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Fatty acyl-CoA reductase

Catalyzes the reduction of fatty acyl-CoA to fatty alcohols. Catalyzes the reduction of saturated and unsaturated C16 or C18 fatty acyl-CoA to fatty alcohols. It plays an essential role in the production of ether lipids/plasmalogens which synthesis requires fatty alcohols. In parallel, it is also required for wax monoesters production since fatty alcohols also constitute a substrate for their synthesis.

AlphaFold DB , UniProt , Accession A0A060WAL8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110523812, Length 518 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
1M79.8Confident95.9Very high113 Ų11352.9 Ų52.956%0.55729%0.292SS*.  0153.20-88.2178.1-93.100107.9W290 Y291 Q295 Q415M1-W290 HydrophobicContact CB-CH2 4.31Å; M1-W290 HydrophobicContact CB-CZ2 3.63Å; M1-W290 HydrophobicContact CE-CH2 4.22Å; M1-W290 HydrophobicContact CG-CZ2 4.34Å; M1-W290 HydrophobicContact SD-CH2 3.86Å; M1-W290 HydrophobicContact SD-CZ2 3.86Å; M1-Y291 HydrophobicContact CE-CD2 4.17Å; M1-Y291 HydrophobicContact CE-CE2 4.04Å; M1-Y291 HydrophobicContact SD-CD2 4.1Å; M1-Y291 HydrophobicContact SD-CE2 4.4Å; M1-Q295 HydrophobicContact SD-CG 4.08Å; M1-Q295 PolarHBondContact SD-NE2 3.36Å; M1-Q415 HydrophobicContact CE-CB 3.75Å; M1-Q415 HydrophobicContact CE-CG 4.13Å
2V92.9Very high96.1Very high71 Ų7149.3 Ų49.343%0.4327%0.272SS..  trans-56.4152.4165.3-65.50000109.4E6 W290V2-E6 HydrophobicContact CB-CB 4.17Å; V2-W290 WeakPolarHBondContact O-CZ2 3.17Å; V2-W290 PolarHBondContact O-NE1 3.38Å
3T96.8Very high96.3Very high51 Ų5145.5 Ų45.531%0.31325%0.251SS..  trans-66.1165.4174.562.60000111.2E6 Y7 W290 D420T3-E6 PolarHBondContact N-OE2 3.43Å; T3-E6 PolarHBondContact O-N 2.92Å; T3-E6 WeakPolarHBondContact OG1-CB 3.34Å; T3-E6 WeakPolarHBondContact OG1-CG 3.34Å; T3-E6 PolarHBondContact OG1-N 3.38Å; T3-E6 PolarHBondContact OG1-OE2 3.1Å; T3-Y7 PolarHBondContact O-N 2.81Å; T3-W290 PolarHBondContact O-NE1 2.93Å; T3-D420 WeakPolarHBondContact CA-OD2 3.49Å
4I97.9Very high96.5Very high0 Ų042.2 Ų42.20%023%0.233CC..Hα-helixtrans-59.8-48.8177.5-66175.2000111.1E6 Y7 Y8 A287 W290 M416 D420 F424I4-E6 PolarHBondContact O-N 3.37Å; I4-Y7 WeakPolarHBondContact O-CB 3.28Å; I4-Y7 PolarHBondContact O-N 3.39Å; I4-Y8 HydrophobicContact CG2-CD2 3.94Å; I4-Y8 HydrophobicContact CG2-CE2 3.77Å; I4-Y8 WeakPolarHBondContact O-CD2 3.14Å; I4-Y8 PolarHBondContact O-N 3.05Å; I4-A287 HydrophobicContact CD1-CB 3.94Å; I4-W290 HydrophobicContact CB-CG 4.36Å; I4-W290 HydrophobicContact CD1-CD2 4.48Å; I4-W290 HydrophobicContact CD1-CE3 4.43Å; I4-W290 HydrophobicContact CG1-CB 4.03Å; I4-W290 HydrophobicContact CG1-CD2 3.67Å; I4-W290 HydrophobicContact CG1-CE3 4.08Å; I4-W290 HydrophobicContact CG1-CG 3.63Å; I4-W290 HydrophobicContact CG2-CB 4.41Å; I4-M416 HydrophobicContact CD1-CE 3.82Å; I4-D420 HydrophobicContact CD1-CB 4.09Å; I4-D420 HydrophobicContact CG1-CB 4.3Å; I4-D420 PolarHBondContact N-OD1 3.31Å; I4-D420 VanDerWaalsContact N-OD1 3.13Å; I4-D420 PolarHBondContact N-OD2 3.12Å; I4-D420 VanDerWaalsContact N-OD2 3.15Å; I4-F424 HydrophobicContact CB-CD2 3.94Å; I4-F424 HydrophobicContact CB-CE2 3.68Å; I4-F424 HydrophobicContact CB-CZ 4.24Å; I4-F424 HydrophobicContact CD1-CB 4.05Å; I4-F424 HydrophobicContact CD1-CD2 3.66Å; I4-F424 HydrophobicContact CD1-CE2 4.31Å; I4-F424 HydrophobicContact CD1-CG 3.9Å; I4-F424 HydrophobicContact CG1-CD2 4.36Å; I4-F424 HydrophobicContact CG2-CD1 4.42Å; I4-F424 HydrophobicContact CG2-CD2 3.97Å; I4-F424 HydrophobicContact CG2-CE1 4.05Å; I4-F424 HydrophobicContact CG2-CE2 3.56Å; I4-F424 HydrophobicContact CG2-CG 4.39Å; I4-F424 HydrophobicContact CG2-CZ 3.61Å
5P98Very high96.6Very high32 Ų3239.4 Ų39.421%0.20822%0.217CC..Hα-helixtrans-61.3-44.1178.3-2536.8000113.4Y7 Y8 E9 D420 M423 F424P5-Y7 VanDerWaalsContact C-N 3.27Å; P5-Y7 PolarHBondContact O-N 2.89Å; P5-Y8 PolarHBondContact O-N 3.4Å; P5-E9 PolarHBondContact O-N 3.21Å; P5-E9 VanDerWaalsContact O-N 3.12Å; P5-D420 WeakPolarHBondContact CD-OD1 3.32Å; P5-M423 HydrophobicContact CG-SD 4.09Å; P5-F424 HydrophobicContact CG-CE2 4.12Å; P5-F424 HydrophobicContact CG-CZ 4.45Å
6E97.7Very high96.7Very high116 Ų11636.9 Ų36.954%0.54220%0.204SC..Hα-helixtrans-60.5-35.7178-74.9167.9160.100112.5V2 T3 I4 Y8 E9V2-E6 HydrophobicContact CB-CB 4.17Å; T3-E6 PolarHBondContact N-OE2 3.43Å; T3-E6 PolarHBondContact O-N 2.92Å; T3-E6 WeakPolarHBondContact OG1-CB 3.34Å; T3-E6 WeakPolarHBondContact OG1-CG 3.34Å; T3-E6 PolarHBondContact OG1-N 3.38Å; T3-E6 PolarHBondContact OG1-OE2 3.1Å; I4-E6 PolarHBondContact O-N 3.37Å; E6-Y8 VanDerWaalsContact C-N 3.31Å; E6-Y8 PolarHBondContact O-N 3.07Å; E6-E9 VanDerWaalsContact O-CB 3.3Å; E6-E9 WeakPolarHBondContact O-CB 3.35Å; E6-E9 PolarHBondContact O-N 2.82Å
7Y97.9Very high96.6Very high8 Ų836.1 Ų36.13%0.03121%0.205CC..Hα-helixtrans-63.8-38173.9166.6-95.7000111.9T3 I4 P5 E9 K11 V107 E146 A289 W290 G293 S294T3-Y7 PolarHBondContact O-N 2.81Å; I4-Y7 WeakPolarHBondContact O-CB 3.28Å; I4-Y7 PolarHBondContact O-N 3.39Å; P5-Y7 VanDerWaalsContact C-N 3.27Å; P5-Y7 PolarHBondContact O-N 2.89Å; Y7-E9 VanDerWaalsContact C-N 3.31Å; Y7-K11 WeakPolarHBondContact O-CD 3.48Å; Y7-K11 WeakPolarHBondContact O-CE 3.24Å; Y7-K11 PolarHBondContact O-NZ 3.1Å; Y7-V107 HydrophobicContact CE1-CG2 4.27Å; Y7-E146 WeakPolarHBondContact CE2-OE2 2.79Å; Y7-E146 PolarHBondContact OH-OE2 3.3Å; Y7-A289 PolarHBondContact OH-O 3.1Å; Y7-W290 VanDerWaalsContact CB-CD1 3.43Å; Y7-W290 HydrophobicContact CD1-CB 4.05Å; Y7-W290 HydrophobicContact CE1-CB 4.46Å; Y7-W290 HydrophobicContact CG-CB 4.41Å; Y7-W290 AromaticContact CG-CD1 3.75Å; Y7-W290 HydrophobicContact CG-CG 4.48Å; Y7-G293 VanDerWaalsContact CE2-C 3.46Å; Y7-G293 WeakPolarHBondContact OH-CA 3.42Å; Y7-S294 WeakPolarHBondContact CD2-OG 3.15Å
8Y98.5Very high96.4Very high0 Ų034.1 Ų34.10%019%0.194CC..Hα-helixtrans-81.6-11.3-178.5-76.5-71.6000113.5I4 P5 E6 G10 K11 V13 L30 C34 V107 F109 L286 A289 W290I4-Y8 HydrophobicContact CG2-CD2 3.94Å; I4-Y8 HydrophobicContact CG2-CE2 3.77Å; I4-Y8 WeakPolarHBondContact O-CD2 3.14Å; I4-Y8 PolarHBondContact O-N 3.05Å; P5-Y8 PolarHBondContact O-N 3.4Å; E6-Y8 VanDerWaalsContact C-N 3.31Å; E6-Y8 PolarHBondContact O-N 3.07Å; Y8-G10 PolarHBondContact O-N 3.36Å; Y8-K11 WeakPolarHBondContact O-CB 3.36Å; Y8-K11 PolarHBondContact O-N 3.18Å; Y8-K11 VanDerWaalsContact O-N 3.14Å; Y8-V13 HydrophobicContact CD1-CG2 4.34Å; Y8-L30 HydrophobicContact CD1-CD1 3.97Å; Y8-L30 HydrophobicContact CD2-CD1 4.38Å; Y8-L30 HydrophobicContact CE1-CD1 4.19Å; Y8-L30 HydrophobicContact CG-CD1 4.09Å; Y8-C34 HydrophobicContact CD2-CB 4.39Å; Y8-C34 VanDerWaalsContact CD2-SG 3.58Å; Y8-C34 HydrophobicContact CG-CB 4.33Å; Y8-V107 HydrophobicContact CE1-CG1 4.36Å; Y8-V107 HydrophobicContact CE1-CG2 4.22Å; Y8-F109 HydrophobicContact CE1-CE2 4.42Å; Y8-F109 HydrophobicContact CE1-CZ 4.26Å; Y8-F109 WeakPolarHBondContact OH-CZ 3.47Å; Y8-L286 HydrophobicContact CE2-CD2 4.4Å; Y8-L286 PolarHBondContact OH-O 3.43Å; Y8-A289 VanDerWaalsContact OH-CB 3.22Å; Y8-A289 WeakPolarHBondContact OH-CB 3.46Å; Y8-W290 HydrophobicContact CE2-CB 4.49Å
9E98.3Very high96.1Very high121 Ų12134.4 Ų34.457%0.56520%0.196SC*.THydrogen-bonded Turntrans-52.2128.5177.6-168.766.7-137.300112P5 E6 Y7 K11 G36P5-E9 PolarHBondContact O-N 3.21Å; P5-E9 VanDerWaalsContact O-N 3.12Å; E6-E9 VanDerWaalsContact O-CB 3.3Å; E6-E9 WeakPolarHBondContact O-CB 3.35Å; E6-E9 PolarHBondContact O-N 2.82Å; Y7-E9 VanDerWaalsContact C-N 3.31Å; E9-K11 PolarHBondContact O-N 3.31Å; E9-K11 VanDerWaalsContact O-N 3.09Å; E9-G36 WeakPolarHBondContact OE1-CA 3.43Å; E9-G36 VanDerWaalsContact OE2-CA 3.25Å; E9-G36 WeakPolarHBondContact OE2-CA 3.41Å
10G98.4Very high96Very high44 Ų4434.4 Ų34.445%0.45420%0.204SC..THydrogen-bonded Turntrans68.41.1178.300000115.9Y8 G36 K38Y8-G10 PolarHBondContact O-N 3.36Å; G10-G36 PolarHBondContact N-O 3.45Å; G10-K38 WeakPolarHBondContact O-CB 3.27Å
11K98.6Very high95.8Very high26 Ų2634.3 Ų34.311%0.11320%0.201CC..  trans-85.7147.1-176.3-67.7-171.6-177.7162.60113Y7 Y8 E9 K38 N106 V107 E146Y7-K11 WeakPolarHBondContact O-CD 3.48Å; Y7-K11 WeakPolarHBondContact O-CE 3.24Å; Y7-K11 PolarHBondContact O-NZ 3.1Å; Y8-K11 WeakPolarHBondContact O-CB 3.36Å; Y8-K11 PolarHBondContact O-N 3.18Å; Y8-K11 VanDerWaalsContact O-N 3.14Å; E9-K11 PolarHBondContact O-N 3.31Å; E9-K11 VanDerWaalsContact O-N 3.09Å; K11-K38 PolarHBondContact O-N 3.04Å; K11-N106 WeakPolarHBondContact CA-OD1 3.32Å; K11-N106 HydrophobicContact CB-CB 3.96Å; K11-N106 HydrophobicContact CD-CB 4.03Å; K11-N106 HydrophobicContact CG-CB 4Å; K11-V107 HydrophobicContact CD-CG2 4.33Å; K11-E146 VanDerWaalsContact CE-CD 3.42Å; K11-E146 WeakPolarHBondContact CE-OE1 3.46Å; K11-E146 WeakPolarHBondContact CE-OE2 3.15Å; K11-E146 IonicContact NZ-OE1 3.52Å; K11-E146 IonicContact NZ-OE2 2.63Å; K11-E146 PolarHBondContact NZ-OE2 3.5Å
12N98.8Very high96.6Very high9 Ų930.6 Ų30.65%0.04818%0.183CC..EExtended strand (participates in β ladder)trans-95.1130.3166.3-53.2-66.1000110K38 A39 Y41 C104 I105 N106 V107N12-K38 WeakPolarHBondContact OD1-CB 3.25Å; N12-K38 WeakPolarHBondContact OD1-CD 3.28Å; N12-K38 WeakPolarHBondContact OD1-CG 3.4Å; N12-A39 WeakPolarHBondContact CA-O 3.26Å; N12-Y41 HydrophobicContact CB-CD2 4.25Å; N12-Y41 HydrophobicContact CB-CE2 3.91Å; N12-C104 WeakPolarHBondContact CB-O 3.29Å; N12-C104 PolarHBondContact ND2-O 2.97Å; N12-I105 HydrophobicContact CB-CD1 4.01Å; N12-N106 PolarHBondContact N-OD1 3.31Å; N12-N106 PolarHBondContact O-N 3.23Å; N12-V107 PolarHBondContact O-N 3.1Å
13V98.8Very high96.7Very high0 Ų027.3 Ų27.30%016%0.164CC..EExtended strand (participates in β ladder)trans-116.9129-176.2-178.10000109.6Y8 I15 L30 A39 A40 Y41 V107 F109Y8-V13 HydrophobicContact CD1-CG2 4.34Å; V13-I15 HydrophobicContact CG1-CD1 4.44Å; V13-I15 HydrophobicContact CG1-CG1 3.99Å; V13-L30 HydrophobicContact CB-CD2 4.11Å; V13-L30 HydrophobicContact CG1-CD2 3.97Å; V13-L30 HydrophobicContact CG2-CD2 4.04Å; V13-A39 PolarHBondContact N-O 3.47Å; V13-A40 CarbonylContact O-C 3.36Å; V13-A40 WeakPolarHBondContact O-CA 3.35Å; V13-Y41 PolarHBondContact O-N 3.44Å; V13-V107 CarbonylContact C-O 3.38Å; V13-V107 WeakPolarHBondContact CA-O 3.5Å; V13-V107 HydrophobicContact CG1-CB 4.35Å; V13-V107 HydrophobicContact CG1-CG1 4.39Å; V13-V107 HydrophobicContact CG2-CB 4.21Å; V13-F109 HydrophobicContact CG1-CD2 3.4Å; V13-F109 VanDerWaalsContact CG1-CD2 3.4Å; V13-F109 HydrophobicContact CG1-CE2 3.47Å; V13-F109 VanDerWaalsContact CG1-CE2 3.47Å
14L98.8Very high96.6Very high0 Ų026.2 Ų26.20%015%0.154CC..EExtended strand (participates in β ladder)trans-100.7126.4172.4-179.462.5000110.3Y41 L43 L101 I105 V107 V108 F109 M135 M142L14-Y41 CarbonylContact C-O 3.54Å; L14-Y41 WeakPolarHBondContact CA-O 3.09Å; L14-L43 HydrophobicContact CD1-CD1 4.49Å; L14-L43 HydrophobicContact CD1-CD2 3.78Å; L14-L43 HydrophobicContact CD1-CG 3.83Å; L14-L101 HydrophobicContact CD1-CD2 3.92Å; L14-L101 HydrophobicContact CD2-CD1 4.45Å; L14-L101 HydrophobicContact CD2-CD2 4.47Å; L14-I105 HydrophobicContact CB-CD1 3.91Å; L14-I105 HydrophobicContact CB-CG1 4.17Å; L14-I105 HydrophobicContact CB-CG2 3.91Å; L14-V107 PolarHBondContact N-O 3.19Å; L14-V108 HydrophobicContact CB-CG2 4.23Å; L14-V108 HydrophobicContact CD2-CG2 4.32Å; L14-V108 CarbonylContact O-C 3.31Å; L14-V108 WeakPolarHBondContact O-CA 3.22Å; L14-F109 PolarHBondContact O-N 2.98Å; L14-M135 HydrophobicContact CD2-CE 3.92Å; L14-M142 HydrophobicContact CD2-CE 3.73Å
15I98.6Very high96.6Very high0 Ų026.3 Ų26.30%016%0.155CC..EExtended strand (participates in β ladder)trans-121.3118.8178.4-50.3-178.7000110V13 A18 L26 L27 L30 Y41 L43 F109V13-I15 HydrophobicContact CG1-CD1 4.44Å; V13-I15 HydrophobicContact CG1-CG1 3.99Å; I15-A18 HydrophobicContact CB-CB 4.21Å; I15-A18 HydrophobicContact CG2-CB 3.78Å; I15-L26 HydrophobicContact CD1-CD2 4.25Å; I15-L26 HydrophobicContact CD1-CG 4.28Å; I15-L26 HydrophobicContact CG2-CD2 4.08Å; I15-L27 HydrophobicContact CD1-CB 4.38Å; I15-L27 HydrophobicContact CD1-CD1 4.02Å; I15-L30 HydrophobicContact CD1-CD2 4.47Å; I15-Y41 PolarHBondContact N-O 2.77Å; I15-L43 PolarHBondContact O-N 2.96Å; I15-L43 VanDerWaalsContact O-N 3.15Å; I15-F109 HydrophobicContact CG1-CB 4.44Å; I15-F109 HydrophobicContact CG1-CD2 4.22Å; I15-F109 HydrophobicContact CG2-CB 4.49Å
16T97.6Very high96.7Very high0 Ų024.8 Ų24.80%015%0.145CC..EExtended strand (participates in β ladder)trans-88.9145.7166.681.10000110A18 L43 F109 H110 C111 A112 M135T16-A18 VanDerWaalsContact C-N 3.26Å; T16-A18 PolarHBondContact O-N 3.13Å; T16-L43 HydrophobicContact CG2-CD1 3.84Å; T16-L43 HydrophobicContact CG2-CG 4.38Å; T16-F109 PolarHBondContact N-O 3.47Å; T16-H110 WeakPolarHBondContact CG2-ND1 3.31Å; T16-H110 WeakPolarHBondContact OG1-CA 3.24Å; T16-H110 PolarHBondContact OG1-ND1 3.33Å; T16-C111 WeakPolarHBondContact O-CB 3.46Å; T16-C111 PolarHBondContact O-N 2.89Å; T16-C111 PolarHBondContact OG1-N 3.44Å; T16-C111 VanDerWaalsContact OG1-N 3.08Å; T16-A112 VanDerWaalsContact OG1-CB 3.27Å; T16-A112 WeakPolarHBondContact OG1-CB 3.07Å; T16-A112 PolarHBondContact OG1-N 3.46Å; T16-M135 HydrophobicContact CG2-CE 3.82Å; T16-M135 HydrophobicContact CG2-SD 3.94Å
17G94.3Very high96.7Very high22 Ų2219.3 Ų19.323%0.22712%0.12CC..THydrogen-bonded Turntrans7019.9178.200000114.4T19 G20G17-T19 PolarHBondContact O-N 3.3Å; G17-T19 VanDerWaalsContact O-N 3.15Å; G17-G20 PolarHBondContact O-N 3.49Å
18A93.9Very high96.7Very high0 Ų018.9 Ų18.90%012%0.118CC..THydrogen-bonded Turntrans-61.1-24.5-178.600000113.5I15 T16 G20 G23 K24 V42I15-A18 HydrophobicContact CB-CB 4.21Å; I15-A18 HydrophobicContact CG2-CB 3.78Å; T16-A18 VanDerWaalsContact C-N 3.26Å; T16-A18 PolarHBondContact O-N 3.13Å; A18-G20 VanDerWaalsContact C-N 3.25Å; A18-G20 PolarHBondContact O-N 3.49Å; A18-G23 CarbonylContact O-C 3.41Å; A18-K24 WeakPolarHBondContact O-CA 3.21Å; A18-K24 VanDerWaalsContact O-CG 3.26Å; A18-K24 WeakPolarHBondContact O-CG 2.86Å; A18-K24 PolarHBondContact O-N 2.8Å; A18-V42 HydrophobicContact CB-CB 4.27Å; A18-V42 HydrophobicContact CB-CG1 3.31Å; A18-V42 HydrophobicContact CB-CG2 3.99Å
19T91.4Very high96.7Very high40 Ų4019 Ų1925%0.24512%0.119CC..THydrogen-bonded Turntrans-78.9-6.4175.458.50000113.8G17 K24 V44 M59G17-T19 PolarHBondContact O-N 3.3Å; G17-T19 VanDerWaalsContact O-N 3.15Å; T19-K24 WeakPolarHBondContact O-CE 3.41Å; T19-V44 HydrophobicContact CG2-CG1 4.32Å; T19-V44 HydrophobicContact CG2-CG2 4.38Å; T19-M59 HydrophobicContact CG2-SD 4.01Å
20G92.5Very high96.7Very high34 Ų3413.3 Ų13.335%0.3519%0.092SC..SBendtrans-85.2168.7173.600000112.6G17 A18 M22 G23 K24G17-G20 PolarHBondContact O-N 3.49Å; A18-G20 VanDerWaalsContact C-N 3.25Å; A18-G20 PolarHBondContact O-N 3.49Å; G20-M22 PolarHBondContact O-N 2.77Å; G20-G23 PolarHBondContact O-N 3.14Å; G20-G23 VanDerWaalsContact O-N 3.13Å; G20-K24 WeakPolarHBondContact O-CG 3.34Å; G20-K24 PolarHBondContact O-N 2.84Å
21F93.5Very high96.6Very high33 Ų3311.3 Ų11.315%0.1457%0.071CC..Hα-helixtrans-50-59.1-174.1175.8-127.6000113.9V232 G233 W243 I244 D245 N246 V278F21-V232 HydrophobicContact CD1-CG1 4.45Å; F21-V232 HydrophobicContact CE1-CG1 3.86Å; F21-G233 WeakPolarHBondContact CZ-O 3.44Å; F21-W243 HydrophobicContact CD2-CE3 4.47Å; F21-W243 AromaticContact CD2-CH2 3.91Å; F21-W243 HydrophobicContact CD2-CH2 3.91Å; F21-W243 AromaticContact CD2-CZ3 3.54Å; F21-W243 HydrophobicContact CD2-CZ3 3.54Å; F21-W243 AromaticContact CE2-CE3 3.77Å; F21-W243 HydrophobicContact CE2-CE3 3.77Å; F21-W243 HydrophobicContact CE2-CH2 4.04Å; F21-W243 AromaticContact CE2-CZ3 3.24Å; F21-W243 HydrophobicContact CE2-CZ3 3.24Å; F21-W243 HydrophobicContact CZ-CZ3 4.37Å; F21-I244 HydrophobicContact CD2-CD1 4.14Å; F21-I244 HydrophobicContact CE1-CD1 3.9Å; F21-I244 HydrophobicContact CE2-CD1 3.47Å; F21-I244 VanDerWaalsContact CE2-CD1 3.47Å; F21-I244 HydrophobicContact CZ-CD1 3.34Å; F21-D245 WeakPolarHBondContact CD2-OD1 3.3Å; F21-N246 WeakPolarHBondContact CB-ND2 3.42Å; F21-N246 WeakPolarHBondContact CD2-ND2 3.27Å; F21-N246 WeakPolarHBondContact CG-ND2 3.49Å; F21-V278 HydrophobicContact CD1-CG2 4.31Å; F21-V278 HydrophobicContact CE1-CB 3.8Å; F21-V278 HydrophobicContact CE1-CG1 4.34Å; F21-V278 HydrophobicContact CE1-CG2 3.84Å; F21-V278 HydrophobicContact CE2-CG1 4.3Å; F21-V278 HydrophobicContact CZ-CB 3.69Å; F21-V278 HydrophobicContact CZ-CG1 3.71Å; F21-V278 HydrophobicContact CZ-CG2 3.94Å
22M95.1Very high96.6Very high35 Ų3510.6 Ų10.617%0.1727%0.068CC..Hα-helixtrans-64.8-40.4177.6-70.2178.560.200112.3G20 K24 V25 L26 V151 P229 V232 V278 V281 I282G20-M22 PolarHBondContact O-N 2.77Å; M22-K24 VanDerWaalsContact C-N 3.31Å; M22-K24 PolarHBondContact O-N 3.28Å; M22-V25 PolarHBondContact O-N 3.15Å; M22-L26 WeakPolarHBondContact O-CB 3.36Å; M22-L26 PolarHBondContact O-N 3.45Å; M22-V151 HydrophobicContact CE-CG1 3.94Å; M22-P229 HydrophobicContact CE-CG 4.39Å; M22-V232 HydrophobicContact CG-CG1 4.37Å; M22-V232 HydrophobicContact SD-CG2 4.01Å; M22-V278 HydrophobicContact CG-CG2 4.08Å; M22-V281 HydrophobicContact CE-CB 4.31Å; M22-V281 HydrophobicContact CE-CG1 3.37Å; M22-I282 HydrophobicContact CB-CD1 4.27Å; M22-I282 HydrophobicContact CE-CD1 4.27Å
23G95.8Very high96.5Very high2 Ų210.7 Ų10.72%0.0217%0.069CC..Hα-helixtrans-61-37.9-177.500000113.3A18 G20 L26 L27A18-G23 CarbonylContact O-C 3.41Å; G20-G23 PolarHBondContact O-N 3.14Å; G20-G23 VanDerWaalsContact O-N 3.13Å; G23-L26 PolarHBondContact O-N 3.13Å; G23-L27 WeakPolarHBondContact O-CB 3.1Å; G23-L27 PolarHBondContact O-N 3.48Å
24K95.5Very high96.5Very high28 Ų2810.7 Ų10.712%0.1227%0.069CC..Hα-helixtrans-66.3-43.9176.6-66.3-179.4-169.6173.10111.3A18 T19 G20 M22 L26 L27 E28 M59 L64 F65 D245A18-K24 WeakPolarHBondContact O-CA 3.21Å; A18-K24 VanDerWaalsContact O-CG 3.26Å; A18-K24 WeakPolarHBondContact O-CG 2.86Å; A18-K24 PolarHBondContact O-N 2.8Å; T19-K24 WeakPolarHBondContact O-CE 3.41Å; G20-K24 WeakPolarHBondContact O-CG 3.34Å; G20-K24 PolarHBondContact O-N 2.84Å; M22-K24 VanDerWaalsContact C-N 3.31Å; M22-K24 PolarHBondContact O-N 3.28Å; K24-L26 VanDerWaalsContact C-N 3.32Å; K24-L27 PolarHBondContact O-N 3.33Å; K24-E28 WeakPolarHBondContact O-CB 3.38Å; K24-E28 PolarHBondContact O-N 3.01Å; K24-M59 HydrophobicContact CD-CG 4.06Å; K24-M59 HydrophobicContact CG-CG 3.88Å; K24-M59 HydrophobicContact CG-SD 3.78Å; K24-L64 HydrophobicContact CB-CD2 3.41Å; K24-L64 VanDerWaalsContact CB-CD2 3.41Å; K24-F65 HydrophobicContact CB-CE2 4.43Å; K24-D245 IonicContact NZ-OD2 3.62Å; K24-D245 PolarHBondContact NZ-OD2 3.28Å
25V97.5Very high96.4Very high3 Ų312.7 Ų12.72%0.0188%0.082CC..Hα-helixtrans-65.6-39.3178.2-176.60000110.4M22 K29 L64 W243 V278 I282M22-V25 PolarHBondContact O-N 3.15Å; V25-K29 WeakPolarHBondContact O-CB 3.35Å; V25-K29 PolarHBondContact O-N 3.41Å; V25-L64 HydrophobicContact CG2-CD1 4.02Å; V25-L64 HydrophobicContact CG2-CD2 4.42Å; V25-W243 HydrophobicContact CG2-CE3 3.9Å; V25-W243 HydrophobicContact CG2-CH2 4.08Å; V25-W243 HydrophobicContact CG2-CZ3 3.28Å; V25-V278 HydrophobicContact CB-CG2 4.11Å; V25-V278 HydrophobicContact CG1-CG1 4.45Å; V25-V278 HydrophobicContact CG1-CG2 4.33Å; V25-V278 HydrophobicContact CG2-CG1 4.07Å; V25-V278 HydrophobicContact CG2-CG2 3.85Å; V25-I282 HydrophobicContact CB-CG1 3.88Å; V25-I282 HydrophobicContact CG1-CB 4.23Å; V25-I282 HydrophobicContact CG1-CG1 3.68Å; V25-I282 HydrophobicContact CG1-CG2 4.47Å
26L98.4Very high96.3Very high0 Ų013.6 Ų13.60%09%0.091CC..Hα-helixtrans-59.4-49.8174.3-179.861.5000111.6I15 M22 G23 K24 K29 L30 F109 I282 T285 L286I15-L26 HydrophobicContact CD1-CD2 4.25Å; I15-L26 HydrophobicContact CD1-CG 4.28Å; I15-L26 HydrophobicContact CG2-CD2 4.08Å; M22-L26 WeakPolarHBondContact O-CB 3.36Å; M22-L26 PolarHBondContact O-N 3.45Å; G23-L26 PolarHBondContact O-N 3.13Å; K24-L26 VanDerWaalsContact C-N 3.32Å; L26-K29 PolarHBondContact O-N 3.48Å; L26-L30 VanDerWaalsContact O-CB 3.22Å; L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 PolarHBondContact O-N 2.67Å; L26-F109 HydrophobicContact CD2-CB 3.76Å; L26-F109 HydrophobicContact CD2-CD1 4.24Å; L26-F109 HydrophobicContact CD2-CD2 4.15Å; L26-F109 HydrophobicContact CD2-CG 3.81Å; L26-I282 HydrophobicContact CB-CD1 3.84Å; L26-I282 HydrophobicContact CB-CG1 4.36Å; L26-I282 HydrophobicContact CB-CG2 4.31Å; L26-I282 HydrophobicContact CD1-CD1 4.48Å; L26-I282 HydrophobicContact CD1-CG2 3.93Å; L26-T285 HydrophobicContact CD1-CG2 4.36Å; L26-L286 HydrophobicContact CD1-CD1 4.44Å; L26-L286 HydrophobicContact CD1-CD2 3.6Å; L26-L286 HydrophobicContact CD1-CG 3.86Å
27L98.1Very high96.4Very high0 Ų013.7 Ų13.70%09%0.091CC..Hα-helixtrans-63.9-46.6-179.7-176.964.1000111.7I15 G23 K24 L30 L31 A40 V42 M59 F65 I79I15-L27 HydrophobicContact CD1-CB 4.38Å; I15-L27 HydrophobicContact CD1-CD1 4.02Å; G23-L27 WeakPolarHBondContact O-CB 3.1Å; G23-L27 PolarHBondContact O-N 3.48Å; K24-L27 PolarHBondContact O-N 3.33Å; L27-L30 PolarHBondContact O-N 2.63Å; L27-L31 HydrophobicContact CD1-CD1 3.68Å; L27-L31 HydrophobicContact CD1-CG 4.21Å; L27-L31 HydrophobicContact CG-CD1 3.77Å; L27-L31 WeakPolarHBondContact O-CB 3.25Å; L27-L31 VanDerWaalsContact O-CG 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.44Å; L27-L31 PolarHBondContact O-N 3.37Å; L27-A40 HydrophobicContact CD1-CB 3.7Å; L27-V42 HydrophobicContact CD1-CG2 4.29Å; L27-V42 HydrophobicContact CD2-CG2 4.18Å; L27-M59 HydrophobicContact CD2-CE 3.44Å; L27-M59 VanDerWaalsContact CD2-CE 3.44Å; L27-F65 HydrophobicContact CD2-CE1 4.39Å; L27-F65 HydrophobicContact CD2-CZ 4.34Å; L27-F65 HydrophobicContact CG-CE1 4.41Å; L27-I79 HydrophobicContact CD2-CD1 4.21Å
28E97.9Very high96.6Very high0 Ų019.5 Ų19.50%011%0.11CC..Hα-helixtrans-58.5-50.3176-174.1-79.9155.900111.3K24 L30 L31 R32 L64 F65 V68K24-E28 WeakPolarHBondContact O-CB 3.38Å; K24-E28 PolarHBondContact O-N 3.01Å; E28-L30 PolarHBondContact O-N 3.3Å; E28-L31 PolarHBondContact O-N 3.06Å; E28-R32 VanDerWaalsContact O-CB 3.29Å; E28-R32 WeakPolarHBondContact O-CB 3.43Å; E28-R32 PolarHBondContact O-N 3.32Å; E28-R32 WeakPolarHBondContact OE1-CD 3.38Å; E28-R32 IonicContact OE1-CZ 3.88Å; E28-R32 IonicContact OE1-NE 2.8Å; E28-R32 PolarHBondContact OE1-NE 2.8Å; E28-R32 IonicContact OE1-NH2 3.63Å; E28-R32 IonicContact OE2-NE 3.72Å; E28-R32 IonicContact OE2-NH2 2.7Å; E28-R32 PolarHBondContact OE2-NH2 3.09Å; E28-L64 HydrophobicContact CB-CD2 4.29Å; E28-L64 HydrophobicContact CB-CG 4.3Å; E28-L64 HydrophobicContact CG-CG 4.29Å; E28-F65 HydrophobicContact CB-CD1 4.15Å; E28-F65 HydrophobicContact CB-CE1 3.95Å; E28-F65 HydrophobicContact CB-CZ 4.4Å; E28-F65 HydrophobicContact CG-CD1 4.26Å; E28-V68 HydrophobicContact CG-CB 4.32Å; E28-V68 HydrophobicContact CG-CG1 4.03Å
29K98.2Very high96.8Very high3 Ų320 Ų201%0.01311%0.114CC..Hα-helixtrans-62.9-43.5-177.4179.862.1-177.5170.90111.5V25 L26 S33 E238 I282 N283 L286 M423V25-K29 WeakPolarHBondContact O-CB 3.35Å; V25-K29 PolarHBondContact O-N 3.41Å; L26-K29 PolarHBondContact O-N 3.48Å; K29-S33 WeakPolarHBondContact CD-OG 3.46Å; K29-S33 VanDerWaalsContact CE-OG 3.25Å; K29-S33 WeakPolarHBondContact CE-OG 3.31Å; K29-S33 PolarHBondContact NZ-OG 3.48Å; K29-S33 VanDerWaalsContact O-CB 3.23Å; K29-S33 WeakPolarHBondContact O-CB 3.45Å; K29-S33 PolarHBondContact O-N 3.14Å; K29-S33 PolarHBondContact O-OG 3.2Å; K29-E238 WeakPolarHBondContact CD-OE2 3.43Å; K29-E238 WeakPolarHBondContact CE-OE2 3.32Å; K29-E238 IonicContact NZ-OE1 3.72Å; K29-E238 IonicContact NZ-OE2 2.76Å; K29-E238 PolarHBondContact NZ-OE2 3.08Å; K29-I282 HydrophobicContact CB-CG2 3.8Å; K29-I282 HydrophobicContact CG-CG2 3.95Å; K29-N283 WeakPolarHBondContact CE-OD1 3.25Å; K29-L286 HydrophobicContact CB-CD1 4.28Å; K29-L286 HydrophobicContact CG-CD1 3.6Å; K29-M423 PolarHBondContact NZ-O 3.05Å
30L98.3Very high97.1Very high0 Ų018 Ų180%010%0.102CC..Hα-helixtrans-62.5-49.6177.9-178.570.1000110.9Y8 V13 I15 L26 L27 E28 R32 C34 I37 L286Y8-L30 HydrophobicContact CD1-CD1 3.97Å; Y8-L30 HydrophobicContact CD2-CD1 4.38Å; Y8-L30 HydrophobicContact CE1-CD1 4.19Å; Y8-L30 HydrophobicContact CG-CD1 4.09Å; V13-L30 HydrophobicContact CB-CD2 4.11Å; V13-L30 HydrophobicContact CG1-CD2 3.97Å; V13-L30 HydrophobicContact CG2-CD2 4.04Å; I15-L30 HydrophobicContact CD1-CD2 4.47Å; L26-L30 VanDerWaalsContact O-CB 3.22Å; L26-L30 WeakPolarHBondContact O-CB 3.41Å; L26-L30 PolarHBondContact O-N 2.67Å; L27-L30 PolarHBondContact O-N 2.63Å; E28-L30 PolarHBondContact O-N 3.3Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-R32 PolarHBondContact O-N 3.12Å; L30-C34 HydrophobicContact CD1-CB 3.98Å; L30-C34 CarbonylContact O-C 3.57Å; L30-C34 VanDerWaalsContact O-CA 3.3Å; L30-C34 WeakPolarHBondContact O-CA 3.33Å; L30-C34 VanDerWaalsContact O-CB 3.29Å; L30-C34 WeakPolarHBondContact O-CB 3.45Å; L30-C34 PolarHBondContact O-N 2.63Å; L30-I37 HydrophobicContact CD1-CG2 4.14Å; L30-I37 HydrophobicContact CD2-CD1 3.93Å; L30-I37 HydrophobicContact CG-CD1 4.1Å; L30-I37 HydrophobicContact CG-CG2 4.29Å; L30-L286 HydrophobicContact CB-CD2 4.46Å; L30-L286 HydrophobicContact CD1-CD2 3.89Å
31L98Very high97.4Very high3 Ų318 Ų182%0.0169%0.092CC..Hα-helixtrans-66.8-33.6-178.4-71.4168.3000112.9L27 E28 I37 V68 F75 K78 I79L27-L31 HydrophobicContact CD1-CD1 3.68Å; L27-L31 HydrophobicContact CD1-CG 4.21Å; L27-L31 HydrophobicContact CG-CD1 3.77Å; L27-L31 WeakPolarHBondContact O-CB 3.25Å; L27-L31 VanDerWaalsContact O-CG 3.3Å; L27-L31 WeakPolarHBondContact O-CG 3.44Å; L27-L31 PolarHBondContact O-N 3.37Å; E28-L31 PolarHBondContact O-N 3.06Å; L31-I37 HydrophobicContact CD2-CD1 3.65Å; L31-I37 HydrophobicContact CD2-CG1 4.27Å; L31-V68 HydrophobicContact CB-CG2 3.99Å; L31-F75 HydrophobicContact CB-CB 4.33Å; L31-F75 HydrophobicContact CD1-CD2 3.85Å; L31-K78 HydrophobicContact CD2-CB 4.01Å; L31-K78 HydrophobicContact CD2-CD 4.44Å; L31-I79 HydrophobicContact CD1-CD1 3.74Å; L31-I79 HydrophobicContact CD1-CG1 3.76Å
32R97.6Very high97.6Very high11 Ų1116.4 Ų16.44%0.0429%0.085CC..Hα-helixtrans-77.2-46.7177.8-176171.849.582.20.8113.2E28 L30 R67 V68 E71 E238E28-R32 VanDerWaalsContact O-CB 3.29Å; E28-R32 WeakPolarHBondContact O-CB 3.43Å; E28-R32 PolarHBondContact O-N 3.32Å; E28-R32 WeakPolarHBondContact OE1-CD 3.38Å; E28-R32 IonicContact OE1-CZ 3.88Å; E28-R32 IonicContact OE1-NE 2.8Å; E28-R32 PolarHBondContact OE1-NE 2.8Å; E28-R32 IonicContact OE1-NH2 3.63Å; E28-R32 IonicContact OE2-NE 3.72Å; E28-R32 IonicContact OE2-NH2 2.7Å; E28-R32 PolarHBondContact OE2-NH2 3.09Å; L30-R32 VanDerWaalsContact C-N 3.33Å; L30-R32 PolarHBondContact O-N 3.12Å; R32-R67 VanDerWaalsContact NH1-CZ 3.3Å; R32-V68 HydrophobicContact CB-CB 3.95Å; R32-V68 HydrophobicContact CB-CG2 3.81Å; R32-V68 HydrophobicContact CG-CB 4.48Å; R32-E71 VanDerWaalsContact CD-OE2 3.25Å; R32-E71 WeakPolarHBondContact CD-OE2 3.49Å; R32-E71 HydrophobicContact CG-CB 4.49Å; R32-E71 WeakPolarHBondContact CG-OE2 3.42Å; R32-E238 IonicContact CZ-OE1 3.14Å; R32-E238 IonicContact CZ-OE2 3.79Å; R32-E238 IonicContact NH1-OE1 3.8Å; R32-E238 PolarHBondContact NH1-OE1 2.98Å; R32-E238 IonicContact NH1-OE2 3.41Å; R32-E238 VanDerWaalsContact NH2-CD 3.27Å; R32-E238 IonicContact NH2-OE1 2.87Å; R32-E238 PolarHBondContact NH2-OE1 3.46Å; R32-E238 IonicContact NH2-OE2 2.8Å; R32-E238 PolarHBondContact NH2-OE2 3.33Å
33S97.6Very high97.6Very high10 Ų1015.1 Ų15.17%0.078%0.079CC..Hα-helixtrans-95.6-18.2-169.8-530000113.4K29 P35K29-S33 WeakPolarHBondContact CD-OG 3.46Å; K29-S33 VanDerWaalsContact CE-OG 3.25Å; K29-S33 WeakPolarHBondContact CE-OG 3.31Å; K29-S33 PolarHBondContact NZ-OG 3.48Å; K29-S33 VanDerWaalsContact O-CB 3.23Å; K29-S33 WeakPolarHBondContact O-CB 3.45Å; K29-S33 PolarHBondContact O-N 3.14Å; K29-S33 PolarHBondContact O-OG 3.2Å; S33-P35 VanDerWaalsContact C-CD 3.4Å
34C97.9Very high97.3Very high1 Ų115 Ų151%0.0078%0.078CC..  trans-125.161.6173.9-540000109.6Y8 L30 G36 I37Y8-C34 HydrophobicContact CD2-CB 4.39Å; Y8-C34 VanDerWaalsContact CD2-SG 3.58Å; Y8-C34 HydrophobicContact CG-CB 4.33Å; L30-C34 HydrophobicContact CD1-CB 3.98Å; L30-C34 CarbonylContact O-C 3.57Å; L30-C34 VanDerWaalsContact O-CA 3.3Å; L30-C34 WeakPolarHBondContact O-CA 3.33Å; L30-C34 VanDerWaalsContact O-CB 3.29Å; L30-C34 WeakPolarHBondContact O-CB 3.45Å; L30-C34 PolarHBondContact O-N 2.63Å; C34-G36 PolarHBondContact O-N 2.93Å; C34-I37 HydrophobicContact CB-CG2 4.11Å; C34-I37 WeakPolarHBondContact O-CG2 3.33Å; C34-I37 PolarHBondContact O-N 2.8Å
35P96.4Very high96.9Very high42 Ų4220 Ų2027%0.27310%0.096SC..THydrogen-bonded Turntrans-62.5-20-175.427.7-35.9000112.5S33 I37 Q72 K78S33-P35 VanDerWaalsContact C-CD 3.4Å; P35-I37 PolarHBondContact O-N 3.26Å; P35-Q72 HydrophobicContact CB-CG 4.2Å; P35-K78 PolarHBondContact O-NZ 3.33Å
36G97.6Very high95.9Very high18 Ų1825.4 Ų25.419%0.18612%0.12CC..THydrogen-bonded Turntrans-68.4-4.7176.500000116.6E9 G10 C34E9-G36 WeakPolarHBondContact OE1-CA 3.43Å; E9-G36 VanDerWaalsContact OE2-CA 3.25Å; E9-G36 WeakPolarHBondContact OE2-CA 3.41Å; G10-G36 PolarHBondContact N-O 3.45Å; C34-G36 PolarHBondContact O-N 2.93Å
37I98.3Very high94.5Very high3 Ų331.7 Ų31.72%0.01515%0.148CC..  trans-58.8145176.271.2170.9000110.8L30 L31 C34 P35 A40 K78L30-I37 HydrophobicContact CD1-CG2 4.14Å; L30-I37 HydrophobicContact CD2-CD1 3.93Å; L30-I37 HydrophobicContact CG-CD1 4.1Å; L30-I37 HydrophobicContact CG-CG2 4.29Å; L31-I37 HydrophobicContact CD2-CD1 3.65Å; L31-I37 HydrophobicContact CD2-CG1 4.27Å; C34-I37 HydrophobicContact CB-CG2 4.11Å; C34-I37 WeakPolarHBondContact O-CG2 3.33Å; C34-I37 PolarHBondContact O-N 2.8Å; P35-I37 PolarHBondContact O-N 3.26Å; I37-A40 HydrophobicContact CD1-CB 4.01Å; I37-K78 HydrophobicContact CG1-CD 4.34Å
38K98.3Very high92.6Very high144 Ų14436 Ų3663%0.62618%0.184SC*.SBendtrans-74.1-51.3177.4-179.7174.7177.5179.80111.1G10 K11 N12G10-K38 WeakPolarHBondContact O-CB 3.27Å; K11-K38 PolarHBondContact O-N 3.04Å; N12-K38 WeakPolarHBondContact OD1-CB 3.25Å; N12-K38 WeakPolarHBondContact OD1-CD 3.28Å; N12-K38 WeakPolarHBondContact OD1-CG 3.4Å
39A98.4Very high90.7Very high9 Ų939.8 Ų39.87%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-156.8148.417800000112.1N12 V13 Y41 K78 V80N12-A39 WeakPolarHBondContact CA-O 3.26Å; V13-A39 PolarHBondContact N-O 3.47Å; A39-Y41 HydrophobicContact CB-CD2 4.19Å; A39-Y41 HydrophobicContact CB-CE2 3.72Å; A39-K78 CarbonylContact C-O 3.54Å; A39-K78 WeakPolarHBondContact CA-O 3.23Å; A39-V80 HydrophobicContact CB-CG2 4.24Å
40A98.5Very high89.1Confident0 Ų043.5 Ų43.50%024%0.24CC..EExtended strand (participates in β ladder)trans-109.2102.6169.500000109.4V13 L27 I37 K78 I79 V80V13-A40 CarbonylContact O-C 3.36Å; V13-A40 WeakPolarHBondContact O-CA 3.35Å; L27-A40 HydrophobicContact CD1-CB 3.7Å; I37-A40 HydrophobicContact CD1-CB 4.01Å; A40-K78 PolarHBondContact N-O 3.2Å; A40-I79 WeakPolarHBondContact O-CA 3.38Å; A40-V80 PolarHBondContact O-N 2.79Å
41Y98.3Very high88Confident32 Ų3246 Ų4613%0.12526%0.26CS..EExtended strand (participates in β ladder)trans-78.6125.5172.8-68-101.2000109.4N12 V13 L14 I15 A39 V80 V82 T100 L101 I105N12-Y41 HydrophobicContact CB-CD2 4.25Å; N12-Y41 HydrophobicContact CB-CE2 3.91Å; V13-Y41 PolarHBondContact O-N 3.44Å; L14-Y41 CarbonylContact C-O 3.54Å; L14-Y41 WeakPolarHBondContact CA-O 3.09Å; I15-Y41 PolarHBondContact N-O 2.77Å; A39-Y41 HydrophobicContact CB-CD2 4.19Å; A39-Y41 HydrophobicContact CB-CE2 3.72Å; Y41-V80 CarbonylContact C-O 3.54Å; Y41-V80 WeakPolarHBondContact CA-O 3.49Å; Y41-V80 HydrophobicContact CD1-CB 3.84Å; Y41-V80 HydrophobicContact CD1-CG1 3.76Å; Y41-V80 HydrophobicContact CE1-CB 4.01Å; Y41-V80 HydrophobicContact CE1-CG1 3.74Å; Y41-V80 HydrophobicContact CE1-CG2 4.33Å; Y41-V80 HydrophobicContact CG-CB 4.23Å; Y41-V82 HydrophobicContact CD1-CG2 3.95Å; Y41-T100 HydrophobicContact CE1-CG2 4.17Å; Y41-L101 HydrophobicContact CD1-CD2 3.73Å; Y41-L101 HydrophobicContact CE1-CD2 4.4Å; Y41-L101 HydrophobicContact CG-CD2 3.96Å; Y41-I105 HydrophobicContact CD2-CD1 3.46Å; Y41-I105 VanDerWaalsContact CD2-CD1 3.46Å; Y41-I105 HydrophobicContact CE2-CD1 4.01Å; Y41-I105 HydrophobicContact CG-CD1 3.87Å
42V97.3Very high87Confident0 Ų046.6 Ų46.60%026%0.264CS..EExtended strand (participates in β ladder)trans-121.9118.1-175.8174.90000109.7A18 L27 V44 I56 I79 V80 V82A18-V42 HydrophobicContact CB-CB 4.27Å; A18-V42 HydrophobicContact CB-CG1 3.31Å; A18-V42 HydrophobicContact CB-CG2 3.99Å; L27-V42 HydrophobicContact CD1-CG2 4.29Å; L27-V42 HydrophobicContact CD2-CG2 4.18Å; V42-V44 HydrophobicContact CG1-CG2 3.71Å; V42-V44 PolarHBondContact O-N 3.35Å; V42-I56 HydrophobicContact CB-CD1 4.24Å; V42-I56 HydrophobicContact CG1-CD1 3.81Å; V42-I79 HydrophobicContact CG2-CG2 4.12Å; V42-V80 PolarHBondContact N-O 2.88Å; V42-V82 PolarHBondContact O-N 2.94Å
43L95.1Very high86.3Confident8 Ų851.7 Ų51.74%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-76.7117.3174.4-61.1-165000110.2L14 I15 T16 V82 L86 L93 L101 M135L14-L43 HydrophobicContact CD1-CD1 4.49Å; L14-L43 HydrophobicContact CD1-CD2 3.78Å; L14-L43 HydrophobicContact CD1-CG 3.83Å; I15-L43 PolarHBondContact O-N 2.96Å; I15-L43 VanDerWaalsContact O-N 3.15Å; T16-L43 HydrophobicContact CG2-CD1 3.84Å; T16-L43 HydrophobicContact CG2-CG 4.38Å; L43-V82 WeakPolarHBondContact CA-O 3.33Å; L43-V82 HydrophobicContact CD2-CB 3.75Å; L43-V82 HydrophobicContact CD2-CG1 3.86Å; L43-L86 HydrophobicContact CD1-CD2 3.83Å; L43-L93 HydrophobicContact CD2-CD2 4.16Å; L43-L101 HydrophobicContact CD2-CD1 4.39Å; L43-M135 HydrophobicContact CD1-SD 4.1Å
44V91.1Very high85.7Confident1 Ų153 Ų531%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-124.8127.7-178.2-170.70000110.2T19 V42 P52 R55 I56 V82 N83 S84T19-V44 HydrophobicContact CG2-CG1 4.32Å; T19-V44 HydrophobicContact CG2-CG2 4.38Å; V42-V44 HydrophobicContact CG1-CG2 3.71Å; V42-V44 PolarHBondContact O-N 3.35Å; V44-P52 HydrophobicContact CB-CB 4.33Å; V44-R55 HydrophobicContact CG1-CB 4.02Å; V44-R55 HydrophobicContact CG1-CG 4.46Å; V44-I56 HydrophobicContact CG2-CD1 3.68Å; V44-I56 HydrophobicContact CG2-CG1 4.12Å; V44-V82 PolarHBondContact N-O 3.27Å; V44-N83 WeakPolarHBondContact O-CA 3.33Å; V44-S84 CarbonylContact C-O 3.53Å; V44-S84 PolarHBondContact O-N 3.04Å
45R86.3Confident85Confident133 Ų13356 Ų5650%0.50231%0.311SS..  trans-66.9132.3170.9-70.7-171.4-68.7172.2-1.6111.5R55 S84 D85R45-R55 PolarHBondContact O-NH1 3.49Å; R45-S84 WeakPolarHBondContact CA-O 3.41Å; R45-S84 VanDerWaalsContact CG-O 3.23Å; R45-S84 WeakPolarHBondContact CG-O 3.42Å; R45-S84 PolarHBondContact N-O 2.72Å; R45-D85 VanDerWaalsContact CD-OD2 3.26Å; R45-D85 WeakPolarHBondContact CD-OD2 3.45Å; R45-D85 HydrophobicContact CG-CB 4.08Å
46H76.3Confident84.6Confident115 Ų11554.7 Ų54.753%0.53230%0.301SS..  trans-56.2140.2164.3-170.5-95.7000110.6N83H46-N83 WeakPolarHBondContact CB-OD1 3.11Å; H46-N83 PolarHBondContact N-OD1 3.11Å
47K69.4Low84.2Confident132 Ų13255.7 Ų55.757%0.57431%0.308SS*.BIsolated β-bridgetrans-130.7134.2171-172.1-178.7178-170.30107.1G49 H50K47-G49 PolarHBondContact O-N 3.36Å; K47-H50 PolarHBondContact O-N 3.48Å
48A57.5Low83.7Confident92 Ų9260 Ų6076%0.7633%0.331SS*.THydrogen-bonded Turntrans-46.4119.2179.500000110.9
49G58.7Low83.4Confident78 Ų7853.5 Ų53.580%0.80430%0.303SS*.THydrogen-bonded Turntrans85.22.5-179.400000117.1K47K47-G49 PolarHBondContact O-N 3.36Å
50H63.6Low83.1Confident82 Ų8254.3 Ų54.338%0.3831%0.306SS..BIsolated β-bridgetrans-133.4111.4176.8-63.565.3000110.8K47 R55K47-H50 PolarHBondContact O-N 3.48Å; H50-R55 HydrophobicContact CB-CG 4.07Å
51A75.9Confident82.8Confident51 Ų5159.9 Ų59.942%0.42134%0.336SS..  trans-59.8151.4170.300000110.9Q53 A54 R55A51-Q53 PolarHBondContact O-N 3.48Å; A51-A54 WeakPolarHBondContact O-CB 3.43Å; A51-A54 PolarHBondContact O-N 3.05Å; A51-R55 PolarHBondContact O-N 2.99Å
52P78.3Confident82.4Confident16 Ų1660.5 Ų60.510%0.10434%0.344CS..Hα-helixtrans-49.5-42176.9-29.436000113.6V44 A54 R55 I56 A81 N83V44-P52 HydrophobicContact CB-CB 4.33Å; P52-A54 PolarHBondContact O-N 3.38Å; P52-R55 WeakPolarHBondContact O-CB 3.44Å; P52-R55 PolarHBondContact O-N 2.84Å; P52-I56 PolarHBondContact O-N 3.28Å; P52-I56 VanDerWaalsContact O-N 3.14Å; P52-A81 HydrophobicContact CB-CB 4.19Å; P52-N83 HydrophobicContact CG-CB 4.02Å
53Q82.4Confident82.1Confident119 Ų11966.2 Ų66.256%0.55637%0.369SS*.Hα-helixtrans-63.4-39.1178.5-69.476.44.400112.1A51 R55 I56 A57 A81A51-Q53 PolarHBondContact O-N 3.48Å; Q53-R55 VanDerWaalsContact C-N 3.32Å; Q53-R55 PolarHBondContact O-N 3.15Å; Q53-I56 PolarHBondContact O-N 3.31Å; Q53-A57 PolarHBondContact O-N 2.71Å; Q53-A81 HydrophobicContact CG-CB 4.35Å
54A83.9Confident82.1Confident38 Ų3865.9 Ų65.931%0.31437%0.367SS..Hα-helixtrans-63.7-39.4176.400000111.3A51 P52 I56 A57 D58A51-A54 WeakPolarHBondContact O-CB 3.43Å; A51-A54 PolarHBondContact O-N 3.05Å; P52-A54 PolarHBondContact O-N 3.38Å; A54-I56 VanDerWaalsContact C-N 3.32Å; A54-I56 PolarHBondContact O-N 2.89Å; A54-A57 WeakPolarHBondContact O-CB 3.38Å; A54-A57 PolarHBondContact O-N 3Å; A54-D58 PolarHBondContact O-N 3.33Å
55R83.8Confident82.3Confident64 Ų6465.8 Ų65.824%0.24237%0.367CS..Hα-helixtrans-65.8-34.8176.2-65.8-16763.6-166-6.4112.8V44 R45 H50 A51 P52 Q53 M59V44-R55 HydrophobicContact CG1-CB 4.02Å; V44-R55 HydrophobicContact CG1-CG 4.46Å; R45-R55 PolarHBondContact O-NH1 3.49Å; H50-R55 HydrophobicContact CB-CG 4.07Å; A51-R55 PolarHBondContact O-N 2.99Å; P52-R55 WeakPolarHBondContact O-CB 3.44Å; P52-R55 PolarHBondContact O-N 2.84Å; Q53-R55 VanDerWaalsContact C-N 3.32Å; Q53-R55 PolarHBondContact O-N 3.15Å; R55-M59 WeakPolarHBondContact O-CB 3.25Å; R55-M59 PolarHBondContact O-N 2.91Å
56I88.8Confident82.7Confident13 Ų1362 Ų627%0.06736%0.357CS..Hα-helixtrans-68.4-45.6172.9-65.6-57.8000110.2V42 V44 P52 Q53 A54 D58 M59 I60 I79 A81V42-I56 HydrophobicContact CB-CD1 4.24Å; V42-I56 HydrophobicContact CG1-CD1 3.81Å; V44-I56 HydrophobicContact CG2-CD1 3.68Å; V44-I56 HydrophobicContact CG2-CG1 4.12Å; P52-I56 PolarHBondContact O-N 3.28Å; P52-I56 VanDerWaalsContact O-N 3.14Å; Q53-I56 PolarHBondContact O-N 3.31Å; A54-I56 VanDerWaalsContact C-N 3.32Å; A54-I56 PolarHBondContact O-N 2.89Å; I56-D58 PolarHBondContact O-N 2.86Å; I56-M59 HydrophobicContact CD1-CE 3.6Å; I56-M59 HydrophobicContact CG2-CE 4.42Å; I56-M59 WeakPolarHBondContact O-CA 3.18Å; I56-M59 WeakPolarHBondContact O-CB 3.41Å; I56-M59 PolarHBondContact O-N 3.15Å; I56-I60 HydrophobicContact CG2-CG2 4.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.45Å; I56-I60 PolarHBondContact O-N 3.32Å; I56-I79 HydrophobicContact CG2-CB 4.5Å; I56-I79 HydrophobicContact CG2-CG2 3.77Å; I56-A81 HydrophobicContact CG1-CB 3.76Å
57A88.3Confident83.6Confident40 Ų4060.2 Ų60.233%0.33135%0.345SS..Hα-helixtrans-55.5-48.2176.600000111.9Q53 A54 M59 I60 N61Q53-A57 PolarHBondContact O-N 2.71Å; A54-A57 WeakPolarHBondContact O-CB 3.38Å; A54-A57 PolarHBondContact O-N 3Å; A57-M59 VanDerWaalsContact C-N 3.27Å; A57-M59 PolarHBondContact O-N 2.85Å; A57-I60 VanDerWaalsContact O-CG1 3.29Å; A57-I60 WeakPolarHBondContact O-CG1 3.22Å; A57-I60 PolarHBondContact O-N 3.45Å; A57-N61 WeakPolarHBondContact O-CB 3.44Å; A57-N61 VanDerWaalsContact O-CG 3.25Å; A57-N61 PolarHBondContact O-N 2.97Å; A57-N61 VanDerWaalsContact O-N 3.12Å; A57-N61 PolarHBondContact O-ND2 2.77Å; A57-N61 VanDerWaalsContact O-ND2 3.09Å
58D87.6Confident84.9Confident93 Ų9353.9 Ų53.950%0.49732%0.318SS..Hα-helixtrans-59.4-39175.6-70-21000112.3A54 I56 C62A54-D58 PolarHBondContact O-N 3.33Å; I56-D58 PolarHBondContact O-N 2.86Å; D58-C62 PolarHBondContact O-SG 3.31Å
59M91.2Very high86.7Confident7 Ų753.6 Ų53.63%0.03430%0.297CS..Hα-helixtrans-67.4-46.5179.7179-177.572.100111.8T19 K24 L27 R55 I56 A57 N61 C62 F65T19-M59 HydrophobicContact CG2-SD 4.01Å; K24-M59 HydrophobicContact CD-CG 4.06Å; K24-M59 HydrophobicContact CG-CG 3.88Å; K24-M59 HydrophobicContact CG-SD 3.78Å; L27-M59 HydrophobicContact CD2-CE 3.44Å; L27-M59 VanDerWaalsContact CD2-CE 3.44Å; R55-M59 WeakPolarHBondContact O-CB 3.25Å; R55-M59 PolarHBondContact O-N 2.91Å; I56-M59 HydrophobicContact CD1-CE 3.6Å; I56-M59 HydrophobicContact CG2-CE 4.42Å; I56-M59 WeakPolarHBondContact O-CA 3.18Å; I56-M59 WeakPolarHBondContact O-CB 3.41Å; I56-M59 PolarHBondContact O-N 3.15Å; A57-M59 VanDerWaalsContact C-N 3.27Å; A57-M59 PolarHBondContact O-N 2.85Å; M59-N61 VanDerWaalsContact C-N 3.25Å; M59-N61 PolarHBondContact O-N 2.84Å; M59-C62 WeakPolarHBondContact O-CB 3.23Å; M59-C62 PolarHBondContact O-N 3.26Å; M59-C62 VanDerWaalsContact O-N 3.14Å; M59-C62 PolarHBondContact O-SG 2.94Å; M59-C62 VanDerWaalsContact O-SG 3.4Å; M59-F65 HydrophobicContact CE-CZ 4.31Å; M59-F65 HydrophobicContact CG-CE2 3.8Å; M59-F65 HydrophobicContact CG-CZ 4.12Å; M59-F65 WeakPolarHBondContact O-CD2 3.32Å; M59-F65 VanDerWaalsContact O-CE2 3.25Å; M59-F65 WeakPolarHBondContact O-CE2 3.34Å
60I93Very high88.4Confident27 Ų2756.1 Ų56.114%0.13829%0.292CS..Hα-helixtrans-74.1-15.4-178.664.7169.3000113.5I56 A57 C62 F65 R69 F75 A76 I79I56-I60 HydrophobicContact CG2-CG2 4.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.45Å; I56-I60 PolarHBondContact O-N 3.32Å; A57-I60 VanDerWaalsContact O-CG1 3.29Å; A57-I60 WeakPolarHBondContact O-CG1 3.22Å; A57-I60 PolarHBondContact O-N 3.45Å; I60-C62 VanDerWaalsContact C-N 3.28Å; I60-F65 HydrophobicContact CB-CG 4.43Å; I60-F65 HydrophobicContact CG2-CD1 4.26Å; I60-F65 HydrophobicContact CG2-CE1 4.2Å; I60-F65 HydrophobicContact CG2-CZ 4.44Å; I60-F65 WeakPolarHBondContact O-CB 3.3Å; I60-R69 PolarHBondContact O-NH2 2.76Å; I60-R69 VanDerWaalsContact O-NH2 3.07Å; I60-F75 HydrophobicContact CB-CE2 4.15Å; I60-F75 HydrophobicContact CB-CZ 4.13Å; I60-F75 HydrophobicContact CG2-CE2 4Å; I60-F75 HydrophobicContact CG2-CZ 4.48Å; I60-A76 HydrophobicContact CD1-CB 3.89Å; I60-I79 HydrophobicContact CG2-CD1 3.76Å
61N91.4Very high90Very high116 Ų11656.3 Ų56.362%0.6229%0.293SS*.THydrogen-bonded Turntrans-80.4-8.2170.8-73.7-29.1000113.1A57 M59A57-N61 WeakPolarHBondContact O-CB 3.44Å; A57-N61 VanDerWaalsContact O-CG 3.25Å; A57-N61 PolarHBondContact O-N 2.97Å; A57-N61 VanDerWaalsContact O-N 3.12Å; A57-N61 PolarHBondContact O-ND2 2.77Å; A57-N61 VanDerWaalsContact O-ND2 3.09Å; M59-N61 VanDerWaalsContact C-N 3.25Å; M59-N61 PolarHBondContact O-N 2.84Å
62C90.3Very high90.9Very high45 Ų4556.6 Ų56.630%0.30429%0.286SS..SBendtrans-68.1148174.5-67.80000111.1D58 M59 I60 L64 F65D58-C62 PolarHBondContact O-SG 3.31Å; M59-C62 WeakPolarHBondContact O-CB 3.23Å; M59-C62 PolarHBondContact O-N 3.26Å; M59-C62 VanDerWaalsContact O-N 3.14Å; M59-C62 PolarHBondContact O-SG 2.94Å; M59-C62 VanDerWaalsContact O-SG 3.4Å; I60-C62 VanDerWaalsContact C-N 3.28Å; C62-L64 PolarHBondContact O-N 2.84Å; C62-F65 PolarHBondContact O-N 3.4Å
63K91Very high91.7Very high121 Ų12160.1 Ų60.153%0.52631%0.309SS..G310 helixtrans-53.2-24.6177.7-70-161.6173.1-163.50115.2F65 D66 F240 Y447K63-F65 PolarHBondContact O-N 3.46Å; K63-D66 WeakPolarHBondContact CA-OD2 3.38Å; K63-D66 WeakPolarHBondContact O-CB 3.29Å; K63-D66 VanDerWaalsContact O-CG 3.31Å; K63-D66 PolarHBondContact O-N 3.43Å; K63-D66 VanDerWaalsContact O-N 3.17Å; K63-F240 HydrophobicContact CB-CZ 4.35Å; K63-F240 WeakPolarHBondContact O-CE1 3.43Å; K63-Y447 HydrophobicContact CD-CE1 4.39Å
64L94.6Very high92.2Very high0 Ų059.5 Ų59.50%031%0.309CS..G310 helixtrans-51.3-41.5173.9-178.576.1000111.5K24 V25 E28 C62 D66 P239 W243K24-L64 HydrophobicContact CB-CD2 3.41Å; K24-L64 VanDerWaalsContact CB-CD2 3.41Å; V25-L64 HydrophobicContact CG2-CD1 4.02Å; V25-L64 HydrophobicContact CG2-CD2 4.42Å; E28-L64 HydrophobicContact CB-CD2 4.29Å; E28-L64 HydrophobicContact CB-CG 4.3Å; E28-L64 HydrophobicContact CG-CG 4.29Å; C62-L64 PolarHBondContact O-N 2.84Å; L64-D66 VanDerWaalsContact C-N 3.32Å; L64-D66 PolarHBondContact O-N 3.47Å; L64-P239 VanDerWaalsContact CD1-CD 3.48Å; L64-P239 HydrophobicContact CD1-CG 3.31Å; L64-P239 HydrophobicContact CG-CG 4.16Å; L64-W243 HydrophobicContact CB-CH2 4.36Å; L64-W243 HydrophobicContact CB-CZ2 3.62Å; L64-W243 HydrophobicContact CD1-CD2 3.45Å; L64-W243 VanDerWaalsContact CD1-CD2 3.45Å; L64-W243 VanDerWaalsContact CD1-CE2 3.48Å; L64-W243 HydrophobicContact CD1-CE3 3.51Å; L64-W243 HydrophobicContact CD1-CG 4.19Å; L64-W243 HydrophobicContact CD1-CH2 3.67Å; L64-W243 HydrophobicContact CD1-CZ2 3.61Å; L64-W243 HydrophobicContact CD1-CZ3 3.62Å; L64-W243 HydrophobicContact CD2-CH2 3.77Å; L64-W243 HydrophobicContact CD2-CZ2 3.87Å; L64-W243 HydrophobicContact CD2-CZ3 4.36Å; L64-W243 HydrophobicContact CG-CH2 4.15Å; L64-W243 HydrophobicContact CG-CZ2 3.9Å
65F96.3Very high92.8Very high0 Ų058.1 Ų58.10%030%0.296CS..G310 helixtrans-88.54.7-174.2-68.7-94000113.2K24 L27 E28 M59 I60 C62 K63 R67 V68 R69 F75K24-F65 HydrophobicContact CB-CE2 4.43Å; L27-F65 HydrophobicContact CD2-CE1 4.39Å; L27-F65 HydrophobicContact CD2-CZ 4.34Å; L27-F65 HydrophobicContact CG-CE1 4.41Å; E28-F65 HydrophobicContact CB-CD1 4.15Å; E28-F65 HydrophobicContact CB-CE1 3.95Å; E28-F65 HydrophobicContact CB-CZ 4.4Å; E28-F65 HydrophobicContact CG-CD1 4.26Å; M59-F65 HydrophobicContact CE-CZ 4.31Å; M59-F65 HydrophobicContact CG-CE2 3.8Å; M59-F65 HydrophobicContact CG-CZ 4.12Å; M59-F65 WeakPolarHBondContact O-CD2 3.32Å; M59-F65 VanDerWaalsContact O-CE2 3.25Å; M59-F65 WeakPolarHBondContact O-CE2 3.34Å; I60-F65 HydrophobicContact CB-CG 4.43Å; I60-F65 HydrophobicContact CG2-CD1 4.26Å; I60-F65 HydrophobicContact CG2-CE1 4.2Å; I60-F65 HydrophobicContact CG2-CZ 4.44Å; I60-F65 WeakPolarHBondContact O-CB 3.3Å; C62-F65 PolarHBondContact O-N 3.4Å; K63-F65 PolarHBondContact O-N 3.46Å; F65-R67 VanDerWaalsContact C-N 3.33Å; F65-R67 PolarHBondContact O-N 3.43Å; F65-V68 HydrophobicContact CB-CG1 3.92Å; F65-V68 HydrophobicContact CD1-CG1 3.77Å; F65-V68 HydrophobicContact CG-CG1 4.31Å; F65-V68 VanDerWaalsContact O-CG1 3.23Å; F65-V68 WeakPolarHBondContact O-CG1 3.47Å; F65-V68 PolarHBondContact O-N 2.9Å; F65-R69 WeakPolarHBondContact O-CB 3.25Å; F65-R69 PolarHBondContact O-N 2.7Å; F65-F75 HydrophobicContact CB-CZ 4.36Å; F65-F75 AromaticContact CD1-CE2 3.79Å; F65-F75 HydrophobicContact CD1-CE2 3.79Å; F65-F75 HydrophobicContact CD1-CZ 4.31Å; F65-F75 HydrophobicContact CE1-CE2 4.46Å
66D94.4Very high93.4Very high53 Ų5356.9 Ų56.928%0.28330%0.3SS..Hα-helixtrans-60.1-45.3-179.7-68.7-12.2000111.1K63 L64 R69 D70K63-D66 WeakPolarHBondContact CA-OD2 3.38Å; K63-D66 WeakPolarHBondContact O-CB 3.29Å; K63-D66 VanDerWaalsContact O-CG 3.31Å; K63-D66 PolarHBondContact O-N 3.43Å; K63-D66 VanDerWaalsContact O-N 3.17Å; L64-D66 VanDerWaalsContact C-N 3.32Å; L64-D66 PolarHBondContact O-N 3.47Å; D66-R69 WeakPolarHBondContact O-CB 3.43Å; D66-R69 PolarHBondContact O-N 3.03Å; D66-R69 IonicContact OD1-CZ 3.39Å; D66-R69 IonicContact OD1-NH1 3.03Å; D66-R69 PolarHBondContact OD1-NH1 3.23Å; D66-R69 IonicContact OD1-NH2 3.14Å; D66-R69 PolarHBondContact OD1-NH2 2.91Å; D66-R69 VanDerWaalsContact OD1-NH2 3.13Å; D66-D70 VanDerWaalsContact O-CG 3.31Å; D66-D70 PolarHBondContact O-N 3.45Å
67R95Very high93.7Very high77 Ų7763.9 Ų63.929%0.29133%0.332SS..Hα-helixtrans-65.5-44-178.6-170.6178.6173.3-163.5-12113R32 F65 R69 D70 E71 E238R32-R67 VanDerWaalsContact NH1-CZ 3.3Å; F65-R67 VanDerWaalsContact C-N 3.33Å; F65-R67 PolarHBondContact O-N 3.43Å; R67-R69 VanDerWaalsContact C-N 3.28Å; R67-R69 PolarHBondContact O-N 3.3Å; R67-D70 PolarHBondContact O-N 2.89Å; R67-E71 HydrophobicContact CG-CG 4.48Å; R67-E71 WeakPolarHBondContact CG-OE1 3.36Å; R67-E71 IonicContact CZ-OE1 2.69Å; R67-E71 IonicContact NE-OE1 3.39Å; R67-E71 PolarHBondContact NE-OE1 2.8Å; R67-E71 IonicContact NH2-OE1 3.91Å; R67-E71 PolarHBondContact NH2-OE1 2.73Å; R67-E71 VanDerWaalsContact NH2-OE1 3.16Å; R67-E71 WeakPolarHBondContact O-CB 3.39Å; R67-E71 WeakPolarHBondContact O-CG 3.1Å; R67-E71 PolarHBondContact O-N 2.69Å; R67-E238 IonicContact CZ-OE1 2.74Å; R67-E238 IonicContact NH1-OE1 3.86Å; R67-E238 PolarHBondContact NH1-OE1 3.48Å; R67-E238 IonicContact NH2-OE1 2.64Å
68V96.3Very high94.2Very high0 Ų064.8 Ų64.80%033%0.328CS..Hα-helixtrans-66.9-32.2176.5660000111.7E28 L31 R32 F65 D70 E71 Q72 F75E28-V68 HydrophobicContact CG-CB 4.32Å; E28-V68 HydrophobicContact CG-CG1 4.03Å; L31-V68 HydrophobicContact CB-CG2 3.99Å; R32-V68 HydrophobicContact CB-CB 3.95Å; R32-V68 HydrophobicContact CB-CG2 3.81Å; R32-V68 HydrophobicContact CG-CB 4.48Å; F65-V68 HydrophobicContact CB-CG1 3.92Å; F65-V68 HydrophobicContact CD1-CG1 3.77Å; F65-V68 HydrophobicContact CG-CG1 4.31Å; F65-V68 VanDerWaalsContact O-CG1 3.23Å; F65-V68 WeakPolarHBondContact O-CG1 3.47Å; F65-V68 PolarHBondContact O-N 2.9Å; V68-D70 VanDerWaalsContact C-N 3.32Å; V68-E71 PolarHBondContact O-N 3.35Å; V68-Q72 HydrophobicContact CG2-CB 4.16Å; V68-Q72 CarbonylContact O-C 3.57Å; V68-Q72 VanDerWaalsContact O-CA 3.32Å; V68-Q72 WeakPolarHBondContact O-CA 3.48Å; V68-Q72 WeakPolarHBondContact O-CB 3.45Å; V68-Q72 PolarHBondContact O-N 3.47Å; V68-F75 HydrophobicContact CG1-CD1 4.34Å; V68-F75 HydrophobicContact CG1-CD2 4.07Å; V68-F75 HydrophobicContact CG1-CE1 4.25Å; V68-F75 HydrophobicContact CG1-CE2 4Å; V68-F75 HydrophobicContact CG1-CG 4.24Å; V68-F75 HydrophobicContact CG1-CZ 4.08Å; V68-F75 HydrophobicContact CG2-CB 3.89Å; V68-F75 HydrophobicContact CG2-CD1 4.33Å; V68-F75 HydrophobicContact CG2-CD2 4.19Å; V68-F75 HydrophobicContact CG2-CG 3.87Å
69R95.8Very high94.6Very high85 Ų8561.3 Ų61.332%0.32131%0.31SS..Hα-helixtrans-65.1-38.1174.8-166.6-176.3-46.5109.75.5112.1I60 F65 D66 R67 F75I60-R69 PolarHBondContact O-NH2 2.76Å; I60-R69 VanDerWaalsContact O-NH2 3.07Å; F65-R69 WeakPolarHBondContact O-CB 3.25Å; F65-R69 PolarHBondContact O-N 2.7Å; D66-R69 WeakPolarHBondContact O-CB 3.43Å; D66-R69 PolarHBondContact O-N 3.03Å; D66-R69 IonicContact OD1-CZ 3.39Å; D66-R69 IonicContact OD1-NH1 3.03Å; D66-R69 PolarHBondContact OD1-NH1 3.23Å; D66-R69 IonicContact OD1-NH2 3.14Å; D66-R69 PolarHBondContact OD1-NH2 2.91Å; D66-R69 VanDerWaalsContact OD1-NH2 3.13Å; R67-R69 VanDerWaalsContact C-N 3.28Å; R67-R69 PolarHBondContact O-N 3.3Å; R69-F75 HydrophobicContact CB-CE1 3.9Å; R69-F75 HydrophobicContact CG-CE1 4.12Å
70D95.2Very high94.9Very high131 Ų13163.6 Ų63.670%0.70132%0.324SS*.Hα-helixtrans-73.5-41.3177.5-64-19.8000111.8D66 R67 V68D66-D70 VanDerWaalsContact O-CG 3.31Å; D66-D70 PolarHBondContact O-N 3.45Å; R67-D70 PolarHBondContact O-N 2.89Å; V68-D70 VanDerWaalsContact C-N 3.32Å
71E95.6Very high95Very high86 Ų8663.2 Ų63.240%0.40233%0.325SS..Hα-helixtrans-82.9-30.2-176.5-68.9-179.2-161.300113.3R32 R67 V68R32-E71 VanDerWaalsContact CD-OE2 3.25Å; R32-E71 WeakPolarHBondContact CD-OE2 3.49Å; R32-E71 HydrophobicContact CG-CB 4.49Å; R32-E71 WeakPolarHBondContact CG-OE2 3.42Å; R67-E71 HydrophobicContact CG-CG 4.48Å; R67-E71 WeakPolarHBondContact CG-OE1 3.36Å; R67-E71 IonicContact CZ-OE1 2.69Å; R67-E71 IonicContact NE-OE1 3.39Å; R67-E71 PolarHBondContact NE-OE1 2.8Å; R67-E71 IonicContact NH2-OE1 3.91Å; R67-E71 PolarHBondContact NH2-OE1 2.73Å; R67-E71 VanDerWaalsContact NH2-OE1 3.16Å; R67-E71 WeakPolarHBondContact O-CB 3.39Å; R67-E71 WeakPolarHBondContact O-CG 3.1Å; R67-E71 PolarHBondContact O-N 2.69Å; V68-E71 PolarHBondContact O-N 3.35Å
72Q96.5Very high95.1Very high57 Ų5757.9 Ų57.927%0.26630%0.297SS..  trans-140.576.2-173.7-58-60.5-37.600110.5P35 V68 D74 F75P35-Q72 HydrophobicContact CB-CG 4.2Å; V68-Q72 HydrophobicContact CG2-CB 4.16Å; V68-Q72 CarbonylContact O-C 3.57Å; V68-Q72 VanDerWaalsContact O-CA 3.32Å; V68-Q72 WeakPolarHBondContact O-CA 3.48Å; V68-Q72 WeakPolarHBondContact O-CB 3.45Å; V68-Q72 PolarHBondContact O-N 3.47Å; Q72-D74 PolarHBondContact O-N 3.03Å; Q72-D74 VanDerWaalsContact O-N 3.08Å; Q72-F75 HydrophobicContact CB-CB 4.17Å; Q72-F75 VanDerWaalsContact O-CB 3.29Å; Q72-F75 WeakPolarHBondContact O-CB 3.29Å; Q72-F75 VanDerWaalsContact O-CD1 3.23Å; Q72-F75 WeakPolarHBondContact O-CD1 3.32Å; Q72-F75 PolarHBondContact O-N 3.45Å
73P93.5Very high95.2Very high91 Ų9158 Ų5859%0.59129%0.294SS*.THydrogen-bonded Turntrans-54.3-35-171.3-2936.6000115F75P73-F75 VanDerWaalsContact C-N 3.31Å; P73-F75 PolarHBondContact O-N 2.77Å
74D94.5Very high95.4Very high105 Ų10552.3 Ų52.356%0.56127%0.27SS*.THydrogen-bonded Turntrans-89.511.4-176.9-49.1-42.7000113.2Q72 A76 E77Q72-D74 PolarHBondContact O-N 3.03Å; Q72-D74 VanDerWaalsContact O-N 3.08Å; D74-A76 PolarHBondContact O-N 3.16Å; D74-A76 VanDerWaalsContact O-N 3.08Å; D74-E77 WeakPolarHBondContact O-CB 3.43Å; D74-E77 PolarHBondContact O-N 3.23Å; D74-E77 VanDerWaalsContact O-N 3.12Å
75F96.2Very high95.3Very high9 Ų953.9 Ų53.94%0.03928%0.278CS..G310 helixtrans-56-32.2-175.778.9-81.5000113.5L31 I60 F65 V68 R69 Q72 P73 E77 K78 I79L31-F75 HydrophobicContact CB-CB 4.33Å; L31-F75 HydrophobicContact CD1-CD2 3.85Å; I60-F75 HydrophobicContact CB-CE2 4.15Å; I60-F75 HydrophobicContact CB-CZ 4.13Å; I60-F75 HydrophobicContact CG2-CE2 4Å; I60-F75 HydrophobicContact CG2-CZ 4.48Å; F65-F75 HydrophobicContact CB-CZ 4.36Å; F65-F75 AromaticContact CD1-CE2 3.79Å; F65-F75 HydrophobicContact CD1-CE2 3.79Å; F65-F75 HydrophobicContact CD1-CZ 4.31Å; F65-F75 HydrophobicContact CE1-CE2 4.46Å; V68-F75 HydrophobicContact CG1-CD1 4.34Å; V68-F75 HydrophobicContact CG1-CD2 4.07Å; V68-F75 HydrophobicContact CG1-CE1 4.25Å; V68-F75 HydrophobicContact CG1-CE2 4Å; V68-F75 HydrophobicContact CG1-CG 4.24Å; V68-F75 HydrophobicContact CG1-CZ 4.08Å; V68-F75 HydrophobicContact CG2-CB 3.89Å; V68-F75 HydrophobicContact CG2-CD1 4.33Å; V68-F75 HydrophobicContact CG2-CD2 4.19Å; V68-F75 HydrophobicContact CG2-CG 3.87Å; R69-F75 HydrophobicContact CB-CE1 3.9Å; R69-F75 HydrophobicContact CG-CE1 4.12Å; Q72-F75 HydrophobicContact CB-CB 4.17Å; Q72-F75 VanDerWaalsContact O-CB 3.29Å; Q72-F75 WeakPolarHBondContact O-CB 3.29Å; Q72-F75 VanDerWaalsContact O-CD1 3.23Å; Q72-F75 WeakPolarHBondContact O-CD1 3.32Å; Q72-F75 PolarHBondContact O-N 3.45Å; P73-F75 VanDerWaalsContact C-N 3.31Å; P73-F75 PolarHBondContact O-N 2.77Å; F75-E77 VanDerWaalsContact C-N 3.28Å; F75-E77 PolarHBondContact O-N 2.85Å; F75-K78 PolarHBondContact O-N 2.88Å; F75-I79 HydrophobicContact CD2-CD1 4.28Å; F75-I79 HydrophobicContact CE2-CD1 4.27Å
76A95.6Very high95.1Very high39 Ų3954.5 Ų54.532%0.32228%0.281SS..G310 helixtrans-66.8-30.4-176.500000112.3I60 D74 K78 I79I60-A76 HydrophobicContact CD1-CB 3.89Å; D74-A76 PolarHBondContact O-N 3.16Å; D74-A76 VanDerWaalsContact O-N 3.08Å; A76-K78 PolarHBondContact O-N 3.42Å; A76-I79 PolarHBondContact O-N 3.06Å; A76-I79 VanDerWaalsContact O-N 3.1Å
77E95.9Very high95Very high160 Ų16054 Ų5475%0.74828%0.28SS*.G310 helixtrans-65.1-22.9179-57.9-171.9166.500112.3D74 F75 I79D74-E77 WeakPolarHBondContact O-CB 3.43Å; D74-E77 PolarHBondContact O-N 3.23Å; D74-E77 VanDerWaalsContact O-N 3.12Å; F75-E77 VanDerWaalsContact C-N 3.28Å; F75-E77 PolarHBondContact O-N 2.85Å; E77-I79 VanDerWaalsContact C-N 3.31Å
78K97.2Very high94.9Very high58 Ų5853.8 Ų53.825%0.25228%0.284SS..G310 helixtrans-81.6-9.5178.5-63.2174.7-177.9167.80112.7L31 P35 I37 A39 A40 F75 A76L31-K78 HydrophobicContact CD2-CB 4.01Å; L31-K78 HydrophobicContact CD2-CD 4.44Å; P35-K78 PolarHBondContact O-NZ 3.33Å; I37-K78 HydrophobicContact CG1-CD 4.34Å; A39-K78 CarbonylContact C-O 3.54Å; A39-K78 WeakPolarHBondContact CA-O 3.23Å; A40-K78 PolarHBondContact N-O 3.2Å; F75-K78 PolarHBondContact O-N 2.88Å; A76-K78 PolarHBondContact O-N 3.42Å
79I97.6Very high94.8Very high21 Ų2158.5 Ų58.511%0.10832%0.315CS..EExtended strand (participates in β ladder)trans-92.1115.7-175.8-54.7171.9000109.7L27 L31 A40 V42 I56 I60 F75 A76 E77L27-I79 HydrophobicContact CD2-CD1 4.21Å; L31-I79 HydrophobicContact CD1-CD1 3.74Å; L31-I79 HydrophobicContact CD1-CG1 3.76Å; A40-I79 WeakPolarHBondContact O-CA 3.38Å; V42-I79 HydrophobicContact CG2-CG2 4.12Å; I56-I79 HydrophobicContact CG2-CB 4.5Å; I56-I79 HydrophobicContact CG2-CG2 3.77Å; I60-I79 HydrophobicContact CG2-CD1 3.76Å; F75-I79 HydrophobicContact CD2-CD1 4.28Å; F75-I79 HydrophobicContact CE2-CD1 4.27Å; A76-I79 PolarHBondContact O-N 3.06Å; A76-I79 VanDerWaalsContact O-N 3.1Å; E77-I79 VanDerWaalsContact C-N 3.31Å
80V96.4Very high94.6Very high55 Ų5560.1 Ų60.133%0.33333%0.326SS..EExtended strand (participates in β ladder)trans-105.4110176.5-175.50000109A39 A40 Y41 V42 V82A39-V80 HydrophobicContact CB-CG2 4.24Å; A40-V80 PolarHBondContact O-N 2.79Å; Y41-V80 CarbonylContact C-O 3.54Å; Y41-V80 WeakPolarHBondContact CA-O 3.49Å; Y41-V80 HydrophobicContact CD1-CB 3.84Å; Y41-V80 HydrophobicContact CD1-CG1 3.76Å; Y41-V80 HydrophobicContact CE1-CB 4.01Å; Y41-V80 HydrophobicContact CE1-CG1 3.74Å; Y41-V80 HydrophobicContact CE1-CG2 4.33Å; Y41-V80 HydrophobicContact CG-CB 4.23Å; V42-V80 PolarHBondContact N-O 2.88Å; V80-V82 HydrophobicContact CG1-CG2 4.42Å
81A95.1Very high94.6Very high19 Ų1954 Ų5416%0.15729%0.294CS..EExtended strand (participates in β ladder)trans-79.2124.3176.500000110.3P52 Q53 I56P52-A81 HydrophobicContact CB-CB 4.19Å; Q53-A81 HydrophobicContact CG-CB 4.35Å; I56-A81 HydrophobicContact CG1-CB 3.76Å
82V94.8Very high94.6Very high4 Ų452.9 Ų52.92%0.02429%0.29CS..EExtended strand (participates in β ladder)trans-117128.5176.4-177.80000108.7Y41 V42 L43 V44 V80 S84 L93 D97Y41-V82 HydrophobicContact CD1-CG2 3.95Å; V42-V82 PolarHBondContact O-N 2.94Å; L43-V82 WeakPolarHBondContact CA-O 3.33Å; L43-V82 HydrophobicContact CD2-CB 3.75Å; L43-V82 HydrophobicContact CD2-CG1 3.86Å; V44-V82 PolarHBondContact N-O 3.27Å; V80-V82 HydrophobicContact CG1-CG2 4.42Å; V82-S84 PolarHBondContact O-N 3.48Å; V82-L93 HydrophobicContact CG1-CD2 3.52Å; V82-D97 HydrophobicContact CG1-CB 4.05Å
83N92.7Very high94.5Very high46 Ų4650.8 Ų50.825%0.24628%0.281CS..EExtended strand (participates in β ladder)trans-68.3127.2176.5-178.464.6000109.6V44 H46 P52 D92V44-N83 WeakPolarHBondContact O-CA 3.33Å; H46-N83 WeakPolarHBondContact CB-OD1 3.11Å; H46-N83 PolarHBondContact N-OD1 3.11Å; P52-N83 HydrophobicContact CG-CB 4.02Å; N83-D92 PolarHBondContact ND2-OD2 2.87Å
84S93.3Very high94.6Very high2 Ų249 Ų491%0.01427%0.27CS..  trans-162.5127.8175.8171.40000111.5V44 R45 V82 L91V44-S84 CarbonylContact C-O 3.53Å; V44-S84 PolarHBondContact O-N 3.04Å; R45-S84 WeakPolarHBondContact CA-O 3.41Å; R45-S84 VanDerWaalsContact CG-O 3.23Å; R45-S84 WeakPolarHBondContact CG-O 3.42Å; R45-S84 PolarHBondContact N-O 2.72Å; V82-S84 PolarHBondContact O-N 3.48Å; S84-L91 WeakPolarHBondContact CA-O 3.33Å; S84-L91 WeakPolarHBondContact CB-O 3.4Å; S84-L91 PolarHBondContact OG-O 3.41Å
85D92.7Very high94.7Very high34 Ų3448.5 Ų48.518%0.18227%0.271CS..  trans-107.7107.5158.7-162.2-36.7000110R45 T87 L88 L91 D92R45-D85 VanDerWaalsContact CD-OD2 3.26Å; R45-D85 WeakPolarHBondContact CD-OD2 3.45Å; R45-D85 HydrophobicContact CG-CB 4.08Å; D85-T87 PolarHBondContact O-N 3.47Å; D85-T87 WeakPolarHBondContact OD1-CB 3.48Å; D85-T87 PolarHBondContact OD1-N 3.31Å; D85-T87 PolarHBondContact OD1-OG1 2.97Å; D85-L88 HydrophobicContact CB-CD1 3.97Å; D85-L88 HydrophobicContact CB-CG 4.02Å; D85-L88 PolarHBondContact O-N 3.05Å; D85-L91 CarbonylContact C-O 3.4Å; D85-L91 PolarHBondContact N-O 3.08Å; D85-L91 CarbonylContact O-C 3.57Å; D85-L91 VanDerWaalsContact O-C 3.31Å; D85-D92 HydrophobicContact CB-CB 4.19Å; D85-D92 VanDerWaalsContact N-CB 3.34Å
86L93.7Very high94.7Very high13 Ų1355 Ų557%0.06830%0.302CS..THydrogen-bonded Turntrans-60.3-17.4-178.8-52.4177.9000113.4L43 L88 L91 A112 L127 A131 M135L43-L86 HydrophobicContact CD1-CD2 3.83Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L91 HydrophobicContact CB-CD2 4.38Å; L86-L91 HydrophobicContact CD2-CD2 3.88Å; L86-A112 HydrophobicContact CD1-CB 3.27Å; L86-L127 HydrophobicContact CB-CD1 4.26Å; L86-A131 HydrophobicContact CB-CB 3.78Å; L86-A131 WeakPolarHBondContact O-CB 3.19Å; L86-M135 HydrophobicContact CD2-SD 4.16Å
87T91.9Very high94.8Very high41 Ų4155.4 Ų55.425%0.25230%0.298SS..THydrogen-bonded Turntrans-81.1-16.1177.4670000113D85 Q126 L127D85-T87 PolarHBondContact O-N 3.47Å; D85-T87 WeakPolarHBondContact OD1-CB 3.48Å; D85-T87 PolarHBondContact OD1-N 3.31Å; D85-T87 PolarHBondContact OD1-OG1 2.97Å; T87-Q126 HydrophobicContact CG2-CG 4.2Å; T87-Q126 PolarHBondContact O-NE2 3.47Å; T87-L127 HydrophobicContact CG2-CB 4.3Å; T87-L127 HydrophobicContact CG2-CD1 3.98Å
88L93.4Very high94.8Very high73 Ų7348.7 Ų48.738%0.38227%0.267SS..SBendtrans-88.6163.8-179.1-64.4-177.9000112.7D85 L86 L91 D92 K134D85-L88 HydrophobicContact CB-CD1 3.97Å; D85-L88 HydrophobicContact CB-CG 4.02Å; D85-L88 PolarHBondContact O-N 3.05Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L88-L91 PolarHBondContact O-N 3.48Å; L88-D92 HydrophobicContact CB-CB 4.05Å; L88-D92 HydrophobicContact CD1-CB 3.98Å; L88-K134 PolarHBondContact O-NZ 3.42Å
89P92.8Very high94.8Very high100 Ų10051 Ų5165%0.64928%0.279SS*.G310 helixtrans-54.3145.2171.9-24.735.6000111.7L91 D92P89-L91 PolarHBondContact O-N 3Å; P89-D92 PolarHBondContact O-N 3.08Å
90E93Very high94.9Very high118 Ų11852.6 Ų52.655%0.55129%0.29SS*.G310 helixtrans4830.4-178.9-56.7-53.4128.700114.4D92 L93E90-D92 PolarHBondContact O-N 2.84Å; E90-D92 VanDerWaalsContact O-N 3.13Å; E90-L93 PolarHBondContact O-N 2.77Å; E90-L93 VanDerWaalsContact O-N 3.09Å
91L94.7Very high95Very high4 Ų450 Ų502%0.02127%0.274CS..G310 helixtrans60.217.4-178.9-53.4168000114.6S84 D85 L86 L88 P89 L93 K134 M135 L138S84-L91 WeakPolarHBondContact CA-O 3.33Å; S84-L91 WeakPolarHBondContact CB-O 3.4Å; S84-L91 PolarHBondContact OG-O 3.41Å; D85-L91 CarbonylContact C-O 3.4Å; D85-L91 PolarHBondContact N-O 3.08Å; D85-L91 CarbonylContact O-C 3.57Å; D85-L91 VanDerWaalsContact O-C 3.31Å; L86-L91 HydrophobicContact CB-CD2 4.38Å; L86-L91 HydrophobicContact CD2-CD2 3.88Å; L88-L91 PolarHBondContact O-N 3.48Å; P89-L91 PolarHBondContact O-N 3Å; L91-L93 HydrophobicContact CB-CD1 3.93Å; L91-L93 HydrophobicContact CB-CG 3.98Å; L91-L93 HydrophobicContact CD1-CD1 3.99Å; L91-L93 PolarHBondContact O-N 3.12Å; L91-K134 HydrophobicContact CD1-CB 4.45Å; L91-K134 HydrophobicContact CD2-CB 3.48Å; L91-K134 VanDerWaalsContact CD2-CB 3.48Å; L91-K134 HydrophobicContact CD2-CD 4.07Å; L91-K134 HydrophobicContact CD2-CG 4.44Å; L91-K134 HydrophobicContact CG-CB 3.9Å; L91-M135 HydrophobicContact CD1-CG 4.3Å; L91-M135 HydrophobicContact CD1-SD 3.48Å; L91-M135 WeakPolarHBondContact CD1-SD 3.35Å; L91-M135 HydrophobicContact CD2-CG 4.25Å; L91-M135 HydrophobicContact CD2-SD 4.22Å; L91-M135 HydrophobicContact CG-SD 4.48Å; L91-L138 HydrophobicContact CD1-CB 4.29Å; L91-L138 HydrophobicContact CD1-CD2 3.88Å
92D95.2Very high95.1Very high62 Ų6249.5 Ų49.533%0.33227%0.269SS..G310 helixtrans58.525.7-170.6-159.340.1000113.5N83 D85 L88 P89 E90N83-D92 PolarHBondContact ND2-OD2 2.87Å; D85-D92 HydrophobicContact CB-CB 4.19Å; D85-D92 VanDerWaalsContact N-CB 3.34Å; L88-D92 HydrophobicContact CB-CB 4.05Å; L88-D92 HydrophobicContact CD1-CB 3.98Å; P89-D92 PolarHBondContact O-N 3.08Å; E90-D92 PolarHBondContact O-N 2.84Å; E90-D92 VanDerWaalsContact O-N 3.13Å
93L95.1Very high95.3Very high13 Ų1352.7 Ų52.77%0.06829%0.287CS..  trans-89.2135.7178.6-66.5170.1000110.2L43 V82 E90 L91 D97 Q98 L101 L138L43-L93 HydrophobicContact CD2-CD2 4.16Å; V82-L93 HydrophobicContact CG1-CD2 3.52Å; E90-L93 PolarHBondContact O-N 2.77Å; E90-L93 VanDerWaalsContact O-N 3.09Å; L91-L93 HydrophobicContact CB-CD1 3.93Å; L91-L93 HydrophobicContact CB-CG 3.98Å; L91-L93 HydrophobicContact CD1-CD1 3.99Å; L91-L93 PolarHBondContact O-N 3.12Å; L93-D97 HydrophobicContact CB-CB 4.45Å; L93-D97 HydrophobicContact CD2-CB 4.2Å; L93-Q98 HydrophobicContact CB-CG 3.56Å; L93-Q98 HydrophobicContact CD1-CG 4.12Å; L93-Q98 PolarHBondContact O-NE2 3.43Å; L93-Q98 VanDerWaalsContact O-NE2 3.08Å; L93-L101 HydrophobicContact CD1-CD1 4.01Å; L93-L101 HydrophobicContact CD2-CD1 4.2Å; L93-L138 HydrophobicContact CD1-CD2 3.82Å
94S95.2Very high95.5Very high52 Ų5251.7 Ų51.736%0.36428%0.283SS..  trans-62.7155.9167.474.30000110.6E96 D97 Q98S94-E96 PolarHBondContact O-N 3.21Å; S94-D97 PolarHBondContact O-N 2.99Å; S94-D97 WeakPolarHBondContact OG-CB 3.45Å; S94-D97 PolarHBondContact OG-N 3.34Å; S94-D97 PolarHBondContact OG-OD2 2.68Å; S94-Q98 WeakPolarHBondContact O-CG 3.22Å; S94-Q98 PolarHBondContact O-N 2.9Å
95T95.8Very high95.8Very high95 Ų9551.6 Ų51.658%0.58328%0.282SS*.Hα-helixtrans-57.1-39.7176-510000111.4Q98 E99T95-Q98 PolarHBondContact O-N 3.12Å; T95-E99 WeakPolarHBondContact O-CG 3.22Å; T95-E99 PolarHBondContact O-N 2.84Å
96E96.9Very high96.1Very high145 Ų14551 Ų5168%0.67828%0.279SS*.Hα-helixtrans-63.1-44177-176.5178.5-175.300112.1S94 E99 T100S94-E96 PolarHBondContact O-N 3.21Å; E96-E99 PolarHBondContact O-N 3.39Å; E96-T100 WeakPolarHBondContact O-CB 3.24Å; E96-T100 PolarHBondContact O-N 3.12Å; E96-T100 PolarHBondContact O-OG1 2.96Å
97D96.6Very high96.3Very high48 Ų4850.4 Ų50.426%0.25728%0.276SS..Hα-helixtrans-64.7-41.6175.5-70.4-51.7000111V82 L93 S94 E99 T100 L101V82-D97 HydrophobicContact CG1-CB 4.05Å; L93-D97 HydrophobicContact CB-CB 4.45Å; L93-D97 HydrophobicContact CD2-CB 4.2Å; S94-D97 PolarHBondContact O-N 2.99Å; S94-D97 WeakPolarHBondContact OG-CB 3.45Å; S94-D97 PolarHBondContact OG-N 3.34Å; S94-D97 PolarHBondContact OG-OD2 2.68Å; D97-E99 PolarHBondContact O-N 3.23Å; D97-T100 PolarHBondContact O-N 2.85Å; D97-L101 WeakPolarHBondContact O-CB 3.28Å; D97-L101 WeakPolarHBondContact O-CG 3.36Å; D97-L101 PolarHBondContact O-N 2.8Å
98Q97.2Very high96.6Very high19 Ų1948.5 Ų48.59%0.08926%0.264CS..Hα-helixtrans-61.5-43.8177.4-68.7178.741.600111.8L93 S94 T95 A102L93-Q98 HydrophobicContact CB-CG 3.56Å; L93-Q98 HydrophobicContact CD1-CG 4.12Å; L93-Q98 PolarHBondContact O-NE2 3.43Å; L93-Q98 VanDerWaalsContact O-NE2 3.08Å; S94-Q98 WeakPolarHBondContact O-CG 3.22Å; S94-Q98 PolarHBondContact O-N 2.9Å; T95-Q98 PolarHBondContact O-N 3.12Å; Q98-A102 WeakPolarHBondContact O-CB 3.13Å; Q98-A102 PolarHBondContact O-N 2.88Å
99E97.6Very high96.9Very high107 Ų10745 Ų4550%0.525%0.246SC..Hα-helixtrans-64.7-47.2176.4-74174.5-176.900111.1T95 E96 D97 L101 A102 D103T95-E99 WeakPolarHBondContact O-CG 3.22Å; T95-E99 PolarHBondContact O-N 2.84Å; E96-E99 PolarHBondContact O-N 3.39Å; D97-E99 PolarHBondContact O-N 3.23Å; E99-L101 PolarHBondContact O-N 2.84Å; E99-A102 PolarHBondContact O-N 3.36Å; E99-D103 WeakPolarHBondContact O-CB 3.43Å; E99-D103 PolarHBondContact O-N 3.09Å
100T98.1Very high97.2Very high55 Ų5540.2 Ų40.234%0.33722%0.215SC..Hα-helixtrans-56.8-48.8176.9-61.60000111.4Y41 E96 D97 D103 C104Y41-T100 HydrophobicContact CE1-CG2 4.17Å; E96-T100 WeakPolarHBondContact O-CB 3.24Å; E96-T100 PolarHBondContact O-N 3.12Å; E96-T100 PolarHBondContact O-OG1 2.96Å; D97-T100 PolarHBondContact O-N 2.85Å; T100-D103 PolarHBondContact O-N 3.03Å; T100-C104 PolarHBondContact O-N 3.17Å; T100-C104 PolarHBondContact O-SG 2.96Å
101L98.3Very high97.3Very high1 Ų135.7 Ų35.71%0.00520%0.196CC..Hα-helixtrans-65.6-39.6178.7-68.2176.3000111.8L14 Y41 L43 L93 D97 E99 D103 I105 L138 M142L14-L101 HydrophobicContact CD1-CD2 3.92Å; L14-L101 HydrophobicContact CD2-CD1 4.45Å; L14-L101 HydrophobicContact CD2-CD2 4.47Å; Y41-L101 HydrophobicContact CD1-CD2 3.73Å; Y41-L101 HydrophobicContact CE1-CD2 4.4Å; Y41-L101 HydrophobicContact CG-CD2 3.96Å; L43-L101 HydrophobicContact CD2-CD1 4.39Å; L93-L101 HydrophobicContact CD1-CD1 4.01Å; L93-L101 HydrophobicContact CD2-CD1 4.2Å; D97-L101 WeakPolarHBondContact O-CB 3.28Å; D97-L101 WeakPolarHBondContact O-CG 3.36Å; D97-L101 PolarHBondContact O-N 2.8Å; E99-L101 PolarHBondContact O-N 2.84Å; L101-D103 VanDerWaalsContact C-N 3.27Å; L101-D103 PolarHBondContact O-N 3.13Å; L101-I105 HydrophobicContact CB-CG1 4.25Å; L101-I105 HydrophobicContact CD2-CD1 3.96Å; L101-I105 HydrophobicContact CD2-CG1 3.85Å; L101-I105 WeakPolarHBondContact O-CB 3.4Å; L101-I105 WeakPolarHBondContact O-CG1 3.36Å; L101-I105 PolarHBondContact O-N 3.31Å; L101-L138 HydrophobicContact CD1-CD2 4.29Å; L101-M142 HydrophobicContact CB-CE 4.46Å
102A98.2Very high97.1Very high7 Ų736 Ų366%0.05820%0.199CC..Hα-helixtrans-63.7-33.6175.700000112.5Q98 E99 R141 M142 K143Q98-A102 WeakPolarHBondContact O-CB 3.13Å; Q98-A102 PolarHBondContact O-N 2.88Å; E99-A102 PolarHBondContact O-N 3.36Å; A102-R141 HydrophobicContact CB-CB 4.24Å; A102-M142 CarbonylContact O-C 3.56Å; A102-M142 VanDerWaalsContact O-CA 3.27Å; A102-M142 WeakPolarHBondContact O-CA 3.27Å; A102-K143 PolarHBondContact O-N 2.71Å
103D98.3Very high96.6Very high72 Ų7234.4 Ų34.439%0.38520%0.195SC..Hα-helixtrans-84.8-27.2-173.2-79.9-2.6000114.3E99 T100 L101 K143 H144E99-D103 WeakPolarHBondContact O-CB 3.43Å; E99-D103 PolarHBondContact O-N 3.09Å; T100-D103 PolarHBondContact O-N 3.03Å; L101-D103 VanDerWaalsContact C-N 3.27Å; L101-D103 PolarHBondContact O-N 3.13Å; D103-K143 WeakPolarHBondContact OD1-CD 3.41Å; D103-K143 WeakPolarHBondContact OD1-CE 3.28Å; D103-K143 IonicContact OD1-NZ 3.64Å; D103-K143 PolarHBondContact OD1-NZ 2.87Å; D103-K143 IonicContact OD2-NZ 3.47Å; D103-H144 PolarHBondContact O-CD2 2.82Å
104C98Very high95.9Very high24 Ų2434.2 Ų34.216%0.16219%0.194CC..Hα-helixtrans-121-20-169.975.40000116.1N12 T100 N106N12-C104 WeakPolarHBondContact CB-O 3.29Å; N12-C104 PolarHBondContact ND2-O 2.97Å; T100-C104 PolarHBondContact O-N 3.17Å; T100-C104 PolarHBondContact O-SG 2.96Å; C104-N106 PolarHBondContact O-N 3.19Å; C104-N106 PolarHBondContact O-OD1 2.9Å
105I98.7Very high95Very high0 Ų036.1 Ų36.10%020%0.199CC..EExtended strand (participates in β ladder)trans-72.6130.8-171-63.6-59.5000112N12 L14 Y41 L101 V108 M142 H144 L145N12-I105 HydrophobicContact CB-CD1 4.01Å; L14-I105 HydrophobicContact CB-CD1 3.91Å; L14-I105 HydrophobicContact CB-CG1 4.17Å; L14-I105 HydrophobicContact CB-CG2 3.91Å; Y41-I105 HydrophobicContact CD2-CD1 3.46Å; Y41-I105 VanDerWaalsContact CD2-CD1 3.46Å; Y41-I105 HydrophobicContact CE2-CD1 4.01Å; Y41-I105 HydrophobicContact CG-CD1 3.87Å; L101-I105 HydrophobicContact CB-CG1 4.25Å; L101-I105 HydrophobicContact CD2-CD1 3.96Å; L101-I105 HydrophobicContact CD2-CG1 3.85Å; L101-I105 WeakPolarHBondContact O-CB 3.4Å; L101-I105 WeakPolarHBondContact O-CG1 3.36Å; L101-I105 PolarHBondContact O-N 3.31Å; I105-V108 HydrophobicContact CG2-CG2 3.8Å; I105-M142 HydrophobicContact CB-CE 3.91Å; I105-M142 HydrophobicContact CB-CG 4.46Å; I105-M142 HydrophobicContact CB-SD 3.85Å; I105-M142 HydrophobicContact CG1-CE 4.09Å; I105-M142 HydrophobicContact CG2-CE 3.89Å; I105-M142 HydrophobicContact CG2-SD 3.69Å; I105-H144 CarbonylContact O-C 3.55Å; I105-L145 PolarHBondContact O-N 2.76Å
106N98.6Very high94.2Very high23 Ų2339.4 Ų39.412%0.12320%0.201CC..EExtended strand (participates in β ladder)trans-104.3-34.9176.4-56.5102.6000112.1K11 N12 C104 H144 E146K11-N106 WeakPolarHBondContact CA-OD1 3.32Å; K11-N106 HydrophobicContact CB-CB 3.96Å; K11-N106 HydrophobicContact CD-CB 4.03Å; K11-N106 HydrophobicContact CG-CB 4Å; N12-N106 PolarHBondContact N-OD1 3.31Å; N12-N106 PolarHBondContact O-N 3.23Å; C104-N106 PolarHBondContact O-N 3.19Å; C104-N106 PolarHBondContact O-OD1 2.9Å; N106-H144 PolarHBondContact ND2-O 2.8Å; N106-E146 HydrophobicContact CB-CG 3.95Å; N106-E146 VanDerWaalsContact O-CG 3.22Å; N106-E146 WeakPolarHBondContact O-CG 3.13Å; N106-E146 PolarHBondContact O-N 3.42Å
107V98.8Very high93.4Very high0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-133.9129.6-174.8179.30000109.5Y7 Y8 K11 N12 V13 L14 F109 V147 A289Y7-V107 HydrophobicContact CE1-CG2 4.27Å; Y8-V107 HydrophobicContact CE1-CG1 4.36Å; Y8-V107 HydrophobicContact CE1-CG2 4.22Å; K11-V107 HydrophobicContact CD-CG2 4.33Å; N12-V107 PolarHBondContact O-N 3.1Å; V13-V107 CarbonylContact C-O 3.38Å; V13-V107 WeakPolarHBondContact CA-O 3.5Å; V13-V107 HydrophobicContact CG1-CB 4.35Å; V13-V107 HydrophobicContact CG1-CG1 4.39Å; V13-V107 HydrophobicContact CG2-CB 4.21Å; L14-V107 PolarHBondContact N-O 3.19Å; V107-F109 HydrophobicContact CG1-CD2 4.03Å; V107-F109 HydrophobicContact CG1-CE1 4.35Å; V107-F109 HydrophobicContact CG1-CE2 3.53Å; V107-F109 HydrophobicContact CG1-CZ 3.73Å; V107-V147 HydrophobicContact CB-CG1 4.33Å; V107-V147 HydrophobicContact CG1-CG1 3.79Å; V107-V147 HydrophobicContact CG2-CG1 4.09Å; V107-A289 HydrophobicContact CG1-CB 4.39Å
108V98.8Very high92.5Very high0 Ų038.9 Ų38.90%020%0.2CC..EExtended strand (participates in β ladder)trans-110.8127.4172.6178.80000109.7L14 I105 M135 M142 L145 V147 F148 L149L14-V108 HydrophobicContact CB-CG2 4.23Å; L14-V108 HydrophobicContact CD2-CG2 4.32Å; L14-V108 CarbonylContact O-C 3.31Å; L14-V108 WeakPolarHBondContact O-CA 3.22Å; I105-V108 HydrophobicContact CG2-CG2 3.8Å; V108-M135 HydrophobicContact CG1-CE 4.08Å; V108-M142 HydrophobicContact CG2-CE 3.86Å; V108-M142 HydrophobicContact CG2-SD 3.63Å; V108-L145 HydrophobicContact CB-CD1 4.41Å; V108-L145 HydrophobicContact CG2-CD1 3.73Å; V108-V147 PolarHBondContact N-O 2.89Å; V108-F148 HydrophobicContact CB-CD2 3.72Å; V108-F148 HydrophobicContact CB-CE2 4.28Å; V108-F148 HydrophobicContact CB-CG 4.4Å; V108-F148 HydrophobicContact CG1-CD2 3.61Å; V108-F148 HydrophobicContact CG1-CE2 3.64Å; V108-F148 HydrophobicContact CG2-CD2 4.21Å; V108-L149 PolarHBondContact O-N 3.48Å
109F98.8Very high92Very high0 Ų039.5 Ų39.50%020%0.203CC..EExtended strand (participates in β ladder)trans-109.3101.5165.9-64-74.8000109.4Y8 V13 L14 I15 T16 L26 V107 C111 L149 T285 L286 A289Y8-F109 HydrophobicContact CE1-CE2 4.42Å; Y8-F109 HydrophobicContact CE1-CZ 4.26Å; Y8-F109 WeakPolarHBondContact OH-CZ 3.47Å; V13-F109 HydrophobicContact CG1-CD2 3.4Å; V13-F109 VanDerWaalsContact CG1-CD2 3.4Å; V13-F109 HydrophobicContact CG1-CE2 3.47Å; V13-F109 VanDerWaalsContact CG1-CE2 3.47Å; L14-F109 PolarHBondContact O-N 2.98Å; I15-F109 HydrophobicContact CG1-CB 4.44Å; I15-F109 HydrophobicContact CG1-CD2 4.22Å; I15-F109 HydrophobicContact CG2-CB 4.49Å; T16-F109 PolarHBondContact N-O 3.47Å; L26-F109 HydrophobicContact CD2-CB 3.76Å; L26-F109 HydrophobicContact CD2-CD1 4.24Å; L26-F109 HydrophobicContact CD2-CD2 4.15Å; L26-F109 HydrophobicContact CD2-CG 3.81Å; V107-F109 HydrophobicContact CG1-CD2 4.03Å; V107-F109 HydrophobicContact CG1-CE1 4.35Å; V107-F109 HydrophobicContact CG1-CE2 3.53Å; V107-F109 HydrophobicContact CG1-CZ 3.73Å; F109-C111 PolarHBondContact O-N 3.5Å; F109-L149 HydrophobicContact CD1-CB 3.98Å; F109-L149 HydrophobicContact CD1-CD1 4.27Å; F109-L149 HydrophobicContact CD1-CD2 4.17Å; F109-L149 HydrophobicContact CD1-CG 4.36Å; F109-L149 HydrophobicContact CE1-CB 4.36Å; F109-L149 HydrophobicContact CE1-CD1 4.08Å; F109-T285 HydrophobicContact CD1-CG2 3.68Å; F109-T285 HydrophobicContact CE1-CG2 3.7Å; F109-L286 HydrophobicContact CE1-CD2 4.44Å; F109-L286 HydrophobicContact CE2-CD2 4.25Å; F109-L286 HydrophobicContact CZ-CD2 3.74Å; F109-A289 HydrophobicContact CE1-CB 3.56Å; F109-A289 HydrophobicContact CZ-CB 3.74Å
110H98.4Very high91.8Very high0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-88.789176.5-170.354.9000110.5T16 T132 F148 L149 H150 V151T16-H110 WeakPolarHBondContact CG2-ND1 3.31Å; T16-H110 WeakPolarHBondContact OG1-CA 3.24Å; T16-H110 PolarHBondContact OG1-ND1 3.33Å; H110-T132 PolarHBondContact NE2-OG1 3.37Å; H110-F148 HydrophobicContact CB-CE1 4.28Å; H110-F148 HydrophobicContact CB-CE2 4.49Å; H110-F148 HydrophobicContact CB-CZ 3.87Å; H110-L149 PolarHBondContact N-O 3.1Å; H110-H150 AromaticContact CD2-CE1 3.86Å; H110-H150 AromaticContact CD2-ND1 3.43Å; H110-H150 PolarHBondContact CD2-ND1 2.94Å; H110-V151 PolarHBondContact O-N 2.88Å
111C95.7Very high91.5Very high23 Ų2335.5 Ų35.516%0.15519%0.187CC..  trans-102.5-11.8-178.6-54.20000113.7T16 F109 A113 V151T16-C111 WeakPolarHBondContact O-CB 3.46Å; T16-C111 PolarHBondContact O-N 2.89Å; T16-C111 PolarHBondContact OG1-N 3.44Å; T16-C111 VanDerWaalsContact OG1-N 3.08Å; F109-C111 PolarHBondContact O-N 3.5Å; C111-A113 PolarHBondContact O-N 3.42Å; C111-V151 HydrophobicContact CB-CG2 4.29Å; C111-V151 VanDerWaalsContact SG-CG2 3.55Å
112A90.3Very high91.3Very high11 Ų1138.1 Ų38.19%0.09120%0.198CC..  trans-65.7131.7179.900000111.7T16 L86T16-A112 VanDerWaalsContact OG1-CB 3.27Å; T16-A112 WeakPolarHBondContact OG1-CB 3.07Å; T16-A112 PolarHBondContact OG1-N 3.46Å; L86-A112 HydrophobicContact CD1-CB 3.27Å
113A84.6Confident91Very high28 Ų2841.6 Ų41.623%0.23122%0.216CC..  trans-162.3158.8175.100000109.4C111 N128 K208C111-A113 PolarHBondContact O-N 3.42Å; A113-N128 VanDerWaalsContact CA-OD1 3.27Å; A113-N128 WeakPolarHBondContact CA-OD1 3.22Å; A113-N128 WeakPolarHBondContact CB-OD1 3.38Å; A113-K208 VanDerWaalsContact CB-NZ 3.33Å
114T81.1Confident90.8Very high8 Ų838.1 Ų38.15%0.04920%0.197CC..  trans-77.1135.2155.2-179.90000109.6R116 E119 A124 N128 Y204T114-R116 PolarHBondContact OG1-N 3.13Å; T114-R116 VanDerWaalsContact OG1-N 3.12Å; T114-E119 WeakPolarHBondContact CB-OE2 3.48Å; T114-E119 WeakPolarHBondContact CG2-OE2 3.49Å; T114-E119 PolarHBondContact OG1-OE2 2.94Å; T114-A124 HydrophobicContact CG2-CB 4.21Å; T114-N128 WeakPolarHBondContact CG2-ND2 3.39Å; T114-N128 PolarHBondContact N-OD1 2.99Å; T114-Y204 WeakPolarHBondContact O-CD2 3.48Å; T114-Y204 WeakPolarHBondContact O-CE2 3.33Å
115I77.2Confident90.6Very high93 Ų9337.1 Ų37.148%0.47719%0.19SC..  trans-111.312.9172.660.5170.1000111.4F117 Y204I115-F117 PolarHBondContact O-N 3.4Å; I115-Y204 HydrophobicContact CG2-CE2 4.22Å
116R79.1Confident90.4Very high163 Ų16340.1 Ų40.162%0.61520%0.204SC*.  trans-84.8105.6177.7-68.3176.3178.3-177.90.7108.7T114 N118 E119T114-R116 PolarHBondContact OG1-N 3.13Å; T114-R116 VanDerWaalsContact OG1-N 3.12Å; R116-N118 PolarHBondContact O-N 2.92Å; R116-N118 VanDerWaalsContact O-N 3.08Å; R116-E119 HydrophobicContact CB-CB 4.06Å; R116-E119 WeakPolarHBondContact CD-OE1 3.01Å; R116-E119 IonicContact NH1-OE1 2.66Å; R116-E119 WeakPolarHBondContact O-CB 3.42Å; R116-E119 PolarHBondContact O-N 3.1Å
117F79Confident90.1Very high58 Ų5840.4 Ų40.425%0.25421%0.206SC..THydrogen-bonded Turntrans-65.3-10.4-178.5-58.6-47.1000114.9I115 N202 Y204 V393 L394I115-F117 PolarHBondContact O-N 3.4Å; F117-N202 HydrophobicContact CB-CB 4.31Å; F117-N202 WeakPolarHBondContact O-CB 3.17Å; F117-Y204 AromaticContact CD1-CD1 3.68Å; F117-Y204 HydrophobicContact CD1-CD1 3.68Å; F117-Y204 HydrophobicContact CD1-CE1 4.48Å; F117-Y204 AromaticContact CD1-CG 3.81Å; F117-Y204 HydrophobicContact CD1-CG 3.81Å; F117-Y204 AromaticContact CE1-CD1 3.42Å; F117-Y204 HydrophobicContact CE1-CD1 3.42Å; F117-Y204 VanDerWaalsContact CE1-CD1 3.42Å; F117-Y204 AromaticContact CE1-CE1 3.8Å; F117-Y204 HydrophobicContact CE1-CE1 3.8Å; F117-Y204 AromaticContact CE1-CG 3.94Å; F117-Y204 HydrophobicContact CE1-CG 3.94Å; F117-V393 HydrophobicContact CB-CG1 3.2Å; F117-V393 HydrophobicContact CD2-CG1 3.28Å; F117-V393 HydrophobicContact CE2-CG1 4.36Å; F117-V393 HydrophobicContact CG-CG1 3.6Å; F117-L394 HydrophobicContact CE2-CD2 4.11Å
118N78.1Confident90Very high124 Ų12440.5 Ų40.566%0.66321%0.206SC*.THydrogen-bonded Turntrans-114.818.2179.770.6-46.5000112.7R116R116-N118 PolarHBondContact O-N 2.92Å; R116-N118 VanDerWaalsContact O-N 3.08Å
119E86.9Confident89.8Confident33 Ų3340.5 Ų40.515%0.15421%0.206CC..  trans-74.2139.5179-159.8144.1-108.500110.7T114 R116 D123 T203T114-E119 WeakPolarHBondContact CB-OE2 3.48Å; T114-E119 WeakPolarHBondContact CG2-OE2 3.49Å; T114-E119 PolarHBondContact OG1-OE2 2.94Å; R116-E119 HydrophobicContact CB-CB 4.06Å; R116-E119 WeakPolarHBondContact CD-OE1 3.01Å; R116-E119 IonicContact NH1-OE1 2.66Å; R116-E119 WeakPolarHBondContact O-CB 3.42Å; R116-E119 PolarHBondContact O-N 3.1Å; E119-D123 HydrophobicContact CG-CB 3.74Å; E119-T203 PolarHBondContact O-OG1 2.83Å
120P92.4Very high89.7Confident76 Ų7642 Ų4249%0.49421%0.214SC..  trans-52.2146.6175.2-27.236.6000111.9K122 D123 A124P120-K122 VanDerWaalsContact C-N 3.29Å; P120-K122 PolarHBondContact O-N 2.96Å; P120-D123 PolarHBondContact O-N 2.75Å; P120-A124 PolarHBondContact O-N 3.26Å
121L92.9Very high89.6Confident2 Ų242 Ų421%0.0121%0.214CC..Hα-helixtrans-59.5-38.8-174179.362000112.5A124 M125 V189 T193 L196 T203 Y206 T207L121-A124 PolarHBondContact O-N 3Å; L121-M125 HydrophobicContact CD1-CG 3.92Å; L121-M125 HydrophobicContact CG-CG 4.2Å; L121-M125 VanDerWaalsContact O-CB 3.32Å; L121-M125 WeakPolarHBondContact O-CB 3.27Å; L121-M125 WeakPolarHBondContact O-CG 3.19Å; L121-M125 PolarHBondContact O-N 3.42Å; L121-V189 HydrophobicContact CB-CG1 3.89Å; L121-V189 HydrophobicContact CD2-CG1 4.21Å; L121-V189 HydrophobicContact CG-CG1 4.43Å; L121-T193 HydrophobicContact CB-CG2 4.2Å; L121-T193 HydrophobicContact CD2-CG2 4.43Å; L121-L196 HydrophobicContact CD2-CB 4.5Å; L121-L196 HydrophobicContact CD2-CD1 3.61Å; L121-T203 HydrophobicContact CB-CG2 4.11Å; L121-T203 HydrophobicContact CD1-CG2 4.15Å; L121-Y206 HydrophobicContact CD1-CD1 3.99Å; L121-Y206 HydrophobicContact CD1-CE1 4.22Å; L121-T207 HydrophobicContact CD1-CG2 4.09Å
122K92.9Very high89.7Confident56 Ų5640.9 Ų40.924%0.24321%0.207CC..Hα-helixtrans-57.9-51.2176.4-77.8-167.8173.3-141.10112.1P120 A124 M125 Q126 L181 M184 V189P120-K122 VanDerWaalsContact C-N 3.29Å; P120-K122 PolarHBondContact O-N 2.96Å; K122-A124 VanDerWaalsContact C-N 3.35Å; K122-A124 PolarHBondContact O-N 3.35Å; K122-M125 PolarHBondContact O-N 2.88Å; K122-Q126 WeakPolarHBondContact O-CB 3.36Å; K122-Q126 PolarHBondContact O-N 3.43Å; K122-L181 WeakPolarHBondContact CE-O 3.47Å; K122-L181 HydrophobicContact CG-CD2 4.28Å; K122-L181 PolarHBondContact NZ-O 3.42Å; K122-M184 WeakPolarHBondContact CE-O 3.39Å; K122-M184 PolarHBondContact NZ-O 2.81Å; K122-V189 HydrophobicContact CD-CG2 4.33Å; K122-V189 HydrophobicContact CG-CG1 4.18Å; K122-V189 HydrophobicContact CG-CG2 4.12Å
123D92.4Very high90Very high79 Ų7942.8 Ų42.842%0.42221%0.213SC..Hα-helixtrans-62.7-43.1-179.9-62.1-23000111.4E119 P120 Q126 L127E119-D123 HydrophobicContact CG-CB 3.74Å; P120-D123 PolarHBondContact O-N 2.75Å; D123-Q126 PolarHBondContact O-N 2.89Å; D123-L127 PolarHBondContact O-N 2.93Å; D123-L127 VanDerWaalsContact O-N 3.11Å
124A93.7Very high90.7Very high0 Ų043.9 Ų43.90%021%0.213CC..Hα-helixtrans-63.9-41176.900000111.9T114 P120 L121 K122 N128 T207T114-A124 HydrophobicContact CG2-CB 4.21Å; P120-A124 PolarHBondContact O-N 3.26Å; L121-A124 PolarHBondContact O-N 3Å; K122-A124 VanDerWaalsContact C-N 3.35Å; K122-A124 PolarHBondContact O-N 3.35Å; A124-N128 VanDerWaalsContact O-CB 3.23Å; A124-N128 WeakPolarHBondContact O-CB 3.29Å; A124-N128 PolarHBondContact O-N 3.44Å; A124-T207 HydrophobicContact CB-CG2 3.8Å
125M94.7Very high91.5Very high3 Ų343.5 Ų43.52%0.01521%0.211CC..Hα-helixtrans-65.3-41.8174.8-75.7-69.9-60.100111.7L121 K122 L127 V129 L130 L177 I178 L181 T207 M210L121-M125 HydrophobicContact CD1-CG 3.92Å; L121-M125 HydrophobicContact CG-CG 4.2Å; L121-M125 VanDerWaalsContact O-CB 3.32Å; L121-M125 WeakPolarHBondContact O-CB 3.27Å; L121-M125 WeakPolarHBondContact O-CG 3.19Å; L121-M125 PolarHBondContact O-N 3.42Å; K122-M125 PolarHBondContact O-N 2.88Å; M125-L127 PolarHBondContact O-N 3.35Å; M125-V129 HydrophobicContact CE-CB 3.96Å; M125-V129 HydrophobicContact CE-CG1 3.96Å; M125-V129 HydrophobicContact CE-CG2 3.98Å; M125-V129 WeakPolarHBondContact O-CA 3.3Å; M125-V129 WeakPolarHBondContact O-CB 3.39Å; M125-V129 PolarHBondContact O-N 3.49Å; M125-V129 HydrophobicContact SD-CB 4.24Å; M125-V129 HydrophobicContact SD-CG2 3.66Å; M125-L130 PolarHBondContact O-N 3.36Å; M125-L177 HydrophobicContact CE-CD2 3.97Å; M125-L177 HydrophobicContact CE-CG 4.3Å; M125-L177 HydrophobicContact SD-CD2 4.14Å; M125-I178 HydrophobicContact CE-CG1 4.16Å; M125-L181 HydrophobicContact CB-CD1 4.1Å; M125-L181 HydrophobicContact CE-CD1 4.33Å; M125-L181 HydrophobicContact CG-CD1 3.65Å; M125-T207 HydrophobicContact CG-CG2 3.96Å; M125-T207 HydrophobicContact SD-CG2 3.73Å; M125-M210 HydrophobicContact CE-SD 3.75Å; M125-M210 HydrophobicContact SD-SD 3.93Å
126Q94Very high92.5Very high63 Ų6339.1 Ų39.129%0.29419%0.188SC..Iπ-helixtrans-57.8-49.9178.5-17066.415.700111.3T87 K122 D123 A131T87-Q126 HydrophobicContact CG2-CG 4.2Å; T87-Q126 PolarHBondContact O-NE2 3.47Å; K122-Q126 WeakPolarHBondContact O-CB 3.36Å; K122-Q126 PolarHBondContact O-N 3.43Å; D123-Q126 PolarHBondContact O-N 2.89Å; Q126-A131 PolarHBondContact O-N 2.94Å
127L92.9Very high93.4Very high29 Ų2934 Ų3415%0.15218%0.181CC..Iπ-helixtrans-85.9-33.7-174.3-174.757.8000114.2L86 T87 D123 M125 A131L86-L127 HydrophobicContact CB-CD1 4.26Å; T87-L127 HydrophobicContact CG2-CB 4.3Å; T87-L127 HydrophobicContact CG2-CD1 3.98Å; D123-L127 PolarHBondContact O-N 2.93Å; D123-L127 VanDerWaalsContact O-N 3.11Å; M125-L127 PolarHBondContact O-N 3.35Å; L127-A131 HydrophobicContact CD1-CB 4.48Å; L127-A131 VanDerWaalsContact O-CB 3.29Å; L127-A131 WeakPolarHBondContact O-CB 3.15Å
128N95.6Very high94.3Very high1 Ų131.7 Ų31.71%0.00517%0.171CC..Iπ-helixtrans-92.6-30.2-176.7-66.7-15000112.8A113 T114 A124 T132 T207 A211A113-N128 VanDerWaalsContact CA-OD1 3.27Å; A113-N128 WeakPolarHBondContact CA-OD1 3.22Å; A113-N128 WeakPolarHBondContact CB-OD1 3.38Å; T114-N128 WeakPolarHBondContact CG2-ND2 3.39Å; T114-N128 PolarHBondContact N-OD1 2.99Å; A124-N128 VanDerWaalsContact O-CB 3.23Å; A124-N128 WeakPolarHBondContact O-CB 3.29Å; A124-N128 PolarHBondContact O-N 3.44Å; N128-T132 WeakPolarHBondContact O-CB 3.35Å; N128-T132 PolarHBondContact O-OG1 3.32Å; N128-T207 PolarHBondContact ND2-OG1 3.41Å; N128-A211 WeakPolarHBondContact O-CB 3.46Å
129V95.9Very high95.2Very high0 Ų025.9 Ų25.90%014%0.14CC..Iπ-helixtrans-107.3-59.3-173.7-175.60000111M125 T132 Q133 T207 M210 A211 L214M125-V129 HydrophobicContact CE-CB 3.96Å; M125-V129 HydrophobicContact CE-CG1 3.96Å; M125-V129 HydrophobicContact CE-CG2 3.98Å; M125-V129 WeakPolarHBondContact O-CA 3.3Å; M125-V129 WeakPolarHBondContact O-CB 3.39Å; M125-V129 PolarHBondContact O-N 3.49Å; M125-V129 HydrophobicContact SD-CB 4.24Å; M125-V129 HydrophobicContact SD-CG2 3.66Å; V129-T132 WeakPolarHBondContact O-CB 3.15Å; V129-T132 PolarHBondContact O-N 2.91Å; V129-Q133 PolarHBondContact O-N 3.2Å; V129-T207 WeakPolarHBondContact CG2-O 3.29Å; V129-M210 HydrophobicContact CG1-CG 4.18Å; V129-M210 HydrophobicContact CG2-CB 4.05Å; V129-M210 HydrophobicContact CG2-CG 4.1Å; V129-A211 HydrophobicContact CG2-CB 4.42Å; V129-L214 HydrophobicContact CG1-CD1 3.51Å
130L96.4Very high95.8Very high32 Ų3228.7 Ų28.717%0.16815%0.153CC..Iπ-helixtrans-68.7-40-175.5-69.8172.9000113M125 T132 Q133 K134 I178M125-L130 PolarHBondContact O-N 3.36Å; L130-T132 VanDerWaalsContact C-N 3.31Å; L130-T132 PolarHBondContact O-N 2.74Å; L130-Q133 WeakPolarHBondContact O-CB 3.23Å; L130-Q133 PolarHBondContact O-N 3.42Å; L130-K134 WeakPolarHBondContact O-CG 3.4Å; L130-K134 PolarHBondContact O-N 3.28Å; L130-I178 HydrophobicContact CD2-CB 4.48Å; L130-I178 HydrophobicContact CD2-CD1 3.58Å; L130-I178 HydrophobicContact CD2-CG1 3.79Å; L130-I178 HydrophobicContact CD2-CG2 3.84Å; L130-I178 HydrophobicContact CG-CG1 4.42Å
131A96.3Very high96Very high0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-60.4-41170.600000112.2L86 Q126 L127 Q133 K134 M135L86-A131 HydrophobicContact CB-CB 3.78Å; L86-A131 WeakPolarHBondContact O-CB 3.19Å; Q126-A131 PolarHBondContact O-N 2.94Å; L127-A131 HydrophobicContact CD1-CB 4.48Å; L127-A131 VanDerWaalsContact O-CB 3.29Å; L127-A131 WeakPolarHBondContact O-CB 3.15Å; A131-Q133 VanDerWaalsContact C-N 3.34Å; A131-K134 PolarHBondContact O-N 2.65Å; A131-M135 WeakPolarHBondContact O-CG 3.35Å; A131-M135 PolarHBondContact O-N 3.47Å
132T97.5Very high96.3Very high0 Ų030.9 Ų30.90%015%0.152CC..Hα-helixtrans-63.4-42.9176.4-59.60000110.5H110 N128 V129 L130 K134 M135 V136 V215H110-T132 PolarHBondContact NE2-OG1 3.37Å; N128-T132 WeakPolarHBondContact O-CB 3.35Å; N128-T132 PolarHBondContact O-OG1 3.32Å; V129-T132 WeakPolarHBondContact O-CB 3.15Å; V129-T132 PolarHBondContact O-N 2.91Å; L130-T132 VanDerWaalsContact C-N 3.31Å; L130-T132 PolarHBondContact O-N 2.74Å; T132-K134 PolarHBondContact O-N 2.9Å; T132-M135 WeakPolarHBondContact O-CB 3.44Å; T132-M135 PolarHBondContact O-N 2.9Å; T132-V136 WeakPolarHBondContact O-CG2 3.41Å; T132-V136 PolarHBondContact O-N 3.13Å; T132-V215 HydrophobicContact CG2-CG2 3.36Å
133Q97.4Very high96.5Very high50 Ų5035.1 Ų35.123%0.23417%0.171CC..Hα-helixtrans-56.4-49.8174.2179.6169.451.500112.2V129 L130 A131 M135 V136 A137 L214 E218V129-Q133 PolarHBondContact O-N 3.2Å; L130-Q133 WeakPolarHBondContact O-CB 3.23Å; L130-Q133 PolarHBondContact O-N 3.42Å; A131-Q133 VanDerWaalsContact C-N 3.34Å; Q133-M135 VanDerWaalsContact C-N 3.31Å; Q133-M135 PolarHBondContact O-N 2.89Å; Q133-V136 PolarHBondContact O-N 2.72Å; Q133-A137 PolarHBondContact O-N 3.1Å; Q133-L214 HydrophobicContact CB-CD1 3.87Å; Q133-L214 HydrophobicContact CB-CD2 3.75Å; Q133-L214 HydrophobicContact CB-CG 4.47Å; Q133-L214 HydrophobicContact CG-CD1 4.38Å; Q133-L214 HydrophobicContact CG-CD2 4.24Å; Q133-E218 VanDerWaalsContact CG-OE2 3.29Å; Q133-E218 WeakPolarHBondContact CG-OE2 3.46Å; Q133-E218 VanDerWaalsContact NE2-CD 3.34Å; Q133-E218 PolarHBondContact NE2-OE1 2.76Å; Q133-E218 PolarHBondContact NE2-OE2 2.87Å
134K97.6Very high96.7Very high51 Ų5136.1 Ų36.122%0.22217%0.173CC..Hα-helixtrans-62.2-38.1177.2-68.9169.9-175.8173.10112.2L88 L91 L130 A131 T132 A137 L138L88-K134 PolarHBondContact O-NZ 3.42Å; L91-K134 HydrophobicContact CD1-CB 4.45Å; L91-K134 HydrophobicContact CD2-CB 3.48Å; L91-K134 VanDerWaalsContact CD2-CB 3.48Å; L91-K134 HydrophobicContact CD2-CD 4.07Å; L91-K134 HydrophobicContact CD2-CG 4.44Å; L91-K134 HydrophobicContact CG-CB 3.9Å; L130-K134 WeakPolarHBondContact O-CG 3.4Å; L130-K134 PolarHBondContact O-N 3.28Å; A131-K134 PolarHBondContact O-N 2.65Å; T132-K134 PolarHBondContact O-N 2.9Å; K134-A137 WeakPolarHBondContact O-CB 3.34Å; K134-A137 PolarHBondContact O-N 3.23Å; K134-L138 PolarHBondContact O-N 3.27Å
135M98.2Very high96.9Very high0 Ų037.4 Ų37.40%018%0.18CC..Hα-helixtrans-65.1-38.4174.3-75.4-62.4-46.400112.6L14 T16 L43 L86 L91 V108 A131 T132 Q133 L138 A139 F148L14-M135 HydrophobicContact CD2-CE 3.92Å; T16-M135 HydrophobicContact CG2-CE 3.82Å; T16-M135 HydrophobicContact CG2-SD 3.94Å; L43-M135 HydrophobicContact CD1-SD 4.1Å; L86-M135 HydrophobicContact CD2-SD 4.16Å; L91-M135 HydrophobicContact CD1-CG 4.3Å; L91-M135 HydrophobicContact CD1-SD 3.48Å; L91-M135 WeakPolarHBondContact CD1-SD 3.35Å; L91-M135 HydrophobicContact CD2-CG 4.25Å; L91-M135 HydrophobicContact CD2-SD 4.22Å; L91-M135 HydrophobicContact CG-SD 4.48Å; V108-M135 HydrophobicContact CG1-CE 4.08Å; A131-M135 WeakPolarHBondContact O-CG 3.35Å; A131-M135 PolarHBondContact O-N 3.47Å; T132-M135 WeakPolarHBondContact O-CB 3.44Å; T132-M135 PolarHBondContact O-N 2.9Å; Q133-M135 VanDerWaalsContact C-N 3.31Å; Q133-M135 PolarHBondContact O-N 2.89Å; M135-L138 PolarHBondContact O-N 2.76Å; M135-A139 VanDerWaalsContact O-CB 3.29Å; M135-A139 WeakPolarHBondContact O-CB 3.42Å; M135-A139 PolarHBondContact O-N 3.41Å; M135-F148 HydrophobicContact CB-CE2 4.09Å; M135-F148 HydrophobicContact CB-CZ 4.06Å
136V98.2Very high97Very high2 Ų238.5 Ų38.51%0.01218%0.184CC..Hα-helixtrans-65-41.8172.8171.40000110.4T132 Q133 L138 A139 H140 F148 V215 E218 L222T132-V136 WeakPolarHBondContact O-CG2 3.41Å; T132-V136 PolarHBondContact O-N 3.13Å; Q133-V136 PolarHBondContact O-N 2.72Å; V136-L138 PolarHBondContact O-N 3.23Å; V136-A139 WeakPolarHBondContact O-CB 3.43Å; V136-A139 PolarHBondContact O-N 3.01Å; V136-H140 PolarHBondContact O-CD2 2.83Å; V136-H140 PolarHBondContact O-N 2.99Å; V136-F148 HydrophobicContact CG2-CE1 4.16Å; V136-F148 HydrophobicContact CG2-CZ 4.07Å; V136-V215 HydrophobicContact CG2-CG2 4.14Å; V136-E218 HydrophobicContact CG1-CB 4.28Å; V136-L222 HydrophobicContact CG1-CD1 4.13Å
137A97.8Very high97.2Very high56 Ų5635.5 Ų35.546%0.46317%0.17SC..Hα-helixtrans-61.8-42.6175.300000112.6Q133 K134 A139 H140Q133-A137 PolarHBondContact O-N 3.1Å; K134-A137 WeakPolarHBondContact O-CB 3.34Å; K134-A137 PolarHBondContact O-N 3.23Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A137-H140 PolarHBondContact O-N 3.2Å
138L98.1Very high97.4Very high9 Ų934.1 Ų34.15%0.04716%0.163CC..Hα-helixtrans-63.3-41.2172.6-179.863.6000111.4L91 L93 L101 K134 M135 V136 H140 R141 M142L91-L138 HydrophobicContact CD1-CB 4.29Å; L91-L138 HydrophobicContact CD1-CD2 3.88Å; L93-L138 HydrophobicContact CD1-CD2 3.82Å; L101-L138 HydrophobicContact CD1-CD2 4.29Å; K134-L138 PolarHBondContact O-N 3.27Å; M135-L138 PolarHBondContact O-N 2.76Å; V136-L138 PolarHBondContact O-N 3.23Å; L138-H140 VanDerWaalsContact C-N 3.3Å; L138-H140 PolarHBondContact O-N 2.96Å; L138-R141 WeakPolarHBondContact O-CB 3.25Å; L138-R141 PolarHBondContact O-N 2.96Å; L138-M142 HydrophobicContact CD2-CE 4.29Å; L138-M142 HydrophobicContact CG-CE 4.15Å; L138-M142 PolarHBondContact O-N 3.16Å
139A98.2Very high97.6Very high1 Ų134.1 Ų34.11%0.00816%0.163CC..Hα-helixtrans-61.5-35.2178.300000112.9M135 V136 A137 R141 M142 L145 F148 L222M135-A139 VanDerWaalsContact O-CB 3.29Å; M135-A139 WeakPolarHBondContact O-CB 3.42Å; M135-A139 PolarHBondContact O-N 3.41Å; V136-A139 WeakPolarHBondContact O-CB 3.43Å; V136-A139 PolarHBondContact O-N 3.01Å; A137-A139 VanDerWaalsContact C-N 3.34Å; A139-R141 PolarHBondContact O-N 2.97Å; A139-M142 WeakPolarHBondContact O-CB 3.38Å; A139-M142 PolarHBondContact O-N 2.71Å; A139-M142 VanDerWaalsContact O-N 3.08Å; A139-L145 HydrophobicContact CB-CD2 3.62Å; A139-L145 WeakPolarHBondContact O-CD2 3.31Å; A139-F148 HydrophobicContact CB-CD2 3.69Å; A139-F148 HydrophobicContact CB-CE2 4.11Å; A139-L222 HydrophobicContact CB-CD1 3.84Å
140H98.1Very high97.7Very high93 Ų9334.1 Ų34.143%0.43116%0.163SC..Hα-helixtrans-62.6-25.1173-79.8-67.4000113.8V136 A137 L138 E218 C219V136-H140 PolarHBondContact O-CD2 2.83Å; V136-H140 PolarHBondContact O-N 2.99Å; A137-H140 PolarHBondContact O-N 3.2Å; L138-H140 VanDerWaalsContact C-N 3.3Å; L138-H140 PolarHBondContact O-N 2.96Å; H140-E218 PolarHBondContact NE2-O 3.29Å; H140-C219 PolarHBondContact CE1-O 2.77Å
141R97.7Very high97.8Very high110 Ų11033 Ų3342%0.41516%0.158SC..Hα-helixtrans-83.3-13.4176.4-63.2169.659.8-170.1-3.9112.5A102 L138 A139 K143A102-R141 HydrophobicContact CB-CB 4.24Å; L138-R141 WeakPolarHBondContact O-CB 3.25Å; L138-R141 PolarHBondContact O-N 2.96Å; A139-R141 PolarHBondContact O-N 2.97Å; R141-K143 PolarHBondContact O-N 3Å
142M98.3Very high97.9Very high14 Ų1433.2 Ų33.27%0.06916%0.159CC..  trans-75.8115.4-175.7-68.6174.4172.600112L14 L101 A102 I105 V108 L138 A139 H144 L145L14-M142 HydrophobicContact CD2-CE 3.73Å; L101-M142 HydrophobicContact CB-CE 4.46Å; A102-M142 CarbonylContact O-C 3.56Å; A102-M142 VanDerWaalsContact O-CA 3.27Å; A102-M142 WeakPolarHBondContact O-CA 3.27Å; I105-M142 HydrophobicContact CB-CE 3.91Å; I105-M142 HydrophobicContact CB-CG 4.46Å; I105-M142 HydrophobicContact CB-SD 3.85Å; I105-M142 HydrophobicContact CG1-CE 4.09Å; I105-M142 HydrophobicContact CG2-CE 3.89Å; I105-M142 HydrophobicContact CG2-SD 3.69Å; V108-M142 HydrophobicContact CG2-CE 3.86Å; V108-M142 HydrophobicContact CG2-SD 3.63Å; L138-M142 HydrophobicContact CD2-CE 4.29Å; L138-M142 HydrophobicContact CG-CE 4.15Å; L138-M142 PolarHBondContact O-N 3.16Å; A139-M142 WeakPolarHBondContact O-CB 3.38Å; A139-M142 PolarHBondContact O-N 2.71Å; A139-M142 VanDerWaalsContact O-N 3.08Å; M142-H144 VanDerWaalsContact C-N 3.31Å; M142-H144 PolarHBondContact O-N 3.14Å; M142-L145 HydrophobicContact CB-CB 3.69Å; M142-L145 HydrophobicContact CB-CD2 4.31Å; M142-L145 HydrophobicContact SD-CB 4.46Å; M142-L145 HydrophobicContact SD-CD1 4.01Å; M142-L145 HydrophobicContact SD-CD2 4.11Å; M142-L145 HydrophobicContact SD-CG 4.45Å
143K97.6Very high97.9Very high145 Ų14533.4 Ų33.463%0.6316%0.16SC*.THydrogen-bonded Turntrans-69.2-26.6-173.2-64.2173.9-178.1163.50113.7A102 D103 R141A102-K143 PolarHBondContact O-N 2.71Å; D103-K143 WeakPolarHBondContact OD1-CD 3.41Å; D103-K143 WeakPolarHBondContact OD1-CE 3.28Å; D103-K143 IonicContact OD1-NZ 3.64Å; D103-K143 PolarHBondContact OD1-NZ 2.87Å; D103-K143 IonicContact OD2-NZ 3.47Å; R141-K143 PolarHBondContact O-N 3Å
144H97.6Very high97.8Very high99 Ų9931 Ų3146%0.45815%0.149SC..THydrogen-bonded Turntrans-118.89.2-172.3-58.5-44.9000114D103 I105 N106 M142 E146D103-H144 PolarHBondContact O-CD2 2.82Å; I105-H144 CarbonylContact O-C 3.55Å; N106-H144 PolarHBondContact ND2-O 2.8Å; M142-H144 VanDerWaalsContact C-N 3.31Å; M142-H144 PolarHBondContact O-N 3.14Å; H144-E146 PolarHBondContact O-N 3.4Å
145L97.8Very high97.8Very high28 Ų2829.1 Ų29.115%0.14714%0.141CC..  trans-62.1120.8-175.8-176.164000111.5I105 V108 A139 M142 V147 F148 L222I105-L145 PolarHBondContact O-N 2.76Å; V108-L145 HydrophobicContact CB-CD1 4.41Å; V108-L145 HydrophobicContact CG2-CD1 3.73Å; A139-L145 HydrophobicContact CB-CD2 3.62Å; A139-L145 WeakPolarHBondContact O-CD2 3.31Å; M142-L145 HydrophobicContact CB-CB 3.69Å; M142-L145 HydrophobicContact CB-CD2 4.31Å; M142-L145 HydrophobicContact SD-CB 4.46Å; M142-L145 HydrophobicContact SD-CD1 4.01Å; M142-L145 HydrophobicContact SD-CD2 4.11Å; M142-L145 HydrophobicContact SD-CG 4.45Å; L145-V147 VanDerWaalsContact CD1-O 3.31Å; L145-V147 WeakPolarHBondContact CD1-O 3.49Å; L145-F148 HydrophobicContact CD2-CB 4.47Å; L145-L222 HydrophobicContact CD2-CD2 3.88Å
146E96.5Very high97.6Very high25 Ų2529.1 Ų29.112%0.11714%0.141CC..  trans-94.9-34.7176.5-20.4-146.2131.900112.1Y7 K11 N106 H144 N223 R296Y7-E146 WeakPolarHBondContact CE2-OE2 2.79Å; Y7-E146 PolarHBondContact OH-OE2 3.3Å; K11-E146 VanDerWaalsContact CE-CD 3.42Å; K11-E146 WeakPolarHBondContact CE-OE1 3.46Å; K11-E146 WeakPolarHBondContact CE-OE2 3.15Å; K11-E146 IonicContact NZ-OE1 3.52Å; K11-E146 IonicContact NZ-OE2 2.63Å; K11-E146 PolarHBondContact NZ-OE2 3.5Å; N106-E146 HydrophobicContact CB-CG 3.95Å; N106-E146 VanDerWaalsContact O-CG 3.22Å; N106-E146 WeakPolarHBondContact O-CG 3.13Å; N106-E146 PolarHBondContact O-N 3.42Å; H144-E146 PolarHBondContact O-N 3.4Å; E146-N223 WeakPolarHBondContact O-CB 3.36Å; E146-N223 PolarHBondContact O-ND2 3.49Å; E146-R296 VanDerWaalsContact CB-NH2 3.3Å; E146-R296 IonicContact OE1-CZ 3.59Å; E146-R296 IonicContact OE1-NE 3.93Å; E146-R296 IonicContact OE1-NH2 3.63Å; E146-R296 PolarHBondContact OE1-NH2 3.3Å; E146-R296 IonicContact OE2-NH2 2.89Å
147V96.9Very high97.5Very high0 Ų029.2 Ų29.20%014%0.141CC..EExtended strand (participates in β ladder)trans-157.4135.7-177.566.10000111.9V107 V108 L145 N223 A289V107-V147 HydrophobicContact CB-CG1 4.33Å; V107-V147 HydrophobicContact CG1-CG1 3.79Å; V107-V147 HydrophobicContact CG2-CG1 4.09Å; V108-V147 PolarHBondContact N-O 2.89Å; L145-V147 VanDerWaalsContact CD1-O 3.31Å; L145-V147 WeakPolarHBondContact CD1-O 3.49Å; V147-N223 CarbonylContact C-O 3.42Å; V147-N223 WeakPolarHBondContact CA-O 3.2Å; V147-A289 HydrophobicContact CG1-CB 4Å
148F98.1Very high97.3Very high1 Ų126.6 Ų26.60%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-108.2107.8166.6-176.9-83.2000108.7V108 H110 M135 V136 A139 L145 H150 N223 V224 A225V108-F148 HydrophobicContact CB-CD2 3.72Å; V108-F148 HydrophobicContact CB-CE2 4.28Å; V108-F148 HydrophobicContact CB-CG 4.4Å; V108-F148 HydrophobicContact CG1-CD2 3.61Å; V108-F148 HydrophobicContact CG1-CE2 3.64Å; V108-F148 HydrophobicContact CG2-CD2 4.21Å; H110-F148 HydrophobicContact CB-CE1 4.28Å; H110-F148 HydrophobicContact CB-CE2 4.49Å; H110-F148 HydrophobicContact CB-CZ 3.87Å; M135-F148 HydrophobicContact CB-CE2 4.09Å; M135-F148 HydrophobicContact CB-CZ 4.06Å; V136-F148 HydrophobicContact CG2-CE1 4.16Å; V136-F148 HydrophobicContact CG2-CZ 4.07Å; A139-F148 HydrophobicContact CB-CD2 3.69Å; A139-F148 HydrophobicContact CB-CE2 4.11Å; L145-F148 HydrophobicContact CD2-CB 4.47Å; F148-H150 HydrophobicContact CE1-CB 4.25Å; F148-N223 PolarHBondContact N-O 3.17Å; F148-V224 HydrophobicContact CB-CG2 4.36Å; F148-V224 HydrophobicContact CD1-CG1 4.46Å; F148-V224 HydrophobicContact CD1-CG2 4.5Å; F148-V224 VanDerWaalsContact O-CA 3.28Å; F148-V224 WeakPolarHBondContact O-CA 3.38Å; F148-A225 PolarHBondContact O-N 3.22Å
149L98.4Very high97.1Very high0 Ų029.1 Ų29.10%013%0.133CC..EExtended strand (participates in β ladder)trans-98.7122177.9-170.4153000110.1V108 F109 H110 V151 A225 I227 T285 A288 A289V108-L149 PolarHBondContact O-N 3.48Å; F109-L149 HydrophobicContact CD1-CB 3.98Å; F109-L149 HydrophobicContact CD1-CD1 4.27Å; F109-L149 HydrophobicContact CD1-CD2 4.17Å; F109-L149 HydrophobicContact CD1-CG 4.36Å; F109-L149 HydrophobicContact CE1-CB 4.36Å; F109-L149 HydrophobicContact CE1-CD1 4.08Å; H110-L149 PolarHBondContact N-O 3.1Å; L149-V151 HydrophobicContact CD2-CG2 3.86Å; L149-A225 WeakPolarHBondContact CA-O 3.4Å; L149-A225 HydrophobicContact CD1-CB 4.49Å; L149-A225 HydrophobicContact CG-CB 4.42Å; L149-I227 HydrophobicContact CD1-CD1 4.48Å; L149-I227 HydrophobicContact CD1-CG1 3.93Å; L149-I227 HydrophobicContact CD2-CB 4.4Å; L149-I227 HydrophobicContact CD2-CG1 3.77Å; L149-I227 HydrophobicContact CG-CG1 4.12Å; L149-T285 HydrophobicContact CD1-CG2 3.86Å; L149-T285 VanDerWaalsContact CD1-O 3.24Å; L149-T285 WeakPolarHBondContact CD1-O 3.38Å; L149-T285 HydrophobicContact CD2-CG2 3.7Å; L149-T285 HydrophobicContact CG-CG2 4.42Å; L149-A288 HydrophobicContact CD1-CB 4.07Å; L149-A289 HydrophobicContact CD1-CB 3.96Å
150H98.6Very high97Very high1 Ų134.1 Ų34.11%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-100.3127175.3-178.560.4000111.4H110 F148 A225 I226 I227H110-H150 AromaticContact CD2-CE1 3.86Å; H110-H150 AromaticContact CD2-ND1 3.43Å; H110-H150 PolarHBondContact CD2-ND1 2.94Å; F148-H150 HydrophobicContact CE1-CB 4.25Å; H150-A225 PolarHBondContact N-O 2.91Å; H150-I226 HydrophobicContact CB-CG1 4.33Å; H150-I226 WeakPolarHBondContact O-CA 3.3Å; H150-I227 PolarHBondContact O-N 3.29Å
151V98.4Very high96.7Very high9 Ų935.2 Ų35.26%0.05517%0.165CC..EExtended strand (participates in β ladder)trans-92.1113.2172.1-1770000109.8M22 H110 C111 L149 K208 P229M22-V151 HydrophobicContact CE-CG1 3.94Å; H110-V151 PolarHBondContact O-N 2.88Å; C111-V151 HydrophobicContact CB-CG2 4.29Å; C111-V151 VanDerWaalsContact SG-CG2 3.55Å; L149-V151 HydrophobicContact CD2-CG2 3.86Å; V151-K208 PolarHBondContact O-NZ 3.25Å; V151-P229 HydrophobicContact CG1-CG 4.2Å
152S98.1Very high96.7Very high3 Ų334 Ų342%0.02117%0.166CC..  trans-103.4-138.6174.1-172.40000110.5E212 I227 P229S152-E212 WeakPolarHBondContact CB-OE1 3.35Å; S152-E212 VanDerWaalsContact OG-CD 3.3Å; S152-E212 WeakPolarHBondContact OG-CG 3.38Å; S152-E212 PolarHBondContact OG-OE1 2.94Å; S152-I227 PolarHBondContact N-O 3.5Å; S152-P229 WeakPolarHBondContact O-CD 3.48Å
153T97.3Very high96.6Very high5 Ų533.3 Ų33.33%0.03116%0.163CC..  trans-153.9144.9175.5-178.70000109.8Y155 A156 Y204 K208 P229T153-Y155 PolarHBondContact O-N 3.11Å; T153-Y155 VanDerWaalsContact O-N 3.14Å; T153-Y155 PolarHBondContact OG1-N 3.43Å; T153-A156 HydrophobicContact CG2-CB 4.1Å; T153-A156 VanDerWaalsContact O-CB 3.28Å; T153-A156 WeakPolarHBondContact O-CB 3.12Å; T153-A156 PolarHBondContact O-N 2.85Å; T153-Y204 HydrophobicContact CG2-CE1 3.72Å; T153-K208 HydrophobicContact CG2-CB 3.91Å; T153-K208 HydrophobicContact CG2-CG 3.95Å; T153-P229 CarbonylContact C-O 3.49Å; T153-P229 WeakPolarHBondContact CA-O 3.25Å; T153-P229 PolarHBondContact OG1-O 3.47Å
154A97.1Very high96.6Very high0 Ų030.7 Ų30.70%015%0.153CC..G310 helixtrans-54.8-32.6173.300000111A156 P229 T309 W404A154-A156 PolarHBondContact O-N 3.08Å; A154-P229 PolarHBondContact N-O 3.48Å; A154-T309 HydrophobicContact CB-CG2 3.7Å; A154-W404 HydrophobicContact CB-CD2 4.44Å; A154-W404 HydrophobicContact CB-CE3 4.07Å; A154-W404 HydrophobicContact CB-CH2 3.94Å; A154-W404 HydrophobicContact CB-CZ2 4.25Å; A154-W404 HydrophobicContact CB-CZ3 3.84Å; A154-W404 WeakPolarHBondContact O-CH2 3.1Å; A154-W404 WeakPolarHBondContact O-CZ3 3.28Å
155Y95.9Very high96.6Very high10 Ų1026.7 Ų26.74%0.03913%0.134CC..G310 helixtrans-78.82.9-179.1-58.7-74.5000115.1T153 N157 C158 T205 I231 D274 F397 W402 W404T153-Y155 PolarHBondContact O-N 3.11Å; T153-Y155 VanDerWaalsContact O-N 3.14Å; T153-Y155 PolarHBondContact OG1-N 3.43Å; Y155-N157 PolarHBondContact O-N 2.82Å; Y155-N157 VanDerWaalsContact O-N 3.17Å; Y155-C158 HydrophobicContact CD1-CB 4.08Å; Y155-C158 WeakPolarHBondContact O-CB 3.3Å; Y155-C158 PolarHBondContact O-N 3.3Å; Y155-C158 PolarHBondContact O-SG 3.5Å; Y155-T205 WeakPolarHBondContact O-CB 3.37Å; Y155-T205 VanDerWaalsContact O-CG2 3.28Å; Y155-T205 WeakPolarHBondContact O-CG2 3.41Å; Y155-I231 HydrophobicContact CE2-CG1 3.69Å; Y155-I231 WeakPolarHBondContact OH-CG1 3.21Å; Y155-D274 WeakPolarHBondContact OH-CB 3.35Å; Y155-F397 AromaticContact CD1-CD1 3.5Å; Y155-F397 HydrophobicContact CD1-CD1 3.5Å; Y155-F397 AromaticContact CD1-CE1 3.52Å; Y155-F397 HydrophobicContact CD1-CE1 3.52Å; Y155-F397 HydrophobicContact CD2-CE1 4.47Å; Y155-F397 AromaticContact CE1-CD1 3.68Å; Y155-F397 HydrophobicContact CE1-CD1 3.68Å; Y155-F397 HydrophobicContact CE1-CE1 4.18Å; Y155-F397 AromaticContact CG-CD1 3.99Å; Y155-F397 HydrophobicContact CG-CD1 3.99Å; Y155-F397 AromaticContact CG-CE1 3.68Å; Y155-F397 HydrophobicContact CG-CE1 3.68Å; Y155-W402 HydrophobicContact CD1-CE3 4.44Å; Y155-W402 HydrophobicContact CD1-CH2 4.49Å; Y155-W402 HydrophobicContact CD1-CZ3 4.4Å; Y155-W402 HydrophobicContact CE1-CD2 4.27Å; Y155-W402 AromaticContact CE1-CE3 3.74Å; Y155-W402 HydrophobicContact CE1-CE3 3.74Å; Y155-W402 HydrophobicContact CE1-CH2 4.17Å; Y155-W402 AromaticContact CE1-CZ3 3.69Å; Y155-W402 HydrophobicContact CE1-CZ3 3.69Å; Y155-W404 HydrophobicContact CD1-CH2 4.04Å; Y155-W404 HydrophobicContact CD1-CZ2 4.3Å; Y155-W404 HydrophobicContact CE1-CH2 4.15Å; Y155-W404 AromaticContact CE1-CZ2 3.93Å; Y155-W404 HydrophobicContact CE1-CZ2 3.93Å
156A95.6Very high96.5Very high0 Ų028.4 Ų28.40%015%0.146CC..G310 helixtrans-55.1-37177.700000110.4T153 A154 R200 K208 A209T153-A156 HydrophobicContact CG2-CB 4.1Å; T153-A156 VanDerWaalsContact O-CB 3.28Å; T153-A156 WeakPolarHBondContact O-CB 3.12Å; T153-A156 PolarHBondContact O-N 2.85Å; A154-A156 PolarHBondContact O-N 3.08Å; A156-R200 PolarHBondContact O-NH1 3.37Å; A156-R200 PolarHBondContact O-NH2 3.26Å; A156-K208 HydrophobicContact CB-CB 4.2Å; A156-A209 HydrophobicContact CB-CB 4.17Å; A156-A209 WeakPolarHBondContact O-CB 3.49Å
157N95.3Very high96.5Very high4 Ų427.9 Ų27.92%0.02115%0.145CC..G310 helixtrans-115.734.4-179.4-62.9-73.5000112.8Y155 D159 R160 I163 Y168 R200Y155-N157 PolarHBondContact O-N 2.82Å; Y155-N157 VanDerWaalsContact O-N 3.17Å; N157-D159 VanDerWaalsContact C-OD1 3.22Å; N157-D159 PolarHBondContact O-N 3.38Å; N157-D159 VanDerWaalsContact O-N 3.1Å; N157-R160 WeakPolarHBondContact O-CB 3.41Å; N157-R160 PolarHBondContact O-N 2.93Å; N157-R160 VanDerWaalsContact O-N 3.1Å; N157-I163 HydrophobicContact CB-CG1 4.35Å; N157-I163 HydrophobicContact CB-CG2 4.44Å; N157-Y168 HydrophobicContact CB-CD2 4.04Å; N157-Y168 HydrophobicContact CB-CE2 4.36Å; N157-Y168 VanDerWaalsContact CG-CD2 3.48Å; N157-Y168 WeakPolarHBondContact ND2-CD2 3.49Å; N157-R200 PolarHBondContact OD1-NH2 2.93Å
158C94.7Very high96.5Very high1 Ų128.9 Ų28.91%0.00715%0.148CC..THydrogen-bonded Turntrans-67.3-6-177.562.40000115.6Y155 R160 P201 Y396 W402Y155-C158 HydrophobicContact CD1-CB 4.08Å; Y155-C158 WeakPolarHBondContact O-CB 3.3Å; Y155-C158 PolarHBondContact O-N 3.3Å; Y155-C158 PolarHBondContact O-SG 3.5Å; C158-R160 PolarHBondContact O-N 3.42Å; C158-P201 VanDerWaalsContact SG-CD 3.54Å; C158-Y396 HydrophobicContact CB-CE1 4.17Å; C158-Y396 PolarHBondContact O-OH 3.18Å; C158-W402 HydrophobicContact CB-CZ2 4.02Å; C158-W402 PolarHBondContact O-NE1 2.76Å
159D93.9Very high96.2Very high62 Ų6232.9 Ų32.933%0.33218%0.175SC..THydrogen-bonded Turntrans-73.2-8.2170.363.6-40.9000113N157 K199 R200N157-D159 VanDerWaalsContact C-OD1 3.22Å; N157-D159 PolarHBondContact O-N 3.38Å; N157-D159 VanDerWaalsContact O-N 3.1Å; D159-K199 HydrophobicContact CB-CB 4.13Å; D159-R200 HydrophobicContact CB-CG 4.42Å; D159-R200 IonicContact OD1-CZ 3.07Å; D159-R200 IonicContact OD1-NH1 3.13Å; D159-R200 PolarHBondContact OD1-NH1 2.75Å; D159-R200 IonicContact OD1-NH2 2.74Å; D159-R200 PolarHBondContact OD1-NH2 3.42Å; D159-R200 IonicContact OD2-CZ 3.51Å; D159-R200 IonicContact OD2-NH1 2.85Å; D159-R200 IonicContact OD2-NH2 3.39Å; D159-R200 PolarHBondContact OD2-NH2 2.85Å
160R94.6Very high95.7Very high106 Ų10634.1 Ų34.140%0.418%0.182SC..SBendtrans-104.3156.7173.6-58.4174.5178.8-100.1-2.4109.9N157 C158 I163 W402N157-R160 WeakPolarHBondContact O-CB 3.41Å; N157-R160 PolarHBondContact O-N 2.93Å; N157-R160 VanDerWaalsContact O-N 3.1Å; C158-R160 PolarHBondContact O-N 3.42Å; R160-I163 HydrophobicContact CB-CG1 4.44Å; R160-W402 PolarHBondContact O-NE1 3.31Å
161T92.9Very high94.9Very high116 Ų11639.1 Ų39.171%0.71222%0.215SC*.SBendtrans-85.8-45174.949.30000112V403T161-V403 PolarHBondContact O-N 3.23Å
162L96.4Very high94.4Very high85 Ų8541 Ų4145%0.44523%0.227SC..EExtended strand (participates in β ladder)trans-100126.8171.5175.864000109.3E164 V403L162-E164 HydrophobicContact CD2-CG 4.45Å; L162-E164 HydrophobicContact CG-CG 4.33Å; L162-V403 WeakPolarHBondContact CA-O 3.12Å; L162-V403 HydrophobicContact CD1-CB 4.06Å; L162-V403 HydrophobicContact CD1-CG1 3.77Å
163I96.9Very high94Very high0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-118.6113.9175.6-61.684.8000108.2N157 R160 Y168 N307 W402 V403 W404 N405N157-I163 HydrophobicContact CB-CG1 4.35Å; N157-I163 HydrophobicContact CB-CG2 4.44Å; R160-I163 HydrophobicContact CB-CG1 4.44Å; I163-Y168 HydrophobicContact CG2-CE2 4.31Å; I163-N307 PolarHBondContact O-ND2 3.45Å; I163-W402 HydrophobicContact CD1-CB 4.04Å; I163-W402 HydrophobicContact CD1-CG 4.09Å; I163-V403 PolarHBondContact N-O 2.97Å; I163-W404 HydrophobicContact CB-CE3 3.63Å; I163-W404 HydrophobicContact CB-CZ3 3.7Å; I163-W404 HydrophobicContact CD1-CE3 3.87Å; I163-W404 HydrophobicContact CD1-CH2 4.02Å; I163-W404 HydrophobicContact CD1-CZ3 3.42Å; I163-W404 VanDerWaalsContact CD1-CZ3 3.42Å; I163-W404 HydrophobicContact CG1-CE3 4Å; I163-W404 HydrophobicContact CG1-CZ3 3.56Å; I163-W404 HydrophobicContact CG2-CE3 4.06Å; I163-W404 HydrophobicContact CG2-CZ3 4.05Å; I163-N405 PolarHBondContact O-N 3.27Å
164E97.3Very high93.7Very high90 Ų9044.3 Ų44.342%0.42124%0.243SC..  trans-87.6165176.9-56.2178.4109.600111.1L162 V166 Y168 R228L162-E164 HydrophobicContact CD2-CG 4.45Å; L162-E164 HydrophobicContact CG-CG 4.33Å; E164-V166 HydrophobicContact CB-CG2 4.13Å; E164-V166 PolarHBondContact O-N 3.22Å; E164-Y168 WeakPolarHBondContact CA-OH 3.29Å; E164-Y168 VanDerWaalsContact CB-OH 3.25Å; E164-Y168 WeakPolarHBondContact CB-OH 3.42Å; E164-Y168 PolarHBondContact N-OH 3.4Å; E164-R228 PolarHBondContact O-NH1 2.7Å
165E97Very high93.5Very high14 Ų1449.7 Ų49.77%0.06527%0.267CS..SBendtrans-82.451.8176.2-73.7-17814100111.8V305 Y306 N307 N405 D407 N408E165-V305 HydrophobicContact CB-CB 4.26Å; E165-V305 VanDerWaalsContact CB-O 3.28Å; E165-V305 WeakPolarHBondContact CB-O 3.34Å; E165-V305 WeakPolarHBondContact CG-O 3.37Å; E165-Y306 WeakPolarHBondContact OE1-CA 3.09Å; E165-N307 HydrophobicContact CG-CB 4.09Å; E165-N307 WeakPolarHBondContact CG-ND2 3.19Å; E165-N307 PolarHBondContact OE1-N 2.83Å; E165-N405 WeakPolarHBondContact CG-O 3.31Å; E165-D407 PolarHBondContact OE2-N 2.83Å; E165-D407 VanDerWaalsContact OE2-N 3.12Å; E165-N408 WeakPolarHBondContact CB-ND2 3.5Å; E165-N408 WeakPolarHBondContact OE2-CA 3.17Å; E165-N408 WeakPolarHBondContact OE2-CB 3.2Å; E165-N408 VanDerWaalsContact OE2-CG 3.31Å; E165-N408 PolarHBondContact OE2-N 3.46Å; E165-N408 PolarHBondContact OE2-ND2 2.8Å
166V96.7Very high93.4Very high64 Ų6456 Ų5639%0.38829%0.294SS..SBendtrans-128.8156.9175.4-56.90000110.2E164 Y168 R228E164-V166 HydrophobicContact CB-CG2 4.13Å; E164-V166 PolarHBondContact O-N 3.22Å; V166-Y168 HydrophobicContact CG2-CD1 4.31Å; V166-Y168 HydrophobicContact CG2-CD2 4.36Å; V166-Y168 HydrophobicContact CG2-CE1 3.8Å; V166-Y168 HydrophobicContact CG2-CE2 3.89Å; V166-R228 PolarHBondContact O-NH1 3.16Å; V166-R228 PolarHBondContact O-NH2 3.01Å
167V96.9Very high93.2Very high15 Ų1556.3 Ų56.39%0.09130%0.296CS..PPolyproline II helixtrans-82.1127.4170.2179.60000108.8E212 Y213 Q216 I226 V305V167-E212 HydrophobicContact CG1-CB 4.1Å; V167-Y213 HydrophobicContact CG1-CD2 4.37Å; V167-Q216 HydrophobicContact CB-CB 4.44Å; V167-Q216 HydrophobicContact CG1-CB 4.05Å; V167-Q216 HydrophobicContact CG2-CB 4.46Å; V167-I226 HydrophobicContact CG2-CD1 3.74Å; V167-V305 HydrophobicContact CG2-CG2 3.98Å
168Y95.4Very high93.1Very high20 Ų2057.4 Ų57.48%0.07830%0.302CS..PPolyproline II helixtrans-96.4137.5-179.5-67.3-82.1000110.6N157 I163 E164 V166N157-Y168 HydrophobicContact CB-CD2 4.04Å; N157-Y168 HydrophobicContact CB-CE2 4.36Å; N157-Y168 VanDerWaalsContact CG-CD2 3.48Å; N157-Y168 WeakPolarHBondContact ND2-CD2 3.49Å; I163-Y168 HydrophobicContact CG2-CE2 4.31Å; E164-Y168 WeakPolarHBondContact CA-OH 3.29Å; E164-Y168 VanDerWaalsContact CB-OH 3.25Å; E164-Y168 WeakPolarHBondContact CB-OH 3.42Å; E164-Y168 PolarHBondContact N-OH 3.4Å; V166-Y168 HydrophobicContact CG2-CD1 4.31Å; V166-Y168 HydrophobicContact CG2-CD2 4.36Å; V166-Y168 HydrophobicContact CG2-CE1 3.8Å; V166-Y168 HydrophobicContact CG2-CE2 3.89Å
169P92.6Very high93Very high86 Ų8661.8 Ų61.856%0.55833%0.325SS*.PPolyproline II helixtrans-66.7134.7173.626.9-32.8000110.8Y213P169-Y213 HydrophobicContact CB-CD2 4.29Å; P169-Y213 HydrophobicContact CB-CE2 3.79Å
170P88.7Confident92.9Very high25 Ų2560.7 Ų60.716%0.16232%0.322CS..PPolyproline II helixtrans-71.4159.1174.331-35.1000110.5V172 M210 Y213P170-V172 WeakPolarHBondContact CG-O 3.27Å; P170-V172 PolarHBondContact O-N 3.37Å; P170-M210 HydrophobicContact CB-CE 3.78Å; P170-M210 HydrophobicContact CG-CE 4.13Å; P170-Y213 VanDerWaalsContact CD-CD2 3.48Å; P170-Y213 HydrophobicContact CG-CD1 3.6Å; P170-Y213 HydrophobicContact CG-CE1 4.08Å; P170-Y213 HydrophobicContact CG-CG 3.88Å
171P82.2Confident92.8Very high107 Ų10756.4 Ų56.470%0.69531%0.307SS*.SBendtrans-68.9-20.1178.528.6-35.3000113.3
172V87.1Confident92.6Very high48 Ų4858.5 Ų58.529%0.29131%0.309SS..SBendtrans-126138.2-178.6-177.50000108.8P170 Y174 L177 L196P170-V172 WeakPolarHBondContact CG-O 3.27Å; P170-V172 PolarHBondContact O-N 3.37Å; V172-Y174 PolarHBondContact O-N 3.44Å; V172-L177 HydrophobicContact CG1-CB 4.33Å; V172-L196 HydrophobicContact CG2-CD2 4.49Å
173D90.3Very high92.3Very high70 Ų7063.1 Ų63.137%0.37432%0.32SS..  trans-59.6126.3172.3-176.4-75.2000110.6K175 K176 L177D173-K175 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 2.87Å; D173-K175 WeakPolarHBondContact OD1-CA 3.29Å; D173-K175 VanDerWaalsContact OD1-CB 3.3Å; D173-K175 WeakPolarHBondContact OD1-CB 3.4Å; D173-K175 PolarHBondContact OD1-N 3.22Å; D173-K176 HydrophobicContact CB-CB 4.28Å; D173-K176 HydrophobicContact CB-CD 4.14Å; D173-K176 HydrophobicContact CB-CG 4.11Å; D173-K176 PolarHBondContact O-N 2.82Å; D173-K176 PolarHBondContact OD1-N 2.59Å; D173-K176 VanDerWaalsContact OD1-N 3.13Å; D173-L177 PolarHBondContact O-N 2.86Å; D173-L177 VanDerWaalsContact O-N 3.1Å
174Y91.1Very high92Very high8 Ų864.1 Ų64.13%0.03133%0.325CS..Hα-helixtrans-66.7-32.2-173.570.9-87.1000112.5V172 L177 I178 Y213 L214 Q217 E218V172-Y174 PolarHBondContact O-N 3.44Å; Y174-L177 PolarHBondContact O-N 3.07Å; Y174-I178 HydrophobicContact CD2-CD1 3.96Å; Y174-I178 WeakPolarHBondContact O-CD1 3.32Å; Y174-I178 WeakPolarHBondContact O-CG1 3.46Å; Y174-I178 PolarHBondContact O-N 3.36Å; Y174-Y213 AromaticContact CD1-CD1 3.87Å; Y174-Y213 HydrophobicContact CD1-CD1 3.87Å; Y174-Y213 AromaticContact CD1-CE1 4Å; Y174-Y213 HydrophobicContact CD1-CE1 4Å; Y174-Y213 HydrophobicContact CE1-CD1 4.35Å; Y174-Y213 HydrophobicContact CE1-CE1 4.28Å; Y174-L214 HydrophobicContact CD2-CB 4.32Å; Y174-L214 HydrophobicContact CD2-CD1 3.6Å; Y174-L214 HydrophobicContact CD2-CG 3.99Å; Y174-L214 HydrophobicContact CE2-CB 4.42Å; Y174-L214 HydrophobicContact CE2-CD1 3.73Å; Y174-L214 HydrophobicContact CE2-CG 3.79Å; Y174-L214 HydrophobicContact CG-CD1 4.47Å; Y174-Q217 HydrophobicContact CE1-CB 4.08Å; Y174-Q217 HydrophobicContact CE1-CG 4.02Å; Y174-E218 WeakPolarHBondContact CE2-OE1 3.17Å; Y174-E218 VanDerWaalsContact CZ-OE1 3.28Å; Y174-E218 WeakPolarHBondContact OH-CG 3.44Å; Y174-E218 PolarHBondContact OH-OE1 2.87Å
175K93.1Very high91.8Very high112 Ų11264.4 Ų64.449%0.48733%0.33SS..Hα-helixtrans-68.1-48.6178.4-59.6-176.7180-179.20110.2D173 L177 I178 D179D173-K175 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 2.87Å; D173-K175 WeakPolarHBondContact OD1-CA 3.29Å; D173-K175 VanDerWaalsContact OD1-CB 3.3Å; D173-K175 WeakPolarHBondContact OD1-CB 3.4Å; D173-K175 PolarHBondContact OD1-N 3.22Å; K175-L177 PolarHBondContact O-N 3.46Å; K175-I178 WeakPolarHBondContact O-CB 3.46Å; K175-I178 PolarHBondContact O-N 3.28Å; K175-I178 VanDerWaalsContact O-N 3.08Å; K175-D179 PolarHBondContact O-N 3Å
176K92.6Very high91.5Very high142 Ų14271 Ų7162%0.61736%0.361SS*.Hα-helixtrans-57.8-38.2175.9-65.4-174.1-177.71790112.1D173 S180D173-K176 HydrophobicContact CB-CB 4.28Å; D173-K176 HydrophobicContact CB-CD 4.14Å; D173-K176 HydrophobicContact CB-CG 4.11Å; D173-K176 PolarHBondContact O-N 2.82Å; D173-K176 PolarHBondContact OD1-N 2.59Å; D173-K176 VanDerWaalsContact OD1-N 3.13Å; K176-S180 VanDerWaalsContact O-CB 3.27Å; K176-S180 WeakPolarHBondContact O-CB 3.47Å; K176-S180 PolarHBondContact O-N 2.81Å; K176-S180 PolarHBondContact O-OG 3.08Å
177L92.5Very high91.3Very high7 Ų776.5 Ų76.54%0.03738%0.379CS..Hα-helixtrans-68.8-43177.1-176.161.2000111.8M125 V172 D173 Y174 K175 S180 L181 L196 Y206 M210M125-L177 HydrophobicContact CE-CD2 3.97Å; M125-L177 HydrophobicContact CE-CG 4.3Å; M125-L177 HydrophobicContact SD-CD2 4.14Å; V172-L177 HydrophobicContact CG1-CB 4.33Å; D173-L177 PolarHBondContact O-N 2.86Å; D173-L177 VanDerWaalsContact O-N 3.1Å; Y174-L177 PolarHBondContact O-N 3.07Å; K175-L177 PolarHBondContact O-N 3.46Å; L177-S180 PolarHBondContact O-N 3.28Å; L177-L181 HydrophobicContact CD1-CD1 4.08Å; L177-L181 HydrophobicContact CD1-CG 4.04Å; L177-L181 HydrophobicContact CG-CD1 3.91Å; L177-L181 HydrophobicContact CG-CG 4.28Å; L177-L181 WeakPolarHBondContact O-CB 3.28Å; L177-L181 VanDerWaalsContact O-CG 3.23Å; L177-L181 WeakPolarHBondContact O-CG 3.43Å; L177-L181 PolarHBondContact O-N 3.02Å; L177-L196 HydrophobicContact CD1-CD1 4.02Å; L177-L196 HydrophobicContact CD1-CD2 4.28Å; L177-Y206 HydrophobicContact CD2-CE1 3.91Å; L177-Y206 WeakPolarHBondContact CD2-OH 3.41Å; L177-M210 HydrophobicContact CD2-CE 3.99Å; L177-M210 HydrophobicContact CD2-SD 3.63Å
178I92.8Very high91.1Very high28 Ų2879 Ų7914%0.14439%0.392CS..Hα-helixtrans-57.3-53.5174.9-72.3162.3000110M125 L130 Y174 K175 S180 L181 E182M125-I178 HydrophobicContact CE-CG1 4.16Å; L130-I178 HydrophobicContact CD2-CB 4.48Å; L130-I178 HydrophobicContact CD2-CD1 3.58Å; L130-I178 HydrophobicContact CD2-CG1 3.79Å; L130-I178 HydrophobicContact CD2-CG2 3.84Å; L130-I178 HydrophobicContact CG-CG1 4.42Å; Y174-I178 HydrophobicContact CD2-CD1 3.96Å; Y174-I178 WeakPolarHBondContact O-CD1 3.32Å; Y174-I178 WeakPolarHBondContact O-CG1 3.46Å; Y174-I178 PolarHBondContact O-N 3.36Å; K175-I178 WeakPolarHBondContact O-CB 3.46Å; K175-I178 PolarHBondContact O-N 3.28Å; K175-I178 VanDerWaalsContact O-N 3.08Å; I178-S180 PolarHBondContact O-N 2.91Å; I178-L181 PolarHBondContact O-N 3.41Å; I178-L181 VanDerWaalsContact O-N 3.1Å; I178-E182 PolarHBondContact O-N 3.37Å; I178-E182 VanDerWaalsContact O-N 3.12Å
179D92.7Very high91Very high93 Ų9378.2 Ų78.250%0.49739%0.389SS..Hα-helixtrans-58-39.4-179.6-59.6-17.9000111.2K175 W183K175-D179 PolarHBondContact O-N 3Å; D179-W183 PolarHBondContact O-NE1 2.92Å
180S91.9Very high91.1Very high39 Ų3978.1 Ų78.127%0.27339%0.39SS..Hα-helixtrans-66.2-46177.3-63.50000112.1K176 L177 I178 E182 W183 M184K176-S180 VanDerWaalsContact O-CB 3.27Å; K176-S180 WeakPolarHBondContact O-CB 3.47Å; K176-S180 PolarHBondContact O-N 2.81Å; K176-S180 PolarHBondContact O-OG 3.08Å; L177-S180 PolarHBondContact O-N 3.28Å; I178-S180 PolarHBondContact O-N 2.91Å; S180-E182 PolarHBondContact O-N 2.82Å; S180-W183 PolarHBondContact O-NE1 3.19Å; S180-M184 WeakPolarHBondContact O-CG 3.37Å; S180-M184 PolarHBondContact O-N 2.98Å
181L91.5Very high91.3Very high15 Ų1580.5 Ų80.58%0.07941%0.412CS..Hα-helixtrans-70.1-19.9-176.6-70.9176000113.2K122 M125 L177 I178 V189K122-L181 WeakPolarHBondContact CE-O 3.47Å; K122-L181 HydrophobicContact CG-CD2 4.28Å; K122-L181 PolarHBondContact NZ-O 3.42Å; M125-L181 HydrophobicContact CB-CD1 4.1Å; M125-L181 HydrophobicContact CE-CD1 4.33Å; M125-L181 HydrophobicContact CG-CD1 3.65Å; L177-L181 HydrophobicContact CD1-CD1 4.08Å; L177-L181 HydrophobicContact CD1-CG 4.04Å; L177-L181 HydrophobicContact CG-CD1 3.91Å; L177-L181 HydrophobicContact CG-CG 4.28Å; L177-L181 WeakPolarHBondContact O-CB 3.28Å; L177-L181 VanDerWaalsContact O-CG 3.23Å; L177-L181 WeakPolarHBondContact O-CG 3.43Å; L177-L181 PolarHBondContact O-N 3.02Å; I178-L181 PolarHBondContact O-N 3.41Å; I178-L181 VanDerWaalsContact O-N 3.1Å; L181-V189 HydrophobicContact CD2-CB 4.33Å; L181-V189 HydrophobicContact CD2-CG1 3.78Å; L181-V189 HydrophobicContact CD2-CG2 3.54Å
182E89.1Confident91.8Very high160 Ų16078.5 Ų78.575%0.74840%0.395SS*.Hα-helixtrans-62.9-47.8178.9-169.7172.4-169.900111.9I178 S180I178-E182 PolarHBondContact O-N 3.37Å; I178-E182 VanDerWaalsContact O-N 3.12Å; S180-E182 PolarHBondContact O-N 2.82Å
183W89.2Confident92.1Very high182 Ų18277.1 Ų77.169%0.68939%0.386SS*.Hα-helixtrans-95.7-22-175.162.8-96000114.7D179 S180 L188D179-W183 PolarHBondContact O-NE1 2.92Å; S180-W183 PolarHBondContact O-NE1 3.19Å; W183-L188 HydrophobicContact CZ3-CD2 4.34Å
184M92.4Very high92.2Very high21 Ų2177.9 Ų77.910%0.10340%0.395CS..SBendtrans-66.5142.1-178.3-72.2168.7175.500111.9K122 S180 L188 V189 M192K122-M184 WeakPolarHBondContact CE-O 3.39Å; K122-M184 PolarHBondContact NZ-O 2.81Å; S180-M184 WeakPolarHBondContact O-CG 3.37Å; S180-M184 PolarHBondContact O-N 2.98Å; M184-L188 HydrophobicContact CB-CD2 4.15Å; M184-L188 HydrophobicContact CG-CD2 3.81Å; M184-V189 HydrophobicContact CB-CG2 3.78Å; M184-V189 HydrophobicContact SD-CG2 4.46Å; M184-M192 HydrophobicContact CE-CE 3.57Å; M184-M192 HydrophobicContact CE-SD 4.47Å; M184-M192 HydrophobicContact CG-CE 4.48Å; M184-M192 HydrophobicContact SD-CE 3.23Å; M184-M192 WeakPolarHBondContact SD-CE 3.18Å
185D92.6Very high92.2Very high97 Ų9780.7 Ų80.752%0.51943%0.427SS..  trans-75.5165.1171.773.148.3000112.7K187 L188 V189D185-K187 VanDerWaalsContact C-N 3.28Å; D185-K187 PolarHBondContact O-N 3.49Å; D185-K187 WeakPolarHBondContact OD1-CA 3.46Å; D185-K187 WeakPolarHBondContact OD1-CB 3.4Å; D185-K187 PolarHBondContact OD1-N 2.94Å; D185-L188 PolarHBondContact O-N 3.17Å; D185-L188 PolarHBondContact OD1-N 3.26Å; D185-V189 WeakPolarHBondContact O-CG2 3.45Å; D185-V189 PolarHBondContact O-N 2.88Å
186E90.2Very high92.1Very high153 Ų15377 Ų7772%0.71541%0.412SS*.Hα-helixtrans-60.8-33.4-179.1-70.6-175.6179.900113.8S190E186-S190 VanDerWaalsContact O-CB 3.27Å; E186-S190 WeakPolarHBondContact O-CB 3.45Å; E186-S190 PolarHBondContact O-N 3.4Å
187K92.8Very high92.1Very high178 Ų17871.5 Ų71.577%0.77439%0.389SS*.Hα-helixtrans-69.7-43.7-178.6-66.2-179.9-179.5174.10110.2D185 S190 A191D185-K187 VanDerWaalsContact C-N 3.28Å; D185-K187 PolarHBondContact O-N 3.49Å; D185-K187 WeakPolarHBondContact OD1-CA 3.46Å; D185-K187 WeakPolarHBondContact OD1-CB 3.4Å; D185-K187 PolarHBondContact OD1-N 2.94Å; K187-S190 PolarHBondContact O-N 2.86Å; K187-A191 WeakPolarHBondContact O-CB 3.39Å; K187-A191 PolarHBondContact O-N 2.82Å
188L93Very high92Very high67 Ų6773.6 Ų73.635%0.35141%0.412SS..Hα-helixtrans-63.3-45.2176.5-17760.3000111W183 M184 D185 S190 A191 M192W183-L188 HydrophobicContact CZ3-CD2 4.34Å; M184-L188 HydrophobicContact CB-CD2 4.15Å; M184-L188 HydrophobicContact CG-CD2 3.81Å; D185-L188 PolarHBondContact O-N 3.17Å; D185-L188 PolarHBondContact OD1-N 3.26Å; L188-S190 PolarHBondContact O-N 2.93Å; L188-A191 PolarHBondContact O-N 2.84Å; L188-M192 HydrophobicContact CD1-CE 4.37Å; L188-M192 HydrophobicContact CD1-SD 4.44Å; L188-M192 HydrophobicContact CG-CE 3.9Å; L188-M192 WeakPolarHBondContact O-CG 3.38Å; L188-M192 PolarHBondContact O-N 2.87Å
189V93.4Very high92Very high5 Ų580.7 Ų80.73%0.0344%0.442CS..Hα-helixtrans-61.2-45.3175.9175.10000111.3L121 K122 L181 M184 D185 A191 M192 T193L121-V189 HydrophobicContact CB-CG1 3.89Å; L121-V189 HydrophobicContact CD2-CG1 4.21Å; L121-V189 HydrophobicContact CG-CG1 4.43Å; K122-V189 HydrophobicContact CD-CG2 4.33Å; K122-V189 HydrophobicContact CG-CG1 4.18Å; K122-V189 HydrophobicContact CG-CG2 4.12Å; L181-V189 HydrophobicContact CD2-CB 4.33Å; L181-V189 HydrophobicContact CD2-CG1 3.78Å; L181-V189 HydrophobicContact CD2-CG2 3.54Å; M184-V189 HydrophobicContact CB-CG2 3.78Å; M184-V189 HydrophobicContact SD-CG2 4.46Å; D185-V189 WeakPolarHBondContact O-CG2 3.45Å; D185-V189 PolarHBondContact O-N 2.88Å; V189-A191 VanDerWaalsContact C-N 3.3Å; V189-A191 PolarHBondContact O-N 3.39Å; V189-M192 PolarHBondContact O-N 3.48Å; V189-T193 WeakPolarHBondContact O-CB 3.21Å; V189-T193 PolarHBondContact O-N 3.4Å; V189-T193 PolarHBondContact O-OG1 2.95Å
190S93.1Very high92Very high83 Ų8377.4 Ų77.458%0.5842%0.423SS*.Hα-helixtrans-59.5-40.9177.9-173.40000111.9E186 K187 L188 P194E186-S190 VanDerWaalsContact O-CB 3.27Å; E186-S190 WeakPolarHBondContact O-CB 3.45Å; E186-S190 PolarHBondContact O-N 3.4Å; K187-S190 PolarHBondContact O-N 2.86Å; L188-S190 PolarHBondContact O-N 2.93Å; S190-P194 WeakPolarHBondContact O-CD 3.33Å
191A93.5Very high92Very high76 Ų7677.6 Ų77.663%0.62842%0.423SS*.Hα-helixtrans-66-36.3177.200000113.2K187 L188 V189K187-A191 WeakPolarHBondContact O-CB 3.39Å; K187-A191 PolarHBondContact O-N 2.82Å; L188-A191 PolarHBondContact O-N 2.84Å; V189-A191 VanDerWaalsContact C-N 3.3Å; V189-A191 PolarHBondContact O-N 3.39Å
192M92.1Very high92.1Very high65 Ų6577.3 Ų77.332%0.3242%0.422SS..Hα-helixtrans-85.8-21.7179.6-65.7-170.8-60.900114M184 L188 V189 P194 G195 L196M184-M192 HydrophobicContact CE-CE 3.57Å; M184-M192 HydrophobicContact CE-SD 4.47Å; M184-M192 HydrophobicContact CG-CE 4.48Å; M184-M192 HydrophobicContact SD-CE 3.23Å; M184-M192 WeakPolarHBondContact SD-CE 3.18Å; L188-M192 HydrophobicContact CD1-CE 4.37Å; L188-M192 HydrophobicContact CD1-SD 4.44Å; L188-M192 HydrophobicContact CG-CE 3.9Å; L188-M192 WeakPolarHBondContact O-CG 3.38Å; L188-M192 PolarHBondContact O-N 2.87Å; V189-M192 PolarHBondContact O-N 3.48Å; M192-P194 VanDerWaalsContact C-CD 3.48Å; M192-P194 VanDerWaalsContact C-N 3.35Å; M192-G195 PolarHBondContact O-N 3.13Å; M192-L196 HydrophobicContact CB-CD1 4.28Å; M192-L196 PolarHBondContact O-N 3.38Å
193T93.3Very high92.3Very high19 Ų1970.2 Ų70.212%0.11739%0.389CS..Hα-helixtrans-50-46.4-175.4-670000113L121 V189 G195 L196 I197 T203L121-T193 HydrophobicContact CB-CG2 4.2Å; L121-T193 HydrophobicContact CD2-CG2 4.43Å; V189-T193 WeakPolarHBondContact O-CB 3.21Å; V189-T193 PolarHBondContact O-N 3.4Å; V189-T193 PolarHBondContact O-OG1 2.95Å; T193-G195 VanDerWaalsContact C-N 3.28Å; T193-G195 PolarHBondContact O-N 3.07Å; T193-L196 PolarHBondContact O-N 3.12Å; T193-L196 VanDerWaalsContact O-N 3.16Å; T193-I197 HydrophobicContact CG2-CD1 4.49Å; T193-I197 HydrophobicContact CG2-CG2 4.12Å; T193-I197 WeakPolarHBondContact O-CG1 3.4Å; T193-I197 PolarHBondContact O-N 3.36Å; T193-T203 HydrophobicContact CG2-CG2 3.74Å
194P92.7Very high92.6Very high85 Ų8562.8 Ų62.855%0.55236%0.361SS*.Hα-helixtrans-58.8-37.4178-25.135.4000113.6S190 M192 G198S190-P194 WeakPolarHBondContact O-CD 3.33Å; M192-P194 VanDerWaalsContact C-CD 3.48Å; M192-P194 VanDerWaalsContact C-N 3.35Å; P194-G198 PolarHBondContact O-N 2.92Å
195G91.6Very high92.7Very high68 Ų6861.8 Ų61.870%0.70136%0.356SS*.Hα-helixtrans-71.1-37.8176.600000112.7M192 T193M192-G195 PolarHBondContact O-N 3.13Å; T193-G195 VanDerWaalsContact C-N 3.28Å; T193-G195 PolarHBondContact O-N 3.07Å
196L91.3Very high92.8Very high35 Ų3557.4 Ų57.418%0.18333%0.333CS..Hα-helixtrans-70.1-45.6179.9-69.5171.9000112.7L121 V172 L177 M192 T193 G198 Y206L121-L196 HydrophobicContact CD2-CB 4.5Å; L121-L196 HydrophobicContact CD2-CD1 3.61Å; V172-L196 HydrophobicContact CG2-CD2 4.49Å; L177-L196 HydrophobicContact CD1-CD1 4.02Å; L177-L196 HydrophobicContact CD1-CD2 4.28Å; M192-L196 HydrophobicContact CB-CD1 4.28Å; M192-L196 PolarHBondContact O-N 3.38Å; T193-L196 PolarHBondContact O-N 3.12Å; T193-L196 VanDerWaalsContact O-N 3.16Å; L196-G198 PolarHBondContact O-N 2.9Å; L196-Y206 VanDerWaalsContact O-CE2 3.3Å; L196-Y206 WeakPolarHBondContact O-CE2 3.13Å
197I92.3Very high93.1Very high26 Ų2650.1 Ų50.113%0.13330%0.298CS..Hα-helixtrans-75.1-17.9-18072.3-179.9000112.1T193 K199 R200 T203 Y206T193-I197 HydrophobicContact CG2-CD1 4.49Å; T193-I197 HydrophobicContact CG2-CG2 4.12Å; T193-I197 WeakPolarHBondContact O-CG1 3.4Å; T193-I197 PolarHBondContact O-N 3.36Å; I197-K199 PolarHBondContact O-N 2.91Å; I197-R200 HydrophobicContact CB-CB 4.38Å; I197-R200 VanDerWaalsContact O-CB 3.22Å; I197-R200 WeakPolarHBondContact O-CB 3.45Å; I197-R200 VanDerWaalsContact O-CG 3.28Å; I197-R200 WeakPolarHBondContact O-CG 3.25Å; I197-R200 PolarHBondContact O-N 2.85Å; I197-T203 HydrophobicContact CG2-CG2 4.36Å; I197-Y206 HydrophobicContact CB-CD2 4.45Å; I197-Y206 HydrophobicContact CB-CG 4.35Å; I197-Y206 HydrophobicContact CG2-CD1 4.15Å; I197-Y206 HydrophobicContact CG2-CD2 4.37Å; I197-Y206 HydrophobicContact CG2-CG 3.87Å
198G90.9Very high93.3Very high51 Ų5141.8 Ų41.853%0.52626%0.262SS..THydrogen-bonded Turntrans58.4-122.1174.100000112.8P194 L196 R200P194-G198 PolarHBondContact O-N 2.92Å; L196-G198 PolarHBondContact O-N 2.9Å; G198-R200 PolarHBondContact O-N 2.85Å
199K91.8Very high93.4Very high177 Ų17738.8 Ų38.877%0.7725%0.248SC*.THydrogen-bonded Turntrans-78.1-3.7-179.3-67.8-179-179.9177.70113.9D159 I197D159-K199 HydrophobicContact CB-CB 4.13Å; I197-K199 PolarHBondContact O-N 2.91Å
200R92.9Very high93.6Very high24 Ų2438.6 Ų38.69%0.09125%0.246CC..  trans-74.4144.7-178.4-60.6-164.9176.5-54.5-10.3111.1A156 N157 D159 I197 G198 N202 Y206A156-R200 PolarHBondContact O-NH1 3.37Å; A156-R200 PolarHBondContact O-NH2 3.26Å; N157-R200 PolarHBondContact OD1-NH2 2.93Å; D159-R200 HydrophobicContact CB-CG 4.42Å; D159-R200 IonicContact OD1-CZ 3.07Å; D159-R200 IonicContact OD1-NH1 3.13Å; D159-R200 PolarHBondContact OD1-NH1 2.75Å; D159-R200 IonicContact OD1-NH2 2.74Å; D159-R200 PolarHBondContact OD1-NH2 3.42Å; D159-R200 IonicContact OD2-CZ 3.51Å; D159-R200 IonicContact OD2-NH1 2.85Å; D159-R200 IonicContact OD2-NH2 3.39Å; D159-R200 PolarHBondContact OD2-NH2 2.85Å; I197-R200 HydrophobicContact CB-CB 4.38Å; I197-R200 VanDerWaalsContact O-CB 3.22Å; I197-R200 WeakPolarHBondContact O-CB 3.45Å; I197-R200 VanDerWaalsContact O-CG 3.28Å; I197-R200 WeakPolarHBondContact O-CG 3.25Å; I197-R200 PolarHBondContact O-N 2.85Å; G198-R200 PolarHBondContact O-N 2.85Å; R200-N202 VanDerWaalsContact C-N 3.29Å; R200-N202 PolarHBondContact O-N 2.71Å; R200-Y206 VanDerWaalsContact CD-CA 3.46Å
201P92.4Very high93.8Very high43 Ų4334.7 Ų34.728%0.27922%0.219SC..SBendtrans-72.2-20.8-176.529.1-37000114C158 T205 Y396 F397C158-P201 VanDerWaalsContact SG-CD 3.54Å; P201-T205 HydrophobicContact CG-CG2 4.2Å; P201-Y396 HydrophobicContact CB-CD1 3.67Å; P201-Y396 HydrophobicContact CB-CD2 3.99Å; P201-Y396 HydrophobicContact CB-CE1 4.21Å; P201-Y396 HydrophobicContact CB-CG 3.52Å; P201-Y396 HydrophobicContact CG-CD1 3.52Å; P201-Y396 HydrophobicContact CG-CE1 3.77Å; P201-Y396 HydrophobicContact CG-CG 3.95Å; P201-F397 HydrophobicContact CB-CZ 4.48Å; P201-F397 HydrophobicContact CG-CE1 4.17Å; P201-F397 HydrophobicContact CG-CE2 4.24Å; P201-F397 HydrophobicContact CG-CZ 3.62Å
202N93.5Very high94Very high9 Ų931 Ų315%0.04819%0.189CC..SBendtrans-164.3167.2-174.453.354.7000113.4F117 R200 Y204 T205 Y206F117-N202 HydrophobicContact CB-CB 4.31Å; F117-N202 WeakPolarHBondContact O-CB 3.17Å; R200-N202 VanDerWaalsContact C-N 3.29Å; R200-N202 PolarHBondContact O-N 2.71Å; N202-Y204 VanDerWaalsContact C-N 3.28Å; N202-Y204 PolarHBondContact O-N 2.75Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.36Å; N202-Y204 PolarHBondContact OD1-N 3.31Å; N202-T205 PolarHBondContact O-OG1 3.22Å; N202-T205 WeakPolarHBondContact OD1-CG2 3.37Å; N202-T205 PolarHBondContact OD1-N 3.44Å; N202-T205 PolarHBondContact OD1-OG1 2.85Å; N202-Y206 PolarHBondContact O-N 3.04Å
203T93.9Very high94.2Very high11 Ų1130.2 Ų30.27%0.06718%0.182CC..Hα-helixtrans-62.3-31176.550.30000113E119 L121 T193 I197 Y206 T207E119-T203 PolarHBondContact O-OG1 2.83Å; L121-T203 HydrophobicContact CB-CG2 4.11Å; L121-T203 HydrophobicContact CD1-CG2 4.15Å; T193-T203 HydrophobicContact CG2-CG2 3.74Å; I197-T203 HydrophobicContact CG2-CG2 4.36Å; T203-Y206 PolarHBondContact O-N 3.14Å; T203-T207 WeakPolarHBondContact O-CB 3.32Å; T203-T207 VanDerWaalsContact O-CG2 3.29Å; T203-T207 WeakPolarHBondContact O-CG2 3.44Å; T203-T207 PolarHBondContact O-N 2.77Å; T203-T207 PolarHBondContact O-OG1 3Å
204Y94.1Very high94.4Very high25 Ų2529.3 Ų29.310%0.09818%0.177CC..Hα-helixtrans-61.2-53.4178.2169.4-100.2000112.5T114 I115 F117 T153 N202 Y206 T207 K208T114-Y204 WeakPolarHBondContact O-CD2 3.48Å; T114-Y204 WeakPolarHBondContact O-CE2 3.33Å; I115-Y204 HydrophobicContact CG2-CE2 4.22Å; F117-Y204 AromaticContact CD1-CD1 3.68Å; F117-Y204 HydrophobicContact CD1-CD1 3.68Å; F117-Y204 HydrophobicContact CD1-CE1 4.48Å; F117-Y204 AromaticContact CD1-CG 3.81Å; F117-Y204 HydrophobicContact CD1-CG 3.81Å; F117-Y204 AromaticContact CE1-CD1 3.42Å; F117-Y204 HydrophobicContact CE1-CD1 3.42Å; F117-Y204 VanDerWaalsContact CE1-CD1 3.42Å; F117-Y204 AromaticContact CE1-CE1 3.8Å; F117-Y204 HydrophobicContact CE1-CE1 3.8Å; F117-Y204 AromaticContact CE1-CG 3.94Å; F117-Y204 HydrophobicContact CE1-CG 3.94Å; T153-Y204 HydrophobicContact CG2-CE1 3.72Å; N202-Y204 VanDerWaalsContact C-N 3.28Å; N202-Y204 PolarHBondContact O-N 2.75Å; N202-Y204 WeakPolarHBondContact OD1-CB 3.36Å; N202-Y204 PolarHBondContact OD1-N 3.31Å; Y204-Y206 VanDerWaalsContact C-N 3.28Å; Y204-Y206 PolarHBondContact O-N 2.66Å; Y204-T207 PolarHBondContact O-N 2.54Å; Y204-T207 PolarHBondContact O-OG1 2.95Å; Y204-K208 HydrophobicContact CD2-CG 4.28Å; Y204-K208 HydrophobicContact CE1-CG 4.47Å; Y204-K208 HydrophobicContact CE2-CG 3.86Å; Y204-K208 WeakPolarHBondContact O-CB 3.46Å; Y204-K208 PolarHBondContact O-N 3.43Å
205T94.9Very high94.6Very high0 Ų025.3 Ų25.30%015%0.151CC..Hα-helixtrans-61.1-39.8179.353.60000111.5Y155 P201 N202 A209 F397Y155-T205 WeakPolarHBondContact O-CB 3.37Å; Y155-T205 VanDerWaalsContact O-CG2 3.28Å; Y155-T205 WeakPolarHBondContact O-CG2 3.41Å; P201-T205 HydrophobicContact CG-CG2 4.2Å; N202-T205 PolarHBondContact O-OG1 3.22Å; N202-T205 WeakPolarHBondContact OD1-CG2 3.37Å; N202-T205 PolarHBondContact OD1-N 3.44Å; N202-T205 PolarHBondContact OD1-OG1 2.85Å; T205-A209 PolarHBondContact O-N 3.36Å; T205-A209 VanDerWaalsContact O-N 3.14Å; T205-F397 HydrophobicContact CG2-CE1 4.37Å; T205-F397 HydrophobicContact CG2-CZ 3.93Å
206Y95.1Very high94.9Very high5 Ų525.4 Ų25.42%0.0213%0.133CC..Hα-helixtrans-61.9-51.7176.1180-102.6000112.8L121 L177 L196 I197 R200 N202 T203 Y204 K208 A209 M210L121-Y206 HydrophobicContact CD1-CD1 3.99Å; L121-Y206 HydrophobicContact CD1-CE1 4.22Å; L177-Y206 HydrophobicContact CD2-CE1 3.91Å; L177-Y206 WeakPolarHBondContact CD2-OH 3.41Å; L196-Y206 VanDerWaalsContact O-CE2 3.3Å; L196-Y206 WeakPolarHBondContact O-CE2 3.13Å; I197-Y206 HydrophobicContact CB-CD2 4.45Å; I197-Y206 HydrophobicContact CB-CG 4.35Å; I197-Y206 HydrophobicContact CG2-CD1 4.15Å; I197-Y206 HydrophobicContact CG2-CD2 4.37Å; I197-Y206 HydrophobicContact CG2-CG 3.87Å; R200-Y206 VanDerWaalsContact CD-CA 3.46Å; N202-Y206 PolarHBondContact O-N 3.04Å; T203-Y206 PolarHBondContact O-N 3.14Å; Y204-Y206 VanDerWaalsContact C-N 3.28Å; Y204-Y206 PolarHBondContact O-N 2.66Å; Y206-K208 VanDerWaalsContact C-N 3.34Å; Y206-K208 PolarHBondContact O-N 3.33Å; Y206-A209 PolarHBondContact O-N 3.4Å; Y206-M210 HydrophobicContact CE1-CE 4.2Å; Y206-M210 HydrophobicContact CE1-SD 4.35Å; Y206-M210 HydrophobicContact CE2-CE 4.44Å; Y206-M210 PolarHBondContact O-N 2.9Å; Y206-M210 VanDerWaalsContact OH-CE 3.29Å; Y206-M210 WeakPolarHBondContact OH-CE 3.45Å
207T95.9Very high95.1Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-69.8-30.2-177.153.90000112.6L121 A124 M125 N128 V129 T203 Y204 M210 A211L121-T207 HydrophobicContact CD1-CG2 4.09Å; A124-T207 HydrophobicContact CB-CG2 3.8Å; M125-T207 HydrophobicContact CG-CG2 3.96Å; M125-T207 HydrophobicContact SD-CG2 3.73Å; N128-T207 PolarHBondContact ND2-OG1 3.41Å; V129-T207 WeakPolarHBondContact CG2-O 3.29Å; T203-T207 WeakPolarHBondContact O-CB 3.32Å; T203-T207 VanDerWaalsContact O-CG2 3.29Å; T203-T207 WeakPolarHBondContact O-CG2 3.44Å; T203-T207 PolarHBondContact O-N 2.77Å; T203-T207 PolarHBondContact O-OG1 3Å; Y204-T207 PolarHBondContact O-N 2.54Å; Y204-T207 PolarHBondContact O-OG1 2.95Å; T207-M210 PolarHBondContact O-N 3.17Å; T207-A211 WeakPolarHBondContact O-CB 3.43Å; T207-A211 PolarHBondContact O-N 3.44Å
208K96.7Very high95.3Very high3 Ų329.2 Ų29.21%0.01315%0.149CC..Hα-helixtrans-66.5-44.2171-78.2-60.8-164.5175.80112.7A113 V151 T153 A156 Y204 Y206 M210 A211 E212A113-K208 VanDerWaalsContact CB-NZ 3.33Å; V151-K208 PolarHBondContact O-NZ 3.25Å; T153-K208 HydrophobicContact CG2-CB 3.91Å; T153-K208 HydrophobicContact CG2-CG 3.95Å; A156-K208 HydrophobicContact CB-CB 4.2Å; Y204-K208 HydrophobicContact CD2-CG 4.28Å; Y204-K208 HydrophobicContact CE1-CG 4.47Å; Y204-K208 HydrophobicContact CE2-CG 3.86Å; Y204-K208 WeakPolarHBondContact O-CB 3.46Å; Y204-K208 PolarHBondContact O-N 3.43Å; Y206-K208 VanDerWaalsContact C-N 3.34Å; Y206-K208 PolarHBondContact O-N 3.33Å; K208-M210 VanDerWaalsContact C-N 3.29Å; K208-M210 PolarHBondContact O-N 2.92Å; K208-A211 PolarHBondContact O-N 3.11Å; K208-E212 WeakPolarHBondContact O-CG 3.48Å; K208-E212 PolarHBondContact O-N 3.11Å; K208-E212 VanDerWaalsContact O-N 3.1Å
209A96.6Very high95.5Very high5 Ų527.4 Ų27.44%0.04113%0.129CC..Hα-helixtrans-60.9-41173.100000112.1A156 T205 Y206 E212 Y213A156-A209 HydrophobicContact CB-CB 4.17Å; A156-A209 WeakPolarHBondContact O-CB 3.49Å; T205-A209 PolarHBondContact O-N 3.36Å; T205-A209 VanDerWaalsContact O-N 3.14Å; Y206-A209 PolarHBondContact O-N 3.4Å; A209-E212 PolarHBondContact O-N 3.43Å; A209-Y213 PolarHBondContact O-N 3.33Å
210M96.4Very high95.5Very high1 Ų121.7 Ų21.71%0.00512%0.12CC..Hα-helixtrans-65.6-38.6177.4-171.5151.8-75.200112.5M125 V129 P170 L177 Y206 T207 K208 Y213 L214M125-M210 HydrophobicContact CE-SD 3.75Å; M125-M210 HydrophobicContact SD-SD 3.93Å; V129-M210 HydrophobicContact CG1-CG 4.18Å; V129-M210 HydrophobicContact CG2-CB 4.05Å; V129-M210 HydrophobicContact CG2-CG 4.1Å; P170-M210 HydrophobicContact CB-CE 3.78Å; P170-M210 HydrophobicContact CG-CE 4.13Å; L177-M210 HydrophobicContact CD2-CE 3.99Å; L177-M210 HydrophobicContact CD2-SD 3.63Å; Y206-M210 HydrophobicContact CE1-CE 4.2Å; Y206-M210 HydrophobicContact CE1-SD 4.35Å; Y206-M210 HydrophobicContact CE2-CE 4.44Å; Y206-M210 PolarHBondContact O-N 2.9Å; Y206-M210 VanDerWaalsContact OH-CE 3.29Å; Y206-M210 WeakPolarHBondContact OH-CE 3.45Å; T207-M210 PolarHBondContact O-N 3.17Å; K208-M210 VanDerWaalsContact C-N 3.29Å; K208-M210 PolarHBondContact O-N 2.92Å; M210-Y213 PolarHBondContact O-N 3.03Å; M210-L214 WeakPolarHBondContact O-CB 3.04Å; M210-L214 PolarHBondContact O-N 3.23Å
211A97.3Very high95.4Very high0 Ų027.7 Ų27.70%015%0.154CC..Hα-helixtrans-62.7-43175.500000112.1N128 V129 T207 K208 Y213 L214 V215N128-A211 WeakPolarHBondContact O-CB 3.46Å; V129-A211 HydrophobicContact CG2-CB 4.42Å; T207-A211 WeakPolarHBondContact O-CB 3.43Å; T207-A211 PolarHBondContact O-N 3.44Å; K208-A211 PolarHBondContact O-N 3.11Å; A211-Y213 VanDerWaalsContact C-N 3.33Å; A211-Y213 PolarHBondContact O-N 3.24Å; A211-L214 PolarHBondContact O-N 2.9Å; A211-V215 WeakPolarHBondContact O-CB 3.5Å; A211-V215 VanDerWaalsContact O-CG2 3.25Å; A211-V215 WeakPolarHBondContact O-CG2 3.28Å; A211-V215 PolarHBondContact O-N 2.92Å
212E97.9Very high95.5Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-59.4-45.1175.6-67176.2172.700111.9S152 V167 K208 A209 V215 Q216 I226 R228S152-E212 WeakPolarHBondContact CB-OE1 3.35Å; S152-E212 VanDerWaalsContact OG-CD 3.3Å; S152-E212 WeakPolarHBondContact OG-CG 3.38Å; S152-E212 PolarHBondContact OG-OE1 2.94Å; V167-E212 HydrophobicContact CG1-CB 4.1Å; K208-E212 WeakPolarHBondContact O-CG 3.48Å; K208-E212 PolarHBondContact O-N 3.11Å; K208-E212 VanDerWaalsContact O-N 3.1Å; A209-E212 PolarHBondContact O-N 3.43Å; E212-V215 PolarHBondContact O-N 2.86Å; E212-Q216 PolarHBondContact O-N 2.86Å; E212-I226 HydrophobicContact CB-CD1 4.16Å; E212-I226 HydrophobicContact CG-CD1 4.2Å; E212-I226 HydrophobicContact CG-CG2 4.24Å; E212-R228 WeakPolarHBondContact OE1-CG 3.35Å; E212-R228 IonicContact OE1-CZ 3.87Å; E212-R228 IonicContact OE1-NE 2.65Å; E212-R228 PolarHBondContact OE1-NE 3.18Å; E212-R228 IonicContact OE1-NH2 2.77Å; E212-R228 IonicContact OE2-CZ 3.45Å; E212-R228 IonicContact OE2-NE 2.72Å; E212-R228 PolarHBondContact OE2-NE 3.41Å; E212-R228 IonicContact OE2-NH2 3.66Å; E212-R228 PolarHBondContact OE2-NH2 3.35Å
213Y97.3Very high95.5Very high48 Ų4827.6 Ų27.619%0.18815%0.15CC..Hα-helixtrans-65.6-44.6178.2-173.8-105.8000112V167 P169 P170 Y174 A209 M210 A211 V215 Q216 Q217V167-Y213 HydrophobicContact CG1-CD2 4.37Å; P169-Y213 HydrophobicContact CB-CD2 4.29Å; P169-Y213 HydrophobicContact CB-CE2 3.79Å; P170-Y213 VanDerWaalsContact CD-CD2 3.48Å; P170-Y213 HydrophobicContact CG-CD1 3.6Å; P170-Y213 HydrophobicContact CG-CE1 4.08Å; P170-Y213 HydrophobicContact CG-CG 3.88Å; Y174-Y213 AromaticContact CD1-CD1 3.87Å; Y174-Y213 HydrophobicContact CD1-CD1 3.87Å; Y174-Y213 AromaticContact CD1-CE1 4Å; Y174-Y213 HydrophobicContact CD1-CE1 4Å; Y174-Y213 HydrophobicContact CE1-CD1 4.35Å; Y174-Y213 HydrophobicContact CE1-CE1 4.28Å; A209-Y213 PolarHBondContact O-N 3.33Å; M210-Y213 PolarHBondContact O-N 3.03Å; A211-Y213 VanDerWaalsContact C-N 3.33Å; A211-Y213 PolarHBondContact O-N 3.24Å; Y213-V215 VanDerWaalsContact C-N 3.31Å; Y213-V215 PolarHBondContact O-N 2.78Å; Y213-Q216 WeakPolarHBondContact O-CB 3.04Å; Y213-Q216 PolarHBondContact O-N 3.41Å; Y213-Q216 VanDerWaalsContact O-N 3.11Å; Y213-Q217 HydrophobicContact CD1-CG 3.97Å; Y213-Q217 HydrophobicContact CE1-CG 3.63Å; Y213-Q217 HydrophobicContact CE2-CG 4.28Å; Y213-Q217 HydrophobicContact CG-CG 4.45Å; Y213-Q217 WeakPolarHBondContact O-CG 3.43Å; Y213-Q217 PolarHBondContact O-N 2.91Å
214L97.4Very high95.6Very high0 Ų027.4 Ų27.40%015%0.149CC..Hα-helixtrans-56.1-48175.2-176.1154.7000110.8V129 Q133 Y174 M210 A211 Q216 Q217 E218V129-L214 HydrophobicContact CG1-CD1 3.51Å; Q133-L214 HydrophobicContact CB-CD1 3.87Å; Q133-L214 HydrophobicContact CB-CD2 3.75Å; Q133-L214 HydrophobicContact CB-CG 4.47Å; Q133-L214 HydrophobicContact CG-CD1 4.38Å; Q133-L214 HydrophobicContact CG-CD2 4.24Å; Y174-L214 HydrophobicContact CD2-CB 4.32Å; Y174-L214 HydrophobicContact CD2-CD1 3.6Å; Y174-L214 HydrophobicContact CD2-CG 3.99Å; Y174-L214 HydrophobicContact CE2-CB 4.42Å; Y174-L214 HydrophobicContact CE2-CD1 3.73Å; Y174-L214 HydrophobicContact CE2-CG 3.79Å; Y174-L214 HydrophobicContact CG-CD1 4.47Å; M210-L214 WeakPolarHBondContact O-CB 3.04Å; M210-L214 PolarHBondContact O-N 3.23Å; A211-L214 PolarHBondContact O-N 2.9Å; L214-Q216 VanDerWaalsContact C-N 3.28Å; L214-Q216 PolarHBondContact O-N 3Å; L214-Q217 PolarHBondContact O-N 3.46Å; L214-Q217 VanDerWaalsContact O-N 3.11Å; L214-E218 HydrophobicContact CD2-CB 4.47Å; L214-E218 HydrophobicContact CD2-CG 4.4Å; L214-E218 WeakPolarHBondContact O-CB 3.45Å; L214-E218 PolarHBondContact O-N 2.96Å
215V97.3Very high95.8Very high0 Ų026.2 Ų26.20%015%0.145CC..Hα-helixtrans-57.5-43.9177.1169.60000110.6T132 V136 A211 E212 Y213 Q217 E218 C219 V224 I303T132-V215 HydrophobicContact CG2-CG2 3.36Å; V136-V215 HydrophobicContact CG2-CG2 4.14Å; A211-V215 WeakPolarHBondContact O-CB 3.5Å; A211-V215 VanDerWaalsContact O-CG2 3.25Å; A211-V215 WeakPolarHBondContact O-CG2 3.28Å; A211-V215 PolarHBondContact O-N 2.92Å; E212-V215 PolarHBondContact O-N 2.86Å; Y213-V215 VanDerWaalsContact C-N 3.31Å; Y213-V215 PolarHBondContact O-N 2.78Å; V215-Q217 VanDerWaalsContact C-N 3.33Å; V215-Q217 PolarHBondContact O-N 3.35Å; V215-E218 PolarHBondContact O-N 3.31Å; V215-C219 WeakPolarHBondContact O-CB 3.35Å; V215-C219 PolarHBondContact O-N 2.8Å; V215-C219 PolarHBondContact O-SG 3.01Å; V215-V224 HydrophobicContact CG1-CG1 3.56Å; V215-V224 HydrophobicContact CG1-CG2 4.42Å; V215-I303 HydrophobicContact CG1-CD1 4.33Å
216Q96.3Very high96Very high71 Ų7126.2 Ų26.233%0.33215%0.145SC..Hα-helixtrans-62.1-38.4176.5-175.3-179.250.400113.4V167 E212 Y213 L214 I303V167-Q216 HydrophobicContact CB-CB 4.44Å; V167-Q216 HydrophobicContact CG1-CB 4.05Å; V167-Q216 HydrophobicContact CG2-CB 4.46Å; E212-Q216 PolarHBondContact O-N 2.86Å; Y213-Q216 WeakPolarHBondContact O-CB 3.04Å; Y213-Q216 PolarHBondContact O-N 3.41Å; Y213-Q216 VanDerWaalsContact O-N 3.11Å; L214-Q216 VanDerWaalsContact C-N 3.28Å; L214-Q216 PolarHBondContact O-N 3Å; Q216-I303 HydrophobicContact CB-CD1 3.96Å; Q216-I303 HydrophobicContact CG-CD1 4.23Å
217Q95.9Very high96.1Very high95 Ų9526 Ų2644%0.44414%0.144SC..Hα-helixtrans-76.2-32.6-179.4-62.8-48.7-57.800112.6Y174 Y213 L214 V215Y174-Q217 HydrophobicContact CE1-CB 4.08Å; Y174-Q217 HydrophobicContact CE1-CG 4.02Å; Y213-Q217 HydrophobicContact CD1-CG 3.97Å; Y213-Q217 HydrophobicContact CE1-CG 3.63Å; Y213-Q217 HydrophobicContact CE2-CG 4.28Å; Y213-Q217 HydrophobicContact CG-CG 4.45Å; Y213-Q217 WeakPolarHBondContact O-CG 3.43Å; Y213-Q217 PolarHBondContact O-N 2.91Å; L214-Q217 PolarHBondContact O-N 3.46Å; L214-Q217 VanDerWaalsContact O-N 3.11Å; V215-Q217 VanDerWaalsContact C-N 3.33Å; V215-Q217 PolarHBondContact O-N 3.35Å
218E96.4Very high96.3Very high46 Ų4626 Ų2622%0.21514%0.144CC..Hα-helixtrans-107.9-6.6-169.9-59.4-165.8-178.800114.3Q133 V136 H140 Y174 L214 V215 G220Q133-E218 VanDerWaalsContact CG-OE2 3.29Å; Q133-E218 WeakPolarHBondContact CG-OE2 3.46Å; Q133-E218 VanDerWaalsContact NE2-CD 3.34Å; Q133-E218 PolarHBondContact NE2-OE1 2.76Å; Q133-E218 PolarHBondContact NE2-OE2 2.87Å; V136-E218 HydrophobicContact CG1-CB 4.28Å; H140-E218 PolarHBondContact NE2-O 3.29Å; Y174-E218 WeakPolarHBondContact CE2-OE1 3.17Å; Y174-E218 VanDerWaalsContact CZ-OE1 3.28Å; Y174-E218 WeakPolarHBondContact OH-CG 3.44Å; Y174-E218 PolarHBondContact OH-OE1 2.87Å; L214-E218 HydrophobicContact CD2-CB 4.47Å; L214-E218 HydrophobicContact CD2-CG 4.4Å; L214-E218 WeakPolarHBondContact O-CB 3.45Å; L214-E218 PolarHBondContact O-N 2.96Å; V215-E218 PolarHBondContact O-N 3.31Å; E218-G220 PolarHBondContact O-N 3.43Å
219C94.7Very high96.3Very high13 Ų1326.1 Ų26.19%0.08815%0.145CC..  trans-65.9-23.2-179.865.20000113.8H140 V215 N221 L222 V224H140-C219 PolarHBondContact CE1-O 2.77Å; V215-C219 WeakPolarHBondContact O-CB 3.35Å; V215-C219 PolarHBondContact O-N 2.8Å; V215-C219 PolarHBondContact O-SG 3.01Å; C219-N221 PolarHBondContact O-N 3.21Å; C219-N221 VanDerWaalsContact O-N 3.1Å; C219-L222 HydrophobicContact CB-CB 4.33Å; C219-L222 WeakPolarHBondContact O-CB 3.35Å; C219-L222 WeakPolarHBondContact O-CG 3.43Å; C219-L222 PolarHBondContact O-N 2.91Å; C219-V224 HydrophobicContact CB-CG2 3.58Å
220G93.2Very high96.3Very high57 Ų5726.1 Ų26.159%0.58815%0.145SC*.THydrogen-bonded Turntrans50.5-118.7-177.300000112E218E218-G220 PolarHBondContact O-N 3.43Å
221N90.8Very high96.3Very high150 Ų15027.6 Ų27.680%0.80215%0.152SC*.THydrogen-bonded Turntrans-87.2-5180-67.6-28.4000114.6C219 R299C219-N221 PolarHBondContact O-N 3.21Å; C219-N221 VanDerWaalsContact O-N 3.1Å; N221-R299 PolarHBondContact O-NH2 3.08Å
222L93.8Very high96.2Very high26 Ų2629.1 Ų29.114%0.13616%0.161CC..SBendtrans-57.8149-179.8-64.2178.7000111.1V136 A139 L145 C219 V224 R299V136-L222 HydrophobicContact CG1-CD1 4.13Å; A139-L222 HydrophobicContact CB-CD1 3.84Å; L145-L222 HydrophobicContact CD2-CD2 3.88Å; C219-L222 HydrophobicContact CB-CB 4.33Å; C219-L222 WeakPolarHBondContact O-CB 3.35Å; C219-L222 WeakPolarHBondContact O-CG 3.43Å; C219-L222 PolarHBondContact O-N 2.91Å; L222-V224 HydrophobicContact CB-CG2 4.06Å; L222-R299 PolarHBondContact O-NH1 2.98Å
223N94.3Very high96.1Very high23 Ų2329.1 Ų29.112%0.12316%0.161CC..  trans-88.7109.7172.2-163.123.4000110.4E146 V147 F148 S292 R299E146-N223 WeakPolarHBondContact O-CB 3.36Å; E146-N223 PolarHBondContact O-ND2 3.49Å; V147-N223 CarbonylContact C-O 3.42Å; V147-N223 WeakPolarHBondContact CA-O 3.2Å; F148-N223 PolarHBondContact N-O 3.17Å; N223-S292 VanDerWaalsContact ND2-C 3.32Å; N223-S292 PolarHBondContact ND2-O 3.05Å; N223-R299 WeakPolarHBondContact OD1-CD 3.21Å; N223-R299 PolarHBondContact OD1-NH1 2.76Å
224V96.2Very high96.1Very high7 Ų726.8 Ų26.84%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-119.2135.4-172.9-178.20000111F148 V215 C219 L222 I226 I303F148-V224 HydrophobicContact CB-CG2 4.36Å; F148-V224 HydrophobicContact CD1-CG1 4.46Å; F148-V224 HydrophobicContact CD1-CG2 4.5Å; F148-V224 VanDerWaalsContact O-CA 3.28Å; F148-V224 WeakPolarHBondContact O-CA 3.38Å; V215-V224 HydrophobicContact CG1-CG1 3.56Å; V215-V224 HydrophobicContact CG1-CG2 4.42Å; C219-V224 HydrophobicContact CB-CG2 3.58Å; L222-V224 HydrophobicContact CB-CG2 4.06Å; V224-I226 HydrophobicContact CG1-CG1 4.44Å; V224-I303 HydrophobicContact CB-CD1 4.09Å; V224-I303 HydrophobicContact CB-CG1 4.15Å; V224-I303 HydrophobicContact CB-CG2 4.45Å; V224-I303 HydrophobicContact CG1-CD1 4.04Å; V224-I303 HydrophobicContact CG1-CG1 4.44Å; V224-I303 HydrophobicContact CG1-CG2 4.11Å
225A97.3Very high96.1Very high0 Ų026.9 Ų26.90%015%0.153CC..EExtended strand (participates in β ladder)trans-124.3146.8166.400000109.8F148 L149 H150 L304 Y306F148-A225 PolarHBondContact O-N 3.22Å; L149-A225 WeakPolarHBondContact CA-O 3.4Å; L149-A225 HydrophobicContact CD1-CB 4.49Å; L149-A225 HydrophobicContact CG-CB 4.42Å; H150-A225 PolarHBondContact N-O 2.91Å; A225-L304 WeakPolarHBondContact CA-O 3.33Å; A225-Y306 HydrophobicContact CB-CE2 4.19Å
226I98.6Very high96.1Very high0 Ų028 Ų280%016%0.157CC..EExtended strand (participates in β ladder)trans-119.4125.5177.1-61.1174.6000109.2H150 V167 E212 V224 R228 I303 L304 V305 Y306H150-I226 HydrophobicContact CB-CG1 4.33Å; H150-I226 WeakPolarHBondContact O-CA 3.3Å; V167-I226 HydrophobicContact CG2-CD1 3.74Å; E212-I226 HydrophobicContact CB-CD1 4.16Å; E212-I226 HydrophobicContact CG-CD1 4.2Å; E212-I226 HydrophobicContact CG-CG2 4.24Å; V224-I226 HydrophobicContact CG1-CG1 4.44Å; I226-R228 HydrophobicContact CG2-CG 4.25Å; I226-I303 HydrophobicContact CD1-CG2 3.82Å; I226-I303 HydrophobicContact CG1-CG2 3.82Å; I226-L304 PolarHBondContact N-O 3.21Å; I226-V305 HydrophobicContact CB-CG1 4.29Å; I226-V305 HydrophobicContact CB-CG2 4.25Å; I226-V305 HydrophobicContact CD1-CG2 4.4Å; I226-V305 HydrophobicContact CG2-CG1 4.26Å; I226-V305 CarbonylContact O-C 3.59Å; I226-V305 WeakPolarHBondContact O-CA 3.37Å; I226-Y306 PolarHBondContact O-N 3.28Å
227I98.5Very high96.1Very high0 Ų028.6 Ų28.60%016%0.159CC..EExtended strand (participates in β ladder)trans-102.4127.7171.2-58.8-62000109.1L149 H150 S152 P229 V281 T284 A288 Y306 C308L149-I227 HydrophobicContact CD1-CD1 4.48Å; L149-I227 HydrophobicContact CD1-CG1 3.93Å; L149-I227 HydrophobicContact CD2-CB 4.4Å; L149-I227 HydrophobicContact CD2-CG1 3.77Å; L149-I227 HydrophobicContact CG-CG1 4.12Å; H150-I227 PolarHBondContact O-N 3.29Å; S152-I227 PolarHBondContact N-O 3.5Å; I227-P229 VanDerWaalsContact O-CD 3.3Å; I227-P229 WeakPolarHBondContact O-CD 3.47Å; I227-V281 HydrophobicContact CG2-CG1 4.35Å; I227-T284 HydrophobicContact CD1-CG2 4.18Å; I227-A288 HydrophobicContact CD1-CB 3.62Å; I227-Y306 HydrophobicContact CD1-CD2 3.66Å; I227-Y306 HydrophobicContact CD1-CG 3.87Å; I227-C308 HydrophobicContact CG2-CB 4.32Å
228R98.5Very high95.9Very high0 Ų025.6 Ų25.60%015%0.145CC..EExtended strand (participates in β ladder)trans-113.886.5177.6-77.8179.2178.2158.35.2110E164 V166 E212 I226 V305 Y306 N307 C308E164-R228 PolarHBondContact O-NH1 2.7Å; V166-R228 PolarHBondContact O-NH1 3.16Å; V166-R228 PolarHBondContact O-NH2 3.01Å; E212-R228 WeakPolarHBondContact OE1-CG 3.35Å; E212-R228 IonicContact OE1-CZ 3.87Å; E212-R228 IonicContact OE1-NE 2.65Å; E212-R228 PolarHBondContact OE1-NE 3.18Å; E212-R228 IonicContact OE1-NH2 2.77Å; E212-R228 IonicContact OE2-CZ 3.45Å; E212-R228 IonicContact OE2-NE 2.72Å; E212-R228 PolarHBondContact OE2-NE 3.41Å; E212-R228 IonicContact OE2-NH2 3.66Å; E212-R228 PolarHBondContact OE2-NH2 3.35Å; I226-R228 HydrophobicContact CG2-CG 4.25Å; R228-V305 HydrophobicContact CG-CG1 4.16Å; R228-Y306 PolarHBondContact N-O 3.47Å; R228-N307 WeakPolarHBondContact CD-OD1 3.29Å; R228-C308 PolarHBondContact O-N 3.09Å
229P97.9Very high95.4Very high6 Ų623.8 Ų23.84%0.03914%0.137CC..EExtended strand (participates in β ladder)trans-72146172.530.5-33.4000111.7M22 V151 S152 T153 A154 I227 V232 V276 V281 C308M22-P229 HydrophobicContact CE-CG 4.39Å; V151-P229 HydrophobicContact CG1-CG 4.2Å; S152-P229 WeakPolarHBondContact O-CD 3.48Å; T153-P229 CarbonylContact C-O 3.49Å; T153-P229 WeakPolarHBondContact CA-O 3.25Å; T153-P229 PolarHBondContact OG1-O 3.47Å; A154-P229 PolarHBondContact N-O 3.48Å; I227-P229 VanDerWaalsContact O-CD 3.3Å; I227-P229 WeakPolarHBondContact O-CD 3.47Å; P229-V232 HydrophobicContact CB-CG2 3.85Å; P229-V232 HydrophobicContact CG-CG2 4.34Å; P229-V276 HydrophobicContact CB-CG1 4.41Å; P229-V281 HydrophobicContact CB-CB 4.49Å; P229-V281 HydrophobicContact CB-CG1 3.75Å; P229-V281 HydrophobicContact CB-CG2 3.83Å; P229-V281 HydrophobicContact CG-CG1 4.26Å; P229-C308 WeakPolarHBondContact CA-O 3.4Å
230S96.4Very high95.3Very high5 Ų525.3 Ų25.34%0.03514%0.142CC..  trans-77.4-147.1165.366.80000111.6V232 D274 V276 C308S230-V232 PolarHBondContact O-N 2.92Å; S230-D274 WeakPolarHBondContact CB-O 3.36Å; S230-D274 PolarHBondContact OG-O 3.18Å; S230-V276 WeakPolarHBondContact OG-CG1 3.33Å; S230-C308 PolarHBondContact N-O 3.17Å; S230-C308 VanDerWaalsContact N-O 3.1Å
231I95.4Very high95.5Very high32 Ų3225.7 Ų25.716%0.16413%0.134CC..EExtended strand (participates in β ladder)trans-73.3103-177.4-58.3171000108.6Y155 G233 P250 D274 L275 V276 W318Y155-I231 HydrophobicContact CE2-CG1 3.69Å; Y155-I231 WeakPolarHBondContact OH-CG1 3.21Å; I231-G233 PolarHBondContact O-N 3.24Å; I231-P250 HydrophobicContact CG2-CG 3.73Å; I231-D274 WeakPolarHBondContact CB-O 3.49Å; I231-D274 PolarHBondContact N-O 3.21Å; I231-L275 HydrophobicContact CB-CD2 3.96Å; I231-L275 HydrophobicContact CG2-CD2 3.66Å; I231-L275 CarbonylContact O-C 3.17Å; I231-L275 WeakPolarHBondContact O-CA 3.4Å; I231-V276 PolarHBondContact O-N 3.1Å; I231-W318 HydrophobicContact CD1-CH2 4.2Å; I231-W318 HydrophobicContact CD1-CZ2 4.02Å
232V96.3Very high95.7Very high32 Ų3218.6 Ų18.619%0.19410%0.096CC..EExtended strand (participates in β ladder)trans-71.4121.2-178.3-167.30000110.9F21 M22 P229 S230 V276 V278 V281F21-V232 HydrophobicContact CD1-CG1 4.45Å; F21-V232 HydrophobicContact CE1-CG1 3.86Å; M22-V232 HydrophobicContact CG-CG1 4.37Å; M22-V232 HydrophobicContact SD-CG2 4.01Å; P229-V232 HydrophobicContact CB-CG2 3.85Å; P229-V232 HydrophobicContact CG-CG2 4.34Å; S230-V232 PolarHBondContact O-N 2.92Å; V232-V276 CarbonylContact C-O 3.53Å; V232-V276 VanDerWaalsContact CA-O 3.29Å; V232-V276 WeakPolarHBondContact CA-O 3.48Å; V232-V276 HydrophobicContact CG2-CG1 4.17Å; V232-V278 HydrophobicContact CG1-CB 3.69Å; V232-V278 HydrophobicContact CG1-CG2 3.98Å; V232-V281 HydrophobicContact CG2-CG2 4.31Å
233G96.1Very high95.8Very high0 Ų017.8 Ų17.80%09%0.091CC..EExtended strand (participates in β ladder)trans-106.7-166.317800000113.3F21 I231 V276 V278F21-G233 WeakPolarHBondContact CZ-O 3.44Å; I231-G233 PolarHBondContact O-N 3.24Å; G233-V276 PolarHBondContact N-O 3.39Å; G233-V278 PolarHBondContact O-N 3.18Å
234A97.1Very high95.8Very high0 Ų016.7 Ų16.70%09%0.086CC..SBendtrans-60.9161.1173.700000112W243 I244 P277 Y436 Y440A234-W243 VanDerWaalsContact CA-O 3.32Å; A234-W243 WeakPolarHBondContact CA-O 3.29Å; A234-W243 WeakPolarHBondContact CB-O 3.39Å; A234-I244 HydrophobicContact CB-CB 4.01Å; A234-I244 HydrophobicContact CB-CG2 4.31Å; A234-P277 WeakPolarHBondContact O-CA 3.48Å; A234-Y436 PolarHBondContact N-OH 3.49Å; A234-Y436 WeakPolarHBondContact O-CE2 3.48Å; A234-Y436 PolarHBondContact O-OH 2.9Å; A234-Y440 HydrophobicContact CB-CD1 4.17Å; A234-Y440 HydrophobicContact CB-CD2 3.33Å; A234-Y440 HydrophobicContact CB-CE1 4.44Å; A234-Y440 HydrophobicContact CB-CE2 3.71Å; A234-Y440 HydrophobicContact CB-CG 3.63Å
235S97.3Very high95.6Very high1 Ų119.1 Ų19.11%0.00710%0.098CC..  trans-61143.2174.553.50000111.7E238 F240 G242 W243 D279S235-E238 WeakPolarHBondContact CB-O 3.48Å; S235-F240 PolarHBondContact OG-O 3.09Å; S235-G242 PolarHBondContact O-N 3.46Å; S235-G242 PolarHBondContact OG-N 2.94Å; S235-W243 PolarHBondContact N-O 2.93Å; S235-W243 VanDerWaalsContact N-O 3.07Å; S235-W243 WeakPolarHBondContact OG-CA 3.48Å; S235-W243 VanDerWaalsContact OG-CB 3.28Å; S235-W243 WeakPolarHBondContact OG-CB 3.5Å; S235-W243 PolarHBondContact OG-N 3.37Å; S235-D279 WeakPolarHBondContact CA-OD1 3.47Å
236W97.8Very high95.2Very high23 Ų2320.1 Ų20.19%0.08710%0.104CC..SBendtrans-85-52172.8172.830.9000111.1P241 P277 D279 V280 Q430 L431 Y436W236-P241 WeakPolarHBondContact O-CA 3.4Å; W236-P241 WeakPolarHBondContact O-CB 3.32Å; W236-P277 HydrophobicContact CB-CB 3.65Å; W236-P277 HydrophobicContact CB-CG 3.74Å; W236-D279 PolarHBondContact N-OD1 2.78Å; W236-D279 PolarHBondContact N-OD2 3.4Å; W236-V280 HydrophobicContact CE3-CG2 4.06Å; W236-Q430 HydrophobicContact CH2-CB 3.68Å; W236-Q430 HydrophobicContact CZ2-CB 4.34Å; W236-Q430 WeakPolarHBondContact CZ2-O 3.44Å; W236-L431 HydrophobicContact CB-CD1 4.15Å; W236-L431 VanDerWaalsContact CD1-CD1 3.44Å; W236-L431 HydrophobicContact CD2-CD1 3.43Å; W236-L431 VanDerWaalsContact CD2-CD1 3.43Å; W236-L431 VanDerWaalsContact CE2-CD1 3.47Å; W236-L431 HydrophobicContact CE3-CD1 4.13Å; W236-L431 HydrophobicContact CG-CD1 3.42Å; W236-L431 VanDerWaalsContact CG-CD1 3.42Å; W236-L431 HydrophobicContact CH2-CB 4.39Å; W236-L431 HydrophobicContact CZ2-CB 4.27Å; W236-L431 HydrophobicContact CZ2-CD1 4.18Å; W236-Y436 HydrophobicContact CB-CD2 4.08Å; W236-Y436 HydrophobicContact CB-CE2 4.17Å; W236-Y436 HydrophobicContact CG-CD2 4.43Å
237K95.4Very high94.6Very high85 Ų8525.6 Ų25.637%0.3713%0.128SC..SBendtrans-119-47.5-177.5-66.4179.3-178.5172.60112.2F240 D279 N425K237-F240 CarbonylContact O-C 3.58Å; K237-F240 VanDerWaalsContact O-C 3.32Å; K237-F240 WeakPolarHBondContact O-CA 3.4Å; K237-F240 PolarHBondContact O-N 2.87Å; K237-D279 WeakPolarHBondContact CA-OD2 3.31Å; K237-D279 PolarHBondContact N-OD2 3.4Å; K237-N425 PolarHBondContact NZ-ND2 3.13Å; K237-N425 VanDerWaalsContact NZ-ND2 3.15Å
238E92.4Very high93.8Very high31 Ų3130 Ų3015%0.14515%0.151CC..SBendtrans-120.1145.4-165.6-62.6-159.8134.900114.6K29 R32 R67 S235 F240 D279K29-E238 WeakPolarHBondContact CD-OE2 3.43Å; K29-E238 WeakPolarHBondContact CE-OE2 3.32Å; K29-E238 IonicContact NZ-OE1 3.72Å; K29-E238 IonicContact NZ-OE2 2.76Å; K29-E238 PolarHBondContact NZ-OE2 3.08Å; R32-E238 IonicContact CZ-OE1 3.14Å; R32-E238 IonicContact CZ-OE2 3.79Å; R32-E238 IonicContact NH1-OE1 3.8Å; R32-E238 PolarHBondContact NH1-OE1 2.98Å; R32-E238 IonicContact NH1-OE2 3.41Å; R32-E238 VanDerWaalsContact NH2-CD 3.27Å; R32-E238 IonicContact NH2-OE1 2.87Å; R32-E238 PolarHBondContact NH2-OE1 3.46Å; R32-E238 IonicContact NH2-OE2 2.8Å; R32-E238 PolarHBondContact NH2-OE2 3.33Å; R67-E238 IonicContact CZ-OE1 2.74Å; R67-E238 IonicContact NH1-OE1 3.86Å; R67-E238 PolarHBondContact NH1-OE1 3.48Å; R67-E238 IonicContact NH2-OE1 2.64Å; S235-E238 WeakPolarHBondContact CB-O 3.48Å; E238-F240 VanDerWaalsContact C-N 3.26Å; E238-D279 HydrophobicContact CB-CB 4.3Å; E238-D279 PolarHBondContact N-OD2 2.92Å; E238-D279 WeakPolarHBondContact O-CB 3.48Å
239P85.7Confident92.9Very high8 Ų831.5 Ų31.55%0.05217%0.167CC..SBendcis-68.6-20.9-3.628.7-36000113.5L64L64-P239 VanDerWaalsContact CD1-CD 3.48Å; L64-P239 HydrophobicContact CD1-CG 3.31Å; L64-P239 HydrophobicContact CG-CG 4.16Å
240F92.3Very high92.4Very high45 Ų4531.8 Ų31.820%0.19717%0.169CC..SBendtrans-154.3158166.742.5-96.5000109.7K63 S235 K237 E238 W243 Y447K63-F240 HydrophobicContact CB-CZ 4.35Å; K63-F240 WeakPolarHBondContact O-CE1 3.43Å; S235-F240 PolarHBondContact OG-O 3.09Å; K237-F240 CarbonylContact O-C 3.58Å; K237-F240 VanDerWaalsContact O-C 3.32Å; K237-F240 WeakPolarHBondContact O-CA 3.4Å; K237-F240 PolarHBondContact O-N 2.87Å; E238-F240 VanDerWaalsContact C-N 3.26Å; F240-W243 HydrophobicContact CD2-CB 3.86Å; F240-W243 HydrophobicContact CE2-CB 3.49Å; F240-W243 VanDerWaalsContact CE2-CB 3.49Å; F240-W243 AromaticContact CE2-CD1 3.36Å; F240-W243 AromaticContact CE2-CG 3.74Å; F240-W243 HydrophobicContact CE2-CG 3.74Å; F240-W243 HydrophobicContact CZ-CB 4.15Å; F240-W243 AromaticContact CZ-CD1 3.32Å; F240-W243 AromaticContact CZ-CG 3.95Å; F240-W243 HydrophobicContact CZ-CG 3.95Å; F240-Y447 HydrophobicContact CD2-CE2 4.31Å; F240-Y447 WeakPolarHBondContact CD2-OH 3.24Å; F240-Y447 AromaticContact CE2-CE1 3.91Å; F240-Y447 HydrophobicContact CE2-CE1 3.91Å; F240-Y447 AromaticContact CE2-CE2 3.74Å; F240-Y447 HydrophobicContact CE2-CE2 3.74Å; F240-Y447 AromaticContact CE2-CZ 3.32Å; F240-Y447 WeakPolarHBondContact CE2-OH 3.23Å; F240-Y447 HydrophobicContact CZ-CE1 4.33Å
241P96.4Very high92.2Very high66 Ų6631.6 Ų31.643%0.42917%0.168SC..THydrogen-bonded Turntrans-60138.5-177.2-2635.4000113.9W236 W243 N439W236-P241 WeakPolarHBondContact O-CA 3.4Å; W236-P241 WeakPolarHBondContact O-CB 3.32Å; P241-W243 VanDerWaalsContact C-N 3.31Å; P241-W243 PolarHBondContact O-N 3.15Å; P241-N439 HydrophobicContact CB-CB 4.35Å
242G96Very high92.2Very high0 Ų031 Ų310%017%0.17CC..THydrogen-bonded Turntrans75.810.2174.600000115.2S235 I244 N439 G443S235-G242 PolarHBondContact O-N 3.46Å; S235-G242 PolarHBondContact OG-N 2.94Å; G242-I244 PolarHBondContact O-N 2.9Å; G242-N439 WeakPolarHBondContact CA-O 3.42Å; G242-G443 WeakPolarHBondContact O-CA 3.38Å
243W96.2Very high92Very high9 Ų930.5 Ų30.53%0.03417%0.165CC..  trans-64.7130.4175.4-175.278000111.3F21 V25 L64 A234 S235 F240 P241 D245F21-W243 HydrophobicContact CD2-CE3 4.47Å; F21-W243 AromaticContact CD2-CH2 3.91Å; F21-W243 HydrophobicContact CD2-CH2 3.91Å; F21-W243 AromaticContact CD2-CZ3 3.54Å; F21-W243 HydrophobicContact CD2-CZ3 3.54Å; F21-W243 AromaticContact CE2-CE3 3.77Å; F21-W243 HydrophobicContact CE2-CE3 3.77Å; F21-W243 HydrophobicContact CE2-CH2 4.04Å; F21-W243 AromaticContact CE2-CZ3 3.24Å; F21-W243 HydrophobicContact CE2-CZ3 3.24Å; F21-W243 HydrophobicContact CZ-CZ3 4.37Å; V25-W243 HydrophobicContact CG2-CE3 3.9Å; V25-W243 HydrophobicContact CG2-CH2 4.08Å; V25-W243 HydrophobicContact CG2-CZ3 3.28Å; L64-W243 HydrophobicContact CB-CH2 4.36Å; L64-W243 HydrophobicContact CB-CZ2 3.62Å; L64-W243 HydrophobicContact CD1-CD2 3.45Å; L64-W243 VanDerWaalsContact CD1-CD2 3.45Å; L64-W243 VanDerWaalsContact CD1-CE2 3.48Å; L64-W243 HydrophobicContact CD1-CE3 3.51Å; L64-W243 HydrophobicContact CD1-CG 4.19Å; L64-W243 HydrophobicContact CD1-CH2 3.67Å; L64-W243 HydrophobicContact CD1-CZ2 3.61Å; L64-W243 HydrophobicContact CD1-CZ3 3.62Å; L64-W243 HydrophobicContact CD2-CH2 3.77Å; L64-W243 HydrophobicContact CD2-CZ2 3.87Å; L64-W243 HydrophobicContact CD2-CZ3 4.36Å; L64-W243 HydrophobicContact CG-CH2 4.15Å; L64-W243 HydrophobicContact CG-CZ2 3.9Å; A234-W243 VanDerWaalsContact CA-O 3.32Å; A234-W243 WeakPolarHBondContact CA-O 3.29Å; A234-W243 WeakPolarHBondContact CB-O 3.39Å; S235-W243 PolarHBondContact N-O 2.93Å; S235-W243 VanDerWaalsContact N-O 3.07Å; S235-W243 WeakPolarHBondContact OG-CA 3.48Å; S235-W243 VanDerWaalsContact OG-CB 3.28Å; S235-W243 WeakPolarHBondContact OG-CB 3.5Å; S235-W243 PolarHBondContact OG-N 3.37Å; F240-W243 HydrophobicContact CD2-CB 3.86Å; F240-W243 HydrophobicContact CE2-CB 3.49Å; F240-W243 VanDerWaalsContact CE2-CB 3.49Å; F240-W243 AromaticContact CE2-CD1 3.36Å; F240-W243 AromaticContact CE2-CG 3.74Å; F240-W243 HydrophobicContact CE2-CG 3.74Å; F240-W243 HydrophobicContact CZ-CB 4.15Å; F240-W243 AromaticContact CZ-CD1 3.32Å; F240-W243 AromaticContact CZ-CG 3.95Å; F240-W243 HydrophobicContact CZ-CG 3.95Å; P241-W243 VanDerWaalsContact C-N 3.31Å; P241-W243 PolarHBondContact O-N 3.15Å; W243-D245 HydrophobicContact CH2-CB 4.25Å; W243-D245 HydrophobicContact CZ2-CB 3.88Å
244I94.8Very high92Very high1 Ų130.8 Ų30.81%0.00517%0.167CC..  trans-161.1138.6178.5-177.965000108.3F21 A234 G242 S251 Y440 T444 Y447 V448F21-I244 HydrophobicContact CD2-CD1 4.14Å; F21-I244 HydrophobicContact CE1-CD1 3.9Å; F21-I244 HydrophobicContact CE2-CD1 3.47Å; F21-I244 VanDerWaalsContact CE2-CD1 3.47Å; F21-I244 HydrophobicContact CZ-CD1 3.34Å; A234-I244 HydrophobicContact CB-CB 4.01Å; A234-I244 HydrophobicContact CB-CG2 4.31Å; G242-I244 PolarHBondContact O-N 2.9Å; I244-S251 WeakPolarHBondContact CG1-OG 3.44Å; I244-Y440 HydrophobicContact CG1-CE2 4.39Å; I244-Y440 HydrophobicContact CG2-CE2 4.38Å; I244-T444 HydrophobicContact CG2-CG2 4.2Å; I244-Y447 WeakPolarHBondContact O-CB 3.39Å; I244-V448 HydrophobicContact CG1-CG2 4.28Å; I244-V448 HydrophobicContact CG2-CG2 3.88Å
245D90.8Very high92Very high57 Ų5731.4 Ų31.431%0.30517%0.17SC..  trans-122.29.1-174.275.6-19000114.1F21 K24 W243F21-D245 WeakPolarHBondContact CD2-OD1 3.3Å; K24-D245 IonicContact NZ-OD2 3.62Å; K24-D245 PolarHBondContact NZ-OD2 3.28Å; W243-D245 HydrophobicContact CH2-CB 4.25Å; W243-D245 HydrophobicContact CZ2-CB 3.88Å
246N89.3Confident91.9Very high22 Ų2231.9 Ų31.912%0.11817%0.174CC..  trans-142.7159.4-172.464.879000113.4F21 N248 S251F21-N246 WeakPolarHBondContact CB-ND2 3.42Å; F21-N246 WeakPolarHBondContact CD2-ND2 3.27Å; F21-N246 WeakPolarHBondContact CG-ND2 3.49Å; N246-N248 VanDerWaalsContact C-N 3.32Å; N246-N248 VanDerWaalsContact OD1-CB 3.32Å; N246-N248 WeakPolarHBondContact OD1-CB 3.48Å; N246-N248 PolarHBondContact OD1-N 3.49Å; N246-N248 VanDerWaalsContact OD1-N 3.09Å; N246-S251 VanDerWaalsContact O-CB 3.32Å; N246-S251 WeakPolarHBondContact O-CB 3.33Å
247F86.3Confident91.9Very high115 Ų11531 Ų3150%0.50417%0.172SC..  trans-89.85.3175.6-69.2-91.4000113G252 I255 V448 L449F247-G252 WeakPolarHBondContact O-CA 3.23Å; F247-G252 PolarHBondContact O-N 3.27Å; F247-I255 HydrophobicContact CD1-CD1 3.73Å; F247-I255 HydrophobicContact CE1-CD1 3.6Å; F247-V448 HydrophobicContact CD1-CG1 3.7Å; F247-V448 HydrophobicContact CD2-CG1 3.72Å; F247-V448 HydrophobicContact CE1-CG1 3.43Å; F247-V448 VanDerWaalsContact CE1-CG1 3.43Å; F247-V448 HydrophobicContact CE2-CG1 3.43Å; F247-V448 VanDerWaalsContact CE2-CG1 3.43Å; F247-V448 HydrophobicContact CG-CG1 3.84Å; F247-V448 HydrophobicContact CZ-CG1 3.29Å; F247-L449 HydrophobicContact CE1-CD2 4.09Å; F247-L449 HydrophobicContact CZ-CD2 4.21Å
248N81.6Confident91.9Very high91 Ų9127 Ų2749%0.48715%0.154SC..THydrogen-bonded Turntrans-71.8150-171.4-60-30.2000111N246 S251N246-N248 VanDerWaalsContact C-N 3.32Å; N246-N248 VanDerWaalsContact OD1-CB 3.32Å; N246-N248 WeakPolarHBondContact OD1-CB 3.48Å; N246-N248 PolarHBondContact OD1-N 3.49Å; N246-N248 VanDerWaalsContact OD1-N 3.09Å; N248-S251 PolarHBondContact O-N 2.86Å
249G79.1Confident92.1Very high33 Ų3327.2 Ų27.234%0.3416%0.155SC..THydrogen-bonded Turntrans54.9-126.2176.400000113.4S251G249-S251 PolarHBondContact O-N 2.94Å
250P88Confident92.6Very high12 Ų1226.9 Ų26.98%0.07815%0.152CC..Hα-helixtrans-65.4-31.4-173.320.4-27.6000114.2I231 G252 I253 F254 L275 Y440I231-P250 HydrophobicContact CG2-CG 3.73Å; P250-G252 PolarHBondContact O-N 3.2Å; P250-I253 PolarHBondContact O-N 3.37Å; P250-I253 VanDerWaalsContact O-N 3.12Å; P250-F254 HydrophobicContact CB-CD2 4.44Å; P250-F254 HydrophobicContact CB-CE1 4.15Å; P250-F254 HydrophobicContact CB-CE2 3.85Å; P250-F254 HydrophobicContact CB-CZ 3.67Å; P250-F254 WeakPolarHBondContact O-CD1 3.48Å; P250-F254 VanDerWaalsContact O-CG 3.22Å; P250-F254 WeakPolarHBondContact O-CG 3.37Å; P250-F254 PolarHBondContact O-N 2.94Å; P250-L275 HydrophobicContact CB-CD2 4.37Å; P250-L275 HydrophobicContact CG-CD2 4.07Å; P250-Y440 WeakPolarHBondContact CG-OH 3.33Å
251S93Very high92.8Very high1 Ų125.9 Ų25.91%0.00715%0.149CC..Hα-helixtrans-56.7-46.9-177.5-57.10000112.7I244 N246 N248 G249 I253 F254 I255 Y440I244-S251 WeakPolarHBondContact CG1-OG 3.44Å; N246-S251 VanDerWaalsContact O-CB 3.32Å; N246-S251 WeakPolarHBondContact O-CB 3.33Å; N248-S251 PolarHBondContact O-N 2.86Å; G249-S251 PolarHBondContact O-N 2.94Å; S251-I253 VanDerWaalsContact C-N 3.35Å; S251-I253 PolarHBondContact O-N 3.38Å; S251-F254 PolarHBondContact O-N 2.94Å; S251-I255 VanDerWaalsContact O-CG1 3.31Å; S251-I255 WeakPolarHBondContact O-CG1 3.36Å; S251-I255 PolarHBondContact O-N 3.43Å; S251-Y440 PolarHBondContact N-OH 2.88Å; S251-Y440 WeakPolarHBondContact OG-CE2 3.5Å; S251-Y440 PolarHBondContact OG-OH 3.48Å
252G93.4Very high92.8Very high20 Ų2022.9 Ų22.921%0.20613%0.129CC..Hα-helixtrans-65.2-36.9178.500000113.1F247 P250 A256F247-G252 WeakPolarHBondContact O-CA 3.23Å; F247-G252 PolarHBondContact O-N 3.27Å; P250-G252 PolarHBondContact O-N 3.2Å; G252-A256 WeakPolarHBondContact O-CB 3.1Å; G252-A256 PolarHBondContact O-N 2.93Å
253I93.8Very high92.8Very high20 Ų2024.7 Ų24.710%0.10314%0.136CC..Hα-helixtrans-68.1-43.9176.9-63.4-59.9000110.8P250 S251 A256 A257 L262 M265 L387 M391 L394P250-I253 PolarHBondContact O-N 3.37Å; P250-I253 VanDerWaalsContact O-N 3.12Å; S251-I253 VanDerWaalsContact C-N 3.35Å; S251-I253 PolarHBondContact O-N 3.38Å; I253-A256 PolarHBondContact O-N 2.76Å; I253-A257 WeakPolarHBondContact O-CB 3.49Å; I253-A257 PolarHBondContact O-N 3.15Å; I253-L262 HydrophobicContact CG2-CD2 3.68Å; I253-M265 HydrophobicContact CG2-SD 4.3Å; I253-L387 HydrophobicContact CD1-CD1 4.07Å; I253-M391 HydrophobicContact CD1-CG 4.33Å; I253-L394 HydrophobicContact CD1-CD1 4.15Å; I253-L394 HydrophobicContact CG1-CD1 3.75Å
254F95.9Very high92.8Very high7 Ų724.3 Ų24.33%0.03114%0.135CC..Hα-helixtrans-63.4-43.8177.4-61.9-13.1000111.5P250 S251 A256 A257 G258 V321 V325 F329 M437 Y440P250-F254 HydrophobicContact CB-CD2 4.44Å; P250-F254 HydrophobicContact CB-CE1 4.15Å; P250-F254 HydrophobicContact CB-CE2 3.85Å; P250-F254 HydrophobicContact CB-CZ 3.67Å; P250-F254 WeakPolarHBondContact O-CD1 3.48Å; P250-F254 VanDerWaalsContact O-CG 3.22Å; P250-F254 WeakPolarHBondContact O-CG 3.37Å; P250-F254 PolarHBondContact O-N 2.94Å; S251-F254 PolarHBondContact O-N 2.94Å; F254-A256 PolarHBondContact O-N 3.15Å; F254-A257 WeakPolarHBondContact O-CB 3.11Å; F254-A257 PolarHBondContact O-N 3.07Å; F254-G258 PolarHBondContact O-N 3.38Å; F254-V321 HydrophobicContact CE1-CG1 3.58Å; F254-V321 HydrophobicContact CZ-CG1 3.73Å; F254-V325 HydrophobicContact CB-CG1 4.2Å; F254-V325 HydrophobicContact CD1-CG1 4.23Å; F254-V325 HydrophobicContact CD1-CG2 3.71Å; F254-V325 HydrophobicContact CD2-CG2 4.26Å; F254-V325 HydrophobicContact CE1-CG2 3.85Å; F254-V325 HydrophobicContact CE2-CG2 4.36Å; F254-V325 HydrophobicContact CG-CG1 4.33Å; F254-V325 HydrophobicContact CG-CG2 3.94Å; F254-V325 HydrophobicContact CZ-CG2 4.17Å; F254-F329 HydrophobicContact CB-CE2 4.3Å; F254-F329 VanDerWaalsContact O-CE2 3.22Å; F254-F329 WeakPolarHBondContact O-CE2 3.12Å; F254-M437 HydrophobicContact CD2-CE 4.39Å; F254-M437 HydrophobicContact CE2-CE 3.62Å; F254-M437 HydrophobicContact CZ-CE 3.73Å; F254-Y440 HydrophobicContact CD2-CD1 4.44Å; F254-Y440 HydrophobicContact CD2-CE1 4.26Å; F254-Y440 HydrophobicContact CD2-CE2 4.48Å; F254-Y440 AromaticContact CE2-CD1 3.9Å; F254-Y440 HydrophobicContact CE2-CD1 3.9Å; F254-Y440 AromaticContact CE2-CE1 3.67Å; F254-Y440 HydrophobicContact CE2-CE1 3.67Å
255I96.4Very high92.8Very high12 Ų1224.6 Ų24.66%0.06214%0.136CC..Hα-helixtrans-61-45.1174.4-70.4167.9000111.1F247 S251 A257 G258 K259 L334 T444 V448 L449F247-I255 HydrophobicContact CD1-CD1 3.73Å; F247-I255 HydrophobicContact CE1-CD1 3.6Å; S251-I255 VanDerWaalsContact O-CG1 3.31Å; S251-I255 WeakPolarHBondContact O-CG1 3.36Å; S251-I255 PolarHBondContact O-N 3.43Å; I255-A257 VanDerWaalsContact C-N 3.3Å; I255-A257 PolarHBondContact O-N 3.15Å; I255-G258 PolarHBondContact O-N 2.91Å; I255-K259 HydrophobicContact CG2-CD 4.47Å; I255-K259 PolarHBondContact O-N 2.94Å; I255-L334 HydrophobicContact CG2-CD1 4.33Å; I255-T444 HydrophobicContact CG1-CG2 4.44Å; I255-V448 HydrophobicContact CD1-CB 4.23Å; I255-V448 HydrophobicContact CD1-CG1 3.65Å; I255-L449 HydrophobicContact CD1-CD1 4.4Å; I255-L449 HydrophobicContact CD1-CD2 4.27Å; I255-L449 HydrophobicContact CD1-CG 4.12Å; I255-L449 HydrophobicContact CG1-CD1 4.2Å; I255-L449 HydrophobicContact CG1-CG 4.46Å; I255-L449 HydrophobicContact CG2-CD1 4.04Å; I255-L449 HydrophobicContact CG2-CD2 4.08Å; I255-L449 HydrophobicContact CG2-CG 4.47Å
256A96.3Very high92.9Very high11 Ų1124 Ų249%0.09113%0.129CC..Hα-helixtrans-63.4-37.2178.500000112.1G252 I253 F254 G260 I261 L262 L387G252-A256 WeakPolarHBondContact O-CB 3.1Å; G252-A256 PolarHBondContact O-N 2.93Å; I253-A256 PolarHBondContact O-N 2.76Å; F254-A256 PolarHBondContact O-N 3.15Å; A256-G260 PolarHBondContact O-N 3.3Å; A256-I261 PolarHBondContact O-N 3.43Å; A256-L262 HydrophobicContact CB-CB 3.97Å; A256-L262 PolarHBondContact O-N 3.33Å; A256-L387 HydrophobicContact CB-CD1 3.77Å; A256-L387 HydrophobicContact CB-CD2 4.46Å
257A96.6Very high93.2Very high5 Ų522.9 Ų22.94%0.04112%0.124CC..Hα-helixtrans-64.4-48172.300000111.6I253 F254 I255 K259 G260 L262 V325 I326 V343I253-A257 WeakPolarHBondContact O-CB 3.49Å; I253-A257 PolarHBondContact O-N 3.15Å; F254-A257 WeakPolarHBondContact O-CB 3.11Å; F254-A257 PolarHBondContact O-N 3.07Å; I255-A257 VanDerWaalsContact C-N 3.3Å; I255-A257 PolarHBondContact O-N 3.15Å; A257-K259 PolarHBondContact O-N 3.31Å; A257-G260 WeakPolarHBondContact O-CA 3.33Å; A257-G260 PolarHBondContact O-N 2.88Å; A257-L262 HydrophobicContact CB-CD2 4.41Å; A257-V325 HydrophobicContact CB-CG1 4.24Å; A257-I326 HydrophobicContact CB-CD1 4.2Å; A257-V343 HydrophobicContact CB-CG2 3.5Å; A257-V343 VanDerWaalsContact CB-CG2 3.5Å
258G96.8Very high93.6Very high0 Ų018.8 Ų18.80%011%0.109CC..Hα-helixtrans-61.8-40.2178.500000113.4F254 I255 G260 P341F254-G258 PolarHBondContact O-N 3.38Å; I255-G258 PolarHBondContact O-N 2.91Å; G258-G260 PolarHBondContact O-N 3.4Å; G258-P341 WeakPolarHBondContact O-CG 3.41Å
259K96.3Very high94.3Very high37 Ų3717.7 Ų17.716%0.16110%0.103CC..THydrogen-bonded Turntrans-76.8-1173.7-68.3-168.2-174.6-87.50113I255 A257 I261 L334 E335 F338 R339 E451I255-K259 HydrophobicContact CG2-CD 4.47Å; I255-K259 PolarHBondContact O-N 2.94Å; A257-K259 PolarHBondContact O-N 3.31Å; K259-I261 HydrophobicContact CB-CD1 4.1Å; K259-I261 HydrophobicContact CB-CG1 4.01Å; K259-I261 PolarHBondContact O-N 3.14Å; K259-L334 HydrophobicContact CG-CB 4.14Å; K259-L334 HydrophobicContact CG-CD1 3.88Å; K259-E335 PolarHBondContact NZ-O 2.99Å; K259-F338 WeakPolarHBondContact O-CB 3.37Å; K259-F338 PolarHBondContact O-N 3.19Å; K259-R339 PolarHBondContact O-N 3.49Å; K259-E451 IonicContact NZ-OE1 3.64Å; K259-E451 PolarHBondContact NZ-OE1 3.03Å; K259-E451 VanDerWaalsContact NZ-OE1 3.14Å
260G95.8Very high95Very high0 Ų022.7 Ų22.70%012%0.122CC..THydrogen-bonded Turntrans65.122-178.800000113.9A256 A257 G258 R339A256-G260 PolarHBondContact O-N 3.3Å; A257-G260 WeakPolarHBondContact O-CA 3.33Å; A257-G260 PolarHBondContact O-N 2.88Å; G258-G260 PolarHBondContact O-N 3.4Å; G260-R339 WeakPolarHBondContact CA-O 3.33Å; G260-R339 PolarHBondContact O-NE 3.4Å; G260-R339 PolarHBondContact O-NH2 3.1Å
261I96.2Very high95.4Very high25 Ų2522.2 Ų22.213%0.12812%0.119CC..  trans-79.2-50.6175-60.3-179.5000108.5A256 K259 F338 R339 H360 M380 T383 I384 L387A256-I261 PolarHBondContact O-N 3.43Å; K259-I261 HydrophobicContact CB-CD1 4.1Å; K259-I261 HydrophobicContact CB-CG1 4.01Å; K259-I261 PolarHBondContact O-N 3.14Å; I261-F338 HydrophobicContact CG1-CB 4.08Å; I261-R339 PolarHBondContact O-NH2 2.97Å; I261-H360 PolarHBondContact O-CD2 2.97Å; I261-H360 VanDerWaalsContact O-CD2 3.3Å; I261-M380 HydrophobicContact CB-CE 4.47Å; I261-M380 HydrophobicContact CG1-CE 4.13Å; I261-M380 HydrophobicContact CG2-CE 3.88Å; I261-T383 HydrophobicContact CD1-CG2 4.37Å; I261-I384 HydrophobicContact CG2-CD1 3.61Å; I261-L387 HydrophobicContact CG2-CD2 3.94Å
262L96.5Very high95.6Very high2 Ų223.2 Ų23.21%0.0113%0.125CC..  trans-75.6133.5170.4-175.265.4000109.9I253 A256 A257 T264 M265 V343 L387 M391I253-L262 HydrophobicContact CG2-CD2 3.68Å; A256-L262 HydrophobicContact CB-CB 3.97Å; A256-L262 PolarHBondContact O-N 3.33Å; A257-L262 HydrophobicContact CB-CD2 4.41Å; L262-T264 VanDerWaalsContact CD1-O 3.31Å; L262-T264 WeakPolarHBondContact CD1-O 3.35Å; L262-M265 HydrophobicContact CD1-CB 4.44Å; L262-V343 HydrophobicContact CB-CG2 4.16Å; L262-V343 HydrophobicContact CD2-CG1 4.35Å; L262-V343 HydrophobicContact CD2-CG2 4.11Å; L262-V343 HydrophobicContact CG-CG1 4.34Å; L262-V343 HydrophobicContact CG-CG2 3.9Å; L262-V343 WeakPolarHBondContact O-CG2 3.41Å; L262-L387 HydrophobicContact CB-CD2 4.11Å; L262-L387 HydrophobicContact CD1-CD1 4.41Å; L262-L387 HydrophobicContact CD1-CD2 4.03Å; L262-L387 HydrophobicContact CD1-CG 4.42Å; L262-M391 HydrophobicContact CD1-CE 3.96Å; L262-M391 HydrophobicContact CD1-CG 4.29Å; L262-M391 HydrophobicContact CD1-SD 3.51Å; L262-M391 VanDerWaalsContact CD1-SD 3.51Å
263R95.9Very high95.7Very high39 Ų3922.3 Ų22.315%0.14712%0.116CC..  trans-132.1-30.4-176.4-57.1-59.4-64.4-179.1-2113.1R340 N342 V343 N344 H360R263-R340 PolarHBondContact NH1-O 3.18Å; R263-N342 VanDerWaalsContact CZ-O 3.24Å; R263-N342 PolarHBondContact NE-O 3.37Å; R263-N342 PolarHBondContact NH1-O 3.17Å; R263-N342 VanDerWaalsContact NH1-O 3.12Å; R263-V343 CarbonylContact O-C 3.43Å; R263-V343 WeakPolarHBondContact O-CA 3.42Å; R263-N344 PolarHBondContact O-N 3.45Å; R263-H360 WeakPolarHBondContact CB-NE2 3.26Å; R263-H360 PolarHBondContact N-NE2 3.05Å
264T95.8Very high95.7Very high1 Ų121.3 Ų21.31%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-143.4146.1178.7-174.70000109.2L262 N344 N352 W355 I356 H360 M391L262-T264 VanDerWaalsContact CD1-O 3.31Å; L262-T264 WeakPolarHBondContact CD1-O 3.35Å; T264-N344 WeakPolarHBondContact CA-O 3.18Å; T264-N352 WeakPolarHBondContact CG2-OD1 3.2Å; T264-N352 PolarHBondContact OG1-OD1 3.18Å; T264-W355 HydrophobicContact CG2-CB 3.57Å; T264-I356 HydrophobicContact CG2-CG1 3.83Å; T264-H360 PolarHBondContact N-NE2 3.41Å; T264-H360 PolarHBondContact O-CE1 2.93Å; T264-M391 WeakPolarHBondContact O-CE 3.07Å
265M94.6Very high95.7Very high7 Ų721 Ų213%0.03411%0.109CC..EExtended strand (participates in β ladder)trans-149.6148.8172.2-179.8172171.800110.4I253 L262 A267 N344 L345 T346 M391 L394 T398I253-M265 HydrophobicContact CG2-SD 4.3Å; L262-M265 HydrophobicContact CD1-CB 4.44Å; M265-A267 PolarHBondContact O-N 3.09Å; M265-N344 PolarHBondContact N-O 3.46Å; M265-L345 HydrophobicContact CB-CD2 3.84Å; M265-L345 HydrophobicContact CG-CD2 4.43Å; M265-L345 WeakPolarHBondContact O-CA 3.28Å; M265-T346 PolarHBondContact O-N 3.4Å; M265-M391 HydrophobicContact CB-CE 3.98Å; M265-M391 HydrophobicContact CG-CE 4.11Å; M265-M391 HydrophobicContact CG-CG 4.42Å; M265-M391 HydrophobicContact SD-CG 4.33Å; M265-L394 HydrophobicContact CE-CB 3.87Å; M265-T398 HydrophobicContact CE-CG2 3.65Å
266R94.4Very high95.8Very high43 Ų4320.4 Ų20.416%0.16211%0.106CC..EExtended strand (participates in β ladder)trans-73.7114.6171.4-71.4-80.3-67.2165.311.1109.3T346 T347 N352 E395 T398R266-T346 WeakPolarHBondContact CA-O 3.25Å; R266-T347 PolarHBondContact NH1-O 3.1Å; R266-N352 HydrophobicContact CG-CB 4.14Å; R266-N352 VanDerWaalsContact CG-ND2 3.33Å; R266-N352 WeakPolarHBondContact CG-ND2 3.29Å; R266-E395 HydrophobicContact CB-CB 4.37Å; R266-E395 VanDerWaalsContact CB-CD 3.45Å; R266-E395 HydrophobicContact CB-CG 3.68Å; R266-E395 HydrophobicContact CG-CG 4.5Å; R266-E395 IonicContact CZ-OE1 3.66Å; R266-E395 IonicContact NE-OE1 2.77Å; R266-E395 PolarHBondContact NE-OE1 3.25Å; R266-E395 IonicContact NH2-OE1 3.33Å; R266-E395 PolarHBondContact NH2-OE1 2.89Å; R266-T398 PolarHBondContact O-OG1 2.86Å
267A94.3Very high95.9Very high0 Ų019.9 Ų19.90%010%0.102CC..  trans-163.5157175.200000109.1M265 L345 T346 T347 T398M265-A267 PolarHBondContact O-N 3.09Å; A267-L345 HydrophobicContact CB-CB 4.12Å; A267-L345 HydrophobicContact CB-CD1 3.96Å; A267-L345 HydrophobicContact CB-CD2 3.88Å; A267-L345 HydrophobicContact CB-CG 4.18Å; A267-T346 PolarHBondContact N-O 2.94Å; A267-T346 CarbonylContact O-C 3.6Å; A267-T347 WeakPolarHBondContact O-CG2 3.41Å; A267-T347 PolarHBondContact O-N 3.14Å; A267-T398 CarbonylContact C-O 3.57Å; A267-T398 VanDerWaalsContact CA-O 3.25Å; A267-T398 WeakPolarHBondContact CA-O 3.27Å; A267-T398 WeakPolarHBondContact CB-O 3.47Å
268S95.7Very high95.9Very high28 Ų2819.7 Ų19.720%0.19610%0.1CC..  trans-96.2123.5167.7176.20000109.3N270 A271 T398S268-N270 PolarHBondContact O-N 3.18Å; S268-N270 PolarHBondContact OG-N 3.22Å; S268-A271 WeakPolarHBondContact O-CB 3.37Å; S268-A271 PolarHBondContact O-N 3.46Å; S268-A271 PolarHBondContact OG-N 2.67Å; S268-T398 PolarHBondContact N-O 3.23Å
269N94.6Very high96Very high69 Ų6919.9 Ų19.937%0.36910%0.101SC..THydrogen-bonded Turntrans-61-25.4176.3-73.5-15.6000113H317 G319 L345N269-H317 WeakPolarHBondContact O-CB 3.33Å; N269-G319 PolarHBondContact O-N 3.43Å; N269-L345 WeakPolarHBondContact OD1-CB 3.36Å
270N95.6Very high96.1Very high138 Ų13818.1 Ų18.174%0.7389%0.094SC*.THydrogen-bonded Turntrans-95.6-2.8179.6-58.8-15.6000112.3S268 H317S268-N270 PolarHBondContact O-N 3.18Å; S268-N270 PolarHBondContact OG-N 3.22Å; N270-H317 PolarHBondContact O-CD2 3.38Å
271A95.9Very high96.2Very high2 Ų218.1 Ų18.12%0.0179%0.094CC..SBendtrans-75.9138.917300000109.8S268 A273 H317 W318 S401S268-A271 WeakPolarHBondContact O-CB 3.37Å; S268-A271 PolarHBondContact O-N 3.46Å; S268-A271 PolarHBondContact OG-N 2.67Å; A271-A273 PolarHBondContact O-N 3.42Å; A271-H317 WeakPolarHBondContact O-CA 3.19Å; A271-W318 VanDerWaalsContact O-CD1 3.27Å; A271-W318 PolarHBondContact O-N 3.1Å; A271-W318 VanDerWaalsContact O-N 3.1Å; A271-S401 WeakPolarHBondContact CA-OG 3.5Å; A271-S401 WeakPolarHBondContact CB-OG 3.45Å
272V96.5Very high96.3Very high22 Ų2217 Ų1713%0.1339%0.088CC..BIsolated β-bridgetrans-66.1125.8175-178.10000109.4D274 F316 S401V272-D274 PolarHBondContact O-N 3.42Å; V272-F316 CarbonylContact C-O 3.32Å; V272-S401 PolarHBondContact N-OG 3Å
273A95.5Very high96.4Very high0 Ų017.2 Ų17.20%09%0.089CC..  trans-90.286.5170.700000108.7A271 L275 F316 W318 V321A271-A273 PolarHBondContact O-N 3.42Å; A273-L275 PolarHBondContact O-N 3.4Å; A273-F316 WeakPolarHBondContact CA-O 3.22Å; A273-F316 HydrophobicContact CB-CD1 4.49Å; A273-F316 PolarHBondContact N-O 3.37Å; A273-W318 HydrophobicContact CB-CD2 3.52Å; A273-W318 VanDerWaalsContact CB-CE2 3.48Å; A273-W318 HydrophobicContact CB-CE3 3.84Å; A273-W318 HydrophobicContact CB-CG 3.96Å; A273-W318 HydrophobicContact CB-CH2 4.08Å; A273-W318 HydrophobicContact CB-CZ2 3.79Å; A273-W318 HydrophobicContact CB-CZ3 4.1Å; A273-V321 HydrophobicContact CB-CG2 3.65Å
274D94.9Very high96.6Very high0 Ų015.3 Ų15.30%08%0.082CC..  trans-69.970.2179-93.9-67.1000112.2Y155 S230 I231 V272 G311 W404Y155-D274 WeakPolarHBondContact OH-CB 3.35Å; S230-D274 WeakPolarHBondContact CB-O 3.36Å; S230-D274 PolarHBondContact OG-O 3.18Å; I231-D274 WeakPolarHBondContact CB-O 3.49Å; I231-D274 PolarHBondContact N-O 3.21Å; V272-D274 PolarHBondContact O-N 3.42Å; D274-G311 WeakPolarHBondContact OD1-CA 3.32Å; D274-G311 PolarHBondContact OD1-N 2.99Å; D274-W404 PolarHBondContact OD1-NE1 2.88Å; D274-W404 PolarHBondContact OD2-NE1 3.42Å
275L95.9Very high96.7Very high0 Ų015.3 Ų15.30%08%0.082CC..EExtended strand (participates in β ladder)trans-87.2131.8173.6-64.6173.5000109.4I231 P250 A273 T310 F316 V321 W433 M437I231-L275 HydrophobicContact CB-CD2 3.96Å; I231-L275 HydrophobicContact CG2-CD2 3.66Å; I231-L275 CarbonylContact O-C 3.17Å; I231-L275 WeakPolarHBondContact O-CA 3.4Å; P250-L275 HydrophobicContact CB-CD2 4.37Å; P250-L275 HydrophobicContact CG-CD2 4.07Å; A273-L275 PolarHBondContact O-N 3.4Å; L275-T310 WeakPolarHBondContact O-CB 3.48Å; L275-T310 WeakPolarHBondContact O-CG2 3.24Å; L275-T310 PolarHBondContact O-OG1 3.31Å; L275-F316 HydrophobicContact CD1-CD1 4.22Å; L275-F316 HydrophobicContact CD1-CE1 4.26Å; L275-V321 HydrophobicContact CD1-CG2 4.26Å; L275-W433 HydrophobicContact CB-CH2 4.34Å; L275-W433 HydrophobicContact CB-CZ3 4.21Å; L275-W433 WeakPolarHBondContact O-CH2 3.37Å; L275-M437 HydrophobicContact CD1-SD 4.19Å
276V97.5Very high96.9Very high0 Ų015 Ų150%08%0.08CC..EExtended strand (participates in β ladder)trans-125.6129.7174.365.30000109.9P229 S230 I231 V232 G233 V280 V281 T310P229-V276 HydrophobicContact CB-CG1 4.41Å; S230-V276 WeakPolarHBondContact OG-CG1 3.33Å; I231-V276 PolarHBondContact O-N 3.1Å; V232-V276 CarbonylContact C-O 3.53Å; V232-V276 VanDerWaalsContact CA-O 3.29Å; V232-V276 WeakPolarHBondContact CA-O 3.48Å; V232-V276 HydrophobicContact CG2-CG1 4.17Å; G233-V276 PolarHBondContact N-O 3.39Å; V276-V280 HydrophobicContact CG2-CB 4.16Å; V276-V280 HydrophobicContact CG2-CG1 3.85Å; V276-V281 HydrophobicContact CB-CG2 4.29Å; V276-V281 HydrophobicContact CG1-CG2 3.55Å; V276-V281 HydrophobicContact CG2-CG2 3.74Å; V276-T310 HydrophobicContact CB-CG2 4.4Å; V276-T310 HydrophobicContact CG2-CG2 4.44Å
277P98Very high97.1Very high0 Ų013 Ų130%07%0.073CC..EExtended strand (participates in β ladder)trans-63.2143.2176-22.333.1000112.3A234 W236 D279 V280 V281 L431 Y436A234-P277 WeakPolarHBondContact O-CA 3.48Å; W236-P277 HydrophobicContact CB-CB 3.65Å; W236-P277 HydrophobicContact CB-CG 3.74Å; P277-D279 VanDerWaalsContact C-N 3.29Å; P277-D279 WeakPolarHBondContact CB-OD1 3.49Å; P277-D279 PolarHBondContact O-N 3.03Å; P277-V280 HydrophobicContact CB-CB 4.34Å; P277-V280 HydrophobicContact CB-CG2 3.96Å; P277-V280 HydrophobicContact CG-CG2 3.99Å; P277-V280 WeakPolarHBondContact O-CB 3.39Å; P277-V280 PolarHBondContact O-N 3.08Å; P277-V281 PolarHBondContact O-N 2.88Å; P277-L431 HydrophobicContact CG-CD1 4.38Å; P277-L431 HydrophobicContact CG-CD2 4.18Å; P277-Y436 HydrophobicContact CB-CE2 3.97Å; P277-Y436 HydrophobicContact CG-CD2 4.31Å; P277-Y436 HydrophobicContact CG-CE2 3.7Å
278V97.8Very high97.3Very high0 Ų013 Ų130%07%0.073CC..Hα-helixtrans-60-38-177.564.90000113.2F21 M22 V25 V232 G233 V281 I282F21-V278 HydrophobicContact CD1-CG2 4.31Å; F21-V278 HydrophobicContact CE1-CB 3.8Å; F21-V278 HydrophobicContact CE1-CG1 4.34Å; F21-V278 HydrophobicContact CE1-CG2 3.84Å; F21-V278 HydrophobicContact CE2-CG1 4.3Å; F21-V278 HydrophobicContact CZ-CB 3.69Å; F21-V278 HydrophobicContact CZ-CG1 3.71Å; F21-V278 HydrophobicContact CZ-CG2 3.94Å; M22-V278 HydrophobicContact CG-CG2 4.08Å; V25-V278 HydrophobicContact CB-CG2 4.11Å; V25-V278 HydrophobicContact CG1-CG1 4.45Å; V25-V278 HydrophobicContact CG1-CG2 4.33Å; V25-V278 HydrophobicContact CG2-CG1 4.07Å; V25-V278 HydrophobicContact CG2-CG2 3.85Å; V232-V278 HydrophobicContact CG1-CB 3.69Å; V232-V278 HydrophobicContact CG1-CG2 3.98Å; G233-V278 PolarHBondContact O-N 3.18Å; V278-V281 PolarHBondContact O-N 3.17Å; V278-I282 HydrophobicContact CG2-CG1 4.42Å; V278-I282 WeakPolarHBondContact O-CG1 3.18Å; V278-I282 PolarHBondContact O-N 2.94Å
279D98.1Very high97.4Very high4 Ų411.6 Ų11.62%0.0216%0.063CC..Hα-helixtrans-68.6-34178.856.4-35.8000112.8S235 W236 K237 E238 P277 V281 I282 N283S235-D279 WeakPolarHBondContact CA-OD1 3.47Å; W236-D279 PolarHBondContact N-OD1 2.78Å; W236-D279 PolarHBondContact N-OD2 3.4Å; K237-D279 WeakPolarHBondContact CA-OD2 3.31Å; K237-D279 PolarHBondContact N-OD2 3.4Å; E238-D279 HydrophobicContact CB-CB 4.3Å; E238-D279 PolarHBondContact N-OD2 2.92Å; E238-D279 WeakPolarHBondContact O-CB 3.48Å; P277-D279 VanDerWaalsContact C-N 3.29Å; P277-D279 WeakPolarHBondContact CB-OD1 3.49Å; P277-D279 PolarHBondContact O-N 3.03Å; D279-V281 VanDerWaalsContact C-N 3.35Å; D279-I282 PolarHBondContact O-N 3.1Å; D279-N283 VanDerWaalsContact O-CB 3.29Å; D279-N283 WeakPolarHBondContact O-CB 3.44Å; D279-N283 PolarHBondContact O-N 3.43Å; D279-N283 PolarHBondContact O-ND2 3.17Å
280V98.5Very high97.5Very high1 Ų18.4 Ų8.41%0.0065%0.046CC..Hα-helixtrans-60-47.8169.91710000109.9W236 V276 P277 I282 N283 T284 F426 V428W236-V280 HydrophobicContact CE3-CG2 4.06Å; V276-V280 HydrophobicContact CG2-CB 4.16Å; V276-V280 HydrophobicContact CG2-CG1 3.85Å; P277-V280 HydrophobicContact CB-CB 4.34Å; P277-V280 HydrophobicContact CB-CG2 3.96Å; P277-V280 HydrophobicContact CG-CG2 3.99Å; P277-V280 WeakPolarHBondContact O-CB 3.39Å; P277-V280 PolarHBondContact O-N 3.08Å; V280-I282 PolarHBondContact O-N 3.5Å; V280-N283 PolarHBondContact O-N 2.98Å; V280-T284 PolarHBondContact O-N 3.11Å; V280-T284 PolarHBondContact O-OG1 3.14Å; V280-F426 HydrophobicContact CG1-CB 3.85Å; V280-V428 HydrophobicContact CG1-CG1 3.67Å; V280-V428 HydrophobicContact CG2-CG1 4.32Å
281V98.4Very high97.5Very high0 Ų02.7 Ų2.70%01%0.014CC..Hα-helixtrans-62.7-42.8179.6-1770000111.9M22 I227 P229 V232 V276 P277 V278 D279 T284 T285M22-V281 HydrophobicContact CE-CB 4.31Å; M22-V281 HydrophobicContact CE-CG1 3.37Å; I227-V281 HydrophobicContact CG2-CG1 4.35Å; P229-V281 HydrophobicContact CB-CB 4.49Å; P229-V281 HydrophobicContact CB-CG1 3.75Å; P229-V281 HydrophobicContact CB-CG2 3.83Å; P229-V281 HydrophobicContact CG-CG1 4.26Å; V232-V281 HydrophobicContact CG2-CG2 4.31Å; V276-V281 HydrophobicContact CB-CG2 4.29Å; V276-V281 HydrophobicContact CG1-CG2 3.55Å; V276-V281 HydrophobicContact CG2-CG2 3.74Å; P277-V281 PolarHBondContact O-N 2.88Å; V278-V281 PolarHBondContact O-N 3.17Å; D279-V281 VanDerWaalsContact C-N 3.35Å; V281-T284 PolarHBondContact O-N 3.4Å; V281-T285 WeakPolarHBondContact O-CB 3.49Å; V281-T285 PolarHBondContact O-N 3.36Å; V281-T285 PolarHBondContact O-OG1 2.9Å
282I98.6Very high97.4Very high2 Ų22.8 Ų2.81%0.012%0.015CC..Hα-helixtrans-66.5-42.4179.1-67.7-36000111.6M22 V25 L26 K29 V278 D279 V280 T284 T285 L286M22-I282 HydrophobicContact CB-CD1 4.27Å; M22-I282 HydrophobicContact CE-CD1 4.27Å; V25-I282 HydrophobicContact CB-CG1 3.88Å; V25-I282 HydrophobicContact CG1-CB 4.23Å; V25-I282 HydrophobicContact CG1-CG1 3.68Å; V25-I282 HydrophobicContact CG1-CG2 4.47Å; L26-I282 HydrophobicContact CB-CD1 3.84Å; L26-I282 HydrophobicContact CB-CG1 4.36Å; L26-I282 HydrophobicContact CB-CG2 4.31Å; L26-I282 HydrophobicContact CD1-CD1 4.48Å; L26-I282 HydrophobicContact CD1-CG2 3.93Å; K29-I282 HydrophobicContact CB-CG2 3.8Å; K29-I282 HydrophobicContact CG-CG2 3.95Å; V278-I282 HydrophobicContact CG2-CG1 4.42Å; V278-I282 WeakPolarHBondContact O-CG1 3.18Å; V278-I282 PolarHBondContact O-N 2.94Å; D279-I282 PolarHBondContact O-N 3.1Å; V280-I282 PolarHBondContact O-N 3.5Å; I282-T284 PolarHBondContact O-N 3.31Å; I282-T285 WeakPolarHBondContact O-CB 3.43Å; I282-T285 PolarHBondContact O-N 3.18Å; I282-T285 VanDerWaalsContact O-N 3.13Å; I282-L286 HydrophobicContact CG2-CD1 4.19Å; I282-L286 HydrophobicContact CG2-CG 4.5Å; I282-L286 WeakPolarHBondContact O-CG 3.42Å; I282-L286 PolarHBondContact O-N 3.44Å
283N98.7Very high97.3Very high5 Ų51.9 Ų1.93%0.0271%0.01CC..Hα-helixtrans-62.3-44.2176.4-71.6-15.2000111.6K29 D279 V280 T285 L286 A287 F424 N425 F426K29-N283 WeakPolarHBondContact CE-OD1 3.25Å; D279-N283 VanDerWaalsContact O-CB 3.29Å; D279-N283 WeakPolarHBondContact O-CB 3.44Å; D279-N283 PolarHBondContact O-N 3.43Å; D279-N283 PolarHBondContact O-ND2 3.17Å; V280-N283 PolarHBondContact O-N 2.98Å; N283-T285 VanDerWaalsContact C-N 3.28Å; N283-T285 PolarHBondContact O-N 3.45Å; N283-L286 PolarHBondContact O-N 2.99Å; N283-A287 WeakPolarHBondContact O-CB 3.3Å; N283-A287 PolarHBondContact O-N 3.35Å; N283-F424 HydrophobicContact CB-CB 4.22Å; N283-N425 PolarHBondContact ND2-N 3.16Å; N283-N425 PolarHBondContact ND2-O 2.91Å; N283-F426 HydrophobicContact CB-CB 4.21Å; N283-F426 HydrophobicContact CB-CD1 4.05Å
284T98.7Very high97.2Very high0 Ų03.9 Ų3.90%02%0.024CC..Hα-helixtrans-60.2-39.6172.9-53.80000111.6I227 V280 V281 I282 A288 C308 L412 F426I227-T284 HydrophobicContact CD1-CG2 4.18Å; V280-T284 PolarHBondContact O-N 3.11Å; V280-T284 PolarHBondContact O-OG1 3.14Å; V281-T284 PolarHBondContact O-N 3.4Å; I282-T284 PolarHBondContact O-N 3.31Å; T284-A288 VanDerWaalsContact O-CB 3.24Å; T284-A288 WeakPolarHBondContact O-CB 3.49Å; T284-A288 PolarHBondContact O-N 3.43Å; T284-C308 HydrophobicContact CG2-CB 4.48Å; T284-L412 HydrophobicContact CG2-CD2 4.27Å; T284-F426 WeakPolarHBondContact OG1-CB 3.48Å; T284-F426 VanDerWaalsContact OG1-CG 3.25Å; T284-F426 WeakPolarHBondContact OG1-CG 3.47Å
285T98.8Very high96.5Very high1 Ų15.3 Ų5.31%0.0063%0.03CC..Hα-helixtrans-64.8-47.3-179.3-610000111.8L26 F109 L149 V281 I282 N283 A288 A289L26-T285 HydrophobicContact CD1-CG2 4.36Å; F109-T285 HydrophobicContact CD1-CG2 3.68Å; F109-T285 HydrophobicContact CE1-CG2 3.7Å; L149-T285 HydrophobicContact CD1-CG2 3.86Å; L149-T285 VanDerWaalsContact CD1-O 3.24Å; L149-T285 WeakPolarHBondContact CD1-O 3.38Å; L149-T285 HydrophobicContact CD2-CG2 3.7Å; L149-T285 HydrophobicContact CG-CG2 4.42Å; V281-T285 WeakPolarHBondContact O-CB 3.49Å; V281-T285 PolarHBondContact O-N 3.36Å; V281-T285 PolarHBondContact O-OG1 2.9Å; I282-T285 WeakPolarHBondContact O-CB 3.43Å; I282-T285 PolarHBondContact O-N 3.18Å; I282-T285 VanDerWaalsContact O-N 3.13Å; N283-T285 VanDerWaalsContact C-N 3.28Å; N283-T285 PolarHBondContact O-N 3.45Å; T285-A288 PolarHBondContact O-N 3.49Å; T285-A289 PolarHBondContact O-N 2.97Å; T285-A289 VanDerWaalsContact O-N 3.1Å
286L98.8Very high95.3Very high0 Ų010.5 Ų10.50%05%0.05CC..Hα-helixtrans-65.4-44.1176.8-68.4175.4000111.4Y8 L26 K29 L30 F109 I282 N283 A288 A289 W290 F424Y8-L286 HydrophobicContact CE2-CD2 4.4Å; Y8-L286 PolarHBondContact OH-O 3.43Å; L26-L286 HydrophobicContact CD1-CD1 4.44Å; L26-L286 HydrophobicContact CD1-CD2 3.6Å; L26-L286 HydrophobicContact CD1-CG 3.86Å; K29-L286 HydrophobicContact CB-CD1 4.28Å; K29-L286 HydrophobicContact CG-CD1 3.6Å; L30-L286 HydrophobicContact CB-CD2 4.46Å; L30-L286 HydrophobicContact CD1-CD2 3.89Å; F109-L286 HydrophobicContact CE1-CD2 4.44Å; F109-L286 HydrophobicContact CE2-CD2 4.25Å; F109-L286 HydrophobicContact CZ-CD2 3.74Å; I282-L286 HydrophobicContact CG2-CD1 4.19Å; I282-L286 HydrophobicContact CG2-CG 4.5Å; I282-L286 WeakPolarHBondContact O-CG 3.42Å; I282-L286 PolarHBondContact O-N 3.44Å; N283-L286 PolarHBondContact O-N 2.99Å; L286-A288 PolarHBondContact O-N 2.86Å; L286-A289 PolarHBondContact O-N 3.39Å; L286-W290 WeakPolarHBondContact O-CB 3.28Å; L286-W290 PolarHBondContact O-N 3.28Å; L286-F424 HydrophobicContact CB-CD1 4.3Å; L286-F424 HydrophobicContact CB-CE1 4.44Å; L286-F424 HydrophobicContact CD1-CD1 4.03Å; L286-F424 HydrophobicContact CD1-CE1 3.75Å
287A98.4Very high94.1Very high0 Ų019.4 Ų19.40%09%0.091CC..Hα-helixtrans-62.2-4217600000111.9I4 N283 A289 W290 Y291 L412 M416 F426I4-A287 HydrophobicContact CD1-CB 3.94Å; N283-A287 WeakPolarHBondContact O-CB 3.3Å; N283-A287 PolarHBondContact O-N 3.35Å; A287-A289 PolarHBondContact O-N 2.6Å; A287-W290 WeakPolarHBondContact O-CB 3.41Å; A287-W290 PolarHBondContact O-N 2.89Å; A287-Y291 WeakPolarHBondContact O-CB 3.4Å; A287-Y291 PolarHBondContact O-N 3.14Å; A287-L412 HydrophobicContact CB-CD1 4.3Å; A287-L412 HydrophobicContact CB-CD2 3.94Å; A287-L412 HydrophobicContact CB-CG 4.16Å; A287-M416 HydrophobicContact CB-SD 4.1Å; A287-F426 HydrophobicContact CB-CE1 3.6Å; A287-F426 HydrophobicContact CB-CZ 4.19Å
288A97.9Very high93.1Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-65.9-38.9179.400000112.8L149 I227 T284 T285 L286 S292 Y306 L412L149-A288 HydrophobicContact CD1-CB 4.07Å; I227-A288 HydrophobicContact CD1-CB 3.62Å; T284-A288 VanDerWaalsContact O-CB 3.24Å; T284-A288 WeakPolarHBondContact O-CB 3.49Å; T284-A288 PolarHBondContact O-N 3.43Å; T285-A288 PolarHBondContact O-N 3.49Å; L286-A288 PolarHBondContact O-N 2.86Å; A288-S292 VanDerWaalsContact O-CB 3.28Å; A288-S292 WeakPolarHBondContact O-CB 3.47Å; A288-S292 PolarHBondContact O-N 3.44Å; A288-S292 PolarHBondContact O-OG 3Å; A288-Y306 HydrophobicContact CB-CD2 4.01Å; A288-Y306 HydrophobicContact CB-CE2 3.73Å; A288-L412 HydrophobicContact CB-CD2 4.02Å
289A97.8Very high91.8Very high0 Ų029 Ų290%014%0.14CC..Hα-helixtrans-66.9-42.5173.900000111.7Y7 Y8 V107 F109 V147 L149 T285 L286 A287 G293Y7-A289 PolarHBondContact OH-O 3.1Å; Y8-A289 VanDerWaalsContact OH-CB 3.22Å; Y8-A289 WeakPolarHBondContact OH-CB 3.46Å; V107-A289 HydrophobicContact CG1-CB 4.39Å; F109-A289 HydrophobicContact CE1-CB 3.56Å; F109-A289 HydrophobicContact CZ-CB 3.74Å; V147-A289 HydrophobicContact CG1-CB 4Å; L149-A289 HydrophobicContact CD1-CB 3.96Å; T285-A289 PolarHBondContact O-N 2.97Å; T285-A289 VanDerWaalsContact O-N 3.1Å; L286-A289 PolarHBondContact O-N 3.39Å; A287-A289 PolarHBondContact O-N 2.6Å; A289-G293 PolarHBondContact O-N 3.06Å
290W97.4Very high90.5Very high2 Ų231.5 Ų31.51%0.00816%0.156CC..Hα-helixtrans-55-56.8170.6159.779.9000111.9M1 V2 T3 I4 Y7 Y8 L286 A287 S292 G293 S294 L412 Q415 M416M1-W290 HydrophobicContact CB-CH2 4.31Å; M1-W290 HydrophobicContact CB-CZ2 3.63Å; M1-W290 HydrophobicContact CE-CH2 4.22Å; M1-W290 HydrophobicContact CG-CZ2 4.34Å; M1-W290 HydrophobicContact SD-CH2 3.86Å; M1-W290 HydrophobicContact SD-CZ2 3.86Å; V2-W290 WeakPolarHBondContact O-CZ2 3.17Å; V2-W290 PolarHBondContact O-NE1 3.38Å; T3-W290 PolarHBondContact O-NE1 2.93Å; I4-W290 HydrophobicContact CB-CG 4.36Å; I4-W290 HydrophobicContact CD1-CD2 4.48Å; I4-W290 HydrophobicContact CD1-CE3 4.43Å; I4-W290 HydrophobicContact CG1-CB 4.03Å; I4-W290 HydrophobicContact CG1-CD2 3.67Å; I4-W290 HydrophobicContact CG1-CE3 4.08Å; I4-W290 HydrophobicContact CG1-CG 3.63Å; I4-W290 HydrophobicContact CG2-CB 4.41Å; Y7-W290 VanDerWaalsContact CB-CD1 3.43Å; Y7-W290 HydrophobicContact CD1-CB 4.05Å; Y7-W290 HydrophobicContact CE1-CB 4.46Å; Y7-W290 HydrophobicContact CG-CB 4.41Å; Y7-W290 AromaticContact CG-CD1 3.75Å; Y7-W290 HydrophobicContact CG-CG 4.48Å; Y8-W290 HydrophobicContact CE2-CB 4.49Å; L286-W290 WeakPolarHBondContact O-CB 3.28Å; L286-W290 PolarHBondContact O-N 3.28Å; A287-W290 WeakPolarHBondContact O-CB 3.41Å; A287-W290 PolarHBondContact O-N 2.89Å; W290-S292 VanDerWaalsContact C-N 3.32Å; W290-S292 PolarHBondContact O-N 3.49Å; W290-G293 PolarHBondContact O-N 2.98Å; W290-S294 VanDerWaalsContact O-CB 3.26Å; W290-S294 WeakPolarHBondContact O-CB 3.16Å; W290-S294 PolarHBondContact O-N 2.76Å; W290-S294 PolarHBondContact O-OG 3.48Å; W290-L412 HydrophobicContact CZ3-CD1 4.5Å; W290-Q415 HydrophobicContact CH2-CB 4.33Å; W290-Q415 WeakPolarHBondContact CH2-O 3.47Å; W290-Q415 HydrophobicContact CZ3-CB 4.37Å; W290-M416 HydrophobicContact CH2-CG 4.31Å; W290-M416 HydrophobicContact CZ3-CG 3.86Å
291Y95.9Very high89.4Confident18 Ų1842.2 Ų42.27%0.07120%0.203CC..Hα-helixtrans-58.4-46.5-176.6179.8-100000111.7M1 A287 Q295 L304 M411 L412 Q415M1-Y291 HydrophobicContact CE-CD2 4.17Å; M1-Y291 HydrophobicContact CE-CE2 4.04Å; M1-Y291 HydrophobicContact SD-CD2 4.1Å; M1-Y291 HydrophobicContact SD-CE2 4.4Å; A287-Y291 WeakPolarHBondContact O-CB 3.4Å; A287-Y291 PolarHBondContact O-N 3.14Å; Y291-Q295 WeakPolarHBondContact O-CG 3.22Å; Y291-Q295 PolarHBondContact O-N 2.66Å; Y291-Q295 PolarHBondContact OH-OE1 3.19Å; Y291-L304 HydrophobicContact CD1-CD1 4.1Å; Y291-L304 HydrophobicContact CE1-CD1 3.81Å; Y291-M411 HydrophobicContact CD1-CE 4.14Å; Y291-M411 HydrophobicContact CE1-CE 3.5Å; Y291-M411 HydrophobicContact CE1-SD 4.31Å; Y291-M411 HydrophobicContact CE2-CE 4.49Å; Y291-L412 HydrophobicContact CD1-CD1 4.38Å; Y291-L412 HydrophobicContact CD2-CD1 4.26Å; Y291-L412 HydrophobicContact CG-CD1 3.76Å; Y291-Q415 HydrophobicContact CD2-CB 4.07Å; Y291-Q415 HydrophobicContact CD2-CG 4.16Å; Y291-Q415 HydrophobicContact CE2-CB 4Å; Y291-Q415 HydrophobicContact CE2-CG 3.59Å
292S94.3Very high88.8Confident4 Ų446.1 Ų46.13%0.02823%0.23CC..Hα-helixtrans-67-43.3-178.9-52.60000111.2N223 A288 W290N223-S292 VanDerWaalsContact ND2-C 3.32Å; N223-S292 PolarHBondContact ND2-O 3.05Å; A288-S292 VanDerWaalsContact O-CB 3.28Å; A288-S292 WeakPolarHBondContact O-CB 3.47Å; A288-S292 PolarHBondContact O-N 3.44Å; A288-S292 PolarHBondContact O-OG 3Å; W290-S292 VanDerWaalsContact C-N 3.32Å; W290-S292 PolarHBondContact O-N 3.49Å
293G94.1Very high88.6Confident3 Ų347.2 Ų47.23%0.03124%0.236CC..Hα-helixtrans-76.9-30.2-178.100000114.6Y7 A289 W290 Q295 R296Y7-G293 VanDerWaalsContact CE2-C 3.46Å; Y7-G293 WeakPolarHBondContact OH-CA 3.42Å; A289-G293 PolarHBondContact O-N 3.06Å; W290-G293 PolarHBondContact O-N 2.98Å; G293-Q295 VanDerWaalsContact C-N 3.28Å; G293-Q295 PolarHBondContact O-N 3Å; G293-R296 WeakPolarHBondContact O-CG 3.34Å
294S91.9Very high88.4Confident41 Ų4148 Ų4829%0.28724%0.239SC..Hα-helixtrans-73-18.6176.7-71.10000113.3Y7 W290Y7-S294 WeakPolarHBondContact CD2-OG 3.15Å; W290-S294 VanDerWaalsContact O-CB 3.26Å; W290-S294 WeakPolarHBondContact O-CB 3.16Å; W290-S294 PolarHBondContact O-N 2.76Å; W290-S294 PolarHBondContact O-OG 3.48Å
295Q80.7Confident88.4Confident31 Ų3148 Ų4815%0.14524%0.239CC..THydrogen-bonded Turntrans-111.536.1-174.5-62.6-166.85.700114M1 Y291 G293 H297 T298 R299M1-Q295 HydrophobicContact SD-CG 4.08Å; M1-Q295 PolarHBondContact SD-NE2 3.36Å; Y291-Q295 WeakPolarHBondContact O-CG 3.22Å; Y291-Q295 PolarHBondContact O-N 2.66Å; Y291-Q295 PolarHBondContact OH-OE1 3.19Å; G293-Q295 VanDerWaalsContact C-N 3.28Å; G293-Q295 PolarHBondContact O-N 3Å; Q295-H297 PolarHBondContact O-N 2.9Å; Q295-T298 PolarHBondContact O-N 3.47Å; Q295-T298 VanDerWaalsContact O-N 3.1Å; Q295-R299 WeakPolarHBondContact O-CB 3.31Å; Q295-R299 PolarHBondContact O-N 3.17Å
296R71.8Confident88.4Confident109 Ų10947.9 Ų47.941%0.41124%0.239SC..THydrogen-bonded Turntrans-47.4-36.3-175.2-68.1178.3176.6-153.6-0.3114.8E146 G293E146-R296 VanDerWaalsContact CB-NH2 3.3Å; E146-R296 IonicContact OE1-CZ 3.59Å; E146-R296 IonicContact OE1-NE 3.93Å; E146-R296 IonicContact OE1-NH2 3.63Å; E146-R296 PolarHBondContact OE1-NH2 3.3Å; E146-R296 IonicContact OE2-NH2 2.89Å; G293-R296 WeakPolarHBondContact O-CG 3.34Å
297H72.4Confident88.4Confident187 Ų18747.9 Ų47.987%0.86624%0.239SC*.THydrogen-bonded Turntrans-94.8-19.5-174.7-59.6-64.2000114.8Q295Q295-H297 PolarHBondContact O-N 2.9Å
298T75.3Confident88.4Confident111 Ų11148.1 Ų48.168%0.68124%0.241SC*.THydrogen-bonded Turntrans-114.65.9-175.249.50000113.1Q295Q295-T298 PolarHBondContact O-N 3.47Å; Q295-T298 VanDerWaalsContact O-N 3.1Å
299R70.8Confident88.3Confident90 Ų9048.4 Ų48.434%0.3424%0.243SC..  trans-63.5150.5-177.165.6176.8-179.9161.3-0.2113.4N221 L222 N223 Q295N221-R299 PolarHBondContact O-NH2 3.08Å; L222-R299 PolarHBondContact O-NH1 2.98Å; N223-R299 WeakPolarHBondContact OD1-CD 3.21Å; N223-R299 PolarHBondContact OD1-NH1 2.76Å; Q295-R299 WeakPolarHBondContact O-CB 3.31Å; Q295-R299 PolarHBondContact O-N 3.17Å
300P72.1Confident88.3Confident56 Ų5648.4 Ų48.436%0.36424%0.243SC..  trans-57.4145.5164.3-20.532.5000111.1S302 L304P300-S302 PolarHBondContact O-N 3.28Å; P300-L304 HydrophobicContact CG-CD1 4.44Å; P300-L304 HydrophobicContact CG-CD2 4.23Å; P300-L304 HydrophobicContact CG-CG 4.45Å
301K74.4Confident87.9Confident227 Ų22748.9 Ų48.999%0.98725%0.248SC*.SBendtrans-70.1-18.9173.3-69.4-174178.5-179.30112.7
302S85.4Confident87.6Confident82 Ų8250.7 Ų50.757%0.57327%0.272SS*.SBendtrans-91.4147.817854.10000111.8P300 L304P300-S302 PolarHBondContact O-N 3.28Å; S302-L304 PolarHBondContact O-N 2.7Å
303I94.2Very high87.5Confident25 Ų2553.3 Ų53.313%0.12829%0.285CS..PPolyproline II helixtrans-59.6127.9172.2-63.4-177.7000109.8V215 Q216 V224 I226 V305V215-I303 HydrophobicContact CG1-CD1 4.33Å; Q216-I303 HydrophobicContact CB-CD1 3.96Å; Q216-I303 HydrophobicContact CG-CD1 4.23Å; V224-I303 HydrophobicContact CB-CD1 4.09Å; V224-I303 HydrophobicContact CB-CG1 4.15Å; V224-I303 HydrophobicContact CB-CG2 4.45Å; V224-I303 HydrophobicContact CG1-CD1 4.04Å; V224-I303 HydrophobicContact CG1-CG1 4.44Å; V224-I303 HydrophobicContact CG1-CG2 4.11Å; I226-I303 HydrophobicContact CD1-CG2 3.82Å; I226-I303 HydrophobicContact CG1-CG2 3.82Å; I303-V305 HydrophobicContact CG2-CG2 4.43Å
304L96Very high87.6Confident20 Ų2054.6 Ų54.611%0.10529%0.291CS..EExtended strand (participates in β ladder)trans-79.5123.2172-70.9171.8000109.6A225 I226 Y291 P300 S302 Y306A225-L304 WeakPolarHBondContact CA-O 3.33Å; I226-L304 PolarHBondContact N-O 3.21Å; Y291-L304 HydrophobicContact CD1-CD1 4.1Å; Y291-L304 HydrophobicContact CE1-CD1 3.81Å; P300-L304 HydrophobicContact CG-CD1 4.44Å; P300-L304 HydrophobicContact CG-CD2 4.23Å; P300-L304 HydrophobicContact CG-CG 4.45Å; S302-L304 PolarHBondContact O-N 2.7Å; L304-Y306 HydrophobicContact CB-CE2 3.7Å; L304-Y306 WeakPolarHBondContact CD1-OH 3.49Å
305V98.3Very high87.8Confident0 Ų055.9 Ų55.90%030%0.298CS..EExtended strand (participates in β ladder)trans-109.2137.1175.3-1740000108.5E165 V167 I226 R228 I303 N408E165-V305 HydrophobicContact CB-CB 4.26Å; E165-V305 VanDerWaalsContact CB-O 3.28Å; E165-V305 WeakPolarHBondContact CB-O 3.34Å; E165-V305 WeakPolarHBondContact CG-O 3.37Å; V167-V305 HydrophobicContact CG2-CG2 3.98Å; I226-V305 HydrophobicContact CB-CG1 4.29Å; I226-V305 HydrophobicContact CB-CG2 4.25Å; I226-V305 HydrophobicContact CD1-CG2 4.4Å; I226-V305 HydrophobicContact CG2-CG1 4.26Å; I226-V305 CarbonylContact O-C 3.59Å; I226-V305 WeakPolarHBondContact O-CA 3.37Å; R228-V305 HydrophobicContact CG-CG1 4.16Å; I303-V305 HydrophobicContact CG2-CG2 4.43Å; V305-N408 WeakPolarHBondContact O-CB 3.23Å; V305-N408 PolarHBondContact O-ND2 3.27Å
306Y98.3Very high88.5Confident0 Ų054.4 Ų54.40%029%0.291CS..EExtended strand (participates in β ladder)trans-123.4110.9-178.9-58.8-90.4000109.7E165 A225 I226 I227 R228 A288 L304 C308 N408 V409 M411 L412E165-Y306 WeakPolarHBondContact OE1-CA 3.09Å; A225-Y306 HydrophobicContact CB-CE2 4.19Å; I226-Y306 PolarHBondContact O-N 3.28Å; I227-Y306 HydrophobicContact CD1-CD2 3.66Å; I227-Y306 HydrophobicContact CD1-CG 3.87Å; R228-Y306 PolarHBondContact N-O 3.47Å; A288-Y306 HydrophobicContact CB-CD2 4.01Å; A288-Y306 HydrophobicContact CB-CE2 3.73Å; L304-Y306 HydrophobicContact CB-CE2 3.7Å; L304-Y306 WeakPolarHBondContact CD1-OH 3.49Å; Y306-C308 PolarHBondContact O-N 2.99Å; Y306-C308 VanDerWaalsContact O-N 3.14Å; Y306-N408 HydrophobicContact CD1-CB 3.7Å; Y306-N408 HydrophobicContact CE1-CB 3.76Å; Y306-N408 WeakPolarHBondContact CE1-O 3.43Å; Y306-V409 HydrophobicContact CD1-CG2 4.22Å; Y306-M411 HydrophobicContact CE1-CE 4.34Å; Y306-L412 HydrophobicContact CD1-CD2 4.17Å; Y306-L412 HydrophobicContact CE1-CB 3.95Å; Y306-L412 HydrophobicContact CE1-CD2 3.93Å; Y306-L412 HydrophobicContact CE1-CG 4.4Å
307N98.4Very high89.7Confident0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-8091.9173.9-72.1-27.5000109.4I163 E165 R228 T309 W404 N405 T406I163-N307 PolarHBondContact O-ND2 3.45Å; E165-N307 HydrophobicContact CG-CB 4.09Å; E165-N307 WeakPolarHBondContact CG-ND2 3.19Å; E165-N307 PolarHBondContact OE1-N 2.83Å; R228-N307 WeakPolarHBondContact CD-OD1 3.29Å; N307-T309 HydrophobicContact CB-CG2 4.29Å; N307-T309 PolarHBondContact O-N 3.01Å; N307-W404 HydrophobicContact CB-CB 4.45Å; N307-N405 VanDerWaalsContact CB-O 3.27Å; N307-N405 WeakPolarHBondContact CB-O 3.22Å; N307-N405 PolarHBondContact ND2-O 2.82Å; N307-T406 HydrophobicContact CB-CG2 4.39Å
308C98.1Very high90.9Very high5 Ų544.2 Ų44.23%0.03425%0.248CC..EExtended strand (participates in β ladder)trans-80.584.7178.2-1680000110I227 R228 P229 S230 T284 Y306I227-C308 HydrophobicContact CG2-CB 4.32Å; R228-C308 PolarHBondContact O-N 3.09Å; P229-C308 WeakPolarHBondContact CA-O 3.4Å; S230-C308 PolarHBondContact N-O 3.17Å; S230-C308 VanDerWaalsContact N-O 3.1Å; T284-C308 HydrophobicContact CG2-CB 4.48Å; Y306-C308 PolarHBondContact O-N 2.99Å; Y306-C308 VanDerWaalsContact O-N 3.14Å
309T97.5Very high91.9Very high6 Ų640 Ų404%0.03723%0.227CC..  trans-133165.9-172.5680000111A154 N307 W404A154-T309 HydrophobicContact CB-CG2 3.7Å; N307-T309 HydrophobicContact CB-CG2 4.29Å; N307-T309 PolarHBondContact O-N 3.01Å; T309-W404 HydrophobicContact CG2-CB 4.14Å; T309-W404 HydrophobicContact CG2-CD2 3.92Å; T309-W404 HydrophobicContact CG2-CG 3.7Å; T309-W404 WeakPolarHBondContact OG1-CB 3.31Å
310T96.3Very high93.2Very high0 Ų039.5 Ų39.50%023%0.228CC..SBendtrans-114.3-28.7179.750.60000112.8L275 V276 G312 I313 N314 V428 W433L275-T310 WeakPolarHBondContact O-CB 3.48Å; L275-T310 WeakPolarHBondContact O-CG2 3.24Å; L275-T310 PolarHBondContact O-OG1 3.31Å; V276-T310 HydrophobicContact CB-CG2 4.4Å; V276-T310 HydrophobicContact CG2-CG2 4.44Å; T310-G312 VanDerWaalsContact C-N 3.32Å; T310-G312 PolarHBondContact O-N 3.13Å; T310-I313 PolarHBondContact O-N 3.37Å; T310-N314 CarbonylContact O-C 3.56Å; T310-N314 PolarHBondContact O-N 2.63Å; T310-V428 HydrophobicContact CG2-CB 3.97Å; T310-V428 HydrophobicContact CG2-CG1 3.84Å; T310-V428 HydrophobicContact CG2-CG2 4.22Å; T310-W433 HydrophobicContact CG2-CH2 4.12Å; T310-W433 HydrophobicContact CG2-CZ2 4.27Å
311G89.8Confident94.4Very high11 Ų1137.1 Ų37.111%0.11321%0.212CC..THydrogen-bonded Turntrans-61.4-32.5-166.900000115.3D274D274-G311 WeakPolarHBondContact OD1-CA 3.32Å; D274-G311 PolarHBondContact OD1-N 2.99Å
312G88.8Confident95.4Very high56 Ų5628.4 Ų28.458%0.57718%0.175SC*.THydrogen-bonded Turntrans-79.2-18.3176.800000114.5T310T310-G312 VanDerWaalsContact C-N 3.32Å; T310-G312 PolarHBondContact O-N 3.13Å
313I92.7Very high96Very high60 Ų6031.7 Ų31.731%0.30818%0.176SC..THydrogen-bonded Turntrans-115.5-44.2-167.5-60.1172.8000111.7T310 T406 V428 R429T310-I313 PolarHBondContact O-N 3.37Å; I313-T406 HydrophobicContact CD1-CG2 4.25Å; I313-V428 HydrophobicContact CB-CG2 4.09Å; I313-V428 HydrophobicContact CD1-CG2 4.31Å; I313-V428 HydrophobicContact CG2-CG2 3.93Å; I313-R429 HydrophobicContact CG2-CG 3.26Å
314N96.2Very high96.2Very high30 Ų3032.4 Ų32.416%0.1618%0.179CC..SBendtrans-139.673.9-179.7-174.78.7000108.6T310 V428 L431 W433T310-N314 CarbonylContact O-C 3.56Å; T310-N314 PolarHBondContact O-N 2.63Å; N314-V428 PolarHBondContact ND2-O 3.31Å; N314-L431 PolarHBondContact ND2-O 3.08Å; N314-W433 VanDerWaalsContact O-CZ2 3.31Å; N314-W433 WeakPolarHBondContact O-CZ2 3.44Å; N314-W433 PolarHBondContact O-NE1 2.98Å; N314-W433 VanDerWaalsContact O-NE1 3.16Å; N314-W433 PolarHBondContact OD1-NE1 2.94Å; N314-W433 VanDerWaalsContact OD1-NE1 3.12Å
315P95.6Very high96.2Very high67 Ų6731.6 Ų31.644%0.43518%0.175SC..  trans-62.5143.5-171.224.4-33.9000112.5
316F96.7Very high96.2Very high0 Ų032.1 Ų32.10%018%0.178CC..  trans-138.9134.1175-171.9-135.7000108.7V272 A273 L275 E320 V321 H324 W433 M437V272-F316 CarbonylContact C-O 3.32Å; A273-F316 WeakPolarHBondContact CA-O 3.22Å; A273-F316 HydrophobicContact CB-CD1 4.49Å; A273-F316 PolarHBondContact N-O 3.37Å; L275-F316 HydrophobicContact CD1-CD1 4.22Å; L275-F316 HydrophobicContact CD1-CE1 4.26Å; F316-E320 HydrophobicContact CD2-CB 3.79Å; F316-E320 HydrophobicContact CE2-CB 3.33Å; F316-E320 HydrophobicContact CE2-CG 4.43Å; F316-E320 HydrophobicContact CZ-CB 4.04Å; F316-V321 HydrophobicContact CD1-CG2 3.62Å; F316-V321 HydrophobicContact CE1-CB 4.12Å; F316-V321 HydrophobicContact CE1-CG2 3.21Å; F316-V321 HydrophobicContact CZ-CB 4.39Å; F316-V321 HydrophobicContact CZ-CG2 3.86Å; F316-H324 AromaticContact CE2-CD2 3.96Å; F316-H324 AromaticContact CZ-CD2 3.99Å; F316-W433 HydrophobicContact CB-CD2 3.72Å; F316-W433 VanDerWaalsContact CB-CE2 3.48Å; F316-W433 HydrophobicContact CB-CE3 4.19Å; F316-W433 HydrophobicContact CB-CG 4.12Å; F316-W433 HydrophobicContact CB-CH2 4.23Å; F316-W433 HydrophobicContact CB-CZ2 3.76Å; F316-W433 HydrophobicContact CB-CZ3 4.43Å; F316-W433 AromaticContact CD1-CD2 3.9Å; F316-W433 HydrophobicContact CD1-CD2 3.9Å; F316-W433 AromaticContact CD1-CE3 3.61Å; F316-W433 HydrophobicContact CD1-CE3 3.61Å; F316-W433 HydrophobicContact CD1-CG 4.43Å; F316-W433 HydrophobicContact CD1-CH2 4.48Å; F316-W433 AromaticContact CD1-CZ3 3.94Å; F316-W433 HydrophobicContact CD1-CZ3 3.94Å; F316-W433 HydrophobicContact CD2-CB 3.8Å; F316-W433 AromaticContact CD2-CD1 3.97Å; F316-W433 AromaticContact CD2-CD2 3.93Å; F316-W433 HydrophobicContact CD2-CD2 3.93Å; F316-W433 HydrophobicContact CD2-CE3 4.4Å; F316-W433 AromaticContact CD2-CG 3.62Å; F316-W433 HydrophobicContact CD2-CG 3.62Å; F316-W433 HydrophobicContact CE1-CD2 4.46Å; F316-W433 AromaticContact CE1-CE3 3.99Å; F316-W433 HydrophobicContact CE1-CE3 3.99Å; F316-W433 HydrophobicContact CE2-CB 3.74Å; F316-W433 HydrophobicContact CE2-CG 4.08Å; F316-W433 HydrophobicContact CG-CB 4.38Å; F316-W433 AromaticContact CG-CD2 3.61Å; F316-W433 HydrophobicContact CG-CD2 3.61Å; F316-W433 AromaticContact CG-CE2 3.95Å; F316-W433 AromaticContact CG-CE3 3.85Å; F316-W433 HydrophobicContact CG-CE3 3.85Å; F316-W433 AromaticContact CG-CG 3.84Å; F316-W433 HydrophobicContact CG-CG 3.84Å; F316-W433 HydrophobicContact CG-CZ2 4.46Å; F316-W433 HydrophobicContact CG-CZ3 4.37Å; F316-W433 HydrophobicContact CZ-CB 4.27Å; F316-M437 HydrophobicContact CE1-CG 3.75Å; F316-M437 HydrophobicContact CE1-SD 3.83Å; F316-M437 HydrophobicContact CZ-CG 3.66Å; F316-M437 HydrophobicContact CZ-SD 4.34Å
317H97.4Very high96.1Very high60 Ų6033.7 Ų33.728%0.27819%0.188SC..BIsolated β-bridgetrans-107.4154-172.7-56.181.3000112.5N269 N270 A271 G319 E320 V321N269-H317 WeakPolarHBondContact O-CB 3.33Å; N270-H317 PolarHBondContact O-CD2 3.38Å; A271-H317 WeakPolarHBondContact O-CA 3.19Å; H317-G319 PolarHBondContact O-N 2.99Å; H317-G319 VanDerWaalsContact O-N 3.17Å; H317-E320 HydrophobicContact CB-CG 4.34Å; H317-E320 WeakPolarHBondContact CB-OE2 3.29Å; H317-E320 IonicContact CG-OE2 3.76Å; H317-E320 PolarHBondContact N-OE2 2.81Å; H317-E320 IonicContact ND1-OE2 3.16Å; H317-E320 PolarHBondContact ND1-OE2 3.22Å; H317-E320 WeakPolarHBondContact O-CA 3.45Å; H317-E320 WeakPolarHBondContact O-CB 3.4Å; H317-E320 PolarHBondContact O-N 2.74Å; H317-V321 WeakPolarHBondContact O-CG2 3.46Å; H317-V321 PolarHBondContact O-N 3.09Å
318W96.6Very high96.1Very high22 Ų2233.7 Ų33.78%0.08319%0.189CC..Hα-helixtrans-60.5-28.7-179.7-71.5109.4000113.8I231 A271 A273 E320 V321 E322 L345 T398I231-W318 HydrophobicContact CD1-CH2 4.2Å; I231-W318 HydrophobicContact CD1-CZ2 4.02Å; A271-W318 VanDerWaalsContact O-CD1 3.27Å; A271-W318 PolarHBondContact O-N 3.1Å; A271-W318 VanDerWaalsContact O-N 3.1Å; A273-W318 HydrophobicContact CB-CD2 3.52Å; A273-W318 VanDerWaalsContact CB-CE2 3.48Å; A273-W318 HydrophobicContact CB-CE3 3.84Å; A273-W318 HydrophobicContact CB-CG 3.96Å; A273-W318 HydrophobicContact CB-CH2 4.08Å; A273-W318 HydrophobicContact CB-CZ2 3.79Å; A273-W318 HydrophobicContact CB-CZ3 4.1Å; W318-E320 VanDerWaalsContact C-N 3.32Å; W318-V321 HydrophobicContact CE3-CB 4.06Å; W318-V321 HydrophobicContact CE3-CG1 4.09Å; W318-V321 HydrophobicContact CE3-CG2 3.87Å; W318-V321 HydrophobicContact CZ3-CG1 4.16Å; W318-V321 HydrophobicContact CZ3-CG2 4.23Å; W318-V321 WeakPolarHBondContact O-CB 3.14Å; W318-V321 PolarHBondContact O-N 3.02Å; W318-E322 PolarHBondContact O-N 3.26Å; W318-L345 HydrophobicContact CB-CD1 3.84Å; W318-L345 VanDerWaalsContact O-CD1 3.3Å; W318-L345 WeakPolarHBondContact O-CD1 3.34Å; W318-T398 HydrophobicContact CD2-CG2 4.27Å; W318-T398 HydrophobicContact CH2-CG2 4.21Å; W318-T398 HydrophobicContact CZ2-CG2 3.86Å
319G96.6Very high96Very high23 Ų2333.5 Ų33.524%0.23719%0.187CC..Hα-helixtrans-64.7-36.317200000112.9N269 H317 E322 Y323N269-G319 PolarHBondContact O-N 3.43Å; H317-G319 PolarHBondContact O-N 2.99Å; H317-G319 VanDerWaalsContact O-N 3.17Å; G319-E322 PolarHBondContact O-N 3.25Å; G319-Y323 PolarHBondContact O-N 3.02Å; G319-Y323 VanDerWaalsContact O-N 3.08Å
320E97.4Very high95.9Very high80 Ų8037.5 Ų37.537%0.37420%0.204SC..Hα-helixtrans-73.2-40176.1-56.1175.690.600110.9F316 H317 W318 E322 Y323 H324F316-E320 HydrophobicContact CD2-CB 3.79Å; F316-E320 HydrophobicContact CE2-CB 3.33Å; F316-E320 HydrophobicContact CE2-CG 4.43Å; F316-E320 HydrophobicContact CZ-CB 4.04Å; H317-E320 HydrophobicContact CB-CG 4.34Å; H317-E320 WeakPolarHBondContact CB-OE2 3.29Å; H317-E320 IonicContact CG-OE2 3.76Å; H317-E320 PolarHBondContact N-OE2 2.81Å; H317-E320 IonicContact ND1-OE2 3.16Å; H317-E320 PolarHBondContact ND1-OE2 3.22Å; H317-E320 WeakPolarHBondContact O-CA 3.45Å; H317-E320 WeakPolarHBondContact O-CB 3.4Å; H317-E320 PolarHBondContact O-N 2.74Å; W318-E320 VanDerWaalsContact C-N 3.32Å; E320-E322 VanDerWaalsContact C-N 3.33Å; E320-E322 PolarHBondContact O-N 3Å; E320-Y323 PolarHBondContact O-N 3.22Å; E320-H324 PolarHBondContact O-CD2 3.36Å; E320-H324 PolarHBondContact O-N 3.35Å
321V97.1Very high95.8Very high5 Ų543.1 Ų43.13%0.0323%0.225CC..Hα-helixtrans-54.7-50.1170.7179.20000110.1F254 A273 L275 F316 H317 W318 Y323 H324 V325 M437F254-V321 HydrophobicContact CE1-CG1 3.58Å; F254-V321 HydrophobicContact CZ-CG1 3.73Å; A273-V321 HydrophobicContact CB-CG2 3.65Å; L275-V321 HydrophobicContact CD1-CG2 4.26Å; F316-V321 HydrophobicContact CD1-CG2 3.62Å; F316-V321 HydrophobicContact CE1-CB 4.12Å; F316-V321 HydrophobicContact CE1-CG2 3.21Å; F316-V321 HydrophobicContact CZ-CB 4.39Å; F316-V321 HydrophobicContact CZ-CG2 3.86Å; H317-V321 WeakPolarHBondContact O-CG2 3.46Å; H317-V321 PolarHBondContact O-N 3.09Å; W318-V321 HydrophobicContact CE3-CB 4.06Å; W318-V321 HydrophobicContact CE3-CG1 4.09Å; W318-V321 HydrophobicContact CE3-CG2 3.87Å; W318-V321 HydrophobicContact CZ3-CG1 4.16Å; W318-V321 HydrophobicContact CZ3-CG2 4.23Å; W318-V321 WeakPolarHBondContact O-CB 3.14Å; W318-V321 PolarHBondContact O-N 3.02Å; V321-Y323 VanDerWaalsContact C-N 3.34Å; V321-Y323 PolarHBondContact O-N 3.25Å; V321-H324 PolarHBondContact O-N 3.43Å; V321-V325 HydrophobicContact CG1-CG2 4.12Å; V321-V325 WeakPolarHBondContact O-CB 3.39Å; V321-V325 WeakPolarHBondContact O-CG2 3.38Å; V321-V325 PolarHBondContact O-N 3.29Å; V321-M437 HydrophobicContact CG1-CE 4.15Å
322E96.4Very high96.1Very high45 Ų4543.6 Ų43.621%0.2123%0.225CC..Hα-helixtrans-55.7-50.6177.8-172.1-162.6126.100110.6W318 G319 E320 I326 L345W318-E322 PolarHBondContact O-N 3.26Å; G319-E322 PolarHBondContact O-N 3.25Å; E320-E322 VanDerWaalsContact C-N 3.33Å; E320-E322 PolarHBondContact O-N 3Å; E322-I326 HydrophobicContact CG-CG1 4.33Å; E322-I326 VanDerWaalsContact O-CB 3.31Å; E322-I326 WeakPolarHBondContact O-CB 3.19Å; E322-I326 WeakPolarHBondContact O-CG1 3.22Å; E322-I326 PolarHBondContact O-N 2.98Å; E322-L345 HydrophobicContact CB-CD1 4.05Å; E322-L345 HydrophobicContact CB-CG 4.31Å; E322-L345 HydrophobicContact CG-CG 4.38Å; E322-L345 WeakPolarHBondContact OE2-CB 3.5Å; E322-L345 VanDerWaalsContact OE2-CG 3.25Å; E322-L345 WeakPolarHBondContact OE2-CG 3.32Å; E322-L345 PolarHBondContact OE2-N 3.05Å
323Y97.5Very high96.5Very high151 Ų15141 Ų4159%0.59220%0.198SC*.Hα-helixtrans-57.3-53-179.7175.3-95.9000112.1G319 E320 V321 I326 S327G319-Y323 PolarHBondContact O-N 3.02Å; G319-Y323 VanDerWaalsContact O-N 3.08Å; E320-Y323 PolarHBondContact O-N 3.22Å; V321-Y323 VanDerWaalsContact C-N 3.34Å; V321-Y323 PolarHBondContact O-N 3.25Å; Y323-I326 PolarHBondContact O-N 3.44Å; Y323-S327 WeakPolarHBondContact O-CB 3.32Å; Y323-S327 PolarHBondContact O-N 3Å
324H97.9Very high96.7Very high39 Ų3938.1 Ų38.118%0.18118%0.183CC..Hα-helixtrans-66.2-43.7-176.4-75.8-67.6000112.2F316 E320 V321 S327 T328 A434 M437F316-H324 AromaticContact CE2-CD2 3.96Å; F316-H324 AromaticContact CZ-CD2 3.99Å; E320-H324 PolarHBondContact O-CD2 3.36Å; E320-H324 PolarHBondContact O-N 3.35Å; V321-H324 PolarHBondContact O-N 3.43Å; H324-S327 PolarHBondContact O-N 2.91Å; H324-T328 WeakPolarHBondContact O-CB 3.35Å; H324-T328 PolarHBondContact O-N 2.83Å; H324-T328 PolarHBondContact O-OG1 3.45Å; H324-A434 VanDerWaalsContact CE1-CB 3.41Å; H324-A434 WeakPolarHBondContact CE1-CB 3.4Å; H324-M437 HydrophobicContact CB-CB 3.77Å; H324-M437 HydrophobicContact CB-CG 4.22Å
325V97.4Very high96.6Very high4 Ų439.5 Ų39.52%0.02419%0.189CC..Hα-helixtrans-61.9-48.2178.4170.90000110.9F254 A257 V321 F329 M437F254-V325 HydrophobicContact CB-CG1 4.2Å; F254-V325 HydrophobicContact CD1-CG1 4.23Å; F254-V325 HydrophobicContact CD1-CG2 3.71Å; F254-V325 HydrophobicContact CD2-CG2 4.26Å; F254-V325 HydrophobicContact CE1-CG2 3.85Å; F254-V325 HydrophobicContact CE2-CG2 4.36Å; F254-V325 HydrophobicContact CG-CG1 4.33Å; F254-V325 HydrophobicContact CG-CG2 3.94Å; F254-V325 HydrophobicContact CZ-CG2 4.17Å; A257-V325 HydrophobicContact CB-CG1 4.24Å; V321-V325 HydrophobicContact CG1-CG2 4.12Å; V321-V325 WeakPolarHBondContact O-CB 3.39Å; V321-V325 WeakPolarHBondContact O-CG2 3.38Å; V321-V325 PolarHBondContact O-N 3.29Å; V325-F329 HydrophobicContact CG1-CD2 3.8Å; V325-F329 HydrophobicContact CG1-CE2 3.82Å; V325-F329 WeakPolarHBondContact O-CD2 3.48Å; V325-F329 PolarHBondContact O-N 3.04Å; V325-M437 HydrophobicContact CG2-CE 3.53Å
326I97.4Very high96.4Very high11 Ų1144.2 Ų44.26%0.05621%0.205CC..Hα-helixtrans-69.6-39.3-178.3-64.6-57.6000111.5A257 E322 Y323 K330 P341 V343A257-I326 HydrophobicContact CB-CD1 4.2Å; E322-I326 HydrophobicContact CG-CG1 4.33Å; E322-I326 VanDerWaalsContact O-CB 3.31Å; E322-I326 WeakPolarHBondContact O-CB 3.19Å; E322-I326 WeakPolarHBondContact O-CG1 3.22Å; E322-I326 PolarHBondContact O-N 2.98Å; Y323-I326 PolarHBondContact O-N 3.44Å; I326-K330 HydrophobicContact CG2-CD 3.97Å; I326-K330 VanDerWaalsContact CG2-CE 3.44Å; I326-K330 HydrophobicContact CG2-CG 4.49Å; I326-K330 WeakPolarHBondContact O-CB 3.34Å; I326-K330 VanDerWaalsContact O-CG 3.24Å; I326-K330 WeakPolarHBondContact O-CG 3.39Å; I326-K330 PolarHBondContact O-N 2.64Å; I326-P341 HydrophobicContact CD1-CB 4.12Å; I326-V343 HydrophobicContact CD1-CB 4.13Å; I326-V343 HydrophobicContact CD1-CG2 4.01Å
327S97.1Very high96.3Very high32 Ų3244.3 Ų44.322%0.22421%0.206CC..Hα-helixtrans-61.9-49175.9-172.80000111.1Y323 H324 F329 K330 R331Y323-S327 WeakPolarHBondContact O-CB 3.32Å; Y323-S327 PolarHBondContact O-N 3Å; H324-S327 PolarHBondContact O-N 2.91Å; S327-F329 PolarHBondContact O-N 2.83Å; S327-K330 PolarHBondContact O-N 2.87Å; S327-R331 WeakPolarHBondContact O-CG 3.3Å; S327-R331 PolarHBondContact O-N 3.39Å; S327-R331 VanDerWaalsContact O-N 3.14Å
328T97Very high96.1Very high1 Ų144.1 Ų44.11%0.00620%0.204CC..Hα-helixtrans-60.4-49.6179.4-630000111.7H324 K330 R331 N332 E438 C441 M442H324-T328 WeakPolarHBondContact O-CB 3.35Å; H324-T328 PolarHBondContact O-N 2.83Å; H324-T328 PolarHBondContact O-OG1 3.45Å; T328-K330 VanDerWaalsContact C-N 3.27Å; T328-K330 PolarHBondContact O-N 3.31Å; T328-R331 PolarHBondContact O-N 3.36Å; T328-R331 VanDerWaalsContact O-N 3.08Å; T328-N332 PolarHBondContact O-N 3.49Å; T328-E438 HydrophobicContact CG2-CG 4.2Å; T328-C441 HydrophobicContact CG2-CB 3.58Å; T328-M442 HydrophobicContact CG2-SD 4.44Å
329F97.2Very high96Very high0 Ų045.6 Ų45.60%021%0.21CC..Hα-helixtrans-72.6-14.7179.3-69.1-49.1000114.7F254 V325 S327 P333 L334 P341 C441F254-F329 HydrophobicContact CB-CE2 4.3Å; F254-F329 VanDerWaalsContact O-CE2 3.22Å; F254-F329 WeakPolarHBondContact O-CE2 3.12Å; V325-F329 HydrophobicContact CG1-CD2 3.8Å; V325-F329 HydrophobicContact CG1-CE2 3.82Å; V325-F329 WeakPolarHBondContact O-CD2 3.48Å; V325-F329 PolarHBondContact O-N 3.04Å; S327-F329 PolarHBondContact O-N 2.83Å; F329-P333 WeakPolarHBondContact O-CA 3.35Å; F329-L334 HydrophobicContact CD1-CD1 4.3Å; F329-L334 HydrophobicContact CD1-CD2 3.99Å; F329-L334 HydrophobicContact CD1-CG 3.76Å; F329-L334 HydrophobicContact CE1-CD1 3.99Å; F329-L334 HydrophobicContact CE1-CD2 3.55Å; F329-L334 HydrophobicContact CE1-CG 3.69Å; F329-L334 HydrophobicContact CZ-CD1 4.16Å; F329-L334 HydrophobicContact CZ-CD2 4.35Å; F329-L334 HydrophobicContact CZ-CG 4.36Å; F329-P341 HydrophobicContact CB-CB 4.16Å; F329-P341 HydrophobicContact CB-CG 3.83Å; F329-C441 HydrophobicContact CE1-CB 3.89Å; F329-C441 HydrophobicContact CE2-CB 4.19Å; F329-C441 HydrophobicContact CZ-CB 3.69Å
330K95.4Very high95.9Very high90 Ų9047.8 Ų47.839%0.39121%0.211SC..Hα-helixtrans-75-35.3167.6-79.1171.6-179.21680111.8I326 S327 T328 P341I326-K330 HydrophobicContact CG2-CD 3.97Å; I326-K330 VanDerWaalsContact CG2-CE 3.44Å; I326-K330 HydrophobicContact CG2-CG 4.49Å; I326-K330 WeakPolarHBondContact O-CB 3.34Å; I326-K330 VanDerWaalsContact O-CG 3.24Å; I326-K330 WeakPolarHBondContact O-CG 3.39Å; I326-K330 PolarHBondContact O-N 2.64Å; S327-K330 PolarHBondContact O-N 2.87Å; T328-K330 VanDerWaalsContact C-N 3.27Å; T328-K330 PolarHBondContact O-N 3.31Å; K330-P341 VanDerWaalsContact CE-O 3.22Å; K330-P341 WeakPolarHBondContact CE-O 3.46Å; K330-P341 HydrophobicContact CG-CG 4.38Å
331R94.7Very high95.8Very high118 Ų11844 Ų4445%0.44519%0.193SC..Hα-helixtrans-80.2-44.1177.6-63.6-178.8-60.4179.410.2112S327 T328 P333 E438 R460S327-R331 WeakPolarHBondContact O-CG 3.3Å; S327-R331 PolarHBondContact O-N 3.39Å; S327-R331 VanDerWaalsContact O-N 3.14Å; T328-R331 PolarHBondContact O-N 3.36Å; T328-R331 VanDerWaalsContact O-N 3.08Å; R331-P333 VanDerWaalsContact O-CD 3.3Å; R331-P333 WeakPolarHBondContact O-CD 3.33Å; R331-E438 IonicContact CZ-OE2 3.78Å; R331-E438 VanDerWaalsContact NH2-CD 3.29Å; R331-E438 IonicContact NH2-OE1 3.39Å; R331-E438 PolarHBondContact NH2-OE1 2.91Å; R331-E438 IonicContact NH2-OE2 2.72Å; R331-E438 PolarHBondContact NH2-OE2 3.09Å; R331-R460 PolarHBondContact O-NE 2.88Å; R331-R460 PolarHBondContact O-NH2 3.45Å; R331-R460 VanDerWaalsContact O-NH2 3.15Å
332N95.3Very high95.7Very high22 Ų2246.9 Ų46.912%0.11821%0.209CC..SBendtrans-12274.5-176-57.8-39.5000109.5T328 M442 L456 R460T328-N332 PolarHBondContact O-N 3.49Å; N332-M442 HydrophobicContact CB-CE 4.12Å; N332-M442 HydrophobicContact CB-SD 3.44Å; N332-M442 WeakPolarHBondContact CB-SD 3.42Å; N332-L456 HydrophobicContact CB-CD2 4.32Å; N332-R460 PolarHBondContact OD1-NH2 3.34Å
333P96.3Very high95.6Very high1 Ų145.1 Ų45.11%0.00620%0.201CC..PPolyproline II helixtrans-68.2147.3-172.725.6-32.9000113.4F329 R331 K445 A459 R460 L463F329-P333 WeakPolarHBondContact O-CA 3.35Å; R331-P333 VanDerWaalsContact O-CD 3.3Å; R331-P333 WeakPolarHBondContact O-CD 3.33Å; P333-K445 PolarHBondContact O-NZ 2.82Å; P333-K445 VanDerWaalsContact O-NZ 3.17Å; P333-A459 HydrophobicContact CB-CB 4.29Å; P333-A459 HydrophobicContact CG-CB 3.87Å; P333-R460 HydrophobicContact CG-CB 4.38Å; P333-R460 HydrophobicContact CG-CG 3.69Å; P333-L463 HydrophobicContact CB-CD1 4.11Å; P333-L463 HydrophobicContact CB-CD2 4.19Å
334L96.6Very high95.4Very high0 Ų041.6 Ų41.60%019%0.192CC..PPolyproline II helixtrans-69.9146.8166.4-60.2-178.7000110.4I255 K259 F329 K445 L449 E451I255-L334 HydrophobicContact CG2-CD1 4.33Å; K259-L334 HydrophobicContact CG-CB 4.14Å; K259-L334 HydrophobicContact CG-CD1 3.88Å; F329-L334 HydrophobicContact CD1-CD1 4.3Å; F329-L334 HydrophobicContact CD1-CD2 3.99Å; F329-L334 HydrophobicContact CD1-CG 3.76Å; F329-L334 HydrophobicContact CE1-CD1 3.99Å; F329-L334 HydrophobicContact CE1-CD2 3.55Å; F329-L334 HydrophobicContact CE1-CG 3.69Å; F329-L334 HydrophobicContact CZ-CD1 4.16Å; F329-L334 HydrophobicContact CZ-CD2 4.35Å; F329-L334 HydrophobicContact CZ-CG 4.36Å; L334-K445 HydrophobicContact CD2-CB 3.68Å; L334-K445 HydrophobicContact CD2-CD 4.32Å; L334-K445 HydrophobicContact CD2-CG 3.84Å; L334-L449 HydrophobicContact CD1-CD1 3.8Å; L334-L449 HydrophobicContact CD2-CD1 3.72Å; L334-L449 HydrophobicContact CG-CD1 4.24Å; L334-E451 WeakPolarHBondContact CA-OE2 3.47Å
335E95.3Very high95.3Very high59 Ų5940.7 Ų40.728%0.27619%0.189SC..THydrogen-bonded Turntrans-66.1149.8176.2-65.7-179.1-153.500111K259 A337 E451 A459K259-E335 PolarHBondContact NZ-O 2.99Å; E335-A337 PolarHBondContact O-N 3.42Å; E335-E451 HydrophobicContact CB-CG 4.19Å; E335-E451 HydrophobicContact CG-CB 4.46Å; E335-E451 HydrophobicContact CG-CG 4.09Å; E335-E451 VanDerWaalsContact N-CD 3.32Å; E335-E451 PolarHBondContact N-OE1 3.29Å; E335-E451 PolarHBondContact N-OE2 3.26Å; E335-A459 HydrophobicContact CG-CB 4.26Å
336Q91.3Very high95.1Very high166 Ų16641.3 Ų41.378%0.77619%0.192SC*.THydrogen-bonded Turntrans50.834.4176.5-53.1-177.46.700114F338Q336-F338 PolarHBondContact O-N 2.92Å
337A94.6Very high95Very high2 Ų245.3 Ų45.32%0.01722%0.218CC..  trans-53.2132.4175.900000110.6E335 H462 L463 L466E335-A337 PolarHBondContact O-N 3.42Å; A337-H462 PolarHBondContact O-NE2 3.3Å; A337-L463 HydrophobicContact CB-CD1 4.2Å; A337-L466 WeakPolarHBondContact O-CD1 3.27Å
338F93.7Very high94.8Very high56 Ų5647 Ų4725%0.24622%0.224CC..SBendtrans-67.9-40.7178.4-179.9-110.2000110.8K259 I261 Q336 Y367 M380K259-F338 WeakPolarHBondContact O-CB 3.37Å; K259-F338 PolarHBondContact O-N 3.19Å; I261-F338 HydrophobicContact CG1-CB 4.08Å; Q336-F338 PolarHBondContact O-N 2.92Å; F338-Y367 HydrophobicContact CE2-CD2 4.01Å; F338-Y367 HydrophobicContact CE2-CE2 4.4Å; F338-Y367 HydrophobicContact CE2-CG 4.19Å; F338-M380 HydrophobicContact CD1-CE 3.81Å; F338-M380 HydrophobicContact CD2-CE 4.29Å; F338-M380 HydrophobicContact CE1-CE 3.85Å; F338-M380 HydrophobicContact CE2-CE 4.32Å; F338-M380 HydrophobicContact CG-CE 4.04Å; F338-M380 HydrophobicContact CZ-CE 4.11Å
339R94Very high94.6Very high52 Ų5251.3 Ų51.320%0.19624%0.244CC..SBendtrans-142.9167.3174.5-69.5177-68.4-163.8-7.6109.7K259 G260 I261 S359K259-R339 PolarHBondContact O-N 3.49Å; G260-R339 WeakPolarHBondContact CA-O 3.33Å; G260-R339 PolarHBondContact O-NE 3.4Å; G260-R339 PolarHBondContact O-NH2 3.1Å; I261-R339 PolarHBondContact O-NH2 2.97Å; R339-S359 VanDerWaalsContact CZ-O 3.25Å; R339-S359 PolarHBondContact NH1-O 3.37Å; R339-S359 PolarHBondContact NH2-O 2.45Å
340R94.3Very high94.5Very high69 Ų6957.7 Ų57.726%0.2628%0.278SS..  trans-60.3135.3171.6-59.1-164.378.6-154.21.8110.4R263 N342 L463 L466R263-R340 PolarHBondContact NH1-O 3.18Å; R340-N342 PolarHBondContact O-N 3.45Å; R340-L463 HydrophobicContact CG-CD1 4.42Å; R340-L463 HydrophobicContact CG-CG 4.11Å; R340-L466 HydrophobicContact CG-CB 4.05Å
341P95.9Very high94.4Very high1 Ų157 Ų571%0.00628%0.277CS..  trans-52.2122.4176.5-11.89.8000110.8G258 I326 F329 K330G258-P341 WeakPolarHBondContact O-CG 3.41Å; I326-P341 HydrophobicContact CD1-CB 4.12Å; F329-P341 HydrophobicContact CB-CB 4.16Å; F329-P341 HydrophobicContact CB-CG 3.83Å; K330-P341 VanDerWaalsContact CE-O 3.22Å; K330-P341 WeakPolarHBondContact CE-O 3.46Å; K330-P341 HydrophobicContact CG-CG 4.38Å
342N94.4Very high94.4Very high65 Ų6551.7 Ų51.735%0.34826%0.258SS..  trans-167.9115.1172-162.859.3000107.4R263 R340R263-N342 VanDerWaalsContact CZ-O 3.24Å; R263-N342 PolarHBondContact NE-O 3.37Å; R263-N342 PolarHBondContact NH1-O 3.17Å; R263-N342 VanDerWaalsContact NH1-O 3.12Å; R340-N342 PolarHBondContact O-N 3.45Å
343V94.8Very high94.4Very high8 Ų854.5 Ų54.55%0.04827%0.27CS..  trans-117.5152.4172.7174.50000106.6A257 L262 R263 I326 L345A257-V343 HydrophobicContact CB-CG2 3.5Å; A257-V343 VanDerWaalsContact CB-CG2 3.5Å; L262-V343 HydrophobicContact CB-CG2 4.16Å; L262-V343 HydrophobicContact CD2-CG1 4.35Å; L262-V343 HydrophobicContact CD2-CG2 4.11Å; L262-V343 HydrophobicContact CG-CG1 4.34Å; L262-V343 HydrophobicContact CG-CG2 3.9Å; L262-V343 WeakPolarHBondContact O-CG2 3.41Å; R263-V343 CarbonylContact O-C 3.43Å; R263-V343 WeakPolarHBondContact O-CA 3.42Å; I326-V343 HydrophobicContact CD1-CB 4.13Å; I326-V343 HydrophobicContact CD1-CG2 4.01Å; V343-L345 HydrophobicContact CG1-CD2 4.2Å
344N93.9Very high94.4Very high78 Ų7860.7 Ų60.742%0.41729%0.294SS..EExtended strand (participates in β ladder)trans-130.3120.2169.1-176.568.4000107.9R263 T264 M265R263-N344 PolarHBondContact O-N 3.45Å; T264-N344 WeakPolarHBondContact CA-O 3.18Å; M265-N344 PolarHBondContact N-O 3.46Å
345L94.4Very high94.3Very high19 Ų1965.5 Ų65.510%0.09931%0.312CS..EExtended strand (participates in β ladder)trans-80.8140171.9-63.8-174.3000110.3M265 A267 N269 W318 E322 V343M265-L345 HydrophobicContact CB-CD2 3.84Å; M265-L345 HydrophobicContact CG-CD2 4.43Å; M265-L345 WeakPolarHBondContact O-CA 3.28Å; A267-L345 HydrophobicContact CB-CB 4.12Å; A267-L345 HydrophobicContact CB-CD1 3.96Å; A267-L345 HydrophobicContact CB-CD2 3.88Å; A267-L345 HydrophobicContact CB-CG 4.18Å; N269-L345 WeakPolarHBondContact OD1-CB 3.36Å; W318-L345 HydrophobicContact CB-CD1 3.84Å; W318-L345 VanDerWaalsContact O-CD1 3.3Å; W318-L345 WeakPolarHBondContact O-CD1 3.34Å; E322-L345 HydrophobicContact CB-CD1 4.05Å; E322-L345 HydrophobicContact CB-CG 4.31Å; E322-L345 HydrophobicContact CG-CG 4.38Å; E322-L345 WeakPolarHBondContact OE2-CB 3.5Å; E322-L345 VanDerWaalsContact OE2-CG 3.25Å; E322-L345 WeakPolarHBondContact OE2-CG 3.32Å; E322-L345 PolarHBondContact OE2-N 3.05Å; V343-L345 HydrophobicContact CG1-CD2 4.2Å
346T94.1Very high94.3Very high17 Ų1763.3 Ų63.310%0.10430%0.302CS..EExtended strand (participates in β ladder)trans-147140.3-179.9-174.60000113.4M265 R266 A267 N348 N352M265-T346 PolarHBondContact O-N 3.4Å; R266-T346 WeakPolarHBondContact CA-O 3.25Å; A267-T346 PolarHBondContact N-O 2.94Å; A267-T346 CarbonylContact O-C 3.6Å; T346-N348 PolarHBondContact OG1-N 3.42Å; T346-N352 HydrophobicContact CG2-CB 3.71Å
347T94.3Very high94.5Very high96 Ų9657.7 Ų57.759%0.58929%0.285SS*.SBendtrans-89.2-0.1173.356.20000113.2R266 A267R266-T347 PolarHBondContact NH1-O 3.1Å; A267-T347 WeakPolarHBondContact O-CG2 3.41Å; A267-T347 PolarHBondContact O-N 3.14Å
348N94.4Very high94.6Very high66 Ų6660.7 Ų60.735%0.35330%0.302SS..  trans-100.4121179-175.2-44.8000111.1T346 L350 I351 N352T346-N348 PolarHBondContact OG1-N 3.42Å; N348-L350 PolarHBondContact OD1-N 2.86Å; N348-I351 HydrophobicContact CB-CB 4.04Å; N348-I351 HydrophobicContact CB-CD1 3.89Å; N348-I351 HydrophobicContact CB-CG1 4.08Å; N348-I351 PolarHBondContact OD1-N 3.13Å; N348-I351 VanDerWaalsContact OD1-N 3.12Å; N348-N352 WeakPolarHBondContact O-CB 3.41Å; N348-N352 PolarHBondContact O-N 3.39Å; N348-N352 VanDerWaalsContact O-N 3.09Å
349H92.2Very high94.6Very high92 Ų9258.9 Ų58.943%0.42630%0.297SS..Hα-helixtrans-67.1-44.2-174.5-175.586.1000111.8N352 Q353H349-N352 PolarHBondContact O-N 2.91Å; H349-Q353 PolarHBondContact CE1-NE2 3.27Å; H349-Q353 WeakPolarHBondContact NE2-CG 3.4Å; H349-Q353 PolarHBondContact NE2-NE2 2.98Å; H349-Q353 WeakPolarHBondContact O-CG 3.19Å; H349-Q353 PolarHBondContact O-N 3.33Å
350L94.4Very high94.7Very high135 Ų13556.5 Ų56.571%0.70729%0.288SS*.Hα-helixtrans-65.9-44.2-177.5-62177.1000111.3N348 N352 Q353 Y354N348-L350 PolarHBondContact OD1-N 2.86Å; L350-N352 VanDerWaalsContact C-N 3.31Å; L350-N352 PolarHBondContact O-N 3.16Å; L350-Q353 PolarHBondContact O-N 2.85Å; L350-Y354 WeakPolarHBondContact O-CB 3.41Å; L350-Y354 PolarHBondContact O-N 2.97Å
351I94.4Very high94.8Very high76 Ų7657.8 Ų57.839%0.3930%0.296SS..Hα-helixtrans-60.8-43.3175.6-66.5178.1000110.2N348 Y354 W355N348-I351 HydrophobicContact CB-CB 4.04Å; N348-I351 HydrophobicContact CB-CD1 3.89Å; N348-I351 HydrophobicContact CB-CG1 4.08Å; N348-I351 PolarHBondContact OD1-N 3.13Å; N348-I351 VanDerWaalsContact OD1-N 3.12Å; I351-Y354 PolarHBondContact O-N 3.35Å; I351-W355 PolarHBondContact O-N 2.89Å
352N94.4Very high94.8Very high5 Ų560 Ų603%0.02731%0.313CS..Hα-helixtrans-63.4-43.7176.8-175.259.7000112.4T264 R266 T346 N348 H349 L350 Y354 W355 I356T264-N352 WeakPolarHBondContact CG2-OD1 3.2Å; T264-N352 PolarHBondContact OG1-OD1 3.18Å; R266-N352 HydrophobicContact CG-CB 4.14Å; R266-N352 VanDerWaalsContact CG-ND2 3.33Å; R266-N352 WeakPolarHBondContact CG-ND2 3.29Å; T346-N352 HydrophobicContact CG2-CB 3.71Å; N348-N352 WeakPolarHBondContact O-CB 3.41Å; N348-N352 PolarHBondContact O-N 3.39Å; N348-N352 VanDerWaalsContact O-N 3.09Å; H349-N352 PolarHBondContact O-N 2.91Å; L350-N352 VanDerWaalsContact C-N 3.31Å; L350-N352 PolarHBondContact O-N 3.16Å; N352-Y354 PolarHBondContact O-N 3.19Å; N352-W355 PolarHBondContact O-N 3.26Å; N352-I356 VanDerWaalsContact ND2-CD1 3.26Å; N352-I356 WeakPolarHBondContact ND2-CD1 3.4Å; N352-I356 WeakPolarHBondContact O-CB 3.25Å; N352-I356 VanDerWaalsContact O-CG1 3.29Å; N352-I356 WeakPolarHBondContact O-CG1 3.39Å; N352-I356 PolarHBondContact O-N 2.88Å
353Q94.5Very high94.8Very high82 Ų8258.5 Ų58.538%0.38331%0.307SS..Hα-helixtrans-62.8-42.3177.8-70.6-62.3-1300112.1H349 L350 W355 I356 A357H349-Q353 PolarHBondContact CE1-NE2 3.27Å; H349-Q353 WeakPolarHBondContact NE2-CG 3.4Å; H349-Q353 PolarHBondContact NE2-NE2 2.98Å; H349-Q353 WeakPolarHBondContact O-CG 3.19Å; H349-Q353 PolarHBondContact O-N 3.33Å; L350-Q353 PolarHBondContact O-N 2.85Å; Q353-W355 PolarHBondContact O-N 3.27Å; Q353-I356 PolarHBondContact O-N 2.88Å; Q353-A357 PolarHBondContact O-N 3.43Å
354Y95.9Very high94.8Very high131 Ų13158.1 Ų58.151%0.51431%0.305SS..Hα-helixtrans-55.8-51.4172.9170-96.2000111L350 I351 N352 I356 A357 V358L350-Y354 WeakPolarHBondContact O-CB 3.41Å; L350-Y354 PolarHBondContact O-N 2.97Å; I351-Y354 PolarHBondContact O-N 3.35Å; N352-Y354 PolarHBondContact O-N 3.19Å; Y354-I356 VanDerWaalsContact C-N 3.33Å; Y354-I356 PolarHBondContact O-N 3.41Å; Y354-A357 PolarHBondContact O-N 2.88Å; Y354-V358 HydrophobicContact CD2-CG2 4.18Å; Y354-V358 HydrophobicContact CE1-CG2 4.29Å; Y354-V358 HydrophobicContact CE2-CG2 3.78Å; Y354-V358 WeakPolarHBondContact O-CG2 3.29Å; Y354-V358 PolarHBondContact O-N 3.41Å
355W95.4Very high94.9Very high100 Ų10060.2 Ų60.238%0.37931%0.311SS..Hα-helixtrans-69-29.5179.4-74.4121.5000113.2T264 I351 N352 Q353 V358 S359T264-W355 HydrophobicContact CG2-CB 3.57Å; I351-W355 PolarHBondContact O-N 2.89Å; N352-W355 PolarHBondContact O-N 3.26Å; Q353-W355 PolarHBondContact O-N 3.27Å; W355-V358 HydrophobicContact CZ3-CG1 4.43Å; W355-S359 VanDerWaalsContact O-CA 3.31Å; W355-S359 WeakPolarHBondContact O-CA 3.3Å; W355-S359 WeakPolarHBondContact O-CB 3.43Å; W355-S359 PolarHBondContact O-N 3.12Å
356I95.5Very high94.9Very high13 Ų1364.1 Ų64.17%0.06733%0.331CS..Iπ-helixtrans-62-47.7170.3-77.4171.1000110.1T264 N352 Q353 Y354 H360 K361 H388T264-I356 HydrophobicContact CG2-CG1 3.83Å; N352-I356 VanDerWaalsContact ND2-CD1 3.26Å; N352-I356 WeakPolarHBondContact ND2-CD1 3.4Å; N352-I356 WeakPolarHBondContact O-CB 3.25Å; N352-I356 VanDerWaalsContact O-CG1 3.29Å; N352-I356 WeakPolarHBondContact O-CG1 3.39Å; N352-I356 PolarHBondContact O-N 2.88Å; Q353-I356 PolarHBondContact O-N 2.88Å; Y354-I356 VanDerWaalsContact C-N 3.33Å; Y354-I356 PolarHBondContact O-N 3.41Å; I356-H360 WeakPolarHBondContact O-CA 3.44Å; I356-H360 VanDerWaalsContact O-CB 3.26Å; I356-H360 WeakPolarHBondContact O-CB 3.38Å; I356-H360 PolarHBondContact O-N 3.12Å; I356-K361 HydrophobicContact CG2-CD 4.22Å; I356-K361 HydrophobicContact CG2-CG 4.28Å; I356-K361 PolarHBondContact O-N 3.47Å; I356-H388 VanDerWaalsContact CG2-CE1 3.43Å; I356-H388 WeakPolarHBondContact CG2-CE1 3.33Å
357A95.8Very high94.9Very high49 Ų4966.8 Ų66.841%0.40534%0.34SS..Iπ-helixtrans-62.3-51179.300000111.3Q353 Y354 A362Q353-A357 PolarHBondContact O-N 3.43Å; Y354-A357 PolarHBondContact O-N 2.88Å; A357-A362 WeakPolarHBondContact O-CB 3.41Å; A357-A362 PolarHBondContact O-N 3.33Å
358V95.3Very high95Very high64 Ų6462.6 Ų62.639%0.38831%0.314SS..Iπ-helixtrans-78.1-40.3-172.71760000113Y354 W355 P363Y354-V358 HydrophobicContact CD2-CG2 4.18Å; Y354-V358 HydrophobicContact CE1-CG2 4.29Å; Y354-V358 HydrophobicContact CE2-CG2 3.78Å; Y354-V358 WeakPolarHBondContact O-CG2 3.29Å; Y354-V358 PolarHBondContact O-N 3.41Å; W355-V358 HydrophobicContact CZ3-CG1 4.43Å; V358-P363 WeakPolarHBondContact O-CD 3.4Å; V358-P363 WeakPolarHBondContact O-CG 3.22Å
359S94.7Very high95.1Very high19 Ų1962.9 Ų62.913%0.13332%0.315CS..Iπ-helixtrans-104.5-16.6-171.9-71.40000114.6R339 W355R339-S359 VanDerWaalsContact CZ-O 3.25Å; R339-S359 PolarHBondContact NH1-O 3.37Å; R339-S359 PolarHBondContact NH2-O 2.45Å; W355-S359 VanDerWaalsContact O-CA 3.31Å; W355-S359 WeakPolarHBondContact O-CA 3.3Å; W355-S359 WeakPolarHBondContact O-CB 3.43Å; W355-S359 PolarHBondContact O-N 3.12Å
360H95.7Very high95.3Very high1 Ų161.7 Ų61.71%0.00532%0.316CS..Iπ-helixtrans-107.2-63.1172.7-60.2157.5000112.2I261 R263 T264 I356 A364 I384 H388I261-H360 PolarHBondContact O-CD2 2.97Å; I261-H360 VanDerWaalsContact O-CD2 3.3Å; R263-H360 WeakPolarHBondContact CB-NE2 3.26Å; R263-H360 PolarHBondContact N-NE2 3.05Å; T264-H360 PolarHBondContact N-NE2 3.41Å; T264-H360 PolarHBondContact O-CE1 2.93Å; I356-H360 WeakPolarHBondContact O-CA 3.44Å; I356-H360 VanDerWaalsContact O-CB 3.26Å; I356-H360 WeakPolarHBondContact O-CB 3.38Å; I356-H360 PolarHBondContact O-N 3.12Å; H360-A364 VanDerWaalsContact O-CB 3.25Å; H360-A364 WeakPolarHBondContact O-CB 3.43Å; H360-A364 PolarHBondContact O-N 2.91Å; H360-I384 HydrophobicContact CB-CD1 4.14Å; H360-I384 HydrophobicContact CB-CG2 4.04Å; H360-H388 AromaticContact CG-NE2 3.64Å; H360-H388 AromaticContact ND1-CD2 3.96Å; H360-H388 AromaticContact ND1-NE2 3.1Å; H360-H388 PolarHBondContact ND1-NE2 3.37Å; H360-H388 VanDerWaalsContact ND1-NE2 3.1Å
361K96.3Very high95.3Very high97 Ų9755.9 Ų55.942%0.42229%0.286SS..Iπ-helixtrans-72-50-168.3-66.6-178.8178176.10112.8I356 A364 F365I356-K361 HydrophobicContact CG2-CD 4.22Å; I356-K361 HydrophobicContact CG2-CG 4.28Å; I356-K361 PolarHBondContact O-N 3.47Å; K361-A364 PolarHBondContact O-N 2.91Å; K361-F365 WeakPolarHBondContact O-CB 3.35Å; K361-F365 PolarHBondContact O-N 3.45Å
362A95.8Very high95.3Very high46 Ų4660.1 Ų60.138%0.3830%0.297SS..Hα-helixtrans-60.4-48.1-177.600000113.2A357 A364 F365 L366A357-A362 WeakPolarHBondContact O-CB 3.41Å; A357-A362 PolarHBondContact O-N 3.33Å; A362-A364 VanDerWaalsContact C-N 3.33Å; A362-A364 PolarHBondContact O-N 3.48Å; A362-F365 PolarHBondContact O-N 3.11Å; A362-L366 WeakPolarHBondContact O-CG 3.27Å; A362-L366 PolarHBondContact O-N 3.48Å
363P93.7Very high95.4Very high34 Ų3466.4 Ų66.422%0.22133%0.328CS..Hα-helixtrans-65-35.5177.2-2335.4000113V358 Y367V358-P363 WeakPolarHBondContact O-CD 3.4Å; V358-P363 WeakPolarHBondContact O-CG 3.22Å; P363-Y367 VanDerWaalsContact O-CB 3.27Å; P363-Y367 WeakPolarHBondContact O-CB 3.37Å; P363-Y367 PolarHBondContact O-N 2.96Å
364A95.3Very high95.5Very high0 Ų066.9 Ų66.90%034%0.336CS..Hα-helixtrans-67.8-42.4177.400000112.2H360 K361 A362 Y367 D368 M380 M381 I384H360-A364 VanDerWaalsContact O-CB 3.25Å; H360-A364 WeakPolarHBondContact O-CB 3.43Å; H360-A364 PolarHBondContact O-N 2.91Å; K361-A364 PolarHBondContact O-N 2.91Å; A362-A364 VanDerWaalsContact C-N 3.33Å; A362-A364 PolarHBondContact O-N 3.48Å; A364-Y367 PolarHBondContact O-N 2.86Å; A364-D368 WeakPolarHBondContact O-CB 3.42Å; A364-D368 PolarHBondContact O-N 3.29Å; A364-M380 HydrophobicContact CB-CB 4.1Å; A364-M380 HydrophobicContact CB-CG 3.52Å; A364-M381 HydrophobicContact CB-CG 4.26Å; A364-M381 HydrophobicContact CB-SD 3.61Å; A364-I384 HydrophobicContact CB-CG1 3.71Å
365F96.4Very high95.4Very high122 Ų12264.2 Ų64.254%0.53535%0.349SS..Hα-helixtrans-62.3-48.1175.1176.7-96.1000111.6K361 A362 Y367 D368 L369 M381K361-F365 WeakPolarHBondContact O-CB 3.35Å; K361-F365 PolarHBondContact O-N 3.45Å; A362-F365 PolarHBondContact O-N 3.11Å; F365-Y367 VanDerWaalsContact C-N 3.32Å; F365-Y367 PolarHBondContact O-N 3.26Å; F365-D368 PolarHBondContact O-N 2.83Å; F365-L369 WeakPolarHBondContact O-CB 3.06Å; F365-L369 PolarHBondContact O-N 2.98Å; F365-M381 HydrophobicContact CB-SD 4.23Å
366L95.1Very high95.4Very high101 Ų10167.5 Ų67.553%0.52936%0.361SS..Hα-helixtrans-60.8-42177.4-69.5174.1000111.6A362 L369 C370A362-L366 WeakPolarHBondContact O-CG 3.27Å; A362-L366 PolarHBondContact O-N 3.48Å; L366-L369 PolarHBondContact O-N 2.78Å; L366-C370 PolarHBondContact O-N 3.23Å; L366-C370 PolarHBondContact O-SG 2.88Å; L366-C370 VanDerWaalsContact O-SG 3.35Å
367Y94Very high95.3Very high73 Ų7374.5 Ų74.529%0.28639%0.394SS..Hα-helixtrans-62.6-45.2176.3-178.5-97.1000112.1F338 P363 A364 F365 L369 C370 L371 R379 M380F338-Y367 HydrophobicContact CE2-CD2 4.01Å; F338-Y367 HydrophobicContact CE2-CE2 4.4Å; F338-Y367 HydrophobicContact CE2-CG 4.19Å; P363-Y367 VanDerWaalsContact O-CB 3.27Å; P363-Y367 WeakPolarHBondContact O-CB 3.37Å; P363-Y367 PolarHBondContact O-N 2.96Å; A364-Y367 PolarHBondContact O-N 2.86Å; F365-Y367 VanDerWaalsContact C-N 3.32Å; F365-Y367 PolarHBondContact O-N 3.26Å; Y367-L369 VanDerWaalsContact C-N 3.33Å; Y367-L369 PolarHBondContact O-N 2.78Å; Y367-C370 WeakPolarHBondContact O-CB 3.42Å; Y367-C370 PolarHBondContact O-N 2.94Å; Y367-L371 HydrophobicContact CD1-CD1 3.83Å; Y367-L371 HydrophobicContact CD1-CG 4.25Å; Y367-L371 HydrophobicContact CE1-CD1 3.38Å; Y367-L371 HydrophobicContact CE1-CD2 4.45Å; Y367-L371 HydrophobicContact CE1-CG 3.97Å; Y367-L371 WeakPolarHBondContact O-CG 3.45Å; Y367-L371 PolarHBondContact O-N 2.98Å; Y367-R379 PolarHBondContact OH-NH2 3.24Å; Y367-R379 VanDerWaalsContact OH-NH2 3.08Å; Y367-M380 HydrophobicContact CD1-CB 3.61Å; Y367-M380 HydrophobicContact CD1-CG 4.21Å; Y367-M380 HydrophobicContact CE1-CB 4.24Å; Y367-M380 HydrophobicContact CG-CB 4.47Å
368D96.1Very high95.2Very high9 Ų973.7 Ų73.75%0.04838%0.384CS..Hα-helixtrans-67.1-33.4177.4-81.8-9.4000112.4A364 F365 L371 R372 P378 R379 M380 M381A364-D368 WeakPolarHBondContact O-CB 3.42Å; A364-D368 PolarHBondContact O-N 3.29Å; F365-D368 PolarHBondContact O-N 2.83Å; D368-L371 PolarHBondContact O-N 3.01Å; D368-R372 WeakPolarHBondContact O-CG 3.23Å; D368-R372 PolarHBondContact O-N 3.2Å; D368-P378 HydrophobicContact CB-CB 3.66Å; D368-P378 WeakPolarHBondContact OD1-CA 3.2Å; D368-R379 PolarHBondContact OD1-N 2.93Å; D368-M380 WeakPolarHBondContact OD1-CB 3.38Å; D368-M380 PolarHBondContact OD1-N 3.31Å; D368-M380 PolarHBondContact OD2-N 2.87Å; D368-M381 WeakPolarHBondContact OD2-CB 3.43Å; D368-M381 WeakPolarHBondContact OD2-CG 3.26Å; D368-M381 PolarHBondContact OD2-N 2.62Å
369L96.9Very high95.1Very high72 Ų7277.9 Ų77.938%0.37739%0.393SS..Hα-helixtrans-63.5-46.2171.9-177.963.2000110.9F365 L366 Y367 L371 R372 M373F365-L369 WeakPolarHBondContact O-CB 3.06Å; F365-L369 PolarHBondContact O-N 2.98Å; L366-L369 PolarHBondContact O-N 2.78Å; Y367-L369 VanDerWaalsContact C-N 3.33Å; Y367-L369 PolarHBondContact O-N 2.78Å; L369-L371 VanDerWaalsContact C-N 3.33Å; L369-L371 PolarHBondContact O-N 2.96Å; L369-R372 PolarHBondContact O-N 3.4Å; L369-M373 HydrophobicContact CG-CE 4.17Å; L369-M373 HydrophobicContact CG-SD 4.48Å; L369-M373 WeakPolarHBondContact O-CG 2.89Å; L369-M373 PolarHBondContact O-N 3.32Å
370C95.1Very high95.1Very high66 Ų6677.6 Ų77.645%0.44639%0.39SS..Hα-helixtrans-59-43.3173.7-69.50000112L366 Y367 R372 M373 T374L366-C370 PolarHBondContact O-N 3.23Å; L366-C370 PolarHBondContact O-SG 2.88Å; L366-C370 VanDerWaalsContact O-SG 3.35Å; Y367-C370 WeakPolarHBondContact O-CB 3.42Å; Y367-C370 PolarHBondContact O-N 2.94Å; C370-R372 PolarHBondContact O-N 3.14Å; C370-M373 HydrophobicContact CB-CE 4.45Å; C370-M373 PolarHBondContact O-N 3.48Å; C370-T374 WeakPolarHBondContact O-CG2 3.43Å; C370-T374 PolarHBondContact O-N 3.46Å; C370-T374 PolarHBondContact O-OG1 3.45Å
371L94.7Very high95Very high13 Ų1380.3 Ų80.37%0.06840%0.403CS..Hα-helixtrans-58.5-48.7176.2-72.8179.9000111.4Y367 D368 L369 M373 T374 G375 R376 E377 R379Y367-L371 HydrophobicContact CD1-CD1 3.83Å; Y367-L371 HydrophobicContact CD1-CG 4.25Å; Y367-L371 HydrophobicContact CE1-CD1 3.38Å; Y367-L371 HydrophobicContact CE1-CD2 4.45Å; Y367-L371 HydrophobicContact CE1-CG 3.97Å; Y367-L371 WeakPolarHBondContact O-CG 3.45Å; Y367-L371 PolarHBondContact O-N 2.98Å; D368-L371 PolarHBondContact O-N 3.01Å; L369-L371 VanDerWaalsContact C-N 3.33Å; L369-L371 PolarHBondContact O-N 2.96Å; L371-M373 PolarHBondContact O-N 3.33Å; L371-T374 WeakPolarHBondContact CA-OG1 3.36Å; L371-T374 CarbonylContact O-C 3.13Å; L371-T374 WeakPolarHBondContact O-CA 3.48Å; L371-T374 PolarHBondContact O-N 3.04Å; L371-T374 PolarHBondContact O-OG1 2.78Å; L371-G375 PolarHBondContact O-N 2.82Å; L371-R376 CarbonylContact C-O 3.25Å; L371-R376 VanDerWaalsContact C-O 3.25Å; L371-R376 HydrophobicContact CB-CB 4.09Å; L371-R376 HydrophobicContact CD2-CB 3.95Å; L371-R376 WeakPolarHBondContact O-CA 3.31Å; L371-R376 PolarHBondContact O-N 3.24Å; L371-E377 WeakPolarHBondContact CD1-O 3.35Å; L371-R379 HydrophobicContact CD1-CG 4.03Å
372R95.8Very high94.9Very high165 Ų16581.9 Ų81.962%0.62341%0.41SS*.Hα-helixtrans-58-45.6176.8-72.8176-177.6-168.6-1112.3D368 L369 C370 T374 G375 R376 P378D368-R372 WeakPolarHBondContact O-CG 3.23Å; D368-R372 PolarHBondContact O-N 3.2Å; L369-R372 PolarHBondContact O-N 3.4Å; C370-R372 PolarHBondContact O-N 3.14Å; R372-T374 PolarHBondContact O-N 2.96Å; R372-G375 PolarHBondContact O-N 2.94Å; R372-R376 PolarHBondContact N-O 2.62Å; R372-P378 HydrophobicContact CG-CB 4.42Å; R372-P378 HydrophobicContact CG-CG 4.35Å
373M96.1Very high94.8Very high138 Ų13882.5 Ų82.568%0.6841%0.409SS*.Hα-helixtrans-62.5-27.2177-68.7-173.6-60.900112.7L369 C370 L371L369-M373 HydrophobicContact CG-CE 4.17Å; L369-M373 HydrophobicContact CG-SD 4.48Å; L369-M373 WeakPolarHBondContact O-CG 2.89Å; L369-M373 PolarHBondContact O-N 3.32Å; C370-M373 HydrophobicContact CB-CE 4.45Å; C370-M373 PolarHBondContact O-N 3.48Å; L371-M373 PolarHBondContact O-N 3.33Å
374T95.7Very high94.8Very high91 Ų9180.9 Ų80.956%0.55840%0.399SS*.THydrogen-bonded Turntrans-91.912.4174.861.70000114.2C370 L371 R372 R376C370-T374 WeakPolarHBondContact O-CG2 3.43Å; C370-T374 PolarHBondContact O-N 3.46Å; C370-T374 PolarHBondContact O-OG1 3.45Å; L371-T374 WeakPolarHBondContact CA-OG1 3.36Å; L371-T374 CarbonylContact O-C 3.13Å; L371-T374 WeakPolarHBondContact O-CA 3.48Å; L371-T374 PolarHBondContact O-N 3.04Å; L371-T374 PolarHBondContact O-OG1 2.78Å; R372-T374 PolarHBondContact O-N 2.96Å; T374-R376 VanDerWaalsContact C-N 3.3Å; T374-R376 PolarHBondContact O-N 3Å
375G94.2Very high94.7Very high75 Ų7584.2 Ų84.277%0.77342%0.419SS*.THydrogen-bonded Turntrans71.818.2-179.600000114.8L371 R372L371-G375 PolarHBondContact O-N 2.82Å; R372-G375 PolarHBondContact O-N 2.94Å
376R94.8Very high94.5Very high170 Ų17087.6 Ų87.664%0.64243%0.428SS*.  trans-105.8152.3-179.8-61.9179.3-177.7-170.80.4111.4L371 R372 T374L371-R376 CarbonylContact C-O 3.25Å; L371-R376 VanDerWaalsContact C-O 3.25Å; L371-R376 HydrophobicContact CB-CB 4.09Å; L371-R376 HydrophobicContact CD2-CB 3.95Å; L371-R376 WeakPolarHBondContact O-CA 3.31Å; L371-R376 PolarHBondContact O-N 3.24Å; R372-R376 PolarHBondContact N-O 2.62Å; T374-R376 VanDerWaalsContact C-N 3.3Å; T374-R376 PolarHBondContact O-N 3Å
377E93.9Very high94.3Very high160 Ų16083.6 Ų83.675%0.74841%0.407SS*.  trans-71.2137179.1-66.2-164.3164.700113.2L371L371-E377 WeakPolarHBondContact CD1-O 3.35Å
378P93.3Very high94.3Very high32 Ų3281.5 Ų81.521%0.20840%0.4CS..  trans-70.1135.5174.431.5-37.1000111.5D368 R372D368-P378 HydrophobicContact CB-CB 3.66Å; D368-P378 WeakPolarHBondContact OD1-CA 3.2Å; R372-P378 HydrophobicContact CG-CB 4.42Å; R372-P378 HydrophobicContact CG-CG 4.35Å
379R93.8Very high93.9Very high151 Ų15187.3 Ų87.357%0.5743%0.425SS*.  trans-139.6-22.8-173.964.5179.2-179.31711.2115.1Y367 D368 L371 K382 T383Y367-R379 PolarHBondContact OH-NH2 3.24Å; Y367-R379 VanDerWaalsContact OH-NH2 3.08Å; D368-R379 PolarHBondContact OD1-N 2.93Å; L371-R379 HydrophobicContact CD1-CG 4.03Å; R379-K382 PolarHBondContact O-N 3.24Å; R379-T383 PolarHBondContact O-N 2.73Å; R379-T383 PolarHBondContact O-OG1 3.27Å
380M93.6Very high93.5Very high13 Ų1386 Ų866%0.06442%0.424CS..Hα-helixtrans-76.2-38.5-170.2-168.462.4-175.200112I261 F338 A364 Y367 D368 K382 T383 I384I261-M380 HydrophobicContact CB-CE 4.47Å; I261-M380 HydrophobicContact CG1-CE 4.13Å; I261-M380 HydrophobicContact CG2-CE 3.88Å; F338-M380 HydrophobicContact CD1-CE 3.81Å; F338-M380 HydrophobicContact CD2-CE 4.29Å; F338-M380 HydrophobicContact CE1-CE 3.85Å; F338-M380 HydrophobicContact CE2-CE 4.32Å; F338-M380 HydrophobicContact CG-CE 4.04Å; F338-M380 HydrophobicContact CZ-CE 4.11Å; A364-M380 HydrophobicContact CB-CB 4.1Å; A364-M380 HydrophobicContact CB-CG 3.52Å; Y367-M380 HydrophobicContact CD1-CB 3.61Å; Y367-M380 HydrophobicContact CD1-CG 4.21Å; Y367-M380 HydrophobicContact CE1-CB 4.24Å; Y367-M380 HydrophobicContact CG-CB 4.47Å; D368-M380 WeakPolarHBondContact OD1-CB 3.38Å; D368-M380 PolarHBondContact OD1-N 3.31Å; D368-M380 PolarHBondContact OD2-N 2.87Å; M380-K382 VanDerWaalsContact C-N 3.31Å; M380-K382 PolarHBondContact O-N 3.05Å; M380-T383 WeakPolarHBondContact O-CB 3.5Å; M380-T383 PolarHBondContact O-N 3.21Å; M380-T383 VanDerWaalsContact O-N 3.14Å; M380-I384 HydrophobicContact CE-CD1 4.18Å; M380-I384 HydrophobicContact CE-CG1 4.31Å; M380-I384 WeakPolarHBondContact O-CG1 3.23Å; M380-I384 PolarHBondContact O-N 3.43Å
381M95.3Very high93.3Very high58 Ų5883.4 Ų83.429%0.28641%0.406SS..Hα-helixtrans-62.2-39.4173.6-75.5-60.9-62.700111.8A364 F365 D368 T383 I384 T385A364-M381 HydrophobicContact CB-CG 4.26Å; A364-M381 HydrophobicContact CB-SD 3.61Å; F365-M381 HydrophobicContact CB-SD 4.23Å; D368-M381 WeakPolarHBondContact OD2-CB 3.43Å; D368-M381 WeakPolarHBondContact OD2-CG 3.26Å; D368-M381 PolarHBondContact OD2-N 2.62Å; M381-T383 VanDerWaalsContact C-N 3.29Å; M381-T383 PolarHBondContact O-N 3.37Å; M381-I384 PolarHBondContact O-N 3.26Å; M381-T385 WeakPolarHBondContact O-CB 3.22Å; M381-T385 PolarHBondContact O-N 3.42Å; M381-T385 PolarHBondContact O-OG1 3.38Å
382K93.7Very high92.9Very high131 Ų13189 Ų8957%0.5743%0.433SS*.Hα-helixtrans-59.5-42.4173.7-66177.1-179.3170.50111.2R379 M380 T385 R386R379-K382 PolarHBondContact O-N 3.24Å; M380-K382 VanDerWaalsContact C-N 3.31Å; M380-K382 PolarHBondContact O-N 3.05Å; K382-T385 PolarHBondContact O-N 3.04Å; K382-R386 WeakPolarHBondContact O-CG 3.3Å; K382-R386 PolarHBondContact O-N 3.35Å; K382-R386 VanDerWaalsContact O-N 3.14Å
383T93.1Very high92.4Very high58 Ų5883.3 Ų83.336%0.35642%0.416SS..Hα-helixtrans-64.1-47.5177.3-56.30000111.6I261 R379 M380 M381 T385 R386 L387I261-T383 HydrophobicContact CD1-CG2 4.37Å; R379-T383 PolarHBondContact O-N 2.73Å; R379-T383 PolarHBondContact O-OG1 3.27Å; M380-T383 WeakPolarHBondContact O-CB 3.5Å; M380-T383 PolarHBondContact O-N 3.21Å; M380-T383 VanDerWaalsContact O-N 3.14Å; M381-T383 VanDerWaalsContact C-N 3.29Å; M381-T383 PolarHBondContact O-N 3.37Å; T383-T385 PolarHBondContact O-N 3.06Å; T383-R386 PolarHBondContact O-N 3.28Å; T383-L387 PolarHBondContact O-N 2.96Å
384I94.4Very high92.2Very high1 Ų177.9 Ų77.91%0.00539%0.39CS..Hα-helixtrans-62.8-41177.4-70.4-57.6000111.8I261 H360 A364 M380 M381 R386 L387 H388I261-I384 HydrophobicContact CG2-CD1 3.61Å; H360-I384 HydrophobicContact CB-CD1 4.14Å; H360-I384 HydrophobicContact CB-CG2 4.04Å; A364-I384 HydrophobicContact CB-CG1 3.71Å; M380-I384 HydrophobicContact CE-CD1 4.18Å; M380-I384 HydrophobicContact CE-CG1 4.31Å; M380-I384 WeakPolarHBondContact O-CG1 3.23Å; M380-I384 PolarHBondContact O-N 3.43Å; M381-I384 PolarHBondContact O-N 3.26Å; I384-R386 VanDerWaalsContact C-N 3.34Å; I384-R386 PolarHBondContact O-N 3Å; I384-L387 HydrophobicContact CD1-CD2 4.32Å; I384-L387 WeakPolarHBondContact O-CB 3.38Å; I384-L387 PolarHBondContact O-N 3.36Å; I384-H388 WeakPolarHBondContact CG2-CE1 3.4Å; I384-H388 PolarHBondContact O-N 3.02Å
385T93.6Very high92Very high70 Ų7076 Ų7643%0.42938%0.375SS..Hα-helixtrans-61.4-42176.5-620000111.8M381 K382 T383 H388 K389M381-T385 WeakPolarHBondContact O-CB 3.22Å; M381-T385 PolarHBondContact O-N 3.42Å; M381-T385 PolarHBondContact O-OG1 3.38Å; K382-T385 PolarHBondContact O-N 3.04Å; T383-T385 PolarHBondContact O-N 3.06Å; T385-H388 PolarHBondContact O-N 2.9Å; T385-K389 WeakPolarHBondContact O-CG 3.48Å; T385-K389 PolarHBondContact O-N 2.9Å; T385-K389 VanDerWaalsContact O-N 3.13Å
386R90.9Very high91.9Very high193 Ų19375.1 Ų75.173%0.72835%0.349SS*.Hα-helixtrans-63.9-43.3175-70.9176.9-176.1178.40.1111.6K382 T383 I384 K389 A390K382-R386 WeakPolarHBondContact O-CG 3.3Å; K382-R386 PolarHBondContact O-N 3.35Å; K382-R386 VanDerWaalsContact O-N 3.14Å; T383-R386 PolarHBondContact O-N 3.28Å; I384-R386 VanDerWaalsContact C-N 3.34Å; I384-R386 PolarHBondContact O-N 3Å; R386-K389 PolarHBondContact O-N 2.87Å; R386-A390 PolarHBondContact O-N 3.41Å; R386-A390 VanDerWaalsContact O-N 3.13Å
387L92.1Very high91.9Very high17 Ų1767.4 Ų67.49%0.08932%0.32CS..Hα-helixtrans-60.2-46.2176.4179.465.2000111.9I253 A256 I261 L262 T383 I384 K389 A390 M391I253-L387 HydrophobicContact CD1-CD1 4.07Å; A256-L387 HydrophobicContact CB-CD1 3.77Å; A256-L387 HydrophobicContact CB-CD2 4.46Å; I261-L387 HydrophobicContact CG2-CD2 3.94Å; L262-L387 HydrophobicContact CB-CD2 4.11Å; L262-L387 HydrophobicContact CD1-CD1 4.41Å; L262-L387 HydrophobicContact CD1-CD2 4.03Å; L262-L387 HydrophobicContact CD1-CG 4.42Å; T383-L387 PolarHBondContact O-N 2.96Å; I384-L387 HydrophobicContact CD1-CD2 4.32Å; I384-L387 WeakPolarHBondContact O-CB 3.38Å; I384-L387 PolarHBondContact O-N 3.36Å; L387-K389 PolarHBondContact O-N 3.23Å; L387-A390 WeakPolarHBondContact O-CB 3.38Å; L387-A390 PolarHBondContact O-N 2.7Å; L387-M391 HydrophobicContact CD1-CG 4.4Å; L387-M391 HydrophobicContact CD1-SD 4.4Å; L387-M391 HydrophobicContact CD2-SD 4.38Å; L387-M391 HydrophobicContact CG-CG 4.38Å; L387-M391 HydrophobicContact CG-SD 3.85Å; L387-M391 VanDerWaalsContact O-CG 3.28Å; L387-M391 WeakPolarHBondContact O-CG 3.32Å; L387-M391 PolarHBondContact O-N 2.92Å
388H92.6Very high91.9Very high28 Ų2860.1 Ų60.113%0.1329%0.286CS..Hα-helixtrans-63.9-39.4179.5-69.8173.7000112.2I356 H360 I384 T385 A390 M391 M392I356-H388 VanDerWaalsContact CG2-CE1 3.43Å; I356-H388 WeakPolarHBondContact CG2-CE1 3.33Å; H360-H388 AromaticContact CG-NE2 3.64Å; H360-H388 AromaticContact ND1-CD2 3.96Å; H360-H388 AromaticContact ND1-NE2 3.1Å; H360-H388 PolarHBondContact ND1-NE2 3.37Å; H360-H388 VanDerWaalsContact ND1-NE2 3.1Å; I384-H388 WeakPolarHBondContact CG2-CE1 3.4Å; I384-H388 PolarHBondContact O-N 3.02Å; T385-H388 PolarHBondContact O-N 2.9Å; H388-A390 VanDerWaalsContact C-N 3.33Å; H388-A390 PolarHBondContact O-N 3.08Å; H388-M391 PolarHBondContact O-N 3.46Å; H388-M392 WeakPolarHBondContact O-CG 3.49Å; H388-M392 PolarHBondContact O-N 3.41Å
389K88.9Confident91.9Very high131 Ų13160.2 Ų60.257%0.5729%0.288SS*.Hα-helixtrans-57.8-46.3172.6-73.4-177.2178.3-169.70111.4T385 R386 L387 V393T385-K389 WeakPolarHBondContact O-CG 3.48Å; T385-K389 PolarHBondContact O-N 2.9Å; T385-K389 VanDerWaalsContact O-N 3.13Å; R386-K389 PolarHBondContact O-N 2.87Å; L387-K389 PolarHBondContact O-N 3.23Å; K389-V393 VanDerWaalsContact O-CG2 3.31Å; K389-V393 WeakPolarHBondContact O-CG2 3.42Å; K389-V393 PolarHBondContact O-N 3.05Å
390A87.8Confident92Very high44 Ų4457.3 Ų57.336%0.36428%0.28SS..Hα-helixtrans-62.9-43.5176.700000112.3R386 L387 H388 V393 L394R386-A390 PolarHBondContact O-N 3.41Å; R386-A390 VanDerWaalsContact O-N 3.13Å; L387-A390 WeakPolarHBondContact O-CB 3.38Å; L387-A390 PolarHBondContact O-N 2.7Å; H388-A390 VanDerWaalsContact C-N 3.33Å; H388-A390 PolarHBondContact O-N 3.08Å; A390-V393 PolarHBondContact O-N 3.49Å; A390-L394 WeakPolarHBondContact O-CG 3.35Å; A390-L394 PolarHBondContact O-N 3.37Å
391M90.6Very high92Very high12 Ų1259.1 Ų59.16%0.05930%0.295CS..Hα-helixtrans-61.8-44.3178.7-68.6164.260.700112.9I253 L262 T264 M265 L387 H388 V393 L394 E395I253-M391 HydrophobicContact CD1-CG 4.33Å; L262-M391 HydrophobicContact CD1-CE 3.96Å; L262-M391 HydrophobicContact CD1-CG 4.29Å; L262-M391 HydrophobicContact CD1-SD 3.51Å; L262-M391 VanDerWaalsContact CD1-SD 3.51Å; T264-M391 WeakPolarHBondContact O-CE 3.07Å; M265-M391 HydrophobicContact CB-CE 3.98Å; M265-M391 HydrophobicContact CG-CE 4.11Å; M265-M391 HydrophobicContact CG-CG 4.42Å; M265-M391 HydrophobicContact SD-CG 4.33Å; L387-M391 HydrophobicContact CD1-CG 4.4Å; L387-M391 HydrophobicContact CD1-SD 4.4Å; L387-M391 HydrophobicContact CD2-SD 4.38Å; L387-M391 HydrophobicContact CG-CG 4.38Å; L387-M391 HydrophobicContact CG-SD 3.85Å; L387-M391 VanDerWaalsContact O-CG 3.28Å; L387-M391 WeakPolarHBondContact O-CG 3.32Å; L387-M391 PolarHBondContact O-N 2.92Å; H388-M391 PolarHBondContact O-N 3.46Å; M391-V393 VanDerWaalsContact C-N 3.29Å; M391-V393 PolarHBondContact O-N 3.33Å; M391-L394 PolarHBondContact O-N 2.94Å; M391-E395 PolarHBondContact O-N 3.32Å
392M87.1Confident92.1Very high132 Ų13257.2 Ų57.265%0.6528%0.284SS*.Hα-helixtrans-61.6-40.4-179-72.8-168.2-52.800111.9H388 L394 E395H388-M392 WeakPolarHBondContact O-CG 3.49Å; H388-M392 PolarHBondContact O-N 3.41Å; M392-L394 VanDerWaalsContact C-N 3.27Å; M392-L394 PolarHBondContact O-N 2.96Å; M392-E395 PolarHBondContact O-N 3.42Å
393V85.9Confident92.2Very high44 Ų4455.3 Ų55.327%0.26728%0.283SS..Hα-helixtrans-68-29.5179.5169.90000112.1F117 K389 A390 M391F117-V393 HydrophobicContact CB-CG1 3.2Å; F117-V393 HydrophobicContact CD2-CG1 3.28Å; F117-V393 HydrophobicContact CE2-CG1 4.36Å; F117-V393 HydrophobicContact CG-CG1 3.6Å; K389-V393 VanDerWaalsContact O-CG2 3.31Å; K389-V393 WeakPolarHBondContact O-CG2 3.42Å; K389-V393 PolarHBondContact O-N 3.05Å; A390-V393 PolarHBondContact O-N 3.49Å; M391-V393 VanDerWaalsContact C-N 3.29Å; M391-V393 PolarHBondContact O-N 3.33Å
394L89.9Confident92.3Very high24 Ų2453 Ų5313%0.12627%0.268CS..Hα-helixtrans-87.8-18.2179.8-66.5174.8000113.5F117 I253 M265 A390 M391 M392 Y396 F397 T398F117-L394 HydrophobicContact CE2-CD2 4.11Å; I253-L394 HydrophobicContact CD1-CD1 4.15Å; I253-L394 HydrophobicContact CG1-CD1 3.75Å; M265-L394 HydrophobicContact CE-CB 3.87Å; A390-L394 WeakPolarHBondContact O-CG 3.35Å; A390-L394 PolarHBondContact O-N 3.37Å; M391-L394 PolarHBondContact O-N 2.94Å; M392-L394 VanDerWaalsContact C-N 3.27Å; M392-L394 PolarHBondContact O-N 2.96Å; L394-Y396 PolarHBondContact O-N 3.5Å; L394-Y396 VanDerWaalsContact O-N 3.1Å; L394-F397 PolarHBondContact O-N 3.24Å; L394-T398 HydrophobicContact CB-CG2 4.46Å; L394-T398 PolarHBondContact O-N 3.43Å; L394-T398 PolarHBondContact O-OG1 2.85Å
395E92.1Very high92.4Very high53 Ų5355 Ų5525%0.24828%0.279CS..Hα-helixtrans-52.4-39-173.3175.5167.8175.500112.9R266 M391 M392 F397 T398 S399R266-E395 HydrophobicContact CB-CB 4.37Å; R266-E395 VanDerWaalsContact CB-CD 3.45Å; R266-E395 HydrophobicContact CB-CG 3.68Å; R266-E395 HydrophobicContact CG-CG 4.5Å; R266-E395 IonicContact CZ-OE1 3.66Å; R266-E395 IonicContact NE-OE1 2.77Å; R266-E395 PolarHBondContact NE-OE1 3.25Å; R266-E395 IonicContact NH2-OE1 3.33Å; R266-E395 PolarHBondContact NH2-OE1 2.89Å; M391-E395 PolarHBondContact O-N 3.32Å; M392-E395 PolarHBondContact O-N 3.42Å; E395-F397 PolarHBondContact O-N 3.4Å; E395-T398 WeakPolarHBondContact CA-OG1 3.37Å; E395-T398 PolarHBondContact O-N 3.37Å; E395-T398 PolarHBondContact O-OG1 3.4Å; E395-S399 WeakPolarHBondContact O-CB 3.4Å; E395-S399 PolarHBondContact O-N 2.92Å; E395-S399 VanDerWaalsContact O-N 3.09Å; E395-S399 PolarHBondContact O-OG 3.12Å
396Y93Very high92.5Very high55 Ų5552.4 Ų52.422%0.21626%0.263CS..Hα-helixtrans-60.2-46.4177.4-173.2-95.4000111.8C158 P201 L394 S399 H400 W402C158-Y396 HydrophobicContact CB-CE1 4.17Å; C158-Y396 PolarHBondContact O-OH 3.18Å; P201-Y396 HydrophobicContact CB-CD1 3.67Å; P201-Y396 HydrophobicContact CB-CD2 3.99Å; P201-Y396 HydrophobicContact CB-CE1 4.21Å; P201-Y396 HydrophobicContact CB-CG 3.52Å; P201-Y396 HydrophobicContact CG-CD1 3.52Å; P201-Y396 HydrophobicContact CG-CE1 3.77Å; P201-Y396 HydrophobicContact CG-CG 3.95Å; L394-Y396 PolarHBondContact O-N 3.5Å; L394-Y396 VanDerWaalsContact O-N 3.1Å; Y396-S399 PolarHBondContact O-N 3.34Å; Y396-H400 AromaticContact CD2-CE1 3.89Å; Y396-H400 AromaticContact CD2-ND1 3.97Å; Y396-H400 PolarHBondContact O-N 3.25Å; Y396-H400 PolarHBondContact O-ND1 3.1Å; Y396-W402 HydrophobicContact CD1-CH2 4.21Å; Y396-W402 HydrophobicContact CD1-CZ2 4.04Å; Y396-W402 HydrophobicContact CE1-CH2 4.21Å; Y396-W402 AromaticContact CE1-CZ2 3.57Å; Y396-W402 HydrophobicContact CE1-CZ2 3.57Å
397F93.8Very high92.7Very high8 Ų848.2 Ų48.24%0.03526%0.255CS..Hα-helixtrans-73.7-28.7-179-55.5-69.1000113.4Y155 P201 T205 L394 E395 W402Y155-F397 AromaticContact CD1-CD1 3.5Å; Y155-F397 HydrophobicContact CD1-CD1 3.5Å; Y155-F397 AromaticContact CD1-CE1 3.52Å; Y155-F397 HydrophobicContact CD1-CE1 3.52Å; Y155-F397 HydrophobicContact CD2-CE1 4.47Å; Y155-F397 AromaticContact CE1-CD1 3.68Å; Y155-F397 HydrophobicContact CE1-CD1 3.68Å; Y155-F397 HydrophobicContact CE1-CE1 4.18Å; Y155-F397 AromaticContact CG-CD1 3.99Å; Y155-F397 HydrophobicContact CG-CD1 3.99Å; Y155-F397 AromaticContact CG-CE1 3.68Å; Y155-F397 HydrophobicContact CG-CE1 3.68Å; P201-F397 HydrophobicContact CB-CZ 4.48Å; P201-F397 HydrophobicContact CG-CE1 4.17Å; P201-F397 HydrophobicContact CG-CE2 4.24Å; P201-F397 HydrophobicContact CG-CZ 3.62Å; T205-F397 HydrophobicContact CG2-CE1 4.37Å; T205-F397 HydrophobicContact CG2-CZ 3.93Å; L394-F397 PolarHBondContact O-N 3.24Å; E395-F397 PolarHBondContact O-N 3.4Å; F397-W402 HydrophobicContact CD1-CH2 4.01Å
398T94.4Very high92.9Very high7 Ų749 Ų494%0.04326%0.26CS..Hα-helixtrans-87.2-7.9178.757.90000113.9M265 R266 A267 S268 W318 L394 E395M265-T398 HydrophobicContact CE-CG2 3.65Å; R266-T398 PolarHBondContact O-OG1 2.86Å; A267-T398 CarbonylContact C-O 3.57Å; A267-T398 VanDerWaalsContact CA-O 3.25Å; A267-T398 WeakPolarHBondContact CA-O 3.27Å; A267-T398 WeakPolarHBondContact CB-O 3.47Å; S268-T398 PolarHBondContact N-O 3.23Å; W318-T398 HydrophobicContact CD2-CG2 4.27Å; W318-T398 HydrophobicContact CH2-CG2 4.21Å; W318-T398 HydrophobicContact CZ2-CG2 3.86Å; L394-T398 HydrophobicContact CB-CG2 4.46Å; L394-T398 PolarHBondContact O-N 3.43Å; L394-T398 PolarHBondContact O-OG1 2.85Å; E395-T398 WeakPolarHBondContact CA-OG1 3.37Å; E395-T398 PolarHBondContact O-N 3.37Å; E395-T398 PolarHBondContact O-OG1 3.4Å
399S94.1Very high93.1Very high34 Ų3448.3 Ų48.324%0.23826%0.257CS..Hα-helixtrans-114.8-8.2-175.9-51.90000114.2E395 Y396E395-S399 WeakPolarHBondContact O-CB 3.4Å; E395-S399 PolarHBondContact O-N 2.92Å; E395-S399 VanDerWaalsContact O-N 3.09Å; E395-S399 PolarHBondContact O-OG 3.12Å; Y396-S399 PolarHBondContact O-N 3.34Å
400H94.6Very high93.5Very high90 Ų9044.9 Ų44.942%0.41725%0.247SC..  trans-122.3166.5-179.6-61.785.9000111Y396 W402Y396-H400 AromaticContact CD2-CE1 3.89Å; Y396-H400 AromaticContact CD2-ND1 3.97Å; Y396-H400 PolarHBondContact O-N 3.25Å; Y396-H400 PolarHBondContact O-ND1 3.1Å; H400-W402 HydrophobicContact CB-CH2 3.55Å; H400-W402 HydrophobicContact CB-CZ2 3.7Å; H400-W402 HydrophobicContact CB-CZ3 4.15Å; H400-W402 WeakPolarHBondContact O-CZ3 3.41Å
401S94.8Very high93.8Very high52 Ų5245.1 Ų45.136%0.36424%0.241SC..  trans-137.5154.3175-58.50000109.3A271 V272A271-S401 WeakPolarHBondContact CA-OG 3.5Å; A271-S401 WeakPolarHBondContact CB-OG 3.45Å; V272-S401 PolarHBondContact N-OG 3Å
402W95.9Very high94.1Very high17 Ų1744.6 Ų44.66%0.06424%0.239CC..  trans-131.7154.2-173.8-66.7-83.2000109.8Y155 C158 R160 I163 Y396 F397 H400 W404Y155-W402 HydrophobicContact CD1-CE3 4.44Å; Y155-W402 HydrophobicContact CD1-CH2 4.49Å; Y155-W402 HydrophobicContact CD1-CZ3 4.4Å; Y155-W402 HydrophobicContact CE1-CD2 4.27Å; Y155-W402 AromaticContact CE1-CE3 3.74Å; Y155-W402 HydrophobicContact CE1-CE3 3.74Å; Y155-W402 HydrophobicContact CE1-CH2 4.17Å; Y155-W402 AromaticContact CE1-CZ3 3.69Å; Y155-W402 HydrophobicContact CE1-CZ3 3.69Å; C158-W402 HydrophobicContact CB-CZ2 4.02Å; C158-W402 PolarHBondContact O-NE1 2.76Å; R160-W402 PolarHBondContact O-NE1 3.31Å; I163-W402 HydrophobicContact CD1-CB 4.04Å; I163-W402 HydrophobicContact CD1-CG 4.09Å; Y396-W402 HydrophobicContact CD1-CH2 4.21Å; Y396-W402 HydrophobicContact CD1-CZ2 4.04Å; Y396-W402 HydrophobicContact CE1-CH2 4.21Å; Y396-W402 AromaticContact CE1-CZ2 3.57Å; Y396-W402 HydrophobicContact CE1-CZ2 3.57Å; F397-W402 HydrophobicContact CD1-CH2 4.01Å; H400-W402 HydrophobicContact CB-CH2 3.55Å; H400-W402 HydrophobicContact CB-CZ2 3.7Å; H400-W402 HydrophobicContact CB-CZ3 4.15Å; H400-W402 WeakPolarHBondContact O-CZ3 3.41Å; W402-W404 HydrophobicContact CB-CD2 4.13Å; W402-W404 VanDerWaalsContact CB-CE2 3.49Å; W402-W404 HydrophobicContact CB-CE3 4.47Å; W402-W404 HydrophobicContact CB-CH2 3.64Å; W402-W404 HydrophobicContact CB-CZ2 3.26Å; W402-W404 HydrophobicContact CB-CZ3 4.23Å; W402-W404 HydrophobicContact CD2-CH2 4.14Å; W402-W404 AromaticContact CD2-CZ2 3.95Å; W402-W404 HydrophobicContact CD2-CZ2 3.95Å; W402-W404 HydrophobicContact CE3-CZ2 4.11Å; W402-W404 AromaticContact CG-CH2 3.67Å; W402-W404 HydrophobicContact CG-CH2 3.67Å; W402-W404 AromaticContact CG-CZ2 3.62Å; W402-W404 HydrophobicContact CG-CZ2 3.62Å; W402-W404 HydrophobicContact CG-CZ3 4.48Å
403V95.9Very high94.5Very high91 Ų9139.6 Ų39.655%0.55221%0.214SC*.EExtended strand (participates in β ladder)trans-106.8119.2169.5-177.60000107.3T161 L162 I163T161-V403 PolarHBondContact O-N 3.23Å; L162-V403 WeakPolarHBondContact CA-O 3.12Å; L162-V403 HydrophobicContact CD1-CB 4.06Å; L162-V403 HydrophobicContact CD1-CG1 3.77Å; I163-V403 PolarHBondContact N-O 2.97Å
404W95.7Very high94.9Very high9 Ų942.7 Ų42.73%0.03423%0.229CC..EExtended strand (participates in β ladder)trans-103122178.9-45.2107000108.7A154 Y155 I163 D274 N307 T309 W402 T406A154-W404 HydrophobicContact CB-CD2 4.44Å; A154-W404 HydrophobicContact CB-CE3 4.07Å; A154-W404 HydrophobicContact CB-CH2 3.94Å; A154-W404 HydrophobicContact CB-CZ2 4.25Å; A154-W404 HydrophobicContact CB-CZ3 3.84Å; A154-W404 WeakPolarHBondContact O-CH2 3.1Å; A154-W404 WeakPolarHBondContact O-CZ3 3.28Å; Y155-W404 HydrophobicContact CD1-CH2 4.04Å; Y155-W404 HydrophobicContact CD1-CZ2 4.3Å; Y155-W404 HydrophobicContact CE1-CH2 4.15Å; Y155-W404 AromaticContact CE1-CZ2 3.93Å; Y155-W404 HydrophobicContact CE1-CZ2 3.93Å; I163-W404 HydrophobicContact CB-CE3 3.63Å; I163-W404 HydrophobicContact CB-CZ3 3.7Å; I163-W404 HydrophobicContact CD1-CE3 3.87Å; I163-W404 HydrophobicContact CD1-CH2 4.02Å; I163-W404 HydrophobicContact CD1-CZ3 3.42Å; I163-W404 VanDerWaalsContact CD1-CZ3 3.42Å; I163-W404 HydrophobicContact CG1-CE3 4Å; I163-W404 HydrophobicContact CG1-CZ3 3.56Å; I163-W404 HydrophobicContact CG2-CE3 4.06Å; I163-W404 HydrophobicContact CG2-CZ3 4.05Å; D274-W404 PolarHBondContact OD1-NE1 2.88Å; D274-W404 PolarHBondContact OD2-NE1 3.42Å; N307-W404 HydrophobicContact CB-CB 4.45Å; T309-W404 HydrophobicContact CG2-CB 4.14Å; T309-W404 HydrophobicContact CG2-CD2 3.92Å; T309-W404 HydrophobicContact CG2-CG 3.7Å; T309-W404 WeakPolarHBondContact OG1-CB 3.31Å; W402-W404 HydrophobicContact CB-CD2 4.13Å; W402-W404 VanDerWaalsContact CB-CE2 3.49Å; W402-W404 HydrophobicContact CB-CE3 4.47Å; W402-W404 HydrophobicContact CB-CH2 3.64Å; W402-W404 HydrophobicContact CB-CZ2 3.26Å; W402-W404 HydrophobicContact CB-CZ3 4.23Å; W402-W404 HydrophobicContact CD2-CH2 4.14Å; W402-W404 AromaticContact CD2-CZ2 3.95Å; W402-W404 HydrophobicContact CD2-CZ2 3.95Å; W402-W404 HydrophobicContact CE3-CZ2 4.11Å; W402-W404 AromaticContact CG-CH2 3.67Å; W402-W404 HydrophobicContact CG-CH2 3.67Å; W402-W404 AromaticContact CG-CZ2 3.62Å; W402-W404 HydrophobicContact CG-CZ2 3.62Å; W402-W404 HydrophobicContact CG-CZ3 4.48Å; W404-T406 HydrophobicContact CB-CG2 4.39Å
405N96.1Very high95.2Very high43 Ų4345.6 Ų45.623%0.2324%0.242CC..  trans-69.4138162.7-175.5-58.8000108.2I163 E165 N307 D407I163-N405 PolarHBondContact O-N 3.27Å; E165-N405 WeakPolarHBondContact CG-O 3.31Å; N307-N405 VanDerWaalsContact CB-O 3.27Å; N307-N405 WeakPolarHBondContact CB-O 3.22Å; N307-N405 PolarHBondContact ND2-O 2.82Å; N405-D407 PolarHBondContact ND2-OD2 3.08Å; N405-D407 WeakPolarHBondContact OD1-CB 3.2Å; N405-D407 PolarHBondContact OD1-N 3.01Å; N405-D407 PolarHBondContact OD1-OD2 3.01Å
406T96.3Very high95.4Very high17 Ų1743.4 Ų43.410%0.10423%0.232CC..  trans-134.530.1-178.459.90000112N307 I313 W404 V409 T410N307-T406 HydrophobicContact CB-CG2 4.39Å; I313-T406 HydrophobicContact CD1-CG2 4.25Å; W404-T406 HydrophobicContact CB-CG2 4.39Å; T406-V409 PolarHBondContact O-N 3.12Å; T406-T410 PolarHBondContact O-N 3.38Å; T406-T410 PolarHBondContact O-OG1 3.24Å
407D95.7Very high95.5Very high105 Ų10542.6 Ų42.656%0.56124%0.241SC*.Hα-helixtrans-65.8-41.9-174.7-68.3-23.2000111.4E165 N405 T410 M411E165-D407 PolarHBondContact OE2-N 2.83Å; E165-D407 VanDerWaalsContact OE2-N 3.12Å; N405-D407 PolarHBondContact ND2-OD2 3.08Å; N405-D407 WeakPolarHBondContact OD1-CB 3.2Å; N405-D407 PolarHBondContact OD1-N 3.01Å; N405-D407 PolarHBondContact OD1-OD2 3.01Å; D407-T410 PolarHBondContact O-N 2.9Å; D407-M411 WeakPolarHBondContact O-CB 3.32Å; D407-M411 PolarHBondContact O-N 3.21Å
408N96.4Very high95.7Very high34 Ų3448 Ų4818%0.18227%0.274CS..Hα-helixtrans-66.9-36.3175.3-65.1-29.2000111.7E165 V305 Y306 T410 M411 L412E165-N408 WeakPolarHBondContact CB-ND2 3.5Å; E165-N408 WeakPolarHBondContact OE2-CA 3.17Å; E165-N408 WeakPolarHBondContact OE2-CB 3.2Å; E165-N408 VanDerWaalsContact OE2-CG 3.31Å; E165-N408 PolarHBondContact OE2-N 3.46Å; E165-N408 PolarHBondContact OE2-ND2 2.8Å; V305-N408 WeakPolarHBondContact O-CB 3.23Å; V305-N408 PolarHBondContact O-ND2 3.27Å; Y306-N408 HydrophobicContact CD1-CB 3.7Å; Y306-N408 HydrophobicContact CE1-CB 3.76Å; Y306-N408 WeakPolarHBondContact CE1-O 3.43Å; N408-T410 VanDerWaalsContact C-N 3.34Å; N408-M411 PolarHBondContact O-N 3.19Å; N408-L412 VanDerWaalsContact O-CB 3.25Å; N408-L412 WeakPolarHBondContact O-CB 3.35Å; N408-L412 PolarHBondContact O-N 2.95Å
409V96.6Very high95.8Very high12 Ų1253.2 Ų53.27%0.07330%0.302CS..Hα-helixtrans-64.2-42.2173.4176.60000110.6Y306 T406 L412 M413 F426Y306-V409 HydrophobicContact CD1-CG2 4.22Å; T406-V409 PolarHBondContact O-N 3.12Å; V409-L412 PolarHBondContact O-N 3.21Å; V409-M413 PolarHBondContact O-N 3.33Å; V409-F426 HydrophobicContact CG1-CD2 4.24Å; V409-F426 HydrophobicContact CG1-CE2 4.15Å
410T96Very high95.9Very high59 Ų5952 Ų5236%0.36229%0.293SS..Hα-helixtrans-66-45177.4-56.40000111.1T406 D407 N408 L412 M413 N414T406-T410 PolarHBondContact O-N 3.38Å; T406-T410 PolarHBondContact O-OG1 3.24Å; D407-T410 PolarHBondContact O-N 2.9Å; N408-T410 VanDerWaalsContact C-N 3.34Å; T410-L412 PolarHBondContact O-N 2.85Å; T410-M413 PolarHBondContact O-N 3.26Å; T410-N414 VanDerWaalsContact O-CG 3.28Å; T410-N414 PolarHBondContact O-N 2.94Å; T410-N414 PolarHBondContact O-ND2 3.04Å
411M95.3Very high96Very high50 Ų5051.6 Ų51.625%0.24629%0.29CS..Hα-helixtrans-55.8-50.5172.8177-148.66600110.5Y291 Y306 D407 N408 M413 N414 Q415Y291-M411 HydrophobicContact CD1-CE 4.14Å; Y291-M411 HydrophobicContact CE1-CE 3.5Å; Y291-M411 HydrophobicContact CE1-SD 4.31Å; Y291-M411 HydrophobicContact CE2-CE 4.49Å; Y306-M411 HydrophobicContact CE1-CE 4.34Å; D407-M411 WeakPolarHBondContact O-CB 3.32Å; D407-M411 PolarHBondContact O-N 3.21Å; N408-M411 PolarHBondContact O-N 3.19Å; M411-M413 VanDerWaalsContact C-N 3.32Å; M411-M413 PolarHBondContact O-N 2.96Å; M411-N414 WeakPolarHBondContact O-CB 3.43Å; M411-N414 PolarHBondContact O-N 3.4Å; M411-N414 VanDerWaalsContact O-N 3.07Å; M411-Q415 VanDerWaalsContact O-CG 3.28Å; M411-Q415 WeakPolarHBondContact O-CG 3.35Å; M411-Q415 PolarHBondContact O-N 3.19Å
412L95.8Very high96.1Very high0 Ų059 Ų590%031%0.31CS..Hα-helixtrans-56.5-46.6-179.3-178.962.6000111.7T284 A287 A288 W290 Y291 Y306 N408 V409 T410 N414 Q415 F426T284-L412 HydrophobicContact CG2-CD2 4.27Å; A287-L412 HydrophobicContact CB-CD1 4.3Å; A287-L412 HydrophobicContact CB-CD2 3.94Å; A287-L412 HydrophobicContact CB-CG 4.16Å; A288-L412 HydrophobicContact CB-CD2 4.02Å; W290-L412 HydrophobicContact CZ3-CD1 4.5Å; Y291-L412 HydrophobicContact CD1-CD1 4.38Å; Y291-L412 HydrophobicContact CD2-CD1 4.26Å; Y291-L412 HydrophobicContact CG-CD1 3.76Å; Y306-L412 HydrophobicContact CD1-CD2 4.17Å; Y306-L412 HydrophobicContact CE1-CB 3.95Å; Y306-L412 HydrophobicContact CE1-CD2 3.93Å; Y306-L412 HydrophobicContact CE1-CG 4.4Å; N408-L412 VanDerWaalsContact O-CB 3.25Å; N408-L412 WeakPolarHBondContact O-CB 3.35Å; N408-L412 PolarHBondContact O-N 2.95Å; V409-L412 PolarHBondContact O-N 3.21Å; T410-L412 PolarHBondContact O-N 2.85Å; L412-N414 VanDerWaalsContact C-N 3.31Å; L412-N414 PolarHBondContact O-N 3.24Å; L412-Q415 PolarHBondContact O-N 3.28Å; L412-F426 HydrophobicContact CD2-CZ 4.04Å; L412-F426 HydrophobicContact CG-CZ 4Å
413M95.9Very high96.1Very high27 Ų2762 Ų6213%0.13333%0.325CS..Hα-helixtrans-61.1-40.1177.1-164.6-176.5-59.800112V409 T410 M411 Q415 M416 K421 F426 D427V409-M413 PolarHBondContact O-N 3.33Å; T410-M413 PolarHBondContact O-N 3.26Å; M411-M413 VanDerWaalsContact C-N 3.32Å; M411-M413 PolarHBondContact O-N 2.96Å; M413-Q415 PolarHBondContact O-N 2.91Å; M413-M416 PolarHBondContact O-N 3.23Å; M413-K421 WeakPolarHBondContact O-CE 3.43Å; M413-K421 PolarHBondContact O-NZ 3.07Å; M413-F426 HydrophobicContact CB-CE2 3.83Å; M413-F426 HydrophobicContact CB-CZ 4.12Å; M413-F426 HydrophobicContact CE-CD2 3.75Å; M413-F426 HydrophobicContact CE-CE2 3.77Å; M413-F426 HydrophobicContact CG-CE2 4.21Å; M413-F426 HydrophobicContact CG-CZ 4.47Å; M413-D427 HydrophobicContact CE-CB 3.76Å; M413-D427 HydrophobicContact SD-CB 3.85Å
414N95.8Very high96.2Very high109 Ų10957.6 Ų57.658%0.58330%0.299SS*.Hα-helixtrans-66.5-25.2-179.9-72-24.3000113.3T410 M411 L412T410-N414 VanDerWaalsContact O-CG 3.28Å; T410-N414 PolarHBondContact O-N 2.94Å; T410-N414 PolarHBondContact O-ND2 3.04Å; M411-N414 WeakPolarHBondContact O-CB 3.43Å; M411-N414 PolarHBondContact O-N 3.4Å; M411-N414 VanDerWaalsContact O-N 3.07Å; L412-N414 VanDerWaalsContact C-N 3.31Å; L412-N414 PolarHBondContact O-N 3.24Å
415Q94.6Very high96.3Very high85 Ų8558.3 Ų58.340%0.39730%0.303SS..Hα-helixtrans-80.7-18.3-179.3-65.8-68.1-2000113.2M1 W290 Y291 M411 L412 M413M1-Q415 HydrophobicContact CE-CB 3.75Å; M1-Q415 HydrophobicContact CE-CG 4.13Å; W290-Q415 HydrophobicContact CH2-CB 4.33Å; W290-Q415 WeakPolarHBondContact CH2-O 3.47Å; W290-Q415 HydrophobicContact CZ3-CB 4.37Å; Y291-Q415 HydrophobicContact CD2-CB 4.07Å; Y291-Q415 HydrophobicContact CD2-CG 4.16Å; Y291-Q415 HydrophobicContact CE2-CB 4Å; Y291-Q415 HydrophobicContact CE2-CG 3.59Å; M411-Q415 VanDerWaalsContact O-CG 3.28Å; M411-Q415 WeakPolarHBondContact O-CG 3.35Å; M411-Q415 PolarHBondContact O-N 3.19Å; L412-Q415 PolarHBondContact O-N 3.28Å; M413-Q415 PolarHBondContact O-N 2.91Å
416M96.1Very high96.4Very high7 Ų756.6 Ų56.63%0.03429%0.294CS..SBendtrans-76.8141-179-65.6165.86800112.2I4 A287 W290 M413 D420 K421 F424 F426I4-M416 HydrophobicContact CD1-CE 3.82Å; A287-M416 HydrophobicContact CB-SD 4.1Å; W290-M416 HydrophobicContact CH2-CG 4.31Å; W290-M416 HydrophobicContact CZ3-CG 3.86Å; M413-M416 PolarHBondContact O-N 3.23Å; M416-D420 HydrophobicContact CB-CB 4.11Å; M416-D420 VanDerWaalsContact CE-C 3.45Å; M416-D420 HydrophobicContact CE-CB 3.95Å; M416-D420 VanDerWaalsContact CE-O 3.24Å; M416-D420 WeakPolarHBondContact CE-O 3.43Å; M416-K421 HydrophobicContact CB-CG 3.77Å; M416-K421 HydrophobicContact CE-CG 4.46Å; M416-K421 WeakPolarHBondContact O-CE 3.47Å; M416-K421 PolarHBondContact O-NZ 2.91Å; M416-F424 HydrophobicContact CE-CB 3.95Å; M416-F426 HydrophobicContact CE-CE1 3.87Å; M416-F426 HydrophobicContact SD-CE1 3.33Å; M416-F426 WeakPolarHBondContact SD-CE1 3.26Å; M416-F426 HydrophobicContact SD-CZ 3.43Å; M416-F426 WeakPolarHBondContact SD-CZ 3.33Å
417G96.6Very high96.4Very high39 Ų3956.6 Ų56.640%0.40229%0.293SS..  trans-66.7168.7168.700000112.4D419 D420 K421G417-D419 PolarHBondContact O-N 3.17Å; G417-D420 PolarHBondContact O-N 3.32Å; G417-K421 WeakPolarHBondContact O-CG 3.46Å; G417-K421 PolarHBondContact O-N 2.81Å
418T96.4Very high96.4Very high120 Ų12051.9 Ų51.974%0.73627%0.268SS*.Hα-helixtrans-60.6-43.6-177.6-54.80000112.6K421 R422T418-K421 PolarHBondContact O-N 3.42Å; T418-R422 PolarHBondContact O-N 2.95Å; T418-R422 VanDerWaalsContact O-N 3.1Å
419D96.4Very high96.4Very high117 Ų11757.5 Ų57.563%0.62629%0.287SS*.Hα-helixtrans-68.9-40179.8-67-36.6000111.9G417 K421 R422 M423G417-D419 PolarHBondContact O-N 3.17Å; D419-K421 PolarHBondContact O-N 2.98Å; D419-R422 WeakPolarHBondContact O-CB 3.39Å; D419-R422 PolarHBondContact O-N 2.74Å; D419-R422 VanDerWaalsContact O-N 3.13Å; D419-M423 WeakPolarHBondContact O-CB 3.42Å; D419-M423 PolarHBondContact O-N 2.96Å
420D97.6Very high96.4Very high8 Ų862 Ų624%0.04331%0.307CS..Hα-helixtrans-62.6-42.4173.8-75-31.7000111.4T3 I4 P5 M416 G417 R422 M423 F424T3-D420 WeakPolarHBondContact CA-OD2 3.49Å; I4-D420 HydrophobicContact CD1-CB 4.09Å; I4-D420 HydrophobicContact CG1-CB 4.3Å; I4-D420 PolarHBondContact N-OD1 3.31Å; I4-D420 VanDerWaalsContact N-OD1 3.13Å; I4-D420 PolarHBondContact N-OD2 3.12Å; I4-D420 VanDerWaalsContact N-OD2 3.15Å; P5-D420 WeakPolarHBondContact CD-OD1 3.32Å; M416-D420 HydrophobicContact CB-CB 4.11Å; M416-D420 VanDerWaalsContact CE-C 3.45Å; M416-D420 HydrophobicContact CE-CB 3.95Å; M416-D420 VanDerWaalsContact CE-O 3.24Å; M416-D420 WeakPolarHBondContact CE-O 3.43Å; G417-D420 PolarHBondContact O-N 3.32Å; D420-R422 PolarHBondContact O-N 3.31Å; D420-M423 PolarHBondContact O-N 2.94Å; D420-F424 WeakPolarHBondContact O-CA 3.39Å; D420-F424 PolarHBondContact O-N 2.82Å
421K97.1Very high96.5Very high83 Ų8359.5 Ų59.536%0.36129%0.292SS..Hα-helixtrans-60.5-32.9174.7-76.6173.2176.3164.80112.1M413 M416 G417 T418 D419 N425M413-K421 WeakPolarHBondContact O-CE 3.43Å; M413-K421 PolarHBondContact O-NZ 3.07Å; M416-K421 HydrophobicContact CB-CG 3.77Å; M416-K421 HydrophobicContact CE-CG 4.46Å; M416-K421 WeakPolarHBondContact O-CE 3.47Å; M416-K421 PolarHBondContact O-NZ 2.91Å; G417-K421 WeakPolarHBondContact O-CG 3.46Å; G417-K421 PolarHBondContact O-N 2.81Å; T418-K421 PolarHBondContact O-N 3.42Å; D419-K421 PolarHBondContact O-N 2.98Å; K421-N425 VanDerWaalsContact O-CA 3.32Å; K421-N425 WeakPolarHBondContact O-CA 3.46Å; K421-N425 VanDerWaalsContact O-CB 3.27Å; K421-N425 WeakPolarHBondContact O-CB 3.38Å; K421-N425 PolarHBondContact O-N 3.09Å
422R96.1Very high96.6Very high206 Ų20661.3 Ų61.378%0.77730%0.302SS*.Hα-helixtrans-74.4-47.2176-164.6-177.9971785.6111.3T418 D419 D420T418-R422 PolarHBondContact O-N 2.95Å; T418-R422 VanDerWaalsContact O-N 3.1Å; D419-R422 WeakPolarHBondContact O-CB 3.39Å; D419-R422 PolarHBondContact O-N 2.74Å; D419-R422 VanDerWaalsContact O-N 3.13Å; D420-R422 PolarHBondContact O-N 3.31Å
423M96.4Very high96.7Very high80 Ų8062.4 Ų62.439%0.39431%0.306SS..Hα-helixtrans-76.6-39.5-173.4-172.6177.6-66.700112.7P5 K29 D419 D420P5-M423 HydrophobicContact CG-SD 4.09Å; K29-M423 PolarHBondContact NZ-O 3.05Å; D419-M423 WeakPolarHBondContact O-CB 3.42Å; D419-M423 PolarHBondContact O-N 2.96Å; D420-M423 PolarHBondContact O-N 2.94Å
424F97.9Very high96.8Very high0 Ų063 Ų630%032%0.315CS..THydrogen-bonded Turntrans-114.749.5-179.2-57.2-86.4000110.1I4 P5 N283 L286 M416 D420 F426I4-F424 HydrophobicContact CB-CD2 3.94Å; I4-F424 HydrophobicContact CB-CE2 3.68Å; I4-F424 HydrophobicContact CB-CZ 4.24Å; I4-F424 HydrophobicContact CD1-CB 4.05Å; I4-F424 HydrophobicContact CD1-CD2 3.66Å; I4-F424 HydrophobicContact CD1-CE2 4.31Å; I4-F424 HydrophobicContact CD1-CG 3.9Å; I4-F424 HydrophobicContact CG1-CD2 4.36Å; I4-F424 HydrophobicContact CG2-CD1 4.42Å; I4-F424 HydrophobicContact CG2-CD2 3.97Å; I4-F424 HydrophobicContact CG2-CE1 4.05Å; I4-F424 HydrophobicContact CG2-CE2 3.56Å; I4-F424 HydrophobicContact CG2-CG 4.39Å; I4-F424 HydrophobicContact CG2-CZ 3.61Å; P5-F424 HydrophobicContact CG-CE2 4.12Å; P5-F424 HydrophobicContact CG-CZ 4.45Å; N283-F424 HydrophobicContact CB-CB 4.22Å; L286-F424 HydrophobicContact CB-CD1 4.3Å; L286-F424 HydrophobicContact CB-CE1 4.44Å; L286-F424 HydrophobicContact CD1-CD1 4.03Å; L286-F424 HydrophobicContact CD1-CE1 3.75Å; M416-F424 HydrophobicContact CE-CB 3.95Å; D420-F424 WeakPolarHBondContact O-CA 3.39Å; D420-F424 PolarHBondContact O-N 2.82Å; F424-F426 WeakPolarHBondContact O-CD1 3.36Å; F424-F426 PolarHBondContact O-N 3.03Å
425N97.3Very high96.9Very high23 Ų2363.1 Ų63.112%0.12331%0.312CS..  trans-67.5123.6-177.8-172.82.3000111.6K237 N283 K421 D427 Q430K237-N425 PolarHBondContact NZ-ND2 3.13Å; K237-N425 VanDerWaalsContact NZ-ND2 3.15Å; N283-N425 PolarHBondContact ND2-N 3.16Å; N283-N425 PolarHBondContact ND2-O 2.91Å; K421-N425 VanDerWaalsContact O-CA 3.32Å; K421-N425 WeakPolarHBondContact O-CA 3.46Å; K421-N425 VanDerWaalsContact O-CB 3.27Å; K421-N425 WeakPolarHBondContact O-CB 3.38Å; K421-N425 PolarHBondContact O-N 3.09Å; N425-D427 WeakPolarHBondContact OD1-CB 3.44Å; N425-D427 PolarHBondContact OD1-N 2.87Å; N425-Q430 PolarHBondContact ND2-OE1 3.27Å
426F97.4Very high97Very high7 Ų759.1 Ų59.13%0.03129%0.294CS..  trans-13022.5170.453.5-97.4000112.5V280 N283 T284 A287 V409 L412 M413 M416 F424 V428V280-F426 HydrophobicContact CG1-CB 3.85Å; N283-F426 HydrophobicContact CB-CB 4.21Å; N283-F426 HydrophobicContact CB-CD1 4.05Å; T284-F426 WeakPolarHBondContact OG1-CB 3.48Å; T284-F426 VanDerWaalsContact OG1-CG 3.25Å; T284-F426 WeakPolarHBondContact OG1-CG 3.47Å; A287-F426 HydrophobicContact CB-CE1 3.6Å; A287-F426 HydrophobicContact CB-CZ 4.19Å; V409-F426 HydrophobicContact CG1-CD2 4.24Å; V409-F426 HydrophobicContact CG1-CE2 4.15Å; L412-F426 HydrophobicContact CD2-CZ 4.04Å; L412-F426 HydrophobicContact CG-CZ 4Å; M413-F426 HydrophobicContact CB-CE2 3.83Å; M413-F426 HydrophobicContact CB-CZ 4.12Å; M413-F426 HydrophobicContact CE-CD2 3.75Å; M413-F426 HydrophobicContact CE-CE2 3.77Å; M413-F426 HydrophobicContact CG-CE2 4.21Å; M413-F426 HydrophobicContact CG-CZ 4.47Å; M416-F426 HydrophobicContact CE-CE1 3.87Å; M416-F426 HydrophobicContact SD-CE1 3.33Å; M416-F426 WeakPolarHBondContact SD-CE1 3.26Å; M416-F426 HydrophobicContact SD-CZ 3.43Å; M416-F426 WeakPolarHBondContact SD-CZ 3.33Å; F424-F426 WeakPolarHBondContact O-CD1 3.36Å; F424-F426 PolarHBondContact O-N 3.03Å; F426-V428 PolarHBondContact O-N 3.29Å
427D97.1Very high97.1Very high17 Ų1758.8 Ų58.89%0.09129%0.292CS..  trans-79.895.5175-173.4-0.5000111.6M413 N425 R429 Q430M413-D427 HydrophobicContact CE-CB 3.76Å; M413-D427 HydrophobicContact SD-CB 3.85Å; N425-D427 WeakPolarHBondContact OD1-CB 3.44Å; N425-D427 PolarHBondContact OD1-N 2.87Å; D427-R429 VanDerWaalsContact CG-NH2 3.27Å; D427-R429 PolarHBondContact O-N 2.94Å; D427-R429 VanDerWaalsContact OD1-CB 3.31Å; D427-R429 WeakPolarHBondContact OD1-CB 3.29Å; D427-R429 WeakPolarHBondContact OD1-CG 3.39Å; D427-R429 IonicContact OD1-CZ 3.47Å; D427-R429 PolarHBondContact OD1-N 3.33Å; D427-R429 VanDerWaalsContact OD1-N 3.11Å; D427-R429 IonicContact OD1-NE 2.77Å; D427-R429 PolarHBondContact OD1-NE 3.31Å; D427-R429 IonicContact OD1-NH2 3.33Å; D427-R429 PolarHBondContact OD1-NH2 3.49Å; D427-R429 IonicContact OD2-CZ 3.49Å; D427-R429 IonicContact OD2-NE 3.35Å; D427-R429 PolarHBondContact OD2-NE 2.93Å; D427-R429 IonicContact OD2-NH2 2.79Å; D427-R429 PolarHBondContact OD2-NH2 3.01Å; D427-Q430 PolarHBondContact O-N 3.44Å; D427-Q430 PolarHBondContact OD2-NE2 2.79Å; D427-Q430 VanDerWaalsContact OD2-NE2 3.15Å
428V96.6Very high97.2Very high7 Ų759.9 Ų59.94%0.04229%0.287CS..G310 helixtrans-70.6-10.3-177.4-59.90000113.9V280 T310 I313 N314 F426 Q430 L431V280-V428 HydrophobicContact CG1-CG1 3.67Å; V280-V428 HydrophobicContact CG2-CG1 4.32Å; T310-V428 HydrophobicContact CG2-CB 3.97Å; T310-V428 HydrophobicContact CG2-CG1 3.84Å; T310-V428 HydrophobicContact CG2-CG2 4.22Å; I313-V428 HydrophobicContact CB-CG2 4.09Å; I313-V428 HydrophobicContact CD1-CG2 4.31Å; I313-V428 HydrophobicContact CG2-CG2 3.93Å; N314-V428 PolarHBondContact ND2-O 3.31Å; F426-V428 PolarHBondContact O-N 3.29Å; V428-Q430 PolarHBondContact O-N 2.79Å; V428-L431 WeakPolarHBondContact O-CB 3.41Å; V428-L431 PolarHBondContact O-N 2.86Å; V428-L431 VanDerWaalsContact O-N 3.13Å
429R96.3Very high97.2Very high152 Ų15256.5 Ų56.557%0.57426%0.264SS*.G310 helixtrans-64.6-24.5173.5-63.3170.1-67-163.51.5112.2I313 D427 L431I313-R429 HydrophobicContact CG2-CG 3.26Å; D427-R429 VanDerWaalsContact CG-NH2 3.27Å; D427-R429 PolarHBondContact O-N 2.94Å; D427-R429 VanDerWaalsContact OD1-CB 3.31Å; D427-R429 WeakPolarHBondContact OD1-CB 3.29Å; D427-R429 WeakPolarHBondContact OD1-CG 3.39Å; D427-R429 IonicContact OD1-CZ 3.47Å; D427-R429 PolarHBondContact OD1-N 3.33Å; D427-R429 VanDerWaalsContact OD1-N 3.11Å; D427-R429 IonicContact OD1-NE 2.77Å; D427-R429 PolarHBondContact OD1-NE 3.31Å; D427-R429 IonicContact OD1-NH2 3.33Å; D427-R429 PolarHBondContact OD1-NH2 3.49Å; D427-R429 IonicContact OD2-CZ 3.49Å; D427-R429 IonicContact OD2-NE 3.35Å; D427-R429 PolarHBondContact OD2-NE 2.93Å; D427-R429 IonicContact OD2-NH2 2.79Å; D427-R429 PolarHBondContact OD2-NH2 3.01Å; R429-L431 VanDerWaalsContact C-N 3.31Å
430Q96.5Very high97.3Very high105 Ų10551 Ų5149%0.49123%0.234SC..G310 helixtrans-83.5-7.2179-63.8169.126.800112.7W236 N425 D427 V428 N432W236-Q430 HydrophobicContact CH2-CB 3.68Å; W236-Q430 HydrophobicContact CZ2-CB 4.34Å; W236-Q430 WeakPolarHBondContact CZ2-O 3.44Å; N425-Q430 PolarHBondContact ND2-OE1 3.27Å; D427-Q430 PolarHBondContact O-N 3.44Å; D427-Q430 PolarHBondContact OD2-NE2 2.79Å; D427-Q430 VanDerWaalsContact OD2-NE2 3.15Å; V428-Q430 PolarHBondContact O-N 2.79Å; Q430-N432 PolarHBondContact O-N 3.49Å
431L97.1Very high97.3Very high8 Ų850.6 Ų50.64%0.04223%0.232CC..  trans-75.7121.6-177.3-179.268.3000111W236 P277 N314 V428 R429 W433 Y436W236-L431 HydrophobicContact CB-CD1 4.15Å; W236-L431 VanDerWaalsContact CD1-CD1 3.44Å; W236-L431 HydrophobicContact CD2-CD1 3.43Å; W236-L431 VanDerWaalsContact CD2-CD1 3.43Å; W236-L431 VanDerWaalsContact CE2-CD1 3.47Å; W236-L431 HydrophobicContact CE3-CD1 4.13Å; W236-L431 HydrophobicContact CG-CD1 3.42Å; W236-L431 VanDerWaalsContact CG-CD1 3.42Å; W236-L431 HydrophobicContact CH2-CB 4.39Å; W236-L431 HydrophobicContact CZ2-CB 4.27Å; W236-L431 HydrophobicContact CZ2-CD1 4.18Å; P277-L431 HydrophobicContact CG-CD1 4.38Å; P277-L431 HydrophobicContact CG-CD2 4.18Å; N314-L431 PolarHBondContact ND2-O 3.08Å; V428-L431 WeakPolarHBondContact O-CB 3.41Å; V428-L431 PolarHBondContact O-N 2.86Å; V428-L431 VanDerWaalsContact O-N 3.13Å; R429-L431 VanDerWaalsContact C-N 3.31Å; L431-W433 HydrophobicContact CD2-CD2 4.25Å; L431-W433 HydrophobicContact CD2-CE3 4.02Å; L431-W433 HydrophobicContact CD2-CH2 3.58Å; L431-W433 HydrophobicContact CD2-CZ2 3.82Å; L431-W433 HydrophobicContact CD2-CZ3 3.68Å; L431-Y436 HydrophobicContact CD1-CD2 3.99Å; L431-Y436 HydrophobicContact CD1-CG 3.97Å
432N98Very high97.2Very high87 Ų8748 Ų4847%0.46522%0.222SC..  trans-89.3113.5168.8-174.3-71.4000110.2Q430 A434 E435 Y436Q430-N432 PolarHBondContact O-N 3.49Å; N432-A434 PolarHBondContact O-N 3.46Å; N432-A434 WeakPolarHBondContact OD1-CB 3.35Å; N432-A434 PolarHBondContact OD1-N 3.23Å; N432-A434 VanDerWaalsContact OD1-N 3.09Å; N432-E435 HydrophobicContact CB-CB 4.23Å; N432-E435 PolarHBondContact O-N 2.67Å; N432-E435 PolarHBondContact OD1-N 2.88Å; N432-Y436 VanDerWaalsContact O-CB 3.27Å; N432-Y436 WeakPolarHBondContact O-CB 3.33Å; N432-Y436 PolarHBondContact O-N 3.35Å
433W97.8Very high97.2Very high23 Ų2338.4 Ų38.49%0.08719%0.187CC..Hα-helixtrans-62.9-37.5-176.5-72.2117.5000114.1L275 T310 N314 F316 L431 Y436 M437L275-W433 HydrophobicContact CB-CH2 4.34Å; L275-W433 HydrophobicContact CB-CZ3 4.21Å; L275-W433 WeakPolarHBondContact O-CH2 3.37Å; T310-W433 HydrophobicContact CG2-CH2 4.12Å; T310-W433 HydrophobicContact CG2-CZ2 4.27Å; N314-W433 VanDerWaalsContact O-CZ2 3.31Å; N314-W433 WeakPolarHBondContact O-CZ2 3.44Å; N314-W433 PolarHBondContact O-NE1 2.98Å; N314-W433 VanDerWaalsContact O-NE1 3.16Å; N314-W433 PolarHBondContact OD1-NE1 2.94Å; N314-W433 VanDerWaalsContact OD1-NE1 3.12Å; F316-W433 HydrophobicContact CB-CD2 3.72Å; F316-W433 VanDerWaalsContact CB-CE2 3.48Å; F316-W433 HydrophobicContact CB-CE3 4.19Å; F316-W433 HydrophobicContact CB-CG 4.12Å; F316-W433 HydrophobicContact CB-CH2 4.23Å; F316-W433 HydrophobicContact CB-CZ2 3.76Å; F316-W433 HydrophobicContact CB-CZ3 4.43Å; F316-W433 AromaticContact CD1-CD2 3.9Å; F316-W433 HydrophobicContact CD1-CD2 3.9Å; F316-W433 AromaticContact CD1-CE3 3.61Å; F316-W433 HydrophobicContact CD1-CE3 3.61Å; F316-W433 HydrophobicContact CD1-CG 4.43Å; F316-W433 HydrophobicContact CD1-CH2 4.48Å; F316-W433 AromaticContact CD1-CZ3 3.94Å; F316-W433 HydrophobicContact CD1-CZ3 3.94Å; F316-W433 HydrophobicContact CD2-CB 3.8Å; F316-W433 AromaticContact CD2-CD1 3.97Å; F316-W433 AromaticContact CD2-CD2 3.93Å; F316-W433 HydrophobicContact CD2-CD2 3.93Å; F316-W433 HydrophobicContact CD2-CE3 4.4Å; F316-W433 AromaticContact CD2-CG 3.62Å; F316-W433 HydrophobicContact CD2-CG 3.62Å; F316-W433 HydrophobicContact CE1-CD2 4.46Å; F316-W433 AromaticContact CE1-CE3 3.99Å; F316-W433 HydrophobicContact CE1-CE3 3.99Å; F316-W433 HydrophobicContact CE2-CB 3.74Å; F316-W433 HydrophobicContact CE2-CG 4.08Å; F316-W433 HydrophobicContact CG-CB 4.38Å; F316-W433 AromaticContact CG-CD2 3.61Å; F316-W433 HydrophobicContact CG-CD2 3.61Å; F316-W433 AromaticContact CG-CE2 3.95Å; F316-W433 AromaticContact CG-CE3 3.85Å; F316-W433 HydrophobicContact CG-CE3 3.85Å; F316-W433 AromaticContact CG-CG 3.84Å; F316-W433 HydrophobicContact CG-CG 3.84Å; F316-W433 HydrophobicContact CG-CZ2 4.46Å; F316-W433 HydrophobicContact CG-CZ3 4.37Å; F316-W433 HydrophobicContact CZ-CB 4.27Å; L431-W433 HydrophobicContact CD2-CD2 4.25Å; L431-W433 HydrophobicContact CD2-CE3 4.02Å; L431-W433 HydrophobicContact CD2-CH2 3.58Å; L431-W433 HydrophobicContact CD2-CZ2 3.82Å; L431-W433 HydrophobicContact CD2-CZ3 3.68Å; W433-Y436 AromaticContact CE3-CD1 3.92Å; W433-Y436 HydrophobicContact CE3-CD1 3.92Å; W433-Y436 AromaticContact CZ3-CD1 3.88Å; W433-Y436 HydrophobicContact CZ3-CD1 3.88Å; W433-Y436 HydrophobicContact CZ3-CE1 4.15Å; W433-Y436 PolarHBondContact O-N 3.45Å; W433-M437 VanDerWaalsContact O-CB 3.3Å; W433-M437 WeakPolarHBondContact O-CB 3.4Å; W433-M437 WeakPolarHBondContact O-CG 3.17Å; W433-M437 PolarHBondContact O-N 2.88Å
434A97.3Very high97.1Very high39 Ų3934.6 Ų34.632%0.32217%0.168SC..Hα-helixtrans-65.3-47.9-178.600000111.3H324 N432 E438H324-A434 VanDerWaalsContact CE1-CB 3.41Å; H324-A434 WeakPolarHBondContact CE1-CB 3.4Å; N432-A434 PolarHBondContact O-N 3.46Å; N432-A434 WeakPolarHBondContact OD1-CB 3.35Å; N432-A434 PolarHBondContact OD1-N 3.23Å; N432-A434 VanDerWaalsContact OD1-N 3.09Å; A434-E438 WeakPolarHBondContact O-CB 3.07Å; A434-E438 PolarHBondContact O-N 3.28Å; A434-E438 VanDerWaalsContact O-N 3.08Å
435E97.7Very high97Very high112 Ų11234.6 Ų34.652%0.52317%0.168SC..Hα-helixtrans-64.9-45.2176.4-173.5-174.5171.200111.3N432 M437 E438 N439N432-E435 HydrophobicContact CB-CB 4.23Å; N432-E435 PolarHBondContact O-N 2.67Å; N432-E435 PolarHBondContact OD1-N 2.88Å; E435-M437 PolarHBondContact O-N 3.45Å; E435-E438 PolarHBondContact O-N 3.42Å; E435-N439 WeakPolarHBondContact O-CB 3.28Å; E435-N439 PolarHBondContact O-N 3.42Å; E435-N439 PolarHBondContact O-ND2 3.32Å
436Y98.1Very high96.8Very high2 Ų237.9 Ų37.91%0.00818%0.181CC..Hα-helixtrans-58.2-47.5178.1176.4-106.8000111.9A234 W236 P277 L431 N432 W433 E438 N439 Y440A234-Y436 PolarHBondContact N-OH 3.49Å; A234-Y436 WeakPolarHBondContact O-CE2 3.48Å; A234-Y436 PolarHBondContact O-OH 2.9Å; W236-Y436 HydrophobicContact CB-CD2 4.08Å; W236-Y436 HydrophobicContact CB-CE2 4.17Å; W236-Y436 HydrophobicContact CG-CD2 4.43Å; P277-Y436 HydrophobicContact CB-CE2 3.97Å; P277-Y436 HydrophobicContact CG-CD2 4.31Å; P277-Y436 HydrophobicContact CG-CE2 3.7Å; L431-Y436 HydrophobicContact CD1-CD2 3.99Å; L431-Y436 HydrophobicContact CD1-CG 3.97Å; N432-Y436 VanDerWaalsContact O-CB 3.27Å; N432-Y436 WeakPolarHBondContact O-CB 3.33Å; N432-Y436 PolarHBondContact O-N 3.35Å; W433-Y436 AromaticContact CE3-CD1 3.92Å; W433-Y436 HydrophobicContact CE3-CD1 3.92Å; W433-Y436 AromaticContact CZ3-CD1 3.88Å; W433-Y436 HydrophobicContact CZ3-CD1 3.88Å; W433-Y436 HydrophobicContact CZ3-CE1 4.15Å; W433-Y436 PolarHBondContact O-N 3.45Å; Y436-E438 PolarHBondContact O-N 2.68Å; Y436-N439 PolarHBondContact O-N 2.86Å; Y436-Y440 HydrophobicContact CE1-CD1 4.05Å; Y436-Y440 VanDerWaalsContact O-CB 3.29Å; Y436-Y440 WeakPolarHBondContact O-CB 3.49Å; Y436-Y440 PolarHBondContact O-N 3.46Å
437M98Very high96.5Very high0 Ų039.6 Ų39.60%019%0.188CC..Hα-helixtrans-68.4-35-179.5-71.3-54.1-57.700112.7F254 L275 F316 V321 H324 V325 W433 E435 Y440 C441F254-M437 HydrophobicContact CD2-CE 4.39Å; F254-M437 HydrophobicContact CE2-CE 3.62Å; F254-M437 HydrophobicContact CZ-CE 3.73Å; L275-M437 HydrophobicContact CD1-SD 4.19Å; F316-M437 HydrophobicContact CE1-CG 3.75Å; F316-M437 HydrophobicContact CE1-SD 3.83Å; F316-M437 HydrophobicContact CZ-CG 3.66Å; F316-M437 HydrophobicContact CZ-SD 4.34Å; V321-M437 HydrophobicContact CG1-CE 4.15Å; H324-M437 HydrophobicContact CB-CB 3.77Å; H324-M437 HydrophobicContact CB-CG 4.22Å; V325-M437 HydrophobicContact CG2-CE 3.53Å; W433-M437 VanDerWaalsContact O-CB 3.3Å; W433-M437 WeakPolarHBondContact O-CB 3.4Å; W433-M437 WeakPolarHBondContact O-CG 3.17Å; W433-M437 PolarHBondContact O-N 2.88Å; E435-M437 PolarHBondContact O-N 3.45Å; M437-Y440 HydrophobicContact SD-CD1 4.5Å; M437-C441 WeakPolarHBondContact O-CB 3.44Å; M437-C441 PolarHBondContact O-N 2.82Å; M437-C441 PolarHBondContact O-SG 2.78Å; M437-C441 VanDerWaalsContact O-SG 3.35Å
438E97.4Very high96.4Very high62 Ų6239.4 Ų39.429%0.2919%0.187SC..Hα-helixtrans-63.1-51.3172.3179.2153.3-163.800111.1T328 R331 A434 E435 Y436 Y440 C441 M442T328-E438 HydrophobicContact CG2-CG 4.2Å; R331-E438 IonicContact CZ-OE2 3.78Å; R331-E438 VanDerWaalsContact NH2-CD 3.29Å; R331-E438 IonicContact NH2-OE1 3.39Å; R331-E438 PolarHBondContact NH2-OE1 2.91Å; R331-E438 IonicContact NH2-OE2 2.72Å; R331-E438 PolarHBondContact NH2-OE2 3.09Å; A434-E438 WeakPolarHBondContact O-CB 3.07Å; A434-E438 PolarHBondContact O-N 3.28Å; A434-E438 VanDerWaalsContact O-N 3.08Å; E435-E438 PolarHBondContact O-N 3.42Å; Y436-E438 PolarHBondContact O-N 2.68Å; E438-Y440 VanDerWaalsContact C-N 3.31Å; E438-Y440 PolarHBondContact O-N 3.29Å; E438-C441 PolarHBondContact O-N 3.19Å; E438-M442 VanDerWaalsContact O-CG 3.31Å; E438-M442 WeakPolarHBondContact O-CG 3.08Å; E438-M442 PolarHBondContact O-N 3.13Å
439N97.6Very high96.3Very high48 Ų4840.9 Ų40.926%0.25720%0.195SC..Hα-helixtrans-60.4-39.4177.1-74.7-28.2000112.1P241 G242 E435 Y436 M442 G443P241-N439 HydrophobicContact CB-CB 4.35Å; G242-N439 WeakPolarHBondContact CA-O 3.42Å; E435-N439 WeakPolarHBondContact O-CB 3.28Å; E435-N439 PolarHBondContact O-N 3.42Å; E435-N439 PolarHBondContact O-ND2 3.32Å; Y436-N439 PolarHBondContact O-N 2.86Å; N439-M442 PolarHBondContact O-N 3.38Å; N439-G443 PolarHBondContact O-N 3.18Å
440Y97.6Very high96.1Very high1 Ų140.1 Ų40.10%0.00420%0.202CC..Hα-helixtrans-62.9-51.2175.2-168.9171.7000110.8A234 I244 P250 S251 F254 Y436 M437 E438 M442 G443 T444A234-Y440 HydrophobicContact CB-CD1 4.17Å; A234-Y440 HydrophobicContact CB-CD2 3.33Å; A234-Y440 HydrophobicContact CB-CE1 4.44Å; A234-Y440 HydrophobicContact CB-CE2 3.71Å; A234-Y440 HydrophobicContact CB-CG 3.63Å; I244-Y440 HydrophobicContact CG1-CE2 4.39Å; I244-Y440 HydrophobicContact CG2-CE2 4.38Å; P250-Y440 WeakPolarHBondContact CG-OH 3.33Å; S251-Y440 PolarHBondContact N-OH 2.88Å; S251-Y440 WeakPolarHBondContact OG-CE2 3.5Å; S251-Y440 PolarHBondContact OG-OH 3.48Å; F254-Y440 HydrophobicContact CD2-CD1 4.44Å; F254-Y440 HydrophobicContact CD2-CE1 4.26Å; F254-Y440 HydrophobicContact CD2-CE2 4.48Å; F254-Y440 AromaticContact CE2-CD1 3.9Å; F254-Y440 HydrophobicContact CE2-CD1 3.9Å; F254-Y440 AromaticContact CE2-CE1 3.67Å; F254-Y440 HydrophobicContact CE2-CE1 3.67Å; Y436-Y440 HydrophobicContact CE1-CD1 4.05Å; Y436-Y440 VanDerWaalsContact O-CB 3.29Å; Y436-Y440 WeakPolarHBondContact O-CB 3.49Å; Y436-Y440 PolarHBondContact O-N 3.46Å; M437-Y440 HydrophobicContact SD-CD1 4.5Å; E438-Y440 VanDerWaalsContact C-N 3.31Å; E438-Y440 PolarHBondContact O-N 3.29Å; Y440-M442 VanDerWaalsContact C-N 3.33Å; Y440-M442 PolarHBondContact O-N 3.13Å; Y440-G443 WeakPolarHBondContact O-CA 3.05Å; Y440-G443 PolarHBondContact O-N 3.1Å; Y440-G443 VanDerWaalsContact O-N 3.09Å; Y440-T444 HydrophobicContact CD2-CG2 3.93Å; Y440-T444 HydrophobicContact CE2-CG2 3.82Å; Y440-T444 PolarHBondContact O-N 3.3Å
441C97.3Very high96Very high0 Ų035.9 Ų35.90%018%0.182CC..Hα-helixtrans-57.7-44.7177.3-74.50000112.2T328 F329 M437 E438 G443 T444 K445T328-C441 HydrophobicContact CG2-CB 3.58Å; F329-C441 HydrophobicContact CE1-CB 3.89Å; F329-C441 HydrophobicContact CE2-CB 4.19Å; F329-C441 HydrophobicContact CZ-CB 3.69Å; M437-C441 WeakPolarHBondContact O-CB 3.44Å; M437-C441 PolarHBondContact O-N 2.82Å; M437-C441 PolarHBondContact O-SG 2.78Å; M437-C441 VanDerWaalsContact O-SG 3.35Å; E438-C441 PolarHBondContact O-N 3.19Å; C441-G443 VanDerWaalsContact C-N 3.31Å; C441-G443 PolarHBondContact O-N 3.45Å; C441-T444 PolarHBondContact O-N 3.23Å; C441-T444 PolarHBondContact O-OG1 2.9Å; C441-K445 PolarHBondContact O-N 3.44Å
442M95.9Very high95.6Very high30 Ų3038 Ų3815%0.14820%0.201CC..Hα-helixtrans-64.6-37.1176.1-64.9-51.8-63.800112T328 N332 E438 N439 Y440 T444 K445 K446 E453T328-M442 HydrophobicContact CG2-SD 4.44Å; N332-M442 HydrophobicContact CB-CE 4.12Å; N332-M442 HydrophobicContact CB-SD 3.44Å; N332-M442 WeakPolarHBondContact CB-SD 3.42Å; E438-M442 VanDerWaalsContact O-CG 3.31Å; E438-M442 WeakPolarHBondContact O-CG 3.08Å; E438-M442 PolarHBondContact O-N 3.13Å; N439-M442 PolarHBondContact O-N 3.38Å; Y440-M442 VanDerWaalsContact C-N 3.33Å; Y440-M442 PolarHBondContact O-N 3.13Å; M442-T444 PolarHBondContact O-N 3.16Å; M442-K445 HydrophobicContact CE-CD 4.27Å; M442-K445 WeakPolarHBondContact O-CB 3.43Å; M442-K445 PolarHBondContact O-N 2.74Å; M442-K446 WeakPolarHBondContact O-CB 3.37Å; M442-K446 PolarHBondContact O-N 2.62Å; M442-E453 VanDerWaalsContact CE-OE1 3.23Å; M442-E453 WeakPolarHBondContact CE-OE1 3.49Å
443G95.4Very high95Very high3 Ų338.2 Ų38.23%0.03120%0.199CC..Hα-helixtrans-55.9-47.8171.100000113.4G242 N439 Y440 C441 K445 K446 Y447G242-G443 WeakPolarHBondContact O-CA 3.38Å; N439-G443 PolarHBondContact O-N 3.18Å; Y440-G443 WeakPolarHBondContact O-CA 3.05Å; Y440-G443 PolarHBondContact O-N 3.1Å; Y440-G443 VanDerWaalsContact O-N 3.09Å; C441-G443 VanDerWaalsContact C-N 3.31Å; C441-G443 PolarHBondContact O-N 3.45Å; G443-K445 VanDerWaalsContact C-N 3.29Å; G443-K445 PolarHBondContact O-N 3.03Å; G443-K446 PolarHBondContact O-N 3.44Å; G443-Y447 WeakPolarHBondContact O-CB 3.48Å; G443-Y447 WeakPolarHBondContact O-CD2 3.48Å; G443-Y447 PolarHBondContact O-N 2.83Å
444T95.8Very high94.7Very high0 Ų042.3 Ų42.30%023%0.231CC..Iπ-helixtrans-62.8-36.4176.865.70000112.5I244 I255 Y440 C441 M442 V448 L449I244-T444 HydrophobicContact CG2-CG2 4.2Å; I255-T444 HydrophobicContact CG1-CG2 4.44Å; Y440-T444 HydrophobicContact CD2-CG2 3.93Å; Y440-T444 HydrophobicContact CE2-CG2 3.82Å; Y440-T444 PolarHBondContact O-N 3.3Å; C441-T444 PolarHBondContact O-N 3.23Å; C441-T444 PolarHBondContact O-OG1 2.9Å; M442-T444 PolarHBondContact O-N 3.16Å; T444-V448 WeakPolarHBondContact O-CB 3.17Å; T444-V448 PolarHBondContact O-N 3.35Å; T444-L449 PolarHBondContact O-N 2.88Å
445K94.6Very high94.4Very high0 Ų041 Ų410%022%0.222CC..Iπ-helixtrans-62.6-51.9174.1-178.4-178.4173.472.90110.9P333 L334 C441 M442 G443 L449 N450 E451 L456P333-K445 PolarHBondContact O-NZ 2.82Å; P333-K445 VanDerWaalsContact O-NZ 3.17Å; L334-K445 HydrophobicContact CD2-CB 3.68Å; L334-K445 HydrophobicContact CD2-CD 4.32Å; L334-K445 HydrophobicContact CD2-CG 3.84Å; C441-K445 PolarHBondContact O-N 3.44Å; M442-K445 HydrophobicContact CE-CD 4.27Å; M442-K445 WeakPolarHBondContact O-CB 3.43Å; M442-K445 PolarHBondContact O-N 2.74Å; G443-K445 VanDerWaalsContact C-N 3.29Å; G443-K445 PolarHBondContact O-N 3.03Å; K445-L449 WeakPolarHBondContact O-CB 3.34Å; K445-N450 PolarHBondContact O-N 2.99Å; K445-E451 HydrophobicContact CG-CB 3.71Å; K445-E451 IonicContact NZ-OE2 3.33Å; K445-E451 PolarHBondContact NZ-OE2 3.48Å; K445-E451 PolarHBondContact O-N 3.33Å; K445-L456 HydrophobicContact CD-CD2 4.26Å
446K93.5Very high94.1Very high92 Ų9236.5 Ų36.540%0.420%0.201SC..Iπ-helixtrans-74.4-46.2-171.7-175175.8173.7-167.50113.6M442 G443 N450M442-K446 WeakPolarHBondContact O-CB 3.37Å; M442-K446 PolarHBondContact O-N 2.62Å; G443-K446 PolarHBondContact O-N 3.44Å; K446-N450 WeakPolarHBondContact O-CA 3.49Å
447Y92.1Very high94Very high43 Ų4340.7 Ų40.717%0.16923%0.228CC..Iπ-helixtrans-103.3-26.6-167.2-55.4-59.1000113.9K63 F240 I244 G443K63-Y447 HydrophobicContact CD-CE1 4.39Å; F240-Y447 HydrophobicContact CD2-CE2 4.31Å; F240-Y447 WeakPolarHBondContact CD2-OH 3.24Å; F240-Y447 AromaticContact CE2-CE1 3.91Å; F240-Y447 HydrophobicContact CE2-CE1 3.91Å; F240-Y447 AromaticContact CE2-CE2 3.74Å; F240-Y447 HydrophobicContact CE2-CE2 3.74Å; F240-Y447 AromaticContact CE2-CZ 3.32Å; F240-Y447 WeakPolarHBondContact CE2-OH 3.23Å; F240-Y447 HydrophobicContact CZ-CE1 4.33Å; I244-Y447 WeakPolarHBondContact O-CB 3.39Å; G443-Y447 WeakPolarHBondContact O-CB 3.48Å; G443-Y447 WeakPolarHBondContact O-CD2 3.48Å; G443-Y447 PolarHBondContact O-N 2.83Å
448V93.9Very high93.8Very high13 Ų1343.9 Ų43.98%0.07926%0.255CS..Iπ-helixtrans-98.2-41.4-178.6177.70000111.1I244 F247 I255 T444I244-V448 HydrophobicContact CG1-CG2 4.28Å; I244-V448 HydrophobicContact CG2-CG2 3.88Å; F247-V448 HydrophobicContact CD1-CG1 3.7Å; F247-V448 HydrophobicContact CD2-CG1 3.72Å; F247-V448 HydrophobicContact CE1-CG1 3.43Å; F247-V448 VanDerWaalsContact CE1-CG1 3.43Å; F247-V448 HydrophobicContact CE2-CG1 3.43Å; F247-V448 VanDerWaalsContact CE2-CG1 3.43Å; F247-V448 HydrophobicContact CG-CG1 3.84Å; F247-V448 HydrophobicContact CZ-CG1 3.29Å; I255-V448 HydrophobicContact CD1-CB 4.23Å; I255-V448 HydrophobicContact CD1-CG1 3.65Å; T444-V448 WeakPolarHBondContact O-CB 3.17Å; T444-V448 PolarHBondContact O-N 3.35Å
449L94.5Very high93.7Very high39 Ų3941.1 Ų41.120%0.20424%0.243CC..SBendtrans-92.5-9.3177-62.7174000113.6F247 I255 L334 T444 K445 E451F247-L449 HydrophobicContact CE1-CD2 4.09Å; F247-L449 HydrophobicContact CZ-CD2 4.21Å; I255-L449 HydrophobicContact CD1-CD1 4.4Å; I255-L449 HydrophobicContact CD1-CD2 4.27Å; I255-L449 HydrophobicContact CD1-CG 4.12Å; I255-L449 HydrophobicContact CG1-CD1 4.2Å; I255-L449 HydrophobicContact CG1-CG 4.46Å; I255-L449 HydrophobicContact CG2-CD1 4.04Å; I255-L449 HydrophobicContact CG2-CD2 4.08Å; I255-L449 HydrophobicContact CG2-CG 4.47Å; L334-L449 HydrophobicContact CD1-CD1 3.8Å; L334-L449 HydrophobicContact CD2-CD1 3.72Å; L334-L449 HydrophobicContact CG-CD1 4.24Å; T444-L449 PolarHBondContact O-N 2.88Å; K445-L449 WeakPolarHBondContact O-CB 3.34Å; L449-E451 HydrophobicContact CB-CG 3.86Å; L449-E451 PolarHBondContact O-N 2.89Å
450N93.1Very high93.6Very high136 Ų13644.4 Ų44.473%0.72725%0.251SS*.  trans53.532.7-176.1-58.9-56.6000113K445 K446K445-N450 PolarHBondContact O-N 2.99Å; K446-N450 WeakPolarHBondContact O-CA 3.49Å
451E93.5Very high93.5Very high16 Ų1652.2 Ų52.28%0.07529%0.285CS..  trans-87.5125178.5-67.3177.7-169.200109.5K259 L334 E335 K445 L449K259-E451 IonicContact NZ-OE1 3.64Å; K259-E451 PolarHBondContact NZ-OE1 3.03Å; K259-E451 VanDerWaalsContact NZ-OE1 3.14Å; L334-E451 WeakPolarHBondContact CA-OE2 3.47Å; E335-E451 HydrophobicContact CB-CG 4.19Å; E335-E451 HydrophobicContact CG-CB 4.46Å; E335-E451 HydrophobicContact CG-CG 4.09Å; E335-E451 VanDerWaalsContact N-CD 3.32Å; E335-E451 PolarHBondContact N-OE1 3.29Å; E335-E451 PolarHBondContact N-OE2 3.26Å; K445-E451 HydrophobicContact CG-CB 3.71Å; K445-E451 IonicContact NZ-OE2 3.33Å; K445-E451 PolarHBondContact NZ-OE2 3.48Å; K445-E451 PolarHBondContact O-N 3.33Å; L449-E451 HydrophobicContact CB-CG 3.86Å; L449-E451 PolarHBondContact O-N 2.89Å
452A89.3Confident93.5Very high53 Ų5355.2 Ų55.244%0.43830%0.299SS..  trans-76.7151.2179.400000111.9S454 G455A452-S454 PolarHBondContact O-N 3.29Å; A452-G455 PolarHBondContact O-N 3.14Å
453E85.8Confident93.4Very high91 Ų9154 Ų5443%0.42529%0.294SS..G310 helixtrans-60-31.6174.9-69.7-61.2145.900112.3M442 G455 L456M442-E453 VanDerWaalsContact CE-OE1 3.23Å; M442-E453 WeakPolarHBondContact CE-OE1 3.49Å; E453-G455 PolarHBondContact O-N 3.02Å; E453-G455 VanDerWaalsContact O-N 3.15Å; E453-L456 WeakPolarHBondContact O-CB 3.35Å; E453-L456 WeakPolarHBondContact O-CG 3.26Å; E453-L456 PolarHBondContact O-N 3.08Å; E453-L456 VanDerWaalsContact O-N 3.07Å; E453-L456 WeakPolarHBondContact OE2-CD1 3.45Å
454S90.3Very high93.4Very high108 Ų10857 Ų5776%0.75531%0.309SS*.G310 helixtrans-61.5-20.5175.256.60000113.6A452 L456 P457A452-S454 PolarHBondContact O-N 3.29Å; S454-L456 VanDerWaalsContact C-N 3.33Å; S454-P457 WeakPolarHBondContact O-CD 3.41Å
455G90.8Very high93.4Very high12 Ų1263.6 Ų63.612%0.12434%0.337CS..G310 helixtrans-77.8-12.2175.800000114.5A452 E453 A458 A459A452-G455 PolarHBondContact O-N 3.14Å; E453-G455 PolarHBondContact O-N 3.02Å; E453-G455 VanDerWaalsContact O-N 3.15Å; G455-A458 PolarHBondContact O-N 2.9Å; G455-A459 PolarHBondContact O-N 2.95Å
456L92.3Very high93.4Very high17 Ų1765.1 Ų65.19%0.08935%0.345CS..Hα-helixtrans-58-43.4-176-77.9179.4000114.8N332 K445 E453 S454 A458 A459 R460N332-L456 HydrophobicContact CB-CD2 4.32Å; K445-L456 HydrophobicContact CD-CD2 4.26Å; E453-L456 WeakPolarHBondContact O-CB 3.35Å; E453-L456 WeakPolarHBondContact O-CG 3.26Å; E453-L456 PolarHBondContact O-N 3.08Å; E453-L456 VanDerWaalsContact O-N 3.07Å; E453-L456 WeakPolarHBondContact OE2-CD1 3.45Å; S454-L456 VanDerWaalsContact C-N 3.33Å; L456-A458 VanDerWaalsContact C-N 3.31Å; L456-A458 PolarHBondContact O-N 3.26Å; L456-A459 PolarHBondContact O-N 3.27Å; L456-R460 WeakPolarHBondContact O-CG 3.31Å; L456-R460 PolarHBondContact O-N 3.47Å
457P94.9Very high93.4Very high90 Ų9064.9 Ų64.958%0.58434%0.342SS*.Hα-helixtrans-59.4-41.6177.8-24.735.7000112.5S454 R460 K461S454-P457 WeakPolarHBondContact O-CD 3.41Å; P457-R460 PolarHBondContact O-N 3.22Å; P457-K461 PolarHBondContact O-N 3.44Å
458A95.3Very high93.6Very high67 Ų6766.7 Ų66.755%0.55436%0.355SS*.Hα-helixtrans-66.6-43.6176.900000111.5G455 L456 R460 K461 H462G455-A458 PolarHBondContact O-N 2.9Å; L456-A458 VanDerWaalsContact C-N 3.31Å; L456-A458 PolarHBondContact O-N 3.26Å; A458-R460 PolarHBondContact O-N 2.91Å; A458-K461 PolarHBondContact O-N 2.91Å; A458-H462 PolarHBondContact O-N 3.37Å
459A95.1Very high93.5Very high4 Ų470.5 Ų70.53%0.03337%0.374CS..Hα-helixtrans-61.3-41.417600000112.2P333 E335 G455 L456 H462 L463P333-A459 HydrophobicContact CB-CB 4.29Å; P333-A459 HydrophobicContact CG-CB 3.87Å; E335-A459 HydrophobicContact CG-CB 4.26Å; G455-A459 PolarHBondContact O-N 2.95Å; L456-A459 PolarHBondContact O-N 3.27Å; A459-H462 WeakPolarHBondContact O-CB 3.36Å; A459-H462 PolarHBondContact O-N 3.32Å; A459-L463 PolarHBondContact O-N 2.95Å
460R95.4Very high93.3Very high117 Ų11775 Ų7544%0.44239%0.388SS..Hα-helixtrans-62.9-43174.2-73.3177.1178.5166.15.5111.9R331 N332 P333 L456 P457 A458 H462 L463 N464R331-R460 PolarHBondContact O-NE 2.88Å; R331-R460 PolarHBondContact O-NH2 3.45Å; R331-R460 VanDerWaalsContact O-NH2 3.15Å; N332-R460 PolarHBondContact OD1-NH2 3.34Å; P333-R460 HydrophobicContact CG-CB 4.38Å; P333-R460 HydrophobicContact CG-CG 3.69Å; L456-R460 WeakPolarHBondContact O-CG 3.31Å; L456-R460 PolarHBondContact O-N 3.47Å; P457-R460 PolarHBondContact O-N 3.22Å; A458-R460 PolarHBondContact O-N 2.91Å; R460-H462 VanDerWaalsContact C-N 3.35Å; R460-H462 PolarHBondContact O-N 3.35Å; R460-L463 PolarHBondContact O-N 3.34Å; R460-N464 PolarHBondContact O-N 3.49Å
461K95.7Very high93.3Very high165 Ų16574.8 Ų74.872%0.71738%0.378SS*.Hα-helixtrans-61.1-43175.3-171177.4-1781780111.6P457 A458 N464 K465P457-K461 PolarHBondContact O-N 3.44Å; A458-K461 PolarHBondContact O-N 2.91Å; K461-N464 PolarHBondContact O-N 2.95Å; K461-K465 PolarHBondContact O-N 3.37Å
462H95.9Very high93.3Very high63 Ų6378.3 Ų78.329%0.29240%0.4SS..Hα-helixtrans-60.6-44.2174.1-179.960.3000111.9A337 A458 A459 R460 N464 K465 L466A337-H462 PolarHBondContact O-NE2 3.3Å; A458-H462 PolarHBondContact O-N 3.37Å; A459-H462 WeakPolarHBondContact O-CB 3.36Å; A459-H462 PolarHBondContact O-N 3.32Å; R460-H462 VanDerWaalsContact C-N 3.35Å; R460-H462 PolarHBondContact O-N 3.35Å; H462-N464 VanDerWaalsContact C-N 3.32Å; H462-N464 PolarHBondContact O-N 3.26Å; H462-K465 WeakPolarHBondContact O-CB 3.43Å; H462-K465 PolarHBondContact O-N 3.06Å; H462-L466 WeakPolarHBondContact O-CG 3.41Å; H462-L466 PolarHBondContact O-N 3.22Å
463L94.9Very high93.4Very high5 Ų582.1 Ų82.13%0.02641%0.407CS..Hα-helixtrans-63.5-37.2177.6-144.479.8000112.9P333 A337 R340 A459 R460 L466 R467P333-L463 HydrophobicContact CB-CD1 4.11Å; P333-L463 HydrophobicContact CB-CD2 4.19Å; A337-L463 HydrophobicContact CB-CD1 4.2Å; R340-L463 HydrophobicContact CG-CD1 4.42Å; R340-L463 HydrophobicContact CG-CG 4.11Å; A459-L463 PolarHBondContact O-N 2.95Å; R460-L463 PolarHBondContact O-N 3.34Å; L463-L466 PolarHBondContact O-N 3.47Å; L463-R467 PolarHBondContact O-N 2.93Å
464N94.8Very high93.6Very high67 Ų6780.9 Ų80.936%0.35840%0.404SS..Hα-helixtrans-67.3-39.4173.7-74.5-23.4000111.7R460 K461 H462 R467 N468R460-N464 PolarHBondContact O-N 3.49Å; K461-N464 PolarHBondContact O-N 2.95Å; H462-N464 VanDerWaalsContact C-N 3.32Å; H462-N464 PolarHBondContact O-N 3.26Å; N464-R467 WeakPolarHBondContact O-CB 3.27Å; N464-R467 PolarHBondContact O-N 3.38Å; N464-N468 VanDerWaalsContact O-CG 3.23Å; N464-N468 PolarHBondContact O-N 2.76Å; N464-N468 PolarHBondContact O-OD1 2.91Å
465K95.8Very high93.8Very high137 Ų13779.8 Ų79.860%0.59639%0.393SS*.Hα-helixtrans-59.2-47.4172-177.1-179178.4179.50110.9K461 H462 R467 N468 I469K461-K465 PolarHBondContact O-N 3.37Å; H462-K465 WeakPolarHBondContact O-CB 3.43Å; H462-K465 PolarHBondContact O-N 3.06Å; K465-R467 VanDerWaalsContact C-N 3.31Å; K465-R467 PolarHBondContact O-N 2.9Å; K465-N468 PolarHBondContact O-N 2.95Å; K465-I469 HydrophobicContact CG-CD1 4.01Å; K465-I469 WeakPolarHBondContact O-CG1 3.26Å; K465-I469 PolarHBondContact O-N 3.2Å
466L94.4Very high94Very high32 Ų3283.6 Ų83.617%0.16841%0.413CS..Hα-helixtrans-61.8-37.2176.2-68.7174.6000112.7A337 R340 H462 L463 R470A337-L466 WeakPolarHBondContact O-CD1 3.27Å; R340-L466 HydrophobicContact CG-CB 4.05Å; H462-L466 WeakPolarHBondContact O-CG 3.41Å; H462-L466 PolarHBondContact O-N 3.22Å; L463-L466 PolarHBondContact O-N 3.47Å; L466-R470 PolarHBondContact O-N 3.27Å
467R94.4Very high94Very high87 Ų8786.4 Ų86.433%0.32843%0.428SS..Hα-helixtrans-59.5-50.1172.9-175.6-173.366.4-172.4-2.9110.7L463 N464 K465 R470 Y471L463-R467 PolarHBondContact O-N 2.93Å; N464-R467 WeakPolarHBondContact O-CB 3.27Å; N464-R467 PolarHBondContact O-N 3.38Å; K465-R467 VanDerWaalsContact C-N 3.31Å; K465-R467 PolarHBondContact O-N 2.9Å; R467-R470 PolarHBondContact O-N 3.33Å; R467-Y471 HydrophobicContact CG-CD2 3.86Å; R467-Y471 HydrophobicContact CG-CE2 3.37Å; R467-Y471 PolarHBondContact O-N 2.91Å
468N94.9Very high93.9Very high81 Ų8186.6 Ų86.643%0.43343%0.427SS..Hα-helixtrans-64.5-43.5-177.9-64.3-1.5000110.7N464 K465 R470 Y471 T472N464-N468 VanDerWaalsContact O-CG 3.23Å; N464-N468 PolarHBondContact O-N 2.76Å; N464-N468 PolarHBondContact O-OD1 2.91Å; K465-N468 PolarHBondContact O-N 2.95Å; N468-R470 VanDerWaalsContact C-N 3.31Å; N468-R470 PolarHBondContact O-N 2.91Å; N468-Y471 PolarHBondContact O-N 2.98Å; N468-Y471 VanDerWaalsContact O-N 3.16Å; N468-T472 WeakPolarHBondContact O-CB 3.34Å; N468-T472 PolarHBondContact O-N 3.06Å; N468-T472 PolarHBondContact O-OG1 3.36Å
469I92.7Very high93.8Very high93 Ų9387.1 Ų87.148%0.47742%0.424SS..Hα-helixtrans-54.9-46.9173.7-69.8166.3000111K465 T472 F473K465-I469 HydrophobicContact CG-CD1 4.01Å; K465-I469 WeakPolarHBondContact O-CG1 3.26Å; K465-I469 PolarHBondContact O-N 3.2Å; I469-T472 PolarHBondContact O-N 2.81Å; I469-F473 WeakPolarHBondContact O-CB 3.46Å; I469-F473 PolarHBondContact O-N 3.42Å
470R89.9Confident93.7Very high133 Ų13393.2 Ų93.250%0.50245%0.45SS..Hα-helixtrans-62.6-44.5177.9-180179.8175.5-175.3-2111.9L466 R467 N468 F473 N474L466-R470 PolarHBondContact O-N 3.27Å; R467-R470 PolarHBondContact O-N 3.33Å; N468-R470 VanDerWaalsContact C-N 3.31Å; N468-R470 PolarHBondContact O-N 2.91Å; R470-F473 PolarHBondContact O-N 3.04Å; R470-N474 WeakPolarHBondContact O-CB 3.22Å; R470-N474 VanDerWaalsContact O-CG 3.3Å; R470-N474 PolarHBondContact O-N 3.38Å; R470-N474 PolarHBondContact O-OD1 2.89Å
471Y93.3Very high93.5Very high133 Ų13392.4 Ų92.452%0.52245%0.453SS..Hα-helixtrans-65.2-42.6178.5-69-29.3000111.9R467 N468 N474 T475R467-Y471 HydrophobicContact CG-CD2 3.86Å; R467-Y471 HydrophobicContact CG-CE2 3.37Å; R467-Y471 PolarHBondContact O-N 2.91Å; N468-Y471 PolarHBondContact O-N 2.98Å; N468-Y471 VanDerWaalsContact O-N 3.16Å; Y471-N474 PolarHBondContact O-N 3.38Å; Y471-T475 VanDerWaalsContact O-CB 3.28Å; Y471-T475 WeakPolarHBondContact O-CB 3.46Å; Y471-T475 PolarHBondContact O-N 2.91Å; Y471-T475 PolarHBondContact O-OG1 3.43Å
472T94.1Very high93.2Very high89 Ų8988.5 Ų88.555%0.54643%0.434SS..Hα-helixtrans-60.2-49.9174.2-57.10000110.8N468 I469 N474 T475 V476N468-T472 WeakPolarHBondContact O-CB 3.34Å; N468-T472 PolarHBondContact O-N 3.06Å; N468-T472 PolarHBondContact O-OG1 3.36Å; I469-T472 PolarHBondContact O-N 2.81Å; T472-N474 PolarHBondContact O-N 3.31Å; T472-T475 PolarHBondContact O-N 3.36Å; T472-V476 HydrophobicContact CG2-CG2 4.41Å; T472-V476 WeakPolarHBondContact O-CB 3.25Å; T472-V476 VanDerWaalsContact O-CG2 3.31Å; T472-V476 WeakPolarHBondContact O-CG2 3.31Å; T472-V476 PolarHBondContact O-N 3.4Å
473F91.1Very high92.9Very high133 Ų13394.6 Ų94.658%0.58345%0.454SS*.Hα-helixtrans-58.1-49.3178.3177.8-95.4000112I469 R470 T475 V476 L477I469-F473 WeakPolarHBondContact O-CB 3.46Å; I469-F473 PolarHBondContact O-N 3.42Å; R470-F473 PolarHBondContact O-N 3.04Å; F473-T475 VanDerWaalsContact C-N 3.33Å; F473-T475 PolarHBondContact O-N 3.45Å; F473-V476 PolarHBondContact O-N 2.89Å; F473-L477 HydrophobicContact CE1-CD2 4.25Å; F473-L477 WeakPolarHBondContact O-CB 3.49Å; F473-L477 PolarHBondContact O-N 3.46Å
474N90.6Very high92.7Very high66 Ų6697.7 Ų97.735%0.35347%0.473SS..Hα-helixtrans-62.4-40.7178.6-76.45.3000111.9R470 Y471 T472 L477 V478R470-N474 WeakPolarHBondContact O-CB 3.22Å; R470-N474 VanDerWaalsContact O-CG 3.3Å; R470-N474 PolarHBondContact O-N 3.38Å; R470-N474 PolarHBondContact O-OD1 2.89Å; Y471-N474 PolarHBondContact O-N 3.38Å; T472-N474 PolarHBondContact O-N 3.31Å; N474-L477 PolarHBondContact O-N 3.31Å; N474-V478 WeakPolarHBondContact O-CB 3.5Å; N474-V478 VanDerWaalsContact O-CG2 3.26Å; N474-V478 WeakPolarHBondContact O-CG2 3.39Å; N474-V478 PolarHBondContact O-N 2.97Å
475T93.5Very high92.5Very high85 Ų8598.5 Ų98.552%0.52147%0.474SS..Hα-helixtrans-64.7-46.8178.2-56.10000110.6Y471 T472 F473 L477 V478 V479Y471-T475 VanDerWaalsContact O-CB 3.28Å; Y471-T475 WeakPolarHBondContact O-CB 3.46Å; Y471-T475 PolarHBondContact O-N 2.91Å; Y471-T475 PolarHBondContact O-OG1 3.43Å; T472-T475 PolarHBondContact O-N 3.36Å; F473-T475 VanDerWaalsContact C-N 3.33Å; F473-T475 PolarHBondContact O-N 3.45Å; T475-L477 VanDerWaalsContact C-N 3.33Å; T475-L477 PolarHBondContact O-N 3.26Å; T475-V478 PolarHBondContact O-N 2.84Å; T475-V479 HydrophobicContact CG2-CG2 4.49Å; T475-V479 WeakPolarHBondContact O-CB 3.31Å; T475-V479 VanDerWaalsContact O-CG2 3.27Å; T475-V479 WeakPolarHBondContact O-CG2 3.49Å; T475-V479 PolarHBondContact O-N 3.43Å
476V94.6Very high92.4Very high92 Ų9293.4 Ų93.456%0.55845%0.452SS*.Hα-helixtrans-60.3-43.7176.1170.70000111T472 F473 V479 F480T472-V476 HydrophobicContact CG2-CG2 4.41Å; T472-V476 WeakPolarHBondContact O-CB 3.25Å; T472-V476 VanDerWaalsContact O-CG2 3.31Å; T472-V476 WeakPolarHBondContact O-CG2 3.31Å; T472-V476 PolarHBondContact O-N 3.4Å; F473-V476 PolarHBondContact O-N 2.89Å; V476-V479 PolarHBondContact O-N 2.99Å; V476-F480 WeakPolarHBondContact O-CB 3.47Å; V476-F480 PolarHBondContact O-N 2.89Å
477L92.3Very high92.1Very high75 Ų7595.2 Ų95.239%0.39347%0.472SS..Hα-helixtrans-62.8-45.6178-176.265.6000111.8F473 N474 T475 F480 I481F473-L477 HydrophobicContact CE1-CD2 4.25Å; F473-L477 WeakPolarHBondContact O-CB 3.49Å; F473-L477 PolarHBondContact O-N 3.46Å; N474-L477 PolarHBondContact O-N 3.31Å; T475-L477 VanDerWaalsContact C-N 3.33Å; T475-L477 PolarHBondContact O-N 3.26Å; L477-F480 PolarHBondContact O-N 3.4Å; L477-I481 HydrophobicContact CD1-CD1 4.17Å; L477-I481 HydrophobicContact CD1-CG1 4.46Å; L477-I481 HydrophobicContact CG-CD1 3.91Å; L477-I481 WeakPolarHBondContact O-CB 3.32Å; L477-I481 VanDerWaalsContact O-CG1 3.29Å; L477-I481 WeakPolarHBondContact O-CG1 3.27Å; L477-I481 PolarHBondContact O-N 3.4Å
478V93.1Very high91.9Very high95 Ų95101.8 Ų101.858%0.57650%0.497SS*.Hα-helixtrans-61.7-45.8176.4168.40000110.8N474 T475 F480 I481 W482N474-V478 WeakPolarHBondContact O-CB 3.5Å; N474-V478 VanDerWaalsContact O-CG2 3.26Å; N474-V478 WeakPolarHBondContact O-CG2 3.39Å; N474-V478 PolarHBondContact O-N 2.97Å; T475-V478 PolarHBondContact O-N 2.84Å; V478-F480 VanDerWaalsContact C-N 3.32Å; V478-F480 PolarHBondContact O-N 3.14Å; V478-I481 PolarHBondContact O-N 3.17Å; V478-W482 WeakPolarHBondContact O-CB 3.32Å; V478-W482 PolarHBondContact O-N 2.8Å
479V92.4Very high91.7Very high78 Ų7899.3 Ų99.347%0.47349%0.486SS..Hα-helixtrans-61.1-41.9176.9169.70000111.1T475 V476 W482 R483T475-V479 HydrophobicContact CG2-CG2 4.49Å; T475-V479 WeakPolarHBondContact O-CB 3.31Å; T475-V479 VanDerWaalsContact O-CG2 3.27Å; T475-V479 WeakPolarHBondContact O-CG2 3.49Å; T475-V479 PolarHBondContact O-N 3.43Å; V476-V479 PolarHBondContact O-N 2.99Å; V479-W482 PolarHBondContact O-N 3.49Å; V479-R483 WeakPolarHBondContact O-CB 3.47Å; V479-R483 WeakPolarHBondContact O-CG 3.46Å; V479-R483 PolarHBondContact O-N 2.82Å
480F93.6Very high91.5Very high132 Ų132100.1 Ų100.158%0.57949%0.488SS*.Hα-helixtrans-64.6-49.8177.8179.3-98.6000112V476 L477 V478 W482 R483 V484V476-F480 WeakPolarHBondContact O-CB 3.47Å; V476-F480 PolarHBondContact O-N 2.89Å; L477-F480 PolarHBondContact O-N 3.4Å; V478-F480 VanDerWaalsContact C-N 3.32Å; V478-F480 PolarHBondContact O-N 3.14Å; F480-W482 VanDerWaalsContact C-N 3.3Å; F480-W482 PolarHBondContact O-N 3.21Å; F480-R483 PolarHBondContact O-N 2.97Å; F480-V484 HydrophobicContact CD1-CG2 4.45Å; F480-V484 HydrophobicContact CE1-CG2 4.05Å; F480-V484 HydrophobicContact CE2-CG2 4.4Å; F480-V484 HydrophobicContact CZ-CG2 4.02Å; F480-V484 WeakPolarHBondContact O-CG2 3.05Å; F480-V484 PolarHBondContact O-N 3.48Å
481I91.5Very high91.4Very high99 Ų9999.7 Ų99.751%0.50849%0.493SS..Hα-helixtrans-58.3-45.2176.4-69.2168.2000110.3L477 V478 R483 V484 F485L477-I481 HydrophobicContact CD1-CD1 4.17Å; L477-I481 HydrophobicContact CD1-CG1 4.46Å; L477-I481 HydrophobicContact CG-CD1 3.91Å; L477-I481 WeakPolarHBondContact O-CB 3.32Å; L477-I481 VanDerWaalsContact O-CG1 3.29Å; L477-I481 WeakPolarHBondContact O-CG1 3.27Å; L477-I481 PolarHBondContact O-N 3.4Å; V478-I481 PolarHBondContact O-N 3.17Å; I481-R483 PolarHBondContact O-N 3.45Å; I481-V484 PolarHBondContact O-N 3.46Å; I481-F485 WeakPolarHBondContact O-CB 3.4Å; I481-F485 PolarHBondContact O-N 3.46Å
482W89.4Confident91.1Very high84 Ų8493.4 Ų93.432%0.31847%0.468SS..Hα-helixtrans-61.2-43.2177.9-176.6-118.2000112.2V478 V479 F480 F485 I486 I495 W496V478-W482 WeakPolarHBondContact O-CB 3.32Å; V478-W482 PolarHBondContact O-N 2.8Å; V479-W482 PolarHBondContact O-N 3.49Å; F480-W482 VanDerWaalsContact C-N 3.3Å; F480-W482 PolarHBondContact O-N 3.21Å; W482-F485 AromaticContact CE3-CD1 3.97Å; W482-F485 HydrophobicContact CE3-CD1 3.97Å; W482-F485 HydrophobicContact CH2-CD1 4.4Å; W482-F485 AromaticContact CZ3-CD1 3.65Å; W482-F485 HydrophobicContact CZ3-CD1 3.65Å; W482-F485 AromaticContact CZ3-CE1 3.97Å; W482-F485 HydrophobicContact CZ3-CE1 3.97Å; W482-F485 PolarHBondContact O-N 3.29Å; W482-I486 HydrophobicContact CD2-CD1 4.08Å; W482-I486 HydrophobicContact CD2-CG1 4.3Å; W482-I486 VanDerWaalsContact CE2-CD1 3.42Å; W482-I486 HydrophobicContact CG-CD1 4.23Å; W482-I486 HydrophobicContact CZ2-CD1 3.8Å; W482-I486 HydrophobicContact CZ2-CG1 4.09Å; W482-I486 WeakPolarHBondContact O-CG1 3.2Å; W482-I486 PolarHBondContact O-N 3.42Å; W482-I495 HydrophobicContact CH2-CG2 4.03Å; W482-W496 AromaticContact CE2-CE3 3.87Å; W482-W496 HydrophobicContact CZ2-CB 4.19Å; W482-W496 AromaticContact CZ2-CE3 3.91Å; W482-W496 HydrophobicContact CZ2-CE3 3.91Å; W482-W496 AromaticContact NE1-CD2 3.99Å; W482-W496 AromaticContact NE1-CE3 3.22Å; W482-W496 AromaticContact NE1-CZ3 3.49Å
483R89.7Confident90.9Very high191 Ų19192.7 Ų92.772%0.72146%0.456SS*.Hα-helixtrans-60.9-44.9174.6-79.9-132-177.4-177.31.7112.4V479 F480 I481 F485 A487V479-R483 WeakPolarHBondContact O-CB 3.47Å; V479-R483 WeakPolarHBondContact O-CG 3.46Å; V479-R483 PolarHBondContact O-N 2.82Å; F480-R483 PolarHBondContact O-N 2.97Å; I481-R483 PolarHBondContact O-N 3.45Å; R483-F485 VanDerWaalsContact C-N 3.34Å; R483-A487 VanDerWaalsContact O-CB 3.32Å; R483-A487 WeakPolarHBondContact O-CB 3.46Å; R483-A487 PolarHBondContact O-N 3Å
484V91.1Very high90.8Very high69 Ų6990.6 Ų90.642%0.41845%0.451SS..Hα-helixtrans-63.2-42.7177.2173.50000110.6F480 I481 A487 R488F480-V484 HydrophobicContact CD1-CG2 4.45Å; F480-V484 HydrophobicContact CE1-CG2 4.05Å; F480-V484 HydrophobicContact CE2-CG2 4.4Å; F480-V484 HydrophobicContact CZ-CG2 4.02Å; F480-V484 WeakPolarHBondContact O-CG2 3.05Å; F480-V484 PolarHBondContact O-N 3.48Å; I481-V484 PolarHBondContact O-N 3.46Å; V484-A487 PolarHBondContact O-N 2.9Å; V484-R488 HydrophobicContact CG1-CG 4.47Å; V484-R488 WeakPolarHBondContact O-CB 3.48Å; V484-R488 WeakPolarHBondContact O-CG 3.43Å; V484-R488 PolarHBondContact O-N 2.97Å
485F90.3Very high90.7Very high85 Ų8590.6 Ų90.637%0.37345%0.45SS..Hα-helixtrans-61.5-49177.8-179.6-108.6000112.3I481 W482 R483 A487 R488 S489 G492I481-F485 WeakPolarHBondContact O-CB 3.4Å; I481-F485 PolarHBondContact O-N 3.46Å; W482-F485 AromaticContact CE3-CD1 3.97Å; W482-F485 HydrophobicContact CE3-CD1 3.97Å; W482-F485 HydrophobicContact CH2-CD1 4.4Å; W482-F485 AromaticContact CZ3-CD1 3.65Å; W482-F485 HydrophobicContact CZ3-CD1 3.65Å; W482-F485 AromaticContact CZ3-CE1 3.97Å; W482-F485 HydrophobicContact CZ3-CE1 3.97Å; W482-F485 PolarHBondContact O-N 3.29Å; R483-F485 VanDerWaalsContact C-N 3.34Å; F485-A487 VanDerWaalsContact C-N 3.34Å; F485-A487 PolarHBondContact O-N 3.21Å; F485-R488 PolarHBondContact O-N 3.49Å; F485-S489 WeakPolarHBondContact O-CB 3.45Å; F485-S489 PolarHBondContact O-N 3.48Å; F485-G492 VanDerWaalsContact CE1-CA 3.4Å
486I92.6Very high90.4Very high29 Ų2991.9 Ų91.915%0.14945%0.445CS..Hα-helixtrans-60.7-43.3175.6-69.2173.2000111.1W482 R488 R493 W496W482-I486 HydrophobicContact CD2-CD1 4.08Å; W482-I486 HydrophobicContact CD2-CG1 4.3Å; W482-I486 VanDerWaalsContact CE2-CD1 3.42Å; W482-I486 HydrophobicContact CG-CD1 4.23Å; W482-I486 HydrophobicContact CZ2-CD1 3.8Å; W482-I486 HydrophobicContact CZ2-CG1 4.09Å; W482-I486 WeakPolarHBondContact O-CG1 3.2Å; W482-I486 PolarHBondContact O-N 3.42Å; I486-R488 PolarHBondContact O-N 2.9Å; I486-R493 HydrophobicContact CG2-CG 3.63Å; I486-R493 VanDerWaalsContact O-CG 3.31Å; I486-R493 WeakPolarHBondContact O-CG 3.49Å; I486-R493 PolarHBondContact O-NH1 3.18Å; I486-W496 HydrophobicContact CD1-CB 3.67Å; I486-W496 HydrophobicContact CD1-CD2 3.87Å; I486-W496 HydrophobicContact CD1-CE3 4.23Å; I486-W496 HydrophobicContact CD1-CG 3.63Å; I486-W496 HydrophobicContact CG1-CB 4.26Å
487A88.4Confident90.1Very high71 Ų7195 Ų9559%0.58745%0.448SS*.Hα-helixtrans-61.7-36.4-179.500000111.8R483 V484 F485 R493R483-A487 VanDerWaalsContact O-CB 3.32Å; R483-A487 WeakPolarHBondContact O-CB 3.46Å; R483-A487 PolarHBondContact O-N 3Å; V484-A487 PolarHBondContact O-N 2.9Å; F485-A487 VanDerWaalsContact C-N 3.34Å; F485-A487 PolarHBondContact O-N 3.21Å; A487-R493 PolarHBondContact O-NH1 2.86Å
488R90.4Very high90Very high225 Ų22598.1 Ų98.185%0.84946%0.459SS*.Hα-helixtrans-98.3-11.6-174.1-63.5-72-175.5148.3-0.9114.7V484 F485 I486V484-R488 HydrophobicContact CG1-CG 4.47Å; V484-R488 WeakPolarHBondContact O-CB 3.48Å; V484-R488 WeakPolarHBondContact O-CG 3.43Å; V484-R488 PolarHBondContact O-N 2.97Å; F485-R488 PolarHBondContact O-N 3.49Å; I486-R488 PolarHBondContact O-N 2.9Å
489S91.8Very high89.8Confident29 Ų2996.8 Ų96.820%0.20345%0.45CS..  trans-128.2125-174.7-179.70000113F485 M491 G492 R493F485-S489 WeakPolarHBondContact O-CB 3.45Å; F485-S489 PolarHBondContact O-N 3.48Å; S489-M491 VanDerWaalsContact C-N 3.31Å; S489-M491 PolarHBondContact O-N 3.28Å; S489-M491 PolarHBondContact OG-N 3.42Å; S489-G492 PolarHBondContact O-N 3.3Å; S489-G492 PolarHBondContact OG-N 2.86Å; S489-R493 PolarHBondContact O-N 3.48Å; S489-R493 VanDerWaalsContact O-N 3.09Å
490Q88.3Confident89.6Confident109 Ų10995.1 Ų95.151%0.50944%0.44SS..Hα-helixtrans-62.8-39.5172.3-173.864.429.900111.5G492 R493 N494Q490-G492 VanDerWaalsContact C-N 3.3Å; Q490-G492 PolarHBondContact O-N 2.87Å; Q490-R493 PolarHBondContact O-N 3.4Å; Q490-R493 VanDerWaalsContact OE1-CZ 3.28Å; Q490-N494 PolarHBondContact NE2-OD1 3.42Å; Q490-N494 VanDerWaalsContact O-CG 3.28Å; Q490-N494 PolarHBondContact O-N 2.88Å; Q490-N494 PolarHBondContact O-OD1 3.26Å
491M87.4Confident89.3Confident125 Ų12591.5 Ų91.562%0.61643%0.431SS*.Hα-helixtrans-60.1-42.3174.2178.9-179.4165.300111S489 R493 N494 I495S489-M491 VanDerWaalsContact C-N 3.31Å; S489-M491 PolarHBondContact O-N 3.28Å; S489-M491 PolarHBondContact OG-N 3.42Å; M491-R493 PolarHBondContact O-N 2.89Å; M491-N494 PolarHBondContact O-N 3.43Å; M491-I495 HydrophobicContact CE-CD1 3.92Å; M491-I495 HydrophobicContact CG-CD1 3.96Å; M491-I495 VanDerWaalsContact O-CG1 3.32Å; M491-I495 WeakPolarHBondContact O-CG1 3.29Å; M491-I495 PolarHBondContact O-N 3.36Å
492G86.1Confident89.2Confident0 Ų091.6 Ų91.60%043%0.433CS..Hα-helixtrans-60.7-43.5175.400000113.1F485 S489 Q490 W496F485-G492 VanDerWaalsContact CE1-CA 3.4Å; S489-G492 PolarHBondContact O-N 3.3Å; S489-G492 PolarHBondContact OG-N 2.86Å; Q490-G492 VanDerWaalsContact C-N 3.3Å; Q490-G492 PolarHBondContact O-N 2.87Å; G492-W496 WeakPolarHBondContact O-CB 3.34Å; G492-W496 PolarHBondContact O-N 3.35Å
493R90.2Very high89.1Confident75 Ų7590.8 Ų90.828%0.28344%0.439SS..Hα-helixtrans-60-47.8173.1-72.9-175-71.4-9214.2112.2I486 A487 S489 Q490 M491 I495 W496 Y497I486-R493 HydrophobicContact CG2-CG 3.63Å; I486-R493 VanDerWaalsContact O-CG 3.31Å; I486-R493 WeakPolarHBondContact O-CG 3.49Å; I486-R493 PolarHBondContact O-NH1 3.18Å; A487-R493 PolarHBondContact O-NH1 2.86Å; S489-R493 PolarHBondContact O-N 3.48Å; S489-R493 VanDerWaalsContact O-N 3.09Å; Q490-R493 PolarHBondContact O-N 3.4Å; Q490-R493 VanDerWaalsContact OE1-CZ 3.28Å; M491-R493 PolarHBondContact O-N 2.89Å; R493-I495 PolarHBondContact O-N 2.95Å; R493-W496 WeakPolarHBondContact O-CB 3.38Å; R493-W496 PolarHBondContact O-N 3.28Å; R493-Y497 HydrophobicContact CB-CD2 4.34Å; R493-Y497 HydrophobicContact CB-CE2 4.15Å; R493-Y497 WeakPolarHBondContact O-CD2 3.36Å; R493-Y497 PolarHBondContact O-N 2.97Å
494N89.6Confident89Confident89 Ų8988.7 Ų88.748%0.47644%0.435SS..Hα-helixtrans-61.7-44.1-178.7-68.2-3000111.6Q490 M491 W496 Y497 F498Q490-N494 PolarHBondContact NE2-OD1 3.42Å; Q490-N494 VanDerWaalsContact O-CG 3.28Å; Q490-N494 PolarHBondContact O-N 2.88Å; Q490-N494 PolarHBondContact O-OD1 3.26Å; M491-N494 PolarHBondContact O-N 3.43Å; N494-W496 VanDerWaalsContact C-N 3.34Å; N494-W496 PolarHBondContact O-N 3.27Å; N494-Y497 PolarHBondContact O-N 2.99Å; N494-F498 WeakPolarHBondContact O-CB 3.32Å; N494-F498 PolarHBondContact O-N 2.86Å
495I88.3Confident88.8Confident66 Ų6692.2 Ų92.234%0.33845%0.445SS..Hα-helixtrans-60.3-45174.6-68.2167.7000110.5W482 M491 R493 F498 V499W482-I495 HydrophobicContact CH2-CG2 4.03Å; M491-I495 HydrophobicContact CE-CD1 3.92Å; M491-I495 HydrophobicContact CG-CD1 3.96Å; M491-I495 VanDerWaalsContact O-CG1 3.32Å; M491-I495 WeakPolarHBondContact O-CG1 3.29Å; M491-I495 PolarHBondContact O-N 3.36Å; R493-I495 PolarHBondContact O-N 2.95Å; I495-F498 PolarHBondContact O-N 3.42Å; I495-V499 HydrophobicContact CG2-CG2 4.4Å; I495-V499 WeakPolarHBondContact O-CG2 3.43Å; I495-V499 PolarHBondContact O-N 3.35Å
496W88.3Confident88.5Confident112 Ų11294.3 Ų94.342%0.42445%0.454SS..Hα-helixtrans-61.4-48.4178.7179.2-110.6000112.7W482 I486 G492 R493 N494 F498 V499 V500W482-W496 AromaticContact CE2-CE3 3.87Å; W482-W496 HydrophobicContact CZ2-CB 4.19Å; W482-W496 AromaticContact CZ2-CE3 3.91Å; W482-W496 HydrophobicContact CZ2-CE3 3.91Å; W482-W496 AromaticContact NE1-CD2 3.99Å; W482-W496 AromaticContact NE1-CE3 3.22Å; W482-W496 AromaticContact NE1-CZ3 3.49Å; I486-W496 HydrophobicContact CD1-CB 3.67Å; I486-W496 HydrophobicContact CD1-CD2 3.87Å; I486-W496 HydrophobicContact CD1-CE3 4.23Å; I486-W496 HydrophobicContact CD1-CG 3.63Å; I486-W496 HydrophobicContact CG1-CB 4.26Å; G492-W496 WeakPolarHBondContact O-CB 3.34Å; G492-W496 PolarHBondContact O-N 3.35Å; R493-W496 WeakPolarHBondContact O-CB 3.38Å; R493-W496 PolarHBondContact O-N 3.28Å; N494-W496 VanDerWaalsContact C-N 3.34Å; N494-W496 PolarHBondContact O-N 3.27Å; W496-F498 VanDerWaalsContact C-N 3.3Å; W496-F498 PolarHBondContact O-N 3.48Å; W496-V499 PolarHBondContact O-N 2.94Å; W496-V500 HydrophobicContact CD2-CG2 3.89Å; W496-V500 HydrophobicContact CE3-CG2 4.31Å; W496-V500 HydrophobicContact CG-CG2 4.41Å; W496-V500 HydrophobicContact CH2-CG2 4.11Å; W496-V500 HydrophobicContact CZ2-CG2 3.65Å; W496-V500 HydrophobicContact CZ3-CG2 4.42Å; W496-V500 WeakPolarHBondContact O-CB 3.32Å; W496-V500 VanDerWaalsContact O-CG2 3.32Å; W496-V500 WeakPolarHBondContact O-CG2 3.4Å; W496-V500 PolarHBondContact O-N 3.37Å
497Y88.5Confident88.1Confident158 Ų15898.4 Ų98.462%0.6248%0.476SS*.Hα-helixtrans-61.4-39.7177.1-73.8-61000112.1R493 N494 S501R493-Y497 HydrophobicContact CB-CD2 4.34Å; R493-Y497 HydrophobicContact CB-CE2 4.15Å; R493-Y497 WeakPolarHBondContact O-CD2 3.36Å; R493-Y497 PolarHBondContact O-N 2.97Å; N494-Y497 PolarHBondContact O-N 2.99Å; Y497-S501 WeakPolarHBondContact O-CB 3.46Å; Y497-S501 PolarHBondContact O-N 3.47Å
498F89.6Confident87.6Confident140 Ų14098.5 Ų98.561%0.61447%0.472SS*.Hα-helixtrans-60.9-49.9175.1177.6-98.7000111.8N494 I495 W496 S501 L502N494-F498 WeakPolarHBondContact O-CB 3.32Å; N494-F498 PolarHBondContact O-N 2.86Å; I495-F498 PolarHBondContact O-N 3.42Å; W496-F498 VanDerWaalsContact C-N 3.3Å; W496-F498 PolarHBondContact O-N 3.48Å; F498-S501 PolarHBondContact O-N 3.44Å; F498-L502 HydrophobicContact CZ-CD1 4.32Å; F498-L502 WeakPolarHBondContact O-CB 3.47Å; F498-L502 PolarHBondContact O-N 3.24Å
499V88Confident87.2Confident66 Ų6695.8 Ų95.840%0.446%0.463SS..Hα-helixtrans-62.9-46.8179.4172.40000111.3I495 W496 S501 L502 C503I495-V499 HydrophobicContact CG2-CG2 4.4Å; I495-V499 WeakPolarHBondContact O-CG2 3.43Å; I495-V499 PolarHBondContact O-N 3.35Å; W496-V499 PolarHBondContact O-N 2.94Å; V499-S501 VanDerWaalsContact C-N 3.34Å; V499-S501 PolarHBondContact O-N 3.03Å; V499-L502 WeakPolarHBondContact O-CB 3.34Å; V499-L502 PolarHBondContact O-N 2.82Å; V499-C503 PolarHBondContact O-N 3.3Å; V499-C503 PolarHBondContact O-SG 2.98Å; V499-C503 VanDerWaalsContact O-SG 3.37Å
500V88.3Confident86.3Confident43 Ų43100 Ų10026%0.26148%0.478SS..Hα-helixtrans-61.9-42.91781720000110.8W496 L502 C503 F504W496-V500 HydrophobicContact CD2-CG2 3.89Å; W496-V500 HydrophobicContact CE3-CG2 4.31Å; W496-V500 HydrophobicContact CG-CG2 4.41Å; W496-V500 HydrophobicContact CH2-CG2 4.11Å; W496-V500 HydrophobicContact CZ2-CG2 3.65Å; W496-V500 HydrophobicContact CZ3-CG2 4.42Å; W496-V500 WeakPolarHBondContact O-CB 3.32Å; W496-V500 VanDerWaalsContact O-CG2 3.32Å; W496-V500 WeakPolarHBondContact O-CG2 3.4Å; W496-V500 PolarHBondContact O-N 3.37Å; V500-L502 VanDerWaalsContact C-N 3.35Å; V500-L502 PolarHBondContact O-N 2.85Å; V500-C503 PolarHBondContact O-N 3.15Å; V500-F504 HydrophobicContact CG1-CD2 3.71Å; V500-F504 HydrophobicContact CG1-CE2 3.78Å; V500-F504 WeakPolarHBondContact O-CD2 3.49Å; V500-F504 PolarHBondContact O-N 3.4Å
501S87.1Confident85.6Confident56 Ų56104.3 Ų104.339%0.39249%0.489SS..Hα-helixtrans-60.8-42.5175.4-175.50000112Y497 F498 V499 F504 K505Y497-S501 WeakPolarHBondContact O-CB 3.46Å; Y497-S501 PolarHBondContact O-N 3.47Å; F498-S501 PolarHBondContact O-N 3.44Å; V499-S501 VanDerWaalsContact C-N 3.34Å; V499-S501 PolarHBondContact O-N 3.03Å; S501-F504 PolarHBondContact O-N 3.42Å; S501-K505 WeakPolarHBondContact O-CG 3.36Å; S501-K505 PolarHBondContact O-N 3.35Å
502L89Confident84.5Confident102 Ų102100.7 Ų100.753%0.53448%0.48SS..Hα-helixtrans-62.6-45176.3-160.7100.5000111.5F498 V499 V500 F504 K505 F506F498-L502 HydrophobicContact CZ-CD1 4.32Å; F498-L502 WeakPolarHBondContact O-CB 3.47Å; F498-L502 PolarHBondContact O-N 3.24Å; V499-L502 WeakPolarHBondContact O-CB 3.34Å; V499-L502 PolarHBondContact O-N 2.82Å; V500-L502 VanDerWaalsContact C-N 3.35Å; V500-L502 PolarHBondContact O-N 2.85Å; L502-F504 PolarHBondContact O-N 3.02Å; L502-K505 PolarHBondContact O-N 2.96Å; L502-F506 WeakPolarHBondContact O-CB 3.4Å; L502-F506 PolarHBondContact O-N 3.26Å
503C87.4Confident83.4Confident66 Ų66103.7 Ų103.745%0.44650%0.501SS..Hα-helixtrans-61.2-43175.7-70.30000112V499 V500 F506 L507V499-C503 PolarHBondContact O-N 3.3Å; V499-C503 PolarHBondContact O-SG 2.98Å; V499-C503 VanDerWaalsContact O-SG 3.37Å; V500-C503 PolarHBondContact O-N 3.15Å; C503-F506 PolarHBondContact O-N 3.44Å; C503-L507 WeakPolarHBondContact O-CB 3.47Å; C503-L507 WeakPolarHBondContact O-CG 3.48Å; C503-L507 PolarHBondContact O-N 3.25Å
504F88Confident81.8Confident147 Ų147103.9 Ų103.965%0.64551%0.513SS*.Hα-helixtrans-63.1-42.9175.6-93.4-75.5000112.1V500 S501 L502 F506 L507 S508V500-F504 HydrophobicContact CG1-CD2 3.71Å; V500-F504 HydrophobicContact CG1-CE2 3.78Å; V500-F504 WeakPolarHBondContact O-CD2 3.49Å; V500-F504 PolarHBondContact O-N 3.4Å; S501-F504 PolarHBondContact O-N 3.42Å; L502-F504 PolarHBondContact O-N 3.02Å; F504-F506 VanDerWaalsContact C-N 3.34Å; F504-L507 PolarHBondContact O-N 3.17Å; F504-S508 WeakPolarHBondContact O-CB 3.2Å; F504-S508 PolarHBondContact O-N 3.09Å; F504-S508 PolarHBondContact O-OG 2.97Å
505K86.6Confident80.3Confident144 Ų144104.9 Ų104.963%0.62652%0.523SS*.Hα-helixtrans-63.7-38.4175-74.8179.5-178.9-178.10112.4S501 L502 S508 Y509S501-K505 WeakPolarHBondContact O-CG 3.36Å; S501-K505 PolarHBondContact O-N 3.35Å; L502-K505 PolarHBondContact O-N 2.96Å; K505-S508 PolarHBondContact O-OG 3.37Å; K505-S508 WeakPolarHBondContact CA-OG 3.45Å; K505-Y509 PolarHBondContact O-N 3.49Å; K505-Y509 WeakPolarHBondContact O-CB 3.31Å
506F85.6Confident78.7Confident129 Ų129109.2 Ų109.257%0.56654%0.543SS*.Hα-helixtrans-69.5-43.4177.5-167.1-99.1000111.7L502 C503 F504 Y509 F510L502-F506 WeakPolarHBondContact O-CB 3.4Å; L502-F506 PolarHBondContact O-N 3.26Å; C503-F506 PolarHBondContact O-N 3.44Å; F504-F506 VanDerWaalsContact C-N 3.34Å; F506-Y509 WeakPolarHBondContact O-CB 3.41Å; F506-Y509 PolarHBondContact O-N 3.34Å; F506-F510 HydrophobicContact CE1-CE2 3.34Å; F506-F510 PolarHBondContact O-N 3.03Å; F506-F510 WeakPolarHBondContact O-CD2 3.37Å; F506-F510 HydrophobicContact CZ-CZ 4.28Å; F506-F510 HydrophobicContact CZ-CE2 3.36Å; F506-F510 AromaticContact CZ-CE2 3.36Å; F506-F510 HydrophobicContact CZ-CD2 4.09Å; F506-F510 HydrophobicContact CE2-CE2 4.03Å; F506-F510 HydrophobicContact CE1-CZ 4.36Å; F506-F510 AromaticContact CE1-CE2 3.34Å; F506-F510 HydrophobicContact CE1-CD2 3.69Å; F506-F510 AromaticContact CE1-CD2 3.69Å; F506-F510 HydrophobicContact CD1-CE2 4.06Å; F506-F510 HydrophobicContact CD1-CD2 3.95Å; F506-F510 AromaticContact CD1-CD2 3.95Å
507L82.7Confident76.9Confident115 Ų115112.4 Ų112.460%0.60256%0.56SS**Hα-helixtrans-64.7-39.7174.9-75.3168.3000112.1C503 F504 Y509 F510 R511C503-L507 WeakPolarHBondContact O-CB 3.47Å; C503-L507 WeakPolarHBondContact O-CG 3.48Å; C503-L507 PolarHBondContact O-N 3.25Å; F504-L507 PolarHBondContact O-N 3.17Å; L507-Y509 VanDerWaalsContact C-N 3.34Å; L507-F510 PolarHBondContact O-N 2.94Å; L507-R511 WeakPolarHBondContact O-CB 3.49Å; L507-R511 PolarHBondContact O-N 3.22Å
508S79.6Confident74.8Confident72 Ų72119.2 Ų119.250%0.50359%0.587SS.*Hα-helixtrans-66.3-36.8175.965.90000112F504 K505 R511 A512F504-S508 WeakPolarHBondContact O-CB 3.2Å; F504-S508 PolarHBondContact O-N 3.09Å; F504-S508 PolarHBondContact O-OG 2.97Å; K505-S508 PolarHBondContact O-OG 3.37Å; K505-S508 WeakPolarHBondContact CA-OG 3.45Å; S508-R511 PolarHBondContact O-N 3.45Å; S508-A512 WeakPolarHBondContact O-CB 3.32Å; S508-A512 PolarHBondContact O-N 2.88Å
509Y80.6Confident74Confident168 Ų168118.2 Ų118.266%0.65959%0.585SS**Hα-helixtrans-62.1-45.7173.2-175.3-96.7000112.4K505 F506 L507 R511 A512 S513K505-Y509 PolarHBondContact O-N 3.49Å; K505-Y509 WeakPolarHBondContact O-CB 3.31Å; F506-Y509 WeakPolarHBondContact O-CB 3.41Å; F506-Y509 PolarHBondContact O-N 3.34Å; L507-Y509 VanDerWaalsContact C-N 3.34Å; Y509-R511 PolarHBondContact O-N 3.33Å; Y509-A512 PolarHBondContact O-N 3.31Å; Y509-S513 WeakPolarHBondContact O-CB 3.43Å; Y509-S513 PolarHBondContact O-N 2.98Å
510F74.3Confident73.3Confident119 Ų119120.9 Ų120.952%0.52260%0.595SS.*Hα-helixtrans-64.5-39.2174.8-94.1-87.6000112.8F506 L507 S513 S514F506-F510 HydrophobicContact CE1-CE2 3.34Å; F506-F510 PolarHBondContact O-N 3.03Å; F506-F510 WeakPolarHBondContact O-CD2 3.37Å; F506-F510 HydrophobicContact CZ-CZ 4.28Å; F506-F510 HydrophobicContact CZ-CE2 3.36Å; F506-F510 AromaticContact CZ-CE2 3.36Å; F506-F510 HydrophobicContact CZ-CD2 4.09Å; F506-F510 HydrophobicContact CE2-CE2 4.03Å; F506-F510 HydrophobicContact CE1-CZ 4.36Å; F506-F510 AromaticContact CE1-CE2 3.34Å; F506-F510 HydrophobicContact CE1-CD2 3.69Å; F506-F510 AromaticContact CE1-CD2 3.69Å; F506-F510 HydrophobicContact CD1-CE2 4.06Å; F506-F510 HydrophobicContact CD1-CD2 3.95Å; F506-F510 AromaticContact CD1-CD2 3.95Å; L507-F510 PolarHBondContact O-N 2.94Å; F510-S513 PolarHBondContact O-N 2.95Å; F510-S514 WeakPolarHBondContact O-CB 3.34Å; F510-S514 PolarHBondContact O-N 3.44Å; F510-S514 PolarHBondContact O-OG 3.03Å
511R71.9Confident72.5Confident198 Ų198125.2 Ų125.275%0.74761%0.614SS**Hα-helixtrans-63-47.4177-146.8174.4-169.2179.61.8110.5L507 S508 Y509 S513 S514 T515L507-R511 WeakPolarHBondContact O-CB 3.49Å; L507-R511 PolarHBondContact O-N 3.22Å; S508-R511 PolarHBondContact O-N 3.45Å; Y509-R511 PolarHBondContact O-N 3.33Å; R511-S513 PolarHBondContact O-N 3.27Å; R511-S514 PolarHBondContact O-N 3.27Å; R511-S514 PolarHBondContact O-OG 3.27Å; R511-T515 PolarHBondContact O-N 2.86Å; R511-T515 PolarHBondContact O-OG1 3.18Å
512A65.9Low71.6Confident50 Ų50129.3 Ų129.341%0.41363%0.627SS.*Hα-helixtrans-62.1-39.2175.800000113S508 Y509 T515S508-A512 WeakPolarHBondContact O-CB 3.32Å; S508-A512 PolarHBondContact O-N 2.88Å; Y509-A512 PolarHBondContact O-N 3.31Å; A512-T515 WeakPolarHBondContact CA-OG1 3.43Å; A512-T515 PolarHBondContact O-OG1 3.03Å
513S61Low70.5Confident63 Ų63131 Ų13144%0.44163%0.633SS.*Hα-helixtrans-71.2-30.7176.3-176.30000113.4Y509 F510 R511Y509-S513 WeakPolarHBondContact O-CB 3.43Å; Y509-S513 PolarHBondContact O-N 2.98Å; F510-S513 PolarHBondContact O-N 2.95Å; R511-S513 PolarHBondContact O-N 3.27Å
514S58.1Low69.4Low78 Ų78135.3 Ų135.355%0.54565%0.645SS.*Hα-helixtrans-74.9-26176.668.10000113.2F510 R511F510-S514 WeakPolarHBondContact O-CB 3.34Å; F510-S514 PolarHBondContact O-N 3.44Å; F510-S514 PolarHBondContact O-OG 3.03Å; R511-S514 PolarHBondContact O-N 3.27Å; R511-S514 PolarHBondContact O-OG 3.27Å
515T57.2Low68.1Low110 Ų110134.5 Ų134.568%0.67565%0.645SS**THydrogen-bonded Turntrans-82.5-7.3174.240.30000114.2R511 A512R511-T515 PolarHBondContact O-N 2.86Å; R511-T515 PolarHBondContact O-OG1 3.18Å; A512-T515 WeakPolarHBondContact CA-OG1 3.43Å; A512-T515 PolarHBondContact O-OG1 3.03Å
516M54.3Low66.6Low157 Ų157133.8 Ų133.877%0.77365%0.647SS**THydrogen-bonded Turntrans-9414.9174.5-75.4-160-7200113.9
517K51.7Low65.1Low179 Ų179134.2 Ų134.278%0.77865%0.653SS**  trans-105.274.9165.3-81.9-171.8174.6-176.90109.8
518Y43.7Very low63.5Low301 Ų301135.9 Ų135.9100%1.1866%0.658SS**  trans-152.40153-96.1-74.6000108.6

Retrieved 518 of 518 residues in 3481.9 ms (Link to these results)

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