%0.121CC..Hα-helixtrans-62.7-41.6179.1-171.7143.1000111.9A256 D982 Q984 I990A256-L986 HydrophobicContact CB-CD1 3.83Å; D982-L986 WeakPolarHBondContact O-CB 3.35Å; D982-L986 PolarHBondContact O-N 3.42Å; Q984-L986 PolarHBondContact O-N 2.83Å; L986-I990 HydrophobicContact CD1-CD1 4.36Å; L986-I990 HydrophobicContact CD2-CD1 4.37Å; L986-I990 HydrophobicContact CG-CD1 3.92Å; L986-I990 HydrophobicContact CG-CG1 4.47Å; L986-I990 VanDerWaalsContact O-CB 3.31Å; L986-I990 WeakPolarHBondContact O-CB 3.2Å; L986-I990 PolarHBondContact O-N 3.01Å
987F90.9Very high88.4Confident27 Ų2720.4 Ų20.412%0.11811%0.111CC..Iπ-helixtrans-64.8-44176.4-179.5-101.1000111.8F983 Q984 F985 A991 I992 F1089 F1129 L1130 L1145F983-F987 WeakPolarHBondContact O-CB 3.27Å; F983-F987 PolarHBondContact O-N 3.38Å; Q984-F987 PolarHBondContact O-N 3.36Å; F985-F987 VanDerWaalsContact C-N 3.34Å; F985-F987 PolarHBondContact O-N 3.41Å; F987-A991 HydrophobicContact CD2-CB 3.64Å; F987-A991 HydrophobicContact CE2-CB 3.76Å; F987-A991 HydrophobicContact CG-CB 4.3Å; F987-A991 WeakPolarHBondContact O-CA 3.48Å; F987-A991 WeakPolarHBondContact O-CB 3.45Å; F987-A991 PolarHBondContact O-N 3.47Å; F987-I992 HydrophobicContact CD1-CD1 4.22Å; F987-I992 HydrophobicContact CE1-CD1 3.79Å; F987-I992 HydrophobicContact CE1-CG1 4.1Å; F987-I992 HydrophobicContact CZ-CG1 4.46Å; F987-I992 PolarHBondContact O-N 3.33Å; F987-I992 VanDerWaalsContact O-N 3.16Å; F987-F1089 HydrophobicContact CD1-CE2 4.3Å; F987-F1089 AromaticContact CD1-CZ 3.82Å; F987-F1089 HydrophobicContact CD1-CZ 3.82Å; F987-F1089 HydrophobicContact CE1-CZ 4.23Å; F987-F1129 HydrophobicContact CE2-CD1 4.07Å; F987-F1129 AromaticContact CE2-CE1 3.56Å; F987-F1129 HydrophobicContact CE2-CE1 3.56Å; F987-F1129 AromaticContact CZ-CD1 3.77Å; F987-F1129 HydrophobicContact CZ-CD1 3.77Å; F987-F1129 AromaticContact CZ-CE1 3.57Å; F987-F1129 HydrophobicContact CZ-CE1 3.57Å; F987-L1130 HydrophobicContact CE1-CD2 3.79Å; F987-L1130 HydrophobicContact CZ-CD2 4.13Å; F987-L1145 HydrophobicContact CB-CD2 4.1Å; F987-L1145 HydrophobicContact CG-CD2 4.38Å
988I90.9Very high88.8Confident0 Ų020.2 Ų20.20%011%0.107CC..Iπ-helixtrans-60.1-58176-68.7163.9000109.9Q984 F985 I992 I993 F1089 Y1096Q984-I988 WeakPolarHBondContact O-CD1 3.01Å; Q984-I988 VanDerWaalsContact O-CG1 3.23Å; Q984-I988 WeakPolarHBondContact O-CG1 3.43Å; Q984-I988 PolarHBondContact O-N 3.08Å; F985-I988 PolarHBondContact O-N 2.98Å; I988-I992 WeakPolarHBondContact O-CB 3.27Å; I988-I992 PolarHBondContact O-N 3.01Å; I988-I993 HydrophobicContact CG2-CG1 4.15Å; I988-I993 WeakPolarHBondContact O-CG1 3.15Å; I988-I993 PolarHBondContact O-N 3.23Å; I988-F1089 HydrophobicContact CD1-CD2 4.33Å; I988-F1089 HydrophobicContact CD1-CE2 4.26Å; I988-F1089 HydrophobicContact CG1-CE2 4.26Å; I988-Y1096 HydrophobicContact CB-CE2 4.36Å; I988-Y1096 HydrophobicContact CD1-CE2 4.11Å; I988-Y1096 HydrophobicContact CG1-CE2 4Å; I988-Y1096 HydrophobicContact CG2-CD2 3.98Å; I988-Y1096 HydrophobicContact CG2-CE2 3.45Å; I988-Y1096 VanDerWaalsContact CG2-CE2 3.45Å
989D87.9Confident89.2Confident15 Ų1521.1 Ų21.18%0.0811%0.112CC..Iπ-helixtrans-72-39.6-169.3-81.99.4000113.2Y253 F985 L994Y253-D989 PolarHBondContact OH-OD2 2.86Å; Y253-D989 VanDerWaalsContact OH-OD2 3.07Å; F985-D989 PolarHBondContact O-N 3.19Å; D989-L994 WeakPolarHBondContact O-CB 3.43Å; D989-L994 PolarHBondContact O-N 3.41Å
990I86.4Confident89.4Confident52 Ų5220.8 Ų20.827%0.26711%0.111SC..Iπ-helixtrans-92.4-51.6-176.5-56-174.1000111.6A256 L986 L994A256-I990 HydrophobicContact CB-CD1 3.83Å; L986-I990 HydrophobicContact CD1-CD1 4.36Å; L986-I990 HydrophobicContact CD2-CD1 4.37Å; L986-I990 HydrophobicContact CG-CD1 3.92Å; L986-I990 HydrophobicContact CG-CG1 4.47Å; L986-I990 VanDerWaalsContact O-CB 3.31Å; L986-I990 WeakPolarHBondContact O-CB 3.2Å; L986-I990 PolarHBondContact O-N 3.01Å; I990-L994 HydrophobicContact CG2-CD2 4.25Å; I990-L994 VanDerWaalsContact O-CB 3.31Å; I990-L994 WeakPolarHBondContact O-CB 3.46Å
991A89.3Confident89.5Confident31 Ų3120.8 Ų20.826%0.25611%0.111SC..Iπ-helixtrans-75.5-41.3-173.300000111.8F987 V995F987-A991 HydrophobicContact CD2-CB 3.64Å; F987-A991 HydrophobicContact CE2-CB 3.76Å; F987-A991 HydrophobicContact CG-CB 4.3Å; F987-A991 WeakPolarHBondContact O-CA 3.48Å; F987-A991 WeakPolarHBondContact O-CB 3.45Å; F987-A991 PolarHBondContact O-N 3.47Å; A991-V995 WeakPolarHBondContact O-CG2 3.42Å
992I92.6Very high89.8Confident0 Ų023.7 Ų23.70%013%0.126CC..Iπ-helixtrans-89.6-67.4-179.4-54.8177.4000111F987 I988 I996 L1097 L1130F987-I992 HydrophobicContact CD1-CD1 4.22Å; F987-I992 HydrophobicContact CE1-CD1 3.79Å; F987-I992 HydrophobicContact CE1-CG1 4.1Å; F987-I992 HydrophobicContact CZ-CG1 4.46Å; F987-I992 PolarHBondContact O-N 3.33Å; F987-I992 VanDerWaalsContact O-N 3.16Å; I988-I992 WeakPolarHBondContact O-CB 3.27Å; I988-I992 PolarHBondContact O-N 3.01Å; I992-I996 VanDerWaalsContact O-CB 3.27Å; I992-I996 WeakPolarHBondContact O-CB 3.46Å; I992-I996 WeakPolarHBondContact O-CG1 3.31Å; I992-I996 PolarHBondContact O-N 3.09Å; I992-I996 VanDerWaalsContact O-N 3.1Å; I992-L1097 HydrophobicContact CG2-CD2 3.92Å; I992-L1097 HydrophobicContact CG2-CG 4.41Å; I992-L1130 HydrophobicContact CD1-CD1 4.36Å
993I91.6Very high90Very high4 Ų422.7 Ų22.72%0.02112%0.121CC..Iπ-helixtrans-65.2-51.8-166.4-59.9-55.6000111.4F958 M959 Y962 I988 V995 I996 V997 Y1096F958-I993 HydrophobicContact CE1-CD1 4.01Å; F958-I993 HydrophobicContact CE1-CG2 4.1Å; F958-I993 HydrophobicContact CZ-CD1 3.62Å; M959-I993 HydrophobicContact SD-CG2 4.31Å; Y962-I993 HydrophobicContact CD1-CD1 4.49Å; Y962-I993 HydrophobicContact CD1-CG2 4.21Å; Y962-I993 HydrophobicContact CD2-CD1 4.16Å; Y962-I993 HydrophobicContact CD2-CG1 4.09Å; Y962-I993 HydrophobicContact CE1-CG2 4.1Å; Y962-I993 HydrophobicContact CE2-CG1 4.45Å; Y962-I993 HydrophobicContact CE2-CG2 4.49Å; Y962-I993 HydrophobicContact CG-CD1 3.91Å; Y962-I993 HydrophobicContact CG-CG1 4.26Å; Y962-I993 HydrophobicContact CG-CG2 4.48Å; I988-I993 HydrophobicContact CG2-CG1 4.15Å; I988-I993 WeakPolarHBondContact O-CG1 3.15Å; I988-I993 PolarHBondContact O-N 3.23Å; I993-V995 PolarHBondContact O-N 3.39Å; I993-I996 PolarHBondContact O-N 3.41Å; I993-V997 HydrophobicContact CG2-CG2 4.13Å; I993-V997 WeakPolarHBondContact O-CB 3.34Å; I993-V997 WeakPolarHBondContact O-CG2 3.3Å; I993-V997 PolarHBondContact O-N 2.91Å; I993-Y1096 HydrophobicContact CD1-CD1 4.1Å; I993-Y1096 HydrophobicContact CD1-CG 4Å
994L88.1Confident90.1Very high37 Ų3722.3 Ų22.319%0.19412%0.123CC..Iπ-helixtrans-57.9-50.3-177.4-167.172.4000112.4M260 D989 I990 I996 V997 F998M260-L994 HydrophobicContact CE-CD1 3.54Å; M260-L994 HydrophobicContact CE-CD2 3.51Å; M260-L994 HydrophobicContact CE-CG 4.16Å; M260-L994 HydrophobicContact SD-CD2 4.04Å; D989-L994 WeakPolarHBondContact O-CB 3.43Å; D989-L994 PolarHBondContact O-N 3.41Å; I990-L994 HydrophobicContact CG2-CD2 4.25Å; I990-L994 VanDerWaalsContact O-CB 3.31Å; I990-L994 WeakPolarHBondContact O-CB 3.46Å; L994-I996 PolarHBondContact O-N 3.35Å; L994-V997 PolarHBondContact O-N 2.9Å; L994-F998 HydrophobicContact CD1-CD2 4.07Å; L994-F998 HydrophobicContact CD1-CE2 3.5Å; L994-F998 VanDerWaalsContact CD1-CE2 3.5Å; L994-F998 HydrophobicContact CG-CD2 4.05Å; L994-F998 HydrophobicContact CG-CE2 3.92Å; L994-F998 WeakPolarHBondContact O-CD2 3.46Å; L994-F998 PolarHBondContact O-N 3.19Å
995V91.4Very high90.1Very high59 Ų5922.8 Ų22.836%0.35813%0.127SC..Hα-helixtrans-61.9-45.2-178.8177.10000110.7A991 I993 T999A991-V995 WeakPolarHBondContact O-CG2 3.42Å; I993-V995 PolarHBondContact O-N 3.39Å; V995-T999 HydrophobicContact CG1-CG2 4.49Å; V995-T999 WeakPolarHBondContact O-CB 3.5Å; V995-T999 VanDerWaalsContact O-CG2 3.31Å; V995-T999 WeakPolarHBondContact O-CG2 3.48Å; V995-T999 PolarHBondContact O-N 2.9Å; V995-T999 VanDerWaalsContact O-N 3.08Å; V995-T999 PolarHBondContact O-OG1 3.19Å
996I93.1Very high90.3Very high1 Ų125.4 Ų25.41%0.00514%0.136CC..Hα-helixtrans-66.7-44.9-178.6-71.5-65000111.7F958 I992 I993 L994 F998 T999 M1000 L1097 A1100 F1119 A1123 L1126F958-I996 HydrophobicContact CE1-CG2 4.1Å; F958-I996 HydrophobicContact CE2-CG2 4.33Å; F958-I996 HydrophobicContact CZ-CB 4.49Å; F958-I996 HydrophobicContact CZ-CG2 3.81Å; I992-I996 VanDerWaalsContact O-CB 3.27Å; I992-I996 WeakPolarHBondContact O-CB 3.46Å; I992-I996 WeakPolarHBondContact O-CG1 3.31Å; I992-I996 PolarHBondContact O-N 3.09Å; I992-I996 VanDerWaalsContact O-N 3.1Å; I993-I996 PolarHBondContact O-N 3.41Å; L994-I996 PolarHBondContact O-N 3.35Å; I996-F998 PolarHBondContact O-N 3Å; I996-T999 PolarHBondContact O-N 3.1Å; I996-T999 PolarHBondContact O-OG1 3.18Å; I996-M1000 WeakPolarHBondContact O-CB 3.42Å; I996-M1000 PolarHBondContact O-N 3.49Å; I996-L1097 HydrophobicContact CD1-CD2 4.12Å; I996-L1097 HydrophobicContact CG1-CD2 4.11Å; I996-A1100 HydrophobicContact CG2-CB 3.48Å; I996-A1100 VanDerWaalsContact CG2-CB 3.48Å; I996-F1119 HydrophobicContact CD1-CE2 4.3Å; I996-F1119 HydrophobicContact CG2-CE2 4.23Å; I996-A1123 HydrophobicContact CD1-CB 4.03Å; I996-L1126 HydrophobicContact CD1-CD1 4.05Å; I996-L1126 HydrophobicContact CG1-CD1 3.91Å
997V91.2Very high90.2Very high6 Ų630.8 Ų30.84%0.03616%0.158CC..Hα-helixtrans-58.9-47.8-180166.60000111.9A480 V955 F958 M959 I993 L994 S1001A480-V997 HydrophobicContact CB-CG1 3.47Å; A480-V997 VanDerWaalsContact CB-CG1 3.47Å; V955-V997 HydrophobicContact CG1-CG1 4.19Å; F958-V997 HydrophobicContact CD1-CG2 3.58Å; F958-V997 HydrophobicContact CE1-CG2 3.52Å; M959-V997 HydrophobicContact SD-CG2 3.57Å; M959-V997 VanDerWaalsContact SD-CG2 3.57Å; I993-V997 HydrophobicContact CG2-CG2 4.13Å; I993-V997 WeakPolarHBondContact O-CB 3.34Å; I993-V997 WeakPolarHBondContact O-CG2 3.3Å; I993-V997 PolarHBondContact O-N 2.91Å; L994-V997 PolarHBondContact O-N 2.9Å; V997-S1001 WeakPolarHBondContact O-CB 3.41Å; V997-S1001 PolarHBondContact O-N 3.42Å; V997-S1001 PolarHBondContact O-OG 3.27Å
998F89.7Confident90Very high69 Ų6936.2 Ų36.230%0.30318%0.184SC..Hα-helixtrans-69.7-42-178.8-77.7-64.5000111.9A483 L994 I996 S1001A483-F998 HydrophobicContact CB-CD1 3.88Å; A483-F998 HydrophobicContact CB-CE1 3.79Å; L994-F998 HydrophobicContact CD1-CD2 4.07Å; L994-F998 HydrophobicContact CD1-CE2 3.5Å; L994-F998 VanDerWaalsContact CD1-CE2 3.5Å; L994-F998 HydrophobicContact CG-CD2 4.05Å; L994-F998 HydrophobicContact CG-CE2 3.92Å; L994-F998 WeakPolarHBondContact O-CD2 3.46Å; L994-F998 PolarHBondContact O-N 3.19Å; I996-F998 PolarHBondContact O-N 3Å; F998-S1001 PolarHBondContact O-N 3.29Å
999T92.4Very high89.9Confident21 Ų2137.1 Ų37.113%0.12919%0.188CC..Hα-helixtrans-69.9-39.1179.354.40000112.3V995 I996 S1001 L1002 N1116 P1118 S1122V995-T999 HydrophobicContact CG1-CG2 4.49Å; V995-T999 WeakPolarHBondContact O-CB 3.5Å; V995-T999 VanDerWaalsContact O-CG2 3.31Å; V995-T999 WeakPolarHBondContact O-CG2 3.48Å; V995-T999 PolarHBondContact O-N 2.9Å; V995-T999 VanDerWaalsContact O-N 3.08Å; V995-T999 PolarHBondContact O-OG1 3.19Å; I996-T999 PolarHBondContact O-N 3.1Å; I996-T999 PolarHBondContact O-OG1 3.18Å; T999-S1001 PolarHBondContact O-N 2.93Å; T999-L1002 WeakPolarHBondContact O-CB 3.26Å; T999-L1002 PolarHBondContact O-N 3.39Å; T999-N1116 PolarHBondContact O-ND2 3.37Å; T999-P1118 HydrophobicContact CG2-CB 4.3Å; T999-S1122 PolarHBondContact OG1-OG 3.14Å; T999-S1122 VanDerWaalsContact OG1-OG 3.1Å
1000M90.9Very high89.7Confident1 Ų138.5 Ų38.51%0.00520%0.197CC..Hα-helixtrans-60.9-31.9174.5-179.7180176.400112.5C954 I996 L1002 F1103 S1104 F1119C954-M1000 HydrophobicContact CB-CE 3.43Å; C954-M1000 VanDerWaalsContact CB-CE 3.43Å; I996-M1000 WeakPolarHBondContact O-CB 3.42Å; I996-M1000 PolarHBondContact O-N 3.49Å; M1000-L1002 PolarHBondContact O-N 2.85Å; M1000-F1103 HydrophobicContact CE-CB 4.15Å; M1000-S1104 WeakPolarHBondContact CE-OG 3.32Å; M1000-S1104 WeakPolarHBondContact CG-OG 3.14Å; M1000-F1119 HydrophobicContact CB-CD2 3.86Å; M1000-F1119 HydrophobicContact CB-CE2 3.95Å; M1000-F1119 HydrophobicContact CG-CE2 4.38Å
1001S90.3Very high89.5Confident1 Ų138.4 Ų38.41%0.00720%0.201CC..THydrogen-bonded Turntrans-72.8-11.6179.4-62.30000114.4V955 V997 F998 T999 N1003V955-S1001 WeakPolarHBondContact CG2-OG 3.39Å; V997-S1001 WeakPolarHBondContact O-CB 3.41Å; V997-S1001 PolarHBondContact O-N 3.42Å; V997-S1001 PolarHBondContact O-OG 3.27Å; F998-S1001 PolarHBondContact O-N 3.29Å; T999-S1001 PolarHBondContact O-N 2.93Å; S1001-N1003 VanDerWaalsContact C-N 3.3Å; S1001-N1003 PolarHBondContact O-N 2.91Å
1002L90.8Very high89Confident61 Ų6139.8 Ų39.832%0.31920%0.2SC..THydrogen-bonded Turntrans-82.5-1.4-178.9-66.9170000114.1Y487 T999 M1000 P1004 P1118Y487-L1002 HydrophobicContact CD1-CD2 3.92Å; Y487-L1002 HydrophobicContact CD2-CD2 3.62Å; Y487-L1002 HydrophobicContact CD2-CG 4.23Å; Y487-L1002 HydrophobicContact CE1-CD2 4Å; Y487-L1002 HydrophobicContact CE2-CD2 3.69Å; Y487-L1002 HydrophobicContact CE2-CG 4.09Å; Y487-L1002 HydrophobicContact CG-CD2 3.74Å; T999-L1002 WeakPolarHBondContact O-CB 3.26Å; T999-L1002 PolarHBondContact O-N 3.39Å; M1000-L1002 PolarHBondContact O-N 2.85Å; L1002-P1004 WeakPolarHBondContact O-CD 3.4Å; L1002-P1118 HydrophobicContact CD1-CB 4.15Å; L1002-P1118 HydrophobicContact CD1-CG 4.37Å
1003N88.7Confident88.6Confident1 Ų143.8 Ų43.81%0.00522%0.215CC..PPolyproline II helixtrans-56.4125-178.4-92.61.3000112.1S1001 N1116S1001-N1003 VanDerWaalsContact C-N 3.3Å; S1001-N1003 PolarHBondContact O-N 2.91Å; N1003-N1116 PolarHBondContact N-ND2 2.94Å; N1003-N1116 WeakPolarHBondContact OD1-CB 3.12Å; N1003-N1116 PolarHBondContact OD1-ND2 3.33Å
1004P89.2Confident88.1Confident35 Ų3543.9 Ų43.923%0.22722%0.215CC..PPolyproline II helixtrans-76.7160177.829-32.4000112.5L1002 Q1111L1002-P1004 WeakPolarHBondContact O-CD 3.4Å; P1004-Q1111 HydrophobicContact CB-CG 4.49Å; P1004-Q1111 HydrophobicContact CG-CB 3.99Å; P1004-Q1111 HydrophobicContact CG-CG 3.93Å; P1004-Q1111 PolarHBondContact O-N 3.21Å
1005A91.3Very high87.5Confident10 Ų1043.7 Ų43.78%0.08322%0.217CC..BIsolated β-bridgetrans-66.8151.7176.800000112.9R943 E944 A947 Q1111R943-A1005 HydrophobicContact CB-CB 4.42Å; E944-A1005 HydrophobicContact CG-CB 4.36Å; E944-A1005 WeakPolarHBondContact OE1-CB 3.43Å; A947-A1005 HydrophobicContact CB-CB 3.58Å; A1005-Q1111 VanDerWaalsContact O-CG 3.3Å; A1005-Q1111 WeakPolarHBondContact O-CG 3.08Å; A1005-Q1111 PolarHBondContact O-NE2 2.71Å
1006W90.9Very high86.3Confident63 Ų6343.6 Ų43.624%0.23922%0.219CC..PPolyproline II helixtrans-65.2145.1170.5-170.3-110.6000110.7E1008 K1107 P1108 F1109 Q1111W1006-E1008 VanDerWaalsContact CD1-O 3.28Å; W1006-E1008 PolarHBondContact O-N 2.83Å; W1006-K1107 HydrophobicContact CE3-CG 4.5Å; W1006-K1107 HydrophobicContact CH2-CD 4.47Å; W1006-K1107 HydrophobicContact CH2-CG 4.41Å; W1006-K1107 HydrophobicContact CZ3-CG 4.19Å; W1006-P1108 WeakPolarHBondContact CB-O 3.43Å; W1006-F1109 PolarHBondContact N-O 3.5Å; W1006-Q1111 HydrophobicContact CE3-CG 4.43Å
1007K87.1Confident85.3Confident153 Ų15343.9 Ų43.967%0.66522%0.222SC*.SBendtrans-68.6-35.4-172.8-69.7-171.3174.6-171.10112.8R943R943-K1007 WeakPolarHBondContact CD-O 3.47Å; R943-K1007 PolarHBondContact NE-O 3.21Å; R943-K1007 PolarHBondContact NH1-O 3.39Å; R943-K1007 VanDerWaalsContact NH1-O 3.1Å
1008E87.2Confident84.3Confident141 Ų14144.1 Ų44.166%0.65922%0.223SC*.SBendtrans-101.2149.3-177-67.6172.9179.100111.4W1006 V1010W1006-E1008 VanDerWaalsContact CD1-O 3.28Å; W1006-E1008 PolarHBondContact O-N 2.83Å; E1008-V1010 PolarHBondContact O-N 2.75Å
1009L87.1Confident83.4Confident18 Ų1844.3 Ų44.39%0.09423%0.226CC..  trans-87108.4176.1-169.765.9000109.6L757 A760 I762 P939 I942 R943 R946L757-L1009 HydrophobicContact CD2-CD2 3.99Å; A760-L1009 HydrophobicContact CB-CB 4.23Å; A760-L1009 HydrophobicContact CB-CD2 3.5Å; A760-L1009 HydrophobicContact CB-CG 3.53Å; I762-L1009 HydrophobicContact CD1-CD2 3.7Å; P939-L1009 HydrophobicContact CB-CD2 4.33Å; I942-L1009 HydrophobicContact CB-CD1 4.21Å; I942-L1009 HydrophobicContact CG2-CD1 3.72Å; R943-L1009 HydrophobicContact CG-CB 4.26Å; R943-L1009 HydrophobicContact CG-CD1 3.8Å; R946-L1009 VanDerWaalsContact NH1-CD1 3.3Å
1010V85.4Confident82.4Confident44 Ų4444.6 Ų44.627%0.26723%0.229SC..  trans-81.1143.4-177.1-175.60000110.7R946 E1008 R1012 P1108R946-V1010 PolarHBondContact NH1-O 3.13Å; E1008-V1010 PolarHBondContact O-N 2.75Å; V1010-R1012 HydrophobicContact CG1-CB 3.97Å; V1010-R1012 PolarHBondContact O-N 3.07Å; V1010-R1012 VanDerWaalsContact O-N 3.13Å; V1010-P1108 HydrophobicContact CB-CB 4.48Å; V1010-P1108 HydrophobicContact CG1-CB 4.18Å; V1010-P1108 HydrophobicContact CG2-CB 4.11Å
1011S81Confident81.6Confident50 Ų5047 Ų4735%0.3525%0.254SS..SBendtrans-58.8-28.3177.1163.70000114.3A760 N761A760-S1011 WeakPolarHBondContact O-CA 3.42Å; N761-S1011 PolarHBondContact ND2-OG 2.94Å
1012R79.9Confident80.9Confident60 Ų6048.4 Ų48.423%0.22626%0.263CS..PPolyproline II helixtrans-65.6138.6-179.3-163.5168.9-179-135.8-41.9112R946 V1010 F1109 W1182R946-R1012 PolarHBondContact NH1-O 2.9Å; V1010-R1012 HydrophobicContact CG1-CB 3.97Å; V1010-R1012 PolarHBondContact O-N 3.07Å; V1010-R1012 VanDerWaalsContact O-N 3.13Å; R1012-F1109 HydrophobicContact CB-CZ 4.19Å; R1012-F1109 HydrophobicContact CG-CZ 4.08Å; R1012-F1109 WeakPolarHBondContact O-CE1 3.42Å; R1012-W1182 VanDerWaalsContact CZ-CE2 3.44Å; R1012-W1182 VanDerWaalsContact NH1-CD2 3.3Å; R1012-W1182 VanDerWaalsContact NH1-CE3 3.26Å; R1012-W1182 VanDerWaalsContact NH1-CZ3 3.31Å
1013R82.9Confident80.2Confident85 Ų8546.7 Ų46.732%0.32125%0.254SS..PPolyproline II helixtrans-101.3146.6172.7-67.8-178.8-73.8169.2-5.4111.7N512 Y1225N512-R1013 VanDerWaalsContact CB-NH1 3.28Å; N512-R1013 PolarHBondContact ND2-NH1 3.07Å; R1013-Y1225 PolarHBondContact NH2-OH 3Å
1014P82.6Confident79.8Confident5 Ų550.7 Ų50.73%0.03228%0.275CS..PPolyproline II helixtrans-61.8157.7167.5-22.534.4000111.9G509 Q510 R946 L949 I950 F1109G509-P1014 WeakPolarHBondContact O-CD 3.46Å; Q510-P1014 PolarHBondContact NE2-O 3.06Å; R946-P1014 HydrophobicContact CB-CG 4.01Å; R946-P1014 HydrophobicContact CG-CG 3.92Å; L949-P1014 HydrophobicContact CD2-CB 3.89Å; L949-P1014 HydrophobicContact CD2-CG 4.36Å; L949-P1014 HydrophobicContact CG-CB 4.34Å; I950-P1014 HydrophobicContact CD1-CB 3.75Å; I950-P1014 HydrophobicContact CD1-CG 4.27Å; I950-P1014 HydrophobicContact CG1-CB 4.06Å; I950-P1014 HydrophobicContact CG1-CG 4.08Å; P1014-F1109 HydrophobicContact CG-CD1 4.25Å; P1014-F1109 HydrophobicContact CG-CE1 4Å; P1014-F1109 HydrophobicContact CG-CE2 4.39Å; P1014-F1109 HydrophobicContact CG-CZ 4.07Å
1015P75.4Confident79.6Confident34 Ų3452.8 Ų52.822%0.22128%0.281CS..PPolyproline II helixtrans-56.4145.9169.5-22.232.8000112.1Q510 F953 L1023Q510-P1015 PolarHBondContact NE2-O 2.87Å; Q510-P1015 VanDerWaalsContact NE2-O 3.12Å; F953-P1015 HydrophobicContact CE2-CB 4.05Å; F953-P1015 HydrophobicContact CE2-CG 4.34Å; F953-P1015 WeakPolarHBondContact CE2-O 3.49Å; F953-P1015 HydrophobicContact CZ-CB 4.47Å; F953-P1015 WeakPolarHBondContact CZ-O 3.49Å; P1015-L1023 HydrophobicContact CB-CD1 4.27Å; P1015-L1023 HydrophobicContact CG-CD1 4.32Å
1016S65.7Low79.3Confident57 Ų5752.3 Ų52.340%0.39928%0.277SS..SBendtrans-85-12.3-177.154.10000114.8
1017G72.3Confident79Confident7 Ų749.7 Ų49.77%0.07227%0.268CS..SBendtrans-148.3160.4-178.900000112.5D428D428-G1017 WeakPolarHBondContact OD2-CA 3.44Å
1018L70.5Confident79.1Confident11 Ų1146.8 Ų46.86%0.05826%0.259CS..SBendtrans-70.8-36-179.8-75.2162.9000111.4L425 D428 A429 F953 F956 S1020L425-L1018 HydrophobicContact CD1-CD1 3.75Å; L425-L1018 HydrophobicContact CD1-CD2 3.95Å; L425-L1018 HydrophobicContact CD1-CG 3.59Å; L425-L1018 HydrophobicContact CG-CD1 4.28Å; L425-L1018 VanDerWaalsContact O-CD1 3.26Å; L425-L1018 WeakPolarHBondContact O-CD1 3.16Å; D428-L1018 HydrophobicContact CB-CB 3.82Å; D428-L1018 HydrophobicContact CB-CD1 4.29Å; D428-L1018 HydrophobicContact CB-CG 4.44Å; D428-L1018 PolarHBondContact OD2-N 2.91Å; A429-L1018 HydrophobicContact CB-CD1 3.71Å; F953-L1018 HydrophobicContact CD1-CD2 3.33Å; F953-L1018 HydrophobicContact CD1-CG 4.1Å; F953-L1018 HydrophobicContact CE1-CD2 3.72Å; F953-L1018 HydrophobicContact CE1-CG 3.97Å; F953-L1018 HydrophobicContact CG-CD2 4.39Å; F956-L1018 HydrophobicContact CB-CD2 4Å; F956-L1018 HydrophobicContact CD1-CD1 4.43Å; F956-L1018 HydrophobicContact CD1-CD2 3.5Å; F956-L1018 HydrophobicContact CD1-CG 4.46Å; F956-L1018 HydrophobicContact CD2-CD1 4.03Å; F956-L1018 HydrophobicContact CD2-CD2 4.28Å; F956-L1018 HydrophobicContact CE1-CB 4.44Å; F956-L1018 HydrophobicContact CE1-CD1 4.3Å; F956-L1018 HydrophobicContact CE1-CD2 3.9Å; F956-L1018 HydrophobicContact CE1-CG 4.45Å; F956-L1018 HydrophobicContact CE2-CD1 3.9Å; F956-L1018 HydrophobicContact CG-CD1 4.26Å; F956-L1018 HydrophobicContact CG-CD2 3.66Å; F956-L1018 HydrophobicContact CZ-CD1 3.99Å; F956-L1018 HydrophobicContact CZ-CD2 4.41Å; L1018-S1020 PolarHBondContact O-N 3Å
1019I70.3Confident79.2Confident73 Ų7341.1 Ų41.137%0.37423%0.234SC..SBendtrans-86.747.3-179.3-53.1163.8000109.2D428 L431D428-I1019 HydrophobicContact CB-CD1 4.01Å; D428-I1019 HydrophobicContact CB-CG1 4.12Å; L431-I1019 HydrophobicContact CB-CD1 3.96Å; L431-I1019 HydrophobicContact CD2-CD1 3.5Å; L431-I1019 VanDerWaalsContact CD2-CD1 3.5Å; L431-I1019 HydrophobicContact CG-CD1 3.82Å
1020S71.3Confident79.4Confident26 Ų2640.2 Ų40.218%0.18223%0.229CC..  trans-87.1138.2168.265.30000109.3L1018 P1022 L1023 L1024L1018-S1020 PolarHBondContact O-N 3Å; S1020-P1022 VanDerWaalsContact C-CD 3.46Å; S1020-P1022 VanDerWaalsContact C-N 3.32Å; S1020-L1023 PolarHBondContact O-N 3.34Å; S1020-L1023 WeakPolarHBondContact OG-CD1 3.23Å; S1020-L1023 WeakPolarHBondContact OG-CG 3.29Å; S1020-L1024 PolarHBondContact O-N 3.25Å
1021G74.2Confident79.7Confident51 Ų5139.6 Ų39.653%0.52622%0.224SC..Hα-helixtrans-47.7-45.6-177.400000114.4L1023 L1024 F1025G1021-L1023 PolarHBondContact O-N 2.87Å; G1021-L1024 PolarHBondContact O-N 3.45Å; G1021-F1025 VanDerWaalsContact O-CB 3.27Å; G1021-F1025 WeakPolarHBondContact O-CB 3.34Å; G1021-F1025 PolarHBondContact O-N 3.11Å
1022P74.9Confident80.3Confident32 Ų3242 Ų4221%0.20823%0.233CC..Hα-helixtrans-63.6-38177-21.832.3000114.3S1020 S1026 L1177 L1181S1020-P1022 VanDerWaalsContact C-CD 3.46Å; S1020-P1022 VanDerWaalsContact C-N 3.32Å; P1022-S1026 VanDerWaalsContact O-CB 3.25Å; P1022-S1026 WeakPolarHBondContact O-CB 3.47Å; P1022-S1026 PolarHBondContact O-N 3.26Å; P1022-L1177 HydrophobicContact CB-CD2 4.37Å; P1022-L1177 VanDerWaalsContact O-CD2 3.31Å; P1022-L1177 WeakPolarHBondContact O-CD2 3.09Å; P1022-L1181 HydrophobicContact CB-CD2 3.66Å; P1022-L1181 HydrophobicContact CG-CD2 3.65Å
1023L76.7Confident80.9Confident25 Ų2540.3 Ų40.313%0.13123%0.228CC..Hα-helixtrans-70.7-43.1179-61.9176.6000110.7F953 P1015 S1020 G1021 S1026 V1027F953-L1023 HydrophobicContact CD2-CD1 4.26Å; F953-L1023 HydrophobicContact CE2-CD1 4.46Å; F953-L1023 HydrophobicContact CG-CD1 4.3Å; P1015-L1023 HydrophobicContact CB-CD1 4.27Å; P1015-L1023 HydrophobicContact CG-CD1 4.32Å; S1020-L1023 PolarHBondContact O-N 3.34Å; S1020-L1023 WeakPolarHBondContact OG-CD1 3.23Å; S1020-L1023 WeakPolarHBondContact OG-CG 3.29Å; G1021-L1023 PolarHBondContact O-N 2.87Å; L1023-S1026 WeakPolarHBondContact O-CB 3.34Å; L1023-S1026 PolarHBondContact O-N 2.9Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.35Å; L1023-V1027 PolarHBondContact O-N 3Å
1024L80Confident81.5Confident84 Ų8436.3 Ų36.344%0.4421%0.213SC..Hα-helixtrans-65.8-42.9178.5-17268.1000111.6S1020 G1021 S1026 V1027 L1028S1020-L1024 PolarHBondContact O-N 3.25Å; G1021-L1024 PolarHBondContact O-N 3.45Å; L1024-S1026 PolarHBondContact O-N 3.28Å; L1024-V1027 PolarHBondContact O-N 2.97Å; L1024-L1028 WeakPolarHBondContact O-CB 3.48Å; L1024-L1028 PolarHBondContact O-N 2.98Å
1025F84.1Confident82Confident80 Ų8039.2 Ų39.235%0.35123%0.228SC..Hα-helixtrans-62.2-43.2176.3-175.6-93.8000111.6G1021 V1027 L1028 T1029 I1176 L1177 L1181G1021-F1025 VanDerWaalsContact O-CB 3.27Å; G1021-F1025 WeakPolarHBondContact O-CB 3.34Å; G1021-F1025 PolarHBondContact O-N 3.11Å; F1025-V1027 PolarHBondContact O-N 3.21Å; F1025-L1028 PolarHBondContact O-N 3.24Å; F1025-T1029 HydrophobicContact CD1-CG2 3.98Å; F1025-T1029 HydrophobicContact CD2-CG2 4.47Å; F1025-T1029 HydrophobicContact CE1-CG2 3.53Å; F1025-T1029 HydrophobicContact CE2-CG2 4.06Å; F1025-T1029 HydrophobicContact CG-CG2 4.44Å; F1025-T1029 HydrophobicContact CZ-CG2 3.58Å; F1025-T1029 WeakPolarHBondContact O-CG2 3.2Å; F1025-T1029 PolarHBondContact O-N 3.45Å; F1025-T1029 PolarHBondContact O-OG1 3.48Å; F1025-T1029 VanDerWaalsContact O-OG1 3.1Å; F1025-I1176 HydrophobicContact CE1-CG2 3.67Å; F1025-I1176 HydrophobicContact CZ-CG2 4.2Å; F1025-L1177 HydrophobicContact CD1-CD2 4.39Å; F1025-L1181 HydrophobicContact CB-CD1 4.22Å; F1025-L1181 HydrophobicContact CD1-CD1 3.35Å; F1025-L1181 HydrophobicContact CD2-CD1 4.4Å; F1025-L1181 HydrophobicContact CE1-CD1 3.72Å; F1025-L1181 HydrophobicContact CG-CD1 3.73Å; F1025-L1181 HydrophobicContact CZ-CD1 4.38Å
1026S85Confident82.9Confident0 Ų039 Ų390%023%0.232CC..Hα-helixtrans-57.5-46.2174.4170.20000112.8K957 P1022 L1023 L1024 T1029 Q1030 E1173K957-S1026 PolarHBondContact NZ-OG 3.49Å; P1022-S1026 VanDerWaalsContact O-CB 3.25Å; P1022-S1026 WeakPolarHBondContact O-CB 3.47Å; P1022-S1026 PolarHBondContact O-N 3.26Å; L1023-S1026 WeakPolarHBondContact O-CB 3.34Å; L1023-S1026 PolarHBondContact O-N 2.9Å; L1024-S1026 PolarHBondContact O-N 3.28Å; S1026-T1029 PolarHBondContact O-OG1 3.23Å; S1026-Q1030 VanDerWaalsContact O-CG 3.29Å; S1026-Q1030 WeakPolarHBondContact O-CG 3.44Å; S1026-Q1030 PolarHBondContact O-N 2.97Å; S1026-E1173 VanDerWaalsContact OG-CD 3.29Å; S1026-E1173 PolarHBondContact OG-OE1 3.38Å; S1026-E1173 PolarHBondContact OG-OE2 2.66Å
1027V86.3Confident84.4Confident8 Ų837.9 Ų37.95%0.04822%0.22CC..Hα-helixtrans-66.6-46.2177.6173.30000110.3K957 L1023 L1024 F1025 T1029 Q1030 I1031K957-V1027 HydrophobicContact CB-CG2 4.13Å; K957-V1027 HydrophobicContact CD-CG2 4.1Å; K957-V1027 HydrophobicContact CG-CG2 3.72Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.35Å; L1023-V1027 PolarHBondContact O-N 3Å; L1024-V1027 PolarHBondContact O-N 2.97Å; F1025-V1027 PolarHBondContact O-N 3.21Å; V1027-T1029 PolarHBondContact O-N 3.07Å; V1027-Q1030 PolarHBondContact O-N 3.49Å; V1027-I1031 HydrophobicContact CG1-CD1 3.73Å; V1027-I1031 HydrophobicContact CG1-CG1 4.28Å; V1027-I1031 VanDerWaalsContact O-CG1 3.24Å; V1027-I1031 WeakPolarHBondContact O-CG1 3.19Å; V1027-I1031 PolarHBondContact O-N 3.36Å
1028L87.9Confident85.5Confident91 Ų9137.6 Ų37.648%0.47622%0.216SC..Hα-helixtrans-61.5-44.4-178.6-174.865.6000113.1L1024 F1025 Q1030 I1031 L1032L1024-L1028 WeakPolarHBondContact O-CB 3.48Å; L1024-L1028 PolarHBondContact O-N 2.98Å; F1025-L1028 PolarHBondContact O-N 3.24Å; L1028-Q1030 VanDerWaalsContact C-N 3.34Å; L1028-Q1030 PolarHBondContact O-N 3.18Å; L1028-I1031 WeakPolarHBondContact O-CB 3.33Å; L1028-I1031 PolarHBondContact O-N 3.38Å; L1028-L1032 HydrophobicContact CG-CD1 4.5Å; L1028-L1032 WeakPolarHBondContact O-CG 3.15Å; L1028-L1032 PolarHBondContact O-N 2.99Å
1029T89.6Confident86.6Confident22 Ų2239.1 Ų39.114%0.13523%0.226CC..Hα-helixtrans-64.4-40.8178.452.70000111.5F1025 S1026 V1027 L1032 I1033F1025-T1029 HydrophobicContact CD1-CG2 3.98Å; F1025-T1029 HydrophobicContact CD2-CG2 4.47Å; F1025-T1029 HydrophobicContact CE1-CG2 3.53Å; F1025-T1029 HydrophobicContact CE2-CG2 4.06Å; F1025-T1029 HydrophobicContact CG-CG2 4.44Å; F1025-T1029 HydrophobicContact CZ-CG2 3.58Å; F1025-T1029 WeakPolarHBondContact O-CG2 3.2Å; F1025-T1029 PolarHBondContact O-N 3.45Å; F1025-T1029 PolarHBondContact O-OG1 3.48Å; F1025-T1029 VanDerWaalsContact O-OG1 3.1Å; S1026-T1029 PolarHBondContact O-OG1 3.23Å; V1027-T1029 PolarHBondContact O-N 3.07Å; T1029-L1032 PolarHBondContact O-N 3.34Å; T1029-I1033 VanDerWaalsContact O-CG1 3.27Å; T1029-I1033 WeakPolarHBondContact O-CG1 3.41Å; T1029-I1033 PolarHBondContact O-N 3.5Å
1030Q92Very high87.7Confident0 Ų040 Ų400%023%0.23CC..Hα-helixtrans-67.7-35.8176.3-65.4-64.8-1800112.4L961 S1026 V1027 L1028 I1033 C1034 F1103 S1169L961-Q1030 HydrophobicContact CD2-CB 3.49Å; L961-Q1030 VanDerWaalsContact CD2-CB 3.49Å; L961-Q1030 HydrophobicContact CD2-CG 4.38Å; S1026-Q1030 VanDerWaalsContact O-CG 3.29Å; S1026-Q1030 WeakPolarHBondContact O-CG 3.44Å; S1026-Q1030 PolarHBondContact O-N 2.97Å; V1027-Q1030 PolarHBondContact O-N 3.49Å; L1028-Q1030 VanDerWaalsContact C-N 3.34Å; L1028-Q1030 PolarHBondContact O-N 3.18Å; Q1030-I1033 PolarHBondContact O-N 3.01Å; Q1030-C1034 WeakPolarHBondContact O-CB 3.12Å; Q1030-C1034 PolarHBondContact O-N 2.97Å; Q1030-C1034 PolarHBondContact O-SG 3.33Å; Q1030-F1103 HydrophobicContact CB-CZ 4.4Å; Q1030-F1103 HydrophobicContact CG-CE1 4.11Å; Q1030-F1103 HydrophobicContact CG-CZ 4.09Å; Q1030-S1169 PolarHBondContact NE2-O 3.47Å; Q1030-S1169 PolarHBondContact OE1-OG 3.1Å
1031I91.1Very high88.8Confident30 Ų3038.7 Ų38.715%0.15422%0.222CC..Hα-helixtrans-57.3-49.9171.4-68.9163.5000110.1L961 I964 V1027 L1028 I1033 C1034 L1035L961-I1031 HydrophobicContact CD1-CB 4.29Å; L961-I1031 HydrophobicContact CD1-CG1 3.44Å; L961-I1031 VanDerWaalsContact CD1-CG1 3.44Å; I964-I1031 HydrophobicContact CB-CG1 4.5Å; I964-I1031 HydrophobicContact CD1-CD1 3.35Å; I964-I1031 HydrophobicContact CD1-CG1 3.91Å; I964-I1031 HydrophobicContact CG2-CB 4.49Å; I964-I1031 HydrophobicContact CG2-CD1 4.41Å; I964-I1031 HydrophobicContact CG2-CG1 4.02Å; I964-I1031 HydrophobicContact CG2-CG2 3.77Å; V1027-I1031 HydrophobicContact CG1-CD1 3.73Å; V1027-I1031 HydrophobicContact CG1-CG1 4.28Å; V1027-I1031 VanDerWaalsContact O-CG1 3.24Å; V1027-I1031 WeakPolarHBondContact O-CG1 3.19Å; V1027-I1031 PolarHBondContact O-N 3.36Å; L1028-I1031 WeakPolarHBondContact O-CB 3.33Å; L1028-I1031 PolarHBondContact O-N 3.38Å; I1031-I1033 VanDerWaalsContact C-N 3.34Å; I1031-I1033 PolarHBondContact O-N 2.9Å; I1031-C1034 PolarHBondContact O-N 3.29Å; I1031-L1035 VanDerWaalsContact O-CB 3.27Å; I1031-L1035 WeakPolarHBondContact O-CB 3.32Å; I1031-L1035 PolarHBondContact O-N 3.3Å
1032L92.9Very high89.8Confident102 Ų10236.8 Ų36.853%0.53420%0.199SC..Hα-helixtrans-63.7-39-178.4-67.7173.7000112.3L1028 T1029 G1036L1028-L1032 HydrophobicContact CG-CD1 4.5Å; L1028-L1032 WeakPolarHBondContact O-CG 3.15Å; L1028-L1032 PolarHBondContact O-N 2.99Å; T1029-L1032 PolarHBondContact O-N 3.34Å; L1032-G1036 PolarHBondContact O-N 3.48Å
1033I93.9Very high90.6Very high24 Ų2439.2 Ų39.212%0.12321%0.21CC..Hα-helixtrans-62.8-50.3175.2-67.9163.5000110.1T1029 Q1030 I1031 L1035 G1036 F1037 V1168 V1172T1029-I1033 VanDerWaalsContact O-CG1 3.27Å; T1029-I1033 WeakPolarHBondContact O-CG1 3.41Å; T1029-I1033 PolarHBondContact O-N 3.5Å; Q1030-I1033 PolarHBondContact O-N 3.01Å; I1031-I1033 VanDerWaalsContact C-N 3.34Å; I1031-I1033 PolarHBondContact O-N 2.9Å; I1033-L1035 PolarHBondContact O-N 3.34Å; I1033-G1036 PolarHBondContact O-N 3.18Å; I1033-F1037 HydrophobicContact CG2-CD2 3.8Å; I1033-F1037 HydrophobicContact CG2-CE2 3.85Å; I1033-F1037 VanDerWaalsContact O-CD2 3.32Å; I1033-F1037 WeakPolarHBondContact O-CD2 3.41Å; I1033-F1037 PolarHBondContact O-N 3.38Å; I1033-V1168 HydrophobicContact CD1-CG1 4.22Å; I1033-V1168 HydrophobicContact CG1-CG1 4.35Å; I1033-V1168 HydrophobicContact CG2-CG1 4.25Å; I1033-V1172 HydrophobicContact CD1-CB 3.9Å; I1033-V1172 HydrophobicContact CD1-CG1 3.94Å; I1033-V1172 HydrophobicContact CD1-CG2 3.92Å
1034C94Very high91.4Very high1 Ų142.8 Ų42.81%0.00722%0.222CC..Hα-helixtrans-62.9-44.2-178.8-64.60000111.6I965 Q1030 I1031 G1036 F1037 Q1038 Q1095I965-C1034 HydrophobicContact CD1-CB 4.35Å; I965-C1034 HydrophobicContact CG1-CB 3.91Å; Q1030-C1034 WeakPolarHBondContact O-CB 3.12Å; Q1030-C1034 PolarHBondContact O-N 2.97Å; Q1030-C1034 PolarHBondContact O-SG 3.33Å; I1031-C1034 PolarHBondContact O-N 3.29Å; C1034-G1036 VanDerWaalsContact C-N 3.34Å; C1034-G1036 PolarHBondContact O-N 2.98Å; C1034-F1037 PolarHBondContact O-N 2.9Å; C1034-Q1038 WeakPolarHBondContact O-CB 3.29Å; C1034-Q1038 WeakPolarHBondContact O-CG 3.31Å; C1034-Q1038 PolarHBondContact O-N 3.46Å; C1034-Q1095 PolarHBondContact O-NE2 3.23Å
1035L94.1Very high91.9Very high66 Ų6638.8 Ų38.835%0.34620%0.201SC..Hα-helixtrans-56.2-46.8174176.862.2000111.8I968 I1031 I1033 T1039I968-L1035 HydrophobicContact CB-CD1 4.43Å; I968-L1035 HydrophobicContact CD1-CB 3.86Å; I968-L1035 HydrophobicContact CD1-CD1 4.02Å; I968-L1035 HydrophobicContact CD1-CG 4.48Å; I968-L1035 HydrophobicContact CG1-CD1 4.05Å; I968-L1035 HydrophobicContact CG2-CD1 3.45Å; I968-L1035 VanDerWaalsContact CG2-CD1 3.45Å; I1031-L1035 VanDerWaalsContact O-CB 3.27Å; I1031-L1035 WeakPolarHBondContact O-CB 3.32Å; I1031-L1035 PolarHBondContact O-N 3.3Å; I1033-L1035 PolarHBondContact O-N 3.34Å; L1035-T1039 WeakPolarHBondContact O-CB 3.48Å; L1035-T1039 PolarHBondContact O-N 2.99Å; L1035-T1039 PolarHBondContact O-OG1 3.45Å
1036G95.3Very high92.1Very high29 Ų2938.3 Ų38.330%0.29920%0.2SC..Hα-helixtrans-60.4-49.7179.600000112.1L1032 I1033 C1034 T1039 I1040L1032-G1036 PolarHBondContact O-N 3.48Å; I1033-G1036 PolarHBondContact O-N 3.18Å; C1034-G1036 VanDerWaalsContact C-N 3.34Å; C1034-G1036 PolarHBondContact O-N 2.98Å; G1036-T1039 PolarHBondContact O-N 3.28Å; G1036-I1040 WeakPolarHBondContact O-CB 3.41Å; G1036-I1040 WeakPolarHBondContact O-CD1 3.5Å; G1036-I1040 WeakPolarHBondContact O-CG1 3.22Å; G1036-I1040 PolarHBondContact O-N 3.41Å
1037F96Very high92.3Very high34 Ų3446.2 Ų46.215%0.14923%0.234CC..Hα-helixtrans-68.4-37.1-179.6-80.1-71.9000113.5I1033 C1034 T1041 I1161 V1164 N1165 V1168I1033-F1037 HydrophobicContact CG2-CD2 3.8Å; I1033-F1037 HydrophobicContact CG2-CE2 3.85Å; I1033-F1037 VanDerWaalsContact O-CD2 3.32Å; I1033-F1037 WeakPolarHBondContact O-CD2 3.41Å; I1033-F1037 PolarHBondContact O-N 3.38Å; C1034-F1037 PolarHBondContact O-N 2.9Å; F1037-T1041 WeakPolarHBondContact O-CB 3.27Å; F1037-T1041 PolarHBondContact O-N 2.91Å; F1037-T1041 PolarHBondContact O-OG1 2.94Å; F1037-I1161 HydrophobicContact CD1-CG2 3.92Å; F1037-V1164 HydrophobicContact CE1-CB 4.46Å; F1037-V1164 HydrophobicContact CE1-CG1 4.1Å; F1037-V1164 HydrophobicContact CZ-CG1 3.91Å; F1037-N1165 HydrophobicContact CD1-CB 4.09Å; F1037-N1165 HydrophobicContact CD2-CB 3.73Å; F1037-N1165 VanDerWaalsContact CD2-CG 3.49Å; F1037-N1165 VanDerWaalsContact CD2-OD1 3.29Å; F1037-N1165 WeakPolarHBondContact CD2-OD1 3.38Å; F1037-N1165 HydrophobicContact CE1-CB 4.18Å; F1037-N1165 HydrophobicContact CE2-CB 3.85Å; F1037-N1165 HydrophobicContact CG-CB 3.87Å; F1037-N1165 HydrophobicContact CZ-CB 4.08Å; F1037-V1168 HydrophobicContact CE2-CB 4.38Å; F1037-V1168 HydrophobicContact CZ-CG2 4.4Å
1038Q95.3Very high92.3Very high0 Ų046.4 Ų46.40%023%0.234CC..Hα-helixtrans-65.5-46.6174.1-73-1700.900111.4I965 I968 S969 L972 C1034 I1040 T1041 F1042 L1088 V1091I965-Q1038 PolarHBondContact O-NE2 3.08Å; I965-Q1038 PolarHBondContact O-OE1 3.01Å; I968-Q1038 HydrophobicContact CG2-CB 4.4Å; S969-Q1038 VanDerWaalsContact OG-CD 3.24Å; S969-Q1038 PolarHBondContact OG-NE2 3.35Å; S969-Q1038 PolarHBondContact OG-OE1 3.33Å; L972-Q1038 HydrophobicContact CD1-CB 3.95Å; C1034-Q1038 WeakPolarHBondContact O-CB 3.29Å; C1034-Q1038 WeakPolarHBondContact O-CG 3.31Å; C1034-Q1038 PolarHBondContact O-N 3.46Å; Q1038-I1040 PolarHBondContact O-N 3.17Å; Q1038-T1041 PolarHBondContact O-N 2.81Å; Q1038-F1042 WeakPolarHBondContact O-CB 3.42Å; Q1038-F1042 PolarHBondContact O-N 3.35Å; Q1038-L1088 HydrophobicContact CB-CD2 4.02Å; Q1038-L1088 HydrophobicContact CG-CD2 4.36Å; Q1038-V1091 HydrophobicContact CG-CG1 4.42Å
1039T93.7Very high92.1Very high43 Ų4348.2 Ų48.226%0.26425%0.251SS..Hα-helixtrans-62.3-42.3177.7-52.10000111.6L1035 G1036 T1041 F1042 L1043L1035-T1039 WeakPolarHBondContact O-CB 3.48Å; L1035-T1039 PolarHBondContact O-N 2.99Å; L1035-T1039 PolarHBondContact O-OG1 3.45Å; G1036-T1039 PolarHBondContact O-N 3.28Å; T1039-T1041 VanDerWaalsContact C-N 3.34Å; T1039-T1041 PolarHBondContact O-N 2.86Å; T1039-F1042 PolarHBondContact O-N 3.1Å; T1039-L1043 HydrophobicContact CG2-CD1 4.03Å; T1039-L1043 HydrophobicContact CG2-CG 4.43Å; T1039-L1043 WeakPolarHBondContact O-CG 3.5Å; T1039-L1043 PolarHBondContact O-N 3.2Å
1040I94.6Very high91.8Very high91 Ų9149.7 Ų49.747%0.46725%0.254SS..Hα-helixtrans-60.2-46174.8-72.2165.3000110.3G1036 Q1038 L1043 W1044G1036-I1040 WeakPolarHBondContact O-CB 3.41Å; G1036-I1040 WeakPolarHBondContact O-CD1 3.5Å; G1036-I1040 WeakPolarHBondContact O-CG1 3.22Å; G1036-I1040 PolarHBondContact O-N 3.41Å; Q1038-I1040 PolarHBondContact O-N 3.17Å; I1040-L1043 PolarHBondContact O-N 3.37Å; I1040-W1044 HydrophobicContact CG2-CE3 4.28Å; I1040-W1044 WeakPolarHBondContact O-CB 3.32Å; I1040-W1044 PolarHBondContact O-N 3.01Å
1041T94.3Very high91.3Very high0 Ų052 Ų520%026%0.264CS..Hα-helixtrans-61.6-47.3179.4-56.90000111.1F1037 Q1038 T1039 L1043 W1044 V1045 V1091 L1158F1037-T1041 WeakPolarHBondContact O-CB 3.27Å; F1037-T1041 PolarHBondContact O-N 2.91Å; F1037-T1041 PolarHBondContact O-OG1 2.94Å; Q1038-T1041 PolarHBondContact O-N 2.81Å; T1039-T1041 VanDerWaalsContact C-N 3.34Å; T1039-T1041 PolarHBondContact O-N 2.86Å; T1041-L1043 PolarHBondContact O-N 3.1Å; T1041-W1044 PolarHBondContact O-N 3.35Å; T1041-V1045 PolarHBondContact O-N 2.89Å; T1041-V1091 HydrophobicContact CG2-CG2 3.85Å; T1041-L1158 HydrophobicContact CG2-CD2 3.86Å
1042F93.6Very high90.6Very high10 Ų1056.8 Ų56.84%0.04429%0.286CS..Hα-helixtrans-60.3-43.6179.3-175.6-100.7000113L972 S975 V976 Q1038 T1039 V1045 E1084 L1088L972-F1042 HydrophobicContact CB-CD2 4.3Å; L972-F1042 HydrophobicContact CB-CE2 4.5Å; L972-F1042 HydrophobicContact CB-CG 4.39Å; L972-F1042 HydrophobicContact CD1-CB 4.37Å; L972-F1042 HydrophobicContact CD2-CD1 4.43Å; L972-F1042 VanDerWaalsContact O-CZ 3.29Å; L972-F1042 WeakPolarHBondContact O-CZ 3.12Å; S975-F1042 WeakPolarHBondContact OG-CE1 3.15Å; S975-F1042 WeakPolarHBondContact OG-CZ 3.49Å; V976-F1042 HydrophobicContact CG1-CZ 3.84Å; V976-F1042 HydrophobicContact CG2-CE2 4.25Å; V976-F1042 HydrophobicContact CG2-CZ 4.22Å; Q1038-F1042 WeakPolarHBondContact O-CB 3.42Å; Q1038-F1042 PolarHBondContact O-N 3.35Å; T1039-F1042 PolarHBondContact O-N 3.1Å; F1042-V1045 VanDerWaalsContact O-CG1 3.31Å; F1042-V1045 WeakPolarHBondContact O-CG1 3.19Å; F1042-E1084 HydrophobicContact CD2-CB 4.11Å; F1042-E1084 HydrophobicContact CD2-CG 4.31Å; F1042-E1084 HydrophobicContact CE2-CB 3.93Å; F1042-E1084 HydrophobicContact CE2-CG 4.03Å; F1042-L1088 HydrophobicContact CB-CD1 4.47Å; F1042-L1088 HydrophobicContact CB-CD2 4.3Å; F1042-L1088 HydrophobicContact CD2-CD1 3.63Å; F1042-L1088 HydrophobicContact CD2-CG 4.34Å; F1042-L1088 HydrophobicContact CE2-CD1 4.35Å; F1042-L1088 HydrophobicContact CG-CD1 4.45Å
1043L92.5Very high89.6Confident83 Ų8362.8 Ų62.844%0.43530%0.302SS..Hα-helixtrans-78-27.5178.1-64.7176.9000113T1039 I1040 T1041 K1047T1039-L1043 HydrophobicContact CG2-CD1 4.03Å; T1039-L1043 HydrophobicContact CG2-CG 4.43Å; T1039-L1043 WeakPolarHBondContact O-CG 3.5Å; T1039-L1043 PolarHBondContact O-N 3.2Å; I1040-L1043 PolarHBondContact O-N 3.37Å; T1041-L1043 PolarHBondContact O-N 3.1Å; L1043-K1047 WeakPolarHBondContact O-CG 3.38Å
1044W93.2Very high88.4Confident101 Ų10163.2 Ų63.238%0.38330%0.302SS..Hα-helixtrans-82.9-30.6-175-165.213000112.8I1040 T1041 Q1046 K1047 Q1048 W1154 I1161I1040-W1044 HydrophobicContact CG2-CE3 4.28Å; I1040-W1044 WeakPolarHBondContact O-CB 3.32Å; I1040-W1044 PolarHBondContact O-N 3.01Å; T1041-W1044 PolarHBondContact O-N 3.35Å; W1044-Q1046 VanDerWaalsContact C-N 3.3Å; W1044-Q1046 PolarHBondContact O-N 3.16Å; W1044-K1047 PolarHBondContact O-N 3.4Å; W1044-Q1048 PolarHBondContact O-NE2 3.17Å; W1044-W1154 HydrophobicContact CB-CH2 4.14Å; W1044-W1154 HydrophobicContact CD2-CH2 4.35Å; W1044-W1154 HydrophobicContact CD2-CZ3 4.3Å; W1044-W1154 HydrophobicContact CG-CH2 4.15Å; W1044-W1154 HydrophobicContact CG-CZ3 4.3Å; W1044-I1161 HydrophobicContact CE3-CD1 3.78Å; W1044-I1161 HydrophobicContact CE3-CG1 4.46Å; W1044-I1161 HydrophobicContact CZ3-CD1 3.82Å; W1044-I1161 HydrophobicContact CZ3-CG1 4.05Å
1045V90.7Very high86.9Confident0 Ų066.3 Ų66.30%032%0.321CS..Hα-helixtrans-61.7-41.3171.968.50000110.8T1041 F1042 K1047 Q1048 W1050 F1051 F1083 E1084 W1154T1041-V1045 PolarHBondContact O-N 2.89Å; F1042-V1045 VanDerWaalsContact O-CG1 3.31Å; F1042-V1045 WeakPolarHBondContact O-CG1 3.19Å; V1045-K1047 PolarHBondContact O-N 3.48Å; V1045-K1047 VanDerWaalsContact O-N 3.17Å; V1045-Q1048 WeakPolarHBondContact O-CB 3.42Å; V1045-Q1048 WeakPolarHBondContact O-CG 3.25Å; V1045-Q1048 PolarHBondContact O-N 3.48Å; V1045-Q1048 VanDerWaalsContact O-N 3.11Å; V1045-W1050 HydrophobicContact CG2-CH2 3.74Å; V1045-W1050 HydrophobicContact CG2-CZ2 4.44Å; V1045-W1050 HydrophobicContact CG2-CZ3 4.46Å; V1045-F1051 HydrophobicContact CG2-CD2 4.3Å; V1045-F1051 WeakPolarHBondContact O-CB 3.49Å; V1045-F1051 WeakPolarHBondContact O-CD2 3.47Å; V1045-F1051 WeakPolarHBondContact O-CG 3.46Å; V1045-F1083 HydrophobicContact CG2-CB 4.25Å; V1045-E1084 HydrophobicContact CG1-CB 4.49Å; V1045-E1084 HydrophobicContact CG1-CG 3.89Å; V1045-W1154 HydrophobicContact CB-CH2 4.15Å; V1045-W1154 HydrophobicContact CB-CZ2 3.61Å; V1045-W1154 HydrophobicContact CG2-CZ2 3.99Å
1046Q87.5Confident85.2Confident70 Ų7067 Ų6733%0.32733%0.329SS..THydrogen-bonded Turntrans-64.7-20.6178.2-66.9179.5-11.100113.9W1044 F1051 E1084W1044-Q1046 VanDerWaalsContact C-N 3.3Å; W1044-Q1046 PolarHBondContact O-N 3.16Å; Q1046-F1051 HydrophobicContact CB-CD1 4.43Å; Q1046-F1051 HydrophobicContact CB-CE1 4.14Å; Q1046-F1051 HydrophobicContact CB-CZ 4.26Å; Q1046-F1051 HydrophobicContact CG-CE1 4.11Å; Q1046-F1051 HydrophobicContact CG-CE2 4.16Å; Q1046-F1051 HydrophobicContact CG-CZ 3.77Å; Q1046-F1051 WeakPolarHBondContact O-CD1 3.5Å; Q1046-E1084 HydrophobicContact CG-CG 4.38Å
1047K89.3Confident83.1Confident166 Ų16670.3 Ų70.372%0.72235%0.354SS*.THydrogen-bonded Turntrans-93.61.4179.1-69.2179.7-177.6-1800113.3L1043 W1044 V1045L1043-K1047 WeakPolarHBondContact O-CG 3.38Å; W1044-K1047 PolarHBondContact O-N 3.4Å; V1045-K1047 PolarHBondContact O-N 3.48Å; V1045-K1047 VanDerWaalsContact O-N 3.17Å
1048Q88.1Confident81.3Confident12 Ų1270.5 Ų70.56%0.05636%0.358CS..SBendtrans-73.9146.5-179.8-64.7-51.3-53.400111.5W1044 V1045 W1050 F1051 W1154W1044-Q1048 PolarHBondContact O-NE2 3.17Å; V1045-Q1048 WeakPolarHBondContact O-CB 3.42Å; V1045-Q1048 WeakPolarHBondContact O-CG 3.25Å; V1045-Q1048 PolarHBondContact O-N 3.48Å; V1045-Q1048 VanDerWaalsContact O-N 3.11Å; Q1048-W1050 HydrophobicContact CB-CD2 3.99Å; Q1048-W1050 VanDerWaalsContact CB-CE2 3.48Å; Q1048-W1050 HydrophobicContact CB-CG 4.24Å; Q1048-W1050 HydrophobicContact CB-CZ2 3.81Å; Q1048-W1050 HydrophobicContact CG-CZ2 3.66Å; Q1048-W1050 PolarHBondContact O-N 3.13Å; Q1048-F1051 HydrophobicContact CB-CB 4.22Å; Q1048-F1051 VanDerWaalsContact O-CB 3.26Å; Q1048-F1051 WeakPolarHBondContact O-CB 3.49Å; Q1048-F1051 PolarHBondContact O-N 3.11Å; Q1048-F1051 VanDerWaalsContact O-N 3.07Å; Q1048-W1154 HydrophobicContact CG-CD2 4.48Å; Q1048-W1154 HydrophobicContact CG-CE3 3.83Å; Q1048-W1154 HydrophobicContact CG-CZ3 3.84Å
1049P83.6Confident79.6Confident128 Ų12872.5 Ų72.583%0.83137%0.369SS*.THydrogen-bonded Turntrans-67.5-20.2-177.927.9-35.5000113.4
1050W82.6Confident78Confident54 Ų5474 Ų7421%0.20538%0.378CS..THydrogen-bonded Turntrans-93.6-1176.654.4-100.6000113V1045 Q1048 E1052 F1083 V1150 P1151 W1154V1045-W1050 HydrophobicContact CG2-CH2 3.74Å; V1045-W1050 HydrophobicContact CG2-CZ2 4.44Å; V1045-W1050 HydrophobicContact CG2-CZ3 4.46Å; Q1048-W1050 HydrophobicContact CB-CD2 3.99Å; Q1048-W1050 VanDerWaalsContact CB-CE2 3.48Å; Q1048-W1050 HydrophobicContact CB-CG 4.24Å; Q1048-W1050 HydrophobicContact CB-CZ2 3.81Å; Q1048-W1050 HydrophobicContact CG-CZ2 3.66Å; Q1048-W1050 PolarHBondContact O-N 3.13Å; W1050-E1052 PolarHBondContact O-N 3.3Å; W1050-F1083 HydrophobicContact CZ3-CB 4.3Å; W1050-F1083 AromaticContact CZ3-CD1 3.96Å; W1050-F1083 HydrophobicContact CZ3-CD1 3.96Å; W1050-F1083 HydrophobicContact CZ3-CD2 4.47Å; W1050-F1083 HydrophobicContact CZ3-CE1 4.37Å; W1050-F1083 HydrophobicContact CZ3-CG 4.01Å; W1050-V1150 HydrophobicContact CH2-CG1 4.29Å; W1050-P1151 HydrophobicContact CD2-CG 3.64Å; W1050-P1151 HydrophobicContact CE3-CG 4.08Å; W1050-P1151 HydrophobicContact CG-CG 3.82Å; W1050-P1151 HydrophobicContact CZ2-CG 4.34Å; W1050-W1154 HydrophobicContact CH2-CB 4.39Å; W1050-W1154 AromaticContact CH2-CD1 3.93Å; W1050-W1154 HydrophobicContact CH2-CD2 4.39Å; W1050-W1154 AromaticContact CH2-CG 3.99Å; W1050-W1154 HydrophobicContact CH2-CG 3.99Å; W1050-W1154 HydrophobicContact CZ2-CB 3.58Å; W1050-W1154 AromaticContact CZ2-CD1 3.85Å; W1050-W1154 AromaticContact CZ2-CD2 3.76Å; W1050-W1154 HydrophobicContact CZ2-CD2 3.76Å; W1050-W1154 HydrophobicContact CZ2-CE3 4.24Å; W1050-W1154 AromaticContact CZ2-CG 3.43Å; W1050-W1154 HydrophobicContact CZ2-CG 3.43Å; W1050-W1154 VanDerWaalsContact CZ2-CG 3.43Å
1051F81.7Confident76.4Confident48 Ų4872.4 Ų72.421%0.21137%0.373CS..  trans-76.3117.8-176.1178.7-94.7000110.8V1045 Q1046 Q1048 F1083 E1084V1045-F1051 HydrophobicContact CG2-CD2 4.3Å; V1045-F1051 WeakPolarHBondContact O-CB 3.49Å; V1045-F1051 WeakPolarHBondContact O-CD2 3.47Å; V1045-F1051 WeakPolarHBondContact O-CG 3.46Å; Q1046-F1051 HydrophobicContact CB-CD1 4.43Å; Q1046-F1051 HydrophobicContact CB-CE1 4.14Å; Q1046-F1051 HydrophobicContact CB-CZ 4.26Å; Q1046-F1051 HydrophobicContact CG-CE1 4.11Å; Q1046-F1051 HydrophobicContact CG-CE2 4.16Å; Q1046-F1051 HydrophobicContact CG-CZ 3.77Å; Q1046-F1051 WeakPolarHBondContact O-CD1 3.5Å; Q1048-F1051 HydrophobicContact CB-CB 4.22Å; Q1048-F1051 VanDerWaalsContact O-CB 3.26Å; Q1048-F1051 WeakPolarHBondContact O-CB 3.49Å; Q1048-F1051 PolarHBondContact O-N 3.11Å; Q1048-F1051 VanDerWaalsContact O-N 3.07Å; F1051-F1083 HydrophobicContact CD2-CB 4.46Å; F1051-F1083 HydrophobicContact CD2-CD2 4.46Å; F1051-F1083 HydrophobicContact CE2-CB 4.38Å; F1051-E1084 HydrophobicContact CE2-CG 4.39Å; F1051-E1084 WeakPolarHBondContact CZ-OE1 3.42Å
1052E76.2Confident74.6Confident130 Ų13076.8 Ų76.861%0.60740%0.397SS*.  trans-133159.8170.1-66.4-174.7173.100108.8W1050 W1054 F1083W1050-E1052 PolarHBondContact O-N 3.3Å; E1052-W1054 PolarHBondContact O-N 3.35Å; E1052-F1083 WeakPolarHBondContact O-CD2 3.32Å; E1052-F1083 WeakPolarHBondContact O-CE2 3.35Å
1053R72.2Confident72.4Confident228 Ų22884.5 Ų84.586%0.8643%0.433SS*.  trans-60.7126.1173.4-76.1-174.1-177.51640108.8T1055R1053-T1055 PolarHBondContact O-N 2.94Å
1054W67.9Low70.2Confident34 Ų3485.3 Ų85.313%0.12944%0.443CS..  trans-63.9134.6-172.8-177.886.9000111.8E1052 P1056 Q1081 N1082 F1083 V1148E1052-W1054 PolarHBondContact O-N 3.35Å; W1054-P1056 HydrophobicContact CH2-CG 4.07Å; W1054-P1056 HydrophobicContact CZ3-CG 4.4Å; W1054-Q1081 HydrophobicContact CD2-CB 4.31Å; W1054-Q1081 HydrophobicContact CE3-CB 4.09Å; W1054-Q1081 HydrophobicContact CH2-CB 3.6Å; W1054-Q1081 HydrophobicContact CH2-CG 4.37Å; W1054-Q1081 HydrophobicContact CZ2-CB 3.84Å; W1054-Q1081 VanDerWaalsContact CZ2-OE1 3.26Å; W1054-Q1081 HydrophobicContact CZ3-CB 3.73Å; W1054-N1082 HydrophobicContact CB-CB 4.41Å; W1054-F1083 HydrophobicContact CB-CD2 4.3Å; W1054-F1083 HydrophobicContact CB-CE2 4.13Å; W1054-F1083 AromaticContact CD1-CZ 3.88Å; W1054-V1148 VanDerWaalsContact CD1-CG1 3.44Å; W1054-V1148 HydrophobicContact CD2-CG2 4.48Å; W1054-V1148 HydrophobicContact CG-CG2 4.44Å
1055T62Low67.7Low66 Ų6687.3 Ų87.341%0.40546%0.462SS..  trans-136.6156.3165.960.60000108.9R1053 A1057 T1058R1053-T1055 PolarHBondContact O-N 2.94Å; T1055-A1057 PolarHBondContact O-N 3.07Å; T1055-T1058 PolarHBondContact N-OG1 3.13Å; T1055-T1058 PolarHBondContact O-N 3.41Å; T1055-T1058 PolarHBondContact O-OG1 3.22Å; T1055-T1058 WeakPolarHBondContact OG1-CG2 3.48Å; T1055-T1058 PolarHBondContact OG1-OG1 3.02Å
1056P58.8Low65.5Low79 Ų7996.1 Ų96.151%0.51350%0.502SS..G310 helixtrans-53.7-26-179.4-27.434000114.6W1054W1054-P1056 HydrophobicContact CH2-CG 4.07Å; W1054-P1056 HydrophobicContact CZ3-CG 4.4Å
1057A52.3Low63.4Low100 Ų100100.1 Ų100.183%0.82653%0.525SS*.G310 helixtrans-79.8-14.6177.500000114.8T1055T1055-A1057 PolarHBondContact O-N 3.07Å
1058T57.7Low61.3Low37 Ų3799.8 Ų99.823%0.22753%0.531CS..G310 helixtrans-96.610.9-176.154.30000114.2T1055 V1060T1055-T1058 PolarHBondContact N-OG1 3.13Å; T1055-T1058 PolarHBondContact O-N 3.41Å; T1055-T1058 PolarHBondContact O-OG1 3.22Å; T1055-T1058 WeakPolarHBondContact OG1-CG2 3.48Å; T1055-T1058 PolarHBondContact OG1-OG1 3.02Å; T1058-V1060 PolarHBondContact O-N 3.22Å
1059N59.8Low59Low43 Ų43103.6 Ų103.623%0.2357%0.565CS.*  trans-64.7104.4177-99.6-33.9000111.4C1061 N1062N1059-C1061 PolarHBondContact O-N 3.18Å; N1059-C1061 VanDerWaalsContact O-N 3.07Å; N1059-N1062 PolarHBondContact O-N 3.31Å
1060V59.8Low57Low75 Ų75103.2 Ų103.246%0.45557%0.565SS.*THydrogen-bonded Turntrans-63.8-19.9-168.6-173.20000114T1058 F1083 P1151T1058-V1060 PolarHBondContact O-N 3.22Å; V1060-F1083 HydrophobicContact CG2-CE1 4.49Å; V1060-F1083 HydrophobicContact CG2-CZ 4.44Å; V1060-P1151 HydrophobicContact CG1-CG 4.15Å
1061C61.5Low55Low56 Ų56103.7 Ų103.738%0.37859%0.587SS.*THydrogen-bonded Turntrans-97.3-5-178-540000114.9N1059 H1063 C1149 R1155N1059-C1061 PolarHBondContact O-N 3.18Å; N1059-C1061 VanDerWaalsContact O-N 3.07Å; C1061-H1063 PolarHBondContact O-N 3.11Å; C1061-C1149 HydrophobicContact CB-CB 3.51Å; C1061-C1149 WeakPolarHBondContact CB-SG 3.39Å; C1061-C1149 WeakPolarHBondContact SG-CB 3.24Å; C1061-C1149 CovalentContact SG-SG 2Å; C1061-C1149 PolarHBondContact SG-SG 3.39Å; C1061-R1155 PolarHBondContact SG-NH2 3.31Å
1062N56.3Low53Low93 Ų93107.3 Ų107.350%0.49761%0.608SS.*SBendtrans-78.9118.9168.5-80.6-24000107.8N1059N1059-N1062 PolarHBondContact O-N 3.31Å
1063H46Very low51.3Low171 Ų171109 Ų10979%0.79262%0.621SS**  trans-52.1146.1167.4-107.3-76.9000109.6C1061 D1065C1061-H1063 PolarHBondContact O-N 3.11Å; H1063-D1065 PolarHBondContact O-N 2.66Å
1064P46.2Very low49.9Very low101 Ų101105.2 Ų105.266%0.65661%0.613SS**  trans-78.270.3-175.934.8-33.6000109.7H1066P1064-H1066 PolarHBondContact O-N 3.42Å
1065D41.3Very low48.9Very low143 Ų143108.9 Ų108.977%0.76564%0.639SS**  trans-83.794.3160.3-79.5-22.4000107.1H1063 L1067H1063-D1065 PolarHBondContact O-N 2.66Å; D1065-L1067 PolarHBondContact O-N 3.45Å
1066H45.5Very low48.5Very low184 Ų184108.7 Ų108.785%0.85264%0.636SS**  trans-5487.2164.9-76.6-82.9000110P1064P1064-H1066 PolarHBondContact O-N 3.42Å
1067L41.8Very low48.3Very low155 Ų155111.7 Ų111.781%0.81265%0.648SS**  trans-128.6116.2160.6-83.1164.9000108.3D1065 A1069D1065-L1067 PolarHBondContact O-N 3.45Å; L1067-A1069 PolarHBondContact O-N 2.98Å
1068N46.8Very low48.6Very low159 Ų159111.2 Ų111.285%0.8563%0.628SS**  trans-39.498.6178.9-68.4-32.1000113S1070N1068-S1070 VanDerWaalsContact C-N 3.29Å; N1068-S1070 PolarHBondContact O-N 2.83Å
1069A39.1Very low49.3Very low92 Ų92112.4 Ų112.476%0.7663%0.633SS**  trans-9559.9163.400000109.3L1067 G1071L1067-A1069 PolarHBondContact O-N 2.98Å; A1069-G1071 PolarHBondContact O-N 3.44Å
1070S40.9Very low50.3Low119 Ų119111 Ų11183%0.83263%0.626SS**THydrogen-bonded Turntrans-78.847.5175.258.20000112N1068N1068-S1070 VanDerWaalsContact C-N 3.29Å; N1068-S1070 PolarHBondContact O-N 2.83Å
1071G40.6Very low51.2Low65 Ų65110.2 Ų110.267%0.6762%0.617SS**THydrogen-bonded Turntrans-161.25.6-168.600000119.5A1069A1069-G1071 PolarHBondContact O-N 3.44Å
1072L39.8Very low52.4Low123 Ų123107.7 Ų107.764%0.64460%0.599SS**  trans-127.579.8172.1-85.8122.7000110.5Q1074L1072-Q1074 HydrophobicContact CD2-CG 4.11Å; L1072-Q1074 PolarHBondContact O-N 2.79Å
1073N41Very low53.9Low167 Ų167103.4 Ų103.489%0.89358%0.576SS**  trans-71.967.5153.6-78-9.5000108.1T1075N1073-T1075 PolarHBondContact O-N 3.18Å
1074Q42.6Very low56Low148 Ų14896.2 Ų96.269%0.69254%0.543SS*.  trans-9188157.1-84.2177.3-14.800105.5L1072 D1076L1072-Q1074 HydrophobicContact CD2-CG 4.11Å; L1072-Q1074 PolarHBondContact O-N 2.79Å; Q1074-D1076 PolarHBondContact O-N 2.98Å
1075T46.7Very low58.1Low110 Ų11091.4 Ų91.468%0.67551%0.512SS*.  trans-65.6117.2158.642.30000105.9N1073 D1077N1073-T1075 PolarHBondContact O-N 3.18Å; T1075-D1077 PolarHBondContact O-N 2Å
1076D53.8Low60.5Low62 Ų6284.6 Ų84.633%0.33248%0.476SS..  trans-65.5100.1170.2-166.815.9000106.6Q1074 H1078 N1079 I1080 Q1081Q1074-D1076 PolarHBondContact O-N 2.98Å; D1076-H1078 PolarHBondContact O-N 2.95Å; D1076-N1079 PolarHBondContact O-N 3.46Å; D1076-I1080 PolarHBondContact OD2-N 3.5Å; D1076-Q1081 PolarHBondContact OD2-N 2.8Å; D1076-Q1081 VanDerWaalsContact OD2-N 3.15Å
1077D54.6Low62.8Low143 Ų14375.8 Ų75.877%0.76544%0.435SS*.THydrogen-bonded Turntrans-59.2-18.1-168.7-79.1-21.7000112.8T1075T1075-D1077 PolarHBondContact O-N 2Å
1078H59Low65.2Low89 Ų8968.4 Ų68.441%0.41240%0.396SS..THydrogen-bonded Turntrans-111.35178.7-67-77000115.1D1076 I1080D1076-H1078 PolarHBondContact O-N 2.95Å; H1078-I1080 VanDerWaalsContact C-N 3.27Å; H1078-I1080 HydrophobicContact CB-CD1 3.92Å; H1078-I1080 HydrophobicContact CB-CG1 3.79Å; H1078-I1080 PolarHBondContact O-N 3.45Å
1079N73.2Confident67.5Low63 Ų6360.9 Ų60.934%0.33736%0.356SS..  trans48.744.8179.2-173.229.8000113S978 D1076 N1082S978-N1079 WeakPolarHBondContact CB-O 3.48Å; S978-N1079 PolarHBondContact OG-O 3.35Å; D1076-N1079 PolarHBondContact O-N 3.46Å; N1079-N1082 PolarHBondContact O-ND2 2.84Å
1080I78.9Confident70.1Confident14 Ų1456.8 Ų56.87%0.07232%0.321CS..  trans-78.5-40.3-175.2-61.7169.9000109.8D1076 H1078 N1082 N1085 E1146D1076-I1080 PolarHBondContact OD2-N 3.5Å; H1078-I1080 VanDerWaalsContact C-N 3.27Å; H1078-I1080 HydrophobicContact CB-CD1 3.92Å; H1078-I1080 HydrophobicContact CB-CG1 3.79Å; H1078-I1080 PolarHBondContact O-N 3.45Å; I1080-N1082 PolarHBondContact O-N 2.78Å; I1080-N1082 VanDerWaalsContact O-N 3.09Å; I1080-N1085 PolarHBondContact O-ND2 3.08Å; I1080-E1146 HydrophobicContact CG2-CB 4.47Å; I1080-E1146 WeakPolarHBondContact CG2-OE2 3.26Å
1081Q80.5Confident72.7Confident57 Ų5751.1 Ų51.127%0.26628%0.281SS..SBendtrans-77.293.3176.5-66.2-171.9-4.500111W1054 D1076 E1146 V1148W1054-Q1081 HydrophobicContact CD2-CB 4.31Å; W1054-Q1081 HydrophobicContact CE3-CB 4.09Å; W1054-Q1081 HydrophobicContact CH2-CB 3.6Å; W1054-Q1081 HydrophobicContact CH2-CG 4.37Å; W1054-Q1081 HydrophobicContact CZ2-CB 3.84Å; W1054-Q1081 VanDerWaalsContact CZ2-OE1 3.26Å; W1054-Q1081 HydrophobicContact CZ3-CB 3.73Å; D1076-Q1081 PolarHBondContact OD2-N 2.8Å; D1076-Q1081 VanDerWaalsContact OD2-N 3.15Å; Q1081-E1146 HydrophobicContact CG-CB 4.15Å; Q1081-V1148 HydrophobicContact CB-CG2 3.88Å
1082N86.1Confident75.3Confident3 Ų348 Ų482%0.01625%0.249CC..  trans-145.2166.8172.963.251.1000113.2S978 W1054 N1079 I1080 E1084 N1085 T1086S978-N1082 WeakPolarHBondContact CB-ND2 3.41Å; S978-N1082 PolarHBondContact OG-ND2 2.95Å; W1054-N1082 HydrophobicContact CB-CB 4.41Å; N1079-N1082 PolarHBondContact O-ND2 2.84Å; I1080-N1082 PolarHBondContact O-N 2.78Å; I1080-N1082 VanDerWaalsContact O-N 3.09Å; N1082-E1084 VanDerWaalsContact C-N 3.33Å; N1082-E1084 PolarHBondContact OD1-N 3.42Å; N1082-N1085 WeakPolarHBondContact OD1-CA 3.43Å; N1082-N1085 WeakPolarHBondContact OD1-CB 3.28Å; N1082-N1085 PolarHBondContact OD1-N 2.94Å; N1082-T1086 PolarHBondContact O-N 3.2Å; N1082-T1086 VanDerWaalsContact O-N 3.16Å; N1082-T1086 PolarHBondContact O-OG1 3.22Å; N1082-T1086 VanDerWaalsContact O-OG1 3.08Å
1083F87.1Confident77.9Confident3 Ų342.2 Ų42.21%0.01322%0.219CC..Hα-helixtrans-70.4-31.4-176.3-61.9-63.7000112.1V1045 W1050 F1051 E1052 W1054 V1060 S1087 V1148 V1150V1045-F1083 HydrophobicContact CG2-CB 4.25Å; W1050-F1083 HydrophobicContact CZ3-CB 4.3Å; W1050-F1083 AromaticContact CZ3-CD1 3.96Å; W1050-F1083 HydrophobicContact CZ3-CD1 3.96Å; W1050-F1083 HydrophobicContact CZ3-CD2 4.47Å; W1050-F1083 HydrophobicContact CZ3-CE1 4.37Å; W1050-F1083 HydrophobicContact CZ3-CG 4.01Å; F1051-F1083 HydrophobicContact CD2-CB 4.46Å; F1051-F1083 HydrophobicContact CD2-CD2 4.46Å; F1051-F1083 HydrophobicContact CE2-CB 4.38Å; E1052-F1083 WeakPolarHBondContact O-CD2 3.32Å; E1052-F1083 WeakPolarHBondContact O-CE2 3.35Å; W1054-F1083 HydrophobicContact CB-CD2 4.3Å; W1054-F1083 HydrophobicContact CB-CE2 4.13Å; W1054-F1083 AromaticContact CD1-CZ 3.88Å; V1060-F1083 HydrophobicContact CG2-CE1 4.49Å; V1060-F1083 HydrophobicContact CG2-CZ 4.44Å; F1083-S1087 WeakPolarHBondContact O-CB 3.46Å; F1083-S1087 PolarHBondContact O-N 3.46Å; F1083-S1087 VanDerWaalsContact O-N 3.08Å; F1083-S1087 PolarHBondContact O-OG 2.93Å; F1083-V1148 HydrophobicContact CD1-CB 4.43Å; F1083-V1148 HydrophobicContact CD1-CG1 3.58Å; F1083-V1148 HydrophobicContact CE1-CG1 3.38Å; F1083-V1148 HydrophobicContact CZ-CG1 4.18Å; F1083-V1150 HydrophobicContact CD1-CG1 3.95Å
1084E90.1Very high80.5Confident20 Ų2034.2 Ų34.29%0.09318%0.176CC..Hα-helixtrans-65.5-50.7176.4-64.593.9143.200112L973 F1042 V1045 Q1046 F1051 N1082 S1087 L1088L973-E1084 HydrophobicContact CD2-CB 4.39Å; F1042-E1084 HydrophobicContact CD2-CB 4.11Å; F1042-E1084 HydrophobicContact CD2-CG 4.31Å; F1042-E1084 HydrophobicContact CE2-CB 3.93Å; F1042-E1084 HydrophobicContact CE2-CG 4.03Å; V1045-E1084 HydrophobicContact CG1-CB 4.49Å; V1045-E1084 HydrophobicContact CG1-CG 3.89Å; Q1046-E1084 HydrophobicContact CG-CG 4.38Å; F1051-E1084 HydrophobicContact CE2-CG 4.39Å; F1051-E1084 WeakPolarHBondContact CZ-OE1 3.42Å; N1082-E1084 VanDerWaalsContact C-N 3.33Å; N1082-E1084 PolarHBondContact OD1-N 3.42Å; E1084-S1087 PolarHBondContact O-N 3.5Å; E1084-L1088 WeakPolarHBondContact O-CB 3.48Å; E1084-L1088 WeakPolarHBondContact O-CG 3.38Å; E1084-L1088 PolarHBondContact O-N 2.85Å
1085N91.4Very high83Confident0 Ų027.2 Ų27.20%014%0.143CC..Hα-helixtrans-58.7-50.4177.3-176.119.9000110.1L973 L980 Q984 I1080 N1082 S1087 L1088 F1089L973-N1085 HydrophobicContact CD1-CB 4.43Å; L973-N1085 HydrophobicContact CD2-CB 3.92Å; L980-N1085 VanDerWaalsContact CD2-OD1 3.31Å; L980-N1085 WeakPolarHBondContact CD2-OD1 3.41Å; Q984-N1085 PolarHBondContact OE1-ND2 2.82Å; Q984-N1085 PolarHBondContact OE1-OD1 3.31Å; I1080-N1085 PolarHBondContact O-ND2 3.08Å; N1082-N1085 WeakPolarHBondContact OD1-CA 3.43Å; N1082-N1085 WeakPolarHBondContact OD1-CB 3.28Å; N1082-N1085 PolarHBondContact OD1-N 2.94Å; N1085-S1087 VanDerWaalsContact C-N 3.31Å; N1085-S1087 PolarHBondContact O-N 2.75Å; N1085-L1088 PolarHBondContact O-N 3.21Å; N1085-F1089 VanDerWaalsContact O-CB 3.26Å; N1085-F1089 WeakPolarHBondContact O-CB 3.37Å; N1085-F1089 PolarHBondContact O-N 3.23Å
1086T91.4Very high85.3Confident0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-56.1-45.8176.4-63.30000112.3N1082 F1089 Y1090 I1147 V1148 V1150N1082-T1086 PolarHBondContact O-N 3.2Å; N1082-T1086 VanDerWaalsContact O-N 3.16Å; N1082-T1086 PolarHBondContact O-OG1 3.22Å; N1082-T1086 VanDerWaalsContact O-OG1 3.08Å; T1086-F1089 PolarHBondContact O-N 3.29Å; T1086-Y1090 HydrophobicContact CG2-CD2 3.92Å; T1086-Y1090 HydrophobicContact CG2-CE2 3.64Å; T1086-Y1090 WeakPolarHBondContact O-CD2 3.19Å; T1086-Y1090 PolarHBondContact O-N 2.69Å; T1086-I1147 HydrophobicContact CG2-CG2 3.64Å; T1086-V1148 WeakPolarHBondContact CG2-O 3.46Å; T1086-V1148 PolarHBondContact OG1-N 3.01Å; T1086-V1150 HydrophobicContact CG2-CG1 4.24Å
1087S92.9Very high87.3Confident0 Ų019.2 Ų19.20%010%0.096CC..Hα-helixtrans-67.6-40.7-178.8-58.80000111.9F1083 E1084 N1085 V1091 W1154F1083-S1087 WeakPolarHBondContact O-CB 3.46Å; F1083-S1087 PolarHBondContact O-N 3.46Å; F1083-S1087 VanDerWaalsContact O-N 3.08Å; F1083-S1087 PolarHBondContact O-OG 2.93Å; E1084-S1087 PolarHBondContact O-N 3.5Å; N1085-S1087 VanDerWaalsContact C-N 3.31Å; N1085-S1087 PolarHBondContact O-N 2.75Å; S1087-V1091 WeakPolarHBondContact O-CG2 3.21Å; S1087-V1091 PolarHBondContact O-N 2.94Å; S1087-W1154 PolarHBondContact OG-NE1 3.01Å
1088L93.5Very high89.1Confident0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-69.5-39.6176.3-78.6179000112.3L972 L973 Q1038 F1042 E1084 N1085 Y1090 V1091 S1092L972-L1088 HydrophobicContact CB-CD1 4.13Å; L972-L1088 HydrophobicContact CD1-CD2 4.36Å; L973-L1088 HydrophobicContact CD2-CD1 3.89Å; L973-L1088 HydrophobicContact CG-CD1 3.88Å; Q1038-L1088 HydrophobicContact CB-CD2 4.02Å; Q1038-L1088 HydrophobicContact CG-CD2 4.36Å; F1042-L1088 HydrophobicContact CB-CD1 4.47Å; F1042-L1088 HydrophobicContact CB-CD2 4.3Å; F1042-L1088 HydrophobicContact CD2-CD1 3.63Å; F1042-L1088 HydrophobicContact CD2-CG 4.34Å; F1042-L1088 HydrophobicContact CE2-CD1 4.35Å; F1042-L1088 HydrophobicContact CG-CD1 4.45Å; E1084-L1088 WeakPolarHBondContact O-CB 3.48Å; E1084-L1088 WeakPolarHBondContact O-CG 3.38Å; E1084-L1088 PolarHBondContact O-N 2.85Å; N1085-L1088 PolarHBondContact O-N 3.21Å; L1088-Y1090 PolarHBondContact O-N 2.83Å; L1088-V1091 PolarHBondContact O-N 3.19Å; L1088-S1092 VanDerWaalsContact O-CB 3.24Å; L1088-S1092 WeakPolarHBondContact O-CB 3.36Å; L1088-S1092 PolarHBondContact O-N 2.91Å; L1088-S1092 PolarHBondContact O-OG 2.89Å
1089F94.1Very high90.8Very high0 Ų08.8 Ų8.80%04%0.044CC..Hα-helixtrans-58.4-46.7177.1173.1-101.9000111.2Q984 F987 I988 N1085 T1086 S1092 S1093 I1147Q984-F1089 HydrophobicContact CB-CD2 3.88Å; Q984-F1089 HydrophobicContact CB-CE2 3.77Å; Q984-F1089 HydrophobicContact CG-CD2 3.98Å; Q984-F1089 HydrophobicContact CG-CE2 3.98Å; F987-F1089 HydrophobicContact CD1-CE2 4.3Å; F987-F1089 AromaticContact CD1-CZ 3.82Å; F987-F1089 HydrophobicContact CD1-CZ 3.82Å; F987-F1089 HydrophobicContact CE1-CZ 4.23Å; I988-F1089 HydrophobicContact CD1-CD2 4.33Å; I988-F1089 HydrophobicContact CD1-CE2 4.26Å; I988-F1089 HydrophobicContact CG1-CE2 4.26Å; N1085-F1089 VanDerWaalsContact O-CB 3.26Å; N1085-F1089 WeakPolarHBondContact O-CB 3.37Å; N1085-F1089 PolarHBondContact O-N 3.23Å; T1086-F1089 PolarHBondContact O-N 3.29Å; F1089-S1092 PolarHBondContact O-OG 3.08Å; F1089-S1092 VanDerWaalsContact O-OG 3.07Å; F1089-S1093 WeakPolarHBondContact O-CB 3.24Å; F1089-S1093 PolarHBondContact O-N 3.37Å; F1089-S1093 PolarHBondContact O-OG 3.3Å; F1089-I1147 HydrophobicContact CD1-CD1 3.98Å; F1089-I1147 HydrophobicContact CD1-CG1 4.39Å; F1089-I1147 HydrophobicContact CE1-CD1 3.71Å; F1089-I1147 HydrophobicContact CE1-CG1 4.48Å
1090Y93.8Very high91.7Very high7 Ų75.9 Ų5.93%0.0273%0.028CC..Hα-helixtrans-63.8-50.4176.1-75.3-56.7000112.1T1086 L1088 S1092 S1093 F1094 I1133 M1134 I1147 L1158T1086-Y1090 HydrophobicContact CG2-CD2 3.92Å; T1086-Y1090 HydrophobicContact CG2-CE2 3.64Å; T1086-Y1090 WeakPolarHBondContact O-CD2 3.19Å; T1086-Y1090 PolarHBondContact O-N 2.69Å; L1088-Y1090 PolarHBondContact O-N 2.83Å; Y1090-S1092 PolarHBondContact O-N 3.34Å; Y1090-S1093 PolarHBondContact O-N 3.23Å; Y1090-F1094 WeakPolarHBondContact O-CD2 3.26Å; Y1090-F1094 PolarHBondContact O-N 2.85Å; Y1090-F1094 VanDerWaalsContact O-N 3.09Å; Y1090-I1133 HydrophobicContact CE1-CD1 3.94Å; Y1090-I1133 HydrophobicContact CE1-CG1 3.97Å; Y1090-I1133 PolarHBondContact OH-O 2.85Å; Y1090-M1134 HydrophobicContact CD1-CB 4.15Å; Y1090-M1134 HydrophobicContact CD1-CG 4.31Å; Y1090-M1134 HydrophobicContact CE1-CB 3.84Å; Y1090-M1134 HydrophobicContact CE1-CG 4.3Å; Y1090-M1134 HydrophobicContact CG-CG 4.46Å; Y1090-I1147 HydrophobicContact CE2-CG2 4.14Å; Y1090-L1158 HydrophobicContact CD2-CD1 4.48Å
1091V95.1Very high92.3Very high0 Ų09.4 Ų9.40%05%0.046CC..Hα-helixtrans-62.9-44.1-177.8170.70000111.9Q1038 T1041 S1087 L1088 Q1095 L1158 I1161 I1162Q1038-V1091 HydrophobicContact CG-CG1 4.42Å; T1041-V1091 HydrophobicContact CG2-CG2 3.85Å; S1087-V1091 WeakPolarHBondContact O-CG2 3.21Å; S1087-V1091 PolarHBondContact O-N 2.94Å; L1088-V1091 PolarHBondContact O-N 3.19Å; V1091-Q1095 HydrophobicContact CG1-CG 4.48Å; V1091-Q1095 WeakPolarHBondContact O-CB 3.44Å; V1091-Q1095 VanDerWaalsContact O-CG 3.25Å; V1091-Q1095 WeakPolarHBondContact O-CG 2.81Å; V1091-Q1095 PolarHBondContact O-N 3.32Å; V1091-L1158 HydrophobicContact CG2-CD2 4.05Å; V1091-I1161 HydrophobicContact CG2-CG2 4.47Å; V1091-I1162 HydrophobicContact CG2-CG1 4.37Å
1092S94.9Very high92.8Very high0 Ų07.1 Ų7.10%04%0.036CC..Hα-helixtrans-65.4-42.7177590000112.1L1088 F1089 Y1090 F1094 Q1095 Y1096L1088-S1092 VanDerWaalsContact O-CB 3.24Å; L1088-S1092 WeakPolarHBondContact O-CB 3.36Å; L1088-S1092 PolarHBondContact O-N 2.91Å; L1088-S1092 PolarHBondContact O-OG 2.89Å; F1089-S1092 PolarHBondContact O-OG 3.08Å; F1089-S1092 VanDerWaalsContact O-OG 3.07Å; Y1090-S1092 PolarHBondContact O-N 3.34Å; S1092-F1094 PolarHBondContact O-N 3.14Å; S1092-Q1095 WeakPolarHBondContact O-CA 3.4Å; S1092-Q1095 WeakPolarHBondContact O-CB 3.19Å; S1092-Q1095 PolarHBondContact O-N 2.91Å; S1092-Y1096 WeakPolarHBondContact O-CD2 3.16Å; S1092-Y1096 WeakPolarHBondContact O-CE2 3.34Å; S1092-Y1096 PolarHBondContact O-N 3.46Å
1093S94.9Very high92.9Very high0 Ų07.2 Ų7.20%04%0.036CC..Hα-helixtrans-58.3-44.6176.9-67.70000112.6F1089 Y1090F1089-S1093 WeakPolarHBondContact O-CB 3.24Å; F1089-S1093 PolarHBondContact O-N 3.37Å; F1089-S1093 PolarHBondContact O-OG 3.3Å; Y1090-S1093 PolarHBondContact O-N 3.23Å
1094F95.6Very high92.9Very high0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-71.3-33.4174.3-77.5-72.6000112.7Y1090 S1092 Y1096 L1097 I1098 Y1127 L1130 L1131 M1134 I1162Y1090-F1094 WeakPolarHBondContact O-CD2 3.26Å; Y1090-F1094 PolarHBondContact O-N 2.85Å; Y1090-F1094 VanDerWaalsContact O-N 3.09Å; S1092-F1094 PolarHBondContact O-N 3.14Å; F1094-Y1096 VanDerWaalsContact C-N 3.33Å; F1094-Y1096 PolarHBondContact O-N 3.4Å; F1094-L1097 PolarHBondContact O-N 3.15Å; F1094-I1098 WeakPolarHBondContact O-CD1 3.23Å; F1094-I1098 VanDerWaalsContact O-CG1 3.23Å; F1094-I1098 WeakPolarHBondContact O-CG1 3.46Å; F1094-I1098 PolarHBondContact O-N 2.69Å; F1094-Y1127 AromaticContact CD1-CD2 3.75Å; F1094-Y1127 HydrophobicContact CD1-CD2 3.75Å; F1094-Y1127 AromaticContact CD1-CE2 3.46Å; F1094-Y1127 HydrophobicContact CD1-CE2 3.46Å; F1094-Y1127 VanDerWaalsContact CD1-CE2 3.46Å; F1094-Y1127 HydrophobicContact CE1-CD1 4.46Å; F1094-Y1127 AromaticContact CE1-CD2 3.75Å; F1094-Y1127 HydrophobicContact CE1-CD2 3.75Å; F1094-Y1127 HydrophobicContact CE1-CE1 4.37Å; F1094-Y1127 AromaticContact CE1-CE2 3.62Å; F1094-Y1127 HydrophobicContact CE1-CE2 3.62Å; F1094-Y1127 HydrophobicContact CE1-CG 4.17Å; F1094-Y1127 AromaticContact CE1-CZ 3.93Å; F1094-L1130 HydrophobicContact CD1-CD1 4.28Å; F1094-L1130 HydrophobicContact CE1-CB 3.79Å; F1094-L1130 HydrophobicContact CE1-CD1 4.27Å; F1094-L1130 HydrophobicContact CE2-CB 3.99Å; F1094-L1130 HydrophobicContact CZ-CB 3.47Å; F1094-L1130 VanDerWaalsContact CZ-CB 3.47Å; F1094-L1130 HydrophobicContact CZ-CD1 4.5Å; F1094-L1131 HydrophobicContact CE1-CD2 4.2Å; F1094-L1131 HydrophobicContact CE1-CG 4.12Å; F1094-L1131 HydrophobicContact CZ-CD2 3.73Å; F1094-L1131 HydrophobicContact CZ-CG 3.88Å; F1094-M1134 HydrophobicContact CE2-SD 4.27Å; F1094-I1162 HydrophobicContact CB-CD1 4.27Å; F1094-I1162 HydrophobicContact CB-CG1 4.13Å; F1094-I1162 HydrophobicContact CB-CG2 3.61Å; F1094-I1162 HydrophobicContact CD1-CG2 4.15Å; F1094-I1162 HydrophobicContact CD2-CD1 3.29Å; F1094-I1162 HydrophobicContact CD2-CG1 4.09Å; F1094-I1162 HydrophobicContact CD2-CG2 4.26Å; F1094-I1162 HydrophobicContact CE2-CD1 3.77Å; F1094-I1162 HydrophobicContact CG-CD1 3.95Å; F1094-I1162 HydrophobicContact CG-CG1 4.31Å; F1094-I1162 HydrophobicContact CG-CG2 3.77Å
1095Q95.5Very high92.4Very high1 Ų19 Ų91%0.0054%0.044CC..Hα-helixtrans-58.8-42.3173.9-83.8173.5-13.100112.2I965 C1034 V1091 S1092 L1097 I1098 V1099 N1165I965-Q1095 HydrophobicContact CD1-CB 4.3Å; I965-Q1095 HydrophobicContact CG2-CB 4.4Å; C1034-Q1095 PolarHBondContact O-NE2 3.23Å; V1091-Q1095 HydrophobicContact CG1-CG 4.48Å; V1091-Q1095 WeakPolarHBondContact O-CB 3.44Å; V1091-Q1095 VanDerWaalsContact O-CG 3.25Å; V1091-Q1095 WeakPolarHBondContact O-CG 2.81Å; V1091-Q1095 PolarHBondContact O-N 3.32Å; S1092-Q1095 WeakPolarHBondContact O-CA 3.4Å; S1092-Q1095 WeakPolarHBondContact O-CB 3.19Å; S1092-Q1095 PolarHBondContact O-N 2.91Å; Q1095-L1097 VanDerWaalsContact C-N 3.33Å; Q1095-L1097 PolarHBondContact O-N 2.9Å; Q1095-I1098 PolarHBondContact O-N 3.16Å; Q1095-V1099 WeakPolarHBondContact O-CB 3.41Å; Q1095-V1099 VanDerWaalsContact O-CG2 3.29Å; Q1095-V1099 WeakPolarHBondContact O-CG2 3.28Å; Q1095-V1099 PolarHBondContact O-N 3.01Å; Q1095-N1165 WeakPolarHBondContact CG-ND2 3Å; Q1095-N1165 PolarHBondContact NE2-ND2 3.35Å; Q1095-N1165 VanDerWaalsContact NE2-ND2 3.18Å
1096Y95.1Very high91.8Very high1 Ų19.6 Ų9.60%0.0045%0.049CC..Hα-helixtrans-57.3-46.5175.3-57.4-50.6000111.6F958 I965 I988 I993 S1092 F1094 V1099 A1100F958-Y1096 WeakPolarHBondContact CE2-O 3.23Å; I965-Y1096 HydrophobicContact CB-CD1 4.36Å; I965-Y1096 HydrophobicContact CB-CE1 3.69Å; I965-Y1096 HydrophobicContact CD1-CD1 4.24Å; I965-Y1096 HydrophobicContact CD1-CE1 4.41Å; I965-Y1096 HydrophobicContact CG2-CD1 4Å; I965-Y1096 HydrophobicContact CG2-CE1 3.32Å; I988-Y1096 HydrophobicContact CB-CE2 4.36Å; I988-Y1096 HydrophobicContact CD1-CE2 4.11Å; I988-Y1096 HydrophobicContact CG1-CE2 4Å; I988-Y1096 HydrophobicContact CG2-CD2 3.98Å; I988-Y1096 HydrophobicContact CG2-CE2 3.45Å; I988-Y1096 VanDerWaalsContact CG2-CE2 3.45Å; I993-Y1096 HydrophobicContact CD1-CD1 4.1Å; I993-Y1096 HydrophobicContact CD1-CG 4Å; S1092-Y1096 WeakPolarHBondContact O-CD2 3.16Å; S1092-Y1096 WeakPolarHBondContact O-CE2 3.34Å; S1092-Y1096 PolarHBondContact O-N 3.46Å; F1094-Y1096 VanDerWaalsContact C-N 3.33Å; F1094-Y1096 PolarHBondContact O-N 3.4Å; Y1096-V1099 PolarHBondContact O-N 3.03Å; Y1096-A1100 WeakPolarHBondContact O-CB 3.08Å; Y1096-A1100 PolarHBondContact O-N 3.45Å
1097L94.6Very high91.3Very high2 Ų216.5 Ų16.51%0.018%0.08CC..Hα-helixtrans-66.6-41.3178.1-65.2-179.5000112.7I992 I996 F1094 Q1095 A1100 I1101 L1126 Y1127 L1130I992-L1097 HydrophobicContact CG2-CD2 3.92Å; I992-L1097 HydrophobicContact CG2-CG 4.41Å; I996-L1097 HydrophobicContact CD1-CD2 4.12Å; I996-L1097 HydrophobicContact CG1-CD2 4.11Å; F1094-L1097 PolarHBondContact O-N 3.15Å; Q1095-L1097 VanDerWaalsContact C-N 3.33Å; Q1095-L1097 PolarHBondContact O-N 2.9Å; L1097-A1100 WeakPolarHBondContact O-CB 3.19Å; L1097-A1100 PolarHBondContact O-N 3.39Å; L1097-I1101 WeakPolarHBondContact O-CG1 3.49Å; L1097-I1101 PolarHBondContact O-N 3.36Å; L1097-I1101 VanDerWaalsContact O-N 3.1Å; L1097-L1126 HydrophobicContact CD1-CB 4.1Å; L1097-L1126 HydrophobicContact CD2-CB 4.1Å; L1097-L1126 HydrophobicContact CD2-CD1 4.15Å; L1097-Y1127 HydrophobicContact CD1-CD2 4.05Å; L1097-L1130 HydrophobicContact CD1-CD1 3.65Å
1098I94.1Very high90.8Very high12 Ų1217.9 Ų17.96%0.0629%0.089CC..Hα-helixtrans-59.1-50.6176.6-70.6162.1000109.9F1094 Q1095 A1100 I1101 V1102 I1162 A1166F1094-I1098 WeakPolarHBondContact O-CD1 3.23Å; F1094-I1098 VanDerWaalsContact O-CG1 3.23Å; F1094-I1098 WeakPolarHBondContact O-CG1 3.46Å; F1094-I1098 PolarHBondContact O-N 2.69Å; Q1095-I1098 PolarHBondContact O-N 3.16Å; I1098-A1100 VanDerWaalsContact C-N 3.33Å; I1098-A1100 PolarHBondContact O-N 3.04Å; I1098-I1101 PolarHBondContact O-N 3.09Å; I1098-V1102 HydrophobicContact CG2-CG2 4.15Å; I1098-V1102 WeakPolarHBondContact O-CB 3.22Å; I1098-V1102 WeakPolarHBondContact O-CG2 3.46Å; I1098-V1102 PolarHBondContact O-N 2.98Å; I1098-I1162 HydrophobicContact CD1-CG2 4.26Å; I1098-A1166 HydrophobicContact CD1-CB 3.74Å; I1098-A1166 HydrophobicContact CG1-CB 3.88Å; I1098-A1166 HydrophobicContact CG2-CB 4.35Å
1099V93.4Very high90.6Very high2 Ų218.5 Ų18.51%0.0129%0.091CC..Hα-helixtrans-61.3-41.7179.8169.40000111.4F958 L961 I965 Q1095 Y1096 I1101 V1102 F1103F958-V1099 HydrophobicContact CD2-CG1 4Å; L961-V1099 HydrophobicContact CB-CG1 4.26Å; L961-V1099 HydrophobicContact CD2-CB 4.21Å; L961-V1099 HydrophobicContact CD2-CG1 3.46Å; L961-V1099 VanDerWaalsContact CD2-CG1 3.46Å; L961-V1099 HydrophobicContact CD2-CG2 3.6Å; L961-V1099 HydrophobicContact CG-CG1 4.06Å; L961-V1099 HydrophobicContact CG-CG2 4.25Å; I965-V1099 HydrophobicContact CD1-CG2 4.07Å; Q1095-V1099 WeakPolarHBondContact O-CB 3.41Å; Q1095-V1099 VanDerWaalsContact O-CG2 3.29Å; Q1095-V1099 WeakPolarHBondContact O-CG2 3.28Å; Q1095-V1099 PolarHBondContact O-N 3.01Å; Y1096-V1099 PolarHBondContact O-N 3.03Å; V1099-I1101 VanDerWaalsContact C-N 3.3Å; V1099-I1101 PolarHBondContact O-N 3.43Å; V1099-V1102 PolarHBondContact O-N 2.91Å; V1099-F1103 HydrophobicContact CG1-CD2 3.53Å; V1099-F1103 HydrophobicContact CG1-CE2 3.4Å; V1099-F1103 HydrophobicContact CG1-CG 4.43Å; V1099-F1103 HydrophobicContact CG1-CZ 4.2Å; V1099-F1103 PolarHBondContact O-N 3.31Å
1100A92.6Very high90.4Very high1 Ų118.5 Ų18.51%0.0089%0.091CC..Hα-helixtrans-57.5-43.9176.100000112.1F958 I996 Y1096 L1097 I1098 S1104F958-A1100 HydrophobicContact CD2-CB 4.03Å; F958-A1100 HydrophobicContact CE2-CB 3.61Å; F958-A1100 HydrophobicContact CZ-CB 4.26Å; I996-A1100 HydrophobicContact CG2-CB 3.48Å; I996-A1100 VanDerWaalsContact CG2-CB 3.48Å; Y1096-A1100 WeakPolarHBondContact O-CB 3.08Å; Y1096-A1100 PolarHBondContact O-N 3.45Å; L1097-A1100 WeakPolarHBondContact O-CB 3.19Å; L1097-A1100 PolarHBondContact O-N 3.39Å; I1098-A1100 VanDerWaalsContact C-N 3.33Å; I1098-A1100 PolarHBondContact O-N 3.04Å; A1100-S1104 VanDerWaalsContact O-CB 3.23Å; A1100-S1104 WeakPolarHBondContact O-CB 3.11Å; A1100-S1104 PolarHBondContact O-N 3.33Å; A1100-S1104 PolarHBondContact O-OG 3.04Å
1101I91.3Very high90.2Very high88 Ų8819.7 Ų19.745%0.45110%0.097SC..Hα-helixtrans-68.1-45.1177.9-66166.8000110.5L1097 I1098 V1099 F1103 S1104L1097-I1101 WeakPolarHBondContact O-CG1 3.49Å; L1097-I1101 PolarHBondContact O-N 3.36Å; L1097-I1101 VanDerWaalsContact O-N 3.1Å; I1098-I1101 PolarHBondContact O-N 3.09Å; V1099-I1101 VanDerWaalsContact C-N 3.3Å; V1099-I1101 PolarHBondContact O-N 3.43Å; I1101-F1103 PolarHBondContact O-N 3.29Å; I1101-S1104 PolarHBondContact O-N 3.33Å
1102V90.3Very high89.9Confident9 Ų920.5 Ų20.56%0.05510%0.103CC..Hα-helixtrans-60.9-41.3-1791700000111.8I1098 V1099 V1170 E1173I1098-V1102 HydrophobicContact CG2-CG2 4.15Å; I1098-V1102 WeakPolarHBondContact O-CB 3.22Å; I1098-V1102 WeakPolarHBondContact O-CG2 3.46Å; I1098-V1102 PolarHBondContact O-N 2.98Å; V1099-V1102 PolarHBondContact O-N 2.91Å; V1102-V1170 HydrophobicContact CG2-CG2 3.78Å; V1102-E1173 HydrophobicContact CG1-CB 3.49Å; V1102-E1173 VanDerWaalsContact CG1-CB 3.49Å; V1102-E1173 HydrophobicContact CG1-CG 3.5Å
1103F89.3Confident89.5Confident5 Ų522.3 Ų22.32%0.02212%0.115CC..Hα-helixtrans-84.1-9.4178.4-65.5-25.1000114.5C954 K957 F958 L961 M1000 Q1030 V1099 I1101 K1105 R1110C954-F1103 PolarHBondContact SG-O 3.46Å; K957-F1103 HydrophobicContact CB-CD2 3.72Å; K957-F1103 HydrophobicContact CB-CE2 3.68Å; K957-F1103 HydrophobicContact CB-CG 4.27Å; K957-F1103 HydrophobicContact CB-CZ 4.22Å; K957-F1103 HydrophobicContact CD-CD1 4.13Å; K957-F1103 HydrophobicContact CD-CE1 4.1Å; K957-F1103 HydrophobicContact CD-CE2 4.46Å; K957-F1103 HydrophobicContact CD-CG 4.35Å; K957-F1103 HydrophobicContact CD-CZ 4.27Å; F958-F1103 HydrophobicContact CB-CD2 4.37Å; L961-F1103 HydrophobicContact CB-CE2 4.18Å; L961-F1103 HydrophobicContact CD2-CE2 3.65Å; L961-F1103 HydrophobicContact CD2-CZ 3.67Å; M1000-F1103 HydrophobicContact CE-CB 4.15Å; Q1030-F1103 HydrophobicContact CB-CZ 4.4Å; Q1030-F1103 HydrophobicContact CG-CE1 4.11Å; Q1030-F1103 HydrophobicContact CG-CZ 4.09Å; V1099-F1103 HydrophobicContact CG1-CD2 3.53Å; V1099-F1103 HydrophobicContact CG1-CE2 3.4Å; V1099-F1103 HydrophobicContact CG1-CG 4.43Å; V1099-F1103 HydrophobicContact CG1-CZ 4.2Å; V1099-F1103 PolarHBondContact O-N 3.31Å; I1101-F1103 PolarHBondContact O-N 3.29Å; F1103-K1105 PolarHBondContact O-N 2.88Å; F1103-K1105 VanDerWaalsContact O-N 3.14Å; F1103-R1110 PolarHBondContact O-NH2 3.46Å
1104S86.3Confident89.1Confident0 Ų029.9 Ų29.90%015%0.145CC..  trans-81.122.9178-700000114.4M1000 A1100 I1101 G1106 F1119M1000-S1104 WeakPolarHBondContact CE-OG 3.32Å; M1000-S1104 WeakPolarHBondContact CG-OG 3.14Å; A1100-S1104 VanDerWaalsContact O-CB 3.23Å; A1100-S1104 WeakPolarHBondContact O-CB 3.11Å; A1100-S1104 PolarHBondContact O-N 3.33Å; A1100-S1104 PolarHBondContact O-OG 3.04Å; I1101-S1104 PolarHBondContact O-N 3.33Å; S1104-G1106 PolarHBondContact O-N 3.49Å; S1104-F1119 VanDerWaalsContact OG-CZ 3.27Å; S1104-F1119 WeakPolarHBondContact OG-CZ 3.31Å
1105K80.8Confident88.7Confident62 Ų6235 Ų3527%0.2717%0.167SC..  trans-53.8131.6176.4-70-171.6-177.7-176.70111.7F1103 R1110 E1173 D1178F1103-K1105 PolarHBondContact O-N 2.88Å; F1103-K1105 VanDerWaalsContact O-N 3.14Å; K1105-R1110 PolarHBondContact O-NE 2.91Å; K1105-R1110 PolarHBondContact O-NH2 3.23Å; K1105-E1173 PolarHBondContact NZ-O 2.95Å; K1105-D1178 VanDerWaalsContact NZ-CG 3.33Å; K1105-D1178 IonicContact NZ-OD1 3.2Å; K1105-D1178 PolarHBondContact NZ-OD1 2.96Å; K1105-D1178 IonicContact NZ-OD2 2.78Å; K1105-D1178 PolarHBondContact NZ-OD2 2.87Å
1106G78.8Confident88.5Confident11 Ų1135.3 Ų35.311%0.11317%0.168CC..  trans-86.1-75.8-176.800000113.7S1104 F1109 R1110 Q1111S1104-G1106 PolarHBondContact O-N 3.49Å; G1106-F1109 PolarHBondContact O-N 3.31Å; G1106-R1110 CarbonylContact C-O 3.54Å; G1106-R1110 CarbonylContact O-C 3.55Å; G1106-R1110 WeakPolarHBondContact O-CA 3.26Å; G1106-R1110 WeakPolarHBondContact O-CB 3.24Å; G1106-R1110 PolarHBondContact O-N 3.39Å; G1106-Q1111 VanDerWaalsContact CA-O 3.27Å; G1106-Q1111 WeakPolarHBondContact CA-O 3.25Å
1107K79.9Confident88.3Confident145 Ų14543.6 Ų43.663%0.6320%0.2SC*.THydrogen-bonded Turntrans-61.3142.9-175.7-63.8-176.2179.6-176.30110.7W1006 R1110W1006-K1107 HydrophobicContact CE3-CG 4.5Å; W1006-K1107 HydrophobicContact CH2-CD 4.47Å; W1006-K1107 HydrophobicContact CH2-CG 4.41Å; W1006-K1107 HydrophobicContact CZ3-CG 4.19Å; K1107-R1110 PolarHBondContact N-O 3.05Å
1108P83.5Confident88.3Confident30 Ų3046.4 Ų46.420%0.19522%0.218CC..THydrogen-bonded Turncis-94.9-5834.6-33.9000115.6W1006 V1010W1006-P1108 WeakPolarHBondContact CB-O 3.43Å; V1010-P1108 HydrophobicContact CB-CB 4.48Å; V1010-P1108 HydrophobicContact CG1-CB 4.18Å; V1010-P1108 HydrophobicContact CG2-CB 4.11Å
1109F88Confident88.2Confident12 Ų1246 Ų465%0.05322%0.216CC..THydrogen-bonded Turntrans-103.5-28.1-169.2-58.1-66.9000114.6R946 I950 W1006 R1012 P1014 G1106R946-F1109 HydrophobicContact CB-CD1 3.98Å; R946-F1109 HydrophobicContact CG-CD1 4.49Å; I950-F1109 HydrophobicContact CD1-CD2 3.77Å; I950-F1109 HydrophobicContact CD1-CE2 4.08Å; I950-F1109 HydrophobicContact CG1-CB 3.96Å; I950-F1109 HydrophobicContact CG1-CD2 3.59Å; I950-F1109 HydrophobicContact CG1-CE2 4.32Å; I950-F1109 HydrophobicContact CG1-CG 3.9Å; W1006-F1109 PolarHBondContact N-O 3.5Å; R1012-F1109 HydrophobicContact CB-CZ 4.19Å; R1012-F1109 HydrophobicContact CG-CZ 4.08Å; R1012-F1109 WeakPolarHBondContact O-CE1 3.42Å; P1014-F1109 HydrophobicContact CG-CD1 4.25Å; P1014-F1109 HydrophobicContact CG-CE1 4Å; P1014-F1109 HydrophobicContact CG-CE2 4.39Å; P1014-F1109 HydrophobicContact CG-CZ 4.07Å; G1106-F1109 PolarHBondContact O-N 3.31Å
1110R90.2Very high88.2Confident1 Ų148.6 Ų48.60%0.00423%0.231CC..BIsolated β-bridgetrans-117.1161.3-179.2-59.2-175.9-60.9-178.4-4.3109.5A947 I950 T951 C954 F1103 K1105 G1106 K1107A947-R1110 HydrophobicContact CB-CG 4.23Å; I950-R1110 HydrophobicContact CG2-CG 4.38Å; T951-R1110 VanDerWaalsContact OG1-CD 3.25Å; T951-R1110 WeakPolarHBondContact OG1-CD 3.31Å; C954-R1110 PolarHBondContact SG-NH2 3.45Å; F1103-R1110 PolarHBondContact O-NH2 3.46Å; K1105-R1110 PolarHBondContact O-NE 2.91Å; K1105-R1110 PolarHBondContact O-NH2 3.23Å; G1106-R1110 CarbonylContact C-O 3.54Å; G1106-R1110 CarbonylContact O-C 3.55Å; G1106-R1110 WeakPolarHBondContact O-CA 3.26Å; G1106-R1110 WeakPolarHBondContact O-CB 3.24Å; G1106-R1110 PolarHBondContact O-N 3.39Å; K1107-R1110 PolarHBondContact N-O 3.05Å
1111Q90.1Very high88.4Confident32 Ų3253.1 Ų53.115%0.1526%0.255CS..  trans-67.6154.3167.7-61.7-17117.800110.8P1004 A1005 W1006 G1106 K1115P1004-Q1111 HydrophobicContact CB-CG 4.49Å; P1004-Q1111 HydrophobicContact CG-CB 3.99Å; P1004-Q1111 HydrophobicContact CG-CG 3.93Å; P1004-Q1111 PolarHBondContact O-N 3.21Å; A1005-Q1111 VanDerWaalsContact O-CG 3.3Å; A1005-Q1111 WeakPolarHBondContact O-CG 3.08Å; A1005-Q1111 PolarHBondContact O-NE2 2.71Å; W1006-Q1111 HydrophobicContact CE3-CG 4.43Å; G1106-Q1111 VanDerWaalsContact CA-O 3.27Å; G1106-Q1111 WeakPolarHBondContact CA-O 3.25Å; Q1111-K1115 HydrophobicContact CB-CB 4.4Å; Q1111-K1115 HydrophobicContact CB-CD 4.24Å
1112P89Confident88.5Confident17 Ų1749.6 Ų49.611%0.1124%0.239CC..  trans-52.1142.7173-27.334.8000111.6Y1114 K1115P1112-Y1114 HydrophobicContact CB-CD1 3.52Å; P1112-Y1114 HydrophobicContact CB-CE1 3.17Å; P1112-Y1114 HydrophobicContact CB-CE2 4.32Å; P1112-Y1114 HydrophobicContact CB-CG 4.24Å; P1112-Y1114 HydrophobicContact CG-CE1 3.8Å; P1112-Y1114 PolarHBondContact O-N 2.87Å; P1112-Y1114 VanDerWaalsContact O-N 3.1Å; P1112-K1115 WeakPolarHBondContact O-CB 3.29Å; P1112-K1115 PolarHBondContact O-N 2.81Å
1113S85.9Confident88.7Confident37 Ų3749.7 Ų49.726%0.25924%0.24SC..G310 helixtrans-54.1-32.4-177.748.60000113.1K1115 N1116 V1120S1113-K1115 PolarHBondContact O-N 3.21Å; S1113-N1116 WeakPolarHBondContact O-CB 3.41Å; S1113-N1116 PolarHBondContact O-N 2.67Å; S1113-V1120 WeakPolarHBondContact O-CG2 3.23Å
1114Y86.2Confident88.9Confident159 Ų15952.2 Ų52.262%0.62426%0.262SS*.G310 helixtrans-63.7-21.217866.6-105.6000114.4P1112 N1116P1112-Y1114 HydrophobicContact CB-CD1 3.52Å; P1112-Y1114 HydrophobicContact CB-CE1 3.17Å; P1112-Y1114 HydrophobicContact CB-CE2 4.32Å; P1112-Y1114 HydrophobicContact CB-CG 4.24Å; P1112-Y1114 HydrophobicContact CG-CE1 3.8Å; P1112-Y1114 PolarHBondContact O-N 2.87Å; P1112-Y1114 VanDerWaalsContact O-N 3.1Å; Y1114-N1116 VanDerWaalsContact C-N 3.31Å
1115K88.3Confident89.4Confident108 Ų10855.8 Ų55.847%0.4729%0.287SS..G310 helixtrans-77.6-19.4174.5-71.8-162172.3-172.50112.8Q1111 P1112 S1113 W1117Q1111-K1115 HydrophobicContact CB-CB 4.4Å; Q1111-K1115 HydrophobicContact CB-CD 4.24Å; P1112-K1115 WeakPolarHBondContact O-CB 3.29Å; P1112-K1115 PolarHBondContact O-N 2.81Å; S1113-K1115 PolarHBondContact O-N 3.21Å; K1115-W1117 VanDerWaalsContact C-N 3.3Å; K1115-W1117 PolarHBondContact O-N 2.86Å; K1115-W1117 VanDerWaalsContact O-N 3.15Å
1116N91.3Very high90Very high7 Ų753.8 Ų53.84%0.03728%0.279CS..  trans-86.578.4171.5-177.91000108.9T999 N1003 S1113 Y1114 P1118 F1119 V1120T999-N1116 PolarHBondContact O-ND2 3.37Å; N1003-N1116 PolarHBondContact N-ND2 2.94Å; N1003-N1116 WeakPolarHBondContact OD1-CB 3.12Å; N1003-N1116 PolarHBondContact OD1-ND2 3.33Å; S1113-N1116 WeakPolarHBondContact O-CB 3.41Å; S1113-N1116 PolarHBondContact O-N 2.67Å; Y1114-N1116 VanDerWaalsContact C-N 3.31Å; N1116-P1118 VanDerWaalsContact C-CD 3.47Å; N1116-P1118 VanDerWaalsContact C-N 3.31Å; N1116-P1118 VanDerWaalsContact OD1-CD 3.31Å; N1116-P1118 WeakPolarHBondContact OD1-CD 3.44Å; N1116-F1119 HydrophobicContact CB-CB 4.21Å; N1116-F1119 WeakPolarHBondContact ND2-CB 3.25Å; N1116-F1119 PolarHBondContact O-N 3.48Å; N1116-F1119 PolarHBondContact OD1-N 3.01Å; N1116-V1120 WeakPolarHBondContact O-CG2 3.42Å; N1116-V1120 PolarHBondContact O-N 3.03Å; N1116-V1120 VanDerWaalsContact O-N 3.09Å
1117W91.3Very high90.8Very high176 Ų17657 Ų5767%0.66729%0.288SS*.Hα-helixtrans-52.1-42179.6178.2-85.1000113.4K1115 F1119 V1120 L1121K1115-W1117 VanDerWaalsContact C-N 3.3Å; K1115-W1117 PolarHBondContact O-N 2.86Å; K1115-W1117 VanDerWaalsContact O-N 3.15Å; W1117-F1119 VanDerWaalsContact C-N 3.3Å; W1117-F1119 PolarHBondContact O-N 2.72Å; W1117-V1120 PolarHBondContact O-N 2.91Å; W1117-L1121 VanDerWaalsContact O-CB 3.27Å; W1117-L1121 WeakPolarHBondContact O-CB 3.12Å; W1117-L1121 PolarHBondContact O-N 3.09Å
1118P93.1Very high91.5Very high60 Ų6057 Ų5739%0.3929%0.288SS..Hα-helixtrans-54.7-41.5174.7-2834.2000114.3T999 L1002 N1116 S1122T999-P1118 HydrophobicContact CG2-CB 4.3Å; L1002-P1118 HydrophobicContact CD1-CB 4.15Å; L1002-P1118 HydrophobicContact CD1-CG 4.37Å; N1116-P1118 VanDerWaalsContact C-CD 3.47Å; N1116-P1118 VanDerWaalsContact C-N 3.31Å; N1116-P1118 VanDerWaalsContact OD1-CD 3.31Å; N1116-P1118 WeakPolarHBondContact OD1-CD 3.44Å; P1118-S1122 WeakPolarHBondContact O-CB 3.42Å; P1118-S1122 PolarHBondContact O-N 2.89Å; P1118-S1122 VanDerWaalsContact O-N 3.09Å; P1118-S1122 PolarHBondContact O-OG 3.36Å; P1118-S1122 VanDerWaalsContact O-OG 3.05Å
1119F93.5Very high92Very high5 Ų559 Ų592%0.02229%0.294CS..Hα-helixtrans-71.6-41.1177.9172-104.3000112.8I996 M1000 S1104 N1116 W1117 S1122 A1123I996-F1119 HydrophobicContact CD1-CE2 4.3Å; I996-F1119 HydrophobicContact CG2-CE2 4.23Å; M1000-F1119 HydrophobicContact CB-CD2 3.86Å; M1000-F1119 HydrophobicContact CB-CE2 3.95Å; M1000-F1119 HydrophobicContact CG-CE2 4.38Å; S1104-F1119 VanDerWaalsContact OG-CZ 3.27Å; S1104-F1119 WeakPolarHBondContact OG-CZ 3.31Å; N1116-F1119 HydrophobicContact CB-CB 4.21Å; N1116-F1119 WeakPolarHBondContact ND2-CB 3.25Å; N1116-F1119 PolarHBondContact O-N 3.48Å; N1116-F1119 PolarHBondContact OD1-N 3.01Å; W1117-F1119 VanDerWaalsContact C-N 3.3Å; W1117-F1119 PolarHBondContact O-N 2.72Å; F1119-S1122 WeakPolarHBondContact CA-OG 3.48Å; F1119-S1122 PolarHBondContact O-OG 3.42Å; F1119-A1123 VanDerWaalsContact O-CB 3.26Å; F1119-A1123 WeakPolarHBondContact O-CB 3.24Å; F1119-A1123 PolarHBondContact O-N 3.13Å
1120V93.6Very high92.2Very high55 Ų5558.5 Ų58.533%0.33329%0.292SS..Hα-helixtrans-65-45.1177.9178.40000110.5S1113 N1116 W1117 A1124S1113-V1120 WeakPolarHBondContact O-CG2 3.23Å; N1116-V1120 WeakPolarHBondContact O-CG2 3.42Å; N1116-V1120 PolarHBondContact O-N 3.03Å; N1116-V1120 VanDerWaalsContact O-N 3.09Å; W1117-V1120 PolarHBondContact O-N 2.91Å; V1120-A1124 WeakPolarHBondContact O-CB 3.32Å; V1120-A1124 PolarHBondContact O-N 3.46Å
1121L94.9Very high92.4Very high96 Ų9660.4 Ų60.450%0.50330%0.302SS..Hα-helixtrans-63.5-44.9180-178.464.5000111.2W1117 S1125W1117-L1121 VanDerWaalsContact O-CB 3.27Å; W1117-L1121 WeakPolarHBondContact O-CB 3.12Å; W1117-L1121 PolarHBondContact O-N 3.09Å; L1121-S1125 WeakPolarHBondContact O-CB 3.01Å; L1121-S1125 PolarHBondContact O-N 3.31Å
1122S94.7Very high92.6Very high15 Ų1563 Ų6311%0.10531%0.313CS..Hα-helixtrans-64.7-47.9177.860.50000111.9T999 P1118 F1119 A1124 S1125 L1126T999-S1122 PolarHBondContact OG1-OG 3.14Å; T999-S1122 VanDerWaalsContact OG1-OG 3.1Å; P1118-S1122 WeakPolarHBondContact O-CB 3.42Å; P1118-S1122 PolarHBondContact O-N 2.89Å; P1118-S1122 VanDerWaalsContact O-N 3.09Å; P1118-S1122 PolarHBondContact O-OG 3.36Å; P1118-S1122 VanDerWaalsContact O-OG 3.05Å; F1119-S1122 WeakPolarHBondContact CA-OG 3.48Å; F1119-S1122 PolarHBondContact O-OG 3.42Å; S1122-A1124 PolarHBondContact O-N 3.45Å; S1122-S1125 PolarHBondContact O-N 3.25Å; S1122-L1126 WeakPolarHBondContact O-CB 3.27Å; S1122-L1126 WeakPolarHBondContact O-CG 3.4Å; S1122-L1126 PolarHBondContact O-N 3.17Å
1123A93.9Very high92.6Very high11 Ų1162.2 Ų62.29%0.09131%0.308CS..Hα-helixtrans-62.6-43.8178.500000112.2I996 F1119 L1126 Y1127I996-A1123 HydrophobicContact CD1-CB 4.03Å; F1119-A1123 VanDerWaalsContact O-CB 3.26Å; F1119-A1123 WeakPolarHBondContact O-CB 3.24Å; F1119-A1123 PolarHBondContact O-N 3.13Å; A1123-L1126 PolarHBondContact O-N 3.37Å; A1123-Y1127 VanDerWaalsContact O-CB 3.29Å; A1123-Y1127 WeakPolarHBondContact O-CB 3.49Å; A1123-Y1127 PolarHBondContact O-N 3.01Å
1124A94.6Very high92.8Very high57 Ų5760.4 Ų60.447%0.47130%0.296SS..Hα-helixtrans-66-41.917800000112V1120 S1122 Y1127 F1128V1120-A1124 WeakPolarHBondContact O-CB 3.32Å; V1120-A1124 PolarHBondContact O-N 3.46Å; S1122-A1124 PolarHBondContact O-N 3.45Å; A1124-Y1127 PolarHBondContact O-N 2.85Å; A1124-F1128 WeakPolarHBondContact O-CB 3.38Å; A1124-F1128 PolarHBondContact O-N 2.81Å
1125S95Very high93Very high75 Ų7556.2 Ų56.252%0.52428%0.281SS..Hα-helixtrans-62.5-43.8176.6-173.30000111.7L1121 S1122 F1129L1121-S1125 WeakPolarHBondContact O-CB 3.01Å; L1121-S1125 PolarHBondContact O-N 3.31Å; S1122-S1125 PolarHBondContact O-N 3.25Å; S1125-F1129 WeakPolarHBondContact O-CB 3.31Å; S1125-F1129 PolarHBondContact O-N 3.47Å
1126L95.1Very high93Very high21 Ų2158 Ų5811%0.1129%0.286CS..Hα-helixtrans-68.1-41.1178-72.1168.8000111.8I996 L1097 S1122 A1123 F1129 L1130I996-L1126 HydrophobicContact CD1-CD1 4.05Å; I996-L1126 HydrophobicContact CG1-CD1 3.91Å; L1097-L1126 HydrophobicContact CD1-CB 4.1Å; L1097-L1126 HydrophobicContact CD2-CB 4.1Å; L1097-L1126 HydrophobicContact CD2-CD1 4.15Å; S1122-L1126 WeakPolarHBondContact O-CB 3.27Å; S1122-L1126 WeakPolarHBondContact O-CG 3.4Å; S1122-L1126 PolarHBondContact O-N 3.17Å; A1123-L1126 PolarHBondContact O-N 3.37Å; L1126-F1129 PolarHBondContact O-N 3.28Å; L1126-L1130 WeakPolarHBondContact O-CB 3.46Å; L1126-L1130 WeakPolarHBondContact O-CG 3.35Å; L1126-L1130 PolarHBondContact O-N 3.32Å
1127Y94.3Very high92.5Very high77 Ų7760 Ų6030%0.30230%0.298SS..Hα-helixtrans-63.5-43.4176.7-161.8-91.8000111.5F1094 L1097 A1123 A1124 L1131F1094-Y1127 AromaticContact CD1-CD2 3.75Å; F1094-Y1127 HydrophobicContact CD1-CD2 3.75Å; F1094-Y1127 AromaticContact CD1-CE2 3.46Å; F1094-Y1127 HydrophobicContact CD1-CE2 3.46Å; F1094-Y1127 VanDerWaalsContact CD1-CE2 3.46Å; F1094-Y1127 HydrophobicContact CE1-CD1 4.46Å; F1094-Y1127 AromaticContact CE1-CD2 3.75Å; F1094-Y1127 HydrophobicContact CE1-CD2 3.75Å; F1094-Y1127 HydrophobicContact CE1-CE1 4.37Å; F1094-Y1127 AromaticContact CE1-CE2 3.62Å; F1094-Y1127 HydrophobicContact CE1-CE2 3.62Å; F1094-Y1127 HydrophobicContact CE1-CG 4.17Å; F1094-Y1127 AromaticContact CE1-CZ 3.93Å; L1097-Y1127 HydrophobicContact CD1-CD2 4.05Å; A1123-Y1127 VanDerWaalsContact O-CB 3.29Å; A1123-Y1127 WeakPolarHBondContact O-CB 3.49Å; A1123-Y1127 PolarHBondContact O-N 3.01Å; A1124-Y1127 PolarHBondContact O-N 2.85Å; Y1127-L1131 HydrophobicContact CD1-CD1 3.63Å; Y1127-L1131 HydrophobicContact CD1-CG 4.17Å; Y1127-L1131 HydrophobicContact CE1-CD1 3.49Å; Y1127-L1131 VanDerWaalsContact CE1-CD1 3.49Å; Y1127-L1131 HydrophobicContact CE1-CG 4.08Å; Y1127-L1131 WeakPolarHBondContact O-CB 3.29Å; Y1127-L1131 WeakPolarHBondContact O-CG 3.32Å; Y1127-L1131 PolarHBondContact O-N 3.41Å
1128F94.9Very high92.2Very high146 Ų14653.4 Ų53.464%0.6428%0.278SS*.Hα-helixtrans-62.7-45.8174.9177.6-98000111.7A1124 L1131 F1132A1124-F1128 WeakPolarHBondContact O-CB 3.38Å; A1124-F1128 PolarHBondContact O-N 2.81Å; F1128-L1131 PolarHBondContact O-N 3.09Å; F1128-F1132 WeakPolarHBondContact O-CB 3.44Å; F1128-F1132 PolarHBondContact O-N 3.35Å
1129F94.2Very high91.7Very high73 Ų7357.2 Ų57.232%0.3229%0.288SS..Hα-helixtrans-60.9-46.1178.2-179.9-98.8000111.9F987 S1125 L1126 L1131 F1132 I1133F987-F1129 HydrophobicContact CE2-CD1 4.07Å; F987-F1129 AromaticContact CE2-CE1 3.56Å; F987-F1129 HydrophobicContact CE2-CE1 3.56Å; F987-F1129 AromaticContact CZ-CD1 3.77Å; F987-F1129 HydrophobicContact CZ-CD1 3.77Å; F987-F1129 AromaticContact CZ-CE1 3.57Å; F987-F1129 HydrophobicContact CZ-CE1 3.57Å; S1125-F1129 WeakPolarHBondContact O-CB 3.31Å; S1125-F1129 PolarHBondContact O-N 3.47Å; L1126-F1129 PolarHBondContact O-N 3.28Å; F1129-L1131 PolarHBondContact O-N 3.34Å; F1129-F1132 WeakPolarHBondContact O-CB 3.38Å; F1129-F1132 PolarHBondContact O-N 2.85Å; F1129-I1133 HydrophobicContact CE1-CD1 4.39Å; F1129-I1133 HydrophobicContact CE1-CG2 4.05Å; F1129-I1133 HydrophobicContact CE2-CG2 4.15Å; F1129-I1133 HydrophobicContact CZ-CG2 3.85Å; F1129-I1133 WeakPolarHBondContact O-CG1 3.32Å; F1129-I1133 PolarHBondContact O-N 3.08Å
1130L93.1Very high91.2Very high1 Ų161.2 Ų61.21%0.00532%0.317CS..Hα-helixtrans-62.1-40.8176.6-75.3176.1000112.7F987 I992 F1094 L1097 L1126 F1132 I1133 M1134F987-L1130 HydrophobicContact CE1-CD2 3.79Å; F987-L1130 HydrophobicContact CZ-CD2 4.13Å; I992-L1130 HydrophobicContact CD1-CD1 4.36Å; F1094-L1130 HydrophobicContact CD1-CD1 4.28Å; F1094-L1130 HydrophobicContact CE1-CB 3.79Å; F1094-L1130 HydrophobicContact CE1-CD1 4.27Å; F1094-L1130 HydrophobicContact CE2-CB 3.99Å; F1094-L1130 HydrophobicContact CZ-CB 3.47Å; F1094-L1130 VanDerWaalsContact CZ-CB 3.47Å; F1094-L1130 HydrophobicContact CZ-CD1 4.5Å; L1097-L1130 HydrophobicContact CD1-CD1 3.65Å; L1126-L1130 WeakPolarHBondContact O-CB 3.46Å; L1126-L1130 WeakPolarHBondContact O-CG 3.35Å; L1126-L1130 PolarHBondContact O-N 3.32Å; L1130-F1132 VanDerWaalsContact C-N 3.34Å; L1130-I1133 HydrophobicContact CD2-CD1 3.96Å; L1130-I1133 VanDerWaalsContact O-CG1 3.23Å; L1130-I1133 WeakPolarHBondContact O-CG1 3.5Å; L1130-M1134 VanDerWaalsContact O-CB 3.29Å; L1130-M1134 WeakPolarHBondContact O-CB 3.18Å; L1130-M1134 PolarHBondContact O-N 3.36Å; L1130-M1134 VanDerWaalsContact O-N 3.08Å
1131L93.3Very high90.9Very high41 Ų4160.8 Ų60.822%0.21531%0.312CS..Hα-helixtrans-65.8-39174.3-75.7176.9000111.8F1094 Y1127 F1128 F1129 M1134 F1135 L1159F1094-L1131 HydrophobicContact CE1-CD2 4.2Å; F1094-L1131 HydrophobicContact CE1-CG 4.12Å; F1094-L1131 HydrophobicContact CZ-CD2 3.73Å; F1094-L1131 HydrophobicContact CZ-CG 3.88Å; Y1127-L1131 HydrophobicContact CD1-CD1 3.63Å; Y1127-L1131 HydrophobicContact CD1-CG 4.17Å; Y1127-L1131 HydrophobicContact CE1-CD1 3.49Å; Y1127-L1131 VanDerWaalsContact CE1-CD1 3.49Å; Y1127-L1131 HydrophobicContact CE1-CG 4.08Å; Y1127-L1131 WeakPolarHBondContact O-CB 3.29Å; Y1127-L1131 WeakPolarHBondContact O-CG 3.32Å; Y1127-L1131 PolarHBondContact O-N 3.41Å; F1128-L1131 PolarHBondContact O-N 3.09Å; F1129-L1131 PolarHBondContact O-N 3.34Å; L1131-M1134 HydrophobicContact CD2-CE 3.85Å; L1131-M1134 PolarHBondContact O-N 3.23Å; L1131-F1135 HydrophobicContact CD2-CE2 4.22Å; L1131-F1135 WeakPolarHBondContact O-CD2 3.23Å; L1131-F1135 PolarHBondContact O-N 3.21Å; L1131-L1159 HydrophobicContact CD2-CD1 3.78Å
1132F93.4Very high90.4Very high85 Ų8557 Ų5737%0.37329%0.293SS..Hα-helixtrans-61.7-52.1178175.2-99.7000111.1F1128 F1129 L1130 M1134 F1135 Y1136 V1138F1128-F1132 WeakPolarHBondContact O-CB 3.44Å; F1128-F1132 PolarHBondContact O-N 3.35Å; F1129-F1132 WeakPolarHBondContact O-CB 3.38Å; F1129-F1132 PolarHBondContact O-N 2.85Å; L1130-F1132 VanDerWaalsContact C-N 3.34Å; F1132-M1134 VanDerWaalsContact C-N 3.28Å; F1132-M1134 PolarHBondContact O-N 3.14Å; F1132-F1135 PolarHBondContact O-N 3.24Å; F1132-Y1136 HydrophobicContact CE1-CD1 4.43Å; F1132-Y1136 AromaticContact CE2-CD1 3.94Å; F1132-Y1136 HydrophobicContact CE2-CD1 3.94Å; F1132-Y1136 HydrophobicContact CE2-CG 4.29Å; F1132-Y1136 AromaticContact CZ-CD1 3.66Å; F1132-Y1136 HydrophobicContact CZ-CD1 3.66Å; F1132-Y1136 HydrophobicContact CZ-CE1 4.4Å; F1132-Y1136 HydrophobicContact CZ-CG 4.41Å; F1132-Y1136 WeakPolarHBondContact O-CA 3.05Å; F1132-Y1136 WeakPolarHBondContact O-CB 3.43Å; F1132-Y1136 PolarHBondContact O-N 2.96Å; F1132-V1138 HydrophobicContact CE1-CG2 4.21Å; F1132-V1138 HydrophobicContact CZ-CG2 4.38Å
1133I90.9Very high89.9Confident1 Ų163 Ų631%0.00532%0.319CS..Hα-helixtrans-64.3-33.3178.762.6166.6000112.1Y1090 F1129 L1130 I1141 L1145Y1090-I1133 HydrophobicContact CE1-CD1 3.94Å; Y1090-I1133 HydrophobicContact CE1-CG1 3.97Å; Y1090-I1133 PolarHBondContact OH-O 2.85Å; F1129-I1133 HydrophobicContact CE1-CD1 4.39Å; F1129-I1133 HydrophobicContact CE1-CG2 4.05Å; F1129-I1133 HydrophobicContact CE2-CG2 4.15Å; F1129-I1133 HydrophobicContact CZ-CG2 3.85Å; F1129-I1133 WeakPolarHBondContact O-CG1 3.32Å; F1129-I1133 PolarHBondContact O-N 3.08Å; L1130-I1133 HydrophobicContact CD2-CD1 3.96Å; L1130-I1133 VanDerWaalsContact O-CG1 3.23Å; L1130-I1133 WeakPolarHBondContact O-CG1 3.5Å; I1133-I1141 HydrophobicContact CG2-CD1 4.31Å; I1133-I1141 HydrophobicContact CG2-CG2 4.05Å; I1133-L1145 HydrophobicContact CD1-CD1 4.35Å
1134M90Very high89.6Confident0 Ų068.3 Ų68.30%034%0.338CS..Hα-helixtrans-68.4-45.1178.4-173.8-176.871.600111.9Y1090 F1094 L1130 L1131 F1132 R1155 L1159 I1162Y1090-M1134 HydrophobicContact CD1-CB 4.15Å; Y1090-M1134 HydrophobicContact CD1-CG 4.31Å; Y1090-M1134 HydrophobicContact CE1-CB 3.84Å; Y1090-M1134 HydrophobicContact CE1-CG 4.3Å; Y1090-M1134 HydrophobicContact CG-CG 4.46Å; F1094-M1134 HydrophobicContact CE2-SD 4.27Å; L1130-M1134 VanDerWaalsContact O-CB 3.29Å; L1130-M1134 WeakPolarHBondContact O-CB 3.18Å; L1130-M1134 PolarHBondContact O-N 3.36Å; L1130-M1134 VanDerWaalsContact O-N 3.08Å; L1131-M1134 HydrophobicContact CD2-CE 3.85Å; L1131-M1134 PolarHBondContact O-N 3.23Å; F1132-M1134 VanDerWaalsContact C-N 3.28Å; F1132-M1134 PolarHBondContact O-N 3.14Å; M1134-R1155 VanDerWaalsContact O-CD 3.24Å; M1134-R1155 WeakPolarHBondContact O-CD 3.35Å; M1134-R1155 PolarHBondContact O-NH1 2.8Å; M1134-L1159 HydrophobicContact CE-CB 4.02Å; M1134-L1159 HydrophobicContact CE-CD1 4.21Å; M1134-I1162 HydrophobicContact SD-CD1 4.44Å
1135F89.9Confident89.2Confident71 Ų7165.9 Ų65.931%0.31132%0.317SS..Hα-helixtrans-86.9-31-177.1-79.6-66.8000114.2L1131 F1132 F1152 L1159L1131-F1135 HydrophobicContact CD2-CE2 4.22Å; L1131-F1135 WeakPolarHBondContact O-CD2 3.23Å; L1131-F1135 PolarHBondContact O-N 3.21Å; F1132-F1135 PolarHBondContact O-N 3.24Å; F1135-F1152 AromaticContact CD1-CE2 3.91Å; F1135-F1152 HydrophobicContact CD1-CE2 3.91Å; F1135-F1152 HydrophobicContact CE1-CE2 4.24Å; F1135-F1152 HydrophobicContact CE1-CZ 4.49Å; F1135-L1159 HydrophobicContact CE2-CD2 4.02Å; F1135-L1159 HydrophobicContact CZ-CB 4.38Å; F1135-L1159 HydrophobicContact CZ-CD2 3.72Å
1136Y87.6Confident88.8Confident146 Ų14664.4 Ų64.457%0.57330%0.301SS*.SBendtrans-118.190.3-178.6-167.6-104.7000109.5F1132 V1138F1132-Y1136 HydrophobicContact CE1-CD1 4.43Å; F1132-Y1136 AromaticContact CE2-CD1 3.94Å; F1132-Y1136 HydrophobicContact CE2-CD1 3.94Å; F1132-Y1136 HydrophobicContact CE2-CG 4.29Å; F1132-Y1136 AromaticContact CZ-CD1 3.66Å; F1132-Y1136 HydrophobicContact CZ-CD1 3.66Å; F1132-Y1136 HydrophobicContact CZ-CE1 4.4Å; F1132-Y1136 HydrophobicContact CZ-CG 4.41Å; F1132-Y1136 WeakPolarHBondContact O-CA 3.05Å; F1132-Y1136 WeakPolarHBondContact O-CB 3.43Å; F1132-Y1136 PolarHBondContact O-N 2.96Å; Y1136-V1138 HydrophobicContact CD1-CG2 3.54Å; Y1136-V1138 HydrophobicContact CE1-CG2 3.74Å; Y1136-V1138 PolarHBondContact O-N 3.12Å; Y1136-V1138 VanDerWaalsContact O-N 3.15Å
1137P81.3Confident88.4Confident47 Ų4764.1 Ų64.131%0.30530%0.3SS..  trans-71.4110.8-17730.9-29.1000108.6D1142 R1155P1137-D1142 WeakPolarHBondContact CA-OD2 3.5Å; P1137-D1142 WeakPolarHBondContact CB-OD2 3.38Å; P1137-R1155 VanDerWaalsContact CD-NH1 3.34Å
1138V85.3Confident87.9Confident39 Ų3960.6 Ų60.624%0.23629%0.286CS..  trans-97.8116178179.70000107.3F1132 Y1136 S1140 I1141 D1142F1132-V1138 HydrophobicContact CE1-CG2 4.21Å; F1132-V1138 HydrophobicContact CZ-CG2 4.38Å; Y1136-V1138 HydrophobicContact CD1-CG2 3.54Å; Y1136-V1138 HydrophobicContact CE1-CG2 3.74Å; Y1136-V1138 PolarHBondContact O-N 3.12Å; Y1136-V1138 VanDerWaalsContact O-N 3.15Å; V1138-S1140 VanDerWaalsContact C-N 3.26Å; V1138-S1140 PolarHBondContact O-N 3.37Å; V1138-S1140 VanDerWaalsContact O-N 3.08Å; V1138-I1141 HydrophobicContact CB-CB 4.24Å; V1138-I1141 HydrophobicContact CB-CD1 4.02Å; V1138-I1141 HydrophobicContact CB-CG1 4.1Å; V1138-I1141 HydrophobicContact CG1-CD1 4.33Å; V1138-I1141 HydrophobicContact CG1-CG1 4.18Å; V1138-I1141 HydrophobicContact CG2-CD1 4.32Å; V1138-I1141 WeakPolarHBondContact O-CA 3.4Å; V1138-I1141 PolarHBondContact O-N 2.95Å; V1138-D1142 PolarHBondContact O-N 3.21Å
1139K81.3Confident87.3Confident139 Ų13954.3 Ų54.360%0.60426%0.26SS*.Hα-helixtrans-47.2-45.5-175.2-67.3-172.1175.5-1710113.7I1141 D1142 E1143K1139-I1141 VanDerWaalsContact C-N 3.33Å; K1139-I1141 PolarHBondContact O-N 3.07Å; K1139-D1142 PolarHBondContact O-N 3.35Å; K1139-E1143 WeakPolarHBondContact O-CB 3.41Å; K1139-E1143 VanDerWaalsContact O-CG 3.29Å; K1139-E1143 WeakPolarHBondContact O-CG 3.45Å; K1139-E1143 PolarHBondContact O-N 3.45Å
1140S84.3Confident86.9Confident90 Ų9051 Ų5163%0.62925%0.246SC*.Hα-helixtrans-66-30.7179.4-51.40000114.3V1138 Y1144V1138-S1140 VanDerWaalsContact C-N 3.26Å; V1138-S1140 PolarHBondContact O-N 3.37Å; V1138-S1140 VanDerWaalsContact O-N 3.08Å; S1140-Y1144 VanDerWaalsContact O-CB 3.31Å; S1140-Y1144 WeakPolarHBondContact O-CB 3.2Å; S1140-Y1144 PolarHBondContact O-N 3.34Å
1141I86.1Confident86.5Confident45 Ų4552 Ų5223%0.23125%0.253CS..Hα-helixtrans-80.6-41.6177.2-61.5178.4000109.7I1133 V1138 K1139 Y1144 L1145I1133-I1141 HydrophobicContact CG2-CD1 4.31Å; I1133-I1141 HydrophobicContact CG2-CG2 4.05Å; V1138-I1141 HydrophobicContact CB-CB 4.24Å; V1138-I1141 HydrophobicContact CB-CD1 4.02Å; V1138-I1141 HydrophobicContact CB-CG1 4.1Å; V1138-I1141 HydrophobicContact CG1-CD1 4.33Å; V1138-I1141 HydrophobicContact CG1-CG1 4.18Å; V1138-I1141 HydrophobicContact CG2-CD1 4.32Å; V1138-I1141 WeakPolarHBondContact O-CA 3.4Å; V1138-I1141 PolarHBondContact O-N 2.95Å; K1139-I1141 VanDerWaalsContact C-N 3.33Å; K1139-I1141 PolarHBondContact O-N 3.07Å; I1141-Y1144 PolarHBondContact O-N 3.41Å; I1141-L1145 HydrophobicContact CG2-CD1 3.81Å; I1141-L1145 HydrophobicContact CG2-CG 4.37Å; I1141-L1145 WeakPolarHBondContact O-CB 3.47Å; I1141-L1145 PolarHBondContact O-N 2.92Å
1142D86.1Confident86.3Confident17 Ų1756.5 Ų56.59%0.09127%0.271CS..Hα-helixtrans-65.2-41.3179.3-66.7-18.3000111.3P1137 V1138 K1139 E1146 I1147P1137-D1142 WeakPolarHBondContact CA-OD2 3.5Å; P1137-D1142 WeakPolarHBondContact CB-OD2 3.38Å; V1138-D1142 PolarHBondContact O-N 3.21Å; K1139-D1142 PolarHBondContact O-N 3.35Å; D1142-E1146 CarbonylContact O-C 3.58Å; D1142-E1146 WeakPolarHBondContact O-CA 3.39Å; D1142-E1146 PolarHBondContact O-N 3.33Å; D1142-I1147 HydrophobicContact CB-CB 4.42Å; D1142-I1147 PolarHBondContact O-N 2.88Å
1143E84.4Confident86Confident142 Ų14258.6 Ų58.666%0.66428%0.282SS*.Hα-helixtrans-63.8-39.7172.7-75169.7-168.600111.8K1139K1139-E1143 WeakPolarHBondContact O-CB 3.41Å; K1139-E1143 VanDerWaalsContact O-CG 3.29Å; K1139-E1143 WeakPolarHBondContact O-CG 3.45Å; K1139-E1143 PolarHBondContact O-N 3.45Å
1144Y86.6Confident86Confident122 Ų12258.5 Ų58.548%0.47828%0.281SS..Hα-helixtrans-72-38.1-179.9-177.1-96.5000113.3F983 S1140 I1141 E1146F983-Y1144 HydrophobicContact CB-CD1 4.32Å; F983-Y1144 HydrophobicContact CB-CE1 4.05Å; F983-Y1144 WeakPolarHBondContact CB-O 3.32Å; F983-Y1144 HydrophobicContact CD1-CD1 4.5Å; F983-Y1144 AromaticContact CD1-CE1 3.68Å; F983-Y1144 HydrophobicContact CD1-CE1 3.68Å; F983-Y1144 AromaticContact CD1-CE2 3.73Å; F983-Y1144 HydrophobicContact CD1-CE2 3.73Å; F983-Y1144 AromaticContact CD1-CZ 3.23Å; F983-Y1144 WeakPolarHBondContact CD1-OH 3.23Å; F983-Y1144 HydrophobicContact CD2-CE2 4.44Å; F983-Y1144 VanDerWaalsContact CD2-O 3.26Å; F983-Y1144 WeakPolarHBondContact CD2-O 3.39Å; F983-Y1144 HydrophobicContact CE1-CE1 4.34Å; F983-Y1144 AromaticContact CE1-CE2 3.56Å; F983-Y1144 HydrophobicContact CE1-CE2 3.56Å; F983-Y1144 AromaticContact CE1-CZ 3.45Å; F983-Y1144 VanDerWaalsContact CE1-CZ 3.45Å; F983-Y1144 WeakPolarHBondContact CE1-OH 3.32Å; F983-Y1144 HydrophobicContact CE2-CE2 4.3Å; F983-Y1144 HydrophobicContact CG-CD1 4.37Å; F983-Y1144 AromaticContact CG-CE1 3.95Å; F983-Y1144 HydrophobicContact CG-CE1 3.95Å; F983-Y1144 HydrophobicContact CG-CE2 4.17Å; F983-Y1144 AromaticContact CG-CZ 3.86Å; F983-Y1144 WeakPolarHBondContact CG-O 3.5Å; F983-Y1144 AromaticContact CZ-CE2 3.87Å; F983-Y1144 HydrophobicContact CZ-CE2 3.87Å; S1140-Y1144 VanDerWaalsContact O-CB 3.31Å; S1140-Y1144 WeakPolarHBondContact O-CB 3.2Å; S1140-Y1144 PolarHBondContact O-N 3.34Å; I1141-Y1144 PolarHBondContact O-N 3.41Å; Y1144-E1146 VanDerWaalsContact C-N 3.34Å
1145L86.6Confident86.1Confident6 Ų659.2 Ų59.23%0.03128%0.284CS..THydrogen-bonded Turntrans-91.23.6177.5-67.4177.1000112.8F983 Q984 F987 I1133 I1141 I1147F983-L1145 HydrophobicContact CB-CD2 4.34Å; Q984-L1145 WeakPolarHBondContact CG-O 3.44Å; Q984-L1145 PolarHBondContact NE2-O 3.45Å; F987-L1145 HydrophobicContact CB-CD2 4.1Å; F987-L1145 HydrophobicContact CG-CD2 4.38Å; I1133-L1145 HydrophobicContact CD1-CD1 4.35Å; I1141-L1145 HydrophobicContact CG2-CD1 3.81Å; I1141-L1145 HydrophobicContact CG2-CG 4.37Å; I1141-L1145 WeakPolarHBondContact O-CB 3.47Å; I1141-L1145 PolarHBondContact O-N 2.92Å; L1145-I1147 HydrophobicContact CB-CD1 3.6Å; L1145-I1147 HydrophobicContact CB-CG1 3.68Å; L1145-I1147 HydrophobicContact CD1-CD1 3.79Å; L1145-I1147 HydrophobicContact CG-CD1 4.36Å; L1145-I1147 PolarHBondContact O-N 3.27Å
1146E86.3Confident86.2Confident44 Ų4460.5 Ų60.521%0.20629%0.294CS..THydrogen-bonded Turntrans53.437.1-178-61.8169.2161.100112.7G981 I1080 Q1081 D1142 Y1144G981-E1146 WeakPolarHBondContact CA-OE2 3.45Å; I1080-E1146 HydrophobicContact CG2-CB 4.47Å; I1080-E1146 WeakPolarHBondContact CG2-OE2 3.26Å; Q1081-E1146 HydrophobicContact CG-CB 4.15Å; D1142-E1146 CarbonylContact O-C 3.58Å; D1142-E1146 WeakPolarHBondContact O-CA 3.39Å; D1142-E1146 PolarHBondContact O-N 3.33Å; Y1144-E1146 VanDerWaalsContact C-N 3.34Å
1147I86.3Confident86.4Confident14 Ų1457.8 Ų57.87%0.07228%0.282CS..  trans-88.3130.2-178.3-64.5174.7000109.5T1086 F1089 Y1090 D1142 L1145T1086-I1147 HydrophobicContact CG2-CG2 3.64Å; F1089-I1147 HydrophobicContact CD1-CD1 3.98Å; F1089-I1147 HydrophobicContact CD1-CG1 4.39Å; F1089-I1147 HydrophobicContact CE1-CD1 3.71Å; F1089-I1147 HydrophobicContact CE1-CG1 4.48Å; Y1090-I1147 HydrophobicContact CE2-CG2 4.14Å; D1142-I1147 HydrophobicContact CB-CB 4.42Å; D1142-I1147 PolarHBondContact O-N 2.88Å; L1145-I1147 HydrophobicContact CB-CD1 3.6Å; L1145-I1147 HydrophobicContact CB-CG1 3.68Å; L1145-I1147 HydrophobicContact CD1-CD1 3.79Å; L1145-I1147 HydrophobicContact CG-CD1 4.36Å; L1145-I1147 PolarHBondContact O-N 3.27Å
1148V85.3Confident87Confident3 Ų355.5 Ų55.52%0.01827%0.268CS..  trans-88138.3176.2176.60000110.4W1054 Q1081 F1083 T1086 V1150W1054-V1148 VanDerWaalsContact CD1-CG1 3.44Å; W1054-V1148 HydrophobicContact CD2-CG2 4.48Å; W1054-V1148 HydrophobicContact CG-CG2 4.44Å; Q1081-V1148 HydrophobicContact CB-CG2 3.88Å; F1083-V1148 HydrophobicContact CD1-CB 4.43Å; F1083-V1148 HydrophobicContact CD1-CG1 3.58Å; F1083-V1148 HydrophobicContact CE1-CG1 3.38Å; F1083-V1148 HydrophobicContact CZ-CG1 4.18Å; T1086-V1148 WeakPolarHBondContact CG2-O 3.46Å; T1086-V1148 PolarHBondContact OG1-N 3.01Å; V1148-V1150 PolarHBondContact O-N 3.41Å; V1148-V1150 VanDerWaalsContact O-N 3.16Å
1149C82.1Confident87.4Confident15 Ų1555.9 Ų55.910%0.10127%0.268CS..  trans-75.8111.9-177.6-155.60000112.4C1061 R1155C1061-C1149 HydrophobicContact CB-CB 3.51Å; C1061-C1149 WeakPolarHBondContact CB-SG 3.39Å; C1061-C1149 WeakPolarHBondContact SG-CB 3.24Å; C1061-C1149 CovalentContact SG-SG 2Å; C1061-C1149 PolarHBondContact SG-SG 3.39Å; C1149-R1155 PolarHBondContact SG-NH2 3.26Å
1150V84.4Confident88Confident2 Ų254.3 Ų54.31%0.01227%0.266CS..  trans-93.4154.2177.6-70.10000112.6W1050 F1083 T1086 V1148 R1155W1050-V1150 HydrophobicContact CH2-CG1 4.29Å; F1083-V1150 HydrophobicContact CD1-CG1 3.95Å; T1086-V1150 HydrophobicContact CG2-CG1 4.24Å; V1148-V1150 PolarHBondContact O-N 3.41Å; V1148-V1150 VanDerWaalsContact O-N 3.16Å; V1150-R1155 HydrophobicContact CG2-CG 3.73Å; V1150-R1155 PolarHBondContact O-NE 3.16Å; V1150-R1155 PolarHBondContact O-NH2 3.16Å
1151P86.3Confident88.5Confident23 Ų2350.6 Ų50.615%0.14924%0.239CC..  trans-58.1149.1178.5-23.832.9000113.6W1050 V1060 E1153 W1154 R1155W1050-P1151 HydrophobicContact CD2-CG 3.64Å; W1050-P1151 HydrophobicContact CE3-CG 4.08Å; W1050-P1151 HydrophobicContact CG-CG 3.82Å; W1050-P1151 HydrophobicContact CZ2-CG 4.34Å; V1060-P1151 HydrophobicContact CG1-CG 4.15Å; P1151-E1153 VanDerWaalsContact C-N 3.27Å; P1151-E1153 PolarHBondContact O-N 3.07Å; P1151-W1154 WeakPolarHBondContact O-CB 3.31Å; P1151-W1154 PolarHBondContact O-N 2.92Å; P1151-R1155 PolarHBondContact O-N 3.32Å
1152F87.2Confident88.9Confident136 Ų13648.5 Ų48.560%0.59623%0.228SC*.Hα-helixtrans-57.6-38.9179.3-175-97.8000112.9F1135 W1154 R1155 L1156F1135-F1152 AromaticContact CD1-CE2 3.91Å; F1135-F1152 HydrophobicContact CD1-CE2 3.91Å; F1135-F1152 HydrophobicContact CE1-CE2 4.24Å; F1135-F1152 HydrophobicContact CE1-CZ 4.49Å; F1152-W1154 VanDerWaalsContact C-N 3.29Å; F1152-W1154 PolarHBondContact O-N 2.63Å; F1152-R1155 WeakPolarHBondContact O-CB 3.49Å; F1152-R1155 PolarHBondContact O-N 3.24Å; F1152-L1156 PolarHBondContact O-N 2.8Å; F1152-L1156 VanDerWaalsContact O-N 3.12Å
1153E88.8Confident89.3Confident128 Ų12850.1 Ų50.160%0.59824%0.244SC*.Hα-helixtrans-60-38.7175.7-65.5-169.6179.600112.7P1151 L1156 R1157P1151-E1153 VanDerWaalsContact C-N 3.27Å; P1151-E1153 PolarHBondContact O-N 3.07Å; E1153-L1156 PolarHBondContact O-N 2.9Å; E1153-R1157 WeakPolarHBondContact O-CG 3.38Å; E1153-R1157 PolarHBondContact O-N 3.38Å; E1153-R1157 IonicContact OE2-NH2 3.88Å
1154W90.6Very high89.9Confident0 Ų046.5 Ų46.50%023%0.231CC..Hα-helixtrans-68.6-40178-176.8-119.2000111.5W1044 V1045 Q1048 W1050 S1087 P1151 F1152 L1156 R1157 L1158W1044-W1154 HydrophobicContact CB-CH2 4.14Å; W1044-W1154 HydrophobicContact CD2-CH2 4.35Å; W1044-W1154 HydrophobicContact CD2-CZ3 4.3Å; W1044-W1154 HydrophobicContact CG-CH2 4.15Å; W1044-W1154 HydrophobicContact CG-CZ3 4.3Å; V1045-W1154 HydrophobicContact CB-CH2 4.15Å; V1045-W1154 HydrophobicContact CB-CZ2 3.61Å; V1045-W1154 HydrophobicContact CG2-CZ2 3.99Å; Q1048-W1154 HydrophobicContact CG-CD2 4.48Å; Q1048-W1154 HydrophobicContact CG-CE3 3.83Å; Q1048-W1154 HydrophobicContact CG-CZ3 3.84Å; W1050-W1154 HydrophobicContact CH2-CB 4.39Å; W1050-W1154 AromaticContact CH2-CD1 3.93Å; W1050-W1154 HydrophobicContact CH2-CD2 4.39Å; W1050-W1154 AromaticContact CH2-CG 3.99Å; W1050-W1154 HydrophobicContact CH2-CG 3.99Å; W1050-W1154 HydrophobicContact CZ2-CB 3.58Å; W1050-W1154 AromaticContact CZ2-CD1 3.85Å; W1050-W1154 AromaticContact CZ2-CD2 3.76Å; W1050-W1154 HydrophobicContact CZ2-CD2 3.76Å; W1050-W1154 HydrophobicContact CZ2-CE3 4.24Å; W1050-W1154 AromaticContact CZ2-CG 3.43Å; W1050-W1154 HydrophobicContact CZ2-CG 3.43Å; W1050-W1154 VanDerWaalsContact CZ2-CG 3.43Å; S1087-W1154 PolarHBondContact OG-NE1 3.01Å; P1151-W1154 WeakPolarHBondContact O-CB 3.31Å; P1151-W1154 PolarHBondContact O-N 2.92Å; F1152-W1154 VanDerWaalsContact C-N 3.29Å; F1152-W1154 PolarHBondContact O-N 2.63Å; W1154-L1156 VanDerWaalsContact C-N 3.3Å; W1154-L1156 PolarHBondContact O-N 2.9Å; W1154-R1157 HydrophobicContact CE3-CB 4.22Å; W1154-R1157 HydrophobicContact CZ3-CB 4.48Å; W1154-R1157 CarbonylContact O-C 3.52Å; W1154-R1157 WeakPolarHBondContact O-CA 3.04Å; W1154-R1157 WeakPolarHBondContact O-CB 3.42Å; W1154-R1157 PolarHBondContact O-N 2.88Å; W1154-L1158 HydrophobicContact CD2-CG 4.44Å; W1154-L1158 HydrophobicContact CG-CG 4.47Å; W1154-L1158 HydrophobicContact CZ2-CD2 3.87Å; W1154-L1158 HydrophobicContact CZ2-CG 4.43Å; W1154-L1158 WeakPolarHBondContact O-CG 3.46Å; W1154-L1158 PolarHBondContact O-N 3.42Å
1155R90.9Very high90.3Very high15 Ų1540.7 Ų40.76%0.05721%0.208CC..Hα-helixtrans-60.1-39.8175.9-60.2168.1-169.4-14710.9112.1C1061 M1134 P1137 C1149 V1150 P1151 F1152 R1157 L1158 L1159C1061-R1155 PolarHBondContact SG-NH2 3.31Å; M1134-R1155 VanDerWaalsContact O-CD 3.24Å; M1134-R1155 WeakPolarHBondContact O-CD 3.35Å; M1134-R1155 PolarHBondContact O-NH1 2.8Å; P1137-R1155 VanDerWaalsContact CD-NH1 3.34Å; C1149-R1155 PolarHBondContact SG-NH2 3.26Å; V1150-R1155 HydrophobicContact CG2-CG 3.73Å; V1150-R1155 PolarHBondContact O-NE 3.16Å; V1150-R1155 PolarHBondContact O-NH2 3.16Å; P1151-R1155 PolarHBondContact O-N 3.32Å; F1152-R1155 WeakPolarHBondContact O-CB 3.49Å; F1152-R1155 PolarHBondContact O-N 3.24Å; R1155-R1157 VanDerWaalsContact C-N 3.34Å; R1155-L1158 PolarHBondContact O-N 3.02Å; R1155-L1159 PolarHBondContact O-N 3.18Å
1156L91.8Very high90.6Very high98 Ų9841.7 Ų41.751%0.51322%0.217SC..Hα-helixtrans-64.6-39.5174.8-172.467000111.6F1152 E1153 W1154 L1159 L1160F1152-L1156 PolarHBondContact O-N 2.8Å; F1152-L1156 VanDerWaalsContact O-N 3.12Å; E1153-L1156 PolarHBondContact O-N 2.9Å; W1154-L1156 VanDerWaalsContact C-N 3.3Å; W1154-L1156 PolarHBondContact O-N 2.9Å; L1156-L1159 PolarHBondContact O-N 2.91Å; L1156-L1160 PolarHBondContact O-N 2.86Å
1157R92.7Very high90.9Very high88 Ų8842.6 Ų42.633%0.33223%0.232SC..Hα-helixtrans-67.2-39.3174.4-66.9179.1-165.6177.29.7112.1E1153 W1154 R1155 L1160 I1161E1153-R1157 WeakPolarHBondContact O-CG 3.38Å; E1153-R1157 PolarHBondContact O-N 3.38Å; E1153-R1157 IonicContact OE2-NH2 3.88Å; W1154-R1157 HydrophobicContact CE3-CB 4.22Å; W1154-R1157 HydrophobicContact CZ3-CB 4.48Å; W1154-R1157 CarbonylContact O-C 3.52Å; W1154-R1157 WeakPolarHBondContact O-CA 3.04Å; W1154-R1157 WeakPolarHBondContact O-CB 3.42Å; W1154-R1157 PolarHBondContact O-N 2.88Å; R1155-R1157 VanDerWaalsContact C-N 3.34Å; R1157-L1160 WeakPolarHBondContact O-CB 3.4Å; R1157-L1160 PolarHBondContact O-N 3.32Å; R1157-I1161 WeakPolarHBondContact O-CG1 3.18Å; R1157-I1161 PolarHBondContact O-N 3.09Å
1158L92.8Very high91.3Very high0 Ų044.5 Ų44.50%024%0.244CC..Hα-helixtrans-59.6-46172.8-71.3176.2000110.9T1041 Y1090 V1091 W1154 R1155 L1160 I1161 I1162T1041-L1158 HydrophobicContact CG2-CD2 3.86Å; Y1090-L1158 HydrophobicContact CD2-CD1 4.48Å; V1091-L1158 HydrophobicContact CG2-CD2 4.05Å; W1154-L1158 HydrophobicContact CD2-CG 4.44Å; W1154-L1158 HydrophobicContact CG-CG 4.47Å; W1154-L1158 HydrophobicContact CZ2-CD2 3.87Å; W1154-L1158 HydrophobicContact CZ2-CG 4.43Å; W1154-L1158 WeakPolarHBondContact O-CG 3.46Å; W1154-L1158 PolarHBondContact O-N 3.42Å; R1155-L1158 PolarHBondContact O-N 3.02Å; L1158-L1160 VanDerWaalsContact C-N 3.29Å; L1158-L1160 PolarHBondContact O-N 3.44Å; L1158-I1161 WeakPolarHBondContact O-CB 3.31Å; L1158-I1161 PolarHBondContact O-N 2.92Å; L1158-I1161 VanDerWaalsContact O-N 3.16Å; L1158-I1162 WeakPolarHBondContact O-CD1 3.35Å; L1158-I1162 VanDerWaalsContact O-CG1 3.26Å; L1158-I1162 WeakPolarHBondContact O-CG1 3.13Å; L1158-I1162 PolarHBondContact O-N 3.3Å
1159L93.8Very high91.6Very high46 Ų4644.4 Ų44.424%0.24124%0.244CC..Hα-helixtrans-57.9-42.2175.1-179.265.4000111.7L1131 M1134 F1135 R1155 L1156 I1162 A1163L1131-L1159 HydrophobicContact CD2-CD1 3.78Å; M1134-L1159 HydrophobicContact CE-CB 4.02Å; M1134-L1159 HydrophobicContact CE-CD1 4.21Å; F1135-L1159 HydrophobicContact CE2-CD2 4.02Å; F1135-L1159 HydrophobicContact CZ-CB 4.38Å; F1135-L1159 HydrophobicContact CZ-CD2 3.72Å; R1155-L1159 PolarHBondContact O-N 3.18Å; L1156-L1159 PolarHBondContact O-N 2.91Å; L1159-I1162 PolarHBondContact O-N 3.02Å; L1159-A1163 WeakPolarHBondContact O-CB 3.26Å; L1159-A1163 PolarHBondContact O-N 3.47Å
1160L94.5Very high92Very high107 Ų10746.8 Ų46.856%0.5626%0.258SS*.Hα-helixtrans-62.1-45.7176-177.269.2000111.5L1156 R1157 L1158 I1162 A1163 V1164L1156-L1160 PolarHBondContact O-N 2.86Å; R1157-L1160 WeakPolarHBondContact O-CB 3.4Å; R1157-L1160 PolarHBondContact O-N 3.32Å; L1158-L1160 VanDerWaalsContact C-N 3.29Å; L1158-L1160 PolarHBondContact O-N 3.44Å; L1160-I1162 VanDerWaalsContact C-N 3.3Å; L1160-I1162 PolarHBondContact O-N 3.03Å; L1160-A1163 PolarHBondContact O-N 3.47Å; L1160-V1164 HydrophobicContact CD1-CG2 4.39Å; L1160-V1164 HydrophobicContact CG-CG2 4.47Å; L1160-V1164 VanDerWaalsContact O-CG2 3.29Å; L1160-V1164 WeakPolarHBondContact O-CG2 3.29Å; L1160-V1164 PolarHBondContact O-N 3.47Å
1161I94.7Very high92.2Very high12 Ų1251.7 Ų51.76%0.06228%0.283CS..Hα-helixtrans-57.1-46.2175.7-68.9166.8000110.3F1037 W1044 V1091 R1157 L1158 V1164 N1165F1037-I1161 HydrophobicContact CD1-CG2 3.92Å; W1044-I1161 HydrophobicContact CE3-CD1 3.78Å; W1044-I1161 HydrophobicContact CE3-CG1 4.46Å; W1044-I1161 HydrophobicContact CZ3-CD1 3.82Å; W1044-I1161 HydrophobicContact CZ3-CG1 4.05Å; V1091-I1161 HydrophobicContact CG2-CG2 4.47Å; R1157-I1161 WeakPolarHBondContact O-CG1 3.18Å; R1157-I1161 PolarHBondContact O-N 3.09Å; L1158-I1161 WeakPolarHBondContact O-CB 3.31Å; L1158-I1161 PolarHBondContact O-N 2.92Å; L1158-I1161 VanDerWaalsContact O-N 3.16Å; I1161-V1164 PolarHBondContact O-N 3.05Å; I1161-N1165 VanDerWaalsContact O-CB 3.24Å; I1161-N1165 WeakPolarHBondContact O-CB 3.32Å; I1161-N1165 PolarHBondContact O-N 2.86Å
1162I94.9Very high92.3Very high1 Ų151.6 Ų51.61%0.00528%0.282CS..Hα-helixtrans-63.1-44.3178.9-68156.2000111.2V1091 F1094 I1098 M1134 L1158 L1159 L1160 N1165 A1166V1091-I1162 HydrophobicContact CG2-CG1 4.37Å; F1094-I1162 HydrophobicContact CB-CD1 4.27Å; F1094-I1162 HydrophobicContact CB-CG1 4.13Å; F1094-I1162 HydrophobicContact CB-CG2 3.61Å; F1094-I1162 HydrophobicContact CD1-CG2 4.15Å; F1094-I1162 HydrophobicContact CD2-CD1 3.29Å; F1094-I1162 HydrophobicContact CD2-CG1 4.09Å; F1094-I1162 HydrophobicContact CD2-CG2 4.26Å; F1094-I1162 HydrophobicContact CE2-CD1 3.77Å; F1094-I1162 HydrophobicContact CG-CD1 3.95Å; F1094-I1162 HydrophobicContact CG-CG1 4.31Å; F1094-I1162 HydrophobicContact CG-CG2 3.77Å; I1098-I1162 HydrophobicContact CD1-CG2 4.26Å; M1134-I1162 HydrophobicContact SD-CD1 4.44Å; L1158-I1162 WeakPolarHBondContact O-CD1 3.35Å; L1158-I1162 VanDerWaalsContact O-CG1 3.26Å; L1158-I1162 WeakPolarHBondContact O-CG1 3.13Å; L1158-I1162 PolarHBondContact O-N 3.3Å; L1159-I1162 PolarHBondContact O-N 3.02Å; L1160-I1162 VanDerWaalsContact C-N 3.3Å; L1160-I1162 PolarHBondContact O-N 3.03Å; I1162-N1165 PolarHBondContact O-N 2.77Å; I1162-A1166 WeakPolarHBondContact O-CB 3.39Å; I1162-A1166 PolarHBondContact O-N 3.46Å
1163A94.6Very high92.2Very high51 Ų5145.6 Ų45.642%0.42126%0.256SS..Hα-helixtrans-65-42.617900000112.2L1159 L1160 A1166 A1167L1159-A1163 WeakPolarHBondContact O-CB 3.26Å; L1159-A1163 PolarHBondContact O-N 3.47Å; L1160-A1163 PolarHBondContact O-N 3.47Å; A1163-A1166 PolarHBondContact O-N 2.9Å; A1163-A1167 PolarHBondContact O-N 2.76Å
1164V95.8Very high91.7Very high65 Ų6542.3 Ų42.339%0.39425%0.245SC..Hα-helixtrans-65.7-42.8175.8176.20000110.5F1037 L1160 I1161 A1166 A1167 V1168F1037-V1164 HydrophobicContact CE1-CB 4.46Å; F1037-V1164 HydrophobicContact CE1-CG1 4.1Å; F1037-V1164 HydrophobicContact CZ-CG1 3.91Å; L1160-V1164 HydrophobicContact CD1-CG2 4.39Å; L1160-V1164 HydrophobicContact CG-CG2 4.47Å; L1160-V1164 VanDerWaalsContact O-CG2 3.29Å; L1160-V1164 WeakPolarHBondContact O-CG2 3.29Å; L1160-V1164 PolarHBondContact O-N 3.47Å; I1161-V1164 PolarHBondContact O-N 3.05Å; V1164-A1166 PolarHBondContact O-N 3.33Å; V1164-A1167 PolarHBondContact O-N 2.93Å; V1164-V1168 HydrophobicContact CG1-CG2 4.24Å; V1164-V1168 WeakPolarHBondContact O-CB 3.47Å; V1164-V1168 VanDerWaalsContact O-CG2 3.31Å; V1164-V1168 WeakPolarHBondContact O-CG2 3.41Å; V1164-V1168 PolarHBondContact O-N 3.26Å
1165N94.9Very high90.9Very high1 Ų148 Ų481%0.00527%0.27CS..Hα-helixtrans-58.2-47.7175.1-176.716.4000111.5F1037 Q1095 I1161 I1162 A1167 V1168 S1169F1037-N1165 HydrophobicContact CD1-CB 4.09Å; F1037-N1165 HydrophobicContact CD2-CB 3.73Å; F1037-N1165 VanDerWaalsContact CD2-CG 3.49Å; F1037-N1165 VanDerWaalsContact CD2-OD1 3.29Å; F1037-N1165 WeakPolarHBondContact CD2-OD1 3.38Å; F1037-N1165 HydrophobicContact CE1-CB 4.18Å; F1037-N1165 HydrophobicContact CE2-CB 3.85Å; F1037-N1165 HydrophobicContact CG-CB 3.87Å; F1037-N1165 HydrophobicContact CZ-CB 4.08Å; Q1095-N1165 WeakPolarHBondContact CG-ND2 3Å; Q1095-N1165 PolarHBondContact NE2-ND2 3.35Å; Q1095-N1165 VanDerWaalsContact NE2-ND2 3.18Å; I1161-N1165 VanDerWaalsContact O-CB 3.24Å; I1161-N1165 WeakPolarHBondContact O-CB 3.32Å; I1161-N1165 PolarHBondContact O-N 2.86Å; I1162-N1165 PolarHBondContact O-N 2.77Å; N1165-A1167 PolarHBondContact O-N 2.75Å; N1165-V1168 PolarHBondContact O-N 2.99Å; N1165-S1169 WeakPolarHBondContact O-CB 3.27Å; N1165-S1169 PolarHBondContact O-N 3.39Å; N1165-S1169 PolarHBondContact O-OG 3.14Å
1166A93.8Very high89.6Confident27 Ų2749.7 Ų49.722%0.22328%0.279CS..Hα-helixtrans-57.6-46.2175.800000112.3I1098 I1162 A1163 V1164 V1170I1098-A1166 HydrophobicContact CD1-CB 3.74Å; I1098-A1166 HydrophobicContact CG1-CB 3.88Å; I1098-A1166 HydrophobicContact CG2-CB 4.35Å; I1162-A1166 WeakPolarHBondContact O-CB 3.39Å; I1162-A1166 PolarHBondContact O-N 3.46Å; A1163-A1166 PolarHBondContact O-N 2.9Å; V1164-A1166 PolarHBondContact O-N 3.33Å; A1166-V1170 WeakPolarHBondContact O-CB 3.33Å; A1166-V1170 VanDerWaalsContact O-CG2 3.26Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.38Å; A1166-V1170 PolarHBondContact O-N 2.86Å
1167A93.5Very high88.3Confident62 Ų6245.6 Ų45.651%0.51226%0.258SS..Hα-helixtrans-62.8-45.1178.800000112.1A1163 V1164 N1165 L1171A1163-A1167 PolarHBondContact O-N 2.76Å; V1164-A1167 PolarHBondContact O-N 2.93Å; N1165-A1167 PolarHBondContact O-N 2.75Å; A1167-L1171 VanDerWaalsContact O-CB 3.23Å; A1167-L1171 WeakPolarHBondContact O-CB 3.46Å; A1167-L1171 PolarHBondContact O-N 3.18Å
1168V93.8Very high87Confident54 Ų5444.2 Ų44.233%0.32726%0.257SS..Hα-helixtrans-65.8-46.4178.8172.50000111.1I1033 F1037 V1164 N1165 V1170 L1171 V1172I1033-V1168 HydrophobicContact CD1-CG1 4.22Å; I1033-V1168 HydrophobicContact CG1-CG1 4.35Å; I1033-V1168 HydrophobicContact CG2-CG1 4.25Å; F1037-V1168 HydrophobicContact CE2-CB 4.38Å; F1037-V1168 HydrophobicContact CZ-CG2 4.4Å; V1164-V1168 HydrophobicContact CG1-CG2 4.24Å; V1164-V1168 WeakPolarHBondContact O-CB 3.47Å; V1164-V1168 VanDerWaalsContact O-CG2 3.31Å; V1164-V1168 WeakPolarHBondContact O-CG2 3.41Å; V1164-V1168 PolarHBondContact O-N 3.26Å; N1165-V1168 PolarHBondContact O-N 2.99Å; V1168-V1170 PolarHBondContact O-N 3.06Å; V1168-L1171 PolarHBondContact O-N 2.89Å; V1168-V1172 HydrophobicContact CG1-CG2 4.3Å; V1168-V1172 WeakPolarHBondContact O-CB 3.26Å; V1168-V1172 WeakPolarHBondContact O-CG2 3.43Å; V1168-V1172 PolarHBondContact O-N 3.23Å
1169S92.5Very high85.5Confident1 Ų147.6 Ų47.61%0.00728%0.275CS..Hα-helixtrans-60.5-43.3178.2-79.90000112.3Q1030 N1165 E1173Q1030-S1169 PolarHBondContact NE2-O 3.47Å; Q1030-S1169 PolarHBondContact OE1-OG 3.1Å; N1165-S1169 WeakPolarHBondContact O-CB 3.27Å; N1165-S1169 PolarHBondContact O-N 3.39Å; N1165-S1169 PolarHBondContact O-OG 3.14Å; S1169-E1173 WeakPolarHBondContact O-CB 3.4Å; S1169-E1173 PolarHBondContact O-N 3.06Å; S1169-E1173 VanDerWaalsContact O-N 3.09Å
1170V89.9Confident83.7Confident66 Ų6649.4 Ų49.440%0.428%0.284SS..Hα-helixtrans-66.7-46.1176.3171.50000111.1V1102 A1166 V1168 E1173 T1174V1102-V1170 HydrophobicContact CG2-CG2 3.78Å; A1166-V1170 WeakPolarHBondContact O-CB 3.33Å; A1166-V1170 VanDerWaalsContact O-CG2 3.26Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.38Å; A1166-V1170 PolarHBondContact O-N 2.86Å; V1168-V1170 PolarHBondContact O-N 3.06Å; V1170-E1173 PolarHBondContact O-N 2.9Å; V1170-T1174 HydrophobicContact CG1-CG2 4.21Å; V1170-T1174 VanDerWaalsContact O-CB 3.32Å; V1170-T1174 WeakPolarHBondContact O-CB 3.49Å; V1170-T1174 VanDerWaalsContact O-CG2 3.28Å; V1170-T1174 WeakPolarHBondContact O-CG2 3.32Å; V1170-T1174 PolarHBondContact O-N 2.91Å; V1170-T1174 PolarHBondContact O-OG1 2.88Å
1171L89Confident81.8Confident104 Ų10446.1 Ų46.155%0.54527%0.266SS..Hα-helixtrans-62.2-44.5179.4-170.3152.1000111.5A1167 V1168 T1174 F1175A1167-L1171 VanDerWaalsContact O-CB 3.23Å; A1167-L1171 WeakPolarHBondContact O-CB 3.46Å; A1167-L1171 PolarHBondContact O-N 3.18Å; V1168-L1171 PolarHBondContact O-N 2.89Å; L1171-T1174 PolarHBondContact O-N 3.45Å; L1171-T1174 PolarHBondContact O-OG1 3.45Å; L1171-F1175 HydrophobicContact CD2-CB 4.27Å; L1171-F1175 WeakPolarHBondContact O-CA 3.48Å; L1171-F1175 WeakPolarHBondContact O-CB 3.27Å; L1171-F1175 PolarHBondContact O-N 2.95Å
1172V87.3Confident80Confident21 Ų2149.2 Ų49.213%0.12728%0.277CS..Iπ-helixtrans-65.3-46178.7166.20000111.4I1033 V1168 T1174 I1176I1033-V1172 HydrophobicContact CD1-CB 3.9Å; I1033-V1172 HydrophobicContact CD1-CG1 3.94Å; I1033-V1172 HydrophobicContact CD1-CG2 3.92Å; V1168-V1172 HydrophobicContact CG1-CG2 4.3Å; V1168-V1172 WeakPolarHBondContact O-CB 3.26Å; V1168-V1172 WeakPolarHBondContact O-CG2 3.43Å; V1168-V1172 PolarHBondContact O-N 3.23Å; V1172-T1174 VanDerWaalsContact C-N 3.35Å; V1172-T1174 PolarHBondContact O-N 3.23Å; V1172-I1176 HydrophobicContact CB-CD1 4.44Å; V1172-I1176 HydrophobicContact CG1-CD1 4.01Å; V1172-I1176 HydrophobicContact CG1-CG1 4.47Å; V1172-I1176 HydrophobicContact CG2-CD1 4.21Å; V1172-I1176 VanDerWaalsContact O-CB 3.31Å; V1172-I1176 WeakPolarHBondContact O-CB 3.4Å; V1172-I1176 PolarHBondContact O-N 2.96Å
1173E85.4Confident78Confident11 Ų1156.4 Ų56.45%0.05131%0.309CS..Iπ-helixtrans-68.2-34.6-180-170.272.9-168.700111.9K957 S1026 V1102 K1105 S1169 V1170 L1177K957-E1173 IonicContact NZ-OE1 3.96Å; S1026-E1173 VanDerWaalsContact OG-CD 3.29Å; S1026-E1173 PolarHBondContact OG-OE1 3.38Å; S1026-E1173 PolarHBondContact OG-OE2 2.66Å; V1102-E1173 HydrophobicContact CG1-CB 3.49Å; V1102-E1173 VanDerWaalsContact CG1-CB 3.49Å; V1102-E1173 HydrophobicContact CG1-CG 3.5Å; K1105-E1173 PolarHBondContact NZ-O 2.95Å; S1169-E1173 WeakPolarHBondContact O-CB 3.4Å; S1169-E1173 PolarHBondContact O-N 3.06Å; S1169-E1173 VanDerWaalsContact O-N 3.09Å; V1170-E1173 PolarHBondContact O-N 2.9Å; E1173-L1177 HydrophobicContact CG-CD1 4.26Å; E1173-L1177 WeakPolarHBondContact OE1-CD1 3.29Å; E1173-L1177 WeakPolarHBondContact OE2-CD1 3.18Å
1174T79Confident75.7Confident59 Ų5958.5 Ų58.536%0.36231%0.312SS..Iπ-helixtrans-81.6-45.5179.6530000112.2V1170 L1171 V1172 D1178V1170-T1174 HydrophobicContact CG1-CG2 4.21Å; V1170-T1174 VanDerWaalsContact O-CB 3.32Å; V1170-T1174 WeakPolarHBondContact O-CB 3.49Å; V1170-T1174 VanDerWaalsContact O-CG2 3.28Å; V1170-T1174 WeakPolarHBondContact O-CG2 3.32Å; V1170-T1174 PolarHBondContact O-N 2.91Å; V1170-T1174 PolarHBondContact O-OG1 2.88Å; L1171-T1174 PolarHBondContact O-N 3.45Å; L1171-T1174 PolarHBondContact O-OG1 3.45Å; V1172-T1174 VanDerWaalsContact C-N 3.35Å; V1172-T1174 PolarHBondContact O-N 3.23Å; T1174-D1178 WeakPolarHBondContact O-CB 3.29Å; T1174-D1178 PolarHBondContact O-N 3.45Å
1175F72.3Confident73.5Confident118 Ų11857.1 Ų57.152%0.51831%0.308SS..Iπ-helixtrans-83.5-44.2-171.2-153.6-94.5000112L1171 I1179L1171-F1175 HydrophobicContact CD2-CB 4.27Å; L1171-F1175 WeakPolarHBondContact O-CA 3.48Å; L1171-F1175 WeakPolarHBondContact O-CB 3.27Å; L1171-F1175 PolarHBondContact O-N 2.95Å; F1175-I1179 HydrophobicContact CD1-CD1 4.41Å; F1175-I1179 HydrophobicContact CD2-CD1 3.57Å; F1175-I1179 HydrophobicContact CE1-CD1 4.44Å; F1175-I1179 HydrophobicContact CE2-CD1 3.61Å; F1175-I1179 HydrophobicContact CG-CD1 4Å; F1175-I1179 HydrophobicContact CZ-CD1 4.06Å; F1175-I1179 VanDerWaalsContact O-CB 3.26Å; F1175-I1179 WeakPolarHBondContact O-CB 3.37Å; F1175-I1179 PolarHBondContact O-N 3.46Å
1176I64.1Low71.1Confident51 Ų5159.9 Ų59.926%0.26232%0.322SS..Iπ-helixtrans-79.2-41.1-173.5-55.5-171.6000111.4F1025 V1172 I1180 L1181F1025-I1176 HydrophobicContact CE1-CG2 3.67Å; F1025-I1176 HydrophobicContact CZ-CG2 4.2Å; V1172-I1176 HydrophobicContact CB-CD1 4.44Å; V1172-I1176 HydrophobicContact CG1-CD1 4.01Å; V1172-I1176 HydrophobicContact CG1-CG1 4.47Å; V1172-I1176 HydrophobicContact CG2-CD1 4.21Å; V1172-I1176 VanDerWaalsContact O-CB 3.31Å; V1172-I1176 WeakPolarHBondContact O-CB 3.4Å; V1172-I1176 PolarHBondContact O-N 2.96Å; I1176-I1180 WeakPolarHBondContact O-CB 3.41Å; I1176-I1180 PolarHBondContact O-N 3.3Å; I1176-L1181 PolarHBondContact O-N 2.96Å
1177L65Low68.5Low13 Ų1361.9 Ų61.97%0.06833%0.334CS..Iπ-helixtrans-81.3-43.5-179.3-77.7149.2000113.3P1022 F1025 E1173 L1181 W1182P1022-L1177 HydrophobicContact CB-CD2 4.37Å; P1022-L1177 VanDerWaalsContact O-CD2 3.31Å; P1022-L1177 WeakPolarHBondContact O-CD2 3.09Å; F1025-L1177 HydrophobicContact CD1-CD2 4.39Å; E1173-L1177 HydrophobicContact CG-CD1 4.26Å; E1173-L1177 WeakPolarHBondContact OE1-CD1 3.29Å; E1173-L1177 WeakPolarHBondContact OE2-CD1 3.18Å; L1177-L1181 HydrophobicContact CD2-CB 4.37Å; L1177-L1181 HydrophobicContact CD2-CD1 4.42Å; L1177-W1182 WeakPolarHBondContact O-CB 3.18Å; L1177-W1182 PolarHBondContact O-N 2.74Å
1178D64.9Low65.9Low59 Ų5966 Ų6632%0.31634%0.337SS..Iπ-helixtrans-78-33.3-174.8-55.6-31.3000112K1105 T1174 W1182K1105-D1178 VanDerWaalsContact NZ-CG 3.33Å; K1105-D1178 IonicContact NZ-OD1 3.2Å; K1105-D1178 PolarHBondContact NZ-OD1 2.96Å; K1105-D1178 IonicContact NZ-OD2 2.78Å; K1105-D1178 PolarHBondContact NZ-OD2 2.87Å; T1174-D1178 WeakPolarHBondContact O-CB 3.29Å; T1174-D1178 PolarHBondContact O-N 3.45Å; D1178-W1182 HydrophobicContact CB-CE3 4.29Å; D1178-W1182 VanDerWaalsContact OD1-CE3 3.31Å; D1178-W1182 WeakPolarHBondContact OD1-CZ3 3.25Å
1179I62.3Low63.2Low70 Ų7068.5 Ų68.536%0.35935%0.349SS..Iπ-helixtrans-94.8-50.3-176.8-54.3175.9000112.1F1175 K1183F1175-I1179 HydrophobicContact CD1-CD1 4.41Å; F1175-I1179 HydrophobicContact CD2-CD1 3.57Å; F1175-I1179 HydrophobicContact CE1-CD1 4.44Å; F1175-I1179 HydrophobicContact CE2-CD1 3.61Å; F1175-I1179 HydrophobicContact CG-CD1 4Å; F1175-I1179 HydrophobicContact CZ-CD1 4.06Å; F1175-I1179 VanDerWaalsContact O-CB 3.26Å; F1175-I1179 WeakPolarHBondContact O-CB 3.37Å; F1175-I1179 PolarHBondContact O-N 3.46Å; I1179-K1183 WeakPolarHBondContact O-CB 3.39Å; I1179-K1183 WeakPolarHBondContact O-CD 3.45Å; I1179-K1183 WeakPolarHBondContact O-CG 3.44Å
1180I55.4Low60.5Low84 Ų8476.3 Ų76.343%0.43138%0.382SS..Iπ-helixtrans-86.6-57.2-171-59.6173.4000109.7I1176 L1184I1176-I1180 WeakPolarHBondContact O-CB 3.41Å; I1176-I1180 PolarHBondContact O-N 3.3Å; I1180-L1184 HydrophobicContact CG2-CD1 3.7Å; I1180-L1184 VanDerWaalsContact O-CB 3.26Å; I1180-L1184 WeakPolarHBondContact O-CB 3.34Å; I1180-L1184 WeakPolarHBondContact O-CD1 3.29Å; I1180-L1184 PolarHBondContact O-N 2.95Å
1181L55.7Low57.8Low38 Ų3880.4 Ų80.420%0.19940%0.397CS..Iπ-helixtrans-75.4-35.6-170.7-130.5135.9000112.8P1022 F1025 I1176 L1177 A1185P1022-L1181 HydrophobicContact CB-CD2 3.66Å; P1022-L1181 HydrophobicContact CG-CD2 3.65Å; F1025-L1181 HydrophobicContact CB-CD1 4.22Å; F1025-L1181 HydrophobicContact CD1-CD1 3.35Å; F1025-L1181 HydrophobicContact CD2-CD1 4.4Å; F1025-L1181 HydrophobicContact CE1-CD1 3.72Å; F1025-L1181 HydrophobicContact CG-CD1 3.73Å; F1025-L1181 HydrophobicContact CZ-CD1 4.38Å; I1176-L1181 PolarHBondContact O-N 2.96Å; L1177-L1181 HydrophobicContact CD2-CB 4.37Å; L1177-L1181 HydrophobicContact CD2-CD1 4.42Å; L1181-A1185 WeakPolarHBondContact O-CB 3.37Å; L1181-A1185 PolarHBondContact O-N 3.44Å
1182W55.1Low55.3Low77 Ų7776.7 Ų76.729%0.29238%0.381SS..Hα-helixtrans-74.9-37.2171.7-91.3-26.2000114R1012 L1177 D1178 L1186R1012-W1182 VanDerWaalsContact CZ-CE2 3.44Å; R1012-W1182 VanDerWaalsContact NH1-CD2 3.3Å; R1012-W1182 VanDerWaalsContact NH1-CE3 3.26Å; R1012-W1182 VanDerWaalsContact NH1-CZ3 3.31Å; L1177-W1182 WeakPolarHBondContact O-CB 3.18Å; L1177-W1182 PolarHBondContact O-N 2.74Å; D1178-W1182 HydrophobicContact CB-CE3 4.29Å; D1178-W1182 VanDerWaalsContact OD1-CE3 3.31Å; D1178-W1182 WeakPolarHBondContact OD1-CZ3 3.25Å; W1182-L1186 HydrophobicContact CB-CD1 3.96Å; W1182-L1186 HydrophobicContact CG-CD1 4.1Å; W1182-L1186 WeakPolarHBondContact O-CB 3.41Å; W1182-L1186 WeakPolarHBondContact O-CD1 3.43Å; W1182-L1186 PolarHBondContact O-N 3.05Å
1183K53.1Low52.7Low153 Ų15379.1 Ų79.167%0.66540%0.396SS*.Hα-helixtrans-64.1-41.1171.3-76.4-176.5172.4-178.90112.2I1179 S1187I1179-K1183 WeakPolarHBondContact O-CB 3.39Å; I1179-K1183 WeakPolarHBondContact O-CD 3.45Å; I1179-K1183 WeakPolarHBondContact O-CG 3.44Å; K1183-S1187 PolarHBondContact O-N 3.4Å
1184L47.1Very low50.2Low94 Ų9482.4 Ų82.449%0.49242%0.418SS..Hα-helixtrans-71.4-37.5179.1-87149.4000113.4I1180I1180-L1184 HydrophobicContact CG2-CD1 3.7Å; I1180-L1184 VanDerWaalsContact O-CB 3.26Å; I1180-L1184 WeakPolarHBondContact O-CB 3.34Å; I1180-L1184 WeakPolarHBondContact O-CD1 3.29Å; I1180-L1184 PolarHBondContact O-N 2.95Å
1185A50.1Low48Very low37 Ų3782 Ų8231%0.30642%0.421SS..Hα-helixtrans-73.5-34.2174.200000112.1L1181 R1188 D1189L1181-A1185 WeakPolarHBondContact O-CB 3.37Å; L1181-A1185 PolarHBondContact O-N 3.44Å; A1185-R1188 VanDerWaalsContact O-CB 3.23Å; A1185-R1188 WeakPolarHBondContact O-CB 3.48Å; A1185-R1188 PolarHBondContact O-N 3.01Å; A1185-D1189 PolarHBondContact O-N 3.31Å
1186L43.8Very low46.1Very low58 Ų5880.7 Ų80.730%0.30443%0.432SS..Hα-helixtrans-81.6-23.3178.4-86.1120.4000114.6W1182 R1188 D1189 K1190W1182-L1186 HydrophobicContact CB-CD1 3.96Å; W1182-L1186 HydrophobicContact CG-CD1 4.1Å; W1182-L1186 WeakPolarHBondContact O-CB 3.41Å; W1182-L1186 WeakPolarHBondContact O-CD1 3.43Å; W1182-L1186 PolarHBondContact O-N 3.05Å; L1186-R1188 PolarHBondContact O-N 3.48Å; L1186-D1189 PolarHBondContact O-N 2.92Å; L1186-K1190 VanDerWaalsContact O-CB 3.32Å; L1186-K1190 WeakPolarHBondContact O-CB 3.34Å; L1186-K1190 PolarHBondContact O-N 3.17Å
1187S39.8Very low44.4Very low69 Ų6984.4 Ų84.448%0.48346%0.46SS..Hα-helixtrans-61.3-25.8167.488.90000110.7K1183 Q1191K1183-S1187 PolarHBondContact O-N 3.4Å; S1187-Q1191 WeakPolarHBondContact O-CG 3.29Å
1188R38.3Very low42.7Very low149 Ų14989.1 Ų89.156%0.56249%0.489SS*.Hα-helixtrans-79-39.7176.3-129.6175.4172.5170.10.5113.6A1185 L1186 T1219A1185-R1188 VanDerWaalsContact O-CB 3.23Å; A1185-R1188 WeakPolarHBondContact O-CB 3.48Å; A1185-R1188 PolarHBondContact O-N 3.01Å; L1186-R1188 PolarHBondContact O-N 3.48Å; R1188-T1219 PolarHBondContact NH2-OG1 3.48Å
1189D37Very low41Very low107 Ų10792.6 Ų92.657%0.57252%0.515SS*.Hα-helixtrans-82.6-27.4177.7-92.8-11.3000113.3A1185 L1186 Q1191 A1192A1185-D1189 PolarHBondContact O-N 3.31Å; L1186-D1189 PolarHBondContact O-N 2.92Å; D1189-Q1191 PolarHBondContact O-N 2.61Å; D1189-A1192 PolarHBondContact O-N 3.18Å; D1189-A1192 VanDerWaalsContact O-N 3.14Å
1190K35.6Very low39.4Very low164 Ų16496.1 Ų96.171%0.71353%0.53SS*.G310 helixtrans-68.5-20.1170.6-81.2-170.9172.7-170.50112.9L1186 A1192L1186-K1190 VanDerWaalsContact O-CB 3.32Å; L1186-K1190 WeakPolarHBondContact O-CB 3.34Å; L1186-K1190 PolarHBondContact O-N 3.17Å; K1190-A1192 PolarHBondContact O-N 3.34Å
1191Q33.9Very low38.2Very low152 Ų15296.1 Ų96.171%0.7154%0.542SS*.G310 helixtrans-813.1171.8-79.7178.2-11.800113.3S1187 D1189S1187-Q1191 WeakPolarHBondContact O-CG 3.29Å; D1189-Q1191 PolarHBondContact O-N 2.61Å
1192A35.3Very low36.8Very low26 Ų2698.5 Ų98.522%0.21557%0.568CS.*G310 helixtrans-127.938.7-177.100000112.8D1189 K1190 M1226D1189-A1192 PolarHBondContact O-N 3.18Å; D1189-A1192 VanDerWaalsContact O-N 3.14Å; K1190-A1192 PolarHBondContact O-N 3.34Å; A1192-M1226 HydrophobicContact CB-CE 4.07Å; A1192-M1226 HydrophobicContact CB-SD 4.1Å
1193T33.9Very low35.6Very low72 Ų72100.4 Ų100.444%0.44259%0.587SS.*SBendtrans-80.3144.215134.80000108.9A1195T1193-A1195 PolarHBondContact O-N 2.72Å; T1193-A1195 PolarHBondContact OG1-O 2.92Å
1194P32.6Very low34.4Very low80 Ų8098.3 Ų98.352%0.51958%0.584SS.*SBendtrans-67.622.8161.6-3.217.6000112.7A1229P1194-A1229 HydrophobicContact CB-CB 4.25Å
1195A32.7Very low33.5Very low51 Ų51100.6 Ų100.642%0.42159%0.593SS.*SBendtrans-144.5117.2-175.500000110.3T1193T1193-A1195 PolarHBondContact O-N 2.72Å; T1193-A1195 PolarHBondContact OG1-O 2.92Å
1196A32.3Very low32.4Very low90 Ų90107 Ų10774%0.74462%0.617SS**  trans66.7119.4167.300000119.8
1197P28.9Very low31.7Very low130 Ų130107.7 Ų107.784%0.84463%0.631SS**  trans-82.4133.6156.731.7-27.7000111
1198T28.4Very low31.3Very low111 Ų111112.6 Ų112.668%0.68164%0.64SS**  trans-91.6140.8167.846.70000111.4Q1200T1198-Q1200 VanDerWaalsContact C-N 3.35Å; T1198-Q1200 PolarHBondContact O-N 3.01Å
1199P29.7Very low30.9Very low133 Ų133113.4 Ų113.486%0.86465%0.648SS**SBendtrans-80.479.7173.333.2-31.5000110.3
1200Q29.3Very low30.6Very low144 Ų144114 Ų11467%0.67366%0.659SS**  trans-131.125.4170.5-124.41642.500112.2T1198T1198-Q1200 VanDerWaalsContact C-N 3.35Å; T1198-Q1200 PolarHBondContact O-N 3.01Å
1201A28.9Very low30.4Very low83 Ų83113.5 Ų113.569%0.68666%0.663SS**THydrogen-bonded Turntrans-85.4-4.3-178.900000114.6
1202A27.3Very low30.3Very low89 Ų89114.8 Ų114.874%0.73667%0.667SS**THydrogen-bonded Turntrans-94.9-22.4-17600000114.5
1203V29.9Very low30.1Very low116 Ų116125 Ų12570%0.70370%0.7SS**THydrogen-bonded Turntrans-101.1-31-173.6-174.50000112.6M1205V1203-M1205 PolarHBondContact O-N 3.18Å
1204D27.2Very low30Very low110 Ų110128.5 Ų128.559%0.58872%0.715SS**THydrogen-bonded Turntrans-82.5-12.4-178.5-80.1-19.1000114.5Q1206 A1207 Y1208D1204-Q1206 PolarHBondContact O-N 3.35Å; D1204-A1207 PolarHBondContact O-N 3.14Å; D1204-Y1208 PolarHBondContact O-N 2.98Å
1205M28.3Very low29.8Very low141 Ų141130.3 Ų130.370%0.69573%0.728SS**THydrogen-bonded Turntrans-73.2-11.3179.6-160.9146.770.200113.3V1203V1203-M1205 PolarHBondContact O-N 3.18Å
1206Q28.2Very low29.8Very low171 Ų171134.3 Ų134.380%0.79975%0.75SS**THydrogen-bonded Turntrans-91.6-27.5177.7-151.4152.2-7.200112.6D1204D1204-Q1206 PolarHBondContact O-N 3.35Å
1207A28.8Very low29.8Very low73 Ų73140.7 Ų140.760%0.60376%0.755SS**THydrogen-bonded Turntrans-80.9-28.4172.400000112.7D1204 K1209D1204-A1207 PolarHBondContact O-N 3.14Å; A1207-K1209 VanDerWaalsContact C-N 3.28Å; A1207-K1209 PolarHBondContact O-N 3.46Å
1208Y31.4Very low30.2Very low173 Ų173144.8 Ų144.868%0.67876%0.759SS**G310 helixtrans-71.9-15.3-177.7-133.6-92.6000114.6D1204 C1210D1204-Y1208 PolarHBondContact O-N 2.98Å; Y1208-C1210 VanDerWaalsContact C-N 3.29Å; Y1208-C1210 PolarHBondContact O-N 2.98Å
1209K28.5Very low30.7Very low166 Ų166143.6 Ų143.672%0.72275%0.752SS**G310 helixtrans-76.1-9.7179-86.4-179.5177.4174.30114.4A1207A1207-K1209 VanDerWaalsContact C-N 3.28Å; A1207-K1209 PolarHBondContact O-N 3.46Å
1210C30.4Very low30.9Very low119 Ų119144.3 Ų144.380%0.80475%0.745SS**G310 helixtrans-93.8-18.4-173.4-107.50000115.9Y1208Y1208-C1210 VanDerWaalsContact C-N 3.29Å; Y1208-C1210 PolarHBondContact O-N 2.98Å
1211L32Very low31.7Very low153 Ų153139.1 Ų139.180%0.80173%0.725SS**THydrogen-bonded Turntrans-121.1-10-166.3-91.8153000117.8
1212F32.4Very low33.1Very low179 Ų179145.5 Ų145.579%0.78574%0.737SS**  trans-145.596.7171.6-99.5-90.5000111.1
1213R30.5Very low34.9Very low241 Ų241142 Ų14291%0.90971%0.708SS**  trans-90.88.3172.5-101.4-171.8-173.9-173.42.7114.1
1214L32Very low37Very low146 Ų146142 Ų14276%0.76470%0.695SS**SBendtrans-122.7112.5179.8-75.6155.1000109.7
1215C28.2Very low39.3Very low118 Ų118138.1 Ų138.180%0.79767%0.672SS**  trans82.896.4175.7-64.80000118.7R1217C1215-R1217 PolarHBondContact O-N 3.34Å
1216P32.4Very low41.5Very low134 Ų134132.7 Ų132.787%0.8765%0.646SS**  trans-86.194.7157.933.6-24.4000108.9
1217R33.4Very low43.7Very low224 Ų224128.3 Ų128.385%0.84563%0.625SS**  trans-117.4116159.1-88.7-175.8171.6175.4-3.2107.8C1215 T1219C1215-R1217 PolarHBondContact O-N 3.34Å; R1217-T1219 VanDerWaalsContact C-N 3.34Å; R1217-T1219 PolarHBondContact O-N 2.98Å
1218K36.1Very low45.8Very low216 Ų216125.4 Ų125.494%0.93960%0.599SS**  trans-54.3103.2159.8-85.2-177.8174.7-178.60106.2M1220K1218-M1220 PolarHBondContact O-N 3.37Å
1219T39.3Very low47.8Very low86 Ų86117.8 Ų117.853%0.52857%0.572SS.*PPolyproline II helixtrans-74.9118.1179.247.90000108.6R1188 R1217R1188-T1219 PolarHBondContact NH2-OG1 3.48Å; R1217-T1219 VanDerWaalsContact C-N 3.34Å; R1217-T1219 PolarHBondContact O-N 2.98Å
1220M33.6Very low50Low148 Ų148113.8 Ų113.873%0.72956%0.556SS**PPolyproline II helixtrans-54.7145.5171.7-77.4175.3159.900111.2K1218K1218-M1220 PolarHBondContact O-N 3.37Å
1221P46.7Very low52.2Low36 Ų36111.8 Ų111.823%0.23454%0.535CS..PPolyproline II helixtrans-58.9140172.322.9-30.5000110.5A1223 M1226 H1227P1221-A1223 VanDerWaalsContact C-N 3.28Å; P1221-A1223 PolarHBondContact O-N 3.44Å; P1221-M1226 HydrophobicContact CB-CB 3.81Å; P1221-M1226 HydrophobicContact CG-CB 4.45Å; P1221-H1227 HydrophobicContact CG-CB 3.95Å
1222K58.2Low54.2Low216 Ų216104.7 Ų104.794%0.93950%0.498SS*.SBendtrans-72.4-15.3-173.2-77.8-174.7175.9-177.60114.8
1223A66.3Low55.9Low16 Ų16100.6 Ų100.613%0.13249%0.492CS..SBendtrans-124.7137.7-174.300000110.6D892 P1221 Y1225 M1226 H1227D892-A1223 HydrophobicContact CB-CB 4.12Å; P1221-A1223 VanDerWaalsContact C-N 3.28Å; P1221-A1223 PolarHBondContact O-N 3.44Å; A1223-Y1225 VanDerWaalsContact C-N 3.32Å; A1223-Y1225 HydrophobicContact CB-CD1 3.71Å; A1223-Y1225 HydrophobicContact CB-CE1 3.36Å; A1223-Y1225 PolarHBondContact O-N 3.2Å; A1223-M1226 HydrophobicContact CB-SD 4.42Å; A1223-M1226 WeakPolarHBondContact O-CB 3.47Å; A1223-M1226 PolarHBondContact O-N 2.96Å; A1223-M1226 VanDerWaalsContact O-N 3.11Å; A1223-H1227 PolarHBondContact O-N 3.02Å
1224R73.8Confident57.9Low117 Ų11796 Ų9644%0.44248%0.484SS..Hα-helixtrans-59.6-38.8-174.2-169.6176179.91587112.9Q864 D892 M1226 H1227 L1228Q864-R1224 VanDerWaalsContact NE2-NH2 3.17Å; Q864-R1224 VanDerWaalsContact OE1-NE 3.09Å; D892-R1224 WeakPolarHBondContact OD2-CB 3.46Å; D892-R1224 PolarHBondContact OD2-N 3.07Å; R1224-M1226 VanDerWaalsContact C-N 3.3Å; R1224-M1226 PolarHBondContact O-N 3.13Å; R1224-H1227 WeakPolarHBondContact O-CB 3.42Å; R1224-H1227 PolarHBondContact O-N 3.49Å; R1224-L1228 HydrophobicContact CG-CD1 3.99Å; R1224-L1228 WeakPolarHBondContact O-CG 3.39Å; R1224-L1228 PolarHBondContact O-N 3.23Å
1225Y74.3Confident59.9Low27 Ų2791.5 Ų91.511%0.10646%0.461CS..Hα-helixtrans-62.3-34.3177.568.5-90.4000113.4V891 D892 Y893 R1013 A1223 A1229V891-Y1225 WeakPolarHBondContact O-CB 2.95Å; V891-Y1225 VanDerWaalsContact O-CD1 3.28Å; V891-Y1225 WeakPolarHBondContact O-CD1 3.41Å; V891-Y1225 PolarHBondContact O-N 2.79Å; V891-Y1225 VanDerWaalsContact O-N 3.08Å; D892-Y1225 HydrophobicContact CB-CD1 4.16Å; D892-Y1225 HydrophobicContact CB-CE1 4.45Å; D892-Y1225 WeakPolarHBondContact O-CE1 3.42Å; Y893-Y1225 HydrophobicContact CD2-CD1 4.42Å; Y893-Y1225 HydrophobicContact CD2-CG 4.31Å; Y893-Y1225 HydrophobicContact CE1-CD2 4.07Å; Y893-Y1225 HydrophobicContact CE1-CE2 4.37Å; Y893-Y1225 HydrophobicContact CE1-CG 4.2Å; Y893-Y1225 HydrophobicContact CE2-CD1 4.38Å; Y893-Y1225 HydrophobicContact CE2-CD2 4.32Å; Y893-Y1225 AromaticContact CE2-CG 3.82Å; Y893-Y1225 HydrophobicContact CE2-CG 3.82Å; Y893-Y1225 AromaticContact CZ-CD2 3.76Å; Y893-Y1225 AromaticContact CZ-CG 3.74Å; R1013-Y1225 PolarHBondContact NH2-OH 3Å; A1223-Y1225 VanDerWaalsContact C-N 3.32Å; A1223-Y1225 HydrophobicContact CB-CD1 3.71Å; A1223-Y1225 HydrophobicContact CB-CE1 3.36Å; A1223-Y1225 PolarHBondContact O-N 3.2Å; Y1225-A1229 VanDerWaalsContact O-CB 3.32Å; Y1225-A1229 WeakPolarHBondContact O-CB 3.05Å; Y1225-A1229 PolarHBondContact O-N 3.42Å
1226M74.1Confident61.9Low28 Ų2891.5 Ų91.514%0.13846%0.46CS..Hα-helixtrans-71.3-37.7176.7-70.3175.7165.300111.3A1192 P1221 A1223 R1224 A1229 Q1230A1192-M1226 HydrophobicContact CB-CE 4.07Å; A1192-M1226 HydrophobicContact CB-SD 4.1Å; P1221-M1226 HydrophobicContact CB-CB 3.81Å; P1221-M1226 HydrophobicContact CG-CB 4.45Å; A1223-M1226 HydrophobicContact CB-SD 4.42Å; A1223-M1226 WeakPolarHBondContact O-CB 3.47Å; A1223-M1226 PolarHBondContact O-N 2.96Å; A1223-M1226 VanDerWaalsContact O-N 3.11Å; R1224-M1226 VanDerWaalsContact C-N 3.3Å; R1224-M1226 PolarHBondContact O-N 3.13Å; M1226-A1229 PolarHBondContact O-N 3.01Å; M1226-Q1230 WeakPolarHBondContact O-CG 3.39Å; M1226-Q1230 PolarHBondContact O-N 3.07Å; M1226-Q1230 VanDerWaalsContact O-N 3.07Å
1227H74.4Confident63.6Low79 Ų7991 Ų9137%0.36645%0.45SS..Hα-helixtrans-63.1-48.3174.3-172.9-85.6000111P1221 A1223 R1224 A1229 Q1230 E1231P1221-H1227 HydrophobicContact CG-CB 3.95Å; A1223-H1227 PolarHBondContact O-N 3.02Å; R1224-H1227 WeakPolarHBondContact O-CB 3.42Å; R1224-H1227 PolarHBondContact O-N 3.49Å; H1227-A1229 VanDerWaalsContact C-N 3.34Å; H1227-A1229 PolarHBondContact O-N 3.45Å; H1227-Q1230 PolarHBondContact O-N 3.16Å; H1227-E1231 PolarHBondContact O-N 3.4Å
1228L73.9Confident65.4Low11 Ų1181.7 Ų81.76%0.05842%0.415CS..Hα-helixtrans-62.9-39177.5-73.8163.3000112Q864 K865 V891 R1224 Q1230 E1231 L1232Q864-L1228 HydrophobicContact CB-CD1 4.1Å; K865-L1228 HydrophobicContact CG-CD2 4.37Å; V891-L1228 HydrophobicContact CG1-CD1 3.64Å; R1224-L1228 HydrophobicContact CG-CD1 3.99Å; R1224-L1228 WeakPolarHBondContact O-CG 3.39Å; R1224-L1228 PolarHBondContact O-N 3.23Å; L1228-Q1230 VanDerWaalsContact C-N 3.35Å; L1228-Q1230 PolarHBondContact O-N 3.27Å; L1228-E1231 PolarHBondContact O-N 3.17Å; L1228-L1232 WeakPolarHBondContact O-CB 3.2Å; L1228-L1232 VanDerWaalsContact O-CG 3.27Å; L1228-L1232 WeakPolarHBondContact O-CG 3.4Å; L1228-L1232 PolarHBondContact O-N 3.42Å
1229A73.6Confident67.2Low13 Ų1373.8 Ų73.811%0.10739%0.385CS..Hα-helixtrans-60.6-43.4174.100000112.3L868 P1194 Y1225 M1226 H1227 L1232 S1233L868-A1229 HydrophobicContact CD2-CB 3.75Å; P1194-A1229 HydrophobicContact CB-CB 4.25Å; Y1225-A1229 VanDerWaalsContact O-CB 3.32Å; Y1225-A1229 WeakPolarHBondContact O-CB 3.05Å; Y1225-A1229 PolarHBondContact O-N 3.42Å; M1226-A1229 PolarHBondContact O-N 3.01Å; H1227-A1229 VanDerWaalsContact C-N 3.34Å; H1227-A1229 PolarHBondContact O-N 3.45Å; A1229-L1232 PolarHBondContact O-N 3.04Å; A1229-S1233 WeakPolarHBondContact O-CB 3.43Å; A1229-S1233 PolarHBondContact O-N 3.36Å
1230Q74.8Confident68.9Low82 Ų8270.1 Ų70.138%0.38336%0.363SS..Hα-helixtrans-66.2-43.1176.4-76.4-178.8-13.900111.6M1226 H1227 L1228 L1232 S1233 L1234M1226-Q1230 WeakPolarHBondContact O-CG 3.39Å; M1226-Q1230 PolarHBondContact O-N 3.07Å; M1226-Q1230 VanDerWaalsContact O-N 3.07Å; H1227-Q1230 PolarHBondContact O-N 3.16Å; L1228-Q1230 VanDerWaalsContact C-N 3.35Å; L1228-Q1230 PolarHBondContact O-N 3.27Å; Q1230-L1232 VanDerWaalsContact C-N 3.34Å; Q1230-L1232 PolarHBondContact O-N 2.93Å; Q1230-S1233 WeakPolarHBondContact CA-OG 3.18Å; Q1230-S1233 PolarHBondContact O-N 3.11Å; Q1230-S1233 PolarHBondContact O-OG 3.04Å; Q1230-L1234 WeakPolarHBondContact O-CG 3.31Å; Q1230-L1234 PolarHBondContact O-N 3.28Å
1231E75.6Confident70.9Confident78 Ų7870.2 Ų70.236%0.36436%0.359SS..Hα-helixtrans-57.5-47.2175.4-168.7-171.5144.400111.2K865 H1227 L1228 S1233 L1234 D1235K865-E1231 VanDerWaalsContact CE-OE1 3.3Å; K865-E1231 WeakPolarHBondContact CE-OE1 3.21Å; K865-E1231 IonicContact NZ-OE1 2.86Å; K865-E1231 PolarHBondContact NZ-OE1 2.72Å; H1227-E1231 PolarHBondContact O-N 3.4Å; L1228-E1231 PolarHBondContact O-N 3.17Å; E1231-S1233 VanDerWaalsContact C-N 3.35Å; E1231-S1233 PolarHBondContact O-N 3.17Å; E1231-L1234 PolarHBondContact O-N 3.48Å; E1231-D1235 PolarHBondContact O-N 3.07Å; E1231-D1235 VanDerWaalsContact O-N 3.17Å
1232L75Confident72Confident4 Ų472 Ų722%0.02137%0.371CS..Hα-helixtrans-66.1-33.5177.8-72176000113.3K865 L868 L1228 A1229 Q1230 L1234 D1235 W1238K865-L1232 HydrophobicContact CB-CD1 4.17Å; K865-L1232 HydrophobicContact CB-CD2 4.13Å; K865-L1232 HydrophobicContact CD-CD2 3.77Å; K865-L1232 HydrophobicContact CG-CD1 4.37Å; K865-L1232 HydrophobicContact CG-CD2 3.95Å; K865-L1232 HydrophobicContact CG-CG 4.37Å; L868-L1232 HydrophobicContact CD2-CD1 3.68Å; L1228-L1232 WeakPolarHBondContact O-CB 3.2Å; L1228-L1232 VanDerWaalsContact O-CG 3.27Å; L1228-L1232 WeakPolarHBondContact O-CG 3.4Å; L1228-L1232 PolarHBondContact O-N 3.42Å; A1229-L1232 PolarHBondContact O-N 3.04Å; Q1230-L1232 VanDerWaalsContact C-N 3.34Å; Q1230-L1232 PolarHBondContact O-N 2.93Å; L1232-L1234 PolarHBondContact O-N 3Å; L1232-D1235 PolarHBondContact O-N 3.07Å; L1232-W1238 HydrophobicContact CD2-CB 4.43Å; L1232-W1238 HydrophobicContact CD2-CD2 3.7Å; L1232-W1238 HydrophobicContact CD2-CE3 4.33Å; L1232-W1238 HydrophobicContact CD2-CG 3.74Å; L1232-W1238 HydrophobicContact CD2-CZ2 4.28Å
1233S67.4Low72.3Confident93 Ų9367.4 Ų67.465%0.6536%0.361SS*.Hα-helixtrans-69.9-20.8176.472.30000113.7A1229 Q1230 E1231A1229-S1233 WeakPolarHBondContact O-CB 3.43Å; A1229-S1233 PolarHBondContact O-N 3.36Å; Q1230-S1233 WeakPolarHBondContact CA-OG 3.18Å; Q1230-S1233 PolarHBondContact O-N 3.11Å; Q1230-S1233 PolarHBondContact O-OG 3.04Å; E1231-S1233 VanDerWaalsContact C-N 3.35Å; E1231-S1233 PolarHBondContact O-N 3.17Å
1234L73.8Confident72.9Confident144 Ų14469.1 Ų69.175%0.75437%0.37SS*.Hα-helixtrans-97.8-8.8178.7-66.4170.7000112.3Q1230 E1231 L1232 P1236Q1230-L1234 WeakPolarHBondContact O-CG 3.31Å; Q1230-L1234 PolarHBondContact O-N 3.28Å; E1231-L1234 PolarHBondContact O-N 3.48Å; L1232-L1234 PolarHBondContact O-N 3Å; L1234-P1236 WeakPolarHBondContact O-CD 3.38Å
1235D73.8Confident73.1Confident51 Ų5167 Ų6727%0.27337%0.37SS..  trans-82.6110.7-179.1-167.9-17.8000109.9E1231 L1232 D1237 W1238E1231-D1235 PolarHBondContact O-N 3.07Å; E1231-D1235 VanDerWaalsContact O-N 3.17Å; L1232-D1235 PolarHBondContact O-N 3.07Å; D1235-D1237 PolarHBondContact O-N 3.49Å; D1235-D1237 PolarHBondContact OD1-N 3.39Å; D1235-D1237 VanDerWaalsContact OD1-N 3.08Å; D1235-W1238 HydrophobicContact CB-CB 3.95Å; D1235-W1238 PolarHBondContact O-N 3.19Å
1236P68.8Low73.4Confident119 Ų11968 Ų6877%0.77338%0.379SS*.THydrogen-bonded Turntrans-68.3-16.6-178.130-35.9000113.1L1234 W1238L1234-P1236 WeakPolarHBondContact O-CD 3.38Å; P1236-W1238 VanDerWaalsContact C-N 3.31Å
1237D68.6Low73.7Confident124 Ų12472 Ų7266%0.66340%0.397SS*.THydrogen-bonded Turntrans-91.45.3178.7-65.8-39000112.4D1235D1235-D1237 PolarHBondContact O-N 3.49Å; D1235-D1237 PolarHBondContact OD1-N 3.39Å; D1235-D1237 VanDerWaalsContact OD1-N 3.08Å
1238W71.2Confident73.8Confident28 Ų2868.9 Ų68.911%0.10639%0.385CS..  trans-121.4133.3-179.3-159.2-95.9000112.6Y843 F845 M862 K865 L866 L1232 D1235 P1236Y843-W1238 AromaticContact CE2-NE1 3.79Å; Y843-W1238 AromaticContact CZ-CD1 3.93Å; Y843-W1238 AromaticContact CZ-NE1 3.71Å; Y843-W1238 PolarHBondContact OH-NE1 2.88Å; F845-W1238 HydrophobicContact CE2-CH2 4.12Å; F845-W1238 AromaticContact CE2-CZ2 3.39Å; F845-W1238 HydrophobicContact CE2-CZ2 3.39Å; F845-W1238 AromaticContact CZ-CH2 3.84Å; F845-W1238 HydrophobicContact CZ-CH2 3.84Å; F845-W1238 AromaticContact CZ-CZ2 3.45Å; F845-W1238 HydrophobicContact CZ-CZ2 3.45Å; F845-W1238 VanDerWaalsContact CZ-CZ2 3.45Å; M862-W1238 HydrophobicContact CE-CH2 4.26Å; M862-W1238 HydrophobicContact CE-CZ3 3.79Å; K865-W1238 HydrophobicContact CB-CH2 4.49Å; L866-W1238 HydrophobicContact CD2-CH2 3.93Å; L866-W1238 HydrophobicContact CD2-CZ2 4.44Å; L866-W1238 HydrophobicContact CG-CH2 4.38Å; L1232-W1238 HydrophobicContact CD2-CB 4.43Å; L1232-W1238 HydrophobicContact CD2-CD2 3.7Å; L1232-W1238 HydrophobicContact CD2-CE3 4.33Å; L1232-W1238 HydrophobicContact CD2-CG 3.74Å; L1232-W1238 HydrophobicContact CD2-CZ2 4.28Å; D1235-W1238 HydrophobicContact CB-CB 3.95Å; D1235-W1238 PolarHBondContact O-N 3.19Å; P1236-W1238 VanDerWaalsContact C-N 3.31Å
1239P73.5Confident73.6Confident50 Ų5077.3 Ų77.333%0.32542%0.421SS..SBendcis-68.7153.9-2.830-35.6000112.7I792 Y843 K1241I792-P1239 HydrophobicContact CD1-CB 4.02Å; Y843-P1239 HydrophobicContact CD1-CB 3.95Å; Y843-P1239 HydrophobicContact CD1-CG 3.75Å; Y843-P1239 HydrophobicContact CD2-CB 3.99Å; Y843-P1239 HydrophobicContact CE1-CB 3.94Å; Y843-P1239 HydrophobicContact CE1-CG 3.83Å; Y843-P1239 HydrophobicContact CE2-CB 3.99Å; Y843-P1239 HydrophobicContact CG-CB 3.99Å; Y843-P1239 HydrophobicContact CG-CG 4.2Å; P1239-K1241 PolarHBondContact O-N 3.47Å
1240P76.8Confident72.7Confident8 Ų882.5 Ų82.55%0.05245%0.454CS..PPolyproline II helixtrans-62.6137.6-177.423-31000111.7W809 Y811 F845W809-P1240 HydrophobicContact CB-CB 4.41Å; W809-P1240 HydrophobicContact CB-CG 4.4Å; W809-P1240 HydrophobicContact CD2-CB 3.85Å; W809-P1240 HydrophobicContact CD2-CG 3.45Å; W809-P1240 VanDerWaalsContact CD2-CG 3.45Å; W809-P1240 HydrophobicContact CE3-CG 3.72Å; W809-P1240 HydrophobicContact CG-CB 3.7Å; W809-P1240 HydrophobicContact CG-CG 3.75Å; W809-P1240 HydrophobicContact CH2-CG 4.49Å; W809-P1240 HydrophobicContact CZ2-CG 4.26Å; W809-P1240 HydrophobicContact CZ3-CG 4.22Å; Y811-P1240 PolarHBondContact OH-O 3Å; F845-P1240 HydrophobicContact CE1-CG 4.21Å; F845-P1240 HydrophobicContact CZ-CG 4.33Å
1241K74.6Confident71.4Confident151 Ų15186.5 Ų86.566%0.65747%0.465SS*.PPolyproline II helixtrans-63.1149.1179-67.4175.9-175.1170.60110.9P1239 T1243 T1244P1239-K1241 PolarHBondContact O-N 3.47Å; K1241-T1243 PolarHBondContact O-N 3.41Å; K1241-T1244 HydrophobicContact CB-CG2 3.71Å; K1241-T1244 WeakPolarHBondContact O-CB 3.42Å; K1241-T1244 WeakPolarHBondContact O-CG2 3.26Å; K1241-T1244 PolarHBondContact O-N 2.91Å; K1241-T1244 PolarHBondContact O-OG1 3.22Å
1242P69.1Low69.8Low74 Ų7488.7 Ų88.748%0.48149%0.486SS..THydrogen-bonded Turntrans-55.4138.8179.721.2-32.3000111Y811 T1244Y811-P1242 HydrophobicContact CD2-CB 3.72Å; Y811-P1242 HydrophobicContact CE2-CB 3.84Å; Y811-P1242 HydrophobicContact CE2-CG 4.49Å; Y811-P1242 HydrophobicContact CG-CB 4.41Å; P1242-T1244 PolarHBondContact O-N 3.39Å
1243T66.2Low67.9Low119 Ų11997.7 Ų97.773%0.7353%0.528SS*.THydrogen-bonded Turntrans63.113.2177.962.30000116.1W809 K1241W809-T1243 WeakPolarHBondContact O-CA 3.47Å; W809-T1243 PolarHBondContact O-N 2.98Å; K1241-T1243 PolarHBondContact O-N 3.41Å
1244T77.4Confident66.5Low52 Ų52101.7 Ų101.732%0.31954%0.542SS..  trans-74.9158.8170.3560000111.6W809 K1241 P1242W809-T1244 VanDerWaalsContact CD1-O 3.24Å; W809-T1244 VanDerWaalsContact CD1-OG1 3.3Å; W809-T1244 PolarHBondContact N-O 2.98Å; K1241-T1244 HydrophobicContact CB-CG2 3.71Å; K1241-T1244 WeakPolarHBondContact O-CB 3.42Å; K1241-T1244 WeakPolarHBondContact O-CG2 3.26Å; K1241-T1244 PolarHBondContact O-N 2.91Å; K1241-T1244 PolarHBondContact O-OG1 3.22Å; P1242-T1244 PolarHBondContact O-N 3.39Å
1245T78.9Confident64.6Low72 Ų7298.2 Ų98.244%0.44254%0.542SS..EExtended strand (participates in β ladder)trans-125.9135.1177.8-52.70000109.7K806 I807K806-T1245 HydrophobicContact CB-CG2 3.71Å; K806-T1245 HydrophobicContact CD-CG2 3.94Å; K806-T1245 HydrophobicContact CG-CG2 4.33Å; I807-T1245 CarbonylContact O-C 3.08Å; I807-T1245 VanDerWaalsContact O-CA 3.24Å; I807-T1245 WeakPolarHBondContact O-CA 3.49Å
1246T80.2Confident62.4Low47 Ų47101.6 Ų101.629%0.28857%0.569SS.*EExtended strand (participates in β ladder)trans-112.6123.9177.7-50.80000109.4K806 I807 W809K806-T1246 CarbonylContact C-O 3.54Å; K806-T1246 WeakPolarHBondContact CA-O 3.49Å; I807-T1246 PolarHBondContact N-O 2.9Å; I807-T1246 PolarHBondContact O-N 2.99Å; W809-T1246 PolarHBondContact NE1-OG1 3.24Å
1247E80.6Confident60.8Low113 Ų113101.7 Ų101.753%0.52857%0.567SS.*EExtended strand (participates in β ladder)trans-98146.9-178-55.7-167.6158.600112K806K806-E1247 HydrophobicContact CD-CG 3.98Å; K806-E1247 WeakPolarHBondContact CE-OE1 3.31Å; K806-E1247 HydrophobicContact CG-CG 4.05Å; K806-E1247 IonicContact NZ-OE1 3.19Å; K806-E1247 PolarHBondContact NZ-OE1 3.22Å
1248A75.5Confident59.1Low13 Ų13105 Ų10511%0.10757%0.572CS.*PPolyproline II helixtrans-68141.617700000111.2A804 A805 F859A804-A1248 HydrophobicContact CB-CB 4.29Å; A805-A1248 HydrophobicContact CB-CB 4.19Å; A805-A1248 PolarHBondContact O-N 3.23Å; F859-A1248 HydrophobicContact CD1-CB 4.33Å; F859-A1248 HydrophobicContact CE1-CB 3.67Å; F859-A1248 HydrophobicContact CE2-CB 3.97Å; F859-A1248 HydrophobicContact CZ-CB 3.48Å; F859-A1248 VanDerWaalsContact CZ-CB 3.48Å; F859-A1248 VanDerWaalsContact CZ-N 3.34Å
1249K71.1Confident56.9Low188 Ų188111.3 Ų111.382%0.81761%0.607SS**PPolyproline II helixtrans-64.7136.4170.2-68.7-179.7-178.1173.60108.9R1251K1249-R1251 PolarHBondContact O-N 3.5Å
1250P53.9Low54.8Low122 Ų122116 Ų11679%0.79263%0.628SS**PPolyproline II helixtrans-59.8127.6175.722.9-30.8000109.6
1251R48.5Very low52.5Low167 Ų167122.2 Ų122.263%0.6366%0.66SS**PPolyproline II helixtrans-62.2133.8173.8-78.4-176.7176.9167.42108.1E857 K1249 E1253E857-R1251 PolarHBondContact O-NH2 2.91Å; K1249-R1251 PolarHBondContact O-N 3.5Å; R1251-E1253 PolarHBondContact O-N 3.27Å
1252P41.5Very low50.3Low124 Ų124120.1 Ų120.181%0.80566%0.664SS**PPolyproline II helixtrans-60.8125.4169.423.7-29.5000108.6N1254P1252-N1254 PolarHBondContact O-N 3.41Å
1253E35Very low48.3Very low193 Ų193124.8 Ų124.890%0.90268%0.679SS**PPolyproline II helixtrans-57.5134.5176.2-73.1-177.4156.500110R1251 G1255R1251-E1253 PolarHBondContact O-N 3.27Å; E1253-G1255 PolarHBondContact O-N 3.25Å
1254N37.2Very low46.7Very low176 Ų176127.8 Ų127.894%0.94171%0.705SS**SBendtrans-21.3112-179.9-76.4-27.7000115.5P1252P1252-N1254 PolarHBondContact O-N 3.41Å
1255G35.3Very low45.2Very low72 Ų72131.6 Ų131.674%0.74272%0.724SS**  trans167.726.6168.800000120.6E1253E1253-G1255 PolarHBondContact O-N 3.25Å
1256S26.1Very low43.4Very low122 Ų122134.7 Ų134.785%0.85374%0.739SS**  trans-168130.2151.252.90000112.1
1257V35.4Very low41.3Very low120 Ų120139.6 Ų139.673%0.72776%0.764SS**  trans-92.6136.7177.6164.70000107.3
1258Y33Very low39Very low193 Ų193141.2 Ų141.276%0.75778%0.778SS**  trans81.4100.4177.6-58.8-75.2000117.4
1259D24.4Very low36.8Very low161 Ų161149.2 Ų149.286%0.86182%0.82SS**  -148.285.6125.8-97.1-26.5000108.5I1261D1259-I1261 PolarHBondContact O-N 3.49Å
1260I30.1Very low34.5Very low148 Ų148146.6 Ų146.676%0.75982%0.82SS**  trans-70.6110160.4-67.6172.3000104.9S1262I1260-S1262 PolarHBondContact O-N 3.31Å
1261I29.1Very low33.1Very low140 Ų140148.4 Ų148.472%0.71882%0.822SS**  trans-53.597.8178.1-63.5170.3000109D1259 H1263D1259-I1261 PolarHBondContact O-N 3.49Å; I1261-H1263 HydrophobicContact CG2-CB 4.4Å; I1261-H1263 PolarHBondContact O-N 3.4Å
1262S27.8Very low31.9Very low106 Ų106146.9 Ų146.974%0.74184%0.837SS**  trans-75.594.4156.554.40000107.7I1260I1260-S1262 PolarHBondContact O-N 3.31Å
1263H28.3Very low31.1Very low172 Ų172148.8 Ų148.880%0.79684%0.84SS**  trans-118.2108.2151.4-81.4-56.4000108.4I1261I1261-H1263 HydrophobicContact CG2-CB 4.4Å; I1261-H1263 PolarHBondContact O-N 3.4Å
1264S31.6Very low30.7Very low183 Ų183144.8 Ų144.8100%1.2883%0.834SS**  trans-43.20177.855.60000116.7

Retrieved 1,264 of 1,264 residues in 1516.3 ms (Link to these results)

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