A0A087YL30_POEFO Loading...

Serine/threonine-protein kinase CHK1

AlphaFold DB , UniProt , Accession A0A087YL30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 455 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
1M48.8Very low79.7Confident230 Ų23080.4 Ų80.4100%1.13343%0.427SS*.  0129.80-83.2179-104.500107.8
2A65.4Low79.4Confident54 Ų5476 Ų7645%0.44641%0.406SS..  trans-77.5137.2174.200000109.2D10 V11A2-D10 HydrophobicContact CB-CB 3.97Å; A2-V11 CarbonylContact C-O 3.54Å; A2-V11 WeakPolarHBondContact CA-O 3.22Å
3I80.1Confident78.9Confident110 Ų11073.4 Ų73.456%0.56439%0.39SS*.EExtended strand (participates in β ladder)trans-111.4124.1-176.9-56.4172.1000107.7F5 D10 V11I3-F5 PolarHBondContact O-N 3.13Å; I3-D10 CarbonylContact O-C 3.5Å; I3-D10 WeakPolarHBondContact O-CA 3.39Å; I3-V11 HydrophobicContact CB-CB 4.31Å; I3-V11 PolarHBondContact N-O 3.39Å; I3-V11 WeakPolarHBondContact O-CB 3.47Å; I3-V11 PolarHBondContact O-N 3.43Å
4P84.4Confident78.6Confident97 Ų9770.9 Ų70.963%0.6338%0.379SS*.EExtended strand (participates in β ladder)trans-54.5130.2177.8-26.735.2000112.3D10P4-D10 WeakPolarHBondContact CA-OD1 3.17Å
5F85.1Confident78Confident36 Ų3666.5 Ų66.516%0.15836%0.355CS..EExtended strand (participates in β ladder)trans-101.4-59.6177.3-177.7-113.4000111.6I3 W9 V11 L26 Y81 F83I3-F5 PolarHBondContact O-N 3.13Å; F5-W9 WeakPolarHBondContact CA-O 3.48Å; F5-W9 WeakPolarHBondContact CB-O 3.28Å; F5-W9 PolarHBondContact N-O 3.41Å; F5-V11 HydrophobicContact CB-CG2 3.78Å; F5-V11 HydrophobicContact CD2-CG2 3.99Å; F5-V11 HydrophobicContact CG-CG2 4.21Å; F5-L26 HydrophobicContact CB-CD2 3.9Å; F5-L26 HydrophobicContact CD1-CD1 3.54Å; F5-L26 HydrophobicContact CD1-CD2 4Å; F5-L26 HydrophobicContact CD1-CG 4.43Å; F5-L26 HydrophobicContact CD2-CD2 4.3Å; F5-L26 HydrophobicContact CE1-CD1 3.72Å; F5-L26 HydrophobicContact CG-CD1 4.21Å; F5-L26 HydrophobicContact CG-CD2 3.79Å; F5-L26 HydrophobicContact CZ-CD1 4.47Å; F5-Y81 HydrophobicContact CE2-CD1 4.07Å; F5-Y81 AromaticContact CE2-CE1 3.78Å; F5-Y81 HydrophobicContact CE2-CE1 3.78Å; F5-Y81 AromaticContact CZ-CD1 3.87Å; F5-Y81 HydrophobicContact CZ-CD1 3.87Å; F5-Y81 HydrophobicContact CZ-CE1 4.01Å; F5-Y81 HydrophobicContact CZ-CG 4.46Å; F5-F83 AromaticContact CE1-CE1 3.82Å; F5-F83 HydrophobicContact CE1-CE1 3.82Å; F5-F83 AromaticContact CE1-CZ 3.93Å; F5-F83 HydrophobicContact CE1-CZ 3.93Å; F5-F83 HydrophobicContact CZ-CE1 4.38Å; F5-F83 HydrophobicContact CZ-CZ 4.27Å
6V85.7Confident77.3Confident64 Ų6462.7 Ų62.739%0.38834%0.337SS..EExtended strand (participates in β ladder)trans-145.5177.4170.8-65.30000108.3D8 W9 R74V6-D8 PolarHBondContact O-N 3.5Å; V6-D8 VanDerWaalsContact O-N 3.13Å; V6-W9 HydrophobicContact CG2-CB 3.94Å; V6-W9 HydrophobicContact CG2-CG 4.29Å; V6-W9 PolarHBondContact N-O 2.94Å; V6-W9 PolarHBondContact O-N 3.08Å; V6-R74 VanDerWaalsContact CG1-NH1 3.27Å
7Q84.8Confident76.6Confident165 Ų16566.6 Ų66.677%0.77135%0.353SS*.THydrogen-bonded Turntrans-44.3123.4178.6-178.5175.3-1.400111.6W9Q7-W9 VanDerWaalsContact O-CD1 3.29Å; Q7-W9 PolarHBondContact O-N 3.17Å
8D86Confident75.6Confident34 Ų3464.1 Ų64.118%0.18235%0.345CS..THydrogen-bonded Turntrans63.7-2.8-179.2-56.4-45.5000117.5V6 N28 R29 Q30V6-D8 PolarHBondContact O-N 3.5Å; V6-D8 VanDerWaalsContact O-N 3.13Å; D8-N28 CarbonylContact O-C 3.42Å; D8-N28 VanDerWaalsContact O-CA 3.23Å; D8-N28 WeakPolarHBondContact O-CA 3.29Å; D8-R29 VanDerWaalsContact CA-CZ 3.45Å; D8-R29 PolarHBondContact O-N 2.87Å; D8-R29 IonicContact OD1-CZ 3.08Å; D8-R29 IonicContact OD1-NE 3.48Å; D8-R29 IonicContact OD1-NH2 3.66Å; D8-R29 PolarHBondContact OD1-NH2 3.41Å; D8-R29 VanDerWaalsContact OD1-NH2 3.12Å; D8-Q30 HydrophobicContact CB-CG 4.42Å; D8-Q30 PolarHBondContact OD1-NE2 2.84Å; D8-Q30 VanDerWaalsContact OD1-NE2 3.17Å; D8-Q30 PolarHBondContact OD2-NE2 3.26Å; D8-Q30 VanDerWaalsContact OD2-NE2 3.13Å
9W87.3Confident74.4Confident54 Ų5462.9 Ų62.921%0.20535%0.345CS..EExtended strand (participates in β ladder)trans-111.4126.4177.4-69.886.9000111.8F5 V6 Q7 L26 V27 N28 E33 V35F5-W9 WeakPolarHBondContact CA-O 3.48Å; F5-W9 WeakPolarHBondContact CB-O 3.28Å; F5-W9 PolarHBondContact N-O 3.41Å; V6-W9 HydrophobicContact CG2-CB 3.94Å; V6-W9 HydrophobicContact CG2-CG 4.29Å; V6-W9 PolarHBondContact N-O 2.94Å; V6-W9 PolarHBondContact O-N 3.08Å; Q7-W9 VanDerWaalsContact O-CD1 3.29Å; Q7-W9 PolarHBondContact O-N 3.17Å; W9-L26 HydrophobicContact CE3-CB 3.77Å; W9-L26 HydrophobicContact CZ3-CB 4.31Å; W9-V27 WeakPolarHBondContact CA-O 3.48Å; W9-N28 HydrophobicContact CD2-CB 3.95Å; W9-N28 HydrophobicContact CE3-CB 4.02Å; W9-N28 HydrophobicContact CH2-CB 3.9Å; W9-N28 HydrophobicContact CZ2-CB 3.81Å; W9-N28 HydrophobicContact CZ3-CB 4Å; W9-N28 PolarHBondContact NE1-ND2 2.88Å; W9-E33 HydrophobicContact CH2-CB 3.92Å; W9-E33 VanDerWaalsContact CZ3-O 3.25Å; W9-E33 WeakPolarHBondContact CZ3-O 3.22Å; W9-V35 HydrophobicContact CE3-CG2 4.18Å; W9-V35 HydrophobicContact CH2-CG1 3.89Å; W9-V35 HydrophobicContact CH2-CG2 4.2Å; W9-V35 HydrophobicContact CZ3-CB 4.39Å; W9-V35 HydrophobicContact CZ3-CG1 4.07Å; W9-V35 HydrophobicContact CZ3-CG2 3.67Å
10D84.3Confident73.5Confident24 Ų2464.3 Ų64.313%0.12835%0.345CS..EExtended strand (participates in β ladder)trans-111139.4175.4-61.8-28.3000111.2A2 I3 P4 V12 L26 V27 R29A2-D10 HydrophobicContact CB-CB 3.97Å; I3-D10 CarbonylContact O-C 3.5Å; I3-D10 WeakPolarHBondContact O-CA 3.39Å; P4-D10 WeakPolarHBondContact CA-OD1 3.17Å; D10-V12 PolarHBondContact O-N 2.85Å; D10-L26 VanDerWaalsContact O-CA 3.26Å; D10-L26 WeakPolarHBondContact O-CA 3.37Å; D10-V27 PolarHBondContact N-O 3.18Å; D10-V27 PolarHBondContact O-N 2.69Å; D10-R29 IonicContact OD1-CZ 3.38Å; D10-R29 IonicContact OD1-NH1 3.58Å; D10-R29 PolarHBondContact OD1-NH1 2.99Å; D10-R29 WeakPolarHBondContact OD2-CD 3.49Å; D10-R29 WeakPolarHBondContact OD2-CG 3.26Å; D10-R29 IonicContact OD2-NH1 2.8Å
11V84.4Confident73.4Confident16 Ų1662.3 Ų62.310%0.09734%0.34CS..EExtended strand (participates in β ladder)trans-67.7114.8160.6-172.40000108.6A2 I3 F5 R24 L26A2-V11 CarbonylContact C-O 3.54Å; A2-V11 WeakPolarHBondContact CA-O 3.22Å; I3-V11 HydrophobicContact CB-CB 4.31Å; I3-V11 PolarHBondContact N-O 3.39Å; I3-V11 WeakPolarHBondContact O-CB 3.47Å; I3-V11 PolarHBondContact O-N 3.43Å; F5-V11 HydrophobicContact CB-CG2 3.78Å; F5-V11 HydrophobicContact CD2-CG2 3.99Å; F5-V11 HydrophobicContact CG-CG2 4.21Å; V11-R24 HydrophobicContact CG1-CB 4.06Å; V11-R24 HydrophobicContact CG1-CG 4.4Å; V11-L26 HydrophobicContact CB-CD2 4.23Å; V11-L26 HydrophobicContact CG2-CD2 3.72Å
12V77.1Confident75Confident28 Ų2853.5 Ų53.517%0.1730%0.297CS..EExtended strand (participates in β ladder)trans-96.8-35.5-177.8174.40000112D10 L25 V27 K328D10-V12 PolarHBondContact O-N 2.85Å; V12-L25 HydrophobicContact CB-CD2 4.2Å; V12-L25 HydrophobicContact CB-CG 4.25Å; V12-L25 HydrophobicContact CG1-CD2 4.17Å; V12-L25 PolarHBondContact N-O 3.22Å; V12-V27 HydrophobicContact CB-CG2 4.3Å; V12-V27 HydrophobicContact CG2-CB 3.75Å; V12-V27 HydrophobicContact CG2-CG2 3.6Å; V12-K328 HydrophobicContact CG1-CD 3.97Å; V12-K328 VanDerWaalsContact CG1-NZ 3.29Å; V12-K328 PolarHBondContact O-NZ 3.02Å
13Q72.6Confident75.9Confident42 Ų4251.1 Ų51.120%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-163.8154177-155.6-169.7-98.400111.9L15 R24 L25 K328Q13-L15 PolarHBondContact O-N 3.29Å; Q13-R24 CarbonylContact O-C 3.59Å; Q13-R24 WeakPolarHBondContact O-CA 3.42Å; Q13-R24 WeakPolarHBondContact O-CB 3.14Å; Q13-L25 PolarHBondContact O-N 3.1Å; Q13-K328 HydrophobicContact CB-CD 3.49Å; Q13-K328 VanDerWaalsContact CB-CD 3.49Å; Q13-K328 HydrophobicContact CB-CG 4.1Å; Q13-K328 HydrophobicContact CG-CD 3.94Å; Q13-K328 VanDerWaalsContact CG-CE 3.44Å; Q13-K328 HydrophobicContact CG-CG 4.18Å; Q13-K328 VanDerWaalsContact OE1-CD 3.26Å
14T74.4Confident76.1Confident38 Ų3849.1 Ų49.123%0.23326%0.262CS..EExtended strand (participates in β ladder)trans-70.4116.1153.2-54.90000109.4G16 E17 E22 V23T14-G16 WeakPolarHBondContact CG2-O 3.33Å; T14-E17 HydrophobicContact CG2-CG 3.88Å; T14-E22 HydrophobicContact CG2-CB 4.09Å; T14-E22 VanDerWaalsContact CG2-OE2 3.32Å; T14-E22 WeakPolarHBondContact CG2-OE2 3.16Å; T14-E22 PolarHBondContact OG1-OE2 3.12Å; T14-V23 CarbonylContact C-O 3.55Å
15L70.1Confident76.2Confident5 Ų544.5 Ų44.53%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-69.9-84.6165.4-57171.7000106Q13 V23 L25 A36 Y86 Q325 P326Q13-L15 PolarHBondContact O-N 3.29Å; L15-V23 CarbonylContact C-O 3.46Å; L15-V23 VanDerWaalsContact CA-O 3.3Å; L15-V23 WeakPolarHBondContact CA-O 3.45Å; L15-V23 HydrophobicContact CB-CB 4.33Å; L15-V23 HydrophobicContact CB-CG1 4.25Å; L15-V23 WeakPolarHBondContact CB-O 3.33Å; L15-V23 HydrophobicContact CD1-CG1 4.16Å; L15-V23 PolarHBondContact N-O 3.03Å; L15-L25 HydrophobicContact CD1-CB 4.04Å; L15-L25 HydrophobicContact CD2-CB 3.97Å; L15-L25 HydrophobicContact CG-CB 3.97Å; L15-A36 HydrophobicContact CD1-CB 3.99Å; L15-Y86 HydrophobicContact CD1-CD2 3.92Å; L15-Y86 HydrophobicContact CD1-CE2 3.89Å; L15-Y86 HydrophobicContact CD2-CE2 3.9Å; L15-Q325 HydrophobicContact CB-CB 4.42Å; L15-Q325 HydrophobicContact CD1-CB 4.2Å; L15-Q325 HydrophobicContact CD1-CG 4.09Å; L15-P326 HydrophobicContact CB-CG 4.37Å; L15-P326 WeakPolarHBondContact CD2-O 3.4Å; L15-P326 WeakPolarHBondContact O-CD 3.44Å; L15-P326 WeakPolarHBondContact O-CG 3.36Å
16G66.1Low76.3Confident6 Ų642.9 Ų42.96%0.06222%0.224CC..EExtended strand (participates in β ladder)trans-110.3159.5-172.800000113.6T14 E22 V23 S324T14-G16 WeakPolarHBondContact CG2-O 3.33Å; G16-E22 CarbonylContact O-C 3.59Å; G16-E22 VanDerWaalsContact O-CA 3.28Å; G16-E22 WeakPolarHBondContact O-CA 3.25Å; G16-E22 WeakPolarHBondContact O-CB 3.45Å; G16-V23 PolarHBondContact N-O 2.94Å; G16-V23 VanDerWaalsContact N-O 3.08Å; G16-V23 PolarHBondContact O-N 3.26Å; G16-S324 WeakPolarHBondContact CA-O 3.42Å
17E64.9Low76.3Confident130 Ų13040.9 Ų40.961%0.60721%0.212SC*.EExtended strand (participates in β ladder)trans-125.5133.1170.7-68.4175.3-166.900108.8T14 E22T14-E17 HydrophobicContact CG2-CG 3.88Å; E17-E22 HydrophobicContact CG-CB 4.37Å
18G59.8Low76.3Confident20 Ų2033.8 Ų33.821%0.20618%0.18CC..EExtended strand (participates in β ladder)trans-140.2177.9-179.500000112.4Y20 G21G18-Y20 VanDerWaalsContact C-N 3.3Å; G18-Y20 PolarHBondContact O-N 3.24Å; G18-G21 CarbonylContact C-O 3.54Å; G18-G21 WeakPolarHBondContact CA-O 3.23Å; G18-G21 PolarHBondContact N-O 3.27Å; G18-G21 PolarHBondContact O-N 3.13Å
19A51.9Low76.2Confident42 Ų4238 Ų3835%0.34719%0.193SC..THydrogen-bonded Turntrans-61.6-33.1-173.500000114.4V321A19-V321 HydrophobicContact CB-CG2 3.81Å
20Y57.3Low76.1Confident90 Ų9042.4 Ų42.435%0.35322%0.216SC..THydrogen-bonded Turntrans-102.11.9-176.4-51.2-73.2000113.5G18 I40 D41 G319 F323G18-Y20 VanDerWaalsContact C-N 3.3Å; G18-Y20 PolarHBondContact O-N 3.24Å; Y20-I40 WeakPolarHBondContact O-CA 3.5Å; Y20-I40 WeakPolarHBondContact O-CG2 3.39Å; Y20-D41 PolarHBondContact O-N 3.05Å; Y20-D41 VanDerWaalsContact O-N 3.12Å; Y20-G319 PolarHBondContact OH-O 3.21Å; Y20-F323 HydrophobicContact CD2-CE2 4.01Å; Y20-F323 AromaticContact CD2-CZ 3.75Å; Y20-F323 HydrophobicContact CD2-CZ 3.75Å; Y20-F323 HydrophobicContact CG-CZ 4.25Å
21G71.7Confident76.1Confident24 Ų2444.8 Ų44.825%0.24723%0.232CC..EExtended strand (participates in β ladder)trans150.6-156.2178.300000113.7G18 V39G18-G21 CarbonylContact C-O 3.54Å; G18-G21 WeakPolarHBondContact CA-O 3.23Å; G18-G21 PolarHBondContact N-O 3.27Å; G18-G21 PolarHBondContact O-N 3.13Å; G21-V39 CarbonylContact C-O 3.57Å; G21-V39 VanDerWaalsContact CA-O 3.28Å; G21-V39 WeakPolarHBondContact CA-O 3.31Å
22E81.4Confident76Confident45 Ų4551.6 Ų51.621%0.2126%0.262CS..EExtended strand (participates in β ladder)trans-133.7154.6-17265.7179.7129.600111.7T14 G16 E17 R24 V39T14-E22 HydrophobicContact CG2-CB 4.09Å; T14-E22 VanDerWaalsContact CG2-OE2 3.32Å; T14-E22 WeakPolarHBondContact CG2-OE2 3.16Å; T14-E22 PolarHBondContact OG1-OE2 3.12Å; G16-E22 CarbonylContact O-C 3.59Å; G16-E22 VanDerWaalsContact O-CA 3.28Å; G16-E22 WeakPolarHBondContact O-CA 3.25Å; G16-E22 WeakPolarHBondContact O-CB 3.45Å; E17-E22 HydrophobicContact CG-CB 4.37Å; E22-R24 HydrophobicContact CG-CG 4.08Å; E22-R24 IonicContact OE1-CZ 2.77Å; E22-R24 IonicContact OE1-NE 3.55Å; E22-R24 PolarHBondContact OE1-NE 3.39Å; E22-R24 VanDerWaalsContact OE1-NE 3.09Å; E22-R24 IonicContact OE1-NH2 2.89Å; E22-R24 PolarHBondContact OE1-NH2 3.33Å; E22-R24 IonicContact OE2-CZ 3.01Å; E22-R24 IonicContact OE2-NE 3.69Å; E22-R24 PolarHBondContact OE2-NE 3.1Å; E22-R24 IonicContact OE2-NH2 2.76Å; E22-V39 HydrophobicContact CG-CB 4.35Å; E22-V39 PolarHBondContact N-O 2.82Å; E22-V39 PolarHBondContact O-N 3.41Å
23V83.8Confident76.3Confident3 Ų355.8 Ų55.82%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-105.7127.6173.6-172.60000107.4T14 L15 G16 A36 V37 K38 F323 Q325T14-V23 CarbonylContact C-O 3.55Å; L15-V23 CarbonylContact C-O 3.46Å; L15-V23 VanDerWaalsContact CA-O 3.3Å; L15-V23 WeakPolarHBondContact CA-O 3.45Å; L15-V23 HydrophobicContact CB-CB 4.33Å; L15-V23 HydrophobicContact CB-CG1 4.25Å; L15-V23 WeakPolarHBondContact CB-O 3.33Å; L15-V23 HydrophobicContact CD1-CG1 4.16Å; L15-V23 PolarHBondContact N-O 3.03Å; G16-V23 PolarHBondContact N-O 2.94Å; G16-V23 VanDerWaalsContact N-O 3.08Å; G16-V23 PolarHBondContact O-N 3.26Å; V23-A36 HydrophobicContact CG1-CB 4.18Å; V23-V37 CarbonylContact C-O 3.55Å; V23-V37 WeakPolarHBondContact CA-O 3.19Å; V23-K38 HydrophobicContact CG2-CB 4.18Å; V23-K38 HydrophobicContact CG2-CG 4.09Å; V23-F323 HydrophobicContact CG2-CB 4.28Å; V23-Q325 HydrophobicContact CG1-CG 4Å
24R85.4Confident77Confident68 Ų6855.3 Ų55.326%0.25728%0.284SS..EExtended strand (participates in β ladder)trans-120.3152.5179.8-55.7175.8179.1165.71.4110.8V11 Q13 E22 A36 V37V11-R24 HydrophobicContact CG1-CB 4.06Å; V11-R24 HydrophobicContact CG1-CG 4.4Å; Q13-R24 CarbonylContact O-C 3.59Å; Q13-R24 WeakPolarHBondContact O-CA 3.42Å; Q13-R24 WeakPolarHBondContact O-CB 3.14Å; E22-R24 HydrophobicContact CG-CG 4.08Å; E22-R24 IonicContact OE1-CZ 2.77Å; E22-R24 IonicContact OE1-NE 3.55Å; E22-R24 PolarHBondContact OE1-NE 3.39Å; E22-R24 VanDerWaalsContact OE1-NE 3.09Å; E22-R24 IonicContact OE1-NH2 2.89Å; E22-R24 PolarHBondContact OE1-NH2 3.33Å; E22-R24 IonicContact OE2-CZ 3.01Å; E22-R24 IonicContact OE2-NE 3.69Å; E22-R24 PolarHBondContact OE2-NE 3.1Å; E22-R24 IonicContact OE2-NH2 2.76Å; R24-A36 CarbonylContact O-C 3.5Å; R24-A36 WeakPolarHBondContact O-CA 3.37Å; R24-V37 HydrophobicContact CB-CG1 3.81Å; R24-V37 PolarHBondContact N-O 3.25Å; R24-V37 PolarHBondContact O-N 3.46Å
25L85.3Confident77.7Confident0 Ų054.4 Ų54.40%028%0.278CS..EExtended strand (participates in β ladder)trans-88.1125.4170.8176.860.2000109V12 Q13 L15 V27 A34 Y86 K328V12-L25 HydrophobicContact CB-CD2 4.2Å; V12-L25 HydrophobicContact CB-CG 4.25Å; V12-L25 HydrophobicContact CG1-CD2 4.17Å; V12-L25 PolarHBondContact N-O 3.22Å; Q13-L25 PolarHBondContact O-N 3.1Å; L15-L25 HydrophobicContact CD1-CB 4.04Å; L15-L25 HydrophobicContact CD2-CB 3.97Å; L15-L25 HydrophobicContact CG-CB 3.97Å; L25-V27 HydrophobicContact CD1-CG2 4.27Å; L25-V27 HydrophobicContact CD2-CG2 4.21Å; L25-V27 HydrophobicContact CG-CG2 4.01Å; L25-A34 HydrophobicContact CD1-CB 4.05Å; L25-Y86 HydrophobicContact CD1-CD1 3.87Å; L25-Y86 HydrophobicContact CD1-CD2 3.85Å; L25-Y86 HydrophobicContact CD1-CE1 3.96Å; L25-Y86 HydrophobicContact CD1-CE2 3.99Å; L25-Y86 HydrophobicContact CD1-CG 3.8Å; L25-Y86 HydrophobicContact CD2-CE1 4.48Å; L25-K328 HydrophobicContact CD2-CD 4.41Å
26L87.6Confident78.7Confident2 Ų254.1 Ų54.11%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-105.3136.6166.2-53.4179.6000109.3F5 W9 D10 V11 A34 V35 V37 F83F5-L26 HydrophobicContact CB-CD2 3.9Å; F5-L26 HydrophobicContact CD1-CD1 3.54Å; F5-L26 HydrophobicContact CD1-CD2 4Å; F5-L26 HydrophobicContact CD1-CG 4.43Å; F5-L26 HydrophobicContact CD2-CD2 4.3Å; F5-L26 HydrophobicContact CE1-CD1 3.72Å; F5-L26 HydrophobicContact CG-CD1 4.21Å; F5-L26 HydrophobicContact CG-CD2 3.79Å; F5-L26 HydrophobicContact CZ-CD1 4.47Å; W9-L26 HydrophobicContact CE3-CB 3.77Å; W9-L26 HydrophobicContact CZ3-CB 4.31Å; D10-L26 VanDerWaalsContact O-CA 3.26Å; D10-L26 WeakPolarHBondContact O-CA 3.37Å; V11-L26 HydrophobicContact CB-CD2 4.23Å; V11-L26 HydrophobicContact CG2-CD2 3.72Å; L26-A34 WeakPolarHBondContact O-CA 3.45Å; L26-V35 HydrophobicContact CB-CG2 3.7Å; L26-V35 HydrophobicContact CD1-CG2 4.05Å; L26-V35 HydrophobicContact CG-CG2 4.26Å; L26-V35 PolarHBondContact N-O 2.74Å; L26-V35 PolarHBondContact O-N 3.03Å; L26-V37 HydrophobicContact CD1-CB 3.84Å; L26-V37 HydrophobicContact CD1-CG1 3.8Å; L26-V37 HydrophobicContact CD1-CG2 4.45Å; L26-V37 HydrophobicContact CD2-CG1 3.86Å; L26-V37 HydrophobicContact CG-CB 4.07Å; L26-V37 HydrophobicContact CG-CG1 3.6Å; L26-F83 HydrophobicContact CD1-CD1 4.11Å; L26-F83 HydrophobicContact CD1-CE1 3.71Å
27V85.9Confident80Confident22 Ų2253.9 Ų53.913%0.13327%0.273CS..EExtended strand (participates in β ladder)trans-125.4134.6173.6179.30000109.3W9 D10 V12 L25 E33 A34W9-V27 WeakPolarHBondContact CA-O 3.48Å; D10-V27 PolarHBondContact N-O 3.18Å; D10-V27 PolarHBondContact O-N 2.69Å; V12-V27 HydrophobicContact CB-CG2 4.3Å; V12-V27 HydrophobicContact CG2-CB 3.75Å; V12-V27 HydrophobicContact CG2-CG2 3.6Å; L25-V27 HydrophobicContact CD1-CG2 4.27Å; L25-V27 HydrophobicContact CD2-CG2 4.21Å; L25-V27 HydrophobicContact CG-CG2 4.01Å; V27-E33 CarbonylContact C-O 3.44Å; V27-E33 WeakPolarHBondContact CA-O 3.07Å; V27-A34 HydrophobicContact CG2-CB 4.44Å
28N85.7Confident81.2Confident16 Ų1647.9 Ų47.99%0.08625%0.246CC..EExtended strand (participates in β ladder)trans-77.7123.4171.9-170.4-59.9000109.9D8 W9 Q30 T31 E32 E33D8-N28 CarbonylContact O-C 3.42Å; D8-N28 VanDerWaalsContact O-CA 3.23Å; D8-N28 WeakPolarHBondContact O-CA 3.29Å; W9-N28 HydrophobicContact CD2-CB 3.95Å; W9-N28 HydrophobicContact CE3-CB 4.02Å; W9-N28 HydrophobicContact CH2-CB 3.9Å; W9-N28 HydrophobicContact CZ2-CB 3.81Å; W9-N28 HydrophobicContact CZ3-CB 4Å; W9-N28 PolarHBondContact NE1-ND2 2.88Å; N28-Q30 PolarHBondContact O-N 2.95Å; N28-Q30 WeakPolarHBondContact OD1-CA 3.39Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.2Å; N28-Q30 PolarHBondContact OD1-N 3.23Å; N28-T31 WeakPolarHBondContact CB-OG1 3.49Å; N28-T31 PolarHBondContact OD1-N 2.94Å; N28-T31 PolarHBondContact OD1-OG1 2.92Å; N28-E32 VanDerWaalsContact O-CA 3.22Å; N28-E32 WeakPolarHBondContact O-CA 3.48Å; N28-E32 PolarHBondContact O-N 2.95Å; N28-E33 HydrophobicContact CB-CB 4.33Å; N28-E33 PolarHBondContact N-O 2.97Å
29R83.1Confident82.7Confident124 Ų12447.7 Ų47.747%0.46824%0.24SC..THydrogen-bonded Turntrans-64.1-26-178.4-64.1-176.1-63.8-110.78.1113.6D8 D10D8-R29 VanDerWaalsContact CA-CZ 3.45Å; D8-R29 PolarHBondContact O-N 2.87Å; D8-R29 IonicContact OD1-CZ 3.08Å; D8-R29 IonicContact OD1-NE 3.48Å; D8-R29 IonicContact OD1-NH2 3.66Å; D8-R29 PolarHBondContact OD1-NH2 3.41Å; D8-R29 VanDerWaalsContact OD1-NH2 3.12Å; D10-R29 IonicContact OD1-CZ 3.38Å; D10-R29 IonicContact OD1-NH1 3.58Å; D10-R29 PolarHBondContact OD1-NH1 2.99Å; D10-R29 WeakPolarHBondContact OD2-CD 3.49Å; D10-R29 WeakPolarHBondContact OD2-CG 3.26Å; D10-R29 IonicContact OD2-NH1 2.8Å
30Q84.8Confident84.4Confident145 Ų14545.9 Ų45.968%0.67823%0.225SC*.THydrogen-bonded Turntrans-97.3-45-176.4-59.1-173.711.300112D8 N28D8-Q30 HydrophobicContact CB-CG 4.42Å; D8-Q30 PolarHBondContact OD1-NE2 2.84Å; D8-Q30 VanDerWaalsContact OD1-NE2 3.17Å; D8-Q30 PolarHBondContact OD2-NE2 3.26Å; D8-Q30 VanDerWaalsContact OD2-NE2 3.13Å; N28-Q30 PolarHBondContact O-N 2.95Å; N28-Q30 WeakPolarHBondContact OD1-CA 3.39Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.2Å; N28-Q30 PolarHBondContact OD1-N 3.23Å
31T84.8Confident85.8Confident75 Ų7544.3 Ų44.346%0.4622%0.223SC..THydrogen-bonded Turntrans-94.3-11.2-174.7650000113.5N28 E33N28-T31 WeakPolarHBondContact CB-OG1 3.49Å; N28-T31 PolarHBondContact OD1-N 2.94Å; N28-T31 PolarHBondContact OD1-OG1 2.92Å; T31-E33 PolarHBondContact O-N 3.01Å; T31-E33 VanDerWaalsContact O-N 3.08Å; T31-E33 WeakPolarHBondContact OG1-CB 3.44Å; T31-E33 VanDerWaalsContact OG1-CG 3.28Å; T31-E33 WeakPolarHBondContact OG1-CG 3.41Å; T31-E33 PolarHBondContact OG1-N 2.77Å; T31-E33 PolarHBondContact OG1-OE2 2.86Å
32E81.6Confident86.4Confident159 Ų15944 Ų4474%0.74322%0.216SC*.  trans58.611.4-170.9-55.8-175.5166.100114N28N28-E32 VanDerWaalsContact O-CA 3.22Å; N28-E32 WeakPolarHBondContact O-CA 3.48Å; N28-E32 PolarHBondContact O-N 2.95Å
33E83.6Confident86.2Confident115 Ų11545.5 Ų45.554%0.53723%0.231SC..  trans-64.8138.5176.3-72.1175.714200110.7W9 V27 N28 T31W9-E33 HydrophobicContact CH2-CB 3.92Å; W9-E33 VanDerWaalsContact CZ3-O 3.25Å; W9-E33 WeakPolarHBondContact CZ3-O 3.22Å; V27-E33 CarbonylContact C-O 3.44Å; V27-E33 WeakPolarHBondContact CA-O 3.07Å; N28-E33 HydrophobicContact CB-CB 4.33Å; N28-E33 PolarHBondContact N-O 2.97Å; T31-E33 PolarHBondContact O-N 3.01Å; T31-E33 VanDerWaalsContact O-N 3.08Å; T31-E33 WeakPolarHBondContact OG1-CB 3.44Å; T31-E33 VanDerWaalsContact OG1-CG 3.28Å; T31-E33 WeakPolarHBondContact OG1-CG 3.41Å; T31-E33 PolarHBondContact OG1-N 2.77Å; T31-E33 PolarHBondContact OG1-OE2 2.86Å
34A87.5Confident85.4Confident33 Ų3352.7 Ų52.727%0.27326%0.264SS..EExtended strand (participates in β ladder)trans-116.2132.1-177.400000111L25 L26 V27 Y86L25-A34 HydrophobicContact CD1-CB 4.05Å; L26-A34 WeakPolarHBondContact O-CA 3.45Å; V27-A34 HydrophobicContact CG2-CB 4.44Å; A34-Y86 HydrophobicContact CB-CD1 3.62Å; A34-Y86 HydrophobicContact CB-CE1 4.34Å; A34-Y86 HydrophobicContact CB-CG 4.29Å
35V90.4Very high84.4Confident18 Ų1851.6 Ų51.611%0.10927%0.27CS..EExtended strand (participates in β ladder)trans-132.4147.2173.3-56.50000110.6W9 L26 F71 F83W9-V35 HydrophobicContact CE3-CG2 4.18Å; W9-V35 HydrophobicContact CH2-CG1 3.89Å; W9-V35 HydrophobicContact CH2-CG2 4.2Å; W9-V35 HydrophobicContact CZ3-CB 4.39Å; W9-V35 HydrophobicContact CZ3-CG1 4.07Å; W9-V35 HydrophobicContact CZ3-CG2 3.67Å; L26-V35 HydrophobicContact CB-CG2 3.7Å; L26-V35 HydrophobicContact CD1-CG2 4.05Å; L26-V35 HydrophobicContact CG-CG2 4.26Å; L26-V35 PolarHBondContact N-O 2.74Å; L26-V35 PolarHBondContact O-N 3.03Å; V35-F71 HydrophobicContact CB-CD2 4.48Å; V35-F71 HydrophobicContact CB-CE2 4.49Å; V35-F71 HydrophobicContact CG1-CD2 3.98Å; V35-F71 HydrophobicContact CG1-CE2 3.85Å; V35-F83 HydrophobicContact CG2-CD1 4.43Å
36A91Very high83.3Confident0 Ų060.1 Ų60.10%031%0.307CS..EExtended strand (participates in β ladder)trans-90.9130.4169.800000109L15 V23 R24 L84 Q325L15-A36 HydrophobicContact CD1-CB 3.99Å; V23-A36 HydrophobicContact CG1-CB 4.18Å; R24-A36 CarbonylContact O-C 3.5Å; R24-A36 WeakPolarHBondContact O-CA 3.37Å; A36-L84 HydrophobicContact CB-CB 4.35Å; A36-L84 PolarHBondContact N-O 3.24Å; A36-L84 PolarHBondContact O-N 3.2Å; A36-Q325 VanDerWaalsContact CB-CD 3.46Å; A36-Q325 HydrophobicContact CB-CG 4.19Å
37V92.7Very high82.4Confident0 Ų063.8 Ų63.80%032%0.324CS..EExtended strand (participates in β ladder)trans-110.8114.2173.7670000109.9V23 R24 L26 V39 Y81 L82 F83V23-V37 CarbonylContact C-O 3.55Å; V23-V37 WeakPolarHBondContact CA-O 3.19Å; R24-V37 HydrophobicContact CB-CG1 3.81Å; R24-V37 PolarHBondContact N-O 3.25Å; R24-V37 PolarHBondContact O-N 3.46Å; L26-V37 HydrophobicContact CD1-CB 3.84Å; L26-V37 HydrophobicContact CD1-CG1 3.8Å; L26-V37 HydrophobicContact CD1-CG2 4.45Å; L26-V37 HydrophobicContact CD2-CG1 3.86Å; L26-V37 HydrophobicContact CG-CB 4.07Å; L26-V37 HydrophobicContact CG-CG1 3.6Å; V37-V39 HydrophobicContact CG1-CG2 4.29Å; V37-V39 HydrophobicContact CG2-CG2 4.36Å; V37-Y81 HydrophobicContact CG2-CD1 3.93Å; V37-Y81 HydrophobicContact CG2-CG 4.42Å; V37-L82 CarbonylContact C-O 3.49Å; V37-L82 VanDerWaalsContact CA-O 3.28Å; V37-L82 WeakPolarHBondContact CA-O 3.45Å; V37-F83 HydrophobicContact CB-CD1 4.31Å; V37-F83 HydrophobicContact CB-CE1 4.4Å; V37-F83 HydrophobicContact CG2-CD1 4.09Å; V37-F83 HydrophobicContact CG2-CE1 3.92Å; V37-F83 HydrophobicContact CG2-CZ 4.42Å
38K90.9Very high81.7Confident5 Ų563.2 Ų63.22%0.02232%0.321CS..EExtended strand (participates in β ladder)trans-85.2113.3170.3-176.9173.9173.1-176.60107.9V23 I40 E55 Y81 L82 L84 D148 F323V23-K38 HydrophobicContact CG2-CB 4.18Å; V23-K38 HydrophobicContact CG2-CG 4.09Å; K38-I40 HydrophobicContact CD-CD1 4.24Å; K38-I40 HydrophobicContact CG-CD1 4.15Å; K38-I40 HydrophobicContact CG-CG1 3.96Å; K38-E55 IonicContact NZ-OE1 3.86Å; K38-E55 PolarHBondContact NZ-OE1 2.69Å; K38-E55 IonicContact NZ-OE2 3.67Å; K38-E55 PolarHBondContact NZ-OE2 3.18Å; K38-Y81 CarbonylContact O-C 3.57Å; K38-Y81 WeakPolarHBondContact O-CA 3.28Å; K38-L82 HydrophobicContact CB-CB 4.19Å; K38-L82 HydrophobicContact CD-CD1 4.38Å; K38-L82 PolarHBondContact N-O 2.76Å; K38-L82 PolarHBondContact O-N 2.89Å; K38-L84 HydrophobicContact CB-CD1 4.38Å; K38-D148 IonicContact NZ-OD1 2.89Å; K38-D148 PolarHBondContact NZ-OD1 3.09Å; K38-F323 HydrophobicContact CD-CB 4.2Å; K38-F323 HydrophobicContact CD-CD1 4.34Å; K38-F323 HydrophobicContact CD-CG 4.22Å; K38-F323 HydrophobicContact CG-CD1 4.5Å; K38-F323 VanDerWaalsContact NZ-CD2 3.34Å
39V90.4Very high81.3Confident16 Ų1663.6 Ų63.610%0.09733%0.327CS..EExtended strand (participates in β ladder)trans-98.2120-179.7-170.60000107.8G21 E22 V37 T79 Y81G21-V39 CarbonylContact C-O 3.57Å; G21-V39 VanDerWaalsContact CA-O 3.28Å; G21-V39 WeakPolarHBondContact CA-O 3.31Å; E22-V39 HydrophobicContact CG-CB 4.35Å; E22-V39 PolarHBondContact N-O 2.82Å; E22-V39 PolarHBondContact O-N 3.41Å; V37-V39 HydrophobicContact CG1-CG2 4.29Å; V37-V39 HydrophobicContact CG2-CG2 4.36Å; V39-T79 HydrophobicContact CG1-CG2 3.57Å; V39-Y81 HydrophobicContact CB-CD1 4.44Å; V39-Y81 HydrophobicContact CB-CE1 4.5Å; V39-Y81 HydrophobicContact CG1-CD1 4.12Å; V39-Y81 HydrophobicContact CG1-CE1 3.79Å; V39-Y81 HydrophobicContact CG2-CD1 3.88Å; V39-Y81 HydrophobicContact CG2-CE1 4.03Å
40I87.8Confident81.2Confident3 Ų360.9 Ų60.92%0.01532%0.321CS..EExtended strand (participates in β ladder)trans-123.3125-174.6-51.6174.2000109.2Y20 K38 T42 V52 T79 V80 L82Y20-I40 WeakPolarHBondContact O-CA 3.5Å; Y20-I40 WeakPolarHBondContact O-CG2 3.39Å; K38-I40 HydrophobicContact CD-CD1 4.24Å; K38-I40 HydrophobicContact CG-CD1 4.15Å; K38-I40 HydrophobicContact CG-CG1 3.96Å; I40-T42 HydrophobicContact CG2-CG2 4.46Å; I40-V52 HydrophobicContact CB-CG2 4.42Å; I40-V52 HydrophobicContact CD1-CG1 4.24Å; I40-V52 HydrophobicContact CD1-CG2 3.92Å; I40-V52 HydrophobicContact CG2-CG2 3.69Å; I40-T79 CarbonylContact O-C 3.38Å; I40-T79 WeakPolarHBondContact O-CA 3.38Å; I40-V80 PolarHBondContact N-O 2.87Å; I40-V80 PolarHBondContact O-N 2.87Å; I40-L82 HydrophobicContact CD1-CD1 3.98Å; I40-L82 HydrophobicContact CD1-CG 4.29Å
41D86.5Confident81Confident58 Ų5856.8 Ų56.831%0.3130%0.304SS..EExtended strand (participates in β ladder)trans-92.2115.9173.5-172.8-5.1000110.3Y20 S43Y20-D41 PolarHBondContact O-N 3.05Å; Y20-D41 VanDerWaalsContact O-N 3.12Å; D41-S43 WeakPolarHBondContact OD1-CB 3.34Å; D41-S43 PolarHBondContact OD1-N 2.88Å; D41-S43 PolarHBondContact OD1-OG 3.08Å; D41-S43 PolarHBondContact OD2-OG 2.89Å; D41-S43 VanDerWaalsContact OD2-OG 3.06Å
42T83.8Confident81.1Confident17 Ų1753.7 Ų53.710%0.10429%0.285CS..  trans-95.33.3-179.866.10000113.4I40 Q44 A49 V52 P78 V80I40-T42 HydrophobicContact CG2-CG2 4.46Å; T42-Q44 VanDerWaalsContact C-N 3.27Å; T42-Q44 PolarHBondContact O-N 3.21Å; T42-A49 HydrophobicContact CG2-CB 4.47Å; T42-V52 HydrophobicContact CG2-CG2 4.2Å; T42-P78 WeakPolarHBondContact CB-O 3.47Å; T42-P78 PolarHBondContact N-O 2.9Å; T42-P78 PolarHBondContact OG1-O 2.76Å; T42-V80 HydrophobicContact CG2-CG2 4.01Å
43S78.2Confident81.4Confident76 Ų7651.1 Ų51.153%0.53127%0.271SS..THydrogen-bonded Turntrans-66.5-28.1179.265.30000113.2D41D41-S43 WeakPolarHBondContact OD1-CB 3.34Å; D41-S43 PolarHBondContact OD1-N 2.88Å; D41-S43 PolarHBondContact OD1-OG 3.08Å; D41-S43 PolarHBondContact OD2-OG 2.89Å; D41-S43 VanDerWaalsContact OD2-OG 3.06Å
44Q66.8Low81.7Confident154 Ų15448.9 Ų48.972%0.7226%0.26SS*.THydrogen-bonded Turntrans-75.2-25.8-171.2-60.6-169.118.800113.9T42T42-Q44 VanDerWaalsContact C-N 3.27Å; T42-Q44 PolarHBondContact O-N 3.21Å
45A63.4Low81.9Confident45 Ų4547.9 Ų47.937%0.37225%0.249SC..  trans-160.5138.3178.500000112.7E47 C48A45-E47 VanDerWaalsContact C-N 3.27Å; A45-E47 PolarHBondContact O-N 3.34Å; A45-C48 HydrophobicContact CB-CB 4.26Å; A45-C48 WeakPolarHBondContact O-CB 3.33Å; A45-C48 PolarHBondContact O-N 3.22Å
46K63Low82Confident180 Ų18047.3 Ų47.378%0.78325%0.246SC*.Hα-helixtrans-60.6-36.5174.6-170.5178.1178.7-176.30112.4C48 A49 D50K46-C48 PolarHBondContact O-N 3.37Å; K46-A49 WeakPolarHBondContact O-CB 3.2Å; K46-A49 PolarHBondContact O-N 3.02Å; K46-A49 VanDerWaalsContact O-N 3.11Å; K46-D50 PolarHBondContact O-N 3.48Å
47E68.8Low82.1Confident78 Ų7850.9 Ų50.936%0.36427%0.27SS..Hα-helixtrans-60.8-31.6174.7-65.1-178.5177.500112.3A45 A49 D50 N51A45-E47 VanDerWaalsContact C-N 3.27Å; A45-E47 PolarHBondContact O-N 3.34Å; E47-A49 VanDerWaalsContact C-N 3.34Å; E47-A49 PolarHBondContact O-N 3.33Å; E47-D50 PolarHBondContact O-N 3.44Å; E47-N51 WeakPolarHBondContact O-CB 3.48Å; E47-N51 PolarHBondContact O-N 3.21Å; E47-N51 PolarHBondContact O-ND2 3.2Å; E47-N51 VanDerWaalsContact O-ND2 3.08Å
48C71.6Confident82.2Confident10 Ų1051.2 Ų51.27%0.06827%0.272CS..Hα-helixtrans-60.8-44.1174.2-173.10000110.7A45 K46 D50 N51 V52A45-C48 HydrophobicContact CB-CB 4.26Å; A45-C48 WeakPolarHBondContact O-CB 3.33Å; A45-C48 PolarHBondContact O-N 3.22Å; K46-C48 PolarHBondContact O-N 3.37Å; C48-D50 VanDerWaalsContact C-N 3.35Å; C48-D50 PolarHBondContact O-N 3.03Å; C48-N51 PolarHBondContact O-N 3.32Å; C48-V52 WeakPolarHBondContact O-CB 3.33Å; C48-V52 WeakPolarHBondContact O-CG2 3.46Å; C48-V52 PolarHBondContact O-N 2.7Å
49A76.7Confident82.4Confident25 Ų2551.1 Ų51.121%0.20727%0.272CS..Hα-helixtrans-62.6-39.1-179.500000113T42 K46 E47 K53T42-A49 HydrophobicContact CG2-CB 4.47Å; K46-A49 WeakPolarHBondContact O-CB 3.2Å; K46-A49 PolarHBondContact O-N 3.02Å; K46-A49 VanDerWaalsContact O-N 3.11Å; E47-A49 VanDerWaalsContact C-N 3.34Å; E47-A49 PolarHBondContact O-N 3.33Å; A49-K53 VanDerWaalsContact O-CG 3.31Å; A49-K53 WeakPolarHBondContact O-CG 3.05Å; A49-K53 PolarHBondContact O-N 3.49Å; A49-K53 VanDerWaalsContact O-N 3.07Å
50D80.9Confident82.6Confident67 Ų6755.5 Ų55.536%0.35829%0.289SS..Hα-helixtrans-76.4-35.4179.2-69-28.4000112.2K46 E47 C48 K53 K54K46-D50 PolarHBondContact O-N 3.48Å; E47-D50 PolarHBondContact O-N 3.44Å; C48-D50 VanDerWaalsContact C-N 3.35Å; C48-D50 PolarHBondContact O-N 3.03Å; D50-K53 PolarHBondContact O-N 3.47Å; D50-K53 IonicContact OD1-NZ 2.97Å; D50-K53 PolarHBondContact OD1-NZ 3.18Å; D50-K54 WeakPolarHBondContact O-CB 3.32Å; D50-K54 PolarHBondContact O-N 3.2Å
51N81.3Confident82.9Confident59 Ų5960.4 Ų60.432%0.31631%0.314SS..Hα-helixtrans-62-42.9170.9-69.6-30.9000111.7E47 C48 K54 E55E47-N51 WeakPolarHBondContact O-CB 3.48Å; E47-N51 PolarHBondContact O-N 3.21Å; E47-N51 PolarHBondContact O-ND2 3.2Å; E47-N51 VanDerWaalsContact O-ND2 3.08Å; C48-N51 PolarHBondContact O-N 3.32Å; N51-K54 WeakPolarHBondContact O-CB 3.31Å; N51-K54 PolarHBondContact O-N 2.95Å; N51-E55 PolarHBondContact O-N 3.19Å
52V86.4Confident83.5Confident9 Ų958 Ų586%0.05530%0.301CS..Hα-helixtrans-65.3-42.6177.3172.50000111.6I40 T42 C48 K54 E55 V56 V80I40-V52 HydrophobicContact CB-CG2 4.42Å; I40-V52 HydrophobicContact CD1-CG1 4.24Å; I40-V52 HydrophobicContact CD1-CG2 3.92Å; I40-V52 HydrophobicContact CG2-CG2 3.69Å; T42-V52 HydrophobicContact CG2-CG2 4.2Å; C48-V52 WeakPolarHBondContact O-CB 3.33Å; C48-V52 WeakPolarHBondContact O-CG2 3.46Å; C48-V52 PolarHBondContact O-N 2.7Å; V52-K54 VanDerWaalsContact C-N 3.25Å; V52-K54 PolarHBondContact O-N 3.44Å; V52-E55 PolarHBondContact O-N 2.86Å; V52-V56 HydrophobicContact CG1-CG2 4.46Å; V52-V56 VanDerWaalsContact O-CG2 3.29Å; V52-V56 WeakPolarHBondContact O-CG2 3.48Å; V52-V56 PolarHBondContact O-N 3.38Å; V52-V80 HydrophobicContact CG1-CB 3.96Å; V52-V80 HydrophobicContact CG1-CG1 3.76Å; V52-V80 HydrophobicContact CG1-CG2 4.02Å
53K88.3Confident84.1Confident105 Ų10562.8 Ų62.846%0.45733%0.33SS..Hα-helixtrans-58-42.6173.8-73.6171.3-162.3159.10111.1A49 D50 V56 C57A49-K53 VanDerWaalsContact O-CG 3.31Å; A49-K53 WeakPolarHBondContact O-CG 3.05Å; A49-K53 PolarHBondContact O-N 3.49Å; A49-K53 VanDerWaalsContact O-N 3.07Å; D50-K53 PolarHBondContact O-N 3.47Å; D50-K53 IonicContact OD1-NZ 2.97Å; D50-K53 PolarHBondContact OD1-NZ 3.18Å; K53-V56 PolarHBondContact O-N 2.77Å; K53-C57 WeakPolarHBondContact O-CB 3.49Å; K53-C57 PolarHBondContact O-N 3.22Å; K53-C57 PolarHBondContact O-SG 2.88Å
54K89.1Confident85Confident69 Ų6961.1 Ų61.130%0.331%0.314SS..Hα-helixtrans-64.4-45.4178.1-175.4-176.7179.1-175.50111.9D50 N51 V52 V56 C57 I58 A152 T153D50-K54 WeakPolarHBondContact O-CB 3.32Å; D50-K54 PolarHBondContact O-N 3.2Å; N51-K54 WeakPolarHBondContact O-CB 3.31Å; N51-K54 PolarHBondContact O-N 2.95Å; V52-K54 VanDerWaalsContact C-N 3.25Å; V52-K54 PolarHBondContact O-N 3.44Å; K54-V56 VanDerWaalsContact C-N 3.34Å; K54-V56 PolarHBondContact O-N 3.19Å; K54-C57 PolarHBondContact O-N 2.98Å; K54-I58 HydrophobicContact CG-CD1 3.97Å; K54-I58 WeakPolarHBondContact O-CB 3.47Å; K54-I58 WeakPolarHBondContact O-CG1 3.26Å; K54-I58 PolarHBondContact O-N 3.5Å; K54-A152 VanDerWaalsContact CE-O 3.25Å; K54-A152 WeakPolarHBondContact CE-O 3.29Å; K54-A152 PolarHBondContact NZ-O 3.05Å; K54-T153 WeakPolarHBondContact CE-OG1 3.25Å; K54-T153 PolarHBondContact NZ-OG1 3.01Å
55E91.4Very high86.5Confident11 Ų1158.4 Ų58.45%0.05131%0.309CS..Hα-helixtrans-55.8-49.1173.9-179.6176179.900110.6K38 N51 V52 C57 I58 H59 L82 F149K38-E55 IonicContact NZ-OE1 3.86Å; K38-E55 PolarHBondContact NZ-OE1 2.69Å; K38-E55 IonicContact NZ-OE2 3.67Å; K38-E55 PolarHBondContact NZ-OE2 3.18Å; N51-E55 PolarHBondContact O-N 3.19Å; V52-E55 PolarHBondContact O-N 2.86Å; E55-C57 PolarHBondContact O-N 2.74Å; E55-I58 PolarHBondContact O-N 3.31Å; E55-H59 VanDerWaalsContact O-CB 3.28Å; E55-H59 WeakPolarHBondContact O-CB 3.14Å; E55-H59 PolarHBondContact O-N 2.99Å; E55-L82 HydrophobicContact CG-CD1 4.32Å; E55-F149 HydrophobicContact CG-CB 4.25Å
56V92.3Very high88.2Confident6 Ų656.7 Ų56.74%0.03630%0.295CS..Hα-helixtrans-58-48.6176.5170.20000111.7V52 K53 K54 K60 F70 H73 L82V52-V56 HydrophobicContact CG1-CG2 4.46Å; V52-V56 VanDerWaalsContact O-CG2 3.29Å; V52-V56 WeakPolarHBondContact O-CG2 3.48Å; V52-V56 PolarHBondContact O-N 3.38Å; K53-V56 PolarHBondContact O-N 2.77Å; K54-V56 VanDerWaalsContact C-N 3.34Å; K54-V56 PolarHBondContact O-N 3.19Å; V56-K60 HydrophobicContact CG1-CD 3.85Å; V56-K60 VanDerWaalsContact CG1-CE 3.45Å; V56-K60 HydrophobicContact CG1-CG 4.39Å; V56-K60 VanDerWaalsContact O-CB 3.31Å; V56-K60 WeakPolarHBondContact O-CB 3.44Å; V56-K60 WeakPolarHBondContact O-CG 3.43Å; V56-K60 PolarHBondContact O-N 3.32Å; V56-F70 HydrophobicContact CG1-CZ 4.22Å; V56-H73 HydrophobicContact CG2-CB 4.4Å; V56-L82 HydrophobicContact CG2-CD2 3.41Å; V56-L82 VanDerWaalsContact CG2-CD2 3.41Å
57C94.2Very high89.9Confident76 Ų7648.3 Ų48.351%0.51426%0.259SS..Hα-helixtrans-63.2-45.2-178.8-730000111.8K53 K54 E55 M61K53-C57 WeakPolarHBondContact O-CB 3.49Å; K53-C57 PolarHBondContact O-N 3.22Å; K53-C57 PolarHBondContact O-SG 2.88Å; K54-C57 PolarHBondContact O-N 2.98Å; E55-C57 PolarHBondContact O-N 2.74Å; C57-M61 WeakPolarHBondContact O-CG 3.39Å
58I94.1Very high91.2Very high7 Ų744.7 Ų44.74%0.03624%0.242CC..Hα-helixtrans-61.7-54.6177-73.7173.6000109.6K54 E55 K60 M61 L62 I126 F149 A152K54-I58 HydrophobicContact CG-CD1 3.97Å; K54-I58 WeakPolarHBondContact O-CB 3.47Å; K54-I58 WeakPolarHBondContact O-CG1 3.26Å; K54-I58 PolarHBondContact O-N 3.5Å; E55-I58 PolarHBondContact O-N 3.31Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 2.72Å; I58-M61 WeakPolarHBondContact O-CB 3.28Å; I58-M61 PolarHBondContact O-N 3.3Å; I58-L62 HydrophobicContact CG2-CD1 4.3Å; I58-L62 WeakPolarHBondContact O-CG 3.19Å; I58-I126 HydrophobicContact CG2-CD1 4.29Å; I58-I126 HydrophobicContact CG2-CG2 4.03Å; I58-F149 HydrophobicContact CG2-CB 4.39Å; I58-F149 HydrophobicContact CG2-CD1 4.24Å; I58-A152 HydrophobicContact CD1-CB 3.94Å; I58-A152 WeakPolarHBondContact CD1-O 3.42Å; I58-A152 HydrophobicContact CG2-CB 4.14Å
59H95.6Very high92.4Very high2 Ų251.9 Ų51.91%0.00927%0.267CS..Hα-helixtrans-64.7-35.4-171.8-156.9171000112.5E55 M61 L62 V68 F70 L84 F149E55-H59 VanDerWaalsContact O-CB 3.28Å; E55-H59 WeakPolarHBondContact O-CB 3.14Å; E55-H59 PolarHBondContact O-N 2.99Å; H59-M61 PolarHBondContact O-N 2.83Å; H59-L62 PolarHBondContact O-N 2.84Å; H59-L62 VanDerWaalsContact O-N 3.08Å; H59-V68 PolarHBondContact NE2-O 3.18Å; H59-F70 HydrophobicContact CB-CB 4.36Å; H59-F70 HydrophobicContact CB-CD2 4.07Å; H59-F70 HydrophobicContact CB-CG 4.33Å; H59-F70 AromaticContact CG-CD2 3.87Å; H59-F70 AromaticContact ND1-CD2 3.76Å; H59-L84 VanDerWaalsContact CE1-CD2 3.46Å; H59-L84 WeakPolarHBondContact CE1-CD2 3.45Å; H59-F149 HydrophobicContact CB-CD2 4.39Å; H59-F149 AromaticContact CD2-CD2 3.86Å; H59-F149 AromaticContact CD2-CE2 3.88Å; H59-F149 AromaticContact CE1-CD2 3.82Å; H59-F149 AromaticContact CG-CD2 3.8Å; H59-F149 AromaticContact ND1-CD2 3.79Å; H59-F149 AromaticContact NE2-CD2 3.89Å; H59-F149 AromaticContact NE2-CE2 3.72Å
60K95.3Very high93.3Very high108 Ų10851.9 Ų51.947%0.4726%0.263SS..Hα-helixtrans-56.8-30.3173-82.7175.5176.2175.60114.1V56 I58 L62 F70 H73V56-K60 HydrophobicContact CG1-CD 3.85Å; V56-K60 VanDerWaalsContact CG1-CE 3.45Å; V56-K60 HydrophobicContact CG1-CG 4.39Å; V56-K60 VanDerWaalsContact O-CB 3.31Å; V56-K60 WeakPolarHBondContact O-CB 3.44Å; V56-K60 WeakPolarHBondContact O-CG 3.43Å; V56-K60 PolarHBondContact O-N 3.32Å; I58-K60 VanDerWaalsContact C-N 3.32Å; I58-K60 PolarHBondContact O-N 2.72Å; K60-L62 VanDerWaalsContact C-N 3.32Å; K60-F70 HydrophobicContact CB-CD1 4.45Å; K60-F70 HydrophobicContact CB-CE1 4.5Å; K60-F70 HydrophobicContact CD-CE1 4.1Å; K60-F70 HydrophobicContact CG-CD1 3.59Å; K60-F70 HydrophobicContact CG-CE1 3.26Å; K60-F70 HydrophobicContact CG-CZ 4.02Å; K60-H73 PolarHBondContact NZ-CE1 2.8Å; K60-H73 VanDerWaalsContact NZ-CE1 3.33Å
61M94.3Very high94Very high107 Ų10753.9 Ų53.953%0.52727%0.268SS..THydrogen-bonded Turntrans-83.6-9.9-178.6-62.8171.463.100112.7C57 I58 H59C57-M61 WeakPolarHBondContact O-CG 3.39Å; I58-M61 WeakPolarHBondContact O-CB 3.28Å; I58-M61 PolarHBondContact O-N 3.3Å; H59-M61 PolarHBondContact O-N 2.83Å
62L97.3Very high94.7Very high8 Ų852 Ų524%0.04226%0.263CS..  trans-91.8130.2-172.6-52.3-179000111I58 H59 K60 I67 Y120 L121 L124 I126 F149I58-L62 HydrophobicContact CG2-CD1 4.3Å; I58-L62 WeakPolarHBondContact O-CG 3.19Å; H59-L62 PolarHBondContact O-N 2.84Å; H59-L62 VanDerWaalsContact O-N 3.08Å; K60-L62 VanDerWaalsContact C-N 3.32Å; L62-I67 HydrophobicContact CB-CG2 4.28Å; L62-I67 HydrophobicContact CD1-CG2 4.23Å; L62-Y120 HydrophobicContact CB-CE1 4.34Å; L62-Y120 HydrophobicContact CD2-CE1 4.03Å; L62-L121 HydrophobicContact CD1-CD2 3.85Å; L62-L121 HydrophobicContact CD2-CD2 3.62Å; L62-L121 HydrophobicContact CG-CD2 4.38Å; L62-L124 HydrophobicContact CD2-CD1 3.79Å; L62-I126 HydrophobicContact CD2-CD1 3.87Å; L62-F149 HydrophobicContact CD1-CD1 3.75Å; L62-F149 HydrophobicContact CD1-CD2 4.13Å; L62-F149 HydrophobicContact CD1-CE1 3.31Å; L62-F149 HydrophobicContact CD1-CE2 3.74Å; L62-F149 HydrophobicContact CD1-CG 4.15Å; L62-F149 HydrophobicContact CD1-CZ 3.32Å
63T96.9Very high95.1Very high117 Ų11755.6 Ų55.672%0.71828%0.279SS*.  trans-146.199.3172.2-60.60000108.4Y120T63-Y120 PolarHBondContact N-OH 2.98Å; T63-Y120 PolarHBondContact O-OH 3.27Å
64H98.4Very high95.3Very high41 Ų4153.7 Ų53.719%0.1927%0.269CS..  trans-151.4140.9-179-176.4-92.2000109.5S66 I67 Y120H64-S66 PolarHBondContact CE1-OG 2.78Å; H64-S66 PolarHBondContact ND1-N 2.95Å; H64-S66 PolarHBondContact O-N 3.05Å; H64-I67 HydrophobicContact CB-CB 4.17Å; H64-I67 HydrophobicContact CB-CD1 3.91Å; H64-I67 HydrophobicContact CB-CG1 4.03Å; H64-I67 PolarHBondContact O-N 3.4Å; H64-I67 VanDerWaalsContact O-N 3.09Å; H64-Y120 HydrophobicContact CB-CD1 3.78Å; H64-Y120 HydrophobicContact CB-CD2 4.39Å; H64-Y120 HydrophobicContact CB-CE1 3.91Å; H64-Y120 HydrophobicContact CB-CG 4.01Å; H64-Y120 AromaticContact CD2-CG 3.8Å
65P97.8Very high95.4Very high96 Ų9656.8 Ų56.862%0.62328%0.282SS*.THydrogen-bonded Turntrans-57.8-34-17821.6-34.4000113.3K145P65-K145 VanDerWaalsContact O-CD 3.29Å; P65-K145 WeakPolarHBondContact O-CD 3.46Å; P65-K145 WeakPolarHBondContact O-CE 3.49Å; P65-K145 PolarHBondContact O-NZ 3.35Å
66S98.3Very high95.4Very high10 Ų1060.4 Ų60.47%0.0730%0.299CS..THydrogen-bonded Turntrans-92.717.7179.5-41.90000115H64 Q113 L144 L146H64-S66 PolarHBondContact CE1-OG 2.78Å; H64-S66 PolarHBondContact ND1-N 2.95Å; H64-S66 PolarHBondContact O-N 3.05Å; S66-Q113 WeakPolarHBondContact CB-O 2.94Å; S66-Q113 PolarHBondContact OG-O 3.07Å; S66-L144 WeakPolarHBondContact CA-O 3.48Å; S66-L144 WeakPolarHBondContact CB-O 3.4Å; S66-L146 PolarHBondContact O-N 2.78Å
67I98.4Very high95.2Very high4 Ų463 Ų632%0.02133%0.327CS..BIsolated β-bridgetrans-123.3137174.2-67.1178.6000107.7L62 H64 R69 A117 Y120 L121 L146 F149L62-I67 HydrophobicContact CB-CG2 4.28Å; L62-I67 HydrophobicContact CD1-CG2 4.23Å; H64-I67 HydrophobicContact CB-CB 4.17Å; H64-I67 HydrophobicContact CB-CD1 3.91Å; H64-I67 HydrophobicContact CB-CG1 4.03Å; H64-I67 PolarHBondContact O-N 3.4Å; H64-I67 VanDerWaalsContact O-N 3.09Å; I67-R69 PolarHBondContact O-N 2.76Å; I67-A117 HydrophobicContact CG1-CB 4.08Å; I67-Y120 HydrophobicContact CD1-CD1 3.6Å; I67-Y120 HydrophobicContact CD1-CE1 3.99Å; I67-L121 HydrophobicContact CD1-CD2 3.95Å; I67-L121 HydrophobicContact CD1-CG 4.1Å; I67-L146 HydrophobicContact CG1-CB 4.4Å; I67-F149 HydrophobicContact CD1-CZ 4.5Å; I67-F149 HydrophobicContact CG2-CE2 3.82Å; I67-F149 HydrophobicContact CG2-CZ 3.61Å
68V97.1Very high94.9Very high1 Ų162.4 Ų62.41%0.00632%0.322CS..PPolyproline II helixtrans-55.8125174.1168.70000109.3H59 L84 E85 L137 K145 L146H59-V68 PolarHBondContact NE2-O 3.18Å; V68-L84 HydrophobicContact CG1-CB 3.97Å; V68-E85 HydrophobicContact CG1-CB 4.03Å; V68-L137 HydrophobicContact CG2-CD1 4.1Å; V68-K145 HydrophobicContact CG2-CB 3.83Å; V68-L146 PolarHBondContact N-O 2.88Å
69R96.6Very high94.7Very high162 Ų16263.6 Ų63.661%0.61133%0.33SS*.PPolyproline II helixtrans-69137.9178.5-173.8173.2179.2153.22.3111.5I67 F71 L84 E85I67-R69 PolarHBondContact O-N 2.76Å; R69-F71 HydrophobicContact CB-CE1 4.49Å; R69-F71 HydrophobicContact CG-CD1 4.25Å; R69-F71 HydrophobicContact CG-CE1 4.01Å; R69-L84 CarbonylContact O-C 3.5Å; R69-L84 WeakPolarHBondContact O-CA 3.46Å; R69-E85 HydrophobicContact CB-CB 3.95Å; R69-E85 PolarHBondContact N-OE2 2.93Å; R69-E85 PolarHBondContact O-N 3.45Å
70F96.3Very high94.5Very high24 Ų2464 Ų6411%0.10533%0.332CS..EExtended strand (participates in β ladder)trans-93.6122169.9-178-93.9000109.8V56 H59 K60 G72 H73 L82 L84V56-F70 HydrophobicContact CG1-CZ 4.22Å; H59-F70 HydrophobicContact CB-CB 4.36Å; H59-F70 HydrophobicContact CB-CD2 4.07Å; H59-F70 HydrophobicContact CB-CG 4.33Å; H59-F70 AromaticContact CG-CD2 3.87Å; H59-F70 AromaticContact ND1-CD2 3.76Å; K60-F70 HydrophobicContact CB-CD1 4.45Å; K60-F70 HydrophobicContact CB-CE1 4.5Å; K60-F70 HydrophobicContact CD-CE1 4.1Å; K60-F70 HydrophobicContact CG-CD1 3.59Å; K60-F70 HydrophobicContact CG-CE1 3.26Å; K60-F70 HydrophobicContact CG-CZ 4.02Å; F70-G72 VanDerWaalsContact CE1-CA 3.41Å; F70-G72 WeakPolarHBondContact CE2-O 3.45Å; F70-G72 WeakPolarHBondContact CZ-O 3.39Å; F70-H73 HydrophobicContact CZ-CB 3.96Å; F70-L82 HydrophobicContact CE2-CB 4.27Å; F70-L82 HydrophobicContact CE2-CD2 4.29Å; F70-L84 HydrophobicContact CB-CD2 4.44Å; F70-L84 HydrophobicContact CD2-CD2 3.66Å; F70-L84 HydrophobicContact CE2-CD2 4.45Å; F70-L84 HydrophobicContact CG-CD2 4.48Å
71F95.3Very high94.4Very high109 Ų10960.3 Ų60.348%0.47832%0.316SS..EExtended strand (participates in β ladder)trans-92.3-33.3177.9-63.6-51.7000112.6V35 R69 F83 L84 E85V35-F71 HydrophobicContact CB-CD2 4.48Å; V35-F71 HydrophobicContact CB-CE2 4.49Å; V35-F71 HydrophobicContact CG1-CD2 3.98Å; V35-F71 HydrophobicContact CG1-CE2 3.85Å; R69-F71 HydrophobicContact CB-CE1 4.49Å; R69-F71 HydrophobicContact CG-CD1 4.25Å; R69-F71 HydrophobicContact CG-CE1 4.01Å; F71-F83 HydrophobicContact CB-CB 4.12Å; F71-F83 WeakPolarHBondContact CB-O 3.25Å; F71-F83 PolarHBondContact N-O 2.89Å; F71-L84 WeakPolarHBondContact CE2-O 3.22Å; F71-E85 HydrophobicContact CE2-CB 4.38Å; F71-E85 HydrophobicContact CZ-CB 4.37Å
72G94.4Very high94.4Very high19 Ų1955.2 Ų55.220%0.19629%0.291CS..EExtended strand (participates in β ladder)trans166.1-179-176.800000112.5F70 F83F70-G72 VanDerWaalsContact CE1-CA 3.41Å; F70-G72 WeakPolarHBondContact CE2-O 3.45Å; F70-G72 WeakPolarHBondContact CZ-O 3.39Å; G72-F83 PolarHBondContact N-O 3.21Å; G72-F83 PolarHBondContact O-N 3.27Å
73H95.1Very high94.3Very high85 Ų8557 Ų5739%0.39430%0.298SS..EExtended strand (participates in β ladder)trans-140.6153.9170.871.4-31.3000110.7V56 K60 F70 Y81 L82V56-H73 HydrophobicContact CG2-CB 4.4Å; K60-H73 PolarHBondContact NZ-CE1 2.8Å; K60-H73 VanDerWaalsContact NZ-CE1 3.33Å; F70-H73 HydrophobicContact CZ-CB 3.96Å; H73-Y81 CarbonylContact C-O 3.51Å; H73-Y81 WeakPolarHBondContact CA-O 3.43Å; H73-Y81 VanDerWaalsContact CB-O 3.3Å; H73-Y81 WeakPolarHBondContact CB-O 3.3Å; H73-L82 HydrophobicContact CB-CD2 3.64Å
74R93.3Very high94.2Very high65 Ų6551.7 Ų51.725%0.24527%0.265CS..EExtended strand (participates in β ladder)trans-125.8149.2169.7-176.7-179.782.9-169.113.6108.7V6 E76 Y81 F83V6-R74 VanDerWaalsContact CG1-NH1 3.27Å; R74-E76 HydrophobicContact CG-CG 4.31Å; R74-E76 IonicContact CZ-OE1 3.61Å; R74-E76 IonicContact CZ-OE2 2.69Å; R74-E76 IonicContact NE-OE1 3.77Å; R74-E76 PolarHBondContact NE-OE1 3.04Å; R74-E76 IonicContact NE-OE2 3.91Å; R74-E76 IonicContact NH1-OE1 3.87Å; R74-E76 IonicContact NH2-OE1 3.6Å; R74-E76 PolarHBondContact NH2-OE1 3.46Å; R74-E76 IonicContact NH2-OE2 2.74Å; R74-E76 PolarHBondContact NH2-OE2 3.07Å; R74-Y81 HydrophobicContact CB-CD2 4.41Å; R74-Y81 PolarHBondContact N-O 2.92Å; R74-Y81 PolarHBondContact O-N 2.84Å; R74-F83 HydrophobicContact CB-CE2 3.9Å; R74-F83 HydrophobicContact CB-CZ 4.49Å
75K91.3Very high94Very high135 Ų13551.7 Ų51.759%0.58727%0.266SS*.EExtended strand (participates in β ladder)trans-123.7132.5171.1-178.1177179.1-178.10109.8G77 T79 V80K75-G77 WeakPolarHBondContact CE-O 3.42Å; K75-T79 WeakPolarHBondContact CA-O 3.27Å; K75-V80 HydrophobicContact CG-CG2 4.28Å
76E90.6Very high93.6Very high87 Ų8748.1 Ų48.141%0.40724%0.24SC..EExtended strand (participates in β ladder)trans-134.3108.9174.5-66177.1159.900109.1R74 T79 Y81R74-E76 HydrophobicContact CG-CG 4.31Å; R74-E76 IonicContact CZ-OE1 3.61Å; R74-E76 IonicContact CZ-OE2 2.69Å; R74-E76 IonicContact NE-OE1 3.77Å; R74-E76 PolarHBondContact NE-OE1 3.04Å; R74-E76 IonicContact NE-OE2 3.91Å; R74-E76 IonicContact NH1-OE1 3.87Å; R74-E76 IonicContact NH2-OE1 3.6Å; R74-E76 PolarHBondContact NH2-OE1 3.46Å; R74-E76 IonicContact NH2-OE2 2.74Å; R74-E76 PolarHBondContact NH2-OE2 3.07Å; E76-T79 PolarHBondContact N-O 3.49Å; E76-T79 PolarHBondContact O-N 2.84Å; E76-Y81 HydrophobicContact CB-CE2 4.16Å; E76-Y81 HydrophobicContact CG-CE2 4.2Å; E76-Y81 VanDerWaalsContact OE2-CE2 3.22Å; E76-Y81 WeakPolarHBondContact OE2-CE2 3.43Å; E76-Y81 PolarHBondContact OE2-OH 2.84Å
77G89.1Confident93.1Very high60 Ų6047.6 Ų47.662%0.61924%0.236SC*.THydrogen-bonded Turntrans54.7-124.4-173.600000111.6K75 T79K75-G77 WeakPolarHBondContact CE-O 3.42Å; G77-T79 VanDerWaalsContact C-N 3.32Å
78P87.8Confident92.3Very high64 Ų6449.4 Ų49.442%0.41625%0.248SC..THydrogen-bonded Turntrans-82.9-3.7176.235.1-35000113.7T42T42-P78 WeakPolarHBondContact CB-O 3.47Å; T42-P78 PolarHBondContact N-O 2.9Å; T42-P78 PolarHBondContact OG1-O 2.76Å
79T89.9Confident91.5Very high32 Ų3249.9 Ų49.920%0.19625%0.253CS..EExtended strand (participates in β ladder)trans-96.4132.5-176.1-53.20000111.1V39 I40 K75 E76 G77 Y81V39-T79 HydrophobicContact CG1-CG2 3.57Å; I40-T79 CarbonylContact O-C 3.38Å; I40-T79 WeakPolarHBondContact O-CA 3.38Å; K75-T79 WeakPolarHBondContact CA-O 3.27Å; E76-T79 PolarHBondContact N-O 3.49Å; E76-T79 PolarHBondContact O-N 2.84Å; G77-T79 VanDerWaalsContact C-N 3.32Å; T79-Y81 HydrophobicContact CG2-CD2 4.23Å; T79-Y81 HydrophobicContact CG2-CE1 4.17Å; T79-Y81 HydrophobicContact CG2-CE2 3.64Å
80V91.3Very high90.9Very high10 Ų1042.2 Ų42.26%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-113132.6172.1-175.50000109.5I40 T42 V52 K75 L82I40-V80 PolarHBondContact N-O 2.87Å; I40-V80 PolarHBondContact O-N 2.87Å; T42-V80 HydrophobicContact CG2-CG2 4.01Å; V52-V80 HydrophobicContact CG1-CB 3.96Å; V52-V80 HydrophobicContact CG1-CG1 3.76Å; V52-V80 HydrophobicContact CG1-CG2 4.02Å; K75-V80 HydrophobicContact CG-CG2 4.28Å; V80-L82 HydrophobicContact CG1-CD2 3.78Å
81Y93.2Very high90.3Very high31 Ų3141.9 Ų41.912%0.12222%0.223CC..EExtended strand (participates in β ladder)trans-111.9121.5177-58.1-94.9000108.7F5 V37 K38 V39 H73 R74 E76 T79F5-Y81 HydrophobicContact CE2-CD1 4.07Å; F5-Y81 AromaticContact CE2-CE1 3.78Å; F5-Y81 HydrophobicContact CE2-CE1 3.78Å; F5-Y81 AromaticContact CZ-CD1 3.87Å; F5-Y81 HydrophobicContact CZ-CD1 3.87Å; F5-Y81 HydrophobicContact CZ-CE1 4.01Å; F5-Y81 HydrophobicContact CZ-CG 4.46Å; V37-Y81 HydrophobicContact CG2-CD1 3.93Å; V37-Y81 HydrophobicContact CG2-CG 4.42Å; K38-Y81 CarbonylContact O-C 3.57Å; K38-Y81 WeakPolarHBondContact O-CA 3.28Å; V39-Y81 HydrophobicContact CB-CD1 4.44Å; V39-Y81 HydrophobicContact CB-CE1 4.5Å; V39-Y81 HydrophobicContact CG1-CD1 4.12Å; V39-Y81 HydrophobicContact CG1-CE1 3.79Å; V39-Y81 HydrophobicContact CG2-CD1 3.88Å; V39-Y81 HydrophobicContact CG2-CE1 4.03Å; H73-Y81 CarbonylContact C-O 3.51Å; H73-Y81 WeakPolarHBondContact CA-O 3.43Å; H73-Y81 VanDerWaalsContact CB-O 3.3Å; H73-Y81 WeakPolarHBondContact CB-O 3.3Å; R74-Y81 HydrophobicContact CB-CD2 4.41Å; R74-Y81 PolarHBondContact N-O 2.92Å; R74-Y81 PolarHBondContact O-N 2.84Å; E76-Y81 HydrophobicContact CB-CE2 4.16Å; E76-Y81 HydrophobicContact CG-CE2 4.2Å; E76-Y81 VanDerWaalsContact OE2-CE2 3.22Å; E76-Y81 WeakPolarHBondContact OE2-CE2 3.43Å; E76-Y81 PolarHBondContact OE2-OH 2.84Å; T79-Y81 HydrophobicContact CG2-CD2 4.23Å; T79-Y81 HydrophobicContact CG2-CE1 4.17Å; T79-Y81 HydrophobicContact CG2-CE2 3.64Å
82L94Very high90Very high0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-105.1120.6172.8-47.5-174.2000109V37 K38 I40 E55 V56 F70 H73 V80 L84V37-L82 CarbonylContact C-O 3.49Å; V37-L82 VanDerWaalsContact CA-O 3.28Å; V37-L82 WeakPolarHBondContact CA-O 3.45Å; K38-L82 HydrophobicContact CB-CB 4.19Å; K38-L82 HydrophobicContact CD-CD1 4.38Å; K38-L82 PolarHBondContact N-O 2.76Å; K38-L82 PolarHBondContact O-N 2.89Å; I40-L82 HydrophobicContact CD1-CD1 3.98Å; I40-L82 HydrophobicContact CD1-CG 4.29Å; E55-L82 HydrophobicContact CG-CD1 4.32Å; V56-L82 HydrophobicContact CG2-CD2 3.41Å; V56-L82 VanDerWaalsContact CG2-CD2 3.41Å; F70-L82 HydrophobicContact CE2-CB 4.27Å; F70-L82 HydrophobicContact CE2-CD2 4.29Å; H73-L82 HydrophobicContact CB-CD2 3.64Å; V80-L82 HydrophobicContact CG1-CD2 3.78Å; L82-L84 HydrophobicContact CB-CD2 4.43Å; L82-L84 HydrophobicContact CB-CG 4.48Å
83F94.9Very high89.5Confident44 Ų4436.5 Ų36.519%0.19319%0.194CC..EExtended strand (participates in β ladder)trans-93.9120.8178.7-60.1-84.2000109.5F5 L26 V35 V37 F71 G72 R74F5-F83 AromaticContact CE1-CE1 3.82Å; F5-F83 HydrophobicContact CE1-CE1 3.82Å; F5-F83 AromaticContact CE1-CZ 3.93Å; F5-F83 HydrophobicContact CE1-CZ 3.93Å; F5-F83 HydrophobicContact CZ-CE1 4.38Å; F5-F83 HydrophobicContact CZ-CZ 4.27Å; L26-F83 HydrophobicContact CD1-CD1 4.11Å; L26-F83 HydrophobicContact CD1-CE1 3.71Å; V35-F83 HydrophobicContact CG2-CD1 4.43Å; V37-F83 HydrophobicContact CB-CD1 4.31Å; V37-F83 HydrophobicContact CB-CE1 4.4Å; V37-F83 HydrophobicContact CG2-CD1 4.09Å; V37-F83 HydrophobicContact CG2-CE1 3.92Å; V37-F83 HydrophobicContact CG2-CZ 4.42Å; F71-F83 HydrophobicContact CB-CB 4.12Å; F71-F83 WeakPolarHBondContact CB-O 3.25Å; F71-F83 PolarHBondContact N-O 2.89Å; G72-F83 PolarHBondContact N-O 3.21Å; G72-F83 PolarHBondContact O-N 3.27Å; R74-F83 HydrophobicContact CB-CE2 3.9Å; R74-F83 HydrophobicContact CB-CZ 4.49Å
84L95.2Very high88.8Confident7 Ų733.7 Ų33.74%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-129.8157.6-168.1-55.8179.4000110.9A36 K38 H59 V68 R69 F70 F71 L82 Y86A36-L84 HydrophobicContact CB-CB 4.35Å; A36-L84 PolarHBondContact N-O 3.24Å; A36-L84 PolarHBondContact O-N 3.2Å; K38-L84 HydrophobicContact CB-CD1 4.38Å; H59-L84 VanDerWaalsContact CE1-CD2 3.46Å; H59-L84 WeakPolarHBondContact CE1-CD2 3.45Å; V68-L84 HydrophobicContact CG1-CB 3.97Å; R69-L84 CarbonylContact O-C 3.5Å; R69-L84 WeakPolarHBondContact O-CA 3.46Å; F70-L84 HydrophobicContact CB-CD2 4.44Å; F70-L84 HydrophobicContact CD2-CD2 3.66Å; F70-L84 HydrophobicContact CE2-CD2 4.45Å; F70-L84 HydrophobicContact CG-CD2 4.48Å; F71-L84 WeakPolarHBondContact CE2-O 3.22Å; L82-L84 HydrophobicContact CB-CD2 4.43Å; L82-L84 HydrophobicContact CB-CG 4.48Å; L84-Y86 PolarHBondContact O-N 2.86Å
85E93.3Very high88.3Confident41 Ų4134.5 Ų34.519%0.19219%0.185CC..EExtended strand (participates in β ladder)trans-54.9128.4166.4177.3178.8-159.800110.5V68 R69 F71 K145 Q325V68-E85 HydrophobicContact CG1-CB 4.03Å; R69-E85 HydrophobicContact CB-CB 3.95Å; R69-E85 PolarHBondContact N-OE2 2.93Å; R69-E85 PolarHBondContact O-N 3.45Å; F71-E85 HydrophobicContact CE2-CB 4.38Å; F71-E85 HydrophobicContact CZ-CB 4.37Å; E85-K145 VanDerWaalsContact CD-NZ 3.28Å; E85-K145 VanDerWaalsContact OE1-CE 3.26Å; E85-K145 WeakPolarHBondContact OE1-CE 3.38Å; E85-K145 IonicContact OE1-NZ 3.12Å; E85-K145 PolarHBondContact OE1-NZ 3.21Å; E85-K145 IonicContact OE2-NZ 3.89Å; E85-K145 PolarHBondContact OE2-NZ 3.29Å; E85-Q325 PolarHBondContact O-NE2 2.98Å
86Y90.6Very high88Confident20 Ų2028.1 Ų28.18%0.07816%0.157CC..  trans-84.4120.1172.3175.9-124.2000109.9L15 L25 A34 L84 T88 T327L15-Y86 HydrophobicContact CD1-CD2 3.92Å; L15-Y86 HydrophobicContact CD1-CE2 3.89Å; L15-Y86 HydrophobicContact CD2-CE2 3.9Å; L25-Y86 HydrophobicContact CD1-CD1 3.87Å; L25-Y86 HydrophobicContact CD1-CD2 3.85Å; L25-Y86 HydrophobicContact CD1-CE1 3.96Å; L25-Y86 HydrophobicContact CD1-CE2 3.99Å; L25-Y86 HydrophobicContact CD1-CG 3.8Å; L25-Y86 HydrophobicContact CD2-CE1 4.48Å; A34-Y86 HydrophobicContact CB-CD1 3.62Å; A34-Y86 HydrophobicContact CB-CE1 4.34Å; A34-Y86 HydrophobicContact CB-CG 4.29Å; L84-Y86 PolarHBondContact O-N 2.86Å; Y86-T88 HydrophobicContact CD1-CG2 3.83Å; Y86-T88 HydrophobicContact CE1-CG2 3.55Å; Y86-T327 WeakPolarHBondContact OH-CG2 3.3Å
87C87.7Confident87.6Confident0 Ų028.3 Ų28.30%016%0.158CC..  trans-99.2101-177.8-65.40000110.2G89 G90 L137 L138 Q325C87-G89 VanDerWaalsContact C-N 3.27Å; C87-G89 PolarHBondContact O-N 3.36Å; C87-G90 PolarHBondContact O-N 3.39Å; C87-L137 HydrophobicContact CB-CB 3.61Å; C87-L137 HydrophobicContact CB-CD1 3.82Å; C87-L137 HydrophobicContact CB-CG 4.35Å; C87-L138 CarbonylContact C-O 3.47Å; C87-L138 WeakPolarHBondContact CB-O 3.45Å; C87-Q325 VanDerWaalsContact N-OE1 3.1Å
88T82Confident87.2Confident42 Ų4226.1 Ų26.126%0.25813%0.133SC..THydrogen-bonded Turntrans-69.4-19.4-173.752.20000114.1Y86 G90 D140 T327Y86-T88 HydrophobicContact CD1-CG2 3.83Å; Y86-T88 HydrophobicContact CE1-CG2 3.55Å; T88-G90 PolarHBondContact O-N 3.12Å; T88-D140 WeakPolarHBondContact OG1-CA 3.4Å; T88-D140 WeakPolarHBondContact OG1-CB 3.2Å; T88-D140 PolarHBondContact OG1-N 3.06Å; T88-T327 WeakPolarHBondContact O-CG2 3.46Å
89G80.2Confident86.9Confident11 Ų1126.2 Ų26.211%0.11313%0.13CC..THydrogen-bonded Turntrans-74.5-11175.700000114.1C87 R95 L138 D139C87-G89 VanDerWaalsContact C-N 3.27Å; C87-G89 PolarHBondContact O-N 3.36Å; G89-R95 PolarHBondContact O-NH2 3.37Å; G89-L138 CarbonylContact C-O 3.57Å; G89-L138 WeakPolarHBondContact CA-O 3.36Å; G89-L138 PolarHBondContact N-O 2.81Å; G89-D139 WeakPolarHBondContact CA-O 3.34Å
90G83.4Confident86.8Confident1 Ų129 Ų291%0.0115%0.147CC..EExtended strand (participates in β ladder)trans73.4-159.8179.700000113.5C87 T88 L137 L138 T327C87-G90 PolarHBondContact O-N 3.39Å; T88-G90 PolarHBondContact O-N 3.12Å; G90-L137 CarbonylContact O-C 3.38Å; G90-L137 WeakPolarHBondContact O-CA 3.46Å; G90-L138 PolarHBondContact N-O 2.84Å; G90-L138 PolarHBondContact O-N 3.08Å; G90-T327 WeakPolarHBondContact CA-OG1 3.4Å; G90-T327 PolarHBondContact N-OG1 2.95Å
91E83.8Confident86.8Confident17 Ų1728.7 Ų28.78%0.07915%0.145CC..EExtended strand (participates in β ladder)trans-77.7142.3-179.2-61172.2-153.400111.7F93 D94 L137 S324E91-F93 HydrophobicContact CB-CB 4.11Å; E91-F93 PolarHBondContact O-N 3.38Å; E91-D94 PolarHBondContact O-N 2.85Å; E91-L137 HydrophobicContact CB-CD2 4.47Å; E91-L137 HydrophobicContact CG-CD2 3.82Å; E91-S324 WeakPolarHBondContact OE1-CB 3.22Å; E91-S324 PolarHBondContact OE1-OG 2.79Å; E91-S324 PolarHBondContact OE2-OG 3.44Å
92L89.1Confident86.8Confident0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-59.6-35.1168.2-178.467.6000110.4D94 R95 M102 F110 P133 I136 L138 V197 M201L92-D94 PolarHBondContact O-N 2.81Å; L92-R95 WeakPolarHBondContact O-CA 3.29Å; L92-R95 WeakPolarHBondContact O-CB 3.09Å; L92-R95 PolarHBondContact O-N 3.16Å; L92-M102 HydrophobicContact CD1-CE 3.94Å; L92-F110 HydrophobicContact CD1-CD2 3.5Å; L92-F110 HydrophobicContact CD1-CE2 3.74Å; L92-F110 HydrophobicContact CD1-CG 4.05Å; L92-F110 HydrophobicContact CD1-CZ 4.45Å; L92-P133 HydrophobicContact CB-CB 4.49Å; L92-P133 HydrophobicContact CD2-CB 4.49Å; L92-I136 HydrophobicContact CB-CB 4Å; L92-I136 HydrophobicContact CB-CG2 3.88Å; L92-I136 WeakPolarHBondContact CB-O 3.42Å; L92-I136 HydrophobicContact CD2-CB 4.21Å; L92-I136 HydrophobicContact CD2-CD1 4.14Å; L92-I136 HydrophobicContact CD2-CG2 3.91Å; L92-I136 HydrophobicContact CG-CG2 4.49Å; L92-I136 PolarHBondContact N-O 2.76Å; L92-L138 HydrophobicContact CD1-CD1 4.41Å; L92-V197 HydrophobicContact CD2-CG1 4.23Å; L92-M201 HydrophobicContact CD1-SD 4.33Å; L92-M201 HydrophobicContact CD2-CG 4.21Å; L92-M201 HydrophobicContact CD2-SD 3.77Å
93F84.5Confident86.9Confident15 Ų1532.1 Ų32.17%0.06617%0.17CC..Hα-helixtrans-47.9-44.8174.7-178.4-100.5000111.8E91 R95 I96 P133 E134 G427 L428 K431E91-F93 HydrophobicContact CB-CB 4.11Å; E91-F93 PolarHBondContact O-N 3.38Å; F93-R95 PolarHBondContact O-N 2.9Å; F93-I96 PolarHBondContact O-N 3.45Å; F93-P133 HydrophobicContact CB-CB 3.87Å; F93-P133 HydrophobicContact CD2-CB 4.22Å; F93-P133 PolarHBondContact N-O 2.89Å; F93-P133 VanDerWaalsContact N-O 3.15Å; F93-E134 HydrophobicContact CB-CG 4.17Å; F93-E134 HydrophobicContact CD2-CG 4.27Å; F93-E134 HydrophobicContact CG-CG 4.13Å; F93-G427 VanDerWaalsContact CZ-CA 3.45Å; F93-G427 WeakPolarHBondContact CZ-O 3.42Å; F93-L428 HydrophobicContact CE2-CD2 4.04Å; F93-L428 HydrophobicContact CE2-CG 4.08Å; F93-L428 HydrophobicContact CZ-CD2 4.36Å; F93-K431 HydrophobicContact CE1-CD 4.25Å; F93-K431 VanDerWaalsContact CE1-CE 3.42Å; F93-K431 HydrophobicContact CE1-CG 4.35Å; F93-K431 HydrophobicContact CZ-CD 4.22Å; F93-K431 HydrophobicContact CZ-CG 4.33Å; F93-K431 PolarHBondContact O-NZ 2.83Å
94D79.4Confident87Confident25 Ų2532 Ų3213%0.13417%0.17CC..Hα-helixtrans-64-25.9179.9-80.9-26.2000113.6E91 L92 K431E91-D94 PolarHBondContact O-N 2.85Å; L92-D94 PolarHBondContact O-N 2.81Å; D94-K431 PolarHBondContact O-NZ 3.19Å; D94-K431 VanDerWaalsContact O-NZ 3.11Å
95R84.1Confident87Confident82 Ų8239.2 Ų39.231%0.30920%0.201SC..Hα-helixtrans-80.7-13178.9-52.8-55.5-176.681.64.6114.1G89 L92 F93 M102 L138 D142G89-R95 PolarHBondContact O-NH2 3.37Å; L92-R95 WeakPolarHBondContact O-CA 3.29Å; L92-R95 WeakPolarHBondContact O-CB 3.09Å; L92-R95 PolarHBondContact O-N 3.16Å; F93-R95 PolarHBondContact O-N 2.9Å; R95-M102 HydrophobicContact CB-CE 4.12Å; R95-L138 HydrophobicContact CG-CD1 3.59Å; R95-D142 IonicContact CZ-OD1 3.89Å; R95-D142 VanDerWaalsContact CZ-OD1 3.22Å; R95-D142 IonicContact NH1-OD1 2.69Å; R95-D142 PolarHBondContact NH1-OD1 3.38Å; R95-D142 IonicContact NH1-OD2 3.64Å; R95-D142 IonicContact NH2-OD1 3.98Å; R95-D142 PolarHBondContact NH2-OD1 2.64Å
96I83.5Confident87.2Confident1 Ų140.4 Ų40.41%0.00521%0.208CC..  trans-86114.1179.9-60.8169.8000109.1F93 M102 P133 A200 M201 L428 K431F93-I96 PolarHBondContact O-N 3.45Å; I96-M102 HydrophobicContact CB-CE 4.5Å; I96-M102 HydrophobicContact CD1-CE 4.48Å; I96-M102 HydrophobicContact CG1-CE 3.48Å; I96-M102 VanDerWaalsContact CG1-CE 3.48Å; I96-P133 HydrophobicContact CD1-CB 3.79Å; I96-P133 HydrophobicContact CD1-CG 3.75Å; I96-A200 HydrophobicContact CD1-CB 4.14Å; I96-A200 VanDerWaalsContact CG2-O 3.24Å; I96-A200 WeakPolarHBondContact CG2-O 3.45Å; I96-M201 HydrophobicContact CD1-CG 4.29Å; I96-M201 HydrophobicContact CG1-CG 4.49Å; I96-L428 HydrophobicContact CG2-CD2 3.96Å; I96-K431 PolarHBondContact O-NZ 2.88Å
97E83.6Confident87.5Confident91 Ų9139.4 Ų39.443%0.42521%0.205SC..BIsolated β-bridgetrans-76.4129.1173.2-176.4162.3-150.100109.9D99 V100 G101 G204 M356E97-D99 PolarHBondContact O-N 3.45Å; E97-V100 HydrophobicContact CB-CB 4.09Å; E97-V100 HydrophobicContact CG-CB 3.9Å; E97-V100 HydrophobicContact CG-CG2 4.14Å; E97-V100 PolarHBondContact O-N 3.5Å; E97-G101 VanDerWaalsContact CB-O 3.28Å; E97-G101 WeakPolarHBondContact CB-O 3.26Å; E97-G101 PolarHBondContact N-O 3.2Å; E97-G101 PolarHBondContact O-N 2.9Å; E97-G204 WeakPolarHBondContact O-CA 3.42Å; E97-M356 HydrophobicContact CB-CE 3.96Å; E97-M356 HydrophobicContact CB-SD 4.4Å; E97-M356 HydrophobicContact CG-CE 3.75Å
98P80.5Confident88Confident14 Ų1440.6 Ų40.69%0.09121%0.21CC..THydrogen-bonded Turntrans-60.3139.6-179.8-20.631.9000111.7V100 G204 K431 R432P98-V100 PolarHBondContact O-N 3.25Å; P98-G204 WeakPolarHBondContact CA-O 3.13Å; P98-K431 HydrophobicContact CB-CB 4.4Å; P98-K431 HydrophobicContact CG-CB 3.24Å; P98-K431 HydrophobicContact CG-CD 3.86Å; P98-K431 HydrophobicContact CG-CG 4.23Å; P98-R432 HydrophobicContact CB-CG 3.73Å
99D81.4Confident88.7Confident67 Ų6742.2 Ų42.236%0.35821%0.213SC..THydrogen-bonded Turntrans62.8-7.2-178.8-58.7-54.4000116.3E97 A203 G204 K233 R432E97-D99 PolarHBondContact O-N 3.45Å; D99-A203 CarbonylContact C-O 3.49Å; D99-G204 PolarHBondContact N-O 3.46Å; D99-K233 WeakPolarHBondContact O-CE 3.19Å; D99-K233 PolarHBondContact O-NZ 3.36Å; D99-K233 IonicContact OD1-NZ 2.76Å; D99-R432 IonicContact OD1-CZ 2.64Å; D99-R432 VanDerWaalsContact OD1-CZ 3.25Å; D99-R432 IonicContact OD1-NE 3.66Å; D99-R432 PolarHBondContact OD1-NE 2.9Å; D99-R432 IonicContact OD1-NH2 3.99Å; D99-R432 PolarHBondContact OD1-NH2 2.85Å; D99-R432 WeakPolarHBondContact OD2-CD 3.46Å; D99-R432 IonicContact OD2-CZ 3.45Å; D99-R432 IonicContact OD2-NE 3.49Å; D99-R432 PolarHBondContact OD2-NE 3.26Å; D99-R432 IonicContact OD2-NH2 2.9Å
100V88.2Confident89.6Confident91 Ų9142.1 Ų42.155%0.55221%0.21SC*.THydrogen-bonded Turntrans-116.8-41.8-176.4179.30000111.8E97 P98 A203E97-V100 HydrophobicContact CB-CB 4.09Å; E97-V100 HydrophobicContact CG-CB 3.9Å; E97-V100 HydrophobicContact CG-CG2 4.14Å; E97-V100 PolarHBondContact O-N 3.5Å; P98-V100 PolarHBondContact O-N 3.25Å; V100-A203 PolarHBondContact N-O 3.22Å
101G91.2Very high90.3Very high3 Ų342 Ų423%0.03121%0.209CC..BIsolated β-bridgetrans88.5-140.8-174.500000112.4E97 M201 G204E97-G101 VanDerWaalsContact CB-O 3.28Å; E97-G101 WeakPolarHBondContact CB-O 3.26Å; E97-G101 PolarHBondContact N-O 3.2Å; E97-G101 PolarHBondContact O-N 2.9Å; G101-M201 CarbonylContact C-O 3.19Å; G101-M201 VanDerWaalsContact CA-O 3.23Å; G101-M201 WeakPolarHBondContact CA-O 3.48Å; G101-G204 VanDerWaalsContact CA-N 3.29Å; G101-G204 VanDerWaalsContact N-CA 3.34Å
102M93.4Very high91.1Very high22 Ų2245.6 Ų45.611%0.10822%0.224CC..  trans-136.9166175.173.3-178.260.900109.8L92 R95 I96 E104 D106 A107 F110 M201L92-M102 HydrophobicContact CD1-CE 3.94Å; R95-M102 HydrophobicContact CB-CE 4.12Å; I96-M102 HydrophobicContact CB-CE 4.5Å; I96-M102 HydrophobicContact CD1-CE 4.48Å; I96-M102 HydrophobicContact CG1-CE 3.48Å; I96-M102 VanDerWaalsContact CG1-CE 3.48Å; M102-E104 PolarHBondContact O-N 3.09Å; M102-D106 HydrophobicContact SD-CB 4.26Å; M102-A107 HydrophobicContact CG-CB 4Å; M102-A107 HydrophobicContact SD-CB 4.26Å; M102-F110 HydrophobicContact CE-CD2 4.5Å; M102-F110 HydrophobicContact SD-CD2 3.63Å; M102-F110 HydrophobicContact SD-CE2 3.71Å; M102-M201 HydrophobicContact CE-CB 4Å; M102-M201 HydrophobicContact CE-CG 3.7Å; M102-M201 HydrophobicContact CE-SD 4.24Å; M102-M201 HydrophobicContact CG-CB 4.23Å; M102-M201 WeakPolarHBondContact CG-O 3.31Å; M102-M201 PolarHBondContact N-O 3.14Å; M102-M201 HydrophobicContact SD-CB 4.12Å; M102-M201 HydrophobicContact SD-CG 4.11Å; M102-M201 HydrophobicContact SD-SD 4.11Å
103P95.5Very high91.5Very high81 Ų8147.3 Ų47.353%0.52623%0.233SC..  trans-54.3134176.5-25.535.5000111.7K105 D106 A107P103-K105 PolarHBondContact O-N 3.39Å; P103-K105 VanDerWaalsContact O-N 3.08Å; P103-D106 WeakPolarHBondContact CG-OD2 3.11Å; P103-D106 WeakPolarHBondContact O-CB 3.45Å; P103-D106 PolarHBondContact O-N 3.45Å; P103-A107 PolarHBondContact O-N 2.92Å
104E95.8Very high92.2Very high41 Ų4146.7 Ų46.719%0.19223%0.23CC..Hα-helixtrans-55.7-33.8-176.1-175.1-178.5146.100112.6M102 D106 A107 H108 L202 Q235 W264M102-E104 PolarHBondContact O-N 3.09Å; E104-D106 VanDerWaalsContact C-N 3.31Å; E104-D106 PolarHBondContact O-N 3.28Å; E104-A107 PolarHBondContact O-N 3.25Å; E104-H108 VanDerWaalsContact O-CB 3.25Å; E104-H108 WeakPolarHBondContact O-CB 3.3Å; E104-H108 PolarHBondContact O-N 2.86Å; E104-L202 HydrophobicContact CB-CD2 4.32Å; E104-L202 HydrophobicContact CG-CD2 4.03Å; E104-Q235 WeakPolarHBondContact OE2-CG 2.86Å; E104-W264 HydrophobicContact CG-CZ2 4.16Å; E104-W264 PolarHBondContact OE1-NE1 3.19Å
105K96.4Very high93.1Very high159 Ų15945.5 Ų45.569%0.69122%0.224SC*.Hα-helixtrans-60.2-40.2175.5-176.3-175.7174.8-1710112.3P103 K109P103-K105 PolarHBondContact O-N 3.39Å; P103-K105 VanDerWaalsContact O-N 3.08Å; K105-K109 PolarHBondContact O-N 2.91Å; K105-K109 VanDerWaalsContact O-N 3.1Å
106D96.1Very high93.8Very high65 Ų6543.2 Ų43.235%0.34822%0.222SC..Hα-helixtrans-75.2-44.5-179.9-58.8-28.3000109.8M102 P103 E104 H108 K109 F110M102-D106 HydrophobicContact SD-CB 4.26Å; P103-D106 WeakPolarHBondContact CG-OD2 3.11Å; P103-D106 WeakPolarHBondContact O-CB 3.45Å; P103-D106 PolarHBondContact O-N 3.45Å; E104-D106 VanDerWaalsContact C-N 3.31Å; E104-D106 PolarHBondContact O-N 3.28Å; D106-H108 PolarHBondContact O-N 2.91Å; D106-K109 WeakPolarHBondContact O-CB 2.91Å; D106-K109 PolarHBondContact O-N 3.47Å; D106-K109 VanDerWaalsContact O-N 3.14Å; D106-F110 HydrophobicContact CB-CE2 4.09Å; D106-F110 WeakPolarHBondContact O-CD2 3.49Å; D106-F110 WeakPolarHBondContact O-CG 3.35Å; D106-F110 PolarHBondContact O-N 3.4Å
107A97.9Very high94.6Very high0 Ų043.1 Ų43.10%022%0.222CC..Hα-helixtrans-55.8-40.6172.800000111.9M102 P103 E104 F111 M201 L202M102-A107 HydrophobicContact CG-CB 4Å; M102-A107 HydrophobicContact SD-CB 4.26Å; P103-A107 PolarHBondContact O-N 2.92Å; E104-A107 PolarHBondContact O-N 3.25Å; A107-F111 WeakPolarHBondContact O-CB 3.2Å; A107-F111 PolarHBondContact O-N 2.9Å; A107-M201 HydrophobicContact CB-CB 3.88Å; A107-M201 HydrophobicContact CB-CE 4.38Å; A107-M201 HydrophobicContact CB-SD 4.42Å; A107-L202 HydrophobicContact CB-CD2 3.76Å; A107-L202 HydrophobicContact CB-CG 4.35Å
108H98.1Very high95.3Very high24 Ų2438.8 Ų38.811%0.11120%0.201CC..Hα-helixtrans-64.2-47.1175.3-177.4-104000112.4E104 D106 F110 F111 K112 W264 F265 G268E104-H108 VanDerWaalsContact O-CB 3.25Å; E104-H108 WeakPolarHBondContact O-CB 3.3Å; E104-H108 PolarHBondContact O-N 2.86Å; D106-H108 PolarHBondContact O-N 2.91Å; H108-F110 PolarHBondContact O-N 3.02Å; H108-F111 PolarHBondContact O-N 2.8Å; H108-K112 WeakPolarHBondContact O-CG 3.46Å; H108-K112 PolarHBondContact O-N 3.14Å; H108-W264 HydrophobicContact CB-CH2 3.96Å; H108-W264 HydrophobicContact CB-CZ2 3.81Å; H108-W264 AromaticContact CD2-CE2 3.95Å; H108-W264 AromaticContact CD2-CE3 3.98Å; H108-W264 AromaticContact CD2-CH2 3.89Å; H108-W264 AromaticContact CD2-CZ2 3.9Å; H108-W264 AromaticContact CD2-CZ3 3.92Å; H108-W264 PolarHBondContact CD2-O 2.96Å; H108-W264 VanDerWaalsContact CD2-O 3.3Å; H108-W264 PolarHBondContact NE2-O 2.83Å; H108-F265 PolarHBondContact CE1-O 2.64Å; H108-F265 PolarHBondContact NE2-O 2.77Å; H108-G268 WeakPolarHBondContact CE1-CA 3.35Å; H108-G268 VanDerWaalsContact NE2-CA 3.27Å; H108-G268 WeakPolarHBondContact NE2-CA 3.5Å; H108-G268 PolarHBondContact NE2-N 3.02Å
109K97.8Very high96.1Very high76 Ų7640.8 Ų40.833%0.3321%0.21SC..Hα-helixtrans-56-52.5175.5-178.8-167.5177.9-168.20110.8K105 D106 K112 Q113 K141 D142K105-K109 PolarHBondContact O-N 2.91Å; K105-K109 VanDerWaalsContact O-N 3.1Å; D106-K109 WeakPolarHBondContact O-CB 2.91Å; D106-K109 PolarHBondContact O-N 3.47Å; D106-K109 VanDerWaalsContact O-N 3.14Å; K109-K112 PolarHBondContact O-N 2.92Å; K109-Q113 PolarHBondContact O-N 3.46Å; K109-K141 PolarHBondContact NZ-O 3.23Å; K109-D142 VanDerWaalsContact CE-O 3.31Å; K109-D142 WeakPolarHBondContact CE-O 3.38Å; K109-D142 PolarHBondContact NZ-O 3.17Å
110F98.5Very high97Very high9 Ų940.1 Ų40.14%0.03920%0.202CC..Hα-helixtrans-64.8-43.3-178.7-60.7-38.1000111.6L92 M102 D106 H108 K112 Q113 L114 L138 D142 L144 M201L92-F110 HydrophobicContact CD1-CD2 3.5Å; L92-F110 HydrophobicContact CD1-CE2 3.74Å; L92-F110 HydrophobicContact CD1-CG 4.05Å; L92-F110 HydrophobicContact CD1-CZ 4.45Å; M102-F110 HydrophobicContact CE-CD2 4.5Å; M102-F110 HydrophobicContact SD-CD2 3.63Å; M102-F110 HydrophobicContact SD-CE2 3.71Å; D106-F110 HydrophobicContact CB-CE2 4.09Å; D106-F110 WeakPolarHBondContact O-CD2 3.49Å; D106-F110 WeakPolarHBondContact O-CG 3.35Å; D106-F110 PolarHBondContact O-N 3.4Å; H108-F110 PolarHBondContact O-N 3.02Å; F110-K112 VanDerWaalsContact C-N 3.31Å; F110-K112 PolarHBondContact O-N 3.04Å; F110-Q113 PolarHBondContact O-N 2.81Å; F110-Q113 VanDerWaalsContact O-N 3.12Å; F110-L114 WeakPolarHBondContact O-CB 3.18Å; F110-L114 PolarHBondContact O-N 3.26Å; F110-L138 HydrophobicContact CD1-CD2 3.89Å; F110-L138 HydrophobicContact CE1-CD1 4.43Å; F110-L138 HydrophobicContact CE1-CD2 3.45Å; F110-L138 VanDerWaalsContact CE1-CD2 3.45Å; F110-L138 HydrophobicContact CZ-CD1 4.1Å; F110-L138 HydrophobicContact CZ-CD2 3.94Å; F110-D142 HydrophobicContact CE1-CB 4.3Å; F110-D142 WeakPolarHBondContact CE1-O 3.41Å; F110-D142 HydrophobicContact CZ-CB 4.43Å; F110-L144 HydrophobicContact CB-CD1 4.21Å; F110-L144 WeakPolarHBondContact O-CD1 3.34Å; F110-M201 HydrophobicContact CB-CE 4.49Å; F110-M201 HydrophobicContact CB-SD 3.88Å; F110-M201 HydrophobicContact CD2-SD 4.17Å
111F98.7Very high97.5Very high0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-61.3-39.1179-169-103.5000112.5A107 H108 Q113 L114 I115 C194 L198 M201 L241 L245 I259 W264 F265A107-F111 WeakPolarHBondContact O-CB 3.2Å; A107-F111 PolarHBondContact O-N 2.9Å; H108-F111 PolarHBondContact O-N 2.8Å; F111-Q113 PolarHBondContact O-N 2.75Å; F111-L114 PolarHBondContact O-N 2.83Å; F111-I115 HydrophobicContact CD1-CG1 3.99Å; F111-I115 HydrophobicContact CE1-CD1 4.05Å; F111-I115 HydrophobicContact CE1-CG1 3.61Å; F111-I115 HydrophobicContact CE2-CD1 4.21Å; F111-I115 HydrophobicContact CE2-CG1 4.31Å; F111-I115 HydrophobicContact CZ-CD1 3.72Å; F111-I115 HydrophobicContact CZ-CG1 3.79Å; F111-I115 WeakPolarHBondContact O-CG1 3.31Å; F111-I115 PolarHBondContact O-N 2.7Å; F111-C194 HydrophobicContact CE2-CB 4.1Å; F111-C194 WeakPolarHBondContact CE2-O 3.18Å; F111-L198 HydrophobicContact CB-CD1 4.22Å; F111-L198 HydrophobicContact CD1-CD2 4.39Å; F111-L198 HydrophobicContact CD2-CB 3.73Å; F111-L198 HydrophobicContact CD2-CD1 4.03Å; F111-L198 HydrophobicContact CD2-CD2 4.03Å; F111-L198 HydrophobicContact CD2-CG 4.14Å; F111-L198 HydrophobicContact CE1-CD2 4.25Å; F111-L198 HydrophobicContact CE2-CB 3.74Å; F111-L198 HydrophobicContact CE2-CD2 3.89Å; F111-L198 HydrophobicContact CE2-CG 4.3Å; F111-L198 HydrophobicContact CG-CD1 4.12Å; F111-L198 HydrophobicContact CG-CD2 4.27Å; F111-L198 HydrophobicContact CZ-CD2 4Å; F111-M201 HydrophobicContact CB-CE 4.06Å; F111-M201 HydrophobicContact CD2-CE 4.37Å; F111-L241 HydrophobicContact CE1-CD2 3.92Å; F111-L245 HydrophobicContact CE2-CD1 4.36Å; F111-L245 HydrophobicContact CZ-CD1 3.73Å; F111-L245 HydrophobicContact CZ-CD2 4.48Å; F111-I259 HydrophobicContact CE1-CG2 4.06Å; F111-W264 HydrophobicContact CB-CH2 4.26Å; F111-W264 HydrophobicContact CB-CZ3 4.19Å; F111-W264 AromaticContact CD1-CZ3 3.69Å; F111-W264 HydrophobicContact CD1-CZ3 3.69Å; F111-W264 HydrophobicContact CE1-CZ3 4.36Å; F111-W264 HydrophobicContact CG-CZ3 4.09Å; F111-F265 AromaticContact CD1-CD2 4Å; F111-F265 HydrophobicContact CD1-CD2 4Å; F111-F265 HydrophobicContact CD1-CE2 4.16Å; F111-F265 HydrophobicContact CE1-CD2 4.08Å; F111-F265 HydrophobicContact CE1-CE2 4.36Å
112K98.6Very high97.8Very high91 Ų9135.7 Ų35.740%0.39618%0.175SC..Hα-helixtrans-60.7-43.9173.9-73-174.667.7170.10112.5H108 K109 F110 A116 F265H108-K112 WeakPolarHBondContact O-CG 3.46Å; H108-K112 PolarHBondContact O-N 3.14Å; K109-K112 PolarHBondContact O-N 2.92Å; F110-K112 VanDerWaalsContact C-N 3.31Å; F110-K112 PolarHBondContact O-N 3.04Å; K112-A116 PolarHBondContact O-N 3.3Å; K112-F265 HydrophobicContact CB-CE2 4.32Å; K112-F265 HydrophobicContact CB-CZ 4.21Å; K112-F265 HydrophobicContact CG-CD2 4.22Å; K112-F265 HydrophobicContact CG-CE1 4.23Å; K112-F265 HydrophobicContact CG-CE2 3.8Å; K112-F265 HydrophobicContact CG-CZ 3.81Å
113Q98.8Very high98Very high37 Ų3740.3 Ų40.317%0.17320%0.2CC..Hα-helixtrans-69.1-34.8178.7-68.5175.3-28.800112.1S66 K109 F110 F111 A117 N143 L144S66-Q113 WeakPolarHBondContact CB-O 2.94Å; S66-Q113 PolarHBondContact OG-O 3.07Å; K109-Q113 PolarHBondContact O-N 3.46Å; F110-Q113 PolarHBondContact O-N 2.81Å; F110-Q113 VanDerWaalsContact O-N 3.12Å; F111-Q113 PolarHBondContact O-N 2.75Å; Q113-A117 PolarHBondContact O-N 3.03Å; Q113-N143 PolarHBondContact NE2-OD1 3.05Å; Q113-L144 HydrophobicContact CB-CB 3.67Å; Q113-L144 HydrophobicContact CB-CG 4.44Å; Q113-L144 VanDerWaalsContact OE1-CB 3.27Å
114L98.9Very high98.1Very high1 Ų139.6 Ų39.61%0.00519%0.191CC..Hα-helixtrans-63.2-50.9173.5179.360000111F110 F111 A116 A117 V118 I131 I136 L144 L146 C194 V197F110-L114 WeakPolarHBondContact O-CB 3.18Å; F110-L114 PolarHBondContact O-N 3.26Å; F111-L114 PolarHBondContact O-N 2.83Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 3.39Å; L114-A117 WeakPolarHBondContact O-CB 3.46Å; L114-A117 PolarHBondContact O-N 3.24Å; L114-A117 VanDerWaalsContact O-N 3.12Å; L114-V118 HydrophobicContact CD1-CG2 4.14Å; L114-V118 WeakPolarHBondContact O-CG2 3.09Å; L114-V118 PolarHBondContact O-N 2.88Å; L114-I131 HydrophobicContact CD1-CG2 4.11Å; L114-I131 HydrophobicContact CD2-CG2 4.44Å; L114-I136 HydrophobicContact CD1-CD1 4.02Å; L114-I136 HydrophobicContact CD2-CD1 4.25Å; L114-L144 HydrophobicContact CB-CD1 3.82Å; L114-L146 HydrophobicContact CD1-CD1 4.5Å; L114-C194 HydrophobicContact CD2-CB 4.14Å; L114-V197 HydrophobicContact CD2-CB 4.27Å; L114-V197 HydrophobicContact CD2-CG1 4.02Å
115I98.8Very high98.2Very high1 Ų137.7 Ų37.71%0.00518%0.183CC..Hα-helixtrans-60.6-39.6178.7-66.1-59000111.2F111 V118 E119 C194 I256 I259 F265F111-I115 HydrophobicContact CD1-CG1 3.99Å; F111-I115 HydrophobicContact CE1-CD1 4.05Å; F111-I115 HydrophobicContact CE1-CG1 3.61Å; F111-I115 HydrophobicContact CE2-CD1 4.21Å; F111-I115 HydrophobicContact CE2-CG1 4.31Å; F111-I115 HydrophobicContact CZ-CD1 3.72Å; F111-I115 HydrophobicContact CZ-CG1 3.79Å; F111-I115 WeakPolarHBondContact O-CG1 3.31Å; F111-I115 PolarHBondContact O-N 2.7Å; I115-V118 PolarHBondContact O-N 2.88Å; I115-E119 VanDerWaalsContact O-CB 3.27Å; I115-E119 WeakPolarHBondContact O-CB 3.4Å; I115-E119 PolarHBondContact O-N 3.14Å; I115-C194 HydrophobicContact CD1-CB 4.18Å; I115-I256 HydrophobicContact CG2-CG2 3.92Å; I115-I259 HydrophobicContact CD1-CD1 4.01Å; I115-I259 HydrophobicContact CD1-CG2 4.39Å; I115-I259 HydrophobicContact CG1-CG2 4.21Å; I115-I259 HydrophobicContact CG2-CG2 4.44Å; I115-F265 HydrophobicContact CB-CE2 3.89Å; I115-F265 HydrophobicContact CB-CZ 4.23Å; I115-F265 HydrophobicContact CG1-CE2 3.91Å; I115-F265 HydrophobicContact CG2-CE2 4.09Å; I115-F265 HydrophobicContact CG2-CZ 4.15Å
116A98.8Very high98.2Very high33 Ų3330.1 Ų30.127%0.27315%0.15SC..Hα-helixtrans-62.4-42.1174.400000112.8K112 L114 Y120K112-A116 PolarHBondContact O-N 3.3Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 3.39Å; A116-Y120 WeakPolarHBondContact O-CB 3.11Å; A116-Y120 PolarHBondContact O-N 2.84Å
117A98.8Very high98.3Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-63.2-44.8175.900000112I67 Q113 L114 Y120 L121 L146I67-A117 HydrophobicContact CG1-CB 4.08Å; Q113-A117 PolarHBondContact O-N 3.03Å; L114-A117 WeakPolarHBondContact O-CB 3.46Å; L114-A117 PolarHBondContact O-N 3.24Å; L114-A117 VanDerWaalsContact O-N 3.12Å; A117-Y120 WeakPolarHBondContact O-CB 3.3Å; A117-Y120 PolarHBondContact O-N 3.03Å; A117-L121 WeakPolarHBondContact O-CG 3.18Å; A117-L121 PolarHBondContact O-N 3.43Å; A117-L121 VanDerWaalsContact O-N 3.08Å; A117-L146 HydrophobicContact CB-CB 4.39Å; A117-L146 HydrophobicContact CB-CD2 4.32Å
118V98.8Very high98.3Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-69.1-40.2-179177.50000111.2L114 I115 Y120 L121 H122 I131 D190 I256L114-V118 HydrophobicContact CD1-CG2 4.14Å; L114-V118 WeakPolarHBondContact O-CG2 3.09Å; L114-V118 PolarHBondContact O-N 2.88Å; I115-V118 PolarHBondContact O-N 2.88Å; V118-Y120 VanDerWaalsContact C-N 3.33Å; V118-Y120 PolarHBondContact O-N 3.25Å; V118-L121 PolarHBondContact O-N 3.1Å; V118-H122 VanDerWaalsContact CG1-CE1 3.45Å; V118-H122 WeakPolarHBondContact CG1-CE1 3.4Å; V118-H122 WeakPolarHBondContact CG1-NE2 3.33Å; V118-H122 WeakPolarHBondContact O-CB 3.27Å; V118-H122 PolarHBondContact O-CD2 2.94Å; V118-H122 VanDerWaalsContact O-CG 3.29Å; V118-H122 PolarHBondContact O-N 3.08Å; V118-I131 HydrophobicContact CG2-CD1 3.68Å; V118-D190 HydrophobicContact CG1-CB 4.06Å; V118-I256 HydrophobicContact CB-CD1 4.46Å; V118-I256 HydrophobicContact CG1-CD1 3.97Å
119E98.7Very high98.2Very high56 Ų5627.6 Ų27.626%0.26213%0.134SC..Hα-helixtrans-57.2-47.1172.7-174.2174.9-133.400111.5I115 L121 H122 N123 I256 Q260I115-E119 VanDerWaalsContact O-CB 3.27Å; I115-E119 WeakPolarHBondContact O-CB 3.4Å; I115-E119 PolarHBondContact O-N 3.14Å; E119-L121 PolarHBondContact O-N 3.29Å; E119-H122 PolarHBondContact O-N 2.79Å; E119-N123 WeakPolarHBondContact O-CB 3.16Å; E119-N123 VanDerWaalsContact O-CG 3.23Å; E119-N123 PolarHBondContact O-N 2.95Å; E119-N123 PolarHBondContact O-ND2 3.4Å; E119-I256 HydrophobicContact CB-CD1 4.13Å; E119-I256 HydrophobicContact CB-CG2 3.92Å; E119-I256 HydrophobicContact CG-CG2 3.94Å; E119-Q260 PolarHBondContact OE1-NE2 2.69Å; E119-Q260 PolarHBondContact OE2-NE2 3.2Å
120Y98.8Very high98Very high52 Ų5224.4 Ų24.420%0.20412%0.121CC..Hα-helixtrans-57.7-46.7176.6172.4-97.4000112.1L62 T63 H64 I67 A116 A117 V118 N123 L124L62-Y120 HydrophobicContact CB-CE1 4.34Å; L62-Y120 HydrophobicContact CD2-CE1 4.03Å; T63-Y120 PolarHBondContact N-OH 2.98Å; T63-Y120 PolarHBondContact O-OH 3.27Å; H64-Y120 HydrophobicContact CB-CD1 3.78Å; H64-Y120 HydrophobicContact CB-CD2 4.39Å; H64-Y120 HydrophobicContact CB-CE1 3.91Å; H64-Y120 HydrophobicContact CB-CG 4.01Å; H64-Y120 AromaticContact CD2-CG 3.8Å; I67-Y120 HydrophobicContact CD1-CD1 3.6Å; I67-Y120 HydrophobicContact CD1-CE1 3.99Å; A116-Y120 WeakPolarHBondContact O-CB 3.11Å; A116-Y120 PolarHBondContact O-N 2.84Å; A117-Y120 WeakPolarHBondContact O-CB 3.3Å; A117-Y120 PolarHBondContact O-N 3.03Å; V118-Y120 VanDerWaalsContact C-N 3.33Å; V118-Y120 PolarHBondContact O-N 3.25Å; Y120-N123 PolarHBondContact O-N 2.74Å; Y120-L124 HydrophobicContact CD1-CD1 4.35Å; Y120-L124 HydrophobicContact CE1-CD1 3.64Å; Y120-L124 HydrophobicContact CE2-CD1 4.23Å; Y120-L124 PolarHBondContact O-N 3.39Å
121L98.6Very high97.9Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-60.3-46.8175.9-68.8174.9000111.7L62 I67 A117 V118 E119 N123 L124 G125 I126 H128 L146 F149L62-L121 HydrophobicContact CD1-CD2 3.85Å; L62-L121 HydrophobicContact CD2-CD2 3.62Å; L62-L121 HydrophobicContact CG-CD2 4.38Å; I67-L121 HydrophobicContact CD1-CD2 3.95Å; I67-L121 HydrophobicContact CD1-CG 4.1Å; A117-L121 WeakPolarHBondContact O-CG 3.18Å; A117-L121 PolarHBondContact O-N 3.43Å; A117-L121 VanDerWaalsContact O-N 3.08Å; V118-L121 PolarHBondContact O-N 3.1Å; E119-L121 PolarHBondContact O-N 3.29Å; L121-N123 VanDerWaalsContact C-N 3.29Å; L121-N123 PolarHBondContact O-N 3.47Å; L121-L124 CarbonylContact O-C 3.56Å; L121-L124 PolarHBondContact O-N 2.9Å; L121-L124 VanDerWaalsContact O-N 3.09Å; L121-G125 PolarHBondContact O-N 3.5Å; L121-I126 CarbonylContact C-O 3.51Å; L121-I126 HydrophobicContact CB-CB 4.47Å; L121-I126 HydrophobicContact CD2-CB 4.43Å; L121-I126 HydrophobicContact CD2-CG2 4.12Å; L121-I126 PolarHBondContact O-N 2.9Å; L121-I126 VanDerWaalsContact O-O 3.08Å; L121-H128 HydrophobicContact CD1-CB 4.18Å; L121-L146 HydrophobicContact CD1-CD2 3.82Å; L121-F149 HydrophobicContact CD1-CE1 4.05Å; L121-F149 HydrophobicContact CD2-CE1 3.87Å
122H98.3Very high97.7Very high2 Ų224.5 Ų24.51%0.00912%0.121CC..Hα-helixtrans-63.8-35.3-179-72.2-171.8000112.2V118 E119 L124 G125 I126 R156 Q187 D190V118-H122 VanDerWaalsContact CG1-CE1 3.45Å; V118-H122 WeakPolarHBondContact CG1-CE1 3.4Å; V118-H122 WeakPolarHBondContact CG1-NE2 3.33Å; V118-H122 WeakPolarHBondContact O-CB 3.27Å; V118-H122 PolarHBondContact O-CD2 2.94Å; V118-H122 VanDerWaalsContact O-CG 3.29Å; V118-H122 PolarHBondContact O-N 3.08Å; E119-H122 PolarHBondContact O-N 2.79Å; H122-L124 VanDerWaalsContact C-N 3.31Å; H122-L124 PolarHBondContact O-N 3.49Å; H122-G125 PolarHBondContact O-N 2.85Å; H122-I126 PolarHBondContact CD2-O 3.34Å; H122-I126 PolarHBondContact N-O 3.3Å; H122-R156 PolarHBondContact O-NH1 3.4Å; H122-Q187 HydrophobicContact CB-CG 4.36Å; H122-Q187 VanDerWaalsContact CE1-CA 3.48Å; H122-Q187 WeakPolarHBondContact CE1-CA 3.4Å; H122-Q187 PolarHBondContact ND1-NE2 3.42Å; H122-D190 IonicContact CD2-OD2 3.25Å; H122-D190 IonicContact CE1-OD2 3.48Å; H122-D190 IonicContact NE2-OD2 2.88Å; H122-D190 PolarHBondContact NE2-OD2 3.48Å
123N97.6Very high97.3Very high119 Ų11920.2 Ų20.264%0.63610%0.103SC*.Hα-helixtrans-66.3-32.4174.7-72.7-21.3000112.5E119 Y120 L121 G125E119-N123 WeakPolarHBondContact O-CB 3.16Å; E119-N123 VanDerWaalsContact O-CG 3.23Å; E119-N123 PolarHBondContact O-N 2.95Å; E119-N123 PolarHBondContact O-ND2 3.4Å; Y120-N123 PolarHBondContact O-N 2.74Å; L121-N123 VanDerWaalsContact C-N 3.29Å; L121-N123 PolarHBondContact O-N 3.47Å; N123-G125 PolarHBondContact O-N 3.04Å
124L97.4Very high96.8Very high65 Ų6520 Ų2034%0.3410%0.102SC..THydrogen-bonded Turntrans-79.1-2171-65.7-179.6000113.6L62 Y120 L121 H122 I126L62-L124 HydrophobicContact CD2-CD1 3.79Å; Y120-L124 HydrophobicContact CD1-CD1 4.35Å; Y120-L124 HydrophobicContact CE1-CD1 3.64Å; Y120-L124 HydrophobicContact CE2-CD1 4.23Å; Y120-L124 PolarHBondContact O-N 3.39Å; L121-L124 CarbonylContact O-C 3.56Å; L121-L124 PolarHBondContact O-N 2.9Å; L121-L124 VanDerWaalsContact O-N 3.09Å; H122-L124 VanDerWaalsContact C-N 3.31Å; H122-L124 PolarHBondContact O-N 3.49Å; L124-I126 VanDerWaalsContact C-N 3.35Å; L124-I126 HydrophobicContact CB-CD1 3.84Å; L124-I126 HydrophobicContact CB-CG1 4.24Å; L124-I126 HydrophobicContact CD1-CD1 4.28Å
125G97.5Very high96.5Very high1 Ų119.9 Ų19.91%0.0110%0.102CC..THydrogen-bonded Turntrans75.423.4-176.600000114L121 H122 N123 M154 F155 R156L121-G125 PolarHBondContact O-N 3.5Å; H122-G125 PolarHBondContact O-N 2.85Å; N123-G125 PolarHBondContact O-N 3.04Å; G125-M154 CarbonylContact O-C 3.54Å; G125-M154 VanDerWaalsContact O-CA 3.26Å; G125-M154 WeakPolarHBondContact O-CA 3.49Å; G125-F155 VanDerWaalsContact C-CD1 3.42Å; G125-F155 WeakPolarHBondContact O-CD1 3.35Å; G125-F155 PolarHBondContact O-N 2.85Å; G125-R156 PolarHBondContact O-N 3.12Å; G125-R156 VanDerWaalsContact O-N 3.14Å
126I97.8Very high96.4Very high0 Ų019.9 Ų19.90%010%0.101CC..EExtended strand (participates in β ladder)trans-110.9138.8-177.5-62163.4000109.4I58 L62 L121 H122 L124 A152 T153 M154 F155I58-I126 HydrophobicContact CG2-CD1 4.29Å; I58-I126 HydrophobicContact CG2-CG2 4.03Å; L62-I126 HydrophobicContact CD2-CD1 3.87Å; L121-I126 CarbonylContact C-O 3.51Å; L121-I126 HydrophobicContact CB-CB 4.47Å; L121-I126 HydrophobicContact CD2-CB 4.43Å; L121-I126 HydrophobicContact CD2-CG2 4.12Å; L121-I126 PolarHBondContact O-N 2.9Å; L121-I126 VanDerWaalsContact O-O 3.08Å; H122-I126 PolarHBondContact CD2-O 3.34Å; H122-I126 PolarHBondContact N-O 3.3Å; L124-I126 VanDerWaalsContact C-N 3.35Å; L124-I126 HydrophobicContact CB-CD1 3.84Å; L124-I126 HydrophobicContact CB-CG1 4.24Å; L124-I126 HydrophobicContact CD1-CD1 4.28Å; I126-A152 HydrophobicContact CG2-CB 4.42Å; I126-T153 WeakPolarHBondContact CA-O 3.4Å; I126-M154 HydrophobicContact CG1-CG 4.31Å; I126-F155 WeakPolarHBondContact O-CE1 3.33Å
127T97.8Very high96.2Very high1 Ų118.3 Ų18.31%0.0069%0.088CC..EExtended strand (participates in β ladder)trans-116.1146.2169.6175.20000110.2R129 A152 T153 F155 L164 A186 D190T127-R129 HydrophobicContact CG2-CG 3.71Å; T127-R129 WeakPolarHBondContact OG1-CG 3.35Å; T127-A152 WeakPolarHBondContact O-CA 3.44Å; T127-A152 WeakPolarHBondContact O-CB 3.27Å; T127-T153 HydrophobicContact CG2-CG2 3.59Å; T127-T153 WeakPolarHBondContact CG2-O 3.4Å; T127-T153 PolarHBondContact N-O 3.48Å; T127-T153 PolarHBondContact O-N 2.81Å; T127-F155 HydrophobicContact CG2-CD1 4.22Å; T127-L164 HydrophobicContact CG2-CD1 3.73Å; T127-A186 HydrophobicContact CG2-CB 3.79Å; T127-D190 WeakPolarHBondContact CA-OD2 3.49Å; T127-D190 WeakPolarHBondContact CB-OD2 3.45Å; T127-D190 PolarHBondContact OG1-OD1 2.77Å; T127-D190 PolarHBondContact OG1-OD2 3.1Å
128H97.4Very high95.9Very high0 Ų018.3 Ų18.30%09%0.088CC..  trans-84.2-47.4-176.7-171.7-86000112.3L121 D130 I131 T147 D148 F149 L151 D190L121-H128 HydrophobicContact CD1-CB 4.18Å; H128-D130 PolarHBondContact CE1-O 3.43Å; H128-D130 VanDerWaalsContact CE1-O 3.29Å; H128-D130 VanDerWaalsContact ND1-C 3.26Å; H128-D130 PolarHBondContact ND1-N 3.09Å; H128-D130 PolarHBondContact ND1-O 2.8Å; H128-D130 PolarHBondContact O-N 2.93Å; H128-D130 VanDerWaalsContact O-N 3.14Å; H128-I131 HydrophobicContact CB-CD1 4.08Å; H128-I131 HydrophobicContact CB-CG1 3.74Å; H128-I131 PolarHBondContact ND1-N 3.38Å; H128-T147 PolarHBondContact NE2-O 3.22Å; H128-D148 PolarHBondContact NE2-O 2.8Å; H128-F149 AromaticContact CD2-CD1 3.91Å; H128-F149 AromaticContact CD2-CE1 3.75Å; H128-L151 CarbonylContact O-C 3.56Å; H128-D190 PolarHBondContact N-OD2 2.92Å; H128-D190 VanDerWaalsContact N-OD2 3.16Å
129R95.1Very high95.3Very high35 Ų3519.3 Ų19.313%0.1329%0.094CC..SBendtrans67.2-5.5177.6-49.6-167.8-63.6162.93.5118T127 L151 C168 G169 D190T127-R129 HydrophobicContact CG2-CG 3.71Å; T127-R129 WeakPolarHBondContact OG1-CG 3.35Å; R129-L151 PolarHBondContact NE-O 2.91Å; R129-L151 PolarHBondContact NH2-O 2.92Å; R129-C168 PolarHBondContact NH1-SG 3.08Å; R129-G169 WeakPolarHBondContact O-CA 3.13Å; R129-D190 PolarHBondContact N-OD1 3.49Å
130D94.1Very high94.5Very high10 Ų1021.6 Ų21.65%0.05311%0.108CC..  trans-135.548.3170.9-159.936.3000112.2H128 K132 N135 L151 G169 T170H128-D130 PolarHBondContact CE1-O 3.43Å; H128-D130 VanDerWaalsContact CE1-O 3.29Å; H128-D130 VanDerWaalsContact ND1-C 3.26Å; H128-D130 PolarHBondContact ND1-N 3.09Å; H128-D130 PolarHBondContact ND1-O 2.8Å; H128-D130 PolarHBondContact O-N 2.93Å; H128-D130 VanDerWaalsContact O-N 3.14Å; D130-K132 PolarHBondContact O-N 3.29Å; D130-K132 IonicContact OD1-NZ 2.64Å; D130-K132 WeakPolarHBondContact OD2-CE 3.15Å; D130-K132 IonicContact OD2-NZ 2.77Å; D130-K132 PolarHBondContact OD2-NZ 2.94Å; D130-K132 VanDerWaalsContact OD2-NZ 3.08Å; D130-N135 PolarHBondContact O-ND2 2.94Å; D130-N135 PolarHBondContact OD2-ND2 3.13Å; D130-L151 HydrophobicContact CB-CB 4.43Å; D130-L151 HydrophobicContact CB-CD1 3.83Å; D130-G169 WeakPolarHBondContact OD1-CA 3.34Å; D130-T170 PolarHBondContact OD1-N 3.43Å; D130-T170 VanDerWaalsContact OD1-N 3.13Å; D130-T170 PolarHBondContact OD1-OG1 3.37Å
131I97.8Very high93.9Very high1 Ų125.8 Ų25.81%0.00513%0.127CC..  trans-74.5116.3176.8-60.5173.3000108.8L114 V118 H128 I136 D190 A193 V197L114-I131 HydrophobicContact CD1-CG2 4.11Å; L114-I131 HydrophobicContact CD2-CG2 4.44Å; V118-I131 HydrophobicContact CG2-CD1 3.68Å; H128-I131 HydrophobicContact CB-CD1 4.08Å; H128-I131 HydrophobicContact CB-CG1 3.74Å; H128-I131 PolarHBondContact ND1-N 3.38Å; I131-I136 HydrophobicContact CG2-CD1 4.47Å; I131-D190 HydrophobicContact CD1-CB 3.8Å; I131-A193 HydrophobicContact CB-CB 3.89Å; I131-A193 HydrophobicContact CG2-CB 4.42Å; I131-V197 HydrophobicContact CG2-CG2 4.07Å
132K93.4Very high93.5Very high9 Ų928.7 Ų28.74%0.03914%0.143CC..SBendtrans-160.5161.7178.159.4-177.1166.7-179.80109.9D130 E134 N135 I136 T170 Y173 S322D130-K132 PolarHBondContact O-N 3.29Å; D130-K132 IonicContact OD1-NZ 2.64Å; D130-K132 WeakPolarHBondContact OD2-CE 3.15Å; D130-K132 IonicContact OD2-NZ 2.77Å; D130-K132 PolarHBondContact OD2-NZ 2.94Å; D130-K132 VanDerWaalsContact OD2-NZ 3.08Å; K132-E134 WeakPolarHBondContact CB-OE2 3.38Å; K132-E134 HydrophobicContact CD-CB 4.43Å; K132-E134 WeakPolarHBondContact CD-OE2 3.48Å; K132-E134 HydrophobicContact CG-CB 4.33Å; K132-E134 VanDerWaalsContact CG-OE2 3.27Å; K132-E134 WeakPolarHBondContact CG-OE2 3.4Å; K132-E134 PolarHBondContact O-N 2.78Å; K132-E134 VanDerWaalsContact O-N 3.12Å; K132-N135 WeakPolarHBondContact CE-ND2 3.44Å; K132-N135 HydrophobicContact CG-CB 4.24Å; K132-N135 PolarHBondContact O-N 3.18Å; K132-I136 WeakPolarHBondContact O-CG1 3.45Å; K132-I136 PolarHBondContact O-N 3.46Å; K132-T170 HydrophobicContact CD-CG2 4.39Å; K132-T170 WeakPolarHBondContact CD-OG1 3.4Å; K132-T170 WeakPolarHBondContact CE-OG1 3.47Å; K132-T170 PolarHBondContact NZ-OG1 3.32Å; K132-Y173 HydrophobicContact CB-CD1 3.92Å; K132-Y173 HydrophobicContact CB-CD2 3.94Å; K132-Y173 HydrophobicContact CB-CE1 3.75Å; K132-Y173 HydrophobicContact CB-CE2 3.73Å; K132-Y173 HydrophobicContact CB-CG 4.02Å; K132-S322 WeakPolarHBondContact CE-OG 3.36Å; K132-S322 PolarHBondContact NZ-OG 3Å
133P91.3Very high93.4Very high1 Ų130.9 Ų30.91%0.00615%0.154CC..G310 helixtrans-58.1-26.1-175.8-2536.7000114.9L92 F93 I96 I136 Y173 V197 A200L92-P133 HydrophobicContact CB-CB 4.49Å; L92-P133 HydrophobicContact CD2-CB 4.49Å; F93-P133 HydrophobicContact CB-CB 3.87Å; F93-P133 HydrophobicContact CD2-CB 4.22Å; F93-P133 PolarHBondContact N-O 2.89Å; F93-P133 VanDerWaalsContact N-O 3.15Å; I96-P133 HydrophobicContact CD1-CB 3.79Å; I96-P133 HydrophobicContact CD1-CG 3.75Å; P133-I136 PolarHBondContact O-N 2.98Å; P133-I136 VanDerWaalsContact O-O 3.06Å; P133-Y173 WeakPolarHBondContact CD-OH 3.37Å; P133-V197 HydrophobicContact CG-CG2 4.43Å; P133-A200 HydrophobicContact CG-CB 4.46Å
134E86.8Confident93.4Very high32 Ų3225.2 Ų25.215%0.1512%0.124CC..G310 helixtrans-70.2-35.5176.6-58.690.2150.600111.6F93 K132 I136 S324F93-E134 HydrophobicContact CB-CG 4.17Å; F93-E134 HydrophobicContact CD2-CG 4.27Å; F93-E134 HydrophobicContact CG-CG 4.13Å; K132-E134 WeakPolarHBondContact CB-OE2 3.38Å; K132-E134 HydrophobicContact CD-CB 4.43Å; K132-E134 WeakPolarHBondContact CD-OE2 3.48Å; K132-E134 HydrophobicContact CG-CB 4.33Å; K132-E134 VanDerWaalsContact CG-OE2 3.27Å; K132-E134 WeakPolarHBondContact CG-OE2 3.4Å; K132-E134 PolarHBondContact O-N 2.78Å; K132-E134 VanDerWaalsContact O-N 3.12Å; E134-I136 PolarHBondContact O-N 2.99Å; E134-S324 WeakPolarHBondContact O-CB 3.4Å
135N93.4Very high93.4Very high0 Ų023 Ų230%011%0.112CC..G310 helixtrans-89.814.9176.8-70.5-13.4000112.6D130 K132 T147 D148 S322D130-N135 PolarHBondContact O-ND2 2.94Å; D130-N135 PolarHBondContact OD2-ND2 3.13Å; K132-N135 WeakPolarHBondContact CE-ND2 3.44Å; K132-N135 HydrophobicContact CG-CB 4.24Å; K132-N135 PolarHBondContact O-N 3.18Å; N135-T147 WeakPolarHBondContact O-CG2 3.5Å; N135-T147 PolarHBondContact O-N 3.37Å; N135-D148 HydrophobicContact CB-CB 4.44Å; N135-D148 PolarHBondContact OD1-OD2 3.27Å; N135-S322 PolarHBondContact OD1-OG 3.3Å
136I96.3Very high93.4Very high0 Ų023 Ų230%011%0.111CC..EExtended strand (participates in β ladder)trans-121.2115.2175.9-63.2168.7000107.5L92 L114 I131 K132 P133 E134 L144 L146 V197L92-I136 HydrophobicContact CB-CB 4Å; L92-I136 HydrophobicContact CB-CG2 3.88Å; L92-I136 WeakPolarHBondContact CB-O 3.42Å; L92-I136 HydrophobicContact CD2-CB 4.21Å; L92-I136 HydrophobicContact CD2-CD1 4.14Å; L92-I136 HydrophobicContact CD2-CG2 3.91Å; L92-I136 HydrophobicContact CG-CG2 4.49Å; L92-I136 PolarHBondContact N-O 2.76Å; L114-I136 HydrophobicContact CD1-CD1 4.02Å; L114-I136 HydrophobicContact CD2-CD1 4.25Å; I131-I136 HydrophobicContact CG2-CD1 4.47Å; K132-I136 WeakPolarHBondContact O-CG1 3.45Å; K132-I136 PolarHBondContact O-N 3.46Å; P133-I136 PolarHBondContact O-N 2.98Å; P133-I136 VanDerWaalsContact O-O 3.06Å; E134-I136 PolarHBondContact O-N 2.99Å; I136-L144 HydrophobicContact CG2-CD1 3.43Å; I136-L144 VanDerWaalsContact CG2-CD1 3.43Å; I136-L144 HydrophobicContact CG2-CD2 4.04Å; I136-L144 HydrophobicContact CG2-CG 3.39Å; I136-L146 HydrophobicContact CG1-CD1 4Å; I136-V197 HydrophobicContact CD1-CG1 3.91Å; I136-V197 HydrophobicContact CD1-CG2 4.22Å
137L93.6Very high93.3Very high0 Ų023.1 Ų23.10%011%0.112CC..EExtended strand (participates in β ladder)trans-101.4171.7178.4-50.8-179.8000111.1V68 C87 G90 E91 L144 K145 T147 Q325V68-L137 HydrophobicContact CG2-CD1 4.1Å; C87-L137 HydrophobicContact CB-CB 3.61Å; C87-L137 HydrophobicContact CB-CD1 3.82Å; C87-L137 HydrophobicContact CB-CG 4.35Å; G90-L137 CarbonylContact O-C 3.38Å; G90-L137 WeakPolarHBondContact O-CA 3.46Å; E91-L137 HydrophobicContact CB-CD2 4.47Å; E91-L137 HydrophobicContact CG-CD2 3.82Å; L137-L144 CarbonylContact O-C 3.49Å; L137-L144 WeakPolarHBondContact O-CA 3.22Å; L137-K145 HydrophobicContact CB-CB 4.18Å; L137-K145 PolarHBondContact N-O 2.9Å; L137-K145 PolarHBondContact O-N 2.96Å; L137-T147 HydrophobicContact CD1-CG2 3.9Å; L137-T147 HydrophobicContact CD2-CG2 4.32Å; L137-T147 HydrophobicContact CG-CG2 3.77Å; L137-Q325 HydrophobicContact CD1-CB 3.9Å; L137-Q325 HydrophobicContact CD1-CG 3.83Å; L137-Q325 HydrophobicContact CD2-CB 4.31Å
138L92.6Very high92.9Very high0 Ų023.7 Ų23.70%012%0.115CC..EExtended strand (participates in β ladder)trans-126.9139.7175.7-62.6174000109.7C87 G89 G90 L92 R95 F110 N143C87-L138 CarbonylContact C-O 3.47Å; C87-L138 WeakPolarHBondContact CB-O 3.45Å; G89-L138 CarbonylContact C-O 3.57Å; G89-L138 WeakPolarHBondContact CA-O 3.36Å; G89-L138 PolarHBondContact N-O 2.81Å; G90-L138 PolarHBondContact N-O 2.84Å; G90-L138 PolarHBondContact O-N 3.08Å; L92-L138 HydrophobicContact CD1-CD1 4.41Å; R95-L138 HydrophobicContact CG-CD1 3.59Å; F110-L138 HydrophobicContact CD1-CD2 3.89Å; F110-L138 HydrophobicContact CE1-CD1 4.43Å; F110-L138 HydrophobicContact CE1-CD2 3.45Å; F110-L138 VanDerWaalsContact CE1-CD2 3.45Å; F110-L138 HydrophobicContact CZ-CD1 4.1Å; F110-L138 HydrophobicContact CZ-CD2 3.94Å; L138-N143 CarbonylContact C-O 3.58Å; L138-N143 VanDerWaalsContact CA-O 3.31Å; L138-N143 WeakPolarHBondContact CA-O 3.48Å
139D86.8Confident92.7Very high21 Ų2123.7 Ų23.711%0.11212%0.115CC..  trans-81.5-173.2169.673.48.2000112.1G89 K141 D142 N143G89-D139 WeakPolarHBondContact CA-O 3.34Å; D139-K141 PolarHBondContact O-N 2.61Å; D139-K141 WeakPolarHBondContact OD1-CA 3.28Å; D139-K141 PolarHBondContact OD1-N 2.91Å; D139-D142 PolarHBondContact O-N 2.89Å; D139-D142 PolarHBondContact OD1-N 3.46Å; D139-N143 PolarHBondContact N-O 2.83Å; D139-N143 WeakPolarHBondContact OD1-CB 3.47Å; D139-N143 PolarHBondContact OD1-N 2.94Å; D139-N143 PolarHBondContact OD1-ND2 3.26Å; D139-N143 WeakPolarHBondContact OD2-CB 3.48Å; D139-N143 PolarHBondContact OD2-ND2 3.44Å
140D82.4Confident92.4Very high104 Ų10423.3 Ų23.356%0.55612%0.122SC*.THydrogen-bonded Turntrans-63.3-17.9179.565.1-42.6000113.9T88T88-D140 WeakPolarHBondContact OG1-CA 3.4Å; T88-D140 WeakPolarHBondContact OG1-CB 3.2Å; T88-D140 PolarHBondContact OG1-N 3.06Å
141K85.9Confident92.2Very high141 Ų14125 Ų2561%0.61313%0.131SC*.THydrogen-bonded Turntrans-110.216.2-177.8-64.6169.6-168.3172.40112K109 D139 N143K109-K141 PolarHBondContact NZ-O 3.23Å; D139-K141 PolarHBondContact O-N 2.61Å; D139-K141 WeakPolarHBondContact OD1-CA 3.28Å; D139-K141 PolarHBondContact OD1-N 2.91Å; K141-N143 VanDerWaalsContact C-N 3.27Å; K141-N143 PolarHBondContact O-N 3.16Å
142D90.4Very high92Very high61 Ų6125.1 Ų25.133%0.32613%0.131SC..  trans5344.1-173.6-70-39.6000111.9R95 K109 F110 D139R95-D142 IonicContact CZ-OD1 3.89Å; R95-D142 VanDerWaalsContact CZ-OD1 3.22Å; R95-D142 IonicContact NH1-OD1 2.69Å; R95-D142 PolarHBondContact NH1-OD1 3.38Å; R95-D142 IonicContact NH1-OD2 3.64Å; R95-D142 IonicContact NH2-OD1 3.98Å; R95-D142 PolarHBondContact NH2-OD1 2.64Å; K109-D142 VanDerWaalsContact CE-O 3.31Å; K109-D142 WeakPolarHBondContact CE-O 3.38Å; K109-D142 PolarHBondContact NZ-O 3.17Å; F110-D142 HydrophobicContact CE1-CB 4.3Å; F110-D142 WeakPolarHBondContact CE1-O 3.41Å; F110-D142 HydrophobicContact CZ-CB 4.43Å; D139-D142 PolarHBondContact O-N 2.89Å; D139-D142 PolarHBondContact OD1-N 3.46Å
143N95.3Very high92Very high47 Ų4724.9 Ų24.925%0.25113%0.131SC..  trans-93.7135.5164.8-52.6-59.3000109.8Q113 L138 D139 K141Q113-N143 PolarHBondContact NE2-OD1 3.05Å; L138-N143 CarbonylContact C-O 3.58Å; L138-N143 VanDerWaalsContact CA-O 3.31Å; L138-N143 WeakPolarHBondContact CA-O 3.48Å; D139-N143 PolarHBondContact N-O 2.83Å; D139-N143 WeakPolarHBondContact OD1-CB 3.47Å; D139-N143 PolarHBondContact OD1-N 2.94Å; D139-N143 PolarHBondContact OD1-ND2 3.26Å; D139-N143 WeakPolarHBondContact OD2-CB 3.48Å; D139-N143 PolarHBondContact OD2-ND2 3.44Å; K141-N143 VanDerWaalsContact C-N 3.27Å; K141-N143 PolarHBondContact O-N 3.16Å
144L97.8Very high92.2Very high1 Ų127.6 Ų27.61%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-61.5136.3176.8-175148.5000111.6S66 F110 Q113 L114 I136 L137 L146S66-L144 WeakPolarHBondContact CA-O 3.48Å; S66-L144 WeakPolarHBondContact CB-O 3.4Å; F110-L144 HydrophobicContact CB-CD1 4.21Å; F110-L144 WeakPolarHBondContact O-CD1 3.34Å; Q113-L144 HydrophobicContact CB-CB 3.67Å; Q113-L144 HydrophobicContact CB-CG 4.44Å; Q113-L144 VanDerWaalsContact OE1-CB 3.27Å; L114-L144 HydrophobicContact CB-CD1 3.82Å; I136-L144 HydrophobicContact CG2-CD1 3.43Å; I136-L144 VanDerWaalsContact CG2-CD1 3.43Å; I136-L144 HydrophobicContact CG2-CD2 4.04Å; I136-L144 HydrophobicContact CG2-CG 3.39Å; L137-L144 CarbonylContact O-C 3.49Å; L137-L144 WeakPolarHBondContact O-CA 3.22Å; L144-L146 HydrophobicContact CD2-CB 4.48Å
145K98Very high92.6Very high18 Ų1826.3 Ų26.38%0.07814%0.138CC..EExtended strand (participates in β ladder)trans-132.7101.9175.8-66-73.2-171.9161.50109.5P65 V68 E85 L137P65-K145 VanDerWaalsContact O-CD 3.29Å; P65-K145 WeakPolarHBondContact O-CD 3.46Å; P65-K145 WeakPolarHBondContact O-CE 3.49Å; P65-K145 PolarHBondContact O-NZ 3.35Å; V68-K145 HydrophobicContact CG2-CB 3.83Å; E85-K145 VanDerWaalsContact CD-NZ 3.28Å; E85-K145 VanDerWaalsContact OE1-CE 3.26Å; E85-K145 WeakPolarHBondContact OE1-CE 3.38Å; E85-K145 IonicContact OE1-NZ 3.12Å; E85-K145 PolarHBondContact OE1-NZ 3.21Å; E85-K145 IonicContact OE2-NZ 3.89Å; E85-K145 PolarHBondContact OE2-NZ 3.29Å; L137-K145 HydrophobicContact CB-CB 4.18Å; L137-K145 PolarHBondContact N-O 2.9Å; L137-K145 PolarHBondContact O-N 2.96Å
146L98.4Very high92.7Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-68.7134.1174.5-174.466.7000109.9S66 I67 V68 L114 A117 L121 I136 L144S66-L146 PolarHBondContact O-N 2.78Å; I67-L146 HydrophobicContact CG1-CB 4.4Å; V68-L146 PolarHBondContact N-O 2.88Å; L114-L146 HydrophobicContact CD1-CD1 4.5Å; A117-L146 HydrophobicContact CB-CB 4.39Å; A117-L146 HydrophobicContact CB-CD2 4.32Å; L121-L146 HydrophobicContact CD1-CD2 3.82Å; I136-L146 HydrophobicContact CG1-CD1 4Å; L144-L146 HydrophobicContact CD2-CB 4.48Å
147T95Very high92.4Very high4 Ų432.8 Ų32.83%0.02517%0.165CC..  trans-135.7175.4-176.3-165.40000111.7H128 N135 L137H128-T147 PolarHBondContact NE2-O 3.22Å; N135-T147 WeakPolarHBondContact O-CG2 3.5Å; N135-T147 PolarHBondContact O-N 3.37Å; L137-T147 HydrophobicContact CD1-CG2 3.9Å; L137-T147 HydrophobicContact CD2-CG2 4.32Å; L137-T147 HydrophobicContact CG-CG2 3.77Å
148D90.1Very high92.3Very high12 Ų1241 Ų416%0.06420%0.2CC..  trans68.274.7172.4-160.312.1000115.2K38 H128 N135 G150 F323K38-D148 IonicContact NZ-OD1 2.89Å; K38-D148 PolarHBondContact NZ-OD1 3.09Å; H128-D148 PolarHBondContact NE2-O 2.8Å; N135-D148 HydrophobicContact CB-CB 4.44Å; N135-D148 PolarHBondContact OD1-OD2 3.27Å; D148-G150 PolarHBondContact O-N 3.41Å; D148-F323 WeakPolarHBondContact OD1-CD2 3.25Å; D148-F323 WeakPolarHBondContact OD2-CB 3.23Å; D148-F323 WeakPolarHBondContact OD2-CD2 3.44Å; D148-F323 PolarHBondContact OD2-N 3.36Å
149F93.2Very high92.1Very high1 Ų144.2 Ų44.20%0.00423%0.234CC..G310 helixtrans-85.315.3-179.7-64.3-84.5000113.8E55 I58 H59 L62 I67 L121 H128 L151 A152E55-F149 HydrophobicContact CG-CB 4.25Å; I58-F149 HydrophobicContact CG2-CB 4.39Å; I58-F149 HydrophobicContact CG2-CD1 4.24Å; H59-F149 HydrophobicContact CB-CD2 4.39Å; H59-F149 AromaticContact CD2-CD2 3.86Å; H59-F149 AromaticContact CD2-CE2 3.88Å; H59-F149 AromaticContact CE1-CD2 3.82Å; H59-F149 AromaticContact CG-CD2 3.8Å; H59-F149 AromaticContact ND1-CD2 3.79Å; H59-F149 AromaticContact NE2-CD2 3.89Å; H59-F149 AromaticContact NE2-CE2 3.72Å; L62-F149 HydrophobicContact CD1-CD1 3.75Å; L62-F149 HydrophobicContact CD1-CD2 4.13Å; L62-F149 HydrophobicContact CD1-CE1 3.31Å; L62-F149 HydrophobicContact CD1-CE2 3.74Å; L62-F149 HydrophobicContact CD1-CG 4.15Å; L62-F149 HydrophobicContact CD1-CZ 3.32Å; I67-F149 HydrophobicContact CD1-CZ 4.5Å; I67-F149 HydrophobicContact CG2-CE2 3.82Å; I67-F149 HydrophobicContact CG2-CZ 3.61Å; L121-F149 HydrophobicContact CD1-CE1 4.05Å; L121-F149 HydrophobicContact CD2-CE1 3.87Å; H128-F149 AromaticContact CD2-CD1 3.91Å; H128-F149 AromaticContact CD2-CE1 3.75Å; F149-L151 PolarHBondContact O-N 3.07Å; F149-A152 HydrophobicContact CB-CB 3.92Å; F149-A152 HydrophobicContact CD1-CB 3.91Å; F149-A152 HydrophobicContact CG-CB 4.44Å; F149-A152 VanDerWaalsContact O-CB 3.28Å; F149-A152 WeakPolarHBondContact O-CB 3.44Å; F149-A152 PolarHBondContact O-N 2.82Å
150G88.5Confident92.3Very high26 Ų2652.9 Ų52.927%0.26827%0.265SS..G310 helixtrans-60.5-29-178.200000113.8D148D148-G150 PolarHBondContact O-N 3.41Å
151L89.1Confident92.9Very high47 Ų4752.7 Ų52.725%0.24626%0.261CS..G310 helixtrans-99.1-0.8174-65.8-179000113.4H128 R129 D130 F149 C168H128-L151 CarbonylContact O-C 3.56Å; R129-L151 PolarHBondContact NE-O 2.91Å; R129-L151 PolarHBondContact NH2-O 2.92Å; D130-L151 HydrophobicContact CB-CB 4.43Å; D130-L151 HydrophobicContact CB-CD1 3.83Å; F149-L151 PolarHBondContact O-N 3.07Å; L151-C168 HydrophobicContact CD1-CB 4.26Å; L151-C168 HydrophobicContact CD2-CB 4.28Å
152A93.8Very high93.2Very high2 Ų250.1 Ų50.12%0.01725%0.247CC..  trans-66.6152.5-177.500000112.2K54 I58 I126 T127 F149K54-A152 VanDerWaalsContact CE-O 3.25Å; K54-A152 WeakPolarHBondContact CE-O 3.29Å; K54-A152 PolarHBondContact NZ-O 3.05Å; I58-A152 HydrophobicContact CD1-CB 3.94Å; I58-A152 WeakPolarHBondContact CD1-O 3.42Å; I58-A152 HydrophobicContact CG2-CB 4.14Å; I126-A152 HydrophobicContact CG2-CB 4.42Å; T127-A152 WeakPolarHBondContact O-CA 3.44Å; T127-A152 WeakPolarHBondContact O-CB 3.27Å; F149-A152 HydrophobicContact CB-CB 3.92Å; F149-A152 HydrophobicContact CD1-CB 3.91Å; F149-A152 HydrophobicContact CG-CB 4.44Å; F149-A152 VanDerWaalsContact O-CB 3.28Å; F149-A152 WeakPolarHBondContact O-CB 3.44Å; F149-A152 PolarHBondContact O-N 2.82Å
153T93.7Very high93.4Very high5 Ų549.4 Ų49.43%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-151.9154.4175.6-1680000112.4K54 I126 T127 R162 L164K54-T153 WeakPolarHBondContact CE-OG1 3.25Å; K54-T153 PolarHBondContact NZ-OG1 3.01Å; I126-T153 WeakPolarHBondContact CA-O 3.4Å; T127-T153 HydrophobicContact CG2-CG2 3.59Å; T127-T153 WeakPolarHBondContact CG2-O 3.4Å; T127-T153 PolarHBondContact N-O 3.48Å; T127-T153 PolarHBondContact O-N 2.81Å; T153-R162 PolarHBondContact OG1-NH2 3.02Å; T153-L164 HydrophobicContact CG2-CD1 3.98Å; T153-L164 HydrophobicContact CG2-CD2 3.91Å
154M94.6Very high93.3Very high58 Ų5847.2 Ų47.229%0.28623%0.234SC..EExtended strand (participates in β ladder)trans-75.5128.7167.2-59-169.175.700110.2G125 I126 F157 R162G125-M154 CarbonylContact O-C 3.54Å; G125-M154 VanDerWaalsContact O-CA 3.26Å; G125-M154 WeakPolarHBondContact O-CA 3.49Å; I126-M154 HydrophobicContact CG1-CG 4.31Å; M154-F157 HydrophobicContact CE-CB 4.46Å; M154-F157 HydrophobicContact CE-CD2 3.84Å; M154-R162 PolarHBondContact O-NE 2.83Å; M154-R162 VanDerWaalsContact O-NE 3.1Å; M154-R162 PolarHBondContact O-NH2 3.19Å
155F95.3Very high92.8Very high4 Ų452.6 Ų52.62%0.01826%0.263CS..  trans-110.4-18.8170.174.3-89.9000111.9G125 I126 T127 E161 R162 L164 A186 Q187G125-F155 VanDerWaalsContact C-CD1 3.42Å; G125-F155 WeakPolarHBondContact O-CD1 3.35Å; G125-F155 PolarHBondContact O-N 2.85Å; I126-F155 WeakPolarHBondContact O-CE1 3.33Å; T127-F155 HydrophobicContact CG2-CD1 4.22Å; F155-E161 HydrophobicContact CD2-CG 4.45Å; F155-E161 CarbonylContact O-C 3.54Å; F155-E161 VanDerWaalsContact O-CA 3.29Å; F155-E161 WeakPolarHBondContact O-CA 3.42Å; F155-R162 PolarHBondContact O-N 2.81Å; F155-L164 HydrophobicContact CB-CD2 4.37Å; F155-A186 HydrophobicContact CB-CB 3.58Å; F155-A186 HydrophobicContact CD1-CB 3.7Å; F155-A186 HydrophobicContact CD2-CB 4.03Å; F155-A186 HydrophobicContact CE1-CB 4.39Å; F155-A186 HydrophobicContact CG-CB 3.5Å; F155-A186 VanDerWaalsContact CG-CB 3.5Å; F155-Q187 HydrophobicContact CE1-CG 4.16Å; F155-Q187 HydrophobicContact CE2-CG 3.75Å; F155-Q187 HydrophobicContact CZ-CG 3.46Å; F155-Q187 VanDerWaalsContact CZ-CG 3.46Å
156R96.1Very high92.2Very high56 Ų5655.6 Ų55.621%0.21127%0.274CS..EExtended strand (participates in β ladder)trans-127.7132.4175.3-169.3-172.9-63.3122.90.1110.7H122 G125 R160 E161H122-R156 PolarHBondContact O-NH1 3.4Å; G125-R156 PolarHBondContact O-N 3.12Å; G125-R156 VanDerWaalsContact O-N 3.14Å; R156-R160 CarbonylContact C-O 3.54Å; R156-R160 VanDerWaalsContact CA-O 3.3Å; R156-R160 WeakPolarHBondContact CA-O 3.36Å; R156-E161 HydrophobicContact CB-CG 3.94Å; R156-E161 HydrophobicContact CG-CG 3.72Å; R156-E161 IonicContact CZ-OE1 3.67Å; R156-E161 IonicContact NE-OE1 3.89Å; R156-E161 PolarHBondContact NE-OE1 3.48Å; R156-E161 IonicContact NH2-OE1 3.21Å; R156-E161 PolarHBondContact NH2-OE1 3.48Å
157F90.6Very high91.7Very high80 Ų8059.8 Ų59.835%0.35130%0.296SS..EExtended strand (participates in β ladder)trans-144.9132.7173-176-107.6000110.6M154 G159 R160 W308M154-F157 HydrophobicContact CE-CB 4.46Å; M154-F157 HydrophobicContact CE-CD2 3.84Å; F157-G159 PolarHBondContact O-N 3.1Å; F157-R160 PolarHBondContact N-O 3.46Å; F157-R160 PolarHBondContact O-N 2.82Å; F157-W308 AromaticContact CD1-CH2 3.3Å; F157-W308 HydrophobicContact CD1-CH2 3.3Å; F157-W308 AromaticContact CD1-CZ2 3.51Å; F157-W308 HydrophobicContact CD1-CZ2 3.51Å; F157-W308 HydrophobicContact CD1-CZ3 4.21Å; F157-W308 AromaticContact CE1-CE2 3.94Å; F157-W308 AromaticContact CE1-CH2 3.56Å; F157-W308 HydrophobicContact CE1-CH2 3.56Å; F157-W308 AromaticContact CE1-CZ2 3.23Å; F157-W308 HydrophobicContact CE1-CZ2 3.23Å; F157-W308 HydrophobicContact CE1-CZ3 4.49Å; F157-W308 HydrophobicContact CG-CH2 4.12Å; F157-W308 HydrophobicContact CZ-CZ2 4.18Å
158K90.5Very high91.1Very high172 Ų17259.9 Ų59.975%0.74830%0.297SS*.THydrogen-bonded Turntrans48.941.6-176.3-65.6179.4176.3-177.20113R160K158-R160 PolarHBondContact O-N 2.8Å
159G88.4Confident90.7Very high68 Ų6859.4 Ų59.470%0.70130%0.295SS*.THydrogen-bonded Turntrans74.2-2.4-179.500000115.5F157F157-G159 PolarHBondContact O-N 3.1Å
160R91.3Very high90.2Very high204 Ų20461 Ų6177%0.7731%0.305SS*.EExtended strand (participates in β ladder)trans-95.1124.9175.2-63-175.5-178.5-179.4-0.4110R156 F157 K158R156-R160 CarbonylContact C-O 3.54Å; R156-R160 VanDerWaalsContact CA-O 3.3Å; R156-R160 WeakPolarHBondContact CA-O 3.36Å; F157-R160 PolarHBondContact N-O 3.46Å; F157-R160 PolarHBondContact O-N 2.82Å; K158-R160 PolarHBondContact O-N 2.8Å
161E94.3Very high90.1Very high100 Ų10063.1 Ų63.147%0.46731%0.309SS..EExtended strand (participates in β ladder)trans-92.5148.6172.8-69.3179.4-160.600110.7F155 R156F155-E161 HydrophobicContact CD2-CG 4.45Å; F155-E161 CarbonylContact O-C 3.54Å; F155-E161 VanDerWaalsContact O-CA 3.29Å; F155-E161 WeakPolarHBondContact O-CA 3.42Å; R156-E161 HydrophobicContact CB-CG 3.94Å; R156-E161 HydrophobicContact CG-CG 3.72Å; R156-E161 IonicContact CZ-OE1 3.67Å; R156-E161 IonicContact NE-OE1 3.89Å; R156-E161 PolarHBondContact NE-OE1 3.48Å; R156-E161 IonicContact NH2-OE1 3.21Å; R156-E161 PolarHBondContact NH2-OE1 3.48Å
162R94.2Very high90.1Very high86 Ų8661.8 Ų61.833%0.32530%0.303SS..  trans-126.3141.5169.869.9179.3-173.688.81.9109.9T153 M154 F155T153-R162 PolarHBondContact OG1-NH2 3.02Å; M154-R162 PolarHBondContact O-NE 2.83Å; M154-R162 VanDerWaalsContact O-NE 3.1Å; M154-R162 PolarHBondContact O-NH2 3.19Å; F155-R162 PolarHBondContact O-N 2.81Å
163P92.9Very high90.1Very high46 Ų4662.3 Ų62.330%0.29931%0.305SS..  trans-66.3161.2166.429.4-33000110.7E183P163-E183 HydrophobicContact CB-CB 4.02Å; P163-E183 HydrophobicContact CB-CG 4.39Å; P163-E183 HydrophobicContact CG-CG 4.48Å; P163-E183 VanDerWaalsContact CG-OE2 3.29Å; P163-E183 WeakPolarHBondContact CG-OE2 3.49Å
164L93Very high90.1Very high2 Ų262.3 Ų62.31%0.0131%0.305CS..BIsolated β-bridgetrans-109.8146.5175-55.5-176.8000108.9T127 T153 F155 E183 Y184 A186T127-L164 HydrophobicContact CG2-CD1 3.73Å; T153-L164 HydrophobicContact CG2-CD1 3.98Å; T153-L164 HydrophobicContact CG2-CD2 3.91Å; F155-L164 HydrophobicContact CB-CD2 4.37Å; L164-E183 CarbonylContact O-C 3.58Å; L164-E183 VanDerWaalsContact O-CA 3.22Å; L164-E183 WeakPolarHBondContact O-CA 3.32Å; L164-Y184 HydrophobicContact CB-CD1 4.25Å; L164-Y184 HydrophobicContact CB-CD2 4.16Å; L164-Y184 HydrophobicContact CB-CE1 3.77Å; L164-Y184 HydrophobicContact CB-CE2 3.68Å; L164-Y184 HydrophobicContact CB-CG 4.43Å; L164-Y184 VanDerWaalsContact CB-CZ 3.46Å; L164-Y184 HydrophobicContact CD1-CE2 3.77Å; L164-Y184 HydrophobicContact CG-CE2 4.27Å; L164-Y184 PolarHBondContact N-O 3.4Å; L164-Y184 WeakPolarHBondContact O-CD1 3.49Å; L164-Y184 WeakPolarHBondContact O-CE1 3.46Å; L164-Y184 PolarHBondContact O-N 3.15Å; L164-A186 HydrophobicContact CD1-CB 3.69Å; L164-A186 HydrophobicContact CG-CB 4.29Å
165N88.1Confident90.2Very high114 Ų11459.6 Ų59.661%0.6129%0.292SS*.  trans-127.4-2.1-175.259.80.4000113.5Q182 E183N165-Q182 WeakPolarHBondContact CA-O 3.47Å; N165-Q182 WeakPolarHBondContact CB-O 3.28Å; N165-E183 HydrophobicContact CB-CG 4.14Å
166R85.9Confident90.2Very high80 Ų8060 Ų6030%0.30230%0.295SS..  trans-97.2119.8-178.7-176.5173.5175.9-179.4-0.2110.4C168 Y184R166-C168 PolarHBondContact O-N 2.81Å; R166-Y184 WeakPolarHBondContact O-CE1 3.35Å; R166-Y184 PolarHBondContact O-OH 3.12Å
167L86.6Confident90.2Very high89 Ų8957.4 Ų57.447%0.46629%0.285SS..  trans-68.4122.8165.2178.462.9000109.3V174 L178 L179L167-V174 HydrophobicContact CD1-CG1 3.88Å; L167-L178 HydrophobicContact CD1-CB 3.94Å; L167-L179 HydrophobicContact CD1-CD2 3.85Å; L167-L179 HydrophobicContact CD2-CD2 4.16Å
168C83.9Confident90.4Very high6 Ų654.5 Ų54.54%0.04127%0.273CS..  trans-157.9170.6175.260.80000109.1R129 L151 R166R129-C168 PolarHBondContact NH1-SG 3.08Å; L151-C168 HydrophobicContact CD1-CB 4.26Å; L151-C168 HydrophobicContact CD2-CB 4.28Å; R166-C168 PolarHBondContact O-N 2.81Å
169G82Confident90.4Very high2 Ų249 Ų492%0.02125%0.251CS..SBendtrans93.9172.1-173.400000112.6R129 D130 Q320R129-G169 WeakPolarHBondContact O-CA 3.13Å; D130-G169 WeakPolarHBondContact OD1-CA 3.34Å; G169-Q320 PolarHBondContact O-NE2 2.67Å
170T81.3Confident90.4Very high35 Ų3550.2 Ų50.222%0.21525%0.249CC..  trans-86122.4-173.5-51.60000110.4D130 K132 P172 Y173 V174D130-T170 PolarHBondContact OD1-N 3.43Å; D130-T170 VanDerWaalsContact OD1-N 3.13Å; D130-T170 PolarHBondContact OD1-OG1 3.37Å; K132-T170 HydrophobicContact CD-CG2 4.39Å; K132-T170 WeakPolarHBondContact CD-OG1 3.4Å; K132-T170 WeakPolarHBondContact CE-OG1 3.47Å; K132-T170 PolarHBondContact NZ-OG1 3.32Å; T170-P172 VanDerWaalsContact C-CD 3.5Å; T170-P172 VanDerWaalsContact O-N 3.1Å; T170-Y173 HydrophobicContact CG2-CD2 4.05Å; T170-Y173 HydrophobicContact CG2-CE2 4.27Å; T170-Y173 WeakPolarHBondContact O-CA 3.18Å; T170-Y173 WeakPolarHBondContact O-CB 3.3Å; T170-Y173 PolarHBondContact O-N 3.43Å; T170-V174 PolarHBondContact O-N 2.62Å
171L86.4Confident90.3Very high70 Ų7045.2 Ų45.237%0.36624%0.235SC..G310 helixtrans-45.9-44.6-163.7-67.7175.2000116.7Y173 V174 L179 D209L171-Y173 PolarHBondContact O-N 3.07Å; L171-Y173 VanDerWaalsContact O-N 3.17Å; L171-V174 WeakPolarHBondContact O-CB 3.2Å; L171-V174 PolarHBondContact O-N 3.39Å; L171-L179 HydrophobicContact CD2-CD2 4.48Å; L171-D209 CarbonylContact C-O 3.58Å; L171-D209 VanDerWaalsContact C-O 3.32Å
172P88.6Confident89.9Confident18 Ų1848.7 Ų48.712%0.11725%0.251CS..G310 helixtrans-61.7-26.3178.7-25.535.1000114.4T170 L206 D209T170-P172 VanDerWaalsContact C-CD 3.5Å; T170-P172 VanDerWaalsContact O-N 3.1Å; P172-L206 HydrophobicContact CB-CD1 3.79Å; P172-L206 HydrophobicContact CG-CD1 3.95Å; P172-D209 WeakPolarHBondContact CA-O 3.08Å; P172-D209 WeakPolarHBondContact CD-O 3.3Å; P172-D209 VanDerWaalsContact CG-O 3.29Å; P172-D209 WeakPolarHBondContact CG-O 2.72Å
173Y94.6Very high89.8Confident13 Ų1349.5 Ų49.55%0.05126%0.258CS..G310 helixtrans-94.6-11.6-177-57-90.9000112.9K132 P133 T170 L171 I196 V197 L206K132-Y173 HydrophobicContact CB-CD1 3.92Å; K132-Y173 HydrophobicContact CB-CD2 3.94Å; K132-Y173 HydrophobicContact CB-CE1 3.75Å; K132-Y173 HydrophobicContact CB-CE2 3.73Å; K132-Y173 HydrophobicContact CB-CG 4.02Å; P133-Y173 WeakPolarHBondContact CD-OH 3.37Å; T170-Y173 HydrophobicContact CG2-CD2 4.05Å; T170-Y173 HydrophobicContact CG2-CE2 4.27Å; T170-Y173 WeakPolarHBondContact O-CA 3.18Å; T170-Y173 WeakPolarHBondContact O-CB 3.3Å; T170-Y173 PolarHBondContact O-N 3.43Å; L171-Y173 PolarHBondContact O-N 3.07Å; L171-Y173 VanDerWaalsContact O-N 3.17Å; Y173-I196 HydrophobicContact CD1-CB 3.74Å; Y173-I196 HydrophobicContact CD1-CG2 3.4Å; Y173-I196 HydrophobicContact CE1-CB 4.24Å; Y173-I196 HydrophobicContact CE1-CG2 3.56Å; Y173-I196 HydrophobicContact CG-CG2 4.1Å; Y173-V197 HydrophobicContact CD1-CG2 4.32Å; Y173-V197 HydrophobicContact CE1-CG2 4.15Å; Y173-L206 HydrophobicContact CE1-CD2 4.06Å; Y173-L206 HydrophobicContact CE2-CD1 4.44Å; Y173-L206 HydrophobicContact CE2-CD2 4.41Å
174V93.1Very high89.9Confident6 Ų647.7 Ų47.74%0.03625%0.246CC..SBendtrans-72.6135.8179.9169.30000109.5L167 T170 L171 L178 L179 W192 P211L167-V174 HydrophobicContact CD1-CG1 3.88Å; T170-V174 PolarHBondContact O-N 2.62Å; L171-V174 WeakPolarHBondContact O-CB 3.2Å; L171-V174 PolarHBondContact O-N 3.39Å; V174-L178 HydrophobicContact CG1-CB 3.47Å; V174-L178 VanDerWaalsContact CG1-CB 3.47Å; V174-L178 HydrophobicContact CG1-CD2 3.81Å; V174-L178 HydrophobicContact CG1-CG 4.22Å; V174-L179 HydrophobicContact CG1-CD2 4.04Å; V174-L179 HydrophobicContact CG1-CG 4.06Å; V174-W192 PolarHBondContact O-NE1 3.02Å; V174-P211 WeakPolarHBondContact O-CD 3.28Å; V174-P211 WeakPolarHBondContact O-CG 3.25Å
175A96.7Very high90.1Very high1 Ų151.8 Ų51.81%0.00827%0.265CS..  trans-74.5149.5177.800000111.5E177 L178 A189 W192A175-E177 VanDerWaalsContact CB-CD 3.49Å; A175-E177 WeakPolarHBondContact CB-OE1 3.01Å; A175-E177 VanDerWaalsContact CB-OE2 3.32Å; A175-E177 WeakPolarHBondContact CB-OE2 3.06Å; A175-E177 PolarHBondContact O-N 3.2Å; A175-E177 VanDerWaalsContact O-N 3.15Å; A175-L178 HydrophobicContact CB-CD1 4.14Å; A175-L178 WeakPolarHBondContact O-CB 3.33Å; A175-L178 PolarHBondContact O-N 3.17Å; A175-A189 HydrophobicContact CB-CB 4.34Å; A175-W192 VanDerWaalsContact CA-CD1 3.5Å; A175-W192 HydrophobicContact CB-CB 3.7Å; A175-W192 HydrophobicContact CB-CD2 4.03Å; A175-W192 HydrophobicContact CB-CG 3.56Å
176P96.8Very high90.4Very high11 Ų1146.4 Ų46.47%0.07124%0.236CC..Hα-helixtrans-59-31-17421.4-32.7000113.8L178 L179 S180 W192 P211 P248P176-L178 VanDerWaalsContact C-N 3.28Å; P176-L178 PolarHBondContact O-N 2.82Å; P176-L179 PolarHBondContact O-N 3.33Å; P176-L179 VanDerWaalsContact O-N 3.15Å; P176-S180 PolarHBondContact O-N 2.91Å; P176-S180 PolarHBondContact O-OG 3.24Å; P176-W192 HydrophobicContact CG-CH2 4.07Å; P176-W192 HydrophobicContact CG-CZ2 4.45Å; P176-W192 HydrophobicContact CG-CZ3 4.08Å; P176-P211 HydrophobicContact CB-CB 4.18Å; P176-P211 HydrophobicContact CB-CG 4.18Å; P176-P248 HydrophobicContact CG-CB 4.22Å
177E95.6Very high91Very high3 Ų345.4 Ų45.41%0.01424%0.235CC..Hα-helixtrans-65.6-28.5177.265.3-86.1-158.800113.2A175 L179 S180 Q181 P250 R253A175-E177 VanDerWaalsContact CB-CD 3.49Å; A175-E177 WeakPolarHBondContact CB-OE1 3.01Å; A175-E177 VanDerWaalsContact CB-OE2 3.32Å; A175-E177 WeakPolarHBondContact CB-OE2 3.06Å; A175-E177 PolarHBondContact O-N 3.2Å; A175-E177 VanDerWaalsContact O-N 3.15Å; E177-L179 PolarHBondContact O-N 3.33Å; E177-S180 PolarHBondContact O-N 2.67Å; E177-Q181 HydrophobicContact CB-CG 4.16Å; E177-Q181 VanDerWaalsContact O-CB 3.27Å; E177-Q181 WeakPolarHBondContact O-CB 3.4Å; E177-Q181 PolarHBondContact O-N 2.8Å; E177-P250 HydrophobicContact CB-CG 4.47Å; E177-P250 HydrophobicContact CG-CG 4.39Å; E177-R253 IonicContact OE1-CZ 3.63Å; E177-R253 IonicContact OE1-NH1 3.79Å; E177-R253 PolarHBondContact OE1-NH1 2.86Å; E177-R253 IonicContact OE1-NH2 2.83Å; E177-R253 PolarHBondContact OE1-NH2 3.13Å; E177-R253 IonicContact OE2-CZ 2.75Å; E177-R253 IonicContact OE2-NH1 2.7Å; E177-R253 IonicContact OE2-NH2 3.22Å; E177-R253 PolarHBondContact OE2-NH2 3.41Å
178L93.9Very high91.6Very high18 Ų1842.5 Ų42.59%0.09422%0.221CC..Hα-helixtrans-68.3-23.7175.3-84.867.4000112.2L167 V174 A175 P176 Y184 A189L167-L178 HydrophobicContact CD1-CB 3.94Å; V174-L178 HydrophobicContact CG1-CB 3.47Å; V174-L178 VanDerWaalsContact CG1-CB 3.47Å; V174-L178 HydrophobicContact CG1-CD2 3.81Å; V174-L178 HydrophobicContact CG1-CG 4.22Å; A175-L178 HydrophobicContact CB-CD1 4.14Å; A175-L178 WeakPolarHBondContact O-CB 3.33Å; A175-L178 PolarHBondContact O-N 3.17Å; P176-L178 VanDerWaalsContact C-N 3.28Å; P176-L178 PolarHBondContact O-N 2.82Å; L178-Y184 HydrophobicContact CD1-CD1 4.02Å; L178-Y184 HydrophobicContact CD1-CD2 3.37Å; L178-Y184 HydrophobicContact CD1-CE1 4.28Å; L178-Y184 HydrophobicContact CD1-CE2 3.67Å; L178-Y184 HydrophobicContact CD1-CG 3.56Å; L178-Y184 HydrophobicContact CD2-CE1 4.33Å; L178-Y184 HydrophobicContact CD2-CE2 4.03Å; L178-Y184 HydrophobicContact CG-CD1 3.82Å; L178-Y184 HydrophobicContact CG-CD2 3.91Å; L178-Y184 HydrophobicContact CG-CE1 3.73Å; L178-Y184 HydrophobicContact CG-CE2 3.82Å; L178-Y184 HydrophobicContact CG-CG 3.91Å; L178-A189 HydrophobicContact CD1-CB 3.73Å
179L91.6Very high92.2Very high56 Ų5642.8 Ų42.829%0.29322%0.224SC..Hα-helixtrans-93.5-20.1-178.9-58.7177000112.9L167 L171 V174 P176 E177 Q210 P211 T212L167-L179 HydrophobicContact CD1-CD2 3.85Å; L167-L179 HydrophobicContact CD2-CD2 4.16Å; L171-L179 HydrophobicContact CD2-CD2 4.48Å; V174-L179 HydrophobicContact CG1-CD2 4.04Å; V174-L179 HydrophobicContact CG1-CG 4.06Å; P176-L179 PolarHBondContact O-N 3.33Å; P176-L179 VanDerWaalsContact O-N 3.15Å; E177-L179 PolarHBondContact O-N 3.33Å; L179-Q210 HydrophobicContact CD1-CB 4.23Å; L179-P211 HydrophobicContact CD1-CG 4.13Å; L179-T212 HydrophobicContact CD1-CG2 3.63Å
180S88.6Confident93Very high94 Ų9442.8 Ų42.866%0.65722%0.224SC*.Hα-helixtrans-119.6-18.6-169.556.30000114.4P176 E177P176-S180 PolarHBondContact O-N 2.91Å; P176-S180 PolarHBondContact O-OG 3.24Å; E177-S180 PolarHBondContact O-N 2.67Å
181Q87.6Confident93.8Very high99 Ų9941.4 Ų41.446%0.46322%0.215SC..  trans-112.3149.9-178-55.6-175.6-16.100111.5E177 E183E177-Q181 HydrophobicContact CB-CG 4.16Å; E177-Q181 VanDerWaalsContact O-CB 3.27Å; E177-Q181 WeakPolarHBondContact O-CB 3.4Å; E177-Q181 PolarHBondContact O-N 2.8Å; Q181-E183 VanDerWaalsContact C-N 3.3Å; Q181-E183 WeakPolarHBondContact CB-O 3.49Å; Q181-E183 PolarHBondContact OE1-O 2.81Å
182Q86Confident94.4Very high174 Ų17438 Ų3881%0.81320%0.197SC*.SBendtrans-70.1-31.7173-174.7175.92.700111.8N165N165-Q182 WeakPolarHBondContact CA-O 3.47Å; N165-Q182 WeakPolarHBondContact CB-O 3.28Å
183E93.6Very high94.9Very high102 Ų10237.5 Ų37.548%0.47720%0.195SC..SBendtrans-137144.9-178.4-75-169.9161.600110.3P163 L164 N165 Q181P163-E183 HydrophobicContact CB-CB 4.02Å; P163-E183 HydrophobicContact CB-CG 4.39Å; P163-E183 HydrophobicContact CG-CG 4.48Å; P163-E183 VanDerWaalsContact CG-OE2 3.29Å; P163-E183 WeakPolarHBondContact CG-OE2 3.49Å; L164-E183 CarbonylContact O-C 3.58Å; L164-E183 VanDerWaalsContact O-CA 3.22Å; L164-E183 WeakPolarHBondContact O-CA 3.32Å; N165-E183 HydrophobicContact CB-CG 4.14Å; Q181-E183 VanDerWaalsContact C-N 3.3Å; Q181-E183 WeakPolarHBondContact CB-O 3.49Å; Q181-E183 PolarHBondContact OE1-O 2.81Å
184Y94.3Very high95.1Very high8 Ų836.9 Ų36.93%0.03119%0.192CC..BIsolated β-bridgetrans-141.3157.1-178.764.8-87.9000112.1L164 R166 L178 A189L164-Y184 HydrophobicContact CB-CD1 4.25Å; L164-Y184 HydrophobicContact CB-CD2 4.16Å; L164-Y184 HydrophobicContact CB-CE1 3.77Å; L164-Y184 HydrophobicContact CB-CE2 3.68Å; L164-Y184 HydrophobicContact CB-CG 4.43Å; L164-Y184 VanDerWaalsContact CB-CZ 3.46Å; L164-Y184 HydrophobicContact CD1-CE2 3.77Å; L164-Y184 HydrophobicContact CG-CE2 4.27Å; L164-Y184 PolarHBondContact N-O 3.4Å; L164-Y184 WeakPolarHBondContact O-CD1 3.49Å; L164-Y184 WeakPolarHBondContact O-CE1 3.46Å; L164-Y184 PolarHBondContact O-N 3.15Å; R166-Y184 WeakPolarHBondContact O-CE1 3.35Å; R166-Y184 PolarHBondContact O-OH 3.12Å; L178-Y184 HydrophobicContact CD1-CD1 4.02Å; L178-Y184 HydrophobicContact CD1-CD2 3.37Å; L178-Y184 HydrophobicContact CD1-CE1 4.28Å; L178-Y184 HydrophobicContact CD1-CE2 3.67Å; L178-Y184 HydrophobicContact CD1-CG 3.56Å; L178-Y184 HydrophobicContact CD2-CE1 4.33Å; L178-Y184 HydrophobicContact CD2-CE2 4.03Å; L178-Y184 HydrophobicContact CG-CD1 3.82Å; L178-Y184 HydrophobicContact CG-CD2 3.91Å; L178-Y184 HydrophobicContact CG-CE1 3.73Å; L178-Y184 HydrophobicContact CG-CE2 3.82Å; L178-Y184 HydrophobicContact CG-CG 3.91Å; Y184-A189 HydrophobicContact CD2-CB 4.28Å; Y184-A189 HydrophobicContact CE2-CB 4.41Å
185Q96.1Very high95.4Very high89 Ų8936.6 Ų36.642%0.41619%0.19SC..  trans-83.7136174.1-64.7-60.1-21.700110.8P188Q185-P188 HydrophobicContact CB-CG 4.08Å
186A95.9Very high95.5Very high0 Ų036.6 Ų36.60%019%0.19CC..Hα-helixtrans-68.1-44.9-172.500000113.2T127 F155 L164 A189 D190T127-A186 HydrophobicContact CG2-CB 3.79Å; F155-A186 HydrophobicContact CB-CB 3.58Å; F155-A186 HydrophobicContact CD1-CB 3.7Å; F155-A186 HydrophobicContact CD2-CB 4.03Å; F155-A186 HydrophobicContact CE1-CB 4.39Å; F155-A186 HydrophobicContact CG-CB 3.5Å; F155-A186 VanDerWaalsContact CG-CB 3.5Å; L164-A186 HydrophobicContact CD1-CB 3.69Å; L164-A186 HydrophobicContact CG-CB 4.29Å; A186-A189 PolarHBondContact O-N 2.57Å; A186-D190 PolarHBondContact O-N 2.78Å
187Q98Very high95.6Very high60 Ų6036.1 Ų36.128%0.2819%0.187SC..Hα-helixtrans-67.2-47.2-171.6-57-177.5-111.300113.4H122 F155 A189 D190 V191H122-Q187 HydrophobicContact CB-CG 4.36Å; H122-Q187 VanDerWaalsContact CE1-CA 3.48Å; H122-Q187 WeakPolarHBondContact CE1-CA 3.4Å; H122-Q187 PolarHBondContact ND1-NE2 3.42Å; F155-Q187 HydrophobicContact CE1-CG 4.16Å; F155-Q187 HydrophobicContact CE2-CG 3.75Å; F155-Q187 HydrophobicContact CZ-CG 3.46Å; F155-Q187 VanDerWaalsContact CZ-CG 3.46Å; Q187-A189 PolarHBondContact O-N 3.4Å; Q187-D190 PolarHBondContact O-N 2.6Å; Q187-V191 WeakPolarHBondContact O-CG2 3.48Å; Q187-V191 PolarHBondContact O-N 3.45Å; Q187-V191 VanDerWaalsContact O-N 3.14Å
188P98.3Very high95.7Very high28 Ų2836 Ų3618%0.18219%0.186CC..Hα-helixtrans-59.9-32.4177.3-2536.3000113.1Q185 V191 W192 P250 R253Q185-P188 HydrophobicContact CB-CG 4.08Å; P188-V191 PolarHBondContact O-N 3.42Å; P188-W192 PolarHBondContact O-N 3.37Å; P188-P250 HydrophobicContact CB-CB 3.83Å; P188-P250 HydrophobicContact CG-CB 4.23Å; P188-R253 WeakPolarHBondContact O-CD 3.46Å; P188-R253 PolarHBondContact O-NH1 3.48Å
189A97.8Very high95.9Very high12 Ų1235.1 Ų35.110%0.09918%0.182CC..Hα-helixtrans-67.5-44179.400000112.3A175 L178 Y184 A186 Q187 V191 W192 A193A175-A189 HydrophobicContact CB-CB 4.34Å; L178-A189 HydrophobicContact CD1-CB 3.73Å; Y184-A189 HydrophobicContact CD2-CB 4.28Å; Y184-A189 HydrophobicContact CE2-CB 4.41Å; A186-A189 PolarHBondContact O-N 2.57Å; Q187-A189 PolarHBondContact O-N 3.4Å; A189-V191 VanDerWaalsContact C-N 3.31Å; A189-V191 PolarHBondContact O-N 3.39Å; A189-W192 WeakPolarHBondContact O-CB 3.28Å; A189-W192 PolarHBondContact O-N 3.43Å; A189-A193 PolarHBondContact O-N 2.91Å; A189-A193 VanDerWaalsContact O-N 3.14Å
190D98.6Very high96.1Very high2 Ų232.4 Ų32.41%0.01117%0.168CC..Hα-helixtrans-65-36.4174.2-78-25.6000111.5V118 H122 T127 H128 R129 I131 A186 Q187 W192 A193 C194V118-D190 HydrophobicContact CG1-CB 4.06Å; H122-D190 IonicContact CD2-OD2 3.25Å; H122-D190 IonicContact CE1-OD2 3.48Å; H122-D190 IonicContact NE2-OD2 2.88Å; H122-D190 PolarHBondContact NE2-OD2 3.48Å; T127-D190 WeakPolarHBondContact CA-OD2 3.49Å; T127-D190 WeakPolarHBondContact CB-OD2 3.45Å; T127-D190 PolarHBondContact OG1-OD1 2.77Å; T127-D190 PolarHBondContact OG1-OD2 3.1Å; H128-D190 PolarHBondContact N-OD2 2.92Å; H128-D190 VanDerWaalsContact N-OD2 3.16Å; R129-D190 PolarHBondContact N-OD1 3.49Å; I131-D190 HydrophobicContact CD1-CB 3.8Å; A186-D190 PolarHBondContact O-N 2.78Å; Q187-D190 PolarHBondContact O-N 2.6Å; D190-W192 VanDerWaalsContact C-N 3.35Å; D190-A193 PolarHBondContact O-N 3.37Å; D190-C194 PolarHBondContact O-N 2.68Å; D190-C194 PolarHBondContact O-SG 3.31Å
191V98.8Very high96.6Very high5 Ų528 Ų283%0.0314%0.137CC..Hα-helixtrans-63.4-41175.9171.30000111.6Q187 P188 A189 C194 G195 L245 R253 I254 I256 I259Q187-V191 WeakPolarHBondContact O-CG2 3.48Å; Q187-V191 PolarHBondContact O-N 3.45Å; Q187-V191 VanDerWaalsContact O-N 3.14Å; P188-V191 PolarHBondContact O-N 3.42Å; A189-V191 VanDerWaalsContact C-N 3.31Å; A189-V191 PolarHBondContact O-N 3.39Å; V191-C194 WeakPolarHBondContact O-CB 3.41Å; V191-C194 PolarHBondContact O-N 3.42Å; V191-G195 PolarHBondContact O-N 2.63Å; V191-G195 VanDerWaalsContact O-N 3.15Å; V191-L245 HydrophobicContact CG1-CD2 3.57Å; V191-R253 HydrophobicContact CG1-CG 4.44Å; V191-I254 HydrophobicContact CG1-CG2 4.44Å; V191-I254 WeakPolarHBondContact CG1-O 3.43Å; V191-I256 HydrophobicContact CG2-CG1 4.13Å; V191-I259 HydrophobicContact CG1-CD1 4.02Å
192W98.8Very high97Very high0 Ų024.1 Ų24.10%012%0.119CC..Hα-helixtrans-58.6-50.3173.6175.2-83.3000111.2V174 A175 P176 P188 A189 D190 C194 G195 I196 W208 P211 Y218 L246V174-W192 PolarHBondContact O-NE1 3.02Å; A175-W192 VanDerWaalsContact CA-CD1 3.5Å; A175-W192 HydrophobicContact CB-CB 3.7Å; A175-W192 HydrophobicContact CB-CD2 4.03Å; A175-W192 HydrophobicContact CB-CG 3.56Å; P176-W192 HydrophobicContact CG-CH2 4.07Å; P176-W192 HydrophobicContact CG-CZ2 4.45Å; P176-W192 HydrophobicContact CG-CZ3 4.08Å; P188-W192 PolarHBondContact O-N 3.37Å; A189-W192 WeakPolarHBondContact O-CB 3.28Å; A189-W192 PolarHBondContact O-N 3.43Å; D190-W192 VanDerWaalsContact C-N 3.35Å; W192-C194 VanDerWaalsContact C-N 3.26Å; W192-C194 PolarHBondContact O-N 3.06Å; W192-G195 WeakPolarHBondContact O-CA 3.38Å; W192-G195 PolarHBondContact O-N 3Å; W192-I196 PolarHBondContact O-N 3.33Å; W192-I196 VanDerWaalsContact O-N 3.09Å; W192-W208 HydrophobicContact CH2-CH2 4.33Å; W192-W208 AromaticContact CH2-CZ2 3.86Å; W192-W208 HydrophobicContact CH2-CZ2 3.86Å; W192-W208 HydrophobicContact CZ2-CH2 4.29Å; W192-W208 AromaticContact CZ2-CZ2 3.39Å; W192-W208 HydrophobicContact CZ2-CZ2 3.39Å; W192-P211 HydrophobicContact CH2-CB 4.33Å; W192-P211 HydrophobicContact CZ2-CB 3.76Å; W192-P211 HydrophobicContact CZ2-CG 3.99Å; W192-Y218 AromaticContact CH2-CE2 3.97Å; W192-Y218 HydrophobicContact CH2-CE2 3.97Å; W192-Y218 HydrophobicContact CZ2-CE2 4.46Å; W192-L246 HydrophobicContact CD2-CD2 3.92Å; W192-L246 HydrophobicContact CE3-CB 4.45Å; W192-L246 HydrophobicContact CE3-CD2 4.11Å; W192-L246 HydrophobicContact CG-CD2 4.34Å; W192-L246 HydrophobicContact CH2-CB 4.31Å; W192-L246 HydrophobicContact CZ2-CD2 4.38Å; W192-L246 HydrophobicContact CZ3-CB 4.1Å; W192-L246 HydrophobicContact CZ3-CD2 4.42Å; W192-L246 WeakPolarHBondContact CZ3-O 3.11Å
193A98.6Very high97.4Very high7 Ų715.9 Ų15.96%0.0588%0.08CC..Hα-helixtrans-58.7-38.1178.800000112.2I131 A189 D190 G195 I196 V197I131-A193 HydrophobicContact CB-CB 3.89Å; I131-A193 HydrophobicContact CG2-CB 4.42Å; A189-A193 PolarHBondContact O-N 2.91Å; A189-A193 VanDerWaalsContact O-N 3.14Å; D190-A193 PolarHBondContact O-N 3.37Å; A193-G195 VanDerWaalsContact C-N 3.3Å; A193-G195 PolarHBondContact O-N 2.99Å; A193-I196 PolarHBondContact O-N 3.15Å; A193-V197 WeakPolarHBondContact O-CG2 3.46Å; A193-V197 PolarHBondContact O-N 3.39Å
194C98.9Very high97Very high0 Ų011 Ų110%06%0.058CC..Hα-helixtrans-59.4-39.1171.8-650000112.4F111 L114 I115 D190 V191 W192 V197 L198F111-C194 HydrophobicContact CE2-CB 4.1Å; F111-C194 WeakPolarHBondContact CE2-O 3.18Å; L114-C194 HydrophobicContact CD2-CB 4.14Å; I115-C194 HydrophobicContact CD1-CB 4.18Å; D190-C194 PolarHBondContact O-N 2.68Å; D190-C194 PolarHBondContact O-SG 3.31Å; V191-C194 WeakPolarHBondContact O-CB 3.41Å; V191-C194 PolarHBondContact O-N 3.42Å; W192-C194 VanDerWaalsContact C-N 3.26Å; W192-C194 PolarHBondContact O-N 3.06Å; C194-V197 PolarHBondContact O-N 2.8Å; C194-L198 WeakPolarHBondContact O-CB 3.49Å; C194-L198 PolarHBondContact O-N 3.17Å
195G98.8Very high96.6Very high0 Ų011.6 Ų11.60%06%0.061CC..Hα-helixtrans-64.4-37.6174.700000113.4V191 W192 A193 L198 T199 L242V191-G195 PolarHBondContact O-N 2.63Å; V191-G195 VanDerWaalsContact O-N 3.15Å; W192-G195 WeakPolarHBondContact O-CA 3.38Å; W192-G195 PolarHBondContact O-N 3Å; A193-G195 VanDerWaalsContact C-N 3.3Å; A193-G195 PolarHBondContact O-N 2.99Å; G195-L198 PolarHBondContact O-N 3.32Å; G195-T199 PolarHBondContact O-N 3.32Å; G195-T199 PolarHBondContact O-OG1 3.36Å; G195-L242 VanDerWaalsContact O-CD2 3.26Å; G195-L242 WeakPolarHBondContact O-CD2 3.46Å
196I98.5Very high96.2Very high0 Ų08.2 Ų8.20%05%0.045CC..Hα-helixtrans-67.1-43.6174.6-54.7-62.4000110.5Y173 W192 A193 L198 T199 A200 L206 P207 W208 L246Y173-I196 HydrophobicContact CD1-CB 3.74Å; Y173-I196 HydrophobicContact CD1-CG2 3.4Å; Y173-I196 HydrophobicContact CE1-CB 4.24Å; Y173-I196 HydrophobicContact CE1-CG2 3.56Å; Y173-I196 HydrophobicContact CG-CG2 4.1Å; W192-I196 PolarHBondContact O-N 3.33Å; W192-I196 VanDerWaalsContact O-N 3.09Å; A193-I196 PolarHBondContact O-N 3.15Å; I196-L198 VanDerWaalsContact C-N 3.35Å; I196-L198 PolarHBondContact O-N 3Å; I196-T199 WeakPolarHBondContact O-CB 3.18Å; I196-T199 PolarHBondContact O-N 2.88Å; I196-A200 PolarHBondContact O-N 3.29Å; I196-L206 HydrophobicContact CG2-CD2 3.77Å; I196-P207 HydrophobicContact CD1-CG 3.66Å; I196-W208 HydrophobicContact CD1-CZ2 3.58Å; I196-L246 HydrophobicContact CD1-CD1 4.18Å; I196-L246 HydrophobicContact CD1-CD2 3.6Å; I196-L246 HydrophobicContact CG1-CD2 4.05Å
197V98.6Very high96Very high1 Ų18.3 Ų8.31%0.0065%0.046CC..Hα-helixtrans-58.6-45.5173.7172.40000111.2L92 L114 I131 P133 I136 Y173 A193 C194 T199 A200 M201L92-V197 HydrophobicContact CD2-CG1 4.23Å; L114-V197 HydrophobicContact CD2-CB 4.27Å; L114-V197 HydrophobicContact CD2-CG1 4.02Å; I131-V197 HydrophobicContact CG2-CG2 4.07Å; P133-V197 HydrophobicContact CG-CG2 4.43Å; I136-V197 HydrophobicContact CD1-CG1 3.91Å; I136-V197 HydrophobicContact CD1-CG2 4.22Å; Y173-V197 HydrophobicContact CD1-CG2 4.32Å; Y173-V197 HydrophobicContact CE1-CG2 4.15Å; A193-V197 WeakPolarHBondContact O-CG2 3.46Å; A193-V197 PolarHBondContact O-N 3.39Å; C194-V197 PolarHBondContact O-N 2.8Å; V197-T199 VanDerWaalsContact C-N 3.32Å; V197-T199 PolarHBondContact O-N 2.91Å; V197-A200 PolarHBondContact O-N 3.45Å; V197-M201 HydrophobicContact CG1-CE 4.21Å; V197-M201 HydrophobicContact CG1-CG 4.45Å; V197-M201 HydrophobicContact CG1-SD 4.48Å; V197-M201 WeakPolarHBondContact O-CG 3.33Å; V197-M201 PolarHBondContact O-N 3.26Å
198L98.8Very high95.7Very high0 Ų05.4 Ų5.40%03%0.033CC..Hα-helixtrans-61.2-41.4176.8-179.557.9000112.1F111 C194 G195 I196 M201 L202 L241 L242 L245 W264F111-L198 HydrophobicContact CB-CD1 4.22Å; F111-L198 HydrophobicContact CD1-CD2 4.39Å; F111-L198 HydrophobicContact CD2-CB 3.73Å; F111-L198 HydrophobicContact CD2-CD1 4.03Å; F111-L198 HydrophobicContact CD2-CD2 4.03Å; F111-L198 HydrophobicContact CD2-CG 4.14Å; F111-L198 HydrophobicContact CE1-CD2 4.25Å; F111-L198 HydrophobicContact CE2-CB 3.74Å; F111-L198 HydrophobicContact CE2-CD2 3.89Å; F111-L198 HydrophobicContact CE2-CG 4.3Å; F111-L198 HydrophobicContact CG-CD1 4.12Å; F111-L198 HydrophobicContact CG-CD2 4.27Å; F111-L198 HydrophobicContact CZ-CD2 4Å; C194-L198 WeakPolarHBondContact O-CB 3.49Å; C194-L198 PolarHBondContact O-N 3.17Å; G195-L198 PolarHBondContact O-N 3.32Å; I196-L198 VanDerWaalsContact C-N 3.35Å; I196-L198 PolarHBondContact O-N 3Å; L198-M201 HydrophobicContact CB-CE 4.48Å; L198-M201 HydrophobicContact CD1-CE 3.93Å; L198-M201 PolarHBondContact O-N 3.29Å; L198-L202 HydrophobicContact CD1-CD1 3.68Å; L198-L202 HydrophobicContact CD1-CG 3.97Å; L198-L202 HydrophobicContact CG-CD1 3.81Å; L198-L202 HydrophobicContact CG-CG 4.45Å; L198-L202 WeakPolarHBondContact O-CB 3.42Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 3.12Å; L198-L241 HydrophobicContact CD2-CD2 4.39Å; L198-L242 HydrophobicContact CB-CD2 4.04Å; L198-L242 HydrophobicContact CD2-CD2 3.88Å; L198-L242 HydrophobicContact CD2-CG 4.2Å; L198-L242 HydrophobicContact CG-CD2 4Å; L198-L245 HydrophobicContact CD2-CD1 4.15Å; L198-W264 HydrophobicContact CD1-CH2 3.48Å; L198-W264 VanDerWaalsContact CD1-CH2 3.48Å; L198-W264 HydrophobicContact CD1-CZ2 4.32Å; L198-W264 HydrophobicContact CD1-CZ3 3.94Å; L198-W264 HydrophobicContact CD2-CH2 4.25Å; L198-W264 HydrophobicContact CD2-CZ3 3.89Å
199T98.4Very high94.7Very high0 Ų06.3 Ų6.30%04%0.036CC..Hα-helixtrans-60.3-47175-56.60000110.9G195 I196 V197 M201 L202 A203 P207 P230 W231 I234 L242G195-T199 PolarHBondContact O-N 3.32Å; G195-T199 PolarHBondContact O-OG1 3.36Å; I196-T199 WeakPolarHBondContact O-CB 3.18Å; I196-T199 PolarHBondContact O-N 2.88Å; V197-T199 VanDerWaalsContact C-N 3.32Å; V197-T199 PolarHBondContact O-N 2.91Å; T199-M201 PolarHBondContact O-N 2.94Å; T199-L202 PolarHBondContact O-N 3.06Å; T199-A203 WeakPolarHBondContact O-CB 3.41Å; T199-A203 PolarHBondContact O-N 2.85Å; T199-P207 HydrophobicContact CG2-CB 4.3Å; T199-P207 HydrophobicContact CG2-CG 4.31Å; T199-P230 HydrophobicContact CG2-CB 4.11Å; T199-P230 HydrophobicContact CG2-CG 3.69Å; T199-W231 HydrophobicContact CG2-CH2 4.17Å; T199-W231 HydrophobicContact CG2-CZ3 3.82Å; T199-I234 HydrophobicContact CG2-CD1 4.24Å; T199-L242 WeakPolarHBondContact OG1-CD2 3.5Å
200A95.5Very high94.1Very high0 Ų08.8 Ų8.80%05%0.045CC..Hα-helixtrans-60.7-43.6177.500000111.9I96 P133 I196 V197 L202 G204 L206I96-A200 HydrophobicContact CD1-CB 4.14Å; I96-A200 VanDerWaalsContact CG2-O 3.24Å; I96-A200 WeakPolarHBondContact CG2-O 3.45Å; P133-A200 HydrophobicContact CG-CB 4.46Å; I196-A200 PolarHBondContact O-N 3.29Å; V197-A200 PolarHBondContact O-N 3.45Å; A200-L202 VanDerWaalsContact C-N 3.35Å; A200-L202 PolarHBondContact O-N 2.71Å; A200-G204 WeakPolarHBondContact O-CA 3.45Å; A200-G204 PolarHBondContact O-N 2.99Å; A200-L206 HydrophobicContact CB-CD2 4.2Å
201M97.9Very high93.8Very high1 Ų18.9 Ų8.91%0.0055%0.046CC..Hα-helixtrans-62-40.1175.7-68.9-169.1-63.800112.3L92 I96 G101 M102 A107 F110 F111 V197 L198 T199L92-M201 HydrophobicContact CD1-SD 4.33Å; L92-M201 HydrophobicContact CD2-CG 4.21Å; L92-M201 HydrophobicContact CD2-SD 3.77Å; I96-M201 HydrophobicContact CD1-CG 4.29Å; I96-M201 HydrophobicContact CG1-CG 4.49Å; G101-M201 CarbonylContact C-O 3.19Å; G101-M201 VanDerWaalsContact CA-O 3.23Å; G101-M201 WeakPolarHBondContact CA-O 3.48Å; M102-M201 HydrophobicContact CE-CB 4Å; M102-M201 HydrophobicContact CE-CG 3.7Å; M102-M201 HydrophobicContact CE-SD 4.24Å; M102-M201 HydrophobicContact CG-CB 4.23Å; M102-M201 WeakPolarHBondContact CG-O 3.31Å; M102-M201 PolarHBondContact N-O 3.14Å; M102-M201 HydrophobicContact SD-CB 4.12Å; M102-M201 HydrophobicContact SD-CG 4.11Å; M102-M201 HydrophobicContact SD-SD 4.11Å; A107-M201 HydrophobicContact CB-CB 3.88Å; A107-M201 HydrophobicContact CB-CE 4.38Å; A107-M201 HydrophobicContact CB-SD 4.42Å; F110-M201 HydrophobicContact CB-CE 4.49Å; F110-M201 HydrophobicContact CB-SD 3.88Å; F110-M201 HydrophobicContact CD2-SD 4.17Å; F111-M201 HydrophobicContact CB-CE 4.06Å; F111-M201 HydrophobicContact CD2-CE 4.37Å; V197-M201 HydrophobicContact CG1-CE 4.21Å; V197-M201 HydrophobicContact CG1-CG 4.45Å; V197-M201 HydrophobicContact CG1-SD 4.48Å; V197-M201 WeakPolarHBondContact O-CG 3.33Å; V197-M201 PolarHBondContact O-N 3.26Å; L198-M201 HydrophobicContact CB-CE 4.48Å; L198-M201 HydrophobicContact CD1-CE 3.93Å; L198-M201 PolarHBondContact O-N 3.29Å; T199-M201 PolarHBondContact O-N 2.94Å
202L97.6Very high93.5Very high18 Ų1810 Ų109%0.0945%0.053CC..Hα-helixtrans-84-29-174.9-67.7171.9000114.2E104 A107 L198 T199 A200 I234 P238 L242E104-L202 HydrophobicContact CB-CD2 4.32Å; E104-L202 HydrophobicContact CG-CD2 4.03Å; A107-L202 HydrophobicContact CB-CD2 3.76Å; A107-L202 HydrophobicContact CB-CG 4.35Å; L198-L202 HydrophobicContact CD1-CD1 3.68Å; L198-L202 HydrophobicContact CD1-CG 3.97Å; L198-L202 HydrophobicContact CG-CD1 3.81Å; L198-L202 HydrophobicContact CG-CG 4.45Å; L198-L202 WeakPolarHBondContact O-CB 3.42Å; L198-L202 VanDerWaalsContact O-CG 3.3Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 3.12Å; T199-L202 PolarHBondContact O-N 3.06Å; A200-L202 VanDerWaalsContact C-N 3.35Å; A200-L202 PolarHBondContact O-N 2.71Å; L202-I234 HydrophobicContact CB-CD1 4.26Å; L202-I234 HydrophobicContact CB-CG1 4.08Å; L202-I234 HydrophobicContact CB-CG2 4.45Å; L202-I234 HydrophobicContact CD1-CG2 3.86Å; L202-P238 HydrophobicContact CD1-CB 3.61Å; L202-P238 HydrophobicContact CD1-CG 4.21Å; L202-L242 HydrophobicContact CD1-CD1 4.38Å
203A93.3Very high92.9Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-118.6-12.9-171.400000114.6D99 V100 T199 E205 P230 K233 I234D99-A203 CarbonylContact C-O 3.49Å; V100-A203 PolarHBondContact N-O 3.22Å; T199-A203 WeakPolarHBondContact O-CB 3.41Å; T199-A203 PolarHBondContact O-N 2.85Å; A203-E205 HydrophobicContact CB-CG 4.31Å; A203-E205 PolarHBondContact O-N 3.32Å; A203-P230 HydrophobicContact CB-CB 3.48Å; A203-P230 VanDerWaalsContact CB-CB 3.48Å; A203-K233 HydrophobicContact CB-CB 4.43Å; A203-K233 HydrophobicContact CB-CD 4.31Å; A203-I234 HydrophobicContact CB-CD1 4.26Å; A203-I234 HydrophobicContact CB-CG1 4.18Å
204G85.4Confident92.4Very high0 Ų023.3 Ų23.30%013%0.126CC..SBendtrans68.816.4-178.800000114.1E97 P98 D99 G101 A200E97-G204 WeakPolarHBondContact O-CA 3.42Å; P98-G204 WeakPolarHBondContact CA-O 3.13Å; D99-G204 PolarHBondContact N-O 3.46Å; G101-G204 VanDerWaalsContact CA-N 3.29Å; G101-G204 VanDerWaalsContact N-CA 3.34Å; A200-G204 WeakPolarHBondContact O-CA 3.45Å; A200-G204 PolarHBondContact O-N 2.99Å
205E85.1Confident91.9Very high21 Ų2123.9 Ų23.910%0.09813%0.13CC..SBendtrans-149.8150.7179.372.7-168.7144.600110.7A203 P229 P230 K233 R432A203-E205 HydrophobicContact CB-CG 4.31Å; A203-E205 PolarHBondContact O-N 3.32Å; E205-P229 WeakPolarHBondContact OE1-CB 3.11Å; E205-P230 HydrophobicContact CG-CB 3.61Å; E205-P230 HydrophobicContact CG-CG 4.38Å; E205-P230 VanDerWaalsContact OE1-CA 3.28Å; E205-P230 WeakPolarHBondContact OE1-CA 2.96Å; E205-K233 VanDerWaalsContact CD-NZ 3.3Å; E205-K233 WeakPolarHBondContact OE1-CE 3.5Å; E205-K233 IonicContact OE1-NZ 3.09Å; E205-K233 PolarHBondContact OE1-NZ 2.89Å; E205-K233 IonicContact OE2-NZ 3.46Å; E205-R432 IonicContact OE2-NH2 2.94Å
206L88.8Confident91.5Very high17 Ų1729.3 Ų29.39%0.08916%0.155CC..  trans-80.3145174.2-65.9172.9000110.4P172 Y173 I196 A200 W208 L428P172-L206 HydrophobicContact CB-CD1 3.79Å; P172-L206 HydrophobicContact CG-CD1 3.95Å; Y173-L206 HydrophobicContact CE1-CD2 4.06Å; Y173-L206 HydrophobicContact CE2-CD1 4.44Å; Y173-L206 HydrophobicContact CE2-CD2 4.41Å; I196-L206 HydrophobicContact CG2-CD2 3.77Å; A200-L206 HydrophobicContact CB-CD2 4.2Å; L206-W208 VanDerWaalsContact C-N 3.3Å; L206-W208 PolarHBondContact O-N 3.4Å; L206-L428 HydrophobicContact CG-CD1 4.16Å
207P91.4Very high91.2Very high2 Ų232.5 Ų32.51%0.01317%0.17CC..SBendtrans-71.6-23.5-175.929.6-35.8000113.9I196 T199 E217 P230 W231I196-P207 HydrophobicContact CD1-CG 3.66Å; T199-P207 HydrophobicContact CG2-CB 4.3Å; T199-P207 HydrophobicContact CG2-CG 4.31Å; P207-E217 WeakPolarHBondContact O-CB 3.32Å; P207-P230 HydrophobicContact CB-CG 3.93Å; P207-W231 HydrophobicContact CB-CH2 3.39Å; P207-W231 HydrophobicContact CB-CZ2 3.34Å; P207-W231 HydrophobicContact CB-CZ3 4.45Å; P207-W231 HydrophobicContact CG-CH2 4.13Å; P207-W231 HydrophobicContact CG-CZ2 4.46Å
208W91.3Very high91.1Very high0 Ų033.3 Ų33.30%017%0.173CC..  trans-166169.1-178.439.470.6000110.1W192 I196 L206 C215 E217 Y218 W221 W231 L246W192-W208 HydrophobicContact CH2-CH2 4.33Å; W192-W208 AromaticContact CH2-CZ2 3.86Å; W192-W208 HydrophobicContact CH2-CZ2 3.86Å; W192-W208 HydrophobicContact CZ2-CH2 4.29Å; W192-W208 AromaticContact CZ2-CZ2 3.39Å; W192-W208 HydrophobicContact CZ2-CZ2 3.39Å; I196-W208 HydrophobicContact CD1-CZ2 3.58Å; L206-W208 VanDerWaalsContact C-N 3.3Å; L206-W208 PolarHBondContact O-N 3.4Å; W208-C215 VanDerWaalsContact CB-SG 3.52Å; W208-E217 HydrophobicContact CB-CB 4.35Å; W208-Y218 HydrophobicContact CD2-CD2 4.09Å; W208-Y218 AromaticContact CE3-CD2 3.96Å; W208-Y218 HydrophobicContact CE3-CD2 3.96Å; W208-Y218 HydrophobicContact CH2-CD2 4.2Å; W208-Y218 HydrophobicContact CZ2-CD2 4.31Å; W208-Y218 HydrophobicContact CZ3-CD2 4.01Å; W208-W221 HydrophobicContact CE3-CB 4.35Å; W208-W221 HydrophobicContact CH2-CB 4.37Å; W208-W221 AromaticContact CH2-CD1 3.61Å; W208-W221 HydrophobicContact CH2-CD2 4.35Å; W208-W221 AromaticContact CH2-CG 3.87Å; W208-W221 HydrophobicContact CH2-CG 3.87Å; W208-W221 AromaticContact CH2-NE1 3.96Å; W208-W221 HydrophobicContact CZ3-CB 3.54Å; W208-W221 AromaticContact CZ3-CD1 3.65Å; W208-W221 HydrophobicContact CZ3-CD2 4.23Å; W208-W221 AromaticContact CZ3-CG 3.52Å; W208-W221 HydrophobicContact CZ3-CG 3.52Å; W208-W231 HydrophobicContact CE3-CZ2 4.29Å; W208-W231 HydrophobicContact CH2-CH2 4.08Å; W208-W231 HydrophobicContact CH2-CZ2 4.02Å; W208-W231 HydrophobicContact CZ3-CH2 4.06Å; W208-W231 AromaticContact CZ3-CZ2 3.53Å; W208-W231 HydrophobicContact CZ3-CZ2 3.53Å; W208-L246 HydrophobicContact CH2-CD1 4.08Å; W208-L246 HydrophobicContact CZ2-CD1 4.34Å
209D78.8Confident91Very high47 Ų4734.6 Ų34.625%0.25118%0.182SC..SBendtrans-75.9-39.4168.6-75.4-21.9000112.3L171 P172 R399L171-D209 CarbonylContact C-O 3.58Å; L171-D209 VanDerWaalsContact C-O 3.32Å; P172-D209 WeakPolarHBondContact CA-O 3.08Å; P172-D209 WeakPolarHBondContact CD-O 3.3Å; P172-D209 VanDerWaalsContact CG-O 3.29Å; P172-D209 WeakPolarHBondContact CG-O 2.72Å; D209-R399 WeakPolarHBondContact OD1-CD 3.29Å; D209-R399 IonicContact OD1-CZ 2.63Å; D209-R399 IonicContact OD1-NE 3.91Å; D209-R399 IonicContact OD1-NH1 2.86Å; D209-R399 PolarHBondContact OD1-NH1 2.64Å; D209-R399 WeakPolarHBondContact OD2-CD 3.2Å; D209-R399 IonicContact OD2-NE 2.82Å
210Q85Confident90.8Very high64 Ų6435.7 Ų35.730%0.29919%0.188SC..SBendtrans-160.9145.3179.156.4-179.244.300108.8L179 T212 C215L179-Q210 HydrophobicContact CD1-CB 4.23Å; Q210-T212 VanDerWaalsContact C-N 3.25Å; Q210-T212 HydrophobicContact CG-CG2 4.06Å; Q210-T212 PolarHBondContact NE2-OG1 3.31Å; Q210-T212 VanDerWaalsContact NE2-OG1 3.07Å; Q210-T212 PolarHBondContact O-N 3.14Å; Q210-C215 VanDerWaalsContact O-CB 3.31Å; Q210-C215 WeakPolarHBondContact O-CB 3.32Å
211P92.5Very high90.9Very high4 Ų436.7 Ų36.73%0.02619%0.192CC..SBendtrans-81.968.1-179.533.1-36000112.1V174 P176 L179 W192 Y218V174-P211 WeakPolarHBondContact O-CD 3.28Å; V174-P211 WeakPolarHBondContact O-CG 3.25Å; P176-P211 HydrophobicContact CB-CB 4.18Å; P176-P211 HydrophobicContact CB-CG 4.18Å; L179-P211 HydrophobicContact CD1-CG 4.13Å; W192-P211 HydrophobicContact CH2-CB 4.33Å; W192-P211 HydrophobicContact CZ2-CB 3.76Å; W192-P211 HydrophobicContact CZ2-CG 3.99Å; P211-Y218 VanDerWaalsContact C-CD1 3.48Å; P211-Y218 HydrophobicContact CB-CD1 4.34Å; P211-Y218 HydrophobicContact CB-CD2 3.53Å; P211-Y218 HydrophobicContact CB-CE1 4.24Å; P211-Y218 HydrophobicContact CB-CE2 3.44Å; P211-Y218 VanDerWaalsContact CB-CE2 3.44Å; P211-Y218 HydrophobicContact CB-CG 3.98Å; P211-Y218 WeakPolarHBondContact O-CE1 3.47Å
212T91.6Very high90.8Very high28 Ų2840.5 Ų40.517%0.17221%0.212CC..SBendtrans-115.9155.3174.960.40000111.5L179 Q210 S214 C215 Y218L179-T212 HydrophobicContact CD1-CG2 3.63Å; Q210-T212 VanDerWaalsContact C-N 3.25Å; Q210-T212 HydrophobicContact CG-CG2 4.06Å; Q210-T212 PolarHBondContact NE2-OG1 3.31Å; Q210-T212 VanDerWaalsContact NE2-OG1 3.07Å; Q210-T212 PolarHBondContact O-N 3.14Å; T212-S214 PolarHBondContact O-N 3.33Å; T212-S214 VanDerWaalsContact O-N 3.16Å; T212-S214 PolarHBondContact OG1-OG 2.79Å; T212-C215 WeakPolarHBondContact O-CB 3.23Å; T212-C215 PolarHBondContact O-N 3.26Å; T212-Y218 WeakPolarHBondContact O-CD1 3.3Å
213E86.6Confident90.8Very high179 Ų17945.2 Ų45.284%0.83623%0.233SC*.THydrogen-bonded Turntrans-58.4-29.5179.1-63.8-176175.100113.1C215 S219E213-C215 PolarHBondContact O-N 3.01Å; E213-S219 PolarHBondContact O-OG 3.48Å; E213-S219 VanDerWaalsContact O-OG 3.11Å
214S88.4Confident90.9Very high107 Ų10753.3 Ų53.375%0.74827%0.268SS*.THydrogen-bonded Turntrans-69-16.7174.255.60000114.4T212T212-S214 PolarHBondContact O-N 3.33Å; T212-S214 VanDerWaalsContact O-N 3.16Å; T212-S214 PolarHBondContact OG1-OG 2.79Å
215C87.9Confident91.5Very high13 Ų1355.7 Ų55.79%0.08828%0.278CS..  trans-85.9117.1175.7176.80000109.5W208 Q210 T212 E213 E217 Y218 S219W208-C215 VanDerWaalsContact CB-SG 3.52Å; Q210-C215 VanDerWaalsContact O-CB 3.31Å; Q210-C215 WeakPolarHBondContact O-CB 3.32Å; T212-C215 WeakPolarHBondContact O-CB 3.23Å; T212-C215 PolarHBondContact O-N 3.26Å; E213-C215 PolarHBondContact O-N 3.01Å; C215-E217 VanDerWaalsContact C-N 3.34Å; C215-E217 PolarHBondContact O-N 3.37Å; C215-E217 PolarHBondContact SG-OE2 3.08Å; C215-E217 VanDerWaalsContact SG-OE2 3.38Å; C215-Y218 PolarHBondContact O-N 3.49Å; C215-S219 PolarHBondContact O-N 2.72Å; C215-S219 PolarHBondContact O-OG 2.76Å
216Q91.1Very high92Very high113 Ų11357.4 Ų57.453%0.52829%0.29SS..Hα-helixtrans-62.2-42.2-177.7-176.259.453.800111.6Y218 S219 D220Q216-Y218 VanDerWaalsContact C-N 3.32Å; Q216-Y218 PolarHBondContact O-N 3.35Å; Q216-S219 WeakPolarHBondContact O-CB 3.24Å; Q216-S219 PolarHBondContact O-N 3.34Å; Q216-D220 PolarHBondContact NE2-OD1 3.03Å; Q216-D220 WeakPolarHBondContact O-CB 3.37Å; Q216-D220 VanDerWaalsContact O-CG 3.26Å; Q216-D220 PolarHBondContact O-N 3.11Å
217E91.9Very high92.3Very high67 Ų6764 Ų6431%0.31332%0.315SS..Hα-helixtrans-66.1-35.5-179.1-59.297.1135.400112.3P207 W208 C215 W221 R399P207-E217 WeakPolarHBondContact O-CB 3.32Å; W208-E217 HydrophobicContact CB-CB 4.35Å; C215-E217 VanDerWaalsContact C-N 3.34Å; C215-E217 PolarHBondContact O-N 3.37Å; C215-E217 PolarHBondContact SG-OE2 3.08Å; C215-E217 VanDerWaalsContact SG-OE2 3.38Å; E217-W221 PolarHBondContact O-N 3.34Å; E217-W221 VanDerWaalsContact O-N 3.08Å; E217-R399 IonicContact OE1-CZ 3.3Å; E217-R399 IonicContact OE1-NE 2.75Å; E217-R399 PolarHBondContact OE1-NE 3.39Å; E217-R399 IonicContact OE1-NH2 2.6Å; E217-R399 PolarHBondContact OE1-NH2 3.28Å
218Y95.7Very high92.4Very high18 Ų1866.3 Ų66.37%0.07133%0.327CS..Hα-helixtrans-67.5-45.7172-179.6-114.4000111.4W192 W208 P211 T212 C215 Q216 D220 W221 I222 P248W192-Y218 AromaticContact CH2-CE2 3.97Å; W192-Y218 HydrophobicContact CH2-CE2 3.97Å; W192-Y218 HydrophobicContact CZ2-CE2 4.46Å; W208-Y218 HydrophobicContact CD2-CD2 4.09Å; W208-Y218 AromaticContact CE3-CD2 3.96Å; W208-Y218 HydrophobicContact CE3-CD2 3.96Å; W208-Y218 HydrophobicContact CH2-CD2 4.2Å; W208-Y218 HydrophobicContact CZ2-CD2 4.31Å; W208-Y218 HydrophobicContact CZ3-CD2 4.01Å; P211-Y218 VanDerWaalsContact C-CD1 3.48Å; P211-Y218 HydrophobicContact CB-CD1 4.34Å; P211-Y218 HydrophobicContact CB-CD2 3.53Å; P211-Y218 HydrophobicContact CB-CE1 4.24Å; P211-Y218 HydrophobicContact CB-CE2 3.44Å; P211-Y218 VanDerWaalsContact CB-CE2 3.44Å; P211-Y218 HydrophobicContact CB-CG 3.98Å; P211-Y218 WeakPolarHBondContact O-CE1 3.47Å; T212-Y218 WeakPolarHBondContact O-CD1 3.3Å; C215-Y218 PolarHBondContact O-N 3.49Å; Q216-Y218 VanDerWaalsContact C-N 3.32Å; Q216-Y218 PolarHBondContact O-N 3.35Å; Y218-D220 VanDerWaalsContact C-N 3.28Å; Y218-D220 PolarHBondContact O-N 3.33Å; Y218-W221 WeakPolarHBondContact O-CB 3.26Å; Y218-W221 PolarHBondContact O-N 2.92Å; Y218-W221 VanDerWaalsContact O-N 3.1Å; Y218-I222 HydrophobicContact CD1-CG1 4.45Å; Y218-I222 HydrophobicContact CE1-CD1 4.34Å; Y218-I222 HydrophobicContact CE1-CG1 4.15Å; Y218-I222 HydrophobicContact CE2-CD1 3.86Å; Y218-I222 HydrophobicContact CE2-CG1 4.34Å; Y218-I222 WeakPolarHBondContact O-CG1 3.29Å; Y218-I222 PolarHBondContact O-N 3.08Å; Y218-P248 WeakPolarHBondContact OH-CB 3.41Å; Y218-P248 WeakPolarHBondContact OH-CG 3.36Å
219S96Very high92.1Very high28 Ų2869 Ų6920%0.19634%0.344CS..Hα-helixtrans-57.7-40.5174.7-73.70000112.5E213 C215 Q216 W221 I222 Q223E213-S219 PolarHBondContact O-OG 3.48Å; E213-S219 VanDerWaalsContact O-OG 3.11Å; C215-S219 PolarHBondContact O-N 2.72Å; C215-S219 PolarHBondContact O-OG 2.76Å; Q216-S219 WeakPolarHBondContact O-CB 3.24Å; Q216-S219 PolarHBondContact O-N 3.34Å; S219-W221 VanDerWaalsContact C-N 3.34Å; S219-W221 PolarHBondContact O-N 3.18Å; S219-I222 PolarHBondContact O-N 2.88Å; S219-Q223 VanDerWaalsContact O-CG 3.29Å; S219-Q223 WeakPolarHBondContact O-CG 3.43Å; S219-Q223 PolarHBondContact O-N 3.14Å
220D96.1Very high92.9Very high23 Ų2366.9 Ų66.912%0.12333%0.333CS..Hα-helixtrans-64.8-37.5176.1-74.3-20.4000112.3Q216 Y218 Q223 K224 K225 L228Q216-D220 PolarHBondContact NE2-OD1 3.03Å; Q216-D220 WeakPolarHBondContact O-CB 3.37Å; Q216-D220 VanDerWaalsContact O-CG 3.26Å; Q216-D220 PolarHBondContact O-N 3.11Å; Y218-D220 VanDerWaalsContact C-N 3.28Å; Y218-D220 PolarHBondContact O-N 3.33Å; D220-Q223 CarbonylContact O-C 3.46Å; D220-Q223 PolarHBondContact O-N 3.32Å; D220-K224 PolarHBondContact O-N 3.14Å; D220-K225 HydrophobicContact CB-CB 4.18Å; D220-K225 HydrophobicContact CB-CD 3.89Å; D220-K225 WeakPolarHBondContact O-CB 3.41Å; D220-K225 PolarHBondContact O-N 3.3Å; D220-K225 VanDerWaalsContact OD1-CD 3.29Å; D220-K225 WeakPolarHBondContact OD1-CD 3.36Å; D220-K225 IonicContact OD1-NZ 3.62Å; D220-K225 PolarHBondContact OD1-NZ 2.86Å; D220-L228 HydrophobicContact CB-CD1 4.07Å; D220-L228 WeakPolarHBondContact OD2-CD1 3.24Å
221W96.9Very high93.5Very high20 Ų2064 Ų648%0.07632%0.32CS..Hα-helixtrans-63.8-44.4172.8170.1-109.2000112.6W208 E217 Y218 S219 Q223 K224 T226 W231 L239 L246W208-W221 HydrophobicContact CE3-CB 4.35Å; W208-W221 HydrophobicContact CH2-CB 4.37Å; W208-W221 AromaticContact CH2-CD1 3.61Å; W208-W221 HydrophobicContact CH2-CD2 4.35Å; W208-W221 AromaticContact CH2-CG 3.87Å; W208-W221 HydrophobicContact CH2-CG 3.87Å; W208-W221 AromaticContact CH2-NE1 3.96Å; W208-W221 HydrophobicContact CZ3-CB 3.54Å; W208-W221 AromaticContact CZ3-CD1 3.65Å; W208-W221 HydrophobicContact CZ3-CD2 4.23Å; W208-W221 AromaticContact CZ3-CG 3.52Å; W208-W221 HydrophobicContact CZ3-CG 3.52Å; E217-W221 PolarHBondContact O-N 3.34Å; E217-W221 VanDerWaalsContact O-N 3.08Å; Y218-W221 WeakPolarHBondContact O-CB 3.26Å; Y218-W221 PolarHBondContact O-N 2.92Å; Y218-W221 VanDerWaalsContact O-N 3.1Å; S219-W221 VanDerWaalsContact C-N 3.34Å; S219-W221 PolarHBondContact O-N 3.18Å; W221-Q223 PolarHBondContact O-N 3.32Å; W221-K224 WeakPolarHBondContact O-CA 3.08Å; W221-K224 PolarHBondContact O-N 2.94Å; W221-T226 HydrophobicContact CZ3-CG2 4.31Å; W221-W231 HydrophobicContact CB-CZ2 4.35Å; W221-W231 HydrophobicContact CD2-CH2 4.26Å; W221-W231 AromaticContact CD2-CZ2 3.86Å; W221-W231 HydrophobicContact CD2-CZ2 3.86Å; W221-W231 AromaticContact CE3-CD2 3.65Å; W221-W231 HydrophobicContact CE3-CD2 3.65Å; W221-W231 AromaticContact CE3-CE2 3.34Å; W221-W231 HydrophobicContact CE3-CE3 4.08Å; W221-W231 HydrophobicContact CE3-CG 4.22Å; W221-W231 AromaticContact CE3-CH2 3.93Å; W221-W231 HydrophobicContact CE3-CH2 3.93Å; W221-W231 AromaticContact CE3-CZ2 3.5Å; W221-W231 HydrophobicContact CE3-CZ2 3.5Å; W221-W231 VanDerWaalsContact CE3-CZ2 3.5Å; W221-W231 HydrophobicContact CE3-CZ3 4.21Å; W221-W231 AromaticContact CE3-NE1 3.73Å; W221-W231 HydrophobicContact CG-CZ2 4.24Å; W221-W231 HydrophobicContact CH2-CE3 4.44Å; W221-W231 HydrophobicContact CH2-CZ3 4.32Å; W221-W231 AromaticContact CZ3-CD2 3.65Å; W221-W231 HydrophobicContact CZ3-CD2 3.65Å; W221-W231 AromaticContact CZ3-CE2 3.83Å; W221-W231 AromaticContact CZ3-CE3 3.68Å; W221-W231 HydrophobicContact CZ3-CE3 3.68Å; W221-W231 HydrophobicContact CZ3-CG 4.27Å; W221-W231 HydrophobicContact CZ3-CH2 4.05Å; W221-W231 HydrophobicContact CZ3-CZ2 4.04Å; W221-W231 AromaticContact CZ3-CZ3 3.89Å; W221-W231 HydrophobicContact CZ3-CZ3 3.89Å; W221-L239 HydrophobicContact CZ3-CD1 4.42Å; W221-L246 HydrophobicContact CZ2-CB 3.71Å; W221-L246 HydrophobicContact CZ2-CD1 4.49Å; W221-L246 PolarHBondContact NE1-O 2.79Å
222I96.4Very high93.6Very high82 Ų8270.1 Ų70.142%0.42135%0.346SS..Hα-helixtrans-59.9-38.2175-59.1-45000111.1Y218 S219 K224 P248Y218-I222 HydrophobicContact CD1-CG1 4.45Å; Y218-I222 HydrophobicContact CE1-CD1 4.34Å; Y218-I222 HydrophobicContact CE1-CG1 4.15Å; Y218-I222 HydrophobicContact CE2-CD1 3.86Å; Y218-I222 HydrophobicContact CE2-CG1 4.34Å; Y218-I222 WeakPolarHBondContact O-CG1 3.29Å; Y218-I222 PolarHBondContact O-N 3.08Å; S219-I222 PolarHBondContact O-N 2.88Å; I222-K224 PolarHBondContact O-N 3.11Å; I222-P248 HydrophobicContact CD1-CG 3.25Å
223Q96.6Very high93.7Very high116 Ų11672.3 Ų72.354%0.54235%0.353SS..THydrogen-bonded Turntrans-76.55.2175-66.1172.219.100113.4S219 D220 W221 K225S219-Q223 VanDerWaalsContact O-CG 3.29Å; S219-Q223 WeakPolarHBondContact O-CG 3.43Å; S219-Q223 PolarHBondContact O-N 3.14Å; D220-Q223 CarbonylContact O-C 3.46Å; D220-Q223 PolarHBondContact O-N 3.32Å; W221-Q223 PolarHBondContact O-N 3.32Å; Q223-K225 HydrophobicContact CB-CD 4.48Å; Q223-K225 HydrophobicContact CB-CG 4.2Å; Q223-K225 PolarHBondContact O-N 2.85Å
224K96.1Very high94.2Very high170 Ų17064.4 Ų64.474%0.73932%0.316SS*.THydrogen-bonded Turntrans57.631.5179.3-55.9179.8-179.7176.60113.7D220 W221 I222 T226D220-K224 PolarHBondContact O-N 3.14Å; W221-K224 WeakPolarHBondContact O-CA 3.08Å; W221-K224 PolarHBondContact O-N 2.94Å; I222-K224 PolarHBondContact O-N 3.11Å; K224-T226 PolarHBondContact O-N 2.82Å
225K96.9Very high94.5Very high50 Ų5064.7 Ų64.722%0.21731%0.306CS..  trans-74.760.5175.7-64.8177.2179.7159.70111.8D220 Q223 Y227 L228D220-K225 HydrophobicContact CB-CB 4.18Å; D220-K225 HydrophobicContact CB-CD 3.89Å; D220-K225 WeakPolarHBondContact O-CB 3.41Å; D220-K225 PolarHBondContact O-N 3.3Å; D220-K225 VanDerWaalsContact OD1-CD 3.29Å; D220-K225 WeakPolarHBondContact OD1-CD 3.36Å; D220-K225 IonicContact OD1-NZ 3.62Å; D220-K225 PolarHBondContact OD1-NZ 2.86Å; Q223-K225 HydrophobicContact CB-CD 4.48Å; Q223-K225 HydrophobicContact CB-CG 4.2Å; Q223-K225 PolarHBondContact O-N 2.85Å; K225-Y227 HydrophobicContact CB-CD1 4.32Å; K225-Y227 HydrophobicContact CB-CE1 3.69Å; K225-Y227 HydrophobicContact CG-CE1 3.82Å; K225-Y227 PolarHBondContact O-N 2.76Å; K225-Y227 VanDerWaalsContact O-N 3.13Å; K225-L228 HydrophobicContact CB-CD1 3.88Å; K225-L228 HydrophobicContact CB-CG 4.28Å; K225-L228 HydrophobicContact CD-CD1 4.04Å; K225-L228 WeakPolarHBondContact O-CB 3.27Å; K225-L228 PolarHBondContact O-N 2.98Å; K225-L228 VanDerWaalsContact O-N 3.1Å
226T96Very high94.9Very high57 Ų5768.9 Ų68.935%0.3533%0.333SS..THydrogen-bonded Turntrans-69.7-6.1-177.753.70000114.1W221 K224 W231 K232 L239W221-T226 HydrophobicContact CZ3-CG2 4.31Å; K224-T226 PolarHBondContact O-N 2.82Å; T226-W231 HydrophobicContact CG2-CB 4.45Å; T226-W231 CarbonylContact O-C 3.59Å; T226-W231 VanDerWaalsContact O-CB 3.3Å; T226-W231 WeakPolarHBondContact O-CB 3.4Å; T226-K232 PolarHBondContact O-N 2.67Å; T226-L239 HydrophobicContact CG2-CD2 4.3Å
227Y95.3Very high95.2Very high155 Ų15566 Ų6661%0.60832%0.32SS*.THydrogen-bonded Turntrans-78.4-7.9170.662.3-92.7000113.1K225 K232K225-Y227 HydrophobicContact CB-CD1 4.32Å; K225-Y227 HydrophobicContact CB-CE1 3.69Å; K225-Y227 HydrophobicContact CG-CE1 3.82Å; K225-Y227 PolarHBondContact O-N 2.76Å; K225-Y227 VanDerWaalsContact O-N 3.13Å; Y227-K232 WeakPolarHBondContact O-CB 3.44Å; Y227-K232 WeakPolarHBondContact O-CD 3.37Å
228L93.3Very high95.5Very high52 Ų5262.8 Ų62.827%0.27231%0.305SS..SBendtrans-90.9156174-62.2176.4000111.3D220 K225 W231 K232D220-L228 HydrophobicContact CB-CD1 4.07Å; D220-L228 WeakPolarHBondContact OD2-CD1 3.24Å; K225-L228 HydrophobicContact CB-CD1 3.88Å; K225-L228 HydrophobicContact CB-CG 4.28Å; K225-L228 HydrophobicContact CD-CD1 4.04Å; K225-L228 WeakPolarHBondContact O-CB 3.27Å; K225-L228 PolarHBondContact O-N 2.98Å; K225-L228 VanDerWaalsContact O-N 3.1Å; L228-W231 WeakPolarHBondContact O-CB 3.49Å; L228-W231 PolarHBondContact O-N 2.79Å; L228-K232 PolarHBondContact O-N 3.17Å
229P86Confident95.6Very high55 Ų5563.2 Ų63.236%0.35731%0.309SS..THydrogen-bonded Turntrans-62.3150.5168.7-6.619000111.7E205 W231 K232E205-P229 WeakPolarHBondContact OE1-CB 3.11Å; P229-W231 VanDerWaalsContact C-N 3.32Å; P229-K232 HydrophobicContact CG-CD 4.17Å
230P94.3Very high95.7Very high3 Ų364.7 Ų64.72%0.01932%0.319CS..THydrogen-bonded Turncis-73.1-17.9-5.624.7-30.9000114.6T199 A203 E205 P207 K232 K233T199-P230 HydrophobicContact CG2-CB 4.11Å; T199-P230 HydrophobicContact CG2-CG 3.69Å; A203-P230 HydrophobicContact CB-CB 3.48Å; A203-P230 VanDerWaalsContact CB-CB 3.48Å; E205-P230 HydrophobicContact CG-CB 3.61Å; E205-P230 HydrophobicContact CG-CG 4.38Å; E205-P230 VanDerWaalsContact OE1-CA 3.28Å; E205-P230 WeakPolarHBondContact OE1-CA 2.96Å; P207-P230 HydrophobicContact CB-CG 3.93Å; P230-K232 VanDerWaalsContact C-N 3.29Å; P230-K232 PolarHBondContact O-N 2.79Å; P230-K232 VanDerWaalsContact O-N 3.15Å; P230-K233 WeakPolarHBondContact O-CB 3.44Å; P230-K233 PolarHBondContact O-N 3.15Å
231W97.3Very high95.8Very high5 Ų563.6 Ų63.62%0.01931%0.313CS..G310 helixtrans-57.3-38.1-164.8-42.6115000113.8T199 P207 W208 W221 T226 L228 P229 K233 I234 L239 L242 L246T199-W231 HydrophobicContact CG2-CH2 4.17Å; T199-W231 HydrophobicContact CG2-CZ3 3.82Å; P207-W231 HydrophobicContact CB-CH2 3.39Å; P207-W231 HydrophobicContact CB-CZ2 3.34Å; P207-W231 HydrophobicContact CB-CZ3 4.45Å; P207-W231 HydrophobicContact CG-CH2 4.13Å; P207-W231 HydrophobicContact CG-CZ2 4.46Å; W208-W231 HydrophobicContact CE3-CZ2 4.29Å; W208-W231 HydrophobicContact CH2-CH2 4.08Å; W208-W231 HydrophobicContact CH2-CZ2 4.02Å; W208-W231 HydrophobicContact CZ3-CH2 4.06Å; W208-W231 AromaticContact CZ3-CZ2 3.53Å; W208-W231 HydrophobicContact CZ3-CZ2 3.53Å; W221-W231 HydrophobicContact CB-CZ2 4.35Å; W221-W231 HydrophobicContact CD2-CH2 4.26Å; W221-W231 AromaticContact CD2-CZ2 3.86Å; W221-W231 HydrophobicContact CD2-CZ2 3.86Å; W221-W231 AromaticContact CE3-CD2 3.65Å; W221-W231 HydrophobicContact CE3-CD2 3.65Å; W221-W231 AromaticContact CE3-CE2 3.34Å; W221-W231 HydrophobicContact CE3-CE3 4.08Å; W221-W231 HydrophobicContact CE3-CG 4.22Å; W221-W231 AromaticContact CE3-CH2 3.93Å; W221-W231 HydrophobicContact CE3-CH2 3.93Å; W221-W231 AromaticContact CE3-CZ2 3.5Å; W221-W231 HydrophobicContact CE3-CZ2 3.5Å; W221-W231 VanDerWaalsContact CE3-CZ2 3.5Å; W221-W231 HydrophobicContact CE3-CZ3 4.21Å; W221-W231 AromaticContact CE3-NE1 3.73Å; W221-W231 HydrophobicContact CG-CZ2 4.24Å; W221-W231 HydrophobicContact CH2-CE3 4.44Å; W221-W231 HydrophobicContact CH2-CZ3 4.32Å; W221-W231 AromaticContact CZ3-CD2 3.65Å; W221-W231 HydrophobicContact CZ3-CD2 3.65Å; W221-W231 AromaticContact CZ3-CE2 3.83Å; W221-W231 AromaticContact CZ3-CE3 3.68Å; W221-W231 HydrophobicContact CZ3-CE3 3.68Å; W221-W231 HydrophobicContact CZ3-CG 4.27Å; W221-W231 HydrophobicContact CZ3-CH2 4.05Å; W221-W231 HydrophobicContact CZ3-CZ2 4.04Å; W221-W231 AromaticContact CZ3-CZ3 3.89Å; W221-W231 HydrophobicContact CZ3-CZ3 3.89Å; T226-W231 HydrophobicContact CG2-CB 4.45Å; T226-W231 CarbonylContact O-C 3.59Å; T226-W231 VanDerWaalsContact O-CB 3.3Å; T226-W231 WeakPolarHBondContact O-CB 3.4Å; L228-W231 WeakPolarHBondContact O-CB 3.49Å; L228-W231 PolarHBondContact O-N 2.79Å; P229-W231 VanDerWaalsContact C-N 3.32Å; W231-K233 PolarHBondContact O-N 3.03Å; W231-K233 VanDerWaalsContact O-N 3.12Å; W231-I234 HydrophobicContact CE3-CD1 4.25Å; W231-I234 PolarHBondContact O-N 3.21Å; W231-L239 HydrophobicContact CB-CD1 4.16Å; W231-L239 HydrophobicContact CE3-CD1 3.98Å; W231-L242 HydrophobicContact CZ3-CD1 4.44Å; W231-L246 HydrophobicContact CH2-CD1 3.69Å; W231-L246 HydrophobicContact CZ3-CD1 4.05Å
232K95.3Very high95.9Very high132 Ų13262.7 Ų62.757%0.57431%0.31SS*.G310 helixtrans-61.7-20178.676.3-178.4-169.6-176.20114.6T226 Y227 L228 P229 P230T226-K232 PolarHBondContact O-N 2.67Å; Y227-K232 WeakPolarHBondContact O-CB 3.44Å; Y227-K232 WeakPolarHBondContact O-CD 3.37Å; L228-K232 PolarHBondContact O-N 3.17Å; P229-K232 HydrophobicContact CG-CD 4.17Å; P230-K232 VanDerWaalsContact C-N 3.29Å; P230-K232 PolarHBondContact O-N 2.79Å; P230-K232 VanDerWaalsContact O-N 3.15Å
233K93.9Very high96Very high73 Ų7361.3 Ų61.332%0.31731%0.307SS..G310 helixtrans-84.9-15.5178.7-59.1175.4178.7173.60112D99 A203 E205 P230 W231D99-K233 WeakPolarHBondContact O-CE 3.19Å; D99-K233 PolarHBondContact O-NZ 3.36Å; D99-K233 IonicContact OD1-NZ 2.76Å; A203-K233 HydrophobicContact CB-CB 4.43Å; A203-K233 HydrophobicContact CB-CD 4.31Å; E205-K233 VanDerWaalsContact CD-NZ 3.3Å; E205-K233 WeakPolarHBondContact OE1-CE 3.5Å; E205-K233 IonicContact OE1-NZ 3.09Å; E205-K233 PolarHBondContact OE1-NZ 2.89Å; E205-K233 IonicContact OE2-NZ 3.46Å; P230-K233 WeakPolarHBondContact O-CB 3.44Å; P230-K233 PolarHBondContact O-N 3.15Å; W231-K233 PolarHBondContact O-N 3.03Å; W231-K233 VanDerWaalsContact O-N 3.12Å
234I96.6Very high96Very high13 Ų1359.1 Ų59.17%0.06730%0.296CS..SBendtrans-96.7134.5-170.3-56.1179.4000109.7T199 L202 A203 W231 P238 L239 L242T199-I234 HydrophobicContact CG2-CD1 4.24Å; L202-I234 HydrophobicContact CB-CD1 4.26Å; L202-I234 HydrophobicContact CB-CG1 4.08Å; L202-I234 HydrophobicContact CB-CG2 4.45Å; L202-I234 HydrophobicContact CD1-CG2 3.86Å; A203-I234 HydrophobicContact CB-CD1 4.26Å; A203-I234 HydrophobicContact CB-CG1 4.18Å; W231-I234 HydrophobicContact CE3-CD1 4.25Å; W231-I234 PolarHBondContact O-N 3.21Å; I234-P238 HydrophobicContact CG2-CB 4.04Å; I234-P238 HydrophobicContact CG2-CG 3.83Å; I234-L239 HydrophobicContact CG2-CB 4.08Å; I234-L242 HydrophobicContact CD1-CD1 3.58Å; I234-L242 HydrophobicContact CG2-CD1 4.18Å
235Q95.9Very high96.2Very high113 Ų11351 Ų5153%0.52826%0.261SS..  trans-61.8152177.6-65.2-59.6-43.300111.6E104 M237 P238 L239E104-Q235 WeakPolarHBondContact OE2-CG 2.86Å; Q235-M237 VanDerWaalsContact C-N 3.26Å; Q235-M237 PolarHBondContact O-N 3.45Å; Q235-M237 VanDerWaalsContact O-N 3.15Å; Q235-P238 HydrophobicContact CB-CG 3.89Å; Q235-P238 WeakPolarHBondContact O-CD 3.42Å; Q235-P238 VanDerWaalsContact O-CG 3.3Å; Q235-P238 WeakPolarHBondContact O-CG 3.32Å; Q235-L239 VanDerWaalsContact O-CB 3.29Å; Q235-L239 WeakPolarHBondContact O-CB 3.43Å; Q235-L239 PolarHBondContact O-N 2.98Å
236P96.4Very high96.2Very high102 Ų10248.7 Ų48.766%0.66225%0.251SS*.Hα-helixtrans-57.5-35.1-174.6-28.235.5000114.8L239 S240P236-L239 PolarHBondContact O-N 3.46Å; P236-S240 PolarHBondContact O-N 3.44Å
237M96.3Very high96.3Very high51 Ų5148.8 Ų48.825%0.25125%0.249SC..Hα-helixtrans-69.4-52.9-176.4-168.9162.9164.500112.8Q235 L239 S240 L241 R263 W264 Q267Q235-M237 VanDerWaalsContact C-N 3.26Å; Q235-M237 PolarHBondContact O-N 3.45Å; Q235-M237 VanDerWaalsContact O-N 3.15Å; M237-L239 VanDerWaalsContact C-N 3.33Å; M237-L239 PolarHBondContact O-N 3.35Å; M237-S240 PolarHBondContact O-N 2.91Å; M237-L241 PolarHBondContact O-N 3.24Å; M237-R263 HydrophobicContact CE-CB 4Å; M237-R263 HydrophobicContact CE-CG 3.5Å; M237-R263 WeakPolarHBondContact CE-O 3.24Å; M237-W264 HydrophobicContact CE-CB 4.39Å; M237-W264 HydrophobicContact CG-CB 3.84Å; M237-W264 HydrophobicContact CG-CG 4.25Å; M237-Q267 HydrophobicContact CE-CB 3.94Å
238P97.4Very high96.4Very high0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-63.7-35.117017.8-25.8000113.2L202 I234 Q235 S240 L241 L242 W264L202-P238 HydrophobicContact CD1-CB 3.61Å; L202-P238 HydrophobicContact CD1-CG 4.21Å; I234-P238 HydrophobicContact CG2-CB 4.04Å; I234-P238 HydrophobicContact CG2-CG 3.83Å; Q235-P238 HydrophobicContact CB-CG 3.89Å; Q235-P238 WeakPolarHBondContact O-CD 3.42Å; Q235-P238 VanDerWaalsContact O-CG 3.3Å; Q235-P238 WeakPolarHBondContact O-CG 3.32Å; P238-S240 VanDerWaalsContact C-N 3.27Å; P238-S240 PolarHBondContact O-N 2.96Å; P238-L241 PolarHBondContact O-N 3.5Å; P238-L241 VanDerWaalsContact O-N 3.1Å; P238-L242 PolarHBondContact O-N 2.84Å; P238-W264 HydrophobicContact CB-CD2 3.98Å; P238-W264 HydrophobicContact CB-CG 4.08Å; P238-W264 HydrophobicContact CB-CZ2 4.2Å; P238-W264 VanDerWaalsContact CD-CD1 3.43Å
239L98.1Very high96.5Very high27 Ų2748.4 Ų48.414%0.14125%0.248CC..Hα-helixtrans-61.8-36.2177.7-175.762000112.2W221 T226 W231 I234 Q235 P236 M237 L242 S243W221-L239 HydrophobicContact CZ3-CD1 4.42Å; T226-L239 HydrophobicContact CG2-CD2 4.3Å; W231-L239 HydrophobicContact CB-CD1 4.16Å; W231-L239 HydrophobicContact CE3-CD1 3.98Å; I234-L239 HydrophobicContact CG2-CB 4.08Å; Q235-L239 VanDerWaalsContact O-CB 3.29Å; Q235-L239 WeakPolarHBondContact O-CB 3.43Å; Q235-L239 PolarHBondContact O-N 2.98Å; P236-L239 PolarHBondContact O-N 3.46Å; M237-L239 VanDerWaalsContact C-N 3.33Å; M237-L239 PolarHBondContact O-N 3.35Å; L239-L242 PolarHBondContact O-N 2.95Å; L239-S243 PolarHBondContact O-N 2.91Å
240S98Very high97Very high60 Ų6047.3 Ų47.342%0.4224%0.241SC..Hα-helixtrans-62.4-40.7173.3179.70000112.1P236 M237 P238 S243 K244P236-S240 PolarHBondContact O-N 3.44Å; M237-S240 PolarHBondContact O-N 2.91Å; P238-S240 VanDerWaalsContact C-N 3.27Å; P238-S240 PolarHBondContact O-N 2.96Å; S240-S243 PolarHBondContact O-N 3.35Å; S240-S243 PolarHBondContact O-OG 2.96Å; S240-K244 WeakPolarHBondContact O-CE 3.42Å
241L98.6Very high97.1Very high0 Ų052.5 Ų52.50%027%0.269CS..Hα-helixtrans-65.9-44173.7178.358.2000111.4F111 L198 M237 P238 S243 K244 L245 I254 I259 D262 W264F111-L241 HydrophobicContact CE1-CD2 3.92Å; L198-L241 HydrophobicContact CD2-CD2 4.39Å; M237-L241 PolarHBondContact O-N 3.24Å; P238-L241 PolarHBondContact O-N 3.5Å; P238-L241 VanDerWaalsContact O-N 3.1Å; L241-S243 VanDerWaalsContact C-N 3.28Å; L241-S243 PolarHBondContact O-N 3.3Å; L241-K244 WeakPolarHBondContact O-CB 3.37Å; L241-K244 PolarHBondContact O-N 2.93Å; L241-L245 HydrophobicContact CD1-CD1 4.26Å; L241-L245 HydrophobicContact CD1-CG 4.21Å; L241-L245 HydrophobicContact CD2-CD1 4.31Å; L241-L245 HydrophobicContact CG-CD1 3.78Å; L241-L245 HydrophobicContact CG-CG 4.23Å; L241-L245 PolarHBondContact O-N 2.94Å; L241-I254 HydrophobicContact CD1-CD1 4.11Å; L241-I259 HydrophobicContact CD1-CG2 4.47Å; L241-D262 HydrophobicContact CD1-CB 3.99Å; L241-W264 HydrophobicContact CD2-CE3 3.6Å; L241-W264 HydrophobicContact CD2-CZ3 4.19Å
242L98.6Very high97.1Very high0 Ų055 Ų550%029%0.291CS..Hα-helixtrans-57.6-38.7176.4-73.7171.7000112.7G195 L198 T199 L202 W231 I234 P238 L239 K244 L245 L246G195-L242 VanDerWaalsContact O-CD2 3.26Å; G195-L242 WeakPolarHBondContact O-CD2 3.46Å; L198-L242 HydrophobicContact CB-CD2 4.04Å; L198-L242 HydrophobicContact CD2-CD2 3.88Å; L198-L242 HydrophobicContact CD2-CG 4.2Å; L198-L242 HydrophobicContact CG-CD2 4Å; T199-L242 WeakPolarHBondContact OG1-CD2 3.5Å; L202-L242 HydrophobicContact CD1-CD1 4.38Å; W231-L242 HydrophobicContact CZ3-CD1 4.44Å; I234-L242 HydrophobicContact CD1-CD1 3.58Å; I234-L242 HydrophobicContact CG2-CD1 4.18Å; P238-L242 PolarHBondContact O-N 2.84Å; L239-L242 PolarHBondContact O-N 2.95Å; L242-K244 PolarHBondContact O-N 2.86Å; L242-K244 VanDerWaalsContact O-N 3.13Å; L242-L245 HydrophobicContact CD2-CD1 4.29Å; L242-L245 PolarHBondContact O-N 3.08Å; L242-L246 HydrophobicContact CD2-CD1 4.37Å; L242-L246 WeakPolarHBondContact O-CB 3.36Å; L242-L246 PolarHBondContact O-N 3.2Å
243S98.2Very high97.2Very high53 Ų5349.1 Ų49.137%0.37127%0.265SS..Hα-helixtrans-61.9-19.9175.6730000114.6L239 S240 L241L239-S243 PolarHBondContact O-N 2.91Å; S240-S243 PolarHBondContact O-N 3.35Å; S240-S243 PolarHBondContact O-OG 2.96Å; L241-S243 VanDerWaalsContact C-N 3.28Å; L241-S243 PolarHBondContact O-N 3.3Å
244K98.5Very high97.4Very high71 Ų7146.7 Ų46.731%0.30926%0.255SS..Hα-helixtrans-97.4-33177.3-61.1179.5-70.2178.40112.3S240 L241 L242 I254 D262S240-K244 WeakPolarHBondContact O-CE 3.42Å; L241-K244 WeakPolarHBondContact O-CB 3.37Å; L241-K244 PolarHBondContact O-N 2.93Å; L242-K244 PolarHBondContact O-N 2.86Å; L242-K244 VanDerWaalsContact O-N 3.13Å; K244-I254 HydrophobicContact CB-CB 3.96Å; K244-I254 HydrophobicContact CB-CD1 4.19Å; K244-I254 HydrophobicContact CB-CG2 4.02Å; K244-I254 HydrophobicContact CD-CD1 4.21Å; K244-I254 WeakPolarHBondContact O-CG2 3.41Å; K244-I254 PolarHBondContact O-N 3.33Å; K244-D262 IonicContact NZ-OD2 3.49Å; K244-D262 PolarHBondContact NZ-OD2 3.42Å
245L98.6Very high97.5Very high0 Ų050.9 Ų50.90%028%0.276CS..Hα-helixtrans-69.2-44.6174-71.2167.6000111.8F111 V191 L198 L241 L242 L247 R253 I254 I259F111-L245 HydrophobicContact CE2-CD1 4.36Å; F111-L245 HydrophobicContact CZ-CD1 3.73Å; F111-L245 HydrophobicContact CZ-CD2 4.48Å; V191-L245 HydrophobicContact CG1-CD2 3.57Å; L198-L245 HydrophobicContact CD2-CD1 4.15Å; L241-L245 HydrophobicContact CD1-CD1 4.26Å; L241-L245 HydrophobicContact CD1-CG 4.21Å; L241-L245 HydrophobicContact CD2-CD1 4.31Å; L241-L245 HydrophobicContact CG-CD1 3.78Å; L241-L245 HydrophobicContact CG-CG 4.23Å; L241-L245 PolarHBondContact O-N 2.94Å; L242-L245 HydrophobicContact CD2-CD1 4.29Å; L242-L245 PolarHBondContact O-N 3.08Å; L245-L247 VanDerWaalsContact C-N 3.29Å; L245-L247 PolarHBondContact O-N 3.02Å; L245-R253 VanDerWaalsContact O-CD 3.24Å; L245-R253 WeakPolarHBondContact O-CD 3.42Å; L245-R253 WeakPolarHBondContact O-CG 3.19Å; L245-I254 HydrophobicContact CD2-CG2 3.74Å; L245-I254 HydrophobicContact CG-CG2 4.1Å; L245-I259 HydrophobicContact CD2-CD1 3.56Å; L245-I259 HydrophobicContact CD2-CG1 4.07Å
246L98.5Very high97.6Very high1 Ų146.2 Ų46.21%0.00526%0.255CS..THydrogen-bonded Turntrans-97.437.9-174.7-56.8179.6000111.9W192 I196 W208 W221 W231 L242W192-L246 HydrophobicContact CD2-CD2 3.92Å; W192-L246 HydrophobicContact CE3-CB 4.45Å; W192-L246 HydrophobicContact CE3-CD2 4.11Å; W192-L246 HydrophobicContact CG-CD2 4.34Å; W192-L246 HydrophobicContact CH2-CB 4.31Å; W192-L246 HydrophobicContact CZ2-CD2 4.38Å; W192-L246 HydrophobicContact CZ3-CB 4.1Å; W192-L246 HydrophobicContact CZ3-CD2 4.42Å; W192-L246 WeakPolarHBondContact CZ3-O 3.11Å; I196-L246 HydrophobicContact CD1-CD1 4.18Å; I196-L246 HydrophobicContact CD1-CD2 3.6Å; I196-L246 HydrophobicContact CG1-CD2 4.05Å; W208-L246 HydrophobicContact CH2-CD1 4.08Å; W208-L246 HydrophobicContact CZ2-CD1 4.34Å; W221-L246 HydrophobicContact CZ2-CB 3.71Å; W221-L246 HydrophobicContact CZ2-CD1 4.49Å; W221-L246 PolarHBondContact NE1-O 2.79Å; W231-L246 HydrophobicContact CH2-CD1 3.69Å; W231-L246 HydrophobicContact CZ3-CD1 4.05Å; L242-L246 HydrophobicContact CD2-CD1 4.37Å; L242-L246 WeakPolarHBondContact O-CB 3.36Å; L242-L246 PolarHBondContact O-N 3.2Å
247L97.6Very high97.7Very high59 Ų5943.5 Ų43.531%0.30924%0.241SC..  trans-80.6128.3172.2-156.782.5000109.6L245 R249 A252 R253L245-L247 VanDerWaalsContact C-N 3.29Å; L245-L247 PolarHBondContact O-N 3.02Å; L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 3.27Å; L247-A252 VanDerWaalsContact CD2-C 3.45Å; L247-A252 HydrophobicContact CD2-CB 3.36Å; L247-A252 VanDerWaalsContact CD2-O 3.32Å; L247-A252 WeakPolarHBondContact CD2-O 3.34Å; L247-R253 HydrophobicContact CB-CB 4.45Å; L247-R253 PolarHBondContact O-NE 3.14Å; L247-R253 PolarHBondContact O-NH2 2.67Å
248P96.3Very high97.8Very high43 Ų4344.3 Ų44.328%0.27925%0.247SC..SBendtrans-62.7-36.6-175.6-26.534.9000113.8P176 Y218 I222 P250 R253P176-P248 HydrophobicContact CG-CB 4.22Å; Y218-P248 WeakPolarHBondContact OH-CB 3.41Å; Y218-P248 WeakPolarHBondContact OH-CG 3.36Å; I222-P248 HydrophobicContact CD1-CG 3.25Å; P248-P250 WeakPolarHBondContact O-CD 3.35Å; P248-R253 PolarHBondContact O-NH2 2.91Å; P248-R253 VanDerWaalsContact O-NH2 3.16Å
249R96.2Very high97.9Very high156 Ų15644.3 Ų44.359%0.58925%0.247SC*.  trans-76.1114.4-179.9-80.7-169.767.3141.5-2.7110.3L247 D251 A252 R253L247-R249 VanDerWaalsContact C-N 3.3Å; L247-R249 PolarHBondContact O-N 3.27Å; R249-D251 VanDerWaalsContact C-N 3.29Å; R249-D251 WeakPolarHBondContact CB-OD1 3.22Å; R249-D251 IonicContact CZ-OD1 2.81Å; R249-D251 IonicContact CZ-OD2 2.75Å; R249-D251 IonicContact NE-OD1 2.93Å; R249-D251 PolarHBondContact NE-OD1 3.24Å; R249-D251 IonicContact NE-OD2 2.62Å; R249-D251 IonicContact NH2-OD1 3.19Å; R249-D251 IonicContact NH2-OD2 3.95Å; R249-D251 PolarHBondContact NH2-OD2 3.13Å; R249-D251 PolarHBondContact O-N 3.46Å; R249-A252 HydrophobicContact CB-CB 4.19Å; R249-A252 PolarHBondContact O-N 2.86Å; R249-R253 PolarHBondContact O-N 3.18Å; R249-R253 VanDerWaalsContact O-N 3.08Å
250P96.6Very high97.8Very high31 Ų3146.3 Ų46.320%0.20126%0.255CS..THydrogen-bonded Turntrans-67.5-28.7-175.526.1-34.1000113.2E177 P188 P248 R253E177-P250 HydrophobicContact CB-CG 4.47Å; E177-P250 HydrophobicContact CG-CG 4.39Å; P188-P250 HydrophobicContact CB-CB 3.83Å; P188-P250 HydrophobicContact CG-CB 4.23Å; P248-P250 WeakPolarHBondContact O-CD 3.35Å; P250-R253 PolarHBondContact O-N 3.09Å
251D95.9Very high97.8Very high113 Ų11350.4 Ų50.460%0.60427%0.265SS*.THydrogen-bonded Turntrans-71.6-28.417860.7-42.6000113.3R249R249-D251 VanDerWaalsContact C-N 3.29Å; R249-D251 WeakPolarHBondContact CB-OD1 3.22Å; R249-D251 IonicContact CZ-OD1 2.81Å; R249-D251 IonicContact CZ-OD2 2.75Å; R249-D251 IonicContact NE-OD1 2.93Å; R249-D251 PolarHBondContact NE-OD1 3.24Å; R249-D251 IonicContact NE-OD2 2.62Å; R249-D251 IonicContact NH2-OD1 3.19Å; R249-D251 IonicContact NH2-OD2 3.95Å; R249-D251 PolarHBondContact NH2-OD2 3.13Å; R249-D251 PolarHBondContact O-N 3.46Å
252A97Very high97.8Very high58 Ų5851.1 Ų51.148%0.47927%0.269SS..THydrogen-bonded Turntrans-99.4-6177.500000113L247 R249L247-A252 VanDerWaalsContact CD2-C 3.45Å; L247-A252 HydrophobicContact CD2-CB 3.36Å; L247-A252 VanDerWaalsContact CD2-O 3.32Å; L247-A252 WeakPolarHBondContact CD2-O 3.34Å; R249-A252 HydrophobicContact CB-CB 4.19Å; R249-A252 PolarHBondContact O-N 2.86Å
253R98.3Very high97.7Very high8 Ų858.7 Ų58.73%0.0330%0.298CS..SBendtrans-68.2139.8178.4-167.4177.7-61.3142.96.2109.9E177 P188 V191 L245 L247 P248 R249 P250 I255E177-R253 IonicContact OE1-CZ 3.63Å; E177-R253 IonicContact OE1-NH1 3.79Å; E177-R253 PolarHBondContact OE1-NH1 2.86Å; E177-R253 IonicContact OE1-NH2 2.83Å; E177-R253 PolarHBondContact OE1-NH2 3.13Å; E177-R253 IonicContact OE2-CZ 2.75Å; E177-R253 IonicContact OE2-NH1 2.7Å; E177-R253 IonicContact OE2-NH2 3.22Å; E177-R253 PolarHBondContact OE2-NH2 3.41Å; P188-R253 WeakPolarHBondContact O-CD 3.46Å; P188-R253 PolarHBondContact O-NH1 3.48Å; V191-R253 HydrophobicContact CG1-CG 4.44Å; L245-R253 VanDerWaalsContact O-CD 3.24Å; L245-R253 WeakPolarHBondContact O-CD 3.42Å; L245-R253 WeakPolarHBondContact O-CG 3.19Å; L247-R253 HydrophobicContact CB-CB 4.45Å; L247-R253 PolarHBondContact O-NE 3.14Å; L247-R253 PolarHBondContact O-NH2 2.67Å; P248-R253 PolarHBondContact O-NH2 2.91Å; P248-R253 VanDerWaalsContact O-NH2 3.16Å; R249-R253 PolarHBondContact O-N 3.18Å; R249-R253 VanDerWaalsContact O-N 3.08Å; P250-R253 PolarHBondContact O-N 3.09Å; R253-I255 PolarHBondContact O-N 3.06Å
254I98.5Very high97.6Very high21 Ų2156.2 Ų56.211%0.10828%0.28CS..PPolyproline II helixtrans-58.1137.4-178.6-165.5173.4000111.5V191 L241 K244 L245 D258 I259V191-I254 HydrophobicContact CG1-CG2 4.44Å; V191-I254 WeakPolarHBondContact CG1-O 3.43Å; L241-I254 HydrophobicContact CD1-CD1 4.11Å; K244-I254 HydrophobicContact CB-CB 3.96Å; K244-I254 HydrophobicContact CB-CD1 4.19Å; K244-I254 HydrophobicContact CB-CG2 4.02Å; K244-I254 HydrophobicContact CD-CD1 4.21Å; K244-I254 WeakPolarHBondContact O-CG2 3.41Å; K244-I254 PolarHBondContact O-N 3.33Å; L245-I254 HydrophobicContact CD2-CG2 3.74Å; L245-I254 HydrophobicContact CG-CG2 4.1Å; I254-D258 HydrophobicContact CD1-CB 4.17Å; I254-D258 HydrophobicContact CG1-CB 3.74Å; I254-I259 HydrophobicContact CB-CG1 4.48Å; I254-I259 HydrophobicContact CD1-CG1 3.94Å; I254-I259 HydrophobicContact CG1-CG1 3.99Å; I254-I259 HydrophobicContact CG2-CD1 4.22Å; I254-I259 HydrophobicContact CG2-CG1 3.78Å
255I98.3Very high97.6Very high101 Ų10153.8 Ų53.852%0.51827%0.27SS..PPolyproline II helixtrans-92.1158.7174.762.2170.6000111R253 A257 D258 I259R253-I255 PolarHBondContact O-N 3.06Å; I255-A257 VanDerWaalsContact C-N 3.26Å; I255-A257 HydrophobicContact CD1-CB 4.13Å; I255-A257 HydrophobicContact CG1-CB 4.35Å; I255-A257 PolarHBondContact O-N 3.17Å; I255-D258 HydrophobicContact CG1-CB 4.18Å; I255-D258 WeakPolarHBondContact CG1-OD2 3.41Å; I255-D258 WeakPolarHBondContact O-CA 3.24Å; I255-D258 PolarHBondContact O-N 3.29Å; I255-I259 WeakPolarHBondContact O-CG1 3.21Å; I255-I259 PolarHBondContact O-N 3.16Å
256I98.4Very high97.4Very high16 Ų1657.3 Ų57.38%0.08229%0.291CS..Hα-helixtrans-51.8-43.4-178.8-69.6178.1000112.8I115 V118 E119 V191 D258 I259 Q260I115-I256 HydrophobicContact CG2-CG2 3.92Å; V118-I256 HydrophobicContact CB-CD1 4.46Å; V118-I256 HydrophobicContact CG1-CD1 3.97Å; E119-I256 HydrophobicContact CB-CD1 4.13Å; E119-I256 HydrophobicContact CB-CG2 3.92Å; E119-I256 HydrophobicContact CG-CG2 3.94Å; V191-I256 HydrophobicContact CG2-CG1 4.13Å; I256-D258 PolarHBondContact O-N 3.36Å; I256-D258 VanDerWaalsContact O-N 3.16Å; I256-I259 HydrophobicContact CG1-CD1 4.38Å; I256-I259 WeakPolarHBondContact O-CB 2.77Å; I256-I259 PolarHBondContact O-N 2.8Å; I256-I259 VanDerWaalsContact O-N 3.13Å; I256-Q260 WeakPolarHBondContact O-CG 3.44Å; I256-Q260 PolarHBondContact O-N 3.38Å
257A98.1Very high96.9Very high44 Ų4461.3 Ų61.336%0.36431%0.31SS..Hα-helixtrans-58.2-30.1178.400000113.1I255 K261I255-A257 VanDerWaalsContact C-N 3.26Å; I255-A257 HydrophobicContact CD1-CB 4.13Å; I255-A257 HydrophobicContact CG1-CB 4.35Å; I255-A257 PolarHBondContact O-N 3.17Å; A257-K261 VanDerWaalsContact O-CE 3.25Å; A257-K261 WeakPolarHBondContact O-CE 3.32Å; A257-K261 WeakPolarHBondContact O-CG 3.37Å
258D98.3Very high96Very high69 Ų6958.7 Ų58.737%0.36930%0.298SS..Hα-helixtrans-92.8-26.7178.1-66.2-27.6000112.5I254 I255 I256 Q260 K261 D262I254-D258 HydrophobicContact CD1-CB 4.17Å; I254-D258 HydrophobicContact CG1-CB 3.74Å; I255-D258 HydrophobicContact CG1-CB 4.18Å; I255-D258 WeakPolarHBondContact CG1-OD2 3.41Å; I255-D258 WeakPolarHBondContact O-CA 3.24Å; I255-D258 PolarHBondContact O-N 3.29Å; I256-D258 PolarHBondContact O-N 3.36Å; I256-D258 VanDerWaalsContact O-N 3.16Å; D258-Q260 VanDerWaalsContact C-N 3.25Å; D258-Q260 PolarHBondContact O-N 3.37Å; D258-K261 PolarHBondContact O-N 2.78Å; D258-K261 IonicContact OD1-NZ 2.69Å; D258-K261 PolarHBondContact OD1-NZ 2.74Å; D258-D262 PolarHBondContact O-N 3.21Å
259I98.5Very high94.7Very high0 Ų060.3 Ų60.30%031%0.309CS..Hα-helixtrans-57.2-44.4166.1-62170.1000109.4F111 I115 V191 L241 L245 I254 I255 I256 K261 D262 F265F111-I259 HydrophobicContact CE1-CG2 4.06Å; I115-I259 HydrophobicContact CD1-CD1 4.01Å; I115-I259 HydrophobicContact CD1-CG2 4.39Å; I115-I259 HydrophobicContact CG1-CG2 4.21Å; I115-I259 HydrophobicContact CG2-CG2 4.44Å; V191-I259 HydrophobicContact CG1-CD1 4.02Å; L241-I259 HydrophobicContact CD1-CG2 4.47Å; L245-I259 HydrophobicContact CD2-CD1 3.56Å; L245-I259 HydrophobicContact CD2-CG1 4.07Å; I254-I259 HydrophobicContact CB-CG1 4.48Å; I254-I259 HydrophobicContact CD1-CG1 3.94Å; I254-I259 HydrophobicContact CG1-CG1 3.99Å; I254-I259 HydrophobicContact CG2-CD1 4.22Å; I254-I259 HydrophobicContact CG2-CG1 3.78Å; I255-I259 WeakPolarHBondContact O-CG1 3.21Å; I255-I259 PolarHBondContact O-N 3.16Å; I256-I259 HydrophobicContact CG1-CD1 4.38Å; I256-I259 WeakPolarHBondContact O-CB 2.77Å; I256-I259 PolarHBondContact O-N 2.8Å; I256-I259 VanDerWaalsContact O-N 3.13Å; I259-K261 PolarHBondContact O-N 3.47Å; I259-D262 WeakPolarHBondContact O-CB 3.38Å; I259-D262 PolarHBondContact O-N 3.24Å; I259-F265 HydrophobicContact CG2-CD2 3.74Å; I259-F265 HydrophobicContact CG2-CE2 4.1Å; I259-F265 HydrophobicContact CG2-CG 4.29Å; I259-F265 WeakPolarHBondContact O-CB 3.42Å; I259-F265 WeakPolarHBondContact O-CG 3.44Å
260Q97.4Very high92.9Very high69 Ų6959.9 Ų59.932%0.32231%0.313SS..THydrogen-bonded Turntrans-64.8-22.4-178.9-72.3174.2-14.600114.1E119 I256 D258 F265 T266E119-Q260 PolarHBondContact OE1-NE2 2.69Å; E119-Q260 PolarHBondContact OE2-NE2 3.2Å; I256-Q260 WeakPolarHBondContact O-CG 3.44Å; I256-Q260 PolarHBondContact O-N 3.38Å; D258-Q260 VanDerWaalsContact C-N 3.25Å; D258-Q260 PolarHBondContact O-N 3.37Å; Q260-F265 HydrophobicContact CB-CD1 4.49Å; Q260-F265 HydrophobicContact CB-CE1 4.27Å; Q260-F265 HydrophobicContact CG-CE1 3.99Å; Q260-F265 HydrophobicContact CG-CZ 4.28Å; Q260-T266 WeakPolarHBondContact O-CG2 3.37Å
261K97.6Very high90.6Very high146 Ų14669.3 Ų69.364%0.63535%0.345SS*.THydrogen-bonded Turntrans-92.3-9175.2-60.1169-160.1153.60112.6A257 D258 I259A257-K261 VanDerWaalsContact O-CE 3.25Å; A257-K261 WeakPolarHBondContact O-CE 3.32Å; A257-K261 WeakPolarHBondContact O-CG 3.37Å; D258-K261 PolarHBondContact O-N 2.78Å; D258-K261 IonicContact OD1-NZ 2.69Å; D258-K261 PolarHBondContact OD1-NZ 2.74Å; I259-K261 PolarHBondContact O-N 3.47Å
262D97.9Very high88.2Confident14 Ų1470.2 Ų70.28%0.07536%0.361CS..SBendtrans-61145.3-177.9-178.3-99.6000111.5L241 K244 D258 I259 W264 F265 T266L241-D262 HydrophobicContact CD1-CB 3.99Å; K244-D262 IonicContact NZ-OD2 3.49Å; K244-D262 PolarHBondContact NZ-OD2 3.42Å; D258-D262 PolarHBondContact O-N 3.21Å; I259-D262 WeakPolarHBondContact O-CB 3.38Å; I259-D262 PolarHBondContact O-N 3.24Å; D262-W264 PolarHBondContact O-N 2.88Å; D262-W264 WeakPolarHBondContact OD1-CA 3.43Å; D262-W264 VanDerWaalsContact OD1-CB 3.27Å; D262-W264 WeakPolarHBondContact OD1-CB 3.47Å; D262-W264 PolarHBondContact OD1-N 3.25Å; D262-F265 HydrophobicContact CB-CB 4.03Å; D262-F265 PolarHBondContact O-N 2.8Å; D262-F265 PolarHBondContact OD1-N 3.13Å; D262-T266 WeakPolarHBondContact O-CB 3.35Å; D262-T266 WeakPolarHBondContact O-CG2 3.46Å; D262-T266 PolarHBondContact O-N 2.82Å; D262-T266 PolarHBondContact O-OG1 3.22Å
263R96.3Very high85.6Confident160 Ų16070.5 Ų70.560%0.60437%0.369SS*.Hα-helixtrans-61-44.8-177.7-161.6-164.2170170.9-3.7111.4M237 T266 Q267M237-R263 HydrophobicContact CE-CB 4Å; M237-R263 HydrophobicContact CE-CG 3.5Å; M237-R263 WeakPolarHBondContact CE-O 3.24Å; R263-T266 PolarHBondContact O-OG1 2.93Å; R263-Q267 HydrophobicContact CG-CG 4.49Å; R263-Q267 VanDerWaalsContact NE-OE1 3.12Å; R263-Q267 WeakPolarHBondContact O-CB 3.2Å; R263-Q267 PolarHBondContact O-N 2.9Å
264W97.3Very high82.5Confident0 Ų075.6 Ų75.60%041%0.405CS..Hα-helixtrans-66.3-43.2179-172.574.8000110.7E104 H108 F111 L198 M237 P238 L241 D262 T266 G268E104-W264 HydrophobicContact CG-CZ2 4.16Å; E104-W264 PolarHBondContact OE1-NE1 3.19Å; H108-W264 HydrophobicContact CB-CH2 3.96Å; H108-W264 HydrophobicContact CB-CZ2 3.81Å; H108-W264 AromaticContact CD2-CE2 3.95Å; H108-W264 AromaticContact CD2-CE3 3.98Å; H108-W264 AromaticContact CD2-CH2 3.89Å; H108-W264 AromaticContact CD2-CZ2 3.9Å; H108-W264 AromaticContact CD2-CZ3 3.92Å; H108-W264 PolarHBondContact CD2-O 2.96Å; H108-W264 VanDerWaalsContact CD2-O 3.3Å; H108-W264 PolarHBondContact NE2-O 2.83Å; F111-W264 HydrophobicContact CB-CH2 4.26Å; F111-W264 HydrophobicContact CB-CZ3 4.19Å; F111-W264 AromaticContact CD1-CZ3 3.69Å; F111-W264 HydrophobicContact CD1-CZ3 3.69Å; F111-W264 HydrophobicContact CE1-CZ3 4.36Å; F111-W264 HydrophobicContact CG-CZ3 4.09Å; L198-W264 HydrophobicContact CD1-CH2 3.48Å; L198-W264 VanDerWaalsContact CD1-CH2 3.48Å; L198-W264 HydrophobicContact CD1-CZ2 4.32Å; L198-W264 HydrophobicContact CD1-CZ3 3.94Å; L198-W264 HydrophobicContact CD2-CH2 4.25Å; L198-W264 HydrophobicContact CD2-CZ3 3.89Å; M237-W264 HydrophobicContact CE-CB 4.39Å; M237-W264 HydrophobicContact CG-CB 3.84Å; M237-W264 HydrophobicContact CG-CG 4.25Å; P238-W264 HydrophobicContact CB-CD2 3.98Å; P238-W264 HydrophobicContact CB-CG 4.08Å; P238-W264 HydrophobicContact CB-CZ2 4.2Å; P238-W264 VanDerWaalsContact CD-CD1 3.43Å; L241-W264 HydrophobicContact CD2-CE3 3.6Å; L241-W264 HydrophobicContact CD2-CZ3 4.19Å; D262-W264 PolarHBondContact O-N 2.88Å; D262-W264 WeakPolarHBondContact OD1-CA 3.43Å; D262-W264 VanDerWaalsContact OD1-CB 3.27Å; D262-W264 WeakPolarHBondContact OD1-CB 3.47Å; D262-W264 PolarHBondContact OD1-N 3.25Å; W264-T266 PolarHBondContact O-N 2.97Å; W264-G268 VanDerWaalsContact O-CA 3.3Å; W264-G268 WeakPolarHBondContact O-CA 3.36Å; W264-G268 PolarHBondContact O-N 2.93Å
265F97.1Very high79.5Confident20 Ų2082.4 Ų82.49%0.08844%0.442CS..Hα-helixtrans-61.6-42.6178.8-167-88.9000112.9H108 F111 K112 I115 I259 Q260 D262H108-F265 PolarHBondContact CE1-O 2.64Å; H108-F265 PolarHBondContact NE2-O 2.77Å; F111-F265 AromaticContact CD1-CD2 4Å; F111-F265 HydrophobicContact CD1-CD2 4Å; F111-F265 HydrophobicContact CD1-CE2 4.16Å; F111-F265 HydrophobicContact CE1-CD2 4.08Å; F111-F265 HydrophobicContact CE1-CE2 4.36Å; K112-F265 HydrophobicContact CB-CE2 4.32Å; K112-F265 HydrophobicContact CB-CZ 4.21Å; K112-F265 HydrophobicContact CG-CD2 4.22Å; K112-F265 HydrophobicContact CG-CE1 4.23Å; K112-F265 HydrophobicContact CG-CE2 3.8Å; K112-F265 HydrophobicContact CG-CZ 3.81Å; I115-F265 HydrophobicContact CB-CE2 3.89Å; I115-F265 HydrophobicContact CB-CZ 4.23Å; I115-F265 HydrophobicContact CG1-CE2 3.91Å; I115-F265 HydrophobicContact CG2-CE2 4.09Å; I115-F265 HydrophobicContact CG2-CZ 4.15Å; I259-F265 HydrophobicContact CG2-CD2 3.74Å; I259-F265 HydrophobicContact CG2-CE2 4.1Å; I259-F265 HydrophobicContact CG2-CG 4.29Å; I259-F265 WeakPolarHBondContact O-CB 3.42Å; I259-F265 WeakPolarHBondContact O-CG 3.44Å; Q260-F265 HydrophobicContact CB-CD1 4.49Å; Q260-F265 HydrophobicContact CB-CE1 4.27Å; Q260-F265 HydrophobicContact CG-CE1 3.99Å; Q260-F265 HydrophobicContact CG-CZ 4.28Å; D262-F265 HydrophobicContact CB-CB 4.03Å; D262-F265 PolarHBondContact O-N 2.8Å; D262-F265 PolarHBondContact OD1-N 3.13Å
266T95Very high76.5Confident74 Ų7486.6 Ų86.645%0.45446%0.457SS..Hα-helixtrans-77.7-46.4-177.350.80000113.4Q260 D262 R263 W264Q260-T266 WeakPolarHBondContact O-CG2 3.37Å; D262-T266 WeakPolarHBondContact O-CB 3.35Å; D262-T266 WeakPolarHBondContact O-CG2 3.46Å; D262-T266 PolarHBondContact O-N 2.82Å; D262-T266 PolarHBondContact O-OG1 3.22Å; R263-T266 PolarHBondContact O-OG1 2.93Å; W264-T266 PolarHBondContact O-N 2.97Å
267Q87.9Confident73.3Confident85 Ų8592.4 Ų92.440%0.39749%0.492SS..Hα-helixtrans-91.2-27.7-171.6-61.3172.511.600112.2M237 R263 Q270M237-Q267 HydrophobicContact CE-CB 3.94Å; R263-Q267 HydrophobicContact CG-CG 4.49Å; R263-Q267 VanDerWaalsContact NE-OE1 3.12Å; R263-Q267 WeakPolarHBondContact O-CB 3.2Å; R263-Q267 PolarHBondContact O-N 2.9Å; Q267-Q270 HydrophobicContact CB-CG 4.37Å; Q267-Q270 WeakPolarHBondContact O-CG 3.44Å
268G79.2Confident70.1Confident5 Ų596.9 Ų96.95%0.05251%0.51CS..  trans56.5-153.7-170.800000112.3H108 W264 Q270H108-G268 WeakPolarHBondContact CE1-CA 3.35Å; H108-G268 VanDerWaalsContact NE2-CA 3.27Å; H108-G268 WeakPolarHBondContact NE2-CA 3.5Å; H108-G268 PolarHBondContact NE2-N 3.02Å; W264-G268 VanDerWaalsContact O-CA 3.3Å; W264-G268 WeakPolarHBondContact O-CA 3.36Å; W264-G268 PolarHBondContact O-N 2.93Å; G268-Q270 VanDerWaalsContact C-N 3.29Å; G268-Q270 PolarHBondContact O-N 3.1Å
269C68.4Low66.7Low76 Ų76104.8 Ų104.851%0.51453%0.534SS..SBendtrans-80.473.6173.2-168.90000109.9R271C269-R271 PolarHBondContact O-N 2.87Å
270Q59.9Low63.3Low147 Ų147109.8 Ų109.869%0.68757%0.565SS**  trans-69.6116.6166-64.7-152.3-9.800108.3Q267 G268 S272Q267-Q270 HydrophobicContact CB-CG 4.37Å; Q267-Q270 WeakPolarHBondContact O-CG 3.44Å; G268-Q270 VanDerWaalsContact C-N 3.29Å; G268-Q270 PolarHBondContact O-N 3.1Å; Q270-S272 PolarHBondContact O-N 2.78Å
271R48Very low59.9Low229 Ų229115.4 Ų115.486%0.86459%0.591SS**  trans-52.5114.5164.1-80.4178.6161.9169-5.8107.7C269 G273C269-R271 PolarHBondContact O-N 2.87Å; R271-G273 PolarHBondContact O-N 2.91Å; R271-G273 VanDerWaalsContact O-N 3.07Å
272S43.9Very low56.6Low133 Ų133115.6 Ų115.693%0.9360%0.598SS**SBendtrans-57.4113.7159.3-172.40000107Q270Q270-S272 PolarHBondContact O-N 2.78Å
273G44Very low53.2Low63 Ų63121.9 Ų121.965%0.64963%0.627SS**  trans118.674.4175.800000115.2R271R271-G273 PolarHBondContact O-N 2.91Å; R271-G273 VanDerWaalsContact O-N 3.07Å
274S33.4Very low49.9Very low115 Ų115122.9 Ų122.980%0.80464%0.644SS**  trans-153.3112.3144.8-75.70000107.5K276S274-K276 PolarHBondContact O-N 3.08Å
275N34.5Very low46.5Very low165 Ų165131.3 Ų131.388%0.88268%0.68SS**  trans-50.9121.4179.8-77.7-26.7000110.4V277N275-V277 PolarHBondContact O-N 2.83Å; N275-V277 VanDerWaalsContact O-N 3.1Å
276K35.1Very low43.1Very low189 Ų189136.2 Ų136.282%0.82272%0.717SS**  trans-65.6105.9169.9-68.4-178.8178-179.40108.3S274 L278S274-K276 PolarHBondContact O-N 3.08Å; K276-L278 PolarHBondContact O-N 2.91Å
277V31.8Very low39.7Very low137 Ų137144.2 Ų144.283%0.8374%0.739SS**  trans-80.8104.1153.51790000105.8N275 R279N275-V277 PolarHBondContact O-N 2.83Å; N275-V277 VanDerWaalsContact O-N 3.1Å; V277-R279 PolarHBondContact O-N 2.91Å
278L30Very low36.7Very low138 Ų138146.9 Ų146.972%0.72376%0.761SS**  trans-59.7126.3167.7-92.391.1000108.5K276K276-L278 PolarHBondContact O-N 2.91Å
279R27.2Very low34Very low236 Ų236154.2 Ų154.289%0.89180%0.799SS**  trans-130.7101.3153-134.8175.7175.2164.9-2.4108.3V277V277-R279 PolarHBondContact O-N 2.91Å
280T27Very low32Very low105 Ų105155.7 Ų155.764%0.64481%0.811SS**  trans-67.4131168.2-54.50000108.5
281E26.9Very low30.4Very low187 Ų187155.6 Ų155.687%0.87482%0.815SS**  trans-149.1134.8152.8-120.7164.9-155.400110.4
282L28.9Very low29.3Very low150 Ų150152 Ų15279%0.78581%0.813SS**  trans-80.6159.4-164.2-87.6115.6000113.5
283E26.4Very low28.4Very low145 Ų145155.2 Ų155.268%0.67880%0.804SS**  trans-31.3146.7166.9-57.4-179.5133.900117.2
284L25.9Very low27.4Very low182 Ų182159.3 Ų159.395%0.95381%0.808SS**  trans-146.5120.2136.2-120.5112.3000111.3
285K26.1Very low26.9Very low177 Ų177160.8 Ų160.877%0.7780%0.802SS**  trans-82.8142.6170.1-73.1167.3176.1157.80109.5
286S25.1Very low26.3Very low123 Ų123161.5 Ų161.586%0.8680%0.798SS**  trans-139.9117.615362.70000110.7
287R23.7Very low25.7Very low242 Ų242157.9 Ų157.991%0.91380%0.796SS**  trans-87.1143.3166.1-74174.2164.1-179.6-5.6109.1
288T25.4Very low25.3Very low140 Ų140156.1 Ų156.186%0.85979%0.791SS**  trans-153.7125144.640.80000110.4
289N23.4Very low25.1Very low159 Ų159155.4 Ų155.485%0.8580%0.797SS**  trans-63.2167.2159.8-65.9-26.3000109.3
290S25.6Very low25Very low108 Ų108152 Ų15276%0.75579%0.791SS**  cis-177.2133.444.140.30000106.8
291D25.2Very low25.1Very low145 Ų145152.6 Ų152.678%0.77580%0.797SS**  89.7116.391.1-153.517000114
292D25.6Very low24.8Very low153 Ų153150.3 Ų150.382%0.81879%0.791SS**  trans-168.699148.7-108.9-19.4000114.2
293R25.7Very low24.7Very low201 Ų201152.8 Ų152.876%0.75880%0.795SS**  trans38.1138.5131.4-78.7179.2175.3-170.2-0.5126.5
294M23.4Very low24.7Very low148 Ų148150.2 Ų150.273%0.72980%0.799SS**  trans81.2144.5141.1-78.9-178.7172.300119.5
295Q23Very low24.9Very low146 Ų146148.2 Ų148.268%0.68280%0.797SS**  cis-172.8144.7-24.6-122.8-173.20.100108.1
296F21.8Very low24.9Very low181 Ų181143 Ų14379%0.79479%0.794SS**  trans49.8124158.8-68.3-78.5000123.5
297S21Very low25Very low112 Ų112140 Ų14078%0.78378%0.782SS**  171.4145.991.7-172.60000113
298S23.3Very low25.4Very low101 Ų101135.3 Ų135.371%0.70676%0.764SS**  trans-67.6155.1-176.234.70000116.9
299S25.6Very low25.4Very low123 Ų123135.6 Ų135.686%0.8676%0.756SS**  trans-163.7111.1134.1-70.40000110.5
300Q26.9Very low25.7Very low164 Ų164133.3 Ų133.377%0.76675%0.753SS**  trans-69.9171.8159.1-78.8175.6-34.400110.2
301P27.9Very low25.9Very low117 Ų117134.7 Ų134.776%0.7675%0.748SS**  -126.7147.1113.128.4-16.9000113.5
302D21.9Very low26.1Very low140 Ų140132.4 Ų132.475%0.74974%0.736SS**  trans-58.3140.9175.6-72.9-52000113.2
303F26.2Very low26.3Very low201 Ų201131.8 Ų131.888%0.88273%0.732SS**  trans-107.5120.6158.9-81.2-84.4000109.2
304A26.3Very low26.4Very low91 Ų91131.2 Ų131.275%0.75274%0.735SS**  trans-57.4152.4177.200000112.8G306A304-G306 PolarHBondContact O-N 3.44Å
305P28.8Very low26.6Very low140 Ų140126.3 Ų126.391%0.90972%0.722SS**  trans-80.4107.2-178.431.6-30.3000110.3
306G26.5Very low27.1Very low69 Ų69124.8 Ų124.871%0.71173%0.725SS**  trans-139.7117.3169.700000109.7A304A304-G306 PolarHBondContact O-N 3.44Å
307G27Very low27.6Very low59 Ų59120.9 Ų120.961%0.60872%0.716SS**  trans-58.9129-166.700000115.1E309G307-E309 PolarHBondContact O-N 3.47Å
308W33Very low28Very low144 Ų144124.9 Ų124.955%0.54572%0.723SS.*G310 helixtrans-81.31.5170.652.9-78.6000112.4F157 S310 M311F157-W308 AromaticContact CD1-CH2 3.3Å; F157-W308 HydrophobicContact CD1-CH2 3.3Å; F157-W308 AromaticContact CD1-CZ2 3.51Å; F157-W308 HydrophobicContact CD1-CZ2 3.51Å; F157-W308 HydrophobicContact CD1-CZ3 4.21Å; F157-W308 AromaticContact CE1-CE2 3.94Å; F157-W308 AromaticContact CE1-CH2 3.56Å; F157-W308 HydrophobicContact CE1-CH2 3.56Å; F157-W308 AromaticContact CE1-CZ2 3.23Å; F157-W308 HydrophobicContact CE1-CZ2 3.23Å; F157-W308 HydrophobicContact CE1-CZ3 4.49Å; F157-W308 HydrophobicContact CG-CH2 4.12Å; F157-W308 HydrophobicContact CZ-CZ2 4.18Å; W308-S310 PolarHBondContact O-N 3.26Å; W308-M311 PolarHBondContact O-N 3.29Å
309E25.2Very low28.4Very low146 Ų146121.5 Ų121.568%0.68270%0.704SS**G310 helixtrans-63.9-17.9-178.8-72.5168.6159.400113.1G307 M311G307-E309 PolarHBondContact O-N 3.47Å; E309-M311 PolarHBondContact O-N 2.9Å
310S29Very low29Very low111 Ų111121.5 Ų121.578%0.77669%0.69SS**G310 helixtrans-80.9-3.7176.1-66.40000115.6W308 L312W308-S310 PolarHBondContact O-N 3.26Å; S310-L312 VanDerWaalsContact C-N 3.29Å; S310-L312 PolarHBondContact O-N 3.47Å
311M30.4Very low29.1Very low136 Ų136117.4 Ų117.467%0.6768%0.676SS**G310 helixtrans-84.63.4176.8-92.3-175.416800114.2W308 E309W308-M311 PolarHBondContact O-N 3.29Å; E309-M311 PolarHBondContact O-N 2.9Å
312L29.3Very low29.5Very low98 Ų98112.6 Ų112.651%0.51365%0.645SS.*SBendtrans-950.8-165.6-72.1173.5000116.3S310S310-L312 VanDerWaalsContact C-N 3.29Å; S310-L312 PolarHBondContact O-N 3.47Å
313L30.3Very low30.5Very low140 Ų140106.7 Ų106.773%0.73361%0.613SS**  trans-141122.7-179.7-66.2168.4000108.2
314F28.1Very low31.3Very low189 Ų18997.9 Ų97.983%0.82958%0.576SS**  trans-174.6147137.4-78.5-53.9000110.4
315G27.3Very low31.6Very low44 Ų4493.7 Ų93.745%0.45454%0.541SS..  trans-81.2-157.8-163.100000116.1
316P33.8Very low32.1Very low115 Ų11588 Ų8875%0.74750%0.504SS*.  trans-99.9142.7-15236.3-30.7000113.3
317T32.3Very low32.5Very low98 Ų9885 Ų8560%0.60147%0.472SS*.  trans-150.6145.9144.444.40000111.6
318E29.3Very low33Very low197 Ų19783.3 Ų83.392%0.92145%0.448SS*.  trans-74.9153-177.2-66.3176.6136.700113
319G30.5Very low32.9Very low30 Ų3078 Ų7831%0.30943%0.432SS..  trans159.256.9177.400000111.3Y20Y20-G319 PolarHBondContact OH-O 3.21Å
320Q39Very low33.3Very low122 Ų12274.1 Ų74.157%0.5741%0.414SS*.  trans-86.1112.8-173.4-70.6-179.3-23.400111.9G169G169-Q320 PolarHBondContact O-NE2 2.67Å
321V29.8Very low33.5Very low78 Ų7871.9 Ų71.947%0.47339%0.391SS..  trans-153.7142.1160.1-1480000110.5A19A19-V321 HydrophobicContact CB-CG2 3.81Å
322S35.6Very low33.8Very low16 Ų1668.8 Ų68.811%0.11238%0.376CS..  trans-62.6145.2177.7-119.30000113.5K132 N135K132-S322 WeakPolarHBondContact CE-OG 3.36Å; K132-S322 PolarHBondContact NZ-OG 3Å; N135-S322 PolarHBondContact OD1-OG 3.3Å
323F43.8Very low34Very low16 Ų1667.5 Ų67.57%0.0737%0.369CS..  trans-105.873.2167.8-62.7-85.3000111Y20 V23 K38 D148Y20-F323 HydrophobicContact CD2-CE2 4.01Å; Y20-F323 AromaticContact CD2-CZ 3.75Å; Y20-F323 HydrophobicContact CD2-CZ 3.75Å; Y20-F323 HydrophobicContact CG-CZ 4.25Å; V23-F323 HydrophobicContact CG2-CB 4.28Å; K38-F323 HydrophobicContact CD-CB 4.2Å; K38-F323 HydrophobicContact CD-CD1 4.34Å; K38-F323 HydrophobicContact CD-CG 4.22Å; K38-F323 HydrophobicContact CG-CD1 4.5Å; K38-F323 VanDerWaalsContact NZ-CD2 3.34Å; D148-F323 WeakPolarHBondContact OD1-CD2 3.25Å; D148-F323 WeakPolarHBondContact OD2-CB 3.23Å; D148-F323 WeakPolarHBondContact OD2-CD2 3.44Å; D148-F323 PolarHBondContact OD2-N 3.36Å
324S42Very low34.2Very low16 Ų1668.7 Ų68.711%0.11238%0.375CS..  trans-96.5148.5-179.463.30000112.1G16 E91 E134 P326G16-S324 WeakPolarHBondContact CA-O 3.42Å; E91-S324 WeakPolarHBondContact OE1-CB 3.22Å; E91-S324 PolarHBondContact OE1-OG 2.79Å; E91-S324 PolarHBondContact OE2-OG 3.44Å; E134-S324 WeakPolarHBondContact O-CB 3.4Å; S324-P326 WeakPolarHBondContact O-CD 3.41Å
325Q33.6Very low34.1Very low3 Ų362.6 Ų62.61%0.01437%0.365CS..  trans-93.5106.9178.5-65.417825.500109.9L15 V23 A36 E85 C87 L137L15-Q325 HydrophobicContact CB-CB 4.42Å; L15-Q325 HydrophobicContact CD1-CB 4.2Å; L15-Q325 HydrophobicContact CD1-CG 4.09Å; V23-Q325 HydrophobicContact CG1-CG 4Å; A36-Q325 VanDerWaalsContact CB-CD 3.46Å; A36-Q325 HydrophobicContact CB-CG 4.19Å; E85-Q325 PolarHBondContact O-NE2 2.98Å; C87-Q325 VanDerWaalsContact N-OE1 3.1Å; L137-Q325 HydrophobicContact CD1-CB 3.9Å; L137-Q325 HydrophobicContact CD1-CG 3.83Å; L137-Q325 HydrophobicContact CD2-CB 4.31Å
326P37.6Very low34Very low21 Ų2166.1 Ų66.114%0.13638%0.383CS..PPolyproline II helixtrans-87.6130170.334.8-41.6000111.4L15 S324 R355L15-P326 HydrophobicContact CB-CG 4.37Å; L15-P326 WeakPolarHBondContact CD2-O 3.4Å; L15-P326 WeakPolarHBondContact O-CD 3.44Å; L15-P326 WeakPolarHBondContact O-CG 3.36Å; S324-P326 WeakPolarHBondContact O-CD 3.41Å; P326-R355 VanDerWaalsContact CB-NH2 3.34Å; P326-R355 PolarHBondContact O-NH2 3.33Å
327T36.3Very low33.7Very low5 Ų569.4 Ų69.43%0.03139%0.389CS..PPolyproline II helixtrans-75.6136.6-170.4-25.10000116.2Y86 T88 G90 R355Y86-T327 WeakPolarHBondContact OH-CG2 3.3Å; T88-T327 WeakPolarHBondContact O-CG2 3.46Å; G90-T327 WeakPolarHBondContact CA-OG1 3.4Å; G90-T327 PolarHBondContact N-OG1 2.95Å; T327-R355 VanDerWaalsContact C-NH2 3.29Å; T327-R355 VanDerWaalsContact O-CZ 3.3Å; T327-R355 PolarHBondContact O-NE 3.42Å; T327-R355 PolarHBondContact O-NH2 3.01Å
328K36Very low33.4Very low25 Ų2573 Ų7311%0.10940%0.403CS..PPolyproline II helixtrans-71.6144172.4-99.6-175.8142.5-169.30115.2V12 Q13 L25 E330V12-K328 HydrophobicContact CG1-CD 3.97Å; V12-K328 VanDerWaalsContact CG1-NZ 3.29Å; V12-K328 PolarHBondContact O-NZ 3.02Å; Q13-K328 HydrophobicContact CB-CD 3.49Å; Q13-K328 VanDerWaalsContact CB-CD 3.49Å; Q13-K328 HydrophobicContact CB-CG 4.1Å; Q13-K328 HydrophobicContact CG-CD 3.94Å; Q13-K328 VanDerWaalsContact CG-CE 3.44Å; Q13-K328 HydrophobicContact CG-CG 4.18Å; Q13-K328 VanDerWaalsContact OE1-CD 3.26Å; L25-K328 HydrophobicContact CD2-CD 4.41Å; K328-E330 VanDerWaalsContact C-N 3.31Å; K328-E330 HydrophobicContact CB-CG 4.36Å; K328-E330 HydrophobicContact CD-CG 4.49Å; K328-E330 WeakPolarHBondContact CD-OE1 3.36Å; K328-E330 WeakPolarHBondContact CE-OE1 3.29Å; K328-E330 IonicContact NZ-OE1 2.69Å; K328-E330 PolarHBondContact NZ-OE1 2.97Å; K328-E330 PolarHBondContact O-N 3.12Å
329P31.8Very low33.6Very low32 Ų3272.4 Ų72.421%0.20841%0.405CS..G310 helixtrans-42-44.6167.3-37.642.1000117.2L352P329-L352 HydrophobicContact CB-CD2 3.4Å; P329-L352 VanDerWaalsContact CB-CD2 3.4Å; P329-L352 HydrophobicContact CB-CG 4.44Å; P329-L352 HydrophobicContact CG-CD2 3.62Å
330E32.7Very low33.4Very low64 Ų6474.1 Ų74.130%0.29942%0.423SS..G310 helixtrans-79.5-15.2-167.855.9-107.9-143.300114.7K328 M332 L333K328-E330 VanDerWaalsContact C-N 3.31Å; K328-E330 HydrophobicContact CB-CG 4.36Å; K328-E330 HydrophobicContact CD-CG 4.49Å; K328-E330 WeakPolarHBondContact CD-OE1 3.36Å; K328-E330 WeakPolarHBondContact CE-OE1 3.29Å; K328-E330 IonicContact NZ-OE1 2.69Å; K328-E330 PolarHBondContact NZ-OE1 2.97Å; K328-E330 PolarHBondContact O-N 3.12Å; E330-M332 PolarHBondContact O-N 3.06Å; E330-L333 WeakPolarHBondContact O-CG 3.49Å
331H33.8Very low32.9Very low64 Ų6474.8 Ų74.830%0.29644%0.435SS..G310 helixtrans-94.616.5-175.4-67.7-71.6000114.9L333H331-L333 PolarHBondContact O-N 3.15Å
332M37.8Very low32.8Very low72 Ų7277.6 Ų77.636%0.35546%0.455SS..G310 helixtrans-85.415.5164.2-98.8-157.6-34.100113.6E330 L334 R351 L352 V353E330-M332 PolarHBondContact O-N 3.06Å; M332-L334 VanDerWaalsContact C-N 3.31Å; M332-L334 PolarHBondContact O-N 2.82Å; M332-R351 WeakPolarHBondContact CE-O 3.41Å; M332-R351 PolarHBondContact O-NE 2.89Å; M332-R351 PolarHBondContact O-NH2 3.15Å; M332-L352 WeakPolarHBondContact CE-O 3.49Å; M332-V353 HydrophobicContact CB-CG2 4.36Å; M332-V353 HydrophobicContact CE-CB 3.95Å; M332-V353 HydrophobicContact CE-CG2 3.57Å; M332-V353 HydrophobicContact CG-CG2 3.42Å; M332-V353 VanDerWaalsContact CG-CG2 3.42Å; M332-V353 HydrophobicContact SD-CB 4.02Å; M332-V353 HydrophobicContact SD-CG1 4.44Å; M332-V353 HydrophobicContact SD-CG2 3.35Å; M332-V353 WeakPolarHBondContact SD-CG2 3.14Å
333L32.9Very low32.6Very low71 Ų7180.8 Ų80.837%0.37249%0.49SS..  trans-74.7-8.2-174.2-79176.8000116E330 H331 L348 R351E330-L333 WeakPolarHBondContact O-CG 3.49Å; H331-L333 PolarHBondContact O-N 3.15Å; L333-L348 HydrophobicContact CD1-CD2 3.65Å; L333-L348 HydrophobicContact CD1-CG 4.23Å; L333-R351 PolarHBondContact O-NH1 2.72Å; L333-R351 PolarHBondContact O-NH2 3.5Å; L333-R351 VanDerWaalsContact O-NH2 3.1Å
334L33.5Very low31.8Very low165 Ų16582.9 Ų82.986%0.86451%0.511SS*.  trans-128.5102.1174.9-70.3167.7000111.6M332M332-L334 VanDerWaalsContact C-N 3.31Å; M332-L334 PolarHBondContact O-N 2.82Å
335G25.6Very low31.5Very low60 Ų6087.2 Ų87.262%0.61954%0.541SS*.  trans-156.8100.7172.100000109.3
336S27Very low31.3Very low119 Ų11994.1 Ų94.183%0.83257%0.573SS**  trans31.3120.8165.3-161.90000120.5
337Q26.9Very low31Very low184 Ų18495.9 Ų95.986%0.8659%0.586SS**  trans-32.5130.9155.4-66.7167-22.100114.4
338L26.3Very low30.8Very low173 Ų173101 Ų10191%0.90661%0.613SS**  trans-135.4133.4135.1-87.9171.1000107.5
339L33Very low30.8Very low185 Ų185106.6 Ų106.697%0.96963%0.633SS**  trans-50.9129-171.7-75.8123.3000114
340G26.8Very low31Very low65 Ų65108.3 Ų108.367%0.6764%0.638SS**  trans-175.296167.200000112.3
341T27.2Very low31.3Very low136 Ų136110 Ų11083%0.83464%0.642SS**  trans44.4121.2162.741.40000120.2G343T341-G343 PolarHBondContact O-N 2.91Å
342P28.8Very low31.4Very low138 Ų138109 Ų10990%0.89664%0.639SS**SBendtrans-77.5123.6175.831.9-29.8000110.4
343G31.1Very low31.4Very low82 Ų82107 Ų10785%0.84563%0.63SS**  trans150.6-5165.700000119.3T341T341-G343 PolarHBondContact O-N 2.91Å
344A28.2Very low31.7Very low60 Ų60115.1 Ų115.150%0.49666%0.656SS.*  trans-112.6113.3177.500000111.1Q346 I454A344-Q346 PolarHBondContact O-N 3.17Å; A344-I454 HydrophobicContact CB-CG2 4.24Å
345S34Very low32.5Very low107 Ų107108.5 Ų108.575%0.74862%0.62SS**  trans-63.793.617049.70000110
346Q30.9Very low34Very low149 Ų149108.7 Ų108.770%0.69661%0.605SS**  trans-71.2129.8166.9-71.1-159-6.400109.4A344 Q350A344-Q346 PolarHBondContact O-N 3.17Å; Q346-Q350 VanDerWaalsContact CB-OE1 3.32Å
347S31.4Very low36.1Very low57 Ų57103.4 Ų103.440%0.39957%0.568SS.*  trans-72.7145.7-175.559.70000111.9W349 Q350S347-W349 PolarHBondContact O-N 2.87Å; S347-Q350 PolarHBondContact O-N 3.19Å
348L32.2Very low38.7Very low113 Ų11395.9 Ų95.959%0.59253%0.531SS*.THydrogen-bonded Turntrans-44.4-21.7176.1-92.5120.3000114.7L333L333-L348 HydrophobicContact CD1-CD2 3.65Å; L333-L348 HydrophobicContact CD1-CG 4.23Å
349W35.3Very low41.4Very low143 Ų14388.1 Ų88.154%0.54249%0.491SS..THydrogen-bonded Turntrans-89.1-16-172.8-54.3109.9000114.5S347 R351 M412S347-W349 PolarHBondContact O-N 2.87Å; W349-R351 PolarHBondContact O-N 3.37Å; W349-M412 HydrophobicContact CD2-CE 4.21Å; W349-M412 HydrophobicContact CE3-CE 3.33Å; W349-M412 HydrophobicContact CH2-CE 4.26Å; W349-M412 HydrophobicContact CZ3-CE 3.36Å
350Q35.7Very low43.8Very low68 Ų6881.2 Ų81.232%0.31845%0.453SS..SBendtrans-76.2-2.3-177.1-72.5177.3-32.100114Q346 S347Q346-Q350 VanDerWaalsContact CB-OE1 3.32Å; S347-Q350 PolarHBondContact O-N 3.19Å
351R38.2Very low46.6Very low99 Ų9978.2 Ų78.237%0.37442%0.421SS..  trans-126.948.8-171.3-66.6171.463.6174.80.3113.6M332 L333 W349M332-R351 WeakPolarHBondContact CE-O 3.41Å; M332-R351 PolarHBondContact O-NE 2.89Å; M332-R351 PolarHBondContact O-NH2 3.15Å; L333-R351 PolarHBondContact O-NH1 2.72Å; L333-R351 PolarHBondContact O-NH2 3.5Å; L333-R351 VanDerWaalsContact O-NH2 3.1Å; W349-R351 PolarHBondContact O-N 3.37Å
352L36.9Very low49.4Very low44 Ų4476 Ų7623%0.2340%0.404CS..  trans-73.2132.8172.3-84.2152.6000112.4P329 M332 F360P329-L352 HydrophobicContact CB-CD2 3.4Å; P329-L352 VanDerWaalsContact CB-CD2 3.4Å; P329-L352 HydrophobicContact CB-CG 4.44Å; P329-L352 HydrophobicContact CG-CD2 3.62Å; M332-L352 WeakPolarHBondContact CE-O 3.49Å; L352-F360 HydrophobicContact CD1-CE2 3.68Å; L352-F360 HydrophobicContact CD1-CZ 3.47Å; L352-F360 VanDerWaalsContact CD1-CZ 3.47Å
353V38.5Very low52.2Low29 Ų2971.5 Ų71.518%0.17637%0.374CS..  trans-59.2142.3175.7-1790000109M332 R355 R358M332-V353 HydrophobicContact CB-CG2 4.36Å; M332-V353 HydrophobicContact CE-CB 3.95Å; M332-V353 HydrophobicContact CE-CG2 3.57Å; M332-V353 HydrophobicContact CG-CG2 3.42Å; M332-V353 VanDerWaalsContact CG-CG2 3.42Å; M332-V353 HydrophobicContact SD-CB 4.02Å; M332-V353 HydrophobicContact SD-CG1 4.44Å; M332-V353 HydrophobicContact SD-CG2 3.35Å; M332-V353 WeakPolarHBondContact SD-CG2 3.14Å; V353-R355 PolarHBondContact O-N 3.15Å; V353-R358 PolarHBondContact O-NH2 2.79Å
354R38.7Very low54.9Low241 Ų24172.4 Ų72.491%0.90936%0.36SS*.  trans-69.776.8167.1-74.3173.693.7-172.85.1109.6M356R354-M356 PolarHBondContact O-N 3.24Å
355R49.9Very low57.6Low27 Ų2770.2 Ų70.210%0.10234%0.342CS..  trans-70123.6156.4-73.3-168.5-175.7-176.5-3.3106.9P326 T327 V353 T357 R358P326-R355 VanDerWaalsContact CB-NH2 3.34Å; P326-R355 PolarHBondContact O-NH2 3.33Å; T327-R355 VanDerWaalsContact C-NH2 3.29Å; T327-R355 VanDerWaalsContact O-CZ 3.3Å; T327-R355 PolarHBondContact O-NE 3.42Å; T327-R355 PolarHBondContact O-NH2 3.01Å; V353-R355 PolarHBondContact O-N 3.15Å; R355-T357 PolarHBondContact O-N 3.38Å; R355-T357 VanDerWaalsContact O-N 3.14Å; R355-R358 HydrophobicContact CB-CG 4.13Å
356M56.4Low60.1Low63 Ų6371.1 Ų71.131%0.3134%0.338SS..THydrogen-bonded Turntrans-69.7-8.9-174.6-65.3-17071.200112.9E97 R354 F434E97-M356 HydrophobicContact CB-CE 3.96Å; E97-M356 HydrophobicContact CB-SD 4.4Å; E97-M356 HydrophobicContact CG-CE 3.75Å; R354-M356 PolarHBondContact O-N 3.24Å; M356-F434 WeakPolarHBondContact O-CD1 3.27Å; M356-F434 WeakPolarHBondContact O-CE1 3.29Å; M356-F434 WeakPolarHBondContact O-CZ 3.46Å
357T72.4Confident62.9Low9 Ų966 Ų666%0.05532%0.321CS..THydrogen-bonded Turntrans-111.929.7-174.760.20000114.6R355 F420 F430 K431 F434R355-T357 PolarHBondContact O-N 3.38Å; R355-T357 VanDerWaalsContact O-N 3.14Å; T357-F420 WeakPolarHBondContact O-CB 3.41Å; T357-F420 PolarHBondContact O-N 2.91Å; T357-F420 VanDerWaalsContact O-N 3.1Å; T357-F420 PolarHBondContact OG1-O 3.39Å; T357-F430 HydrophobicContact CG2-CD1 4.49Å; T357-F430 HydrophobicContact CG2-CE1 3.72Å; T357-F430 HydrophobicContact CG2-CZ 4.16Å; T357-K431 HydrophobicContact CG2-CG 3.85Å; T357-F434 VanDerWaalsContact CA-CE2 3.48Å; T357-F434 VanDerWaalsContact CA-CZ 3.41Å; T357-F434 HydrophobicContact CG2-CB 4.5Å; T357-F434 HydrophobicContact CG2-CD1 4.31Å; T357-F434 HydrophobicContact CG2-CG 4.19Å; T357-F434 WeakPolarHBondContact O-CE2 3.44Å
358R81.8Confident65.6Low25 Ų2563.3 Ų63.39%0.09430%0.302CS..EExtended strand (participates in β ladder)trans-139.9157.5172.867-177.5175-166.7-0.1112.9V353 R355 L417 L418 F434V353-R358 PolarHBondContact O-NH2 2.79Å; R355-R358 HydrophobicContact CB-CG 4.13Å; R358-L417 HydrophobicContact CB-CD1 4.25Å; R358-L417 HydrophobicContact CG-CD1 4.38Å; R358-L418 VanDerWaalsContact CA-O 3.25Å; R358-L418 WeakPolarHBondContact CA-O 3.49Å; R358-L418 WeakPolarHBondContact CB-O 3.18Å; R358-F434 VanDerWaalsContact N-CZ 3.33Å
359F81.7Confident68.4Low11 Ų1159.2 Ų59.25%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-157.5156.6171.858.6-89.9000111.4T361 L418 F420 F434 K438 L441 V445F359-T361 HydrophobicContact CD2-CG2 4.42Å; F359-T361 HydrophobicContact CE2-CG2 4.12Å; F359-L418 HydrophobicContact CE2-CB 4.39Å; F359-L418 HydrophobicContact CE2-CD1 3.74Å; F359-L418 HydrophobicContact CE2-CG 4.37Å; F359-L418 HydrophobicContact CZ-CB 4.28Å; F359-L418 HydrophobicContact CZ-CD1 3.72Å; F359-L418 PolarHBondContact N-O 3.42Å; F359-L418 PolarHBondContact O-N 2.85Å; F359-F420 HydrophobicContact CD1-CE2 4.42Å; F359-F420 HydrophobicContact CE1-CD2 4.43Å; F359-F420 AromaticContact CE1-CE2 3.57Å; F359-F420 HydrophobicContact CE1-CE2 3.57Å; F359-F420 HydrophobicContact CE1-CZ 4.08Å; F359-F420 HydrophobicContact CZ-CE2 4.04Å; F359-F420 HydrophobicContact CZ-CZ 4.36Å; F359-F434 AromaticContact CD1-CE2 3.69Å; F359-F434 HydrophobicContact CD1-CE2 3.69Å; F359-F434 AromaticContact CD1-CZ 3.7Å; F359-F434 HydrophobicContact CD1-CZ 3.7Å; F359-F434 AromaticContact CE1-CE2 3.82Å; F359-F434 HydrophobicContact CE1-CE2 3.82Å; F359-F434 HydrophobicContact CE1-CZ 4.22Å; F359-K438 HydrophobicContact CB-CD 4.32Å; F359-K438 HydrophobicContact CD1-CB 4.12Å; F359-K438 HydrophobicContact CD1-CD 3.92Å; F359-K438 HydrophobicContact CD1-CG 3.81Å; F359-K438 HydrophobicContact CE1-CB 4.01Å; F359-K438 HydrophobicContact CE1-CG 4.13Å; F359-K438 HydrophobicContact CG-CD 4.32Å; F359-K438 HydrophobicContact CG-CG 4.21Å; F359-L441 HydrophobicContact CE2-CD1 4.18Å; F359-L441 HydrophobicContact CZ-CD1 3.59Å; F359-V445 HydrophobicContact CD2-CB 4.4Å; F359-V445 HydrophobicContact CD2-CG1 4.39Å; F359-V445 HydrophobicContact CD2-CG2 3.55Å; F359-V445 HydrophobicContact CE2-CG2 3.62Å; F359-V445 HydrophobicContact CG-CG2 4.23Å; F359-V445 HydrophobicContact CZ-CG2 4.37Å
360F84.2Confident71Confident40 Ų4055.5 Ų55.518%0.17528%0.277CS..EExtended strand (participates in β ladder)trans-87.1143.9173.1-73.5-79.2000110.6L352 M412 R415 V416 L417 C446L352-F360 HydrophobicContact CD1-CE2 3.68Å; L352-F360 HydrophobicContact CD1-CZ 3.47Å; L352-F360 VanDerWaalsContact CD1-CZ 3.47Å; F360-M412 HydrophobicContact CE1-SD 3.99Å; F360-M412 HydrophobicContact CZ-SD 4.37Å; F360-R415 HydrophobicContact CD1-CB 4.23Å; F360-V416 CarbonylContact C-O 3.17Å; F360-V416 WeakPolarHBondContact CA-O 3.27Å; F360-L417 HydrophobicContact CD1-CB 3.99Å; F360-L417 HydrophobicContact CD1-CD1 4.03Å; F360-L417 HydrophobicContact CD2-CD1 4.12Å; F360-L417 HydrophobicContact CE1-CB 3.78Å; F360-L417 HydrophobicContact CE1-CD1 3.9Å; F360-L417 HydrophobicContact CE1-CG 4.34Å; F360-L417 HydrophobicContact CE2-CD1 3.98Å; F360-L417 HydrophobicContact CG-CD1 4.14Å; F360-L417 HydrophobicContact CZ-CB 4.46Å; F360-L417 HydrophobicContact CZ-CD1 3.87Å; F360-C446 HydrophobicContact CB-CB 4.11Å; F360-C446 PolarHBondContact O-N 3.15Å
361T85.6Confident73.7Confident1 Ų153.1 Ų53.11%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-97.7156167.366.30000110.8F359 V363 S368 V416 L418 V444F359-T361 HydrophobicContact CD2-CG2 4.42Å; F359-T361 HydrophobicContact CE2-CG2 4.12Å; T361-V363 PolarHBondContact OG1-O 3.47Å; T361-S368 WeakPolarHBondContact CB-OG 3.26Å; T361-S368 PolarHBondContact OG1-OG 2.95Å; T361-V416 PolarHBondContact N-O 2.87Å; T361-V416 WeakPolarHBondContact OG1-CB 3.16Å; T361-V416 PolarHBondContact OG1-O 3.32Å; T361-L418 HydrophobicContact CG2-CD1 3.89Å; T361-L418 HydrophobicContact CG2-CG 3.99Å; T361-V444 CarbonylContact C-O 3.46Å; T361-V444 WeakPolarHBondContact CA-O 3.39Å; T361-V444 HydrophobicContact CG2-CG1 3.85Å
362N86.2Confident76.3Confident90 Ų9048.4 Ų48.448%0.48125%0.251SS..SBendtrans-93.71.5172.961.4-2.4000113.1D443 V444N362-D443 PolarHBondContact ND2-O 2.93Å; N362-V444 PolarHBondContact N-O 2.9Å; N362-V444 WeakPolarHBondContact OD1-CA 3.45Å; N362-V444 PolarHBondContact OD1-O 3.29Å
363V86Confident79Confident44 Ų4450.9 Ų50.927%0.26726%0.26SS..SBendtrans-117.1170.6-178.9-56.90000111.6T361 A367 S368 V444T361-V363 PolarHBondContact OG1-O 3.47Å; V363-A367 HydrophobicContact CB-CB 3.81Å; V363-A367 HydrophobicContact CG2-CB 3.64Å; V363-S368 VanDerWaalsContact CG2-OG 3.26Å; V363-S368 WeakPolarHBondContact CG2-OG 3.31Å; V363-V444 HydrophobicContact CB-CG1 4.48Å; V363-V444 HydrophobicContact CG1-CG1 4.33Å; V363-V444 HydrophobicContact CG2-CG1 3.43Å; V363-V444 VanDerWaalsContact CG2-CG1 3.43Å
364N87.8Confident81.6Confident100 Ų10054.2 Ų54.254%0.53528%0.277SS..  trans-69.8175.117767.717.3000112.6D366 A367 S368N364-D366 PolarHBondContact O-N 2.74Å; N364-A367 WeakPolarHBondContact OD1-CB 3.31Å; N364-A367 PolarHBondContact OD1-N 2.86Å; N364-S368 VanDerWaalsContact O-CB 3.31Å; N364-S368 WeakPolarHBondContact O-CB 3.08Å; N364-S368 PolarHBondContact O-N 3.44Å; N364-S368 PolarHBondContact O-OG 3.02Å
365A85.3Confident84.2Confident14 Ų1443.7 Ų43.712%0.11624%0.239CC..Hα-helixtrans-62.7-43.7-174.900000112.6S368 L369 E411 V416A365-S368 WeakPolarHBondContact O-CB 3.31Å; A365-S368 PolarHBondContact O-N 3.48Å; A365-L369 VanDerWaalsContact O-CB 3.31Å; A365-L369 WeakPolarHBondContact O-CB 3.34Å; A365-L369 PolarHBondContact O-N 2.94Å; A365-E411 HydrophobicContact CB-CG 4.21Å; A365-E411 VanDerWaalsContact CB-OE1 3.24Å; A365-E411 WeakPolarHBondContact CB-OE1 3.5Å; A365-V416 HydrophobicContact CB-CG2 4.17Å
366D87.7Confident86.2Confident127 Ų12742.4 Ų42.468%0.67923%0.234SC*.Hα-helixtrans-64.2-45.1-179.4-63.8-39.1000112.3N364 L369 S370N364-D366 PolarHBondContact O-N 2.74Å; D366-L369 PolarHBondContact O-N 3.38Å; D366-S370 PolarHBondContact O-N 3.43Å
367A88.5Confident87.9Confident40 Ų4043.7 Ų43.733%0.33124%0.242SC..Hα-helixtrans-67.4-37.3176.400000111.8V363 N364 L369 S370 A371V363-A367 HydrophobicContact CB-CB 3.81Å; V363-A367 HydrophobicContact CG2-CB 3.64Å; N364-A367 WeakPolarHBondContact OD1-CB 3.31Å; N364-A367 PolarHBondContact OD1-N 2.86Å; A367-L369 VanDerWaalsContact C-N 3.31Å; A367-L369 PolarHBondContact O-N 3.35Å; A367-S370 PolarHBondContact O-N 3.31Å; A367-A371 WeakPolarHBondContact O-CB 3.24Å; A367-A371 PolarHBondContact O-N 3.41Å
368S89.3Confident88.8Confident1 Ų146.2 Ų46.21%0.00727%0.27CS..Hα-helixtrans-63-40.9174.9-59.80000111T361 V363 N364 A365 L372T361-S368 WeakPolarHBondContact CB-OG 3.26Å; T361-S368 PolarHBondContact OG1-OG 2.95Å; V363-S368 VanDerWaalsContact CG2-OG 3.26Å; V363-S368 WeakPolarHBondContact CG2-OG 3.31Å; N364-S368 VanDerWaalsContact O-CB 3.31Å; N364-S368 WeakPolarHBondContact O-CB 3.08Å; N364-S368 PolarHBondContact O-N 3.44Å; N364-S368 PolarHBondContact O-OG 3.02Å; A365-S368 WeakPolarHBondContact O-CB 3.31Å; A365-S368 PolarHBondContact O-N 3.48Å; S368-L372 VanDerWaalsContact O-CB 3.31Å; S368-L372 WeakPolarHBondContact O-CB 3.28Å; S368-L372 PolarHBondContact O-N 3.29Å
369L89.9Confident89.3Confident28 Ų2847.1 Ų47.115%0.14728%0.276CS..Hα-helixtrans-68.3-43.4178.4-171.969.7000111.7A365 D366 A367 L372 K373 F383 L385 V391 L409A365-L369 VanDerWaalsContact O-CB 3.31Å; A365-L369 WeakPolarHBondContact O-CB 3.34Å; A365-L369 PolarHBondContact O-N 2.94Å; D366-L369 PolarHBondContact O-N 3.38Å; A367-L369 VanDerWaalsContact C-N 3.31Å; A367-L369 PolarHBondContact O-N 3.35Å; L369-L372 PolarHBondContact O-N 3.43Å; L369-K373 WeakPolarHBondContact O-CB 3.44Å; L369-K373 PolarHBondContact O-N 3.28Å; L369-F383 HydrophobicContact CD1-CZ 3.87Å; L369-F383 HydrophobicContact CG-CZ 4.45Å; L369-L385 HydrophobicContact CD1-CD1 3.97Å; L369-L385 HydrophobicContact CD2-CD1 3.89Å; L369-L385 HydrophobicContact CD2-CD2 4.33Å; L369-V391 HydrophobicContact CD1-CG2 3.34Å; L369-L409 HydrophobicContact CB-CD2 4.13Å; L369-L409 HydrophobicContact CD1-CD1 4.15Å; L369-L409 HydrophobicContact CD1-CD2 4.15Å
370S91Very high89.7Confident65 Ų6550.7 Ų50.746%0.45531%0.308SS..Hα-helixtrans-61.2-50.1176.5-1670000111D366 A367 L372 K373 D374D366-S370 PolarHBondContact O-N 3.43Å; A367-S370 PolarHBondContact O-N 3.31Å; S370-L372 VanDerWaalsContact C-N 3.32Å; S370-L372 PolarHBondContact O-N 2.94Å; S370-K373 WeakPolarHBondContact O-CB 3.49Å; S370-K373 PolarHBondContact O-N 2.86Å; S370-K373 VanDerWaalsContact O-N 3.12Å; S370-D374 VanDerWaalsContact O-CG 3.26Å; S370-D374 PolarHBondContact O-N 3.28Å
371A91.9Very high90.1Very high17 Ų1749.3 Ų49.314%0.1430%0.302CS..Hα-helixtrans-60.7-41.9178.400000111.9A367 K373 D374 V375 L441 V444A367-A371 WeakPolarHBondContact O-CB 3.24Å; A367-A371 PolarHBondContact O-N 3.41Å; A371-K373 VanDerWaalsContact C-N 3.33Å; A371-K373 PolarHBondContact O-N 3.07Å; A371-D374 PolarHBondContact O-N 3.28Å; A371-V375 WeakPolarHBondContact O-CG2 3.46Å; A371-V375 PolarHBondContact O-N 3.22Å; A371-L441 HydrophobicContact CB-CD2 3.77Å; A371-L441 WeakPolarHBondContact O-CD2 3.38Å; A371-V444 HydrophobicContact CB-CG2 3.84Å
372L92.7Very high90.4Very high0 Ų053.4 Ų53.40%033%0.327CS..Hα-helixtrans-61.3-42.5175.6-179.764.4000111.6S368 L369 S370 V375 C376 F383 V407 F420 I437 L441S368-L372 VanDerWaalsContact O-CB 3.31Å; S368-L372 WeakPolarHBondContact O-CB 3.28Å; S368-L372 PolarHBondContact O-N 3.29Å; L369-L372 PolarHBondContact O-N 3.43Å; S370-L372 VanDerWaalsContact C-N 3.32Å; S370-L372 PolarHBondContact O-N 2.94Å; L372-V375 PolarHBondContact O-N 3.33Å; L372-C376 WeakPolarHBondContact O-CB 3.45Å; L372-C376 PolarHBondContact O-N 2.85Å; L372-C376 PolarHBondContact O-SG 3.48Å; L372-C376 VanDerWaalsContact O-SG 3.34Å; L372-F383 HydrophobicContact CD2-CE2 4.22Å; L372-F383 HydrophobicContact CG-CE2 4.12Å; L372-V407 HydrophobicContact CD2-CB 4.17Å; L372-V407 HydrophobicContact CD2-CG1 3.93Å; L372-V407 HydrophobicContact CD2-CG2 4.24Å; L372-F420 HydrophobicContact CD1-CE1 4.33Å; L372-F420 HydrophobicContact CD1-CZ 3.88Å; L372-I437 HydrophobicContact CD1-CG2 3.86Å; L372-L441 HydrophobicContact CD1-CD1 3.93Å
373K93.1Very high90.8Very high97 Ų9751 Ų5142%0.42231%0.312SS..Hα-helixtrans-62.4-48176.8-175-174.2172.6-163.10111.2L369 S370 A371 V375 C376 D377 F383L369-K373 WeakPolarHBondContact O-CB 3.44Å; L369-K373 PolarHBondContact O-N 3.28Å; S370-K373 WeakPolarHBondContact O-CB 3.49Å; S370-K373 PolarHBondContact O-N 2.86Å; S370-K373 VanDerWaalsContact O-N 3.12Å; A371-K373 VanDerWaalsContact C-N 3.33Å; A371-K373 PolarHBondContact O-N 3.07Å; K373-V375 VanDerWaalsContact C-N 3.29Å; K373-V375 PolarHBondContact O-N 2.91Å; K373-C376 WeakPolarHBondContact O-CB 3.35Å; K373-C376 PolarHBondContact O-N 2.81Å; K373-C376 VanDerWaalsContact O-N 3.09Å; K373-D377 PolarHBondContact O-N 3.24Å; K373-F383 HydrophobicContact CB-CD2 4.31Å; K373-F383 HydrophobicContact CB-CE1 4.28Å; K373-F383 HydrophobicContact CB-CE2 3.99Å; K373-F383 HydrophobicContact CB-CZ 3.99Å; K373-F383 HydrophobicContact CD-CE1 4.46Å; K373-F383 HydrophobicContact CG-CD1 4.09Å; K373-F383 HydrophobicContact CG-CD2 4.45Å; K373-F383 HydrophobicContact CG-CE1 4.2Å; K373-F383 HydrophobicContact CG-CG 4.23Å; K373-F383 HydrophobicContact CG-CZ 4.4Å
374D92.8Very high91.1Very high99 Ų9955.7 Ų55.753%0.52933%0.329SS..Hα-helixtrans-60.4-40.1179.8-64.3-26000111.6S370 A371 G378S370-D374 VanDerWaalsContact O-CG 3.26Å; S370-D374 PolarHBondContact O-N 3.28Å; A371-D374 PolarHBondContact O-N 3.28Å; D374-G378 PolarHBondContact O-N 2.9Å
375V93.9Very high91.1Very high20 Ų2055 Ų5512%0.12133%0.325CS..Hα-helixtrans-66.4-42.1174.2168.10000111.7A371 L372 K373 G378 M379 I437 K440 L441A371-V375 WeakPolarHBondContact O-CG2 3.46Å; A371-V375 PolarHBondContact O-N 3.22Å; L372-V375 PolarHBondContact O-N 3.33Å; K373-V375 VanDerWaalsContact C-N 3.29Å; K373-V375 PolarHBondContact O-N 2.91Å; V375-G378 PolarHBondContact O-N 3.34Å; V375-M379 HydrophobicContact CG1-SD 3.9Å; V375-M379 WeakPolarHBondContact O-CB 3.2Å; V375-M379 VanDerWaalsContact O-CG 3.23Å; V375-M379 WeakPolarHBondContact O-CG 3.19Å; V375-M379 PolarHBondContact O-N 2.79Å; V375-M379 VanDerWaalsContact O-N 3.08Å; V375-I437 HydrophobicContact CG1-CG1 4.49Å; V375-I437 HydrophobicContact CG1-CG2 4.23Å; V375-K440 HydrophobicContact CG1-CB 3.71Å; V375-K440 HydrophobicContact CG1-CD 4.06Å; V375-K440 HydrophobicContact CG2-CB 3.98Å; V375-L441 HydrophobicContact CB-CD2 4.23Å; V375-L441 HydrophobicContact CB-CG 4.38Å; V375-L441 HydrophobicContact CG2-CD2 3.57Å; V375-L441 HydrophobicContact CG2-CG 3.89Å
376C92.9Very high90.7Very high0 Ų058 Ų580%034%0.342CS..Hα-helixtrans-62-47.2175.8-77.50000111.8L372 K373 G378 M379 A380 L381 F383L372-C376 WeakPolarHBondContact O-CB 3.45Å; L372-C376 PolarHBondContact O-N 2.85Å; L372-C376 PolarHBondContact O-SG 3.48Å; L372-C376 VanDerWaalsContact O-SG 3.34Å; K373-C376 WeakPolarHBondContact O-CB 3.35Å; K373-C376 PolarHBondContact O-N 2.81Å; K373-C376 VanDerWaalsContact O-N 3.09Å; C376-G378 PolarHBondContact O-N 2.69Å; C376-M379 CarbonylContact O-C 3.47Å; C376-M379 PolarHBondContact O-N 2.69Å; C376-M379 VanDerWaalsContact O-N 3.1Å; C376-A380 PolarHBondContact O-N 2.97Å; C376-A380 VanDerWaalsContact O-N 3.15Å; C376-L381 HydrophobicContact CB-CB 4.08Å; C376-L381 HydrophobicContact CB-CD1 4.49Å; C376-L381 PolarHBondContact O-N 3.49Å; C376-F383 HydrophobicContact CB-CB 4.17Å; C376-F383 HydrophobicContact CB-CD2 4Å
377D92.1Very high90.1Very high89 Ų8954.9 Ų54.948%0.47633%0.33SS..Hα-helixtrans-61.9-45.2178.6-71-16.3000110.6K373 M379 A380K373-D377 PolarHBondContact O-N 3.24Å; D377-M379 PolarHBondContact O-N 2.88Å; D377-A380 PolarHBondContact O-N 2.85Å
378G91.1Very high89.3Confident63 Ų6358.7 Ų58.765%0.64935%0.349SS*.Hα-helixtrans-66.5-15.2175.800000114.9D374 V375 C376D374-G378 PolarHBondContact O-N 2.9Å; V375-G378 PolarHBondContact O-N 3.34Å; C376-G378 PolarHBondContact O-N 2.69Å
379M91.7Very high88.7Confident43 Ų4363.5 Ų63.521%0.21237%0.371CS..THydrogen-bonded Turntrans-101.95.5173.5-70-179.673.500112.8V375 C376 D377 L381 L433 K436 I437 K440V375-M379 HydrophobicContact CG1-SD 3.9Å; V375-M379 WeakPolarHBondContact O-CB 3.2Å; V375-M379 VanDerWaalsContact O-CG 3.23Å; V375-M379 WeakPolarHBondContact O-CG 3.19Å; V375-M379 PolarHBondContact O-N 2.79Å; V375-M379 VanDerWaalsContact O-N 3.08Å; C376-M379 CarbonylContact O-C 3.47Å; C376-M379 PolarHBondContact O-N 2.69Å; C376-M379 VanDerWaalsContact O-N 3.1Å; D377-M379 PolarHBondContact O-N 2.88Å; M379-L381 HydrophobicContact CB-CD1 3.99Å; M379-L381 HydrophobicContact CB-CD2 4.46Å; M379-L381 HydrophobicContact CB-CG 3.73Å; M379-L381 HydrophobicContact CE-CD1 4.44Å; M379-L381 PolarHBondContact O-N 3.28Å; M379-L381 HydrophobicContact SD-CD1 4.27Å; M379-L433 HydrophobicContact CE-CD1 3.51Å; M379-K436 HydrophobicContact CE-CB 3.89Å; M379-K436 HydrophobicContact CE-CD 4.46Å; M379-I437 HydrophobicContact CE-CG1 4.33Å; M379-I437 HydrophobicContact SD-CG1 3.87Å; M379-K440 HydrophobicContact CG-CD 3.72Å; M379-K440 HydrophobicContact SD-CD 3.54Å; M379-K440 VanDerWaalsContact SD-CD 3.54Å
380A90.1Very high88.5Confident87 Ų8764 Ų6472%0.71937%0.373SS*.THydrogen-bonded Turntrans54.334.5-173.300000113.4C376 D377C376-A380 PolarHBondContact O-N 2.97Å; C376-A380 VanDerWaalsContact O-N 3.15Å; D377-A380 PolarHBondContact O-N 2.85Å
381L92.1Very high88.5Confident10 Ų1060.9 Ų60.95%0.05235%0.351CS..  trans-87.8136.9173.4-52.9177000109.2C376 M379 F383 V393 T395 L433 I437C376-L381 HydrophobicContact CB-CB 4.08Å; C376-L381 HydrophobicContact CB-CD1 4.49Å; C376-L381 PolarHBondContact O-N 3.49Å; M379-L381 HydrophobicContact CB-CD1 3.99Å; M379-L381 HydrophobicContact CB-CD2 4.46Å; M379-L381 HydrophobicContact CB-CG 3.73Å; M379-L381 HydrophobicContact CE-CD1 4.44Å; M379-L381 PolarHBondContact O-N 3.28Å; M379-L381 HydrophobicContact SD-CD1 4.27Å; L381-F383 PolarHBondContact O-N 3.49Å; L381-V393 HydrophobicContact CB-CG1 3.87Å; L381-V393 HydrophobicContact CD1-CG1 4.17Å; L381-T395 HydrophobicContact CD2-CG2 3.89Å; L381-L433 HydrophobicContact CD1-CD1 4.11Å; L381-L433 HydrophobicContact CD1-CD2 4.4Å; L381-L433 HydrophobicContact CD2-CD1 4.19Å; L381-L433 HydrophobicContact CD2-CD2 4.17Å; L381-I437 HydrophobicContact CD1-CD1 3.89Å; L381-I437 HydrophobicContact CD1-CG1 4.27Å
382V92.6Very high88.4Confident88 Ų8861.5 Ų61.553%0.53335%0.353SS..EExtended strand (participates in β ladder)trans-75116.8174.9177.70000108.5V393 S394V382-V393 CarbonylContact O-C 3.56Å; V382-V393 VanDerWaalsContact O-CA 3.29Å; V382-V393 WeakPolarHBondContact O-CA 3.43Å; V382-S394 WeakPolarHBondContact CB-O 3.37Å; V382-S394 WeakPolarHBondContact CB-OG 3.45Å; V382-S394 PolarHBondContact N-O 2.95Å; V382-S394 PolarHBondContact O-N 2.75Å
383F93.4Very high88.4Confident39 Ų3961.5 Ų61.517%0.17135%0.353CS..EExtended strand (participates in β ladder)trans-106.1125.2179.2-177.5-78.3000110.6L369 L372 K373 C376 L381 L385 V391 V393L369-F383 HydrophobicContact CD1-CZ 3.87Å; L369-F383 HydrophobicContact CG-CZ 4.45Å; L372-F383 HydrophobicContact CD2-CE2 4.22Å; L372-F383 HydrophobicContact CG-CE2 4.12Å; K373-F383 HydrophobicContact CB-CD2 4.31Å; K373-F383 HydrophobicContact CB-CE1 4.28Å; K373-F383 HydrophobicContact CB-CE2 3.99Å; K373-F383 HydrophobicContact CB-CZ 3.99Å; K373-F383 HydrophobicContact CD-CE1 4.46Å; K373-F383 HydrophobicContact CG-CD1 4.09Å; K373-F383 HydrophobicContact CG-CD2 4.45Å; K373-F383 HydrophobicContact CG-CE1 4.2Å; K373-F383 HydrophobicContact CG-CG 4.23Å; K373-F383 HydrophobicContact CG-CZ 4.4Å; C376-F383 HydrophobicContact CB-CB 4.17Å; C376-F383 HydrophobicContact CB-CD2 4Å; L381-F383 PolarHBondContact O-N 3.49Å; F383-L385 HydrophobicContact CE1-CB 4.36Å; F383-V391 HydrophobicContact CD1-CG1 4.27Å; F383-V391 HydrophobicContact CD2-CG1 3.55Å; F383-V391 HydrophobicContact CE1-CG1 3.99Å; F383-V391 HydrophobicContact CE1-CG2 4.3Å; F383-V391 HydrophobicContact CE2-CB 4.2Å; F383-V391 HydrophobicContact CE2-CG1 3.26Å; F383-V391 HydrophobicContact CE2-CG2 3.91Å; F383-V391 HydrophobicContact CG-CG1 4.06Å; F383-V391 HydrophobicContact CZ-CB 4.18Å; F383-V391 HydrophobicContact CZ-CG1 3.49Å; F383-V391 VanDerWaalsContact CZ-CG1 3.49Å; F383-V391 HydrophobicContact CZ-CG2 3.52Å; F383-V393 HydrophobicContact CD2-CG2 4.4Å
384K92.3Very high88.4Confident143 Ų14358.5 Ų58.562%0.62234%0.344SS*.EExtended strand (participates in β ladder)trans-130.8112176-174.9177.8178.8179.90110.9T386 T392K384-T386 PolarHBondContact O-N 2.84Å; K384-T392 PolarHBondContact N-O 2.99Å; K384-T392 PolarHBondContact O-N 3.1Å
385L87.9Confident88.4Confident85 Ų8555.7 Ų55.745%0.44533%0.331SS..EExtended strand (participates in β ladder)trans-68.7122.1170.8-167.666.2000109.1L369 F383 C387 V391L369-L385 HydrophobicContact CD1-CD1 3.97Å; L369-L385 HydrophobicContact CD2-CD1 3.89Å; L369-L385 HydrophobicContact CD2-CD2 4.33Å; F383-L385 HydrophobicContact CE1-CB 4.36Å; L385-C387 VanDerWaalsContact CD1-O 3.24Å; L385-C387 WeakPolarHBondContact CD1-O 3.39Å; L385-V391 HydrophobicContact CD1-CG2 3.83Å
386T78.4Confident88Confident78 Ų7859.2 Ų59.248%0.47935%0.348SS..EExtended strand (participates in β ladder)trans-96.8-43.1-179.6-52.10000110.5K384 Q390 T392K384-T386 PolarHBondContact O-N 2.84Å; T386-Q390 PolarHBondContact N-O 3.03Å; T386-T392 PolarHBondContact OG1-OG1 2.62Å
387C75.1Confident87.3Confident61 Ų6160.1 Ų60.141%0.41235%0.353SS..EExtended strand (participates in β ladder)trans-151.6177.9168.868.90000109.6L385 Q389 Q390L385-C387 VanDerWaalsContact CD1-O 3.24Å; L385-C387 WeakPolarHBondContact CD1-O 3.39Å; C387-Q389 PolarHBondContact O-N 2.97Å; C387-Q390 PolarHBondContact N-O 3.19Å; C387-Q390 PolarHBondContact O-N 3.15Å; C387-Q390 VanDerWaalsContact O-N 3.08Å; C387-Q390 VanDerWaalsContact O-O 3.1Å; C387-Q390 WeakPolarHBondContact SG-CB 3.43Å
388T70.9Confident86.4Confident120 Ų12061.9 Ų61.974%0.73636%0.357SS*.THydrogen-bonded Turntrans-55.9-24.4-17546.20000114.5
389Q77.7Confident85.4Confident102 Ų10261.4 Ų61.448%0.47734%0.335SS..THydrogen-bonded Turntrans-117.69.3-178.6-65.3178.98.900113.5C387 F408 L409C387-Q389 PolarHBondContact O-N 2.97Å; Q389-F408 WeakPolarHBondContact O-CA 3.49Å; Q389-L409 PolarHBondContact O-N 3.34Å
390Q85.3Confident84.7Confident38 Ų3865.2 Ų65.218%0.17836%0.356CS..EExtended strand (participates in β ladder)trans-141.8125.2-175.6-167.8-178.134.300112.9T386 C387 V407 F408T386-Q390 PolarHBondContact N-O 3.03Å; C387-Q390 PolarHBondContact N-O 3.19Å; C387-Q390 PolarHBondContact O-N 3.15Å; C387-Q390 VanDerWaalsContact O-N 3.08Å; C387-Q390 VanDerWaalsContact O-O 3.1Å; C387-Q390 WeakPolarHBondContact SG-CB 3.43Å; Q390-V407 WeakPolarHBondContact CA-O 3.12Å; Q390-F408 HydrophobicContact CG-CD1 4.21Å; Q390-F408 HydrophobicContact CG-CE1 4.04Å; Q390-F408 HydrophobicContact CG-CZ 4.47Å
391V90.5Very high84.1Confident0 Ų064.6 Ų64.60%034%0.341CS..EExtended strand (participates in β ladder)trans-112.8140.7174.4178.20000109.3L369 F383 L385 V393 K406 V407 L409L369-V391 HydrophobicContact CD1-CG2 3.34Å; F383-V391 HydrophobicContact CD1-CG1 4.27Å; F383-V391 HydrophobicContact CD2-CG1 3.55Å; F383-V391 HydrophobicContact CE1-CG1 3.99Å; F383-V391 HydrophobicContact CE1-CG2 4.3Å; F383-V391 HydrophobicContact CE2-CB 4.2Å; F383-V391 HydrophobicContact CE2-CG1 3.26Å; F383-V391 HydrophobicContact CE2-CG2 3.91Å; F383-V391 HydrophobicContact CG-CG1 4.06Å; F383-V391 HydrophobicContact CZ-CB 4.18Å; F383-V391 HydrophobicContact CZ-CG1 3.49Å; F383-V391 VanDerWaalsContact CZ-CG1 3.49Å; F383-V391 HydrophobicContact CZ-CG2 3.52Å; L385-V391 HydrophobicContact CD1-CG2 3.83Å; V391-V393 HydrophobicContact CG1-CG2 3.82Å; V391-K406 CarbonylContact O-C 3.46Å; V391-K406 WeakPolarHBondContact O-CA 3.44Å; V391-V407 HydrophobicContact CB-CB 4.25Å; V391-V407 PolarHBondContact N-O 3.33Å; V391-V407 PolarHBondContact O-N 3.08Å; V391-L409 HydrophobicContact CG2-CD1 4.24Å
392T90.6Very high83.6Confident29 Ų2970.8 Ų70.818%0.17837%0.368CS..EExtended strand (participates in β ladder)trans-105.6127164.4-59.30000108.7K384 T386 I404K384-T392 PolarHBondContact N-O 2.99Å; K384-T392 PolarHBondContact O-N 3.1Å; T386-T392 PolarHBondContact OG1-OG1 2.62Å; T392-I404 HydrophobicContact CG2-CG2 3.87Å
393V92.4Very high83.2Confident0 Ų066.7 Ų66.70%034%0.343CS..EExtended strand (participates in β ladder)trans-114.8134.6175-175.60000108.8L381 V382 F383 V391 I404 F405 V407L381-V393 HydrophobicContact CB-CG1 3.87Å; L381-V393 HydrophobicContact CD1-CG1 4.17Å; V382-V393 CarbonylContact O-C 3.56Å; V382-V393 VanDerWaalsContact O-CA 3.29Å; V382-V393 WeakPolarHBondContact O-CA 3.43Å; F383-V393 HydrophobicContact CD2-CG2 4.4Å; V391-V393 HydrophobicContact CG1-CG2 3.82Å; V393-I404 WeakPolarHBondContact O-CA 3.43Å; V393-F405 HydrophobicContact CB-CD1 4.39Å; V393-F405 HydrophobicContact CB-CD2 4.09Å; V393-F405 HydrophobicContact CB-CE1 3.87Å; V393-F405 HydrophobicContact CB-CE2 3.55Å; V393-F405 HydrophobicContact CB-CG 4.49Å; V393-F405 HydrophobicContact CB-CZ 3.45Å; V393-F405 VanDerWaalsContact CB-CZ 3.45Å; V393-F405 HydrophobicContact CG1-CE1 3.76Å; V393-F405 HydrophobicContact CG1-CE2 4.03Å; V393-F405 HydrophobicContact CG1-CZ 3.4Å; V393-F405 VanDerWaalsContact CG1-CZ 3.4Å; V393-F405 HydrophobicContact CG2-CD2 4.47Å; V393-F405 HydrophobicContact CG2-CE2 3.8Å; V393-F405 HydrophobicContact CG2-CZ 4.06Å; V393-F405 PolarHBondContact N-O 3.49Å; V393-F405 PolarHBondContact O-N 3.33Å; V393-V407 HydrophobicContact CG2-CG2 4.28Å
394S91.8Very high82.8Confident35 Ų3567.1 Ų67.125%0.24535%0.346CS..EExtended strand (participates in β ladder)trans-135144.4176.960.80000112.8V382 L403V382-S394 WeakPolarHBondContact CB-O 3.37Å; V382-S394 WeakPolarHBondContact CB-OG 3.45Å; V382-S394 PolarHBondContact N-O 2.95Å; V382-S394 PolarHBondContact O-N 2.75Å; S394-L403 CarbonylContact C-O 3.57Å; S394-L403 VanDerWaalsContact CA-O 3.31Å; S394-L403 WeakPolarHBondContact CA-O 3.28Å
395T92.7Very high82.6Confident39 Ų3960.3 Ų60.324%0.23932%0.317CS..EExtended strand (participates in β ladder)trans-153.9-178.8177.3-167.50000110.7L381 L403 L433L381-T395 HydrophobicContact CD2-CG2 3.89Å; T395-L403 HydrophobicContact CG2-CB 4.02Å; T395-L403 HydrophobicContact CG2-CD2 4.1Å; T395-L403 HydrophobicContact CG2-CG 4.5Å; T395-L403 PolarHBondContact N-O 2.8Å; T395-L403 PolarHBondContact O-N 3.19Å; T395-L433 HydrophobicContact CG2-CD2 3.75Å
396L86.8Confident82.5Confident94 Ų9459.2 Ų59.249%0.49231%0.308SS..EExtended strand (participates in β ladder)trans-107.3133.3169.1-60.7170.9000107.8N400 N401 K402L396-N400 WeakPolarHBondContact CD1-OD1 3.4Å; L396-N401 WeakPolarHBondContact CA-O 3.19Å; L396-K402 HydrophobicContact CD2-CG 4.13Å
397D77.2Confident83Confident19 Ų1955.5 Ų55.510%0.10229%0.286CS..  trans-73.2178174.67212.7000111.5R399 N400 N401 E429D397-R399 PolarHBondContact O-N 3.13Å; D397-R399 VanDerWaalsContact OD1-CA 3.27Å; D397-R399 WeakPolarHBondContact OD1-CA 3.44Å; D397-R399 WeakPolarHBondContact OD1-CB 3.46Å; D397-R399 PolarHBondContact OD1-N 3.4Å; D397-N400 PolarHBondContact O-N 2.79Å; D397-N400 PolarHBondContact OD1-N 2.81Å; D397-N401 PolarHBondContact N-O 2.89Å; D397-N401 PolarHBondContact OD1-N 2.91Å; D397-N401 WeakPolarHBondContact OD2-CB 3.44Å; D397-E429 HydrophobicContact CB-CB 4.38Å; D397-E429 HydrophobicContact CB-CG 4.21Å
398K73.8Confident83.4Confident127 Ų12754.8 Ų54.855%0.55228%0.276SS*.THydrogen-bonded Turntrans-58.9-14.9179.174.1-168.2-177.2-155.60113.9E429K398-E429 WeakPolarHBondContact CD-OE1 3.43Å; K398-E429 WeakPolarHBondContact CE-OE1 3.38Å; K398-E429 IonicContact NZ-OE1 3.43Å; K398-E429 PolarHBondContact NZ-OE1 2.89Å
399R69.8Low84.1Confident53 Ų5349.2 Ų49.220%0.224%0.241CC..THydrogen-bonded Turntrans-11014.2-178.5-53.5-167.9172.1147.6-10.7111.7D209 E217 D397 N401D209-R399 WeakPolarHBondContact OD1-CD 3.29Å; D209-R399 IonicContact OD1-CZ 2.63Å; D209-R399 IonicContact OD1-NE 3.91Å; D209-R399 IonicContact OD1-NH1 2.86Å; D209-R399 PolarHBondContact OD1-NH1 2.64Å; D209-R399 WeakPolarHBondContact OD2-CD 3.2Å; D209-R399 IonicContact OD2-NE 2.82Å; E217-R399 IonicContact OE1-CZ 3.3Å; E217-R399 IonicContact OE1-NE 2.75Å; E217-R399 PolarHBondContact OE1-NE 3.39Å; E217-R399 IonicContact OE1-NH2 2.6Å; E217-R399 PolarHBondContact OE1-NH2 3.28Å; D397-R399 PolarHBondContact O-N 3.13Å; D397-R399 VanDerWaalsContact OD1-CA 3.27Å; D397-R399 WeakPolarHBondContact OD1-CA 3.44Å; D397-R399 WeakPolarHBondContact OD1-CB 3.46Å; D397-R399 PolarHBondContact OD1-N 3.4Å; R399-N401 PolarHBondContact O-N 2.88Å
400N77.6Confident84.3Confident122 Ų12247.8 Ų47.865%0.65224%0.237SC*.SBendtrans65.617.9178-150.942.4000114.8L396 D397L396-N400 WeakPolarHBondContact CD1-OD1 3.4Å; D397-N400 PolarHBondContact O-N 2.79Å; D397-N400 PolarHBondContact OD1-N 2.81Å
401N77.3Confident84Confident75 Ų7552.5 Ų52.540%0.40126%0.258SS..  trans-85.6148.3173.7-60.5-56.1000110.8L396 D397 R399 L403L396-N401 WeakPolarHBondContact CA-O 3.19Å; D397-N401 PolarHBondContact N-O 2.89Å; D397-N401 PolarHBondContact OD1-N 2.91Å; D397-N401 WeakPolarHBondContact OD2-CB 3.44Å; R399-N401 PolarHBondContact O-N 2.88Å; N401-L403 PolarHBondContact O-N 3.23Å
402K80.6Confident82.9Confident139 Ų13954.7 Ų54.760%0.60427%0.269SS*.EExtended strand (participates in β ladder)trans-68.9122.8177.8-68.7-176.5179.4179.60110.8L396L396-K402 HydrophobicContact CD2-CG 4.13Å
403L84.9Confident81.5Confident3 Ų360 Ų602%0.01630%0.297CS..EExtended strand (participates in β ladder)trans-113.5120.2172.5-17166.9000109.3S394 T395 N401 L422 K424 D426 E429 F430 L433S394-L403 CarbonylContact C-O 3.57Å; S394-L403 VanDerWaalsContact CA-O 3.31Å; S394-L403 WeakPolarHBondContact CA-O 3.28Å; T395-L403 HydrophobicContact CG2-CB 4.02Å; T395-L403 HydrophobicContact CG2-CD2 4.1Å; T395-L403 HydrophobicContact CG2-CG 4.5Å; T395-L403 PolarHBondContact N-O 2.8Å; T395-L403 PolarHBondContact O-N 3.19Å; N401-L403 PolarHBondContact O-N 3.23Å; L403-L422 HydrophobicContact CD1-CD1 3.83Å; L403-K424 CarbonylContact C-O 3.37Å; L403-K424 WeakPolarHBondContact CA-O 3.48Å; L403-D426 WeakPolarHBondContact CD1-O 3.47Å; L403-E429 HydrophobicContact CD2-CB 4.36Å; L403-F430 HydrophobicContact CD1-CB 4.03Å; L403-L433 HydrophobicContact CD2-CD2 3.97Å
404I85.6Confident80.2Confident47 Ų4769.5 Ų69.524%0.24134%0.341CS..EExtended strand (participates in β ladder)trans-132131.2-177.8-49.8177.6000108.6T392 V393 S423 K424T392-I404 HydrophobicContact CG2-CG2 3.87Å; V393-I404 WeakPolarHBondContact O-CA 3.43Å; I404-S423 CarbonylContact O-C 3.32Å; I404-S423 WeakPolarHBondContact O-CA 3.46Å; I404-S423 WeakPolarHBondContact O-CB 3.34Å; I404-S423 PolarHBondContact O-N 3.38Å; I404-K424 HydrophobicContact CB-CB 4.13Å; I404-K424 HydrophobicContact CD1-CB 4.38Å; I404-K424 HydrophobicContact CD1-CD 4.44Å; I404-K424 HydrophobicContact CG1-CB 4.34Å; I404-K424 PolarHBondContact N-O 3.01Å; I404-K424 PolarHBondContact O-N 3.47Å
405F86.8Confident79.3Confident0 Ų070.6 Ų70.60%034%0.34CS..EExtended strand (participates in β ladder)trans-143.2157.1174.760.2-87.1000110.9V393 V407 F420 R421 F430 L433 I437V393-F405 HydrophobicContact CB-CD1 4.39Å; V393-F405 HydrophobicContact CB-CD2 4.09Å; V393-F405 HydrophobicContact CB-CE1 3.87Å; V393-F405 HydrophobicContact CB-CE2 3.55Å; V393-F405 HydrophobicContact CB-CG 4.49Å; V393-F405 HydrophobicContact CB-CZ 3.45Å; V393-F405 VanDerWaalsContact CB-CZ 3.45Å; V393-F405 HydrophobicContact CG1-CE1 3.76Å; V393-F405 HydrophobicContact CG1-CE2 4.03Å; V393-F405 HydrophobicContact CG1-CZ 3.4Å; V393-F405 VanDerWaalsContact CG1-CZ 3.4Å; V393-F405 HydrophobicContact CG2-CD2 4.47Å; V393-F405 HydrophobicContact CG2-CE2 3.8Å; V393-F405 HydrophobicContact CG2-CZ 4.06Å; V393-F405 PolarHBondContact N-O 3.49Å; V393-F405 PolarHBondContact O-N 3.33Å; F405-V407 HydrophobicContact CD2-CG2 4.03Å; F405-V407 HydrophobicContact CE2-CG2 3.93Å; F405-F420 AromaticContact CD2-CD1 3.81Å; F405-F420 HydrophobicContact CD2-CD1 3.81Å; F405-F420 AromaticContact CE2-CD1 3.49Å; F405-F420 HydrophobicContact CE2-CD1 3.49Å; F405-F420 VanDerWaalsContact CE2-CD1 3.49Å; F405-F420 AromaticContact CE2-CE1 3.81Å; F405-F420 HydrophobicContact CE2-CE1 3.81Å; F405-R421 CarbonylContact C-O 3.58Å; F405-R421 VanDerWaalsContact CA-O 3.23Å; F405-R421 WeakPolarHBondContact CA-O 3.31Å; F405-R421 VanDerWaalsContact CB-O 3.22Å; F405-R421 WeakPolarHBondContact CB-O 3.45Å; F405-F430 HydrophobicContact CB-CD2 3.67Å; F405-F430 HydrophobicContact CB-CE2 3.47Å; F405-F430 VanDerWaalsContact CB-CE2 3.47Å; F405-F430 HydrophobicContact CB-CZ 4.44Å; F405-F430 AromaticContact CD1-CD2 3.8Å; F405-F430 HydrophobicContact CD1-CD2 3.8Å; F405-F430 HydrophobicContact CD1-CE2 4.12Å; F405-F430 HydrophobicContact CD2-CD2 4.35Å; F405-F430 AromaticContact CD2-CE2 3.82Å; F405-F430 HydrophobicContact CD2-CE2 3.82Å; F405-F430 AromaticContact CG-CD2 3.68Å; F405-F430 HydrophobicContact CG-CD2 3.68Å; F405-F430 AromaticContact CG-CE2 3.54Å; F405-F430 HydrophobicContact CG-CE2 3.54Å; F405-L433 HydrophobicContact CE1-CD2 3.57Å; F405-L433 HydrophobicContact CE1-CG 4.42Å; F405-L433 HydrophobicContact CZ-CD2 4.1Å; F405-I437 HydrophobicContact CE2-CD1 4.36Å; F405-I437 HydrophobicContact CZ-CD1 3.83Å
406K86.4Confident78.8Confident63 Ų6369 Ų6927%0.27433%0.33SS..EExtended strand (participates in β ladder)trans-107.4141.3177.7-70.3166.7175.2-179.30109.6V391 F408 F420 R421V391-K406 CarbonylContact O-C 3.46Å; V391-K406 WeakPolarHBondContact O-CA 3.44Å; K406-F408 HydrophobicContact CB-CD2 4.41Å; K406-F408 HydrophobicContact CB-CE2 3.7Å; K406-F408 HydrophobicContact CB-CZ 4.18Å; K406-F408 HydrophobicContact CD-CZ 4.31Å; K406-F420 CarbonylContact O-C 3.49Å; K406-F420 WeakPolarHBondContact O-CA 3.35Å; K406-R421 PolarHBondContact N-O 3.16Å; K406-R421 PolarHBondContact O-N 3.1Å
407V88.6Confident78.6Confident0 Ų064.8 Ų64.80%031%0.308CS..EExtended strand (participates in β ladder)trans-113.4122.4172.5-169.30000108L372 Q390 V391 V393 F405 L418 D419 F420L372-V407 HydrophobicContact CD2-CB 4.17Å; L372-V407 HydrophobicContact CD2-CG1 3.93Å; L372-V407 HydrophobicContact CD2-CG2 4.24Å; Q390-V407 WeakPolarHBondContact CA-O 3.12Å; V391-V407 HydrophobicContact CB-CB 4.25Å; V391-V407 PolarHBondContact N-O 3.33Å; V391-V407 PolarHBondContact O-N 3.08Å; V393-V407 HydrophobicContact CG2-CG2 4.28Å; F405-V407 HydrophobicContact CD2-CG2 4.03Å; F405-V407 HydrophobicContact CE2-CG2 3.93Å; V407-L418 HydrophobicContact CG1-CB 4.23Å; V407-L418 HydrophobicContact CG1-CD2 4.41Å; V407-D419 WeakPolarHBondContact CA-O 3.38Å; V407-F420 HydrophobicContact CG1-CD2 3.95Å; V407-F420 HydrophobicContact CG1-CE1 4.36Å; V407-F420 HydrophobicContact CG1-CE2 3.79Å; V407-F420 HydrophobicContact CG1-CG 4.29Å; V407-F420 HydrophobicContact CG1-CZ 3.99Å; V407-F420 HydrophobicContact CG2-CD1 3.53Å; V407-F420 HydrophobicContact CG2-CD2 4.43Å; V407-F420 HydrophobicContact CG2-CE1 3.54Å; V407-F420 HydrophobicContact CG2-CE2 4.44Å; V407-F420 HydrophobicContact CG2-CG 3.98Å; V407-F420 HydrophobicContact CG2-CZ 4.01Å
408F84.3Confident79.1Confident46 Ų4663.9 Ų63.920%0.20230%0.303CS..EExtended strand (participates in β ladder)trans-102.2131.4177.2-62.5-96.1000109.2Q389 Q390 K406 D419 R421Q389-F408 WeakPolarHBondContact O-CA 3.49Å; Q390-F408 HydrophobicContact CG-CD1 4.21Å; Q390-F408 HydrophobicContact CG-CE1 4.04Å; Q390-F408 HydrophobicContact CG-CZ 4.47Å; K406-F408 HydrophobicContact CB-CD2 4.41Å; K406-F408 HydrophobicContact CB-CE2 3.7Å; K406-F408 HydrophobicContact CB-CZ 4.18Å; K406-F408 HydrophobicContact CD-CZ 4.31Å; F408-D419 HydrophobicContact CB-CB 4.35Å; F408-D419 PolarHBondContact N-O 2.95Å; F408-D419 PolarHBondContact O-N 3.25Å; F408-R421 HydrophobicContact CD2-CG 3.94Å; F408-R421 HydrophobicContact CE2-CB 4.08Å; F408-R421 VanDerWaalsContact CE2-CD 3.49Å; F408-R421 HydrophobicContact CE2-CG 3.82Å
409L85.8Confident79.5Confident3 Ų358 Ų582%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-99.7117.9176.3-66.384.9000108.2L369 Q389 V391 V416 L418L369-L409 HydrophobicContact CB-CD2 4.13Å; L369-L409 HydrophobicContact CD1-CD1 4.15Å; L369-L409 HydrophobicContact CD1-CD2 4.15Å; Q389-L409 PolarHBondContact O-N 3.34Å; V391-L409 HydrophobicContact CG2-CD1 4.24Å; L409-V416 HydrophobicContact CB-CG1 4.17Å; L409-L418 HydrophobicContact CB-CD2 4.4Å; L409-L418 HydrophobicContact CD1-CD2 4.47Å; L409-L418 HydrophobicContact CD2-CD2 4.02Å; L409-L418 HydrophobicContact CG-CD2 3.59Å
410L81.5Confident80.3Confident72 Ų7255.6 Ų55.638%0.37727%0.269SS..EExtended strand (participates in β ladder)trans-117.5110.1179.8-61.3168.3000108.9L417L410-L417 HydrophobicContact CB-CB 4.26Å; L410-L417 HydrophobicContact CD1-CD2 4.17Å; L410-L417 PolarHBondContact N-O 3Å; L410-L417 PolarHBondContact O-N 3.06Å
411E79Confident80.4Confident136 Ų13653.5 Ų53.564%0.63625%0.251SS*.EExtended strand (participates in β ladder)trans-74.4128.3176.3-67.4-175.3-174.900110.9A365 V416A365-E411 HydrophobicContact CB-CG 4.21Å; A365-E411 VanDerWaalsContact CB-OE1 3.24Å; A365-E411 WeakPolarHBondContact CB-OE1 3.5Å; E411-V416 HydrophobicContact CG-CG2 4.21Å
412M67.8Low80.4Confident47 Ų4753 Ų5323%0.23225%0.248CC..EExtended strand (participates in β ladder)trans-142103.4-176-61.9-173.172.600110.8W349 F360 Q414 R415 L417W349-M412 HydrophobicContact CD2-CE 4.21Å; W349-M412 HydrophobicContact CE3-CE 3.33Å; W349-M412 HydrophobicContact CH2-CE 4.26Å; W349-M412 HydrophobicContact CZ3-CE 3.36Å; F360-M412 HydrophobicContact CE1-SD 3.99Å; F360-M412 HydrophobicContact CZ-SD 4.37Å; M412-Q414 PolarHBondContact O-N 3.43Å; M412-Q414 VanDerWaalsContact O-N 3.14Å; M412-R415 CarbonylContact C-O 3.55Å; M412-R415 PolarHBondContact N-O 2.94Å; M412-R415 PolarHBondContact O-N 3.33Å; M412-R415 VanDerWaalsContact O-O 3.04Å; M412-L417 HydrophobicContact SD-CB 4.31Å; M412-L417 HydrophobicContact SD-CD2 4.45Å
413N60.3Low80.1Confident140 Ų14048.9 Ų48.975%0.74924%0.237SC*.THydrogen-bonded Turntrans41.756.2167.8-61.5-21.6000113.9
414Q65.2Low79.4Confident199 Ų19954.6 Ų54.693%0.9326%0.262SS*.THydrogen-bonded Turntrans78.95.6-179.2-48.5175.1-9.500117.1M412M412-Q414 PolarHBondContact O-N 3.43Å; M412-Q414 VanDerWaalsContact O-N 3.14Å
415R72.6Confident78.8Confident59 Ų5954.2 Ų54.222%0.22327%0.269CS..EExtended strand (participates in β ladder)trans-125.4156.7170.6-61.6-177.1-175.2-164.9-3.3109.9F360 M412 C446F360-R415 HydrophobicContact CD1-CB 4.23Å; M412-R415 CarbonylContact C-O 3.55Å; M412-R415 PolarHBondContact N-O 2.94Å; M412-R415 PolarHBondContact O-N 3.33Å; M412-R415 VanDerWaalsContact O-O 3.04Å; R415-C446 PolarHBondContact NH1-SG 3.03Å
416V83.4Confident78.2Confident4 Ų455.6 Ų55.62%0.02428%0.277CS..EExtended strand (participates in β ladder)trans-113.7130.3173.9-175.30000109.1F360 T361 A365 L409 E411 L418F360-V416 CarbonylContact C-O 3.17Å; F360-V416 WeakPolarHBondContact CA-O 3.27Å; T361-V416 PolarHBondContact N-O 2.87Å; T361-V416 WeakPolarHBondContact OG1-CB 3.16Å; T361-V416 PolarHBondContact OG1-O 3.32Å; A365-V416 HydrophobicContact CB-CG2 4.17Å; L409-V416 HydrophobicContact CB-CG1 4.17Å; E411-V416 HydrophobicContact CG-CG2 4.21Å; V416-L418 HydrophobicContact CG1-CD2 4.36Å
417L83.3Confident77.6Confident6 Ų652.7 Ų52.73%0.03127%0.265CS..EExtended strand (participates in β ladder)trans-93.3122.6172179.473000108.6R358 F360 L410 M412R358-L417 HydrophobicContact CB-CD1 4.25Å; R358-L417 HydrophobicContact CG-CD1 4.38Å; F360-L417 HydrophobicContact CD1-CB 3.99Å; F360-L417 HydrophobicContact CD1-CD1 4.03Å; F360-L417 HydrophobicContact CD2-CD1 4.12Å; F360-L417 HydrophobicContact CE1-CB 3.78Å; F360-L417 HydrophobicContact CE1-CD1 3.9Å; F360-L417 HydrophobicContact CE1-CG 4.34Å; F360-L417 HydrophobicContact CE2-CD1 3.98Å; F360-L417 HydrophobicContact CG-CD1 4.14Å; F360-L417 HydrophobicContact CZ-CB 4.46Å; F360-L417 HydrophobicContact CZ-CD1 3.87Å; L410-L417 HydrophobicContact CB-CB 4.26Å; L410-L417 HydrophobicContact CD1-CD2 4.17Å; L410-L417 PolarHBondContact N-O 3Å; L410-L417 PolarHBondContact O-N 3.06Å; M412-L417 HydrophobicContact SD-CB 4.31Å; M412-L417 HydrophobicContact SD-CD2 4.45Å
418L86.6Confident77.1Confident1 Ų152.9 Ų52.91%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-93.2115.2168.7-60.1-174.6000109R358 F359 T361 V407 L409 V416 F420R358-L418 VanDerWaalsContact CA-O 3.25Å; R358-L418 WeakPolarHBondContact CA-O 3.49Å; R358-L418 WeakPolarHBondContact CB-O 3.18Å; F359-L418 HydrophobicContact CE2-CB 4.39Å; F359-L418 HydrophobicContact CE2-CD1 3.74Å; F359-L418 HydrophobicContact CE2-CG 4.37Å; F359-L418 HydrophobicContact CZ-CB 4.28Å; F359-L418 HydrophobicContact CZ-CD1 3.72Å; F359-L418 PolarHBondContact N-O 3.42Å; F359-L418 PolarHBondContact O-N 2.85Å; T361-L418 HydrophobicContact CG2-CD1 3.89Å; T361-L418 HydrophobicContact CG2-CG 3.99Å; V407-L418 HydrophobicContact CG1-CB 4.23Å; V407-L418 HydrophobicContact CG1-CD2 4.41Å; L409-L418 HydrophobicContact CB-CD2 4.4Å; L409-L418 HydrophobicContact CD1-CD2 4.47Å; L409-L418 HydrophobicContact CD2-CD2 4.02Å; L409-L418 HydrophobicContact CG-CD2 3.59Å; V416-L418 HydrophobicContact CG1-CD2 4.36Å; L418-F420 HydrophobicContact CB-CD2 4.42Å; L418-F420 HydrophobicContact CB-CE2 3.83Å
419D82.1Confident77Confident4 Ų451.9 Ų51.92%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-109.9110.4179.5-176.140000110V407 F408 R421V407-D419 WeakPolarHBondContact CA-O 3.38Å; F408-D419 HydrophobicContact CB-CB 4.35Å; F408-D419 PolarHBondContact N-O 2.95Å; F408-D419 PolarHBondContact O-N 3.25Å; D419-R421 IonicContact OD2-CZ 2.89Å; D419-R421 VanDerWaalsContact OD2-CZ 3.3Å; D419-R421 IonicContact OD2-NE 3.12Å; D419-R421 PolarHBondContact OD2-NE 3.38Å; D419-R421 IonicContact OD2-NH2 2.85Å; D419-R421 PolarHBondContact OD2-NH2 3.41Å
420F86.3Confident76.9Confident2 Ų252 Ų521%0.00926%0.263CS..EExtended strand (participates in β ladder)trans-93.4128.9-178.6-67.6-121.1000109.5T357 F359 L372 F405 K406 V407 L418 F430 F434 I437T357-F420 WeakPolarHBondContact O-CB 3.41Å; T357-F420 PolarHBondContact O-N 2.91Å; T357-F420 VanDerWaalsContact O-N 3.1Å; T357-F420 PolarHBondContact OG1-O 3.39Å; F359-F420 HydrophobicContact CD1-CE2 4.42Å; F359-F420 HydrophobicContact CE1-CD2 4.43Å; F359-F420 AromaticContact CE1-CE2 3.57Å; F359-F420 HydrophobicContact CE1-CE2 3.57Å; F359-F420 HydrophobicContact CE1-CZ 4.08Å; F359-F420 HydrophobicContact CZ-CE2 4.04Å; F359-F420 HydrophobicContact CZ-CZ 4.36Å; L372-F420 HydrophobicContact CD1-CE1 4.33Å; L372-F420 HydrophobicContact CD1-CZ 3.88Å; F405-F420 AromaticContact CD2-CD1 3.81Å; F405-F420 HydrophobicContact CD2-CD1 3.81Å; F405-F420 AromaticContact CE2-CD1 3.49Å; F405-F420 HydrophobicContact CE2-CD1 3.49Å; F405-F420 VanDerWaalsContact CE2-CD1 3.49Å; F405-F420 AromaticContact CE2-CE1 3.81Å; F405-F420 HydrophobicContact CE2-CE1 3.81Å; K406-F420 CarbonylContact O-C 3.49Å; K406-F420 WeakPolarHBondContact O-CA 3.35Å; V407-F420 HydrophobicContact CG1-CD2 3.95Å; V407-F420 HydrophobicContact CG1-CE1 4.36Å; V407-F420 HydrophobicContact CG1-CE2 3.79Å; V407-F420 HydrophobicContact CG1-CG 4.29Å; V407-F420 HydrophobicContact CG1-CZ 3.99Å; V407-F420 HydrophobicContact CG2-CD1 3.53Å; V407-F420 HydrophobicContact CG2-CD2 4.43Å; V407-F420 HydrophobicContact CG2-CE1 3.54Å; V407-F420 HydrophobicContact CG2-CE2 4.44Å; V407-F420 HydrophobicContact CG2-CG 3.98Å; V407-F420 HydrophobicContact CG2-CZ 4.01Å; L418-F420 HydrophobicContact CB-CD2 4.42Å; L418-F420 HydrophobicContact CB-CE2 3.83Å; F420-F430 HydrophobicContact CB-CE2 3.98Å; F420-F430 HydrophobicContact CB-CZ 3.73Å; F420-F434 HydrophobicContact CB-CD2 3.93Å; F420-F434 HydrophobicContact CB-CE2 4.44Å; F420-F434 AromaticContact CD1-CD2 3.92Å; F420-F434 HydrophobicContact CD1-CD2 3.92Å; F420-F434 AromaticContact CD2-CD2 3.68Å; F420-F434 HydrophobicContact CD2-CD2 3.68Å; F420-F434 AromaticContact CD2-CE2 3.62Å; F420-F434 HydrophobicContact CD2-CE2 3.62Å; F420-F434 HydrophobicContact CE1-CD2 4.35Å; F420-F434 HydrophobicContact CE2-CD2 4.13Å; F420-F434 AromaticContact CE2-CE2 3.98Å; F420-F434 HydrophobicContact CE2-CE2 3.98Å; F420-F434 AromaticContact CG-CD2 3.58Å; F420-F434 HydrophobicContact CG-CD2 3.58Å; F420-F434 HydrophobicContact CG-CE2 4.02Å; F420-F434 HydrophobicContact CZ-CD2 4.46Å; F420-I437 HydrophobicContact CE1-CD1 4.12Å; F420-I437 HydrophobicContact CE1-CG2 4.08Å; F420-I437 HydrophobicContact CZ-CG2 3.94Å
421R79.2Confident76.9Confident77 Ų7748.8 Ų48.829%0.29125%0.245SC..EExtended strand (participates in β ladder)trans-128.1121.1-179.1-56.3-165.7-170.9177.21111.4F405 K406 F408 D419 S423F405-R421 CarbonylContact C-O 3.58Å; F405-R421 VanDerWaalsContact CA-O 3.23Å; F405-R421 WeakPolarHBondContact CA-O 3.31Å; F405-R421 VanDerWaalsContact CB-O 3.22Å; F405-R421 WeakPolarHBondContact CB-O 3.45Å; K406-R421 PolarHBondContact N-O 3.16Å; K406-R421 PolarHBondContact O-N 3.1Å; F408-R421 HydrophobicContact CD2-CG 3.94Å; F408-R421 HydrophobicContact CE2-CB 4.08Å; F408-R421 VanDerWaalsContact CE2-CD 3.49Å; F408-R421 HydrophobicContact CE2-CG 3.82Å; D419-R421 IonicContact OD2-CZ 2.89Å; D419-R421 VanDerWaalsContact OD2-CZ 3.3Å; D419-R421 IonicContact OD2-NE 3.12Å; D419-R421 PolarHBondContact OD2-NE 3.38Å; D419-R421 IonicContact OD2-NH2 2.85Å; D419-R421 PolarHBondContact OD2-NH2 3.41Å; R421-S423 PolarHBondContact O-N 3.04Å
422L77.4Confident77.1Confident64 Ų6443.5 Ų43.534%0.33522%0.22SC..EExtended strand (participates in β ladder)trans-58.4135.1172.9-17365.9000110.1L403 F430L403-L422 HydrophobicContact CD1-CD1 3.83Å; L422-F430 HydrophobicContact CB-CD1 3.87Å; L422-F430 HydrophobicContact CB-CE1 4.07Å; L422-F430 HydrophobicContact CB-CG 4.12Å; L422-F430 HydrophobicContact CD1-CB 3.52Å; L422-F430 HydrophobicContact CD1-CD1 4.28Å; L422-F430 HydrophobicContact CD1-CD2 4.15Å; L422-F430 HydrophobicContact CD1-CG 3.73Å; L422-F430 HydrophobicContact CG-CB 4.49Å; L422-F430 HydrophobicContact CG-CG 4.44Å
423S74.2Confident78Confident53 Ų5342.2 Ų42.237%0.37121%0.214SC..EExtended strand (participates in β ladder)trans-113.4-35.2172.9-59.10000111.8I404 R421I404-S423 CarbonylContact O-C 3.32Å; I404-S423 WeakPolarHBondContact O-CA 3.46Å; I404-S423 WeakPolarHBondContact O-CB 3.34Å; I404-S423 PolarHBondContact O-N 3.38Å; R421-S423 PolarHBondContact O-N 3.04Å
424K71.5Confident79.4Confident124 Ų12435.8 Ų35.854%0.53918%0.179SC..EExtended strand (participates in β ladder)trans-157.3142.9177.3-175.5169.3-178.5165.40111L403 I404L403-K424 CarbonylContact C-O 3.37Å; L403-K424 WeakPolarHBondContact CA-O 3.48Å; I404-K424 HydrophobicContact CB-CB 4.13Å; I404-K424 HydrophobicContact CD1-CB 4.38Å; I404-K424 HydrophobicContact CD1-CD 4.44Å; I404-K424 HydrophobicContact CG1-CB 4.34Å; I404-K424 PolarHBondContact N-O 3.01Å; I404-K424 PolarHBondContact O-N 3.47Å
425G72.3Confident80.3Confident38 Ų3828.9 Ų28.939%0.39215%0.15SC..SBendtrans112.6-171.1173.900000113
426D74.8Confident81.1Confident29 Ų2931.8 Ų31.816%0.15516%0.164CC..  trans-71.6125.3178.9-179.9-51.2000110.8L403 L428 E429 F430L403-D426 WeakPolarHBondContact CD1-O 3.47Å; D426-L428 PolarHBondContact O-N 2.91Å; D426-L428 WeakPolarHBondContact OD1-CA 3.43Å; D426-L428 WeakPolarHBondContact OD1-CB 3.44Å; D426-L428 PolarHBondContact OD1-N 3.12Å; D426-E429 HydrophobicContact CB-CB 4.06Å; D426-E429 HydrophobicContact CB-CG 4.05Å; D426-E429 PolarHBondContact OD1-N 2.89Å; D426-F430 PolarHBondContact O-N 2.93Å
427G74.5Confident81.4Confident3 Ų331.6 Ų31.63%0.03116%0.163CC..Hα-helixtrans-65.8-36.6-178.500000114.2F93 F430 K431F93-G427 VanDerWaalsContact CZ-CA 3.45Å; F93-G427 WeakPolarHBondContact CZ-O 3.42Å; G427-F430 WeakPolarHBondContact O-CB 3.39Å; G427-F430 PolarHBondContact O-N 2.97Å; G427-K431 WeakPolarHBondContact O-CG 3.31Å; G427-K431 PolarHBondContact O-N 3.34Å
428L77.4Confident81.6Confident4 Ų435 Ų352%0.02118%0.178CC..Hα-helixtrans-72.4-39.2-179.8-66.7171.3000110.6F93 I96 L206 D426 F430 K431 R432F93-L428 HydrophobicContact CE2-CD2 4.04Å; F93-L428 HydrophobicContact CE2-CG 4.08Å; F93-L428 HydrophobicContact CZ-CD2 4.36Å; I96-L428 HydrophobicContact CG2-CD2 3.96Å; L206-L428 HydrophobicContact CG-CD1 4.16Å; D426-L428 PolarHBondContact O-N 2.91Å; D426-L428 WeakPolarHBondContact OD1-CA 3.43Å; D426-L428 WeakPolarHBondContact OD1-CB 3.44Å; D426-L428 PolarHBondContact OD1-N 3.12Å; L428-F430 VanDerWaalsContact C-N 3.31Å; L428-F430 PolarHBondContact O-N 3.43Å; L428-K431 PolarHBondContact O-N 2.94Å; L428-R432 WeakPolarHBondContact O-CG 3.45Å; L428-R432 PolarHBondContact O-N 2.89Å
429E81.3Confident81.7Confident24 Ų2441.7 Ų41.711%0.11221%0.209CC..Hα-helixtrans-60.5-41.7169.6-70.7-63.6141.700111.4D397 K398 L403 D426 K431 R432 L433D397-E429 HydrophobicContact CB-CB 4.38Å; D397-E429 HydrophobicContact CB-CG 4.21Å; K398-E429 WeakPolarHBondContact CD-OE1 3.43Å; K398-E429 WeakPolarHBondContact CE-OE1 3.38Å; K398-E429 IonicContact NZ-OE1 3.43Å; K398-E429 PolarHBondContact NZ-OE1 2.89Å; L403-E429 HydrophobicContact CD2-CB 4.36Å; D426-E429 HydrophobicContact CB-CB 4.06Å; D426-E429 HydrophobicContact CB-CG 4.05Å; D426-E429 PolarHBondContact OD1-N 2.89Å; E429-K431 PolarHBondContact O-N 3.47Å; E429-R432 VanDerWaalsContact CD-NH1 3.35Å; E429-R432 WeakPolarHBondContact O-CB 3.42Å; E429-R432 PolarHBondContact O-N 2.89Å; E429-R432 IonicContact OE1-CZ 3.78Å; E429-R432 IonicContact OE1-NE 2.81Å; E429-R432 IonicContact OE1-NH1 3.82Å; E429-R432 PolarHBondContact OE1-NH1 3.43Å; E429-L433 WeakPolarHBondContact O-CB 3.41Å; E429-L433 PolarHBondContact O-N 2.87Å
430F84.3Confident82Confident7 Ų747.3 Ų47.33%0.03123%0.233CC..Hα-helixtrans-57-47.7171.4161.1-109.9000112.4T357 L403 F405 F420 L422 D426 G427 L428 R432 L433 F434T357-F430 HydrophobicContact CG2-CD1 4.49Å; T357-F430 HydrophobicContact CG2-CE1 3.72Å; T357-F430 HydrophobicContact CG2-CZ 4.16Å; L403-F430 HydrophobicContact CD1-CB 4.03Å; F405-F430 HydrophobicContact CB-CD2 3.67Å; F405-F430 HydrophobicContact CB-CE2 3.47Å; F405-F430 VanDerWaalsContact CB-CE2 3.47Å; F405-F430 HydrophobicContact CB-CZ 4.44Å; F405-F430 AromaticContact CD1-CD2 3.8Å; F405-F430 HydrophobicContact CD1-CD2 3.8Å; F405-F430 HydrophobicContact CD1-CE2 4.12Å; F405-F430 HydrophobicContact CD2-CD2 4.35Å; F405-F430 AromaticContact CD2-CE2 3.82Å; F405-F430 HydrophobicContact CD2-CE2 3.82Å; F405-F430 AromaticContact CG-CD2 3.68Å; F405-F430 HydrophobicContact CG-CD2 3.68Å; F405-F430 AromaticContact CG-CE2 3.54Å; F405-F430 HydrophobicContact CG-CE2 3.54Å; F420-F430 HydrophobicContact CB-CE2 3.98Å; F420-F430 HydrophobicContact CB-CZ 3.73Å; L422-F430 HydrophobicContact CB-CD1 3.87Å; L422-F430 HydrophobicContact CB-CE1 4.07Å; L422-F430 HydrophobicContact CB-CG 4.12Å; L422-F430 HydrophobicContact CD1-CB 3.52Å; L422-F430 HydrophobicContact CD1-CD1 4.28Å; L422-F430 HydrophobicContact CD1-CD2 4.15Å; L422-F430 HydrophobicContact CD1-CG 3.73Å; L422-F430 HydrophobicContact CG-CB 4.49Å; L422-F430 HydrophobicContact CG-CG 4.44Å; D426-F430 PolarHBondContact O-N 2.93Å; G427-F430 WeakPolarHBondContact O-CB 3.39Å; G427-F430 PolarHBondContact O-N 2.97Å; L428-F430 VanDerWaalsContact C-N 3.31Å; L428-F430 PolarHBondContact O-N 3.43Å; F430-R432 PolarHBondContact O-N 2.92Å; F430-L433 PolarHBondContact O-N 3.32Å; F430-F434 WeakPolarHBondContact O-CB 2.97Å; F430-F434 PolarHBondContact O-N 2.75Å
431K80.8Confident82.2Confident3 Ų347.3 Ų47.31%0.01323%0.234CC..Hα-helixtrans-64.7-39.1177.3-72.8-168.4-179.3-1740112.3F93 D94 I96 P98 T357 G427 L428 E429 L433 F434 V435F93-K431 HydrophobicContact CE1-CD 4.25Å; F93-K431 VanDerWaalsContact CE1-CE 3.42Å; F93-K431 HydrophobicContact CE1-CG 4.35Å; F93-K431 HydrophobicContact CZ-CD 4.22Å; F93-K431 HydrophobicContact CZ-CG 4.33Å; F93-K431 PolarHBondContact O-NZ 2.83Å; D94-K431 PolarHBondContact O-NZ 3.19Å; D94-K431 VanDerWaalsContact O-NZ 3.11Å; I96-K431 PolarHBondContact O-NZ 2.88Å; P98-K431 HydrophobicContact CB-CB 4.4Å; P98-K431 HydrophobicContact CG-CB 3.24Å; P98-K431 HydrophobicContact CG-CD 3.86Å; P98-K431 HydrophobicContact CG-CG 4.23Å; T357-K431 HydrophobicContact CG2-CG 3.85Å; G427-K431 WeakPolarHBondContact O-CG 3.31Å; G427-K431 PolarHBondContact O-N 3.34Å; L428-K431 PolarHBondContact O-N 2.94Å; E429-K431 PolarHBondContact O-N 3.47Å; K431-L433 VanDerWaalsContact C-N 3.33Å; K431-L433 PolarHBondContact O-N 3.01Å; K431-F434 WeakPolarHBondContact O-CB 3.48Å; K431-F434 PolarHBondContact O-N 2.9Å; K431-V435 WeakPolarHBondContact O-CG2 3.29Å; K431-V435 PolarHBondContact O-N 3.22Å
432R83.4Confident82.4Confident26 Ų2645.7 Ų45.710%0.09824%0.24CC..Hα-helixtrans-58.3-46.9173.5-73.5179.6-176.3104.35.3110.9P98 D99 E205 L428 E429 F430 V435 K436P98-R432 HydrophobicContact CB-CG 3.73Å; D99-R432 IonicContact OD1-CZ 2.64Å; D99-R432 VanDerWaalsContact OD1-CZ 3.25Å; D99-R432 IonicContact OD1-NE 3.66Å; D99-R432 PolarHBondContact OD1-NE 2.9Å; D99-R432 IonicContact OD1-NH2 3.99Å; D99-R432 PolarHBondContact OD1-NH2 2.85Å; D99-R432 WeakPolarHBondContact OD2-CD 3.46Å; D99-R432 IonicContact OD2-CZ 3.45Å; D99-R432 IonicContact OD2-NE 3.49Å; D99-R432 PolarHBondContact OD2-NE 3.26Å; D99-R432 IonicContact OD2-NH2 2.9Å; E205-R432 IonicContact OE2-NH2 2.94Å; L428-R432 WeakPolarHBondContact O-CG 3.45Å; L428-R432 PolarHBondContact O-N 2.89Å; E429-R432 VanDerWaalsContact CD-NH1 3.35Å; E429-R432 WeakPolarHBondContact O-CB 3.42Å; E429-R432 PolarHBondContact O-N 2.89Å; E429-R432 IonicContact OE1-CZ 3.78Å; E429-R432 IonicContact OE1-NE 2.81Å; E429-R432 IonicContact OE1-NH1 3.82Å; E429-R432 PolarHBondContact OE1-NH1 3.43Å; F430-R432 PolarHBondContact O-N 2.92Å; R432-V435 PolarHBondContact O-N 2.91Å; R432-K436 WeakPolarHBondContact O-CG 3.29Å; R432-K436 PolarHBondContact O-N 3.33Å
433L87.7Confident82.7Confident20 Ų2048.4 Ų48.411%0.10526%0.255CS..Hα-helixtrans-64.6-42.3179-175.558.3000111.5M379 L381 T395 L403 F405 E429 F430 K431 V435 K436 I437M379-L433 HydrophobicContact CE-CD1 3.51Å; L381-L433 HydrophobicContact CD1-CD1 4.11Å; L381-L433 HydrophobicContact CD1-CD2 4.4Å; L381-L433 HydrophobicContact CD2-CD1 4.19Å; L381-L433 HydrophobicContact CD2-CD2 4.17Å; T395-L433 HydrophobicContact CG2-CD2 3.75Å; L403-L433 HydrophobicContact CD2-CD2 3.97Å; F405-L433 HydrophobicContact CE1-CD2 3.57Å; F405-L433 HydrophobicContact CE1-CG 4.42Å; F405-L433 HydrophobicContact CZ-CD2 4.1Å; E429-L433 WeakPolarHBondContact O-CB 3.41Å; E429-L433 PolarHBondContact O-N 2.87Å; F430-L433 PolarHBondContact O-N 3.32Å; K431-L433 VanDerWaalsContact C-N 3.33Å; K431-L433 PolarHBondContact O-N 3.01Å; L433-V435 VanDerWaalsContact C-N 3.34Å; L433-V435 PolarHBondContact O-N 3.38Å; L433-K436 PolarHBondContact O-N 3.38Å; L433-I437 HydrophobicContact CD1-CD1 4.4Å; L433-I437 HydrophobicContact CD1-CG1 4.48Å; L433-I437 HydrophobicContact CG-CD1 4.02Å; L433-I437 WeakPolarHBondContact O-CG1 3.39Å; L433-I437 PolarHBondContact O-N 2.99Å
434F88.4Confident83.2Confident4 Ų446.5 Ų46.52%0.01824%0.242CC..Hα-helixtrans-55.6-47.3172.3166.1-88.4000111.8M356 T357 R358 F359 F420 F430 K431 K436 I437 K438M356-F434 WeakPolarHBondContact O-CD1 3.27Å; M356-F434 WeakPolarHBondContact O-CE1 3.29Å; M356-F434 WeakPolarHBondContact O-CZ 3.46Å; T357-F434 VanDerWaalsContact CA-CE2 3.48Å; T357-F434 VanDerWaalsContact CA-CZ 3.41Å; T357-F434 HydrophobicContact CG2-CB 4.5Å; T357-F434 HydrophobicContact CG2-CD1 4.31Å; T357-F434 HydrophobicContact CG2-CG 4.19Å; T357-F434 WeakPolarHBondContact O-CE2 3.44Å; R358-F434 VanDerWaalsContact N-CZ 3.33Å; F359-F434 AromaticContact CD1-CE2 3.69Å; F359-F434 HydrophobicContact CD1-CE2 3.69Å; F359-F434 AromaticContact CD1-CZ 3.7Å; F359-F434 HydrophobicContact CD1-CZ 3.7Å; F359-F434 AromaticContact CE1-CE2 3.82Å; F359-F434 HydrophobicContact CE1-CE2 3.82Å; F359-F434 HydrophobicContact CE1-CZ 4.22Å; F420-F434 HydrophobicContact CB-CD2 3.93Å; F420-F434 HydrophobicContact CB-CE2 4.44Å; F420-F434 AromaticContact CD1-CD2 3.92Å; F420-F434 HydrophobicContact CD1-CD2 3.92Å; F420-F434 AromaticContact CD2-CD2 3.68Å; F420-F434 HydrophobicContact CD2-CD2 3.68Å; F420-F434 AromaticContact CD2-CE2 3.62Å; F420-F434 HydrophobicContact CD2-CE2 3.62Å; F420-F434 HydrophobicContact CE1-CD2 4.35Å; F420-F434 HydrophobicContact CE2-CD2 4.13Å; F420-F434 AromaticContact CE2-CE2 3.98Å; F420-F434 HydrophobicContact CE2-CE2 3.98Å; F420-F434 AromaticContact CG-CD2 3.58Å; F420-F434 HydrophobicContact CG-CD2 3.58Å; F420-F434 HydrophobicContact CG-CE2 4.02Å; F420-F434 HydrophobicContact CZ-CD2 4.46Å; F430-F434 WeakPolarHBondContact O-CB 2.97Å; F430-F434 PolarHBondContact O-N 2.75Å; K431-F434 WeakPolarHBondContact O-CB 3.48Å; K431-F434 PolarHBondContact O-N 2.9Å; F434-K436 VanDerWaalsContact C-N 3.31Å; F434-K436 PolarHBondContact O-N 2.84Å; F434-I437 PolarHBondContact O-N 3.44Å; F434-K438 HydrophobicContact CE1-CB 4.35Å; F434-K438 HydrophobicContact CE1-CD 3.88Å; F434-K438 HydrophobicContact CZ-CB 4.35Å; F434-K438 HydrophobicContact CZ-CD 3.86Å; F434-K438 WeakPolarHBondContact O-CB 3.39Å; F434-K438 PolarHBondContact O-N 3.11Å
435V85.4Confident83.7Confident55 Ų5541.4 Ų41.433%0.33322%0.221SC..Hα-helixtrans-61-42179.1171.40000110.8K431 R432 L433 K438 Q439K431-V435 WeakPolarHBondContact O-CG2 3.29Å; K431-V435 PolarHBondContact O-N 3.22Å; R432-V435 PolarHBondContact O-N 2.91Å; L433-V435 VanDerWaalsContact C-N 3.34Å; L433-V435 PolarHBondContact O-N 3.38Å; V435-K438 PolarHBondContact O-N 3.36Å; V435-Q439 WeakPolarHBondContact O-CB 3.37Å; V435-Q439 VanDerWaalsContact O-CG 3.28Å; V435-Q439 WeakPolarHBondContact O-CG 3.23Å; V435-Q439 PolarHBondContact O-N 3.16Å
436K88.3Confident83.8Confident119 Ų11941 Ų4152%0.51721%0.211SC..Hα-helixtrans-63.5-44.9175.8-70.3176.1-178.8177.60112.6M379 R432 L433 F434 Q439 K440M379-K436 HydrophobicContact CE-CB 3.89Å; M379-K436 HydrophobicContact CE-CD 4.46Å; R432-K436 WeakPolarHBondContact O-CG 3.29Å; R432-K436 PolarHBondContact O-N 3.33Å; L433-K436 PolarHBondContact O-N 3.38Å; F434-K436 VanDerWaalsContact C-N 3.31Å; F434-K436 PolarHBondContact O-N 2.84Å; K436-Q439 PolarHBondContact O-N 2.88Å; K436-K440 PolarHBondContact O-N 3.5Å
437I90.8Very high83.1Confident0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-60.8-48.1176.6-70.6168.5000109.8L372 V375 M379 L381 F405 F420 L433 F434 Q439 K440 L441L372-I437 HydrophobicContact CD1-CG2 3.86Å; V375-I437 HydrophobicContact CG1-CG1 4.49Å; V375-I437 HydrophobicContact CG1-CG2 4.23Å; M379-I437 HydrophobicContact CE-CG1 4.33Å; M379-I437 HydrophobicContact SD-CG1 3.87Å; L381-I437 HydrophobicContact CD1-CD1 3.89Å; L381-I437 HydrophobicContact CD1-CG1 4.27Å; F405-I437 HydrophobicContact CE2-CD1 4.36Å; F405-I437 HydrophobicContact CZ-CD1 3.83Å; F420-I437 HydrophobicContact CE1-CD1 4.12Å; F420-I437 HydrophobicContact CE1-CG2 4.08Å; F420-I437 HydrophobicContact CZ-CG2 3.94Å; L433-I437 HydrophobicContact CD1-CD1 4.4Å; L433-I437 HydrophobicContact CD1-CG1 4.48Å; L433-I437 HydrophobicContact CG-CD1 4.02Å; L433-I437 WeakPolarHBondContact O-CG1 3.39Å; L433-I437 PolarHBondContact O-N 2.99Å; F434-I437 PolarHBondContact O-N 3.44Å; I437-Q439 VanDerWaalsContact C-N 3.32Å; I437-Q439 PolarHBondContact O-N 3.07Å; I437-K440 PolarHBondContact O-N 2.93Å; I437-K440 VanDerWaalsContact O-N 3.16Å; I437-L441 HydrophobicContact CG2-CD1 3.72Å; I437-L441 HydrophobicContact CG2-CG 4.48Å; I437-L441 WeakPolarHBondContact O-CG 3.45Å; I437-L441 PolarHBondContact O-N 3.5Å
438K88Confident81.8Confident78 Ų7852 Ų5234%0.33927%0.27SS..Hα-helixtrans-60-39.9178.1-177.5178.5178.2176.30112.5F359 F434 V435 L441 V445F359-K438 HydrophobicContact CB-CD 4.32Å; F359-K438 HydrophobicContact CD1-CB 4.12Å; F359-K438 HydrophobicContact CD1-CD 3.92Å; F359-K438 HydrophobicContact CD1-CG 3.81Å; F359-K438 HydrophobicContact CE1-CB 4.01Å; F359-K438 HydrophobicContact CE1-CG 4.13Å; F359-K438 HydrophobicContact CG-CD 4.32Å; F359-K438 HydrophobicContact CG-CG 4.21Å; F434-K438 HydrophobicContact CE1-CB 4.35Å; F434-K438 HydrophobicContact CE1-CD 3.88Å; F434-K438 HydrophobicContact CZ-CB 4.35Å; F434-K438 HydrophobicContact CZ-CD 3.86Å; F434-K438 WeakPolarHBondContact O-CB 3.39Å; F434-K438 PolarHBondContact O-N 3.11Å; V435-K438 PolarHBondContact O-N 3.36Å; K438-L441 PolarHBondContact O-N 2.9Å; K438-V445 HydrophobicContact CG-CG2 4.21Å
439Q86.9Confident80.2Confident142 Ų14261.2 Ų61.266%0.66431%0.31SS*.Hα-helixtrans-64.7-41.3175.6-76.2171.6-500112V435 K436 I437 L441 G442V435-Q439 WeakPolarHBondContact O-CB 3.37Å; V435-Q439 VanDerWaalsContact O-CG 3.28Å; V435-Q439 WeakPolarHBondContact O-CG 3.23Å; V435-Q439 PolarHBondContact O-N 3.16Å; K436-Q439 PolarHBondContact O-N 2.88Å; I437-Q439 VanDerWaalsContact C-N 3.32Å; I437-Q439 PolarHBondContact O-N 3.07Å; Q439-L441 VanDerWaalsContact C-N 3.32Å; Q439-G442 PolarHBondContact O-N 3.09Å
440K90.4Very high78.2Confident121 Ų12163.4 Ų63.453%0.52632%0.322SS..Hα-helixtrans-70-27.4177.5-79.2177.3172.4-79.10113.5V375 M379 K436 I437 G442V375-K440 HydrophobicContact CG1-CB 3.71Å; V375-K440 HydrophobicContact CG1-CD 4.06Å; V375-K440 HydrophobicContact CG2-CB 3.98Å; M379-K440 HydrophobicContact CG-CD 3.72Å; M379-K440 HydrophobicContact SD-CD 3.54Å; M379-K440 VanDerWaalsContact SD-CD 3.54Å; K436-K440 PolarHBondContact O-N 3.5Å; I437-K440 PolarHBondContact O-N 2.93Å; I437-K440 VanDerWaalsContact O-N 3.16Å; K440-G442 PolarHBondContact O-N 3.08Å
441L89.8Confident75.8Confident3 Ų371.1 Ų71.12%0.01636%0.362CS..THydrogen-bonded Turntrans-85.416.9172.6-69.4169.7000113.2F359 A371 L372 V375 I437 K438 Q439 D443 V444 V445F359-L441 HydrophobicContact CE2-CD1 4.18Å; F359-L441 HydrophobicContact CZ-CD1 3.59Å; A371-L441 HydrophobicContact CB-CD2 3.77Å; A371-L441 WeakPolarHBondContact O-CD2 3.38Å; L372-L441 HydrophobicContact CD1-CD1 3.93Å; V375-L441 HydrophobicContact CB-CD2 4.23Å; V375-L441 HydrophobicContact CB-CG 4.38Å; V375-L441 HydrophobicContact CG2-CD2 3.57Å; V375-L441 HydrophobicContact CG2-CG 3.89Å; I437-L441 HydrophobicContact CG2-CD1 3.72Å; I437-L441 HydrophobicContact CG2-CG 4.48Å; I437-L441 WeakPolarHBondContact O-CG 3.45Å; I437-L441 PolarHBondContact O-N 3.5Å; K438-L441 PolarHBondContact O-N 2.9Å; Q439-L441 VanDerWaalsContact C-N 3.32Å; L441-D443 PolarHBondContact O-N 3.35Å; L441-V444 PolarHBondContact O-N 2.83Å; L441-V445 HydrophobicContact CB-CG2 3.98Å; L441-V445 WeakPolarHBondContact O-CG2 3.34Å; L441-V445 PolarHBondContact O-N 2.87Å
442G84Confident73.5Confident42 Ų4275.3 Ų75.343%0.43338%0.384SS..THydrogen-bonded Turntrans-58.2-23.8-171.700000115.3Q439 K440Q439-G442 PolarHBondContact O-N 3.09Å; K440-G442 PolarHBondContact O-N 3.08Å
443D83.5Confident71Confident121 Ų12179.1 Ų79.165%0.64741%0.412SS*.THydrogen-bonded Turntrans-71.8-34.9174.158.3-29.7000113.3N362 L441N362-D443 PolarHBondContact ND2-O 2.93Å; L441-D443 PolarHBondContact O-N 3.35Å
444V84.4Confident68.2Low14 Ų1485.3 Ų85.39%0.08544%0.444CS..THydrogen-bonded Turntrans-95.6-20.7-179.9-1780000112T361 N362 V363 A371 L441 C446T361-V444 CarbonylContact C-O 3.46Å; T361-V444 WeakPolarHBondContact CA-O 3.39Å; T361-V444 HydrophobicContact CG2-CG1 3.85Å; N362-V444 PolarHBondContact N-O 2.9Å; N362-V444 WeakPolarHBondContact OD1-CA 3.45Å; N362-V444 PolarHBondContact OD1-O 3.29Å; V363-V444 HydrophobicContact CB-CG1 4.48Å; V363-V444 HydrophobicContact CG1-CG1 4.33Å; V363-V444 HydrophobicContact CG2-CG1 3.43Å; V363-V444 VanDerWaalsContact CG2-CG1 3.43Å; A371-V444 HydrophobicContact CB-CG2 3.84Å; L441-V444 PolarHBondContact O-N 2.83Å; V444-C446 PolarHBondContact O-N 3.01Å
445V82.1Confident65.4Low16 Ų1693.6 Ų93.610%0.09750%0.495CS..BIsolated β-bridgetrans-69.9126.5179172.30000110.4F359 K438 L441 T447F359-V445 HydrophobicContact CD2-CB 4.4Å; F359-V445 HydrophobicContact CD2-CG1 4.39Å; F359-V445 HydrophobicContact CD2-CG2 3.55Å; F359-V445 HydrophobicContact CE2-CG2 3.62Å; F359-V445 HydrophobicContact CG-CG2 4.23Å; F359-V445 HydrophobicContact CZ-CG2 4.37Å; K438-V445 HydrophobicContact CG-CG2 4.21Å; L441-V445 HydrophobicContact CB-CG2 3.98Å; L441-V445 WeakPolarHBondContact O-CG2 3.34Å; L441-V445 PolarHBondContact O-N 2.87Å; V445-T447 PolarHBondContact O-N 3.1Å; V445-T447 VanDerWaalsContact O-N 3.13Å
446C74.3Confident64.4Low29 Ų2995.6 Ų95.620%0.19650%0.504CS..  trans-71109.3172.9-1700000110.2F360 R415 V444F360-C446 HydrophobicContact CB-CB 4.11Å; F360-C446 PolarHBondContact O-N 3.15Å; R415-C446 PolarHBondContact NH1-SG 3.03Å; V444-C446 PolarHBondContact O-N 3.01Å
447T59Low63.1Low127 Ų12794.3 Ų94.378%0.77950%0.503SS*.  trans-88.6-13.5178.750.80000113.9V445 K449V445-T447 PolarHBondContact O-N 3.1Å; V445-T447 VanDerWaalsContact O-N 3.13Å; T447-K449 PolarHBondContact O-N 3.19Å
448Q47.2Very low61.6Low137 Ų13799.6 Ų99.664%0.6453%0.531SS*.SBendtrans-64117.9175.4-79.7-179.2-10.700110.1I450Q448-I450 PolarHBondContact O-N 3.27Å
449K44.4Very low60Low197 Ų197100.8 Ų100.886%0.85754%0.542SS*.  trans-54.8123.5154-78-176.6178.8177.80106.3T447 L451T447-K449 PolarHBondContact O-N 3.19Å; K449-L451 PolarHBondContact O-N 2.97Å
450I38.8Very low58.4Low71 Ų7198.3 Ų98.336%0.36453%0.534SS..  trans-56.1100.3-177.6-59.3167.1000108.5Q448 L452Q448-I450 PolarHBondContact O-N 3.27Å; I450-L452 HydrophobicContact CG2-CB 4.37Å; I450-L452 HydrophobicContact CG2-CD1 3.64Å; I450-L452 HydrophobicContact CG2-CG 3.75Å
451L35Very low56.2Low168 Ų16896.7 Ų96.788%0.8854%0.535SS*.  trans-109.5103.7155.4-88.3158.8000104K449K449-L451 PolarHBondContact O-N 2.97Å
452L31.3Very low53.8Low91 Ų91103.4 Ų103.448%0.47657%0.572SS.*  trans-109.2149.5175.7-75.4170.7000109.3I450I450-L452 HydrophobicContact CG2-CB 4.37Å; I450-L452 HydrophobicContact CG2-CD1 3.64Å; I450-L452 HydrophobicContact CG2-CG 3.75Å
453P30.5Very low51.5Low106 Ų106108.2 Ų108.269%0.68858%0.583SS**  trans-60138.8-170.7-16.729.7000110.9T455P453-T455 PolarHBondContact O-N 2.98Å
454I29Very low48.9Very low150 Ų150107.1 Ų107.177%0.76958%0.577SS**  trans-74103.8169.3-54.7168.2000105.7A344A344-I454 HydrophobicContact CB-CG2 4.24Å
455T30.3Very low45.6Very low179 Ų179115.5 Ų115.5100%1.09862%0.622SS**  trans-134.70164.552.30000109.4P453P453-T455 PolarHBondContact O-N 2.98Å

Retrieved 455 of 455 residues in 129.8 ms (Link to these results)

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