A0A087XD51_POEFO Loading...

RAR-related orphan receptor A, paralog a

Nuclear receptor that binds DNA as a monomer to ROR response elements (RORE). Required for proper cerebellum development.

AlphaFold DB (A0A3P9JPB4), UniProt , Accession A0A087XD51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 468 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
1M32.3Very low41.5Very low34 Ų3485.9 Ų85.917%0.16745%0.446CS..  0-510-141.473.873.200114.4Y3 F4 V5 L451 E454 L455M1-Y3 PolarHBondContact O-N 3.06Å; M1-F4 WeakPolarHBondContact O-CA 3.38Å; M1-F4 WeakPolarHBondContact O-CB 3.27Å; M1-F4 PolarHBondContact O-N 3.37Å; M1-V5 PolarHBondContact O-N 3.35Å; M1-L451 HydrophobicContact CB-CD1 4.36Å; M1-L451 VanDerWaalsContact CE-CA 3.46Å; M1-L451 HydrophobicContact CE-CB 4.32Å; M1-L451 HydrophobicContact CE-CD1 3.97Å; M1-L451 VanDerWaalsContact CE-O 3.26Å; M1-L451 WeakPolarHBondContact CE-O 3.19Å; M1-L451 HydrophobicContact CG-CB 3.88Å; M1-L451 HydrophobicContact CG-CD1 3.68Å; M1-L451 HydrophobicContact CG-CG 4.34Å; M1-L451 WeakPolarHBondContact SD-CA 3.49Å; M1-L451 HydrophobicContact SD-CB 4.19Å; M1-E454 WeakPolarHBondContact CA-OE1 3.49Å; M1-E454 WeakPolarHBondContact CA-OE2 3.4Å; M1-E454 WeakPolarHBondContact CB-OE1 3.36Å; M1-E454 HydrophobicContact CE-CB 3.22Å; M1-E454 HydrophobicContact CE-CG 3.35Å; M1-E454 PolarHBondContact N-OE1 3.31Å; M1-E454 PolarHBondContact N-OE2 2.79Å; M1-E454 HydrophobicContact SD-CB 3.78Å; M1-E454 VanDerWaalsContact SD-CD 3.54Å; M1-E454 HydrophobicContact SD-CG 4.07Å; M1-L455 HydrophobicContact CE-CD2 4.36Å; M1-L455 HydrophobicContact CE-CG 3.91Å
2M29Very low43.3Very low101 Ų10183.1 Ų83.150%0.49843%0.429SS..Hα-helixtrans-57.4-38.6-176.6-159.6167.974.600111.7F4 I6 K284M2-F4 VanDerWaalsContact C-N 3.34Å; M2-F4 PolarHBondContact O-N 2.77Å; M2-I6 HydrophobicContact CG-CD1 4.15Å; M2-I6 WeakPolarHBondContact O-CB 3.41Å; M2-I6 WeakPolarHBondContact O-CD1 3.34Å; M2-I6 WeakPolarHBondContact O-CG1 3.43Å; M2-I6 PolarHBondContact O-N 3.21Å; M2-K284 VanDerWaalsContact SD-CE 3.58Å; M2-K284 PolarHBondContact SD-NZ 3.35Å; M2-K284 VanDerWaalsContact SD-NZ 3.37Å
3Y28.9Very low44.9Very low176 Ų17677.9 Ų77.969%0.6940%0.403SS*.Hα-helixtrans-57.1-39168.4-81.8-90.5000113.9M1 S7M1-Y3 PolarHBondContact O-N 3.06Å; Y3-S7 WeakPolarHBondContact O-CA 3.26Å; Y3-S7 WeakPolarHBondContact O-CB 3.44Å; Y3-S7 PolarHBondContact O-N 3.22Å
4F32.3Very low46.7Very low137 Ų13776.5 Ų76.560%0.60139%0.393SS*.Hα-helixtrans-77.1-36.8-177.7-112.9-82.3000113.3M1 M2 S7 A8M1-F4 WeakPolarHBondContact O-CA 3.38Å; M1-F4 WeakPolarHBondContact O-CB 3.27Å; M1-F4 PolarHBondContact O-N 3.37Å; M2-F4 VanDerWaalsContact C-N 3.34Å; M2-F4 PolarHBondContact O-N 2.77Å; F4-S7 CarbonylContact O-C 3.59Å; F4-S7 PolarHBondContact O-N 3.34Å; F4-A8 WeakPolarHBondContact O-CB 3.49Å; F4-A8 PolarHBondContact O-N 3.27Å
5V38.2Very low48.6Very low70 Ų7074.7 Ų74.742%0.42438%0.384SS..Hα-helixtrans-68.8-42.3173.4179.20000110.5M1 S7 A8 M9M1-V5 PolarHBondContact O-N 3.35Å; V5-S7 VanDerWaalsContact C-N 3.32Å; V5-S7 PolarHBondContact O-N 2.82Å; V5-A8 PolarHBondContact O-N 2.88Å; V5-M9 WeakPolarHBondContact O-CG 3.39Å; V5-M9 PolarHBondContact O-N 3.23Å
6I39.4Very low50.9Low103 Ų10370.1 Ų70.153%0.52836%0.36SS..Hα-helixtrans-60.8-42.7170.4-68.1168.6000110.2M2 K10M2-I6 HydrophobicContact CG-CD1 4.15Å; M2-I6 WeakPolarHBondContact O-CB 3.41Å; M2-I6 WeakPolarHBondContact O-CD1 3.34Å; M2-I6 WeakPolarHBondContact O-CG1 3.43Å; M2-I6 PolarHBondContact O-N 3.21Å; I6-K10 WeakPolarHBondContact O-CB 3.36Å; I6-K10 PolarHBondContact O-N 3.3Å
7S42.8Very low53.3Low60 Ų6068.9 Ų68.942%0.4236%0.358SS..Hα-helixtrans-66-37.8178.3-167.10000112.6Y3 F4 V5 K10 A11Y3-S7 WeakPolarHBondContact O-CA 3.26Å; Y3-S7 WeakPolarHBondContact O-CB 3.44Å; Y3-S7 PolarHBondContact O-N 3.22Å; F4-S7 CarbonylContact O-C 3.59Å; F4-S7 PolarHBondContact O-N 3.34Å; V5-S7 VanDerWaalsContact C-N 3.32Å; V5-S7 PolarHBondContact O-N 2.82Å; S7-K10 PolarHBondContact O-N 3.03Å; S7-A11 WeakPolarHBondContact O-CB 3.46Å; S7-A11 PolarHBondContact O-N 3.07Å
8A48Very low55.6Low51 Ų5165.2 Ų65.242%0.42134%0.339SS..Hα-helixtrans-67.9-45.5176.500000111.9F4 V5 K10 A11 Q12F4-A8 WeakPolarHBondContact O-CB 3.49Å; F4-A8 PolarHBondContact O-N 3.27Å; V5-A8 PolarHBondContact O-N 2.88Å; A8-K10 VanDerWaalsContact C-N 3.33Å; A8-A11 PolarHBondContact O-N 3.26Å; A8-Q12 VanDerWaalsContact O-CG 3.29Å; A8-Q12 WeakPolarHBondContact O-CG 3.45Å; A8-Q12 PolarHBondContact O-N 2.86Å
9M53.9Low57.6Low65 Ų6566.6 Ų66.632%0.3234%0.342SS..Hα-helixtrans-64.8-38.2173.4-68.5-174.872.800111.7V5 Q12 I13 M93V5-M9 WeakPolarHBondContact O-CG 3.39Å; V5-M9 PolarHBondContact O-N 3.23Å; M9-Q12 PolarHBondContact O-N 3.38Å; M9-I13 WeakPolarHBondContact O-CD1 3.5Å; M9-I13 VanDerWaalsContact O-CG1 3.3Å; M9-I13 WeakPolarHBondContact O-CG1 3.11Å; M9-I13 PolarHBondContact O-N 3.14Å; M9-M93 HydrophobicContact CE-CE 3.98Å
10K53.9Low59.6Low98 Ų9863.3 Ų63.343%0.42633%0.325SS..Hα-helixtrans-64.8-45.3175.1-175.1-177.3177.4-168.80111.5I6 S7 A8 Q12 I13 E14I6-K10 WeakPolarHBondContact O-CB 3.36Å; I6-K10 PolarHBondContact O-N 3.3Å; S7-K10 PolarHBondContact O-N 3.03Å; A8-K10 VanDerWaalsContact C-N 3.33Å; K10-Q12 VanDerWaalsContact C-N 3.29Å; K10-Q12 PolarHBondContact O-N 3.08Å; K10-I13 PolarHBondContact O-N 3.42Å; K10-I13 VanDerWaalsContact O-N 3.09Å; K10-E14 VanDerWaalsContact CE-OE1 3.25Å; K10-E14 WeakPolarHBondContact CE-OE1 3.24Å; K10-E14 HydrophobicContact CG-CG 4.45Å; K10-E14 WeakPolarHBondContact O-CB 3.41Å; K10-E14 WeakPolarHBondContact O-CG 3.29Å; K10-E14 PolarHBondContact O-N 3.26Å
11A58.1Low61.3Low50 Ų5060.5 Ų60.541%0.41331%0.311SS..Hα-helixtrans-62.8-34.1175.700000112.4S7 A8S7-A11 WeakPolarHBondContact O-CB 3.46Å; S7-A11 PolarHBondContact O-N 3.07Å; A8-A11 PolarHBondContact O-N 3.26Å
12Q63.1Low64.2Low52 Ų5261.3 Ų61.324%0.24333%0.329CS..Hα-helixtrans-67.6-39.5171-71.6167-2.900112.2A8 M9 K10 Y102 V105A8-Q12 VanDerWaalsContact O-CG 3.29Å; A8-Q12 WeakPolarHBondContact O-CG 3.45Å; A8-Q12 PolarHBondContact O-N 2.86Å; M9-Q12 PolarHBondContact O-N 3.38Å; K10-Q12 VanDerWaalsContact C-N 3.29Å; K10-Q12 PolarHBondContact O-N 3.08Å; Q12-Y102 VanDerWaalsContact OE1-CE1 3.23Å; Q12-Y102 PolarHBondContact OE1-OH 3.45Å; Q12-V105 WeakPolarHBondContact O-CG2 3.46Å
13I64.1Low67.2Low16 Ų1657.7 Ų57.78%0.08231%0.311CS..Hα-helixtrans-71-38177.5-66.5161.8000111.9M9 K10 I15 I16 S25 I33 L101M9-I13 WeakPolarHBondContact O-CD1 3.5Å; M9-I13 VanDerWaalsContact O-CG1 3.3Å; M9-I13 WeakPolarHBondContact O-CG1 3.11Å; M9-I13 PolarHBondContact O-N 3.14Å; K10-I13 PolarHBondContact O-N 3.42Å; K10-I13 VanDerWaalsContact O-N 3.09Å; I13-I15 PolarHBondContact O-N 3.44Å; I13-I16 PolarHBondContact O-N 2.94Å; I13-S25 PolarHBondContact O-OG 2.81Å; I13-I33 HydrophobicContact CG2-CG2 4.02Å; I13-L101 HydrophobicContact CD1-CD2 4.28Å; I13-L101 HydrophobicContact CG1-CD1 4.4Å; I13-L101 HydrophobicContact CG1-CD2 3.96Å
14E69.5Low70.1Confident58 Ų5855.4 Ų55.427%0.27131%0.305SS..THydrogen-bonded Turntrans-58.5-18.2-179.6-80.9-178.1-163.400114K10 K24K10-E14 VanDerWaalsContact CE-OE1 3.25Å; K10-E14 WeakPolarHBondContact CE-OE1 3.24Å; K10-E14 HydrophobicContact CG-CG 4.45Å; K10-E14 WeakPolarHBondContact O-CB 3.41Å; K10-E14 WeakPolarHBondContact O-CG 3.29Å; K10-E14 PolarHBondContact O-N 3.26Å; E14-K24 WeakPolarHBondContact OE2-CE 3.48Å; E14-K24 IonicContact OE2-NZ 3.6Å; E14-K24 PolarHBondContact OE2-NZ 3.14Å
15I76.1Confident72.9Confident50 Ų5049.1 Ų49.126%0.25628%0.278SS..THydrogen-bonded Turntrans-72.5-29.8173.3-62.2170.5000111.8I13 V105 H108 R109I13-I15 PolarHBondContact O-N 3.44Å; I15-V105 HydrophobicContact CD1-CG1 4.33Å; I15-H108 HydrophobicContact CG2-CB 4.24Å; I15-R109 HydrophobicContact CD1-CG 4.42Å; I15-R109 HydrophobicContact CG2-CG 4.41Å
16I85.3Confident75.2Confident0 Ų047 Ų470%027%0.267CS..SBendtrans-87.5124.6179.1-62.2169.7000109.2I13 S25 I33 L101 E104 V105I13-I16 PolarHBondContact O-N 2.94Å; I16-S25 WeakPolarHBondContact O-CB 3.27Å; I16-S25 PolarHBondContact O-OG 2.76Å; I16-I33 HydrophobicContact CB-CD1 4.39Å; I16-I33 HydrophobicContact CB-CG2 4.33Å; I16-I33 HydrophobicContact CD1-CD1 3.87Å; I16-I33 HydrophobicContact CG2-CD1 3.88Å; I16-I33 HydrophobicContact CG2-CG2 4.07Å; I16-L101 HydrophobicContact CD1-CD1 3.71Å; I16-E104 HydrophobicContact CD1-CB 3.98Å; I16-E104 HydrophobicContact CD1-CG 3.87Å; I16-E104 HydrophobicContact CG1-CG 4.42Å; I16-V105 HydrophobicContact CD1-CB 4.46Å; I16-V105 HydrophobicContact CD1-CG2 3.49Å; I16-V105 VanDerWaalsContact CD1-CG2 3.49Å; I16-V105 HydrophobicContact CG1-CG2 4.03Å
17P91.1Very high77.4Confident50 Ų5042.6 Ų42.633%0.32525%0.246SC..BIsolated β-bridgetrans-69.2150.9178.728.1-34.6000112.4K19P17-K19 PolarHBondContact O-N 2.66Å; P17-K19 VanDerWaalsContact O-N 3.15Å
18C94.7Very high79.4Confident3 Ų342.7 Ų42.72%0.0224%0.241CC..PPolyproline II helixtrans-57116.7178.1172.20000111.5I20 C21 G22 D23 C35C18-I20 PolarHBondContact O-N 2.83Å; C18-C21 PolarHBondContact O-N 3.47Å; C18-C21 VanDerWaalsContact O-N 3.1Å; C18-C21 VanDerWaalsContact SG-SG 3.66Å; C18-G22 PolarHBondContact O-N 3.44Å; C18-D23 WeakPolarHBondContact CB-O 3.46Å; C18-D23 PolarHBondContact N-O 3.29Å; C18-C35 HydrophobicContact CB-CB 4.01Å; C18-C35 PolarHBondContact SG-N 3.32Å; C18-C35 VanDerWaalsContact SG-SG 3.62Å
19K94.2Very high81.3Confident91 Ų9141.7 Ų41.740%0.39623%0.228SC..THydrogen-bonded Turntrans-58.7-17.3-176.8-63.8-70.4-172.9177.30114.1P17 V32 I33 E104P17-K19 PolarHBondContact O-N 2.66Å; P17-K19 VanDerWaalsContact O-N 3.15Å; K19-V32 HydrophobicContact CB-CG1 4.1Å; K19-V32 HydrophobicContact CG-CG1 4.32Å; K19-I33 PolarHBondContact N-O 2.67Å; K19-E104 IonicContact NZ-OE1 2.64Å; K19-E104 PolarHBondContact NZ-OE1 2.87Å
20I96.9Very high83Confident1 Ų140.8 Ų40.81%0.00522%0.221CC..THydrogen-bonded Turntrans-83.3-44.8176.4-50.6-55.4000113C18 T34 C38 I62 R74 K77 C78 V81 M83C18-I20 PolarHBondContact O-N 2.83Å; I20-T34 HydrophobicContact CG1-CG2 3.78Å; I20-C38 HydrophobicContact CB-CB 4.22Å; I20-C38 HydrophobicContact CG1-CB 4.17Å; I20-C38 HydrophobicContact CG2-CB 4.4Å; I20-I62 HydrophobicContact CG2-CG2 4.05Å; I20-I62 WeakPolarHBondContact O-CG2 3.44Å; I20-R74 HydrophobicContact CG2-CG 4.35Å; I20-K77 HydrophobicContact CG2-CD 4.49Å; I20-K77 WeakPolarHBondContact O-CD 3.12Å; I20-K77 WeakPolarHBondContact O-CE 3.2Å; I20-K77 PolarHBondContact O-NZ 3.29Å; I20-C78 HydrophobicContact CD1-CB 4.29Å; I20-V81 HydrophobicContact CD1-CG2 3.35Å; I20-M83 HydrophobicContact CD1-SD 4.08Å; I20-M83 HydrophobicContact CG1-SD 4.21Å
21C95.4Very high84.4Confident4 Ų437.9 Ų37.93%0.02722%0.219CC..THydrogen-bonded Turntrans-140.56-165.567.40000115.4C18 D23 C35 C38 I62 D63 R64 R67C18-C21 PolarHBondContact O-N 3.47Å; C18-C21 VanDerWaalsContact O-N 3.1Å; C18-C21 VanDerWaalsContact SG-SG 3.66Å; C21-D23 PolarHBondContact O-N 3.02Å; C21-C35 VanDerWaalsContact SG-SG 3.66Å; C21-C38 VanDerWaalsContact SG-SG 3.63Å; C21-I62 HydrophobicContact CB-CG2 4.13Å; C21-D63 CarbonylContact O-C 3.19Å; C21-D63 WeakPolarHBondContact O-CA 3.42Å; C21-R64 PolarHBondContact O-N 3.34Å; C21-R67 HydrophobicContact CB-CB 4.14Å; C21-R67 PolarHBondContact SG-NH1 3.48Å
22G92.4Very high85.8Confident52 Ų5236.2 Ų36.254%0.53620%0.204SC..SBendtrans73-11.6178.500000116C18C18-G22 PolarHBondContact O-N 3.44Å
23D93.3Very high87.1Confident25 Ų2534.7 Ų34.713%0.13420%0.197CC..SBendtrans-63.5160176.5-160.516.9000112.3C18 C21 S25 C35 R64 R67C18-D23 WeakPolarHBondContact CB-O 3.46Å; C18-D23 PolarHBondContact N-O 3.29Å; C21-D23 PolarHBondContact O-N 3.02Å; D23-S25 PolarHBondContact O-N 3.39Å; D23-C35 HydrophobicContact CB-CB 4.47Å; D23-R64 HydrophobicContact CB-CB 4.42Å; D23-R64 HydrophobicContact CB-CG 4.03Å; D23-R64 WeakPolarHBondContact OD1-CD 3.41Å; D23-R64 IonicContact OD1-CZ 3.26Å; D23-R64 IonicContact OD1-NE 2.66Å; D23-R64 PolarHBondContact OD1-NE 2.89Å; D23-R64 IonicContact OD1-NH2 2.69Å; D23-R67 IonicContact OD2-CZ 3.43Å; D23-R67 IonicContact OD2-NH1 2.65Å; D23-R67 PolarHBondContact OD2-NH1 3.32Å; D23-R67 IonicContact OD2-NH2 3.37Å; D23-R67 PolarHBondContact OD2-NH2 3.36Å
24K90.5Very high88.5Confident128 Ų12833.9 Ų33.956%0.55719%0.193SC*.BIsolated β-bridgetrans-53.8125.1-179.4-171.9178.4178.5-175.70110.4E14 C35E14-K24 WeakPolarHBondContact OE2-CE 3.48Å; E14-K24 IonicContact OE2-NZ 3.6Å; E14-K24 PolarHBondContact OE2-NZ 3.14Å; K24-C35 WeakPolarHBondContact O-CB 3.48Å
25S91.1Very high89.7Confident4 Ų431.3 Ų31.33%0.02818%0.182CC..PPolyproline II helixtrans-75.2162.9179.676.30000111.2I13 I16 D23I13-S25 PolarHBondContact O-OG 2.81Å; I16-S25 WeakPolarHBondContact O-CB 3.27Å; I16-S25 PolarHBondContact O-OG 2.76Å; D23-S25 PolarHBondContact O-N 3.39Å
26S86.5Confident90.6Very high27 Ų2733.5 Ų33.519%0.18919%0.191CC..  trans-127.62.2-179.162.30000113.7H29 T34 E36S26-H29 PolarHBondContact OG-NE2 2.71Å; S26-T34 PolarHBondContact N-O 3.49Å; S26-T34 PolarHBondContact OG-O 2.81Å; S26-E36 WeakPolarHBondContact CB-OE1 3.32Å; S26-E36 WeakPolarHBondContact OG-CG 3.45Å; S26-E36 PolarHBondContact OG-N 2.81Å; S26-E36 PolarHBondContact OG-OE1 2.99Å
27G84.4Confident91.1Very high10 Ų1035.1 Ų35.110%0.10321%0.207CC..EExtended strand (participates in β ladder)trans144.6-178.6-171.500000112.5I33 T34G27-I33 WeakPolarHBondContact O-CA 3.31Å; G27-T34 PolarHBondContact O-N 3.1Å
28I85.3Confident91.4Very high62 Ų6232.7 Ų32.732%0.31819%0.192SC..EExtended strand (participates in β ladder)trans-91.1120.2166.5-69.3163.9000107.6V32 I33 M93 L101I28-V32 WeakPolarHBondContact CA-O 3.24Å; I28-I33 HydrophobicContact CD1-CG1 4.35Å; I28-I33 HydrophobicContact CG1-CG1 3.7Å; I28-M93 HydrophobicContact CD1-CG 4.39Å; I28-M93 HydrophobicContact CD1-SD 3.36Å; I28-M93 WeakPolarHBondContact CD1-SD 3.21Å; I28-L101 HydrophobicContact CD1-CD2 4.14Å
29H88.3Confident91.4Very high29 Ų2935.1 Ų35.113%0.13420%0.202CC..EExtended strand (participates in β ladder)trans-124.9131.7178.4-52.7-73.7000108.7S26 G31 V32 T34 E36 K39S26-H29 PolarHBondContact OG-NE2 2.71Å; H29-G31 PolarHBondContact O-N 3.05Å; H29-G31 VanDerWaalsContact O-N 3.17Å; H29-V32 PolarHBondContact N-O 3.01Å; H29-V32 PolarHBondContact O-N 3.5Å; H29-V32 VanDerWaalsContact O-N 3.1Å; H29-V32 VanDerWaalsContact O-O 3.1Å; H29-T34 PolarHBondContact CD2-OG1 2.71Å; H29-E36 IonicContact CE1-OE1 2.68Å; H29-E36 PolarHBondContact CE1-OE1 3.07Å; H29-E36 IonicContact NE2-OE1 2.87Å; H29-E36 PolarHBondContact NE2-OE1 3.14Å; H29-K39 HydrophobicContact CB-CB 4.02Å; H29-K39 HydrophobicContact CB-CD 4.4Å; H29-K39 HydrophobicContact CB-CG 3.84Å; H29-K39 PolarHBondContact CE1-NZ 3.4Å; H29-K39 WeakPolarHBondContact ND1-CD 3.31Å; H29-K39 VanDerWaalsContact ND1-CE 3.26Å; H29-K39 WeakPolarHBondContact ND1-CE 3.35Å
30Y88.1Confident91.4Very high46 Ų4631.4 Ų31.418%0.1819%0.19CC..THydrogen-bonded Turntrans54.931.1-178.5-56-77.9000113.8K39 F42 R43 M83 S84 V88Y30-K39 HydrophobicContact CE2-CG 4.19Å; Y30-F42 HydrophobicContact CD1-CD1 4Å; Y30-F42 AromaticContact CD1-CE1 3.92Å; Y30-F42 HydrophobicContact CD1-CE1 3.92Å; Y30-F42 AromaticContact CD2-CD1 3.63Å; Y30-F42 HydrophobicContact CD2-CD1 3.63Å; Y30-F42 HydrophobicContact CD2-CE1 4.28Å; Y30-F42 HydrophobicContact CE1-CD1 4.41Å; Y30-F42 HydrophobicContact CE2-CD1 4.06Å; Y30-F42 AromaticContact CG-CD1 3.6Å; Y30-F42 HydrophobicContact CG-CD1 3.6Å; Y30-F42 AromaticContact CG-CE1 3.76Å; Y30-F42 HydrophobicContact CG-CE1 3.76Å; Y30-R43 HydrophobicContact CE2-CB 4.4Å; Y30-R43 WeakPolarHBondContact OH-CB 3.26Å; Y30-R43 WeakPolarHBondContact OH-CG 3.48Å; Y30-M83 HydrophobicContact CD2-CE 3.78Å; Y30-M83 HydrophobicContact CG-CE 4.25Å; Y30-M83 WeakPolarHBondContact O-CA 3.41Å; Y30-S84 WeakPolarHBondContact CB-O 3.33Å; Y30-S84 PolarHBondContact O-N 3.19Å; Y30-V88 HydrophobicContact CD1-CG2 3.46Å; Y30-V88 VanDerWaalsContact CD1-CG2 3.46Å; Y30-V88 HydrophobicContact CE1-CG2 3.69Å; Y30-V88 HydrophobicContact CG-CG2 4.38Å
31G83.4Confident91.4Very high38 Ų3831.8 Ų31.839%0.39219%0.191SC..THydrogen-bonded Turntrans91.3-6-179.100000116.1H29H29-G31 PolarHBondContact O-N 3.05Å; H29-G31 VanDerWaalsContact O-N 3.17Å
32V88.6Confident91.4Very high15 Ų1531.6 Ų31.69%0.09119%0.19CC..EExtended strand (participates in β ladder)trans-130.4142-173.7-172.50000112.7K19 I28 H29 T34 V81 M83K19-V32 HydrophobicContact CB-CG1 4.1Å; K19-V32 HydrophobicContact CG-CG1 4.32Å; I28-V32 WeakPolarHBondContact CA-O 3.24Å; H29-V32 PolarHBondContact N-O 3.01Å; H29-V32 PolarHBondContact O-N 3.5Å; H29-V32 VanDerWaalsContact O-N 3.1Å; H29-V32 VanDerWaalsContact O-O 3.1Å; V32-T34 HydrophobicContact CB-CG2 4.27Å; V32-T34 HydrophobicContact CG1-CG2 4.14Å; V32-T34 PolarHBondContact O-N 2.82Å; V32-T34 VanDerWaalsContact O-N 3.15Å; V32-T34 PolarHBondContact O-OG1 3.19Å; V32-V81 HydrophobicContact CG1-CG2 3.94Å; V32-V81 HydrophobicContact CG2-CG2 4.26Å; V32-V81 VanDerWaalsContact CG2-O 3.31Å; V32-V81 WeakPolarHBondContact CG2-O 3.35Å; V32-M83 HydrophobicContact CB-CG 3.86Å; V32-M83 HydrophobicContact CG2-CB 4.45Å; V32-M83 HydrophobicContact CG2-CG 3.67Å
33I90.3Very high91.4Very high19 Ų1935 Ų3510%0.09719%0.187CC..EExtended strand (participates in β ladder)trans-64.1110.9174.6-55.6167.7000109.7I13 I16 K19 G27 I28 L101I13-I33 HydrophobicContact CG2-CG2 4.02Å; I16-I33 HydrophobicContact CB-CD1 4.39Å; I16-I33 HydrophobicContact CB-CG2 4.33Å; I16-I33 HydrophobicContact CD1-CD1 3.87Å; I16-I33 HydrophobicContact CG2-CD1 3.88Å; I16-I33 HydrophobicContact CG2-CG2 4.07Å; K19-I33 PolarHBondContact N-O 2.67Å; G27-I33 WeakPolarHBondContact O-CA 3.31Å; I28-I33 HydrophobicContact CD1-CG1 4.35Å; I28-I33 HydrophobicContact CG1-CG1 3.7Å; I33-L101 HydrophobicContact CD1-CD1 3.45Å; I33-L101 VanDerWaalsContact CD1-CD1 3.45Å; I33-L101 HydrophobicContact CG1-CD1 4.18Å
34T93.4Very high91.4Very high0 Ų040.6 Ų40.60%021%0.206CC..EExtended strand (participates in β ladder)trans-143.6164.7-174.255.10000113I20 S26 G27 H29 V32 M83I20-T34 HydrophobicContact CG1-CG2 3.78Å; S26-T34 PolarHBondContact N-O 3.49Å; S26-T34 PolarHBondContact OG-O 2.81Å; G27-T34 PolarHBondContact O-N 3.1Å; H29-T34 PolarHBondContact CD2-OG1 2.71Å; V32-T34 HydrophobicContact CB-CG2 4.27Å; V32-T34 HydrophobicContact CG1-CG2 4.14Å; V32-T34 PolarHBondContact O-N 2.82Å; V32-T34 VanDerWaalsContact O-N 3.15Å; V32-T34 PolarHBondContact O-OG1 3.19Å; T34-M83 HydrophobicContact CG2-CE 4.24Å; T34-M83 HydrophobicContact CG2-SD 3.99Å
35C95.3Very high91.5Very high4 Ų434.6 Ų34.63%0.02718%0.18CC..  trans-88.3158.5171.5670000111.3C18 C21 D23 K24 G37 C38 K39 R67C18-C35 HydrophobicContact CB-CB 4.01Å; C18-C35 PolarHBondContact SG-N 3.32Å; C18-C35 VanDerWaalsContact SG-SG 3.62Å; C21-C35 VanDerWaalsContact SG-SG 3.66Å; D23-C35 HydrophobicContact CB-CB 4.47Å; K24-C35 WeakPolarHBondContact O-CB 3.48Å; C35-G37 PolarHBondContact O-N 2.71Å; C35-G37 VanDerWaalsContact O-N 3.12Å; C35-C38 PolarHBondContact O-N 2.91Å; C35-K39 PolarHBondContact O-N 2.99Å; C35-R67 PolarHBondContact SG-NH1 2.98Å
36E94.6Very high91.2Very high95 Ų9537 Ų3744%0.44419%0.191SC..Hα-helixtrans-52.4-36.4177.3-70-57.3121.700112.9S26 H29 C38 K39 G40S26-E36 WeakPolarHBondContact CB-OE1 3.32Å; S26-E36 WeakPolarHBondContact OG-CG 3.45Å; S26-E36 PolarHBondContact OG-N 2.81Å; S26-E36 PolarHBondContact OG-OE1 2.99Å; H29-E36 IonicContact CE1-OE1 2.68Å; H29-E36 PolarHBondContact CE1-OE1 3.07Å; H29-E36 IonicContact NE2-OE1 2.87Å; H29-E36 PolarHBondContact NE2-OE1 3.14Å; E36-C38 VanDerWaalsContact C-N 3.34Å; E36-C38 PolarHBondContact O-N 3.19Å; E36-K39 PolarHBondContact O-N 2.96Å; E36-K39 WeakPolarHBondContact OE1-CD 3.37Å; E36-K39 IonicContact OE1-NZ 2.74Å; E36-K39 PolarHBondContact OE1-NZ 3.29Å; E36-K39 WeakPolarHBondContact OE2-CD 3.46Å; E36-K39 WeakPolarHBondContact OE2-CE 3.47Å; E36-K39 IonicContact OE2-NZ 3.19Å; E36-K39 PolarHBondContact OE2-NZ 3.3Å; E36-G40 PolarHBondContact O-N 3.47Å
37G96Very high91Very high34 Ų3442.2 Ų42.235%0.35121%0.212SC..Hα-helixtrans-63.6-34177.700000114.1C35 F41 R74C35-G37 PolarHBondContact O-N 2.71Å; C35-G37 VanDerWaalsContact O-N 3.12Å; G37-F41 WeakPolarHBondContact O-CB 3.44Å; G37-F41 PolarHBondContact O-N 2.87Å; G37-R74 PolarHBondContact O-NH2 3.24Å; G37-R74 VanDerWaalsContact O-NH2 3.11Å
38C97.2Very high90.5Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-87.6-35.1177.3-72.30000112.6I20 C21 C35 E36 F41 F42 R74I20-C38 HydrophobicContact CB-CB 4.22Å; I20-C38 HydrophobicContact CG1-CB 4.17Å; I20-C38 HydrophobicContact CG2-CB 4.4Å; C21-C38 VanDerWaalsContact SG-SG 3.63Å; C35-C38 PolarHBondContact O-N 2.91Å; E36-C38 VanDerWaalsContact C-N 3.34Å; E36-C38 PolarHBondContact O-N 3.19Å; C38-F41 PolarHBondContact O-N 3.49Å; C38-F42 WeakPolarHBondContact O-CB 3.46Å; C38-F42 PolarHBondContact O-N 3.36Å; C38-R74 PolarHBondContact SG-NH2 3.04Å; C38-R74 VanDerWaalsContact SG-NH2 3.39Å
39K94.9Very high89.9Confident54 Ų5449.9 Ų49.924%0.23526%0.258CS..Hα-helixtrans-54.1-53.9167.2171.6-158.4-168.5-179.90111.6H29 Y30 C35 E36 F41 F42 R43H29-K39 HydrophobicContact CB-CB 4.02Å; H29-K39 HydrophobicContact CB-CD 4.4Å; H29-K39 HydrophobicContact CB-CG 3.84Å; H29-K39 PolarHBondContact CE1-NZ 3.4Å; H29-K39 WeakPolarHBondContact ND1-CD 3.31Å; H29-K39 VanDerWaalsContact ND1-CE 3.26Å; H29-K39 WeakPolarHBondContact ND1-CE 3.35Å; Y30-K39 HydrophobicContact CE2-CG 4.19Å; C35-K39 PolarHBondContact O-N 2.99Å; E36-K39 PolarHBondContact O-N 2.96Å; E36-K39 WeakPolarHBondContact OE1-CD 3.37Å; E36-K39 IonicContact OE1-NZ 2.74Å; E36-K39 PolarHBondContact OE1-NZ 3.29Å; E36-K39 WeakPolarHBondContact OE2-CD 3.46Å; E36-K39 WeakPolarHBondContact OE2-CE 3.47Å; E36-K39 IonicContact OE2-NZ 3.19Å; E36-K39 PolarHBondContact OE2-NZ 3.3Å; K39-F41 PolarHBondContact O-N 2.93Å; K39-F42 PolarHBondContact O-N 2.7Å; K39-R43 WeakPolarHBondContact O-CB 3.24Å; K39-R43 PolarHBondContact O-N 3.38Å
40G94.4Very high89.3Confident13 Ų1349.6 Ų49.613%0.13426%0.261CS..Hα-helixtrans-66.1-35.5-179.300000113.4E36 R44E36-G40 PolarHBondContact O-N 3.47Å; G40-R44 WeakPolarHBondContact O-CG 3.39Å; G40-R44 PolarHBondContact O-N 3.12Å
41F96.4Very high89Confident9 Ų952.4 Ų52.44%0.03929%0.293CS..Hα-helixtrans-62.4-54.7171.8172.3-98.6000111.3G37 C38 K39 R43 R44 S45 Y52 Q71 R74 L75G37-F41 WeakPolarHBondContact O-CB 3.44Å; G37-F41 PolarHBondContact O-N 2.87Å; C38-F41 PolarHBondContact O-N 3.49Å; K39-F41 PolarHBondContact O-N 2.93Å; F41-R43 VanDerWaalsContact C-N 3.33Å; F41-R43 PolarHBondContact O-N 3.28Å; F41-R44 PolarHBondContact O-N 3.3Å; F41-S45 PolarHBondContact O-N 3.04Å; F41-S45 PolarHBondContact O-OG 3.15Å; F41-Y52 AromaticContact CE2-CE2 3.97Å; F41-Y52 HydrophobicContact CE2-CE2 3.97Å; F41-Y52 HydrophobicContact CZ-CD2 4.34Å; F41-Y52 AromaticContact CZ-CE2 3.71Å; F41-Y52 HydrophobicContact CZ-CE2 3.71Å; F41-Q71 HydrophobicContact CE2-CB 4.05Å; F41-Q71 HydrophobicContact CE2-CG 4.09Å; F41-Q71 HydrophobicContact CZ-CB 4.2Å; F41-Q71 WeakPolarHBondContact CZ-O 3.49Å; F41-R74 HydrophobicContact CD1-CG 3.9Å; F41-R74 HydrophobicContact CE1-CB 3.92Å; F41-R74 HydrophobicContact CE1-CG 3.7Å; F41-R74 HydrophobicContact CZ-CB 4.08Å; F41-R74 HydrophobicContact CZ-CG 4.23Å; F41-L75 HydrophobicContact CE1-CB 3.9Å; F41-L75 HydrophobicContact CE1-CD1 4.33Å; F41-L75 HydrophobicContact CZ-CB 4.03Å
42F95.1Very high89.4Confident0 Ų052.9 Ų52.90%028%0.284CS..Hα-helixtrans-58.3-44.2-179.1-173.1-103000112Y30 C38 K39 R44 S45 Q46 L75 C78 L79 M83Y30-F42 HydrophobicContact CD1-CD1 4Å; Y30-F42 AromaticContact CD1-CE1 3.92Å; Y30-F42 HydrophobicContact CD1-CE1 3.92Å; Y30-F42 AromaticContact CD2-CD1 3.63Å; Y30-F42 HydrophobicContact CD2-CD1 3.63Å; Y30-F42 HydrophobicContact CD2-CE1 4.28Å; Y30-F42 HydrophobicContact CE1-CD1 4.41Å; Y30-F42 HydrophobicContact CE2-CD1 4.06Å; Y30-F42 AromaticContact CG-CD1 3.6Å; Y30-F42 HydrophobicContact CG-CD1 3.6Å; Y30-F42 AromaticContact CG-CE1 3.76Å; Y30-F42 HydrophobicContact CG-CE1 3.76Å; C38-F42 WeakPolarHBondContact O-CB 3.46Å; C38-F42 PolarHBondContact O-N 3.36Å; K39-F42 PolarHBondContact O-N 2.7Å; F42-R44 PolarHBondContact O-N 3.18Å; F42-S45 PolarHBondContact O-N 3.08Å; F42-Q46 HydrophobicContact CD1-CG 4.11Å; F42-Q46 HydrophobicContact CD2-CG 4.23Å; F42-Q46 HydrophobicContact CE1-CG 3.8Å; F42-Q46 HydrophobicContact CE2-CG 3.93Å; F42-Q46 HydrophobicContact CG-CG 4.33Å; F42-Q46 HydrophobicContact CZ-CG 3.69Å; F42-Q46 WeakPolarHBondContact O-CB 3.24Å; F42-Q46 VanDerWaalsContact O-CG 3.27Å; F42-Q46 WeakPolarHBondContact O-CG 3.33Å; F42-Q46 PolarHBondContact O-N 3.24Å; F42-L75 HydrophobicContact CD2-CD1 3.98Å; F42-L75 HydrophobicContact CE2-CD1 4.27Å; F42-C78 HydrophobicContact CD2-CB 3.62Å; F42-C78 HydrophobicContact CE2-CB 4.06Å; F42-L79 HydrophobicContact CE2-CD2 3.85Å; F42-L79 HydrophobicContact CE2-CG 4.4Å; F42-L79 HydrophobicContact CZ-CD2 4.24Å; F42-M83 HydrophobicContact CB-CE 3.78Å; F42-M83 HydrophobicContact CB-SD 4.43Å; F42-M83 HydrophobicContact CD1-CB 4.34Å; F42-M83 HydrophobicContact CD1-CE 3.9Å; F42-M83 HydrophobicContact CD2-CB 4.11Å; F42-M83 HydrophobicContact CD2-CE 4.4Å; F42-M83 HydrophobicContact CD2-SD 4.35Å; F42-M83 HydrophobicContact CE1-CB 3.99Å; F42-M83 HydrophobicContact CE2-CB 3.75Å; F42-M83 HydrophobicContact CG-CB 4.39Å; F42-M83 HydrophobicContact CG-CE 3.77Å; F42-M83 HydrophobicContact CG-SD 4.29Å; F42-M83 HydrophobicContact CZ-CB 3.69Å; F42-M83 WeakPolarHBondContact CZ-O 3.48Å
43R93.1Very high89.5Confident123 Ų12357.4 Ų57.446%0.46432%0.316SS..Hα-helixtrans-53.7-51.1176.1-172.5176.274.2-171.82.6112.1Y30 K39 F41 Q46 Q47Y30-R43 HydrophobicContact CE2-CB 4.4Å; Y30-R43 WeakPolarHBondContact OH-CB 3.26Å; Y30-R43 WeakPolarHBondContact OH-CG 3.48Å; K39-R43 WeakPolarHBondContact O-CB 3.24Å; K39-R43 PolarHBondContact O-N 3.38Å; F41-R43 VanDerWaalsContact C-N 3.33Å; F41-R43 PolarHBondContact O-N 3.28Å; R43-Q46 PolarHBondContact O-N 3.26Å; R43-Q47 WeakPolarHBondContact O-CB 3.44Å; R43-Q47 VanDerWaalsContact O-CG 3.28Å; R43-Q47 WeakPolarHBondContact O-CG 3.26Å; R43-Q47 PolarHBondContact O-N 2.85Å
44R93.1Very high89.7Confident142 Ų14257.5 Ų57.554%0.53632%0.318SS..Hα-helixtrans-63.9-48.7-180-72.3-172.9-63-95.22.4111.6G40 F41 F42 Q46 Q47 S48G40-R44 WeakPolarHBondContact O-CG 3.39Å; G40-R44 PolarHBondContact O-N 3.12Å; F41-R44 PolarHBondContact O-N 3.3Å; F42-R44 PolarHBondContact O-N 3.18Å; R44-Q46 PolarHBondContact O-N 3.33Å; R44-Q47 PolarHBondContact O-N 3.44Å; R44-Q47 VanDerWaalsContact O-N 3.12Å; R44-S48 PolarHBondContact O-N 3Å; R44-S48 PolarHBondContact O-OG 3.32Å
45S91.8Very high89.4Confident2 Ų262.5 Ų62.51%0.01435%0.35CS..Hα-helixtrans-59.2-33.9-178.6-51.30000113.1F41 F42 N49 A50 Y52F41-S45 PolarHBondContact O-N 3.04Å; F41-S45 PolarHBondContact O-OG 3.15Å; F42-S45 PolarHBondContact O-N 3.08Å; S45-N49 PolarHBondContact O-N 2.93Å; S45-A50 PolarHBondContact O-N 3.35Å; S45-Y52 VanDerWaalsContact OG-CE2 3.27Å; S45-Y52 WeakPolarHBondContact OG-CE2 3.17Å; S45-Y52 PolarHBondContact OG-OH 3.42Å
46Q85.9Confident89.2Confident54 Ų5470.7 Ų70.725%0.25238%0.381SS..Hα-helixtrans-84.5-23.4178.1-70.5-70-54.300114.1F42 R43 R44 R85F42-Q46 HydrophobicContact CD1-CG 4.11Å; F42-Q46 HydrophobicContact CD2-CG 4.23Å; F42-Q46 HydrophobicContact CE1-CG 3.8Å; F42-Q46 HydrophobicContact CE2-CG 3.93Å; F42-Q46 HydrophobicContact CG-CG 4.33Å; F42-Q46 HydrophobicContact CZ-CG 3.69Å; F42-Q46 WeakPolarHBondContact O-CB 3.24Å; F42-Q46 VanDerWaalsContact O-CG 3.27Å; F42-Q46 WeakPolarHBondContact O-CG 3.33Å; F42-Q46 PolarHBondContact O-N 3.24Å; R43-Q46 PolarHBondContact O-N 3.26Å; R44-Q46 PolarHBondContact O-N 3.33Å; Q46-R85 HydrophobicContact CB-CG 4.31Å; Q46-R85 HydrophobicContact CG-CG 4.48Å
47Q80.4Confident89Confident138 Ų13875.1 Ų75.165%0.64540%0.402SS*.Hα-helixtrans-79.9-41.7176.1-80.1175.2-39.300112.3R43 R44R43-Q47 WeakPolarHBondContact O-CB 3.44Å; R43-Q47 VanDerWaalsContact O-CG 3.28Å; R43-Q47 WeakPolarHBondContact O-CG 3.26Å; R43-Q47 PolarHBondContact O-N 2.85Å; R44-Q47 PolarHBondContact O-N 3.44Å; R44-Q47 VanDerWaalsContact O-N 3.12Å
48S75.8Confident88.7Confident86 Ų8680.2 Ų80.260%0.60141%0.414SS*.THydrogen-bonded Turntrans-95.611-178.873.30000113.9R44 A50R44-S48 PolarHBondContact O-N 3Å; R44-S48 PolarHBondContact O-OG 3.32Å; S48-A50 VanDerWaalsContact C-N 3.26Å; S48-A50 PolarHBondContact O-N 2.88Å
49N71.9Confident88.5Confident147 Ų14787.3 Ų87.379%0.78645%0.452SS*.THydrogen-bonded Turntrans42.648.8-172.8-158.429.3000113.5S45 A51S45-N49 PolarHBondContact O-N 2.93Å; N49-A51 PolarHBondContact O-N 2.96Å
50A74.5Confident88.5Confident22 Ų2285.8 Ų85.818%0.18245%0.448CS..  trans-69.4113-163.700000113.4S45 S48 Y52S45-A50 PolarHBondContact O-N 3.35Å; S48-A50 VanDerWaalsContact C-N 3.26Å; S48-A50 PolarHBondContact O-N 2.88Å; A50-Y52 HydrophobicContact CB-CD1 4.43Å; A50-Y52 HydrophobicContact CB-CE1 3.79Å; A50-Y52 HydrophobicContact CB-CE2 3.92Å; A50-Y52 VanDerWaalsContact CB-CZ 3.49Å; A50-Y52 PolarHBondContact O-N 3.18Å; A50-Y52 VanDerWaalsContact O-N 3.15Å
51A82.4Confident88.4Confident105 Ų10591.6 Ų91.687%0.86848%0.475SS*.  trans-80.588.1173.100000111.4N49N49-A51 PolarHBondContact O-N 2.96Å
52Y91.9Very high88.4Confident48 Ų4891.6 Ų91.619%0.18848%0.475CS..PPolyproline II helixtrans-82.7140.6173-53.3-58.8000112F41 S45 A50 Q71 H72 L75F41-Y52 AromaticContact CE2-CE2 3.97Å; F41-Y52 HydrophobicContact CE2-CE2 3.97Å; F41-Y52 HydrophobicContact CZ-CD2 4.34Å; F41-Y52 AromaticContact CZ-CE2 3.71Å; F41-Y52 HydrophobicContact CZ-CE2 3.71Å; S45-Y52 VanDerWaalsContact OG-CE2 3.27Å; S45-Y52 WeakPolarHBondContact OG-CE2 3.17Å; S45-Y52 PolarHBondContact OG-OH 3.42Å; A50-Y52 HydrophobicContact CB-CD1 4.43Å; A50-Y52 HydrophobicContact CB-CE1 3.79Å; A50-Y52 HydrophobicContact CB-CE2 3.92Å; A50-Y52 VanDerWaalsContact CB-CZ 3.49Å; A50-Y52 PolarHBondContact O-N 3.18Å; A50-Y52 VanDerWaalsContact O-N 3.15Å; Y52-Q71 HydrophobicContact CD1-CB 3.64Å; Y52-Q71 HydrophobicContact CD1-CG 4.4Å; Y52-Q71 HydrophobicContact CD2-CB 3.85Å; Y52-Q71 HydrophobicContact CE1-CB 3.96Å; Y52-Q71 HydrophobicContact CE1-CG 4.39Å; Y52-Q71 VanDerWaalsContact CE1-OE1 3.25Å; Y52-Q71 HydrophobicContact CE2-CB 4.13Å; Y52-Q71 HydrophobicContact CG-CB 3.59Å; Y52-H72 PolarHBondContact O-ND1 3.31Å; Y52-L75 HydrophobicContact CD2-CB 4.2Å; Y52-L75 HydrophobicContact CD2-CD2 3.87Å; Y52-L75 HydrophobicContact CE2-CB 4.41Å; Y52-L75 HydrophobicContact CE2-CD2 3.98Å
53S91.9Very high88.4Confident110 Ų11093.8 Ų93.877%0.76949%0.487SS*.PPolyproline II helixtrans-102.1147.8168.2-690000111.3
54C94.1Very high88.4Confident22 Ų2296 Ų9615%0.14950%0.496CS..PPolyproline II helixtrans-90.2128.8171.9-172.60000109.8R56 K58 C60 C70 H72 C73C54-R56 PolarHBondContact O-N 2.97Å; C54-R56 VanDerWaalsContact O-N 3.15Å; C54-R56 PolarHBondContact SG-N 3.3Å; C54-R56 VanDerWaalsContact SG-N 3.41Å; C54-R56 PolarHBondContact SG-O 2.98Å; C54-K58 HydrophobicContact CB-CG 3.82Å; C54-C60 VanDerWaalsContact SG-SG 3.69Å; C54-C70 PolarHBondContact SG-SG 3.17Å; C54-H72 HydrophobicContact CB-CB 4.01Å; C54-C73 PolarHBondContact SG-SG 3.33Å
55P87.3Confident88.4Confident104 Ų10494.3 Ų94.368%0.67550%0.501SS*.SBendtrans-78.213.9174.333.8-36.4000113.2
56R90.8Very high88.5Confident176 Ų17694.5 Ų94.566%0.66450%0.503SS*.SBendtrans-147.4-171.6-176.4-57.5-173.9-173.2-177.1-2.2109.2C54 K58C54-R56 PolarHBondContact O-N 2.97Å; C54-R56 VanDerWaalsContact O-N 3.15Å; C54-R56 PolarHBondContact SG-N 3.3Å; C54-R56 VanDerWaalsContact SG-N 3.41Å; C54-R56 PolarHBondContact SG-O 2.98Å; R56-K58 PolarHBondContact O-N 3.32Å
57Q90.4Very high88.9Confident189 Ų18994 Ų9488%0.88350%0.499SS*.SBendtrans-69.934.7-179.2-58.8173.3-4.800115.3N59Q57-N59 PolarHBondContact O-N 2.95Å
58K90.1Very high89.5Confident141 Ų14193.2 Ų93.261%0.61350%0.499SS*.SBendtrans54.24.2179-65-179.6176.6174.90117.5C54 R56 C73C54-K58 HydrophobicContact CB-CG 3.82Å; R56-K58 PolarHBondContact O-N 3.32Å; K58-C73 PolarHBondContact O-SG 2.99Å
59N92.3Very high90.4Very high149 Ų14997.6 Ų97.680%0.79750%0.502SS*.  trans-112.754.6179.2-168.218.5000112Q57Q57-N59 PolarHBondContact O-N 2.95Å
60C94.4Very high91.5Very high22 Ų2290.8 Ų90.815%0.14947%0.466CS..  trans-81.1130.1177.7-60.10000110.4C54 I62 C70 C73C54-C60 VanDerWaalsContact SG-SG 3.69Å; C60-I62 PolarHBondContact O-N 3.37Å; C60-C70 HydrophobicContact CB-CB 4.02Å; C60-C73 HydrophobicContact CB-CB 3.76Å
61L93.4Very high92.5Very high135 Ų13594.7 Ų94.771%0.70748%0.481SS*.  trans-55135.3167-168.275.2000110D63 S66L61-D63 WeakPolarHBondContact CD2-OD2 3.47Å; L61-S66 PolarHBondContact O-OG 3.35Å
62I96.8Very high93.1Very high8 Ų891.1 Ų91.14%0.04145%0.446CS..  trans-122.3102176.8-55.9-62.2000108.1I20 C21 C60 R67 C73 R74 K77I20-I62 HydrophobicContact CG2-CG2 4.05Å; I20-I62 WeakPolarHBondContact O-CG2 3.44Å; C21-I62 HydrophobicContact CB-CG2 4.13Å; C60-I62 PolarHBondContact O-N 3.37Å; I62-R67 HydrophobicContact CG2-CB 3.97Å; I62-C73 HydrophobicContact CD1-CB 4.15Å; I62-R74 HydrophobicContact CD1-CB 4.03Å; I62-R74 HydrophobicContact CG2-CG 4.29Å; I62-K77 HydrophobicContact CB-CD 3.87Å; I62-K77 HydrophobicContact CG1-CD 4.18Å; I62-K77 HydrophobicContact CG2-CD 4.32Å; I62-K77 PolarHBondContact O-NZ 3.34Å
63D94.3Very high93.3Very high47 Ų4789.1 Ų89.125%0.25144%0.439SS..  trans-126.9-176.1175.366.562.6000110.9C21 L61 T65 S66 R67C21-D63 CarbonylContact O-C 3.19Å; C21-D63 WeakPolarHBondContact O-CA 3.42Å; L61-D63 WeakPolarHBondContact CD2-OD2 3.47Å; D63-T65 VanDerWaalsContact C-N 3.26Å; D63-T65 PolarHBondContact O-N 2.9Å; D63-T65 WeakPolarHBondContact OD1-CA 3.4Å; D63-T65 PolarHBondContact OD1-N 3.48Å; D63-T65 PolarHBondContact OD1-OG1 2.95Å; D63-S66 PolarHBondContact N-OG 3.27Å; D63-S66 PolarHBondContact O-N 3.31Å; D63-S66 PolarHBondContact OD1-N 2.85Å; D63-S66 PolarHBondContact OD1-OG 3.25Å; D63-S66 WeakPolarHBondContact OD2-CB 3.49Å; D63-S66 PolarHBondContact OD2-OG 2.92Å; D63-R67 WeakPolarHBondContact O-CB 3.3Å; D63-R67 WeakPolarHBondContact O-CG 3.21Å; D63-R67 PolarHBondContact O-N 2.97Å
64R93.3Very high93.6Very high169 Ų16984.4 Ų84.464%0.63840%0.404SS*.THydrogen-bonded Turntrans-57.4-36.1-175.8-172.6175.6-173.1-143.6-6.7113.1C21 D23 R67C21-R64 PolarHBondContact O-N 3.34Å; D23-R64 HydrophobicContact CB-CB 4.42Å; D23-R64 HydrophobicContact CB-CG 4.03Å; D23-R64 WeakPolarHBondContact OD1-CD 3.41Å; D23-R64 IonicContact OD1-CZ 3.26Å; D23-R64 IonicContact OD1-NE 2.66Å; D23-R64 PolarHBondContact OD1-NE 2.89Å; D23-R64 IonicContact OD1-NH2 2.69Å; R64-R67 PolarHBondContact O-NE 2.95Å
65T93.6Very high93.6Very high107 Ų10784.2 Ų84.266%0.65640%0.402SS*.THydrogen-bonded Turntrans-92.7-35.2-177.170.90000112.5D63D63-T65 VanDerWaalsContact C-N 3.26Å; D63-T65 PolarHBondContact O-N 2.9Å; D63-T65 WeakPolarHBondContact OD1-CA 3.4Å; D63-T65 PolarHBondContact OD1-N 3.48Å; D63-T65 PolarHBondContact OD1-OG1 2.95Å
66S92.8Very high94Very high6 Ų684 Ų844%0.04239%0.391CS..THydrogen-bonded Turntrans-93.3-14.1-172.866.80000114.5L61 D63 N68 R69L61-S66 PolarHBondContact O-OG 3.35Å; D63-S66 PolarHBondContact N-OG 3.27Å; D63-S66 PolarHBondContact O-N 3.31Å; D63-S66 PolarHBondContact OD1-N 2.85Å; D63-S66 PolarHBondContact OD1-OG 3.25Å; D63-S66 WeakPolarHBondContact OD2-CB 3.49Å; D63-S66 PolarHBondContact OD2-OG 2.92Å; S66-N68 PolarHBondContact O-N 3.36Å; S66-R69 VanDerWaalsContact O-CB 3.29Å; S66-R69 WeakPolarHBondContact O-CB 3.39Å; S66-R69 WeakPolarHBondContact O-CG 3.35Å; S66-R69 PolarHBondContact O-N 2.89Å
67R93.9Very high94.2Very high44 Ų4479 Ų7917%0.16638%0.375CS..THydrogen-bonded Turntrans-53-19.2-175.860.7-173.9-178.1-173.1-6.3116.7C21 D23 C35 I62 D63 R64 R74C21-R67 HydrophobicContact CB-CB 4.14Å; C21-R67 PolarHBondContact SG-NH1 3.48Å; D23-R67 IonicContact OD2-CZ 3.43Å; D23-R67 IonicContact OD2-NH1 2.65Å; D23-R67 PolarHBondContact OD2-NH1 3.32Å; D23-R67 IonicContact OD2-NH2 3.37Å; D23-R67 PolarHBondContact OD2-NH2 3.36Å; C35-R67 PolarHBondContact SG-NH1 2.98Å; I62-R67 HydrophobicContact CG2-CB 3.97Å; D63-R67 WeakPolarHBondContact O-CB 3.3Å; D63-R67 WeakPolarHBondContact O-CG 3.21Å; D63-R67 PolarHBondContact O-N 2.97Å; R64-R67 PolarHBondContact O-NE 2.95Å; R67-R74 VanDerWaalsContact O-CD 3.31Å; R67-R74 WeakPolarHBondContact O-CD 3.07Å; R67-R74 PolarHBondContact O-NH1 3.12Å
68N94.1Very high94.5Very high121 Ų12170 Ų7065%0.64733%0.333SS*.THydrogen-bonded Turntrans-93.8-11.8177.4-64.9-19000113.2S66 C70 R74S66-N68 PolarHBondContact O-N 3.36Å; N68-C70 PolarHBondContact O-N 3Å; N68-R74 PolarHBondContact OD1-NH1 3.37Å
69R94.7Very high94.7Very high177 Ų17766.8 Ų66.867%0.66832%0.322SS*.SBendtrans-72.5-22.7-175-61.8178.7-178.4172.1-2.6114.4S66S66-R69 VanDerWaalsContact O-CB 3.29Å; S66-R69 WeakPolarHBondContact O-CB 3.39Å; S66-R69 WeakPolarHBondContact O-CG 3.35Å; S66-R69 PolarHBondContact O-N 2.89Å
70C95.6Very high94.7Very high5 Ų563.9 Ų63.93%0.03432%0.318CS..  trans-150109.2175.2-176.90000111.6C54 C60 N68 C73 R74C54-C70 PolarHBondContact SG-SG 3.17Å; C60-C70 HydrophobicContact CB-CB 4.02Å; N68-C70 PolarHBondContact O-N 3Å; C70-C73 HydrophobicContact CB-CB 4.26Å; C70-C73 PolarHBondContact SG-N 3.26Å; C70-C73 PolarHBondContact SG-SG 3.22Å; C70-R74 WeakPolarHBondContact O-CB 3.37Å; C70-R74 PolarHBondContact O-N 2.87Å
71Q94.9Very high94.6Very high104 Ų10465.7 Ų65.749%0.48633%0.328SS..Hα-helixtrans-69-36.6179.5-64.9171.2-28.600112.1F41 Y52 R74 L75F41-Q71 HydrophobicContact CE2-CB 4.05Å; F41-Q71 HydrophobicContact CE2-CG 4.09Å; F41-Q71 HydrophobicContact CZ-CB 4.2Å; F41-Q71 WeakPolarHBondContact CZ-O 3.49Å; Y52-Q71 HydrophobicContact CD1-CB 3.64Å; Y52-Q71 HydrophobicContact CD1-CG 4.4Å; Y52-Q71 HydrophobicContact CD2-CB 3.85Å; Y52-Q71 HydrophobicContact CE1-CB 3.96Å; Y52-Q71 HydrophobicContact CE1-CG 4.39Å; Y52-Q71 VanDerWaalsContact CE1-OE1 3.25Å; Y52-Q71 HydrophobicContact CE2-CB 4.13Å; Y52-Q71 HydrophobicContact CG-CB 3.59Å; Q71-R74 PolarHBondContact O-N 3.3Å; Q71-L75 WeakPolarHBondContact O-CB 3.43Å; Q71-L75 PolarHBondContact O-N 3.22Å
72H95.3Very high94.4Very high29 Ų2961.4 Ų61.413%0.13432%0.317CS..Hα-helixtrans-58.5-56.6176.8-17891.4000111.9Y52 C54 R74 L75 Q76Y52-H72 PolarHBondContact O-ND1 3.31Å; C54-H72 HydrophobicContact CB-CB 4.01Å; H72-R74 VanDerWaalsContact C-N 3.27Å; H72-R74 PolarHBondContact O-N 3.47Å; H72-L75 PolarHBondContact O-N 2.81Å; H72-Q76 WeakPolarHBondContact O-CB 3.41Å; H72-Q76 WeakPolarHBondContact O-CG 3.28Å; H72-Q76 PolarHBondContact O-N 3.32Å
73C95.9Very high94.2Very high7 Ų761.2 Ų61.25%0.04732%0.316CS..Hα-helixtrans-63.1-33.9-179.9-58.70000112.1C54 K58 C60 I62 C70 K77C54-C73 PolarHBondContact SG-SG 3.33Å; K58-C73 PolarHBondContact O-SG 2.99Å; C60-C73 HydrophobicContact CB-CB 3.76Å; I62-C73 HydrophobicContact CD1-CB 4.15Å; C70-C73 HydrophobicContact CB-CB 4.26Å; C70-C73 PolarHBondContact SG-N 3.26Å; C70-C73 PolarHBondContact SG-SG 3.22Å; C73-K77 WeakPolarHBondContact O-CB 3.43Å; C73-K77 PolarHBondContact O-N 3Å
74R96.9Very high93.9Very high11 Ų1161.3 Ų61.34%0.04232%0.321CS..Hα-helixtrans-64.9-45.8174.3-168.5-172.3-168.1157.2-8.7112.1I20 G37 C38 F41 I62 R67 N68 C70 Q71 H72 K77 C78I20-R74 HydrophobicContact CG2-CG 4.35Å; G37-R74 PolarHBondContact O-NH2 3.24Å; G37-R74 VanDerWaalsContact O-NH2 3.11Å; C38-R74 PolarHBondContact SG-NH2 3.04Å; C38-R74 VanDerWaalsContact SG-NH2 3.39Å; F41-R74 HydrophobicContact CD1-CG 3.9Å; F41-R74 HydrophobicContact CE1-CB 3.92Å; F41-R74 HydrophobicContact CE1-CG 3.7Å; F41-R74 HydrophobicContact CZ-CB 4.08Å; F41-R74 HydrophobicContact CZ-CG 4.23Å; I62-R74 HydrophobicContact CD1-CB 4.03Å; I62-R74 HydrophobicContact CG2-CG 4.29Å; R67-R74 VanDerWaalsContact O-CD 3.31Å; R67-R74 WeakPolarHBondContact O-CD 3.07Å; R67-R74 PolarHBondContact O-NH1 3.12Å; N68-R74 PolarHBondContact OD1-NH1 3.37Å; C70-R74 WeakPolarHBondContact O-CB 3.37Å; C70-R74 PolarHBondContact O-N 2.87Å; Q71-R74 PolarHBondContact O-N 3.3Å; H72-R74 VanDerWaalsContact C-N 3.27Å; H72-R74 PolarHBondContact O-N 3.47Å; R74-K77 PolarHBondContact O-N 3.42Å; R74-C78 PolarHBondContact O-N 3.13Å; R74-C78 PolarHBondContact O-SG 3.22Å
75L95.1Very high93.4Very high18 Ų1860.4 Ų60.49%0.09432%0.317CS..Hα-helixtrans-67-43.4178.8-177.261.6000111.5F41 F42 Y52 Q71 H72 K77 C78 L79F41-L75 HydrophobicContact CE1-CB 3.9Å; F41-L75 HydrophobicContact CE1-CD1 4.33Å; F41-L75 HydrophobicContact CZ-CB 4.03Å; F42-L75 HydrophobicContact CD2-CD1 3.98Å; F42-L75 HydrophobicContact CE2-CD1 4.27Å; Y52-L75 HydrophobicContact CD2-CB 4.2Å; Y52-L75 HydrophobicContact CD2-CD2 3.87Å; Y52-L75 HydrophobicContact CE2-CB 4.41Å; Y52-L75 HydrophobicContact CE2-CD2 3.98Å; Q71-L75 WeakPolarHBondContact O-CB 3.43Å; Q71-L75 PolarHBondContact O-N 3.22Å; H72-L75 PolarHBondContact O-N 2.81Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 2.89Å; L75-C78 WeakPolarHBondContact O-CB 3.42Å; L75-C78 PolarHBondContact O-N 3.18Å; L75-C78 VanDerWaalsContact O-N 3.14Å; L75-L79 HydrophobicContact CG-CD1 4.32Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.21Å
76Q94.8Very high92.6Very high98 Ų9859.5 Ų59.546%0.45831%0.308SS..Hα-helixtrans-57.7-44.3173.6-72.2-62.7-34.500111.3H72 C78 L79 A80H72-Q76 WeakPolarHBondContact O-CB 3.41Å; H72-Q76 WeakPolarHBondContact O-CG 3.28Å; H72-Q76 PolarHBondContact O-N 3.32Å; Q76-C78 PolarHBondContact O-N 2.83Å; Q76-L79 PolarHBondContact O-N 3.25Å; Q76-A80 VanDerWaalsContact O-CB 3.29Å; Q76-A80 WeakPolarHBondContact O-CB 3.31Å; Q76-A80 PolarHBondContact O-N 2.69Å
77K96.5Very high91.5Very high73 Ų7361.1 Ų61.132%0.31732%0.322SS..Hα-helixtrans-62.7-38.7174.6-167.7174.1-176.7-176.20112.7I20 I62 C73 R74 L75 V81I20-K77 HydrophobicContact CG2-CD 4.49Å; I20-K77 WeakPolarHBondContact O-CD 3.12Å; I20-K77 WeakPolarHBondContact O-CE 3.2Å; I20-K77 PolarHBondContact O-NZ 3.29Å; I62-K77 HydrophobicContact CB-CD 3.87Å; I62-K77 HydrophobicContact CG1-CD 4.18Å; I62-K77 HydrophobicContact CG2-CD 4.32Å; I62-K77 PolarHBondContact O-NZ 3.34Å; C73-K77 WeakPolarHBondContact O-CB 3.43Å; C73-K77 PolarHBondContact O-N 3Å; R74-K77 PolarHBondContact O-N 3.42Å; L75-K77 VanDerWaalsContact C-N 3.32Å; L75-K77 PolarHBondContact O-N 2.89Å; K77-V81 WeakPolarHBondContact O-CG2 3.45Å; K77-V81 PolarHBondContact O-N 3.06Å
78C95.4Very high89.9Confident0 Ų063.2 Ų63.20%034%0.34CS..Hα-helixtrans-59.8-46.7174-680000112.5I20 F42 R74 L75 Q76 V81 M83I20-C78 HydrophobicContact CD1-CB 4.29Å; F42-C78 HydrophobicContact CD2-CB 3.62Å; F42-C78 HydrophobicContact CE2-CB 4.06Å; R74-C78 PolarHBondContact O-N 3.13Å; R74-C78 PolarHBondContact O-SG 3.22Å; L75-C78 WeakPolarHBondContact O-CB 3.42Å; L75-C78 PolarHBondContact O-N 3.18Å; L75-C78 VanDerWaalsContact O-N 3.14Å; Q76-C78 PolarHBondContact O-N 2.83Å; C78-V81 WeakPolarHBondContact O-CG2 3.35Å; C78-M83 HydrophobicContact CB-CB 4.32Å; C78-M83 HydrophobicContact CB-CG 4.28Å; C78-M83 HydrophobicContact CB-SD 3.63Å; C78-M83 VanDerWaalsContact O-CB 3.25Å; C78-M83 WeakPolarHBondContact O-CB 3.5Å; C78-M83 WeakPolarHBondContact O-CG 3.46Å; C78-M83 PolarHBondContact O-N 2.91Å
79L94.1Very high87.9Confident73 Ų7365.2 Ų65.238%0.38234%0.343SS..Hα-helixtrans-67.6-43179.1-65.4169000111.5F42 L75 Q76 V81 G82F42-L79 HydrophobicContact CE2-CD2 3.85Å; F42-L79 HydrophobicContact CE2-CG 4.4Å; F42-L79 HydrophobicContact CZ-CD2 4.24Å; L75-L79 HydrophobicContact CG-CD1 4.32Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.21Å; Q76-L79 PolarHBondContact O-N 3.25Å; L79-V81 VanDerWaalsContact C-N 3.29Å; L79-V81 PolarHBondContact O-N 2.84Å; L79-G82 PolarHBondContact O-N 2.93Å
80A93.9Very high85.6Confident88 Ų8865 Ų6573%0.72735%0.346SS*.Hα-helixtrans-62.9-29.8-179.300000114Q76 G82Q76-A80 VanDerWaalsContact O-CB 3.29Å; Q76-A80 WeakPolarHBondContact O-CB 3.31Å; Q76-A80 PolarHBondContact O-N 2.69Å; A80-G82 VanDerWaalsContact C-N 3.3Å
81V91.3Very high83.3Confident59 Ų5968.4 Ų68.436%0.35838%0.383SS..THydrogen-bonded Turntrans-87.96.5172.8-54.80000113.7I20 V32 K77 C78 L79 M83I20-V81 HydrophobicContact CD1-CG2 3.35Å; V32-V81 HydrophobicContact CG1-CG2 3.94Å; V32-V81 HydrophobicContact CG2-CG2 4.26Å; V32-V81 VanDerWaalsContact CG2-O 3.31Å; V32-V81 WeakPolarHBondContact CG2-O 3.35Å; K77-V81 WeakPolarHBondContact O-CG2 3.45Å; K77-V81 PolarHBondContact O-N 3.06Å; C78-V81 WeakPolarHBondContact O-CG2 3.35Å; L79-V81 VanDerWaalsContact C-N 3.29Å; L79-V81 PolarHBondContact O-N 2.84Å; V81-M83 HydrophobicContact CG2-CG 4.33Å
82G89.8Confident81.5Confident46 Ų4671.3 Ų71.347%0.47439%0.39SS..THydrogen-bonded Turntrans89.220.5174.100000116.3L79 A80 S84L79-G82 PolarHBondContact O-N 2.93Å; A80-G82 VanDerWaalsContact C-N 3.3Å; G82-S84 PolarHBondContact O-N 2.88Å
83M92.1Very high80Confident4 Ų473.1 Ų73.12%0.0240%0.399CS..  trans-66.3123.8171.6-65.7-173.174.100110.6I20 Y30 V32 T34 F42 C78 V81I20-M83 HydrophobicContact CD1-SD 4.08Å; I20-M83 HydrophobicContact CG1-SD 4.21Å; Y30-M83 HydrophobicContact CD2-CE 3.78Å; Y30-M83 HydrophobicContact CG-CE 4.25Å; Y30-M83 WeakPolarHBondContact O-CA 3.41Å; V32-M83 HydrophobicContact CB-CG 3.86Å; V32-M83 HydrophobicContact CG2-CB 4.45Å; V32-M83 HydrophobicContact CG2-CG 3.67Å; T34-M83 HydrophobicContact CG2-CE 4.24Å; T34-M83 HydrophobicContact CG2-SD 3.99Å; F42-M83 HydrophobicContact CB-CE 3.78Å; F42-M83 HydrophobicContact CB-SD 4.43Å; F42-M83 HydrophobicContact CD1-CB 4.34Å; F42-M83 HydrophobicContact CD1-CE 3.9Å; F42-M83 HydrophobicContact CD2-CB 4.11Å; F42-M83 HydrophobicContact CD2-CE 4.4Å; F42-M83 HydrophobicContact CD2-SD 4.35Å; F42-M83 HydrophobicContact CE1-CB 3.99Å; F42-M83 HydrophobicContact CE2-CB 3.75Å; F42-M83 HydrophobicContact CG-CB 4.39Å; F42-M83 HydrophobicContact CG-CE 3.77Å; F42-M83 HydrophobicContact CG-SD 4.29Å; F42-M83 HydrophobicContact CZ-CB 3.69Å; F42-M83 WeakPolarHBondContact CZ-O 3.48Å; C78-M83 HydrophobicContact CB-CB 4.32Å; C78-M83 HydrophobicContact CB-CG 4.28Å; C78-M83 HydrophobicContact CB-SD 3.63Å; C78-M83 VanDerWaalsContact O-CB 3.25Å; C78-M83 WeakPolarHBondContact O-CB 3.5Å; C78-M83 WeakPolarHBondContact O-CG 3.46Å; C78-M83 PolarHBondContact O-N 2.91Å; V81-M83 HydrophobicContact CG2-CG 4.33Å
84S88.3Confident78.5Confident49 Ų4975.3 Ų75.334%0.34341%0.414SS..  trans-138.1147.5-177.5176.40000112.9Y30 G82 D86Y30-S84 WeakPolarHBondContact CB-O 3.33Å; Y30-S84 PolarHBondContact O-N 3.19Å; G82-S84 PolarHBondContact O-N 2.88Å; S84-D86 PolarHBondContact OG-N 3.07Å
85R83.1Confident77Confident149 Ų14982 Ų8256%0.56244%0.444SS*.SBendtrans-65.2-39.5173.3-69.5-17567.3-178.5-4.9112Q46 A87 V88Q46-R85 HydrophobicContact CB-CG 4.31Å; Q46-R85 HydrophobicContact CG-CG 4.48Å; R85-A87 VanDerWaalsContact C-N 3.3Å; R85-A87 PolarHBondContact O-N 3.11Å; R85-V88 WeakPolarHBondContact O-CB 3.24Å; R85-V88 WeakPolarHBondContact O-CG2 3.26Å; R85-V88 PolarHBondContact O-N 3.29Å
86D75.9Confident75.9Confident89 Ų8989.7 Ų89.748%0.47648%0.476SS..G310 helixtrans-75.3-20.7-174.9-65.6-70.1000113.2S84 V88 K89S84-D86 PolarHBondContact OG-N 3.07Å; D86-V88 PolarHBondContact O-N 3.17Å; D86-K89 WeakPolarHBondContact O-CB 3.41Å; D86-K89 PolarHBondContact O-N 3.39Å; D86-K89 IonicContact OD1-NZ 2.77Å; D86-K89 PolarHBondContact OD1-NZ 3.42Å
87A69.3Low74.5Confident39 Ų3990.1 Ų90.132%0.32248%0.479SS..G310 helixtrans-61.1-14.2170.600000113.4R85R85-A87 VanDerWaalsContact C-N 3.3Å; R85-A87 PolarHBondContact O-N 3.11Å
88V61.7Low73.2Confident89 Ų8991.7 Ų91.754%0.53948%0.482SS..G310 helixtrans-76.9-22.7175.6-1750000112.3Y30 R85 D86 F90Y30-V88 HydrophobicContact CD1-CG2 3.46Å; Y30-V88 VanDerWaalsContact CD1-CG2 3.46Å; Y30-V88 HydrophobicContact CE1-CG2 3.69Å; Y30-V88 HydrophobicContact CG-CG2 4.38Å; R85-V88 WeakPolarHBondContact O-CB 3.24Å; R85-V88 WeakPolarHBondContact O-CG2 3.26Å; R85-V88 PolarHBondContact O-N 3.29Å; D86-V88 PolarHBondContact O-N 3.17Å; V88-F90 VanDerWaalsContact C-N 3.28Å; V88-F90 PolarHBondContact O-N 2.97Å
89K52.2Low72.2Confident163 Ų16395.1 Ų95.171%0.70950%0.501SS*.SBendtrans-70.5-23-179.8-69.1170.9177.5157.50113.1D86 G91D86-K89 WeakPolarHBondContact O-CB 3.41Å; D86-K89 PolarHBondContact O-N 3.39Å; D86-K89 IonicContact OD1-NZ 2.77Å; D86-K89 PolarHBondContact OD1-NZ 3.42Å; K89-G91 PolarHBondContact O-N 3.05Å
90F45.4Very low71.4Confident171 Ų17195.3 Ų95.375%0.7551%0.508SS*.  trans-95.768.5178.4-65.5-84.3000110.8V88 R92V88-F90 VanDerWaalsContact C-N 3.28Å; V88-F90 PolarHBondContact O-N 2.97Å; F90-R92 CarbonylContact O-C 3.6Å; F90-R92 PolarHBondContact O-N 3.23Å
91G46.9Very low70.4Confident78 Ų7892 Ų9280%0.80448%0.478SS*.  trans-62.16.3-176.700000116.7K89K89-G91 PolarHBondContact O-N 3.05Å
92R57.6Low69.5Low165 Ų16593.5 Ų93.562%0.62348%0.478SS*.SBendtrans-126.8120.3169.6-65176.8179.9174.6-3.7107.4F90 S94 E281 R285F90-R92 CarbonylContact O-C 3.6Å; F90-R92 PolarHBondContact O-N 3.23Å; R92-S94 PolarHBondContact O-N 3.07Å; R92-E281 IonicContact CZ-OE1 2.83Å; R92-E281 IonicContact NH2-OE1 3.55Å; R92-E281 PolarHBondContact NH2-OE1 3.4Å; R92-R285 VanDerWaalsContact NH1-NH2 3.16Å
93M63Low69.2Low66 Ų6693.9 Ų93.933%0.32548%0.477SS..  trans-55.2136.5171.2-70-176.8-7800109.6M9 I28 Q97 R98 L101M9-M93 HydrophobicContact CE-CE 3.98Å; I28-M93 HydrophobicContact CD1-CG 4.39Å; I28-M93 HydrophobicContact CD1-SD 3.36Å; I28-M93 WeakPolarHBondContact CD1-SD 3.21Å; M93-Q97 HydrophobicContact CB-CB 4.41Å; M93-R98 HydrophobicContact CB-CB 4.44Å; M93-L101 HydrophobicContact CE-CD2 4.25Å; M93-L101 HydrophobicContact SD-CD2 4.17Å
94S65.1Low68.6Low54 Ų5496.5 Ų96.538%0.37849%0.489SS..  trans-59.6150.6169.365.10000110.3R92 K96 Q97 R98R92-S94 PolarHBondContact O-N 3.07Å; S94-K96 PolarHBondContact O-N 3.31Å; S94-Q97 VanDerWaalsContact N-OE1 3.09Å; S94-Q97 PolarHBondContact O-N 2.95Å; S94-Q97 VanDerWaalsContact OG-CD 3.31Å; S94-Q97 VanDerWaalsContact OG-CG 3.3Å; S94-Q97 WeakPolarHBondContact OG-CG 3.36Å; S94-Q97 PolarHBondContact OG-N 3.49Å; S94-Q97 PolarHBondContact OG-OE1 3.31Å; S94-R98 PolarHBondContact O-N 2.97Å
95K66.1Low68Low150 Ų15094.5 Ų94.565%0.65248%0.475SS*.Hα-helixtrans-48.6-46.5175.4179.4170.9177.5-177.80110.9Q97 R98 D99K95-Q97 PolarHBondContact O-N 2.9Å; K95-R98 PolarHBondContact O-N 3.32Å; K95-D99 WeakPolarHBondContact CG-OD2 3.24Å; K95-D99 WeakPolarHBondContact O-CB 3.4Å; K95-D99 PolarHBondContact O-N 3.45Å; K95-D99 VanDerWaalsContact O-OD1 3.13Å
96K72.3Confident67.9Low180 Ų18093.5 Ų93.578%0.78348%0.476SS*.Hα-helixtrans-56.1-43175.5-170.2174.2-177.5176.20114.2S94 S100S94-K96 PolarHBondContact O-N 3.31Å; K96-S100 VanDerWaalsContact O-CB 3.28Å; K96-S100 WeakPolarHBondContact O-CB 3.45Å; K96-S100 PolarHBondContact O-N 2.98Å; K96-S100 VanDerWaalsContact O-N 3.07Å
97Q65.2Low68.3Low108 Ų10895.1 Ų95.151%0.50548%0.479SS..Hα-helixtrans-71.2-39.5177.2-74.3163.7-53.900112.3M93 S94 K95 L101M93-Q97 HydrophobicContact CB-CB 4.41Å; S94-Q97 VanDerWaalsContact N-OE1 3.09Å; S94-Q97 PolarHBondContact O-N 2.95Å; S94-Q97 VanDerWaalsContact OG-CD 3.31Å; S94-Q97 VanDerWaalsContact OG-CG 3.3Å; S94-Q97 WeakPolarHBondContact OG-CG 3.36Å; S94-Q97 PolarHBondContact OG-N 3.49Å; S94-Q97 PolarHBondContact OG-OE1 3.31Å; K95-Q97 PolarHBondContact O-N 2.9Å; Q97-L101 WeakPolarHBondContact O-CB 3.4Å; Q97-L101 PolarHBondContact O-N 3.44Å
98R68.9Low68.8Low105 Ų10595.5 Ų95.540%0.39647%0.474SS..Hα-helixtrans-64.1-45.8176.9-178.3-176.966.2-174.3-0.1111.2M93 S94 K95 L101 Y102M93-R98 HydrophobicContact CB-CB 4.44Å; S94-R98 PolarHBondContact O-N 2.97Å; K95-R98 PolarHBondContact O-N 3.32Å; R98-L101 WeakPolarHBondContact O-CB 3.23Å; R98-L101 PolarHBondContact O-N 3.39Å; R98-Y102 HydrophobicContact CG-CD2 3.99Å; R98-Y102 HydrophobicContact CG-CE2 3.73Å; R98-Y102 WeakPolarHBondContact O-CD2 3.36Å; R98-Y102 PolarHBondContact O-N 3.48Å
99D74.4Confident69.6Low73 Ų7397 Ų9739%0.3947%0.47SS..Hα-helixtrans-70-37.1-178-55.7-8.7000110.2K95 L101 Y102 A103K95-D99 WeakPolarHBondContact CG-OD2 3.24Å; K95-D99 WeakPolarHBondContact O-CB 3.4Å; K95-D99 PolarHBondContact O-N 3.45Å; K95-D99 VanDerWaalsContact O-OD1 3.13Å; D99-L101 PolarHBondContact O-N 2.86Å; D99-Y102 PolarHBondContact O-N 2.95Å; D99-A103 PolarHBondContact O-N 2.98Å; D99-A103 VanDerWaalsContact O-N 3.08Å
100S77.2Confident71Confident76 Ų7694 Ų9453%0.53146%0.462SS..Hα-helixtrans-63.5-36.2170.2-175.10000113.4K96 E104K96-S100 VanDerWaalsContact O-CB 3.28Å; K96-S100 WeakPolarHBondContact O-CB 3.45Å; K96-S100 PolarHBondContact O-N 2.98Å; K96-S100 VanDerWaalsContact O-N 3.07Å; S100-E104 PolarHBondContact O-N 2.92Å; S100-E104 VanDerWaalsContact O-N 3.11Å
101L72.4Confident72.7Confident19 Ų1989.3 Ų89.310%0.09944%0.442CS..Hα-helixtrans-65-45.6174.7175.372.1000110.6I13 I16 I28 I33 M93 Q97 R98 D99 A103 E104 V105I13-L101 HydrophobicContact CD1-CD2 4.28Å; I13-L101 HydrophobicContact CG1-CD1 4.4Å; I13-L101 HydrophobicContact CG1-CD2 3.96Å; I16-L101 HydrophobicContact CD1-CD1 3.71Å; I28-L101 HydrophobicContact CD1-CD2 4.14Å; I33-L101 HydrophobicContact CD1-CD1 3.45Å; I33-L101 VanDerWaalsContact CD1-CD1 3.45Å; I33-L101 HydrophobicContact CG1-CD1 4.18Å; M93-L101 HydrophobicContact CE-CD2 4.25Å; M93-L101 HydrophobicContact SD-CD2 4.17Å; Q97-L101 WeakPolarHBondContact O-CB 3.4Å; Q97-L101 PolarHBondContact O-N 3.44Å; R98-L101 WeakPolarHBondContact O-CB 3.23Å; R98-L101 PolarHBondContact O-N 3.39Å; D99-L101 PolarHBondContact O-N 2.86Å; L101-A103 VanDerWaalsContact C-N 3.34Å; L101-A103 PolarHBondContact O-N 3.27Å; L101-E104 PolarHBondContact O-N 2.89Å; L101-V105 WeakPolarHBondContact O-CG2 3.23Å; L101-V105 PolarHBondContact O-N 2.72Å
102Y73.6Confident74Confident90 Ų9090.8 Ų90.835%0.35343%0.428SS..Hα-helixtrans-59.8-42.3177-82.9-67000112.5Q12 R98 D99 V105 Q106Q12-Y102 VanDerWaalsContact OE1-CE1 3.23Å; Q12-Y102 PolarHBondContact OE1-OH 3.45Å; R98-Y102 HydrophobicContact CG-CD2 3.99Å; R98-Y102 HydrophobicContact CG-CE2 3.73Å; R98-Y102 WeakPolarHBondContact O-CD2 3.36Å; R98-Y102 PolarHBondContact O-N 3.48Å; D99-Y102 PolarHBondContact O-N 2.95Å; Y102-V105 PolarHBondContact O-N 2.94Å; Y102-Q106 WeakPolarHBondContact O-CG 3.4Å; Y102-Q106 PolarHBondContact O-N 3.3Å
103A81.8Confident74.8Confident55 Ų5588.7 Ų88.746%0.45543%0.425SS..Hα-helixtrans-62-42174.900000112.5D99 L101 Q106 K107D99-A103 PolarHBondContact O-N 2.98Å; D99-A103 VanDerWaalsContact O-N 3.08Å; L101-A103 VanDerWaalsContact C-N 3.34Å; L101-A103 PolarHBondContact O-N 3.27Å; A103-Q106 PolarHBondContact O-N 2.72Å; A103-K107 WeakPolarHBondContact O-CB 3.29Å; A103-K107 PolarHBondContact O-N 2.74Å
104E79.6Confident75.1Confident59 Ų5991.8 Ų91.828%0.27644%0.439SS..Hα-helixtrans-64.9-39.7176.4-166.497.1155.300111.7I16 K19 S100 L101 K107 H108I16-E104 HydrophobicContact CD1-CB 3.98Å; I16-E104 HydrophobicContact CD1-CG 3.87Å; I16-E104 HydrophobicContact CG1-CG 4.42Å; K19-E104 IonicContact NZ-OE1 2.64Å; K19-E104 PolarHBondContact NZ-OE1 2.87Å; S100-E104 PolarHBondContact O-N 2.92Å; S100-E104 VanDerWaalsContact O-N 3.11Å; L101-E104 PolarHBondContact O-N 2.89Å; E104-K107 PolarHBondContact O-N 3.44Å; E104-H108 PolarHBondContact O-N 2.95Å
105V77.3Confident75.2Confident6 Ų696.6 Ų96.64%0.03645%0.449CS..Hα-helixtrans-63.2-46.6174.8173.80000111.1Q12 I15 I16 L101 Y102 H108 R109Q12-V105 WeakPolarHBondContact O-CG2 3.46Å; I15-V105 HydrophobicContact CD1-CG1 4.33Å; I16-V105 HydrophobicContact CD1-CB 4.46Å; I16-V105 HydrophobicContact CD1-CG2 3.49Å; I16-V105 VanDerWaalsContact CD1-CG2 3.49Å; I16-V105 HydrophobicContact CG1-CG2 4.03Å; L101-V105 WeakPolarHBondContact O-CG2 3.23Å; L101-V105 PolarHBondContact O-N 2.72Å; Y102-V105 PolarHBondContact O-N 2.94Å; V105-H108 PolarHBondContact O-N 2.81Å; V105-R109 WeakPolarHBondContact O-CG 3.36Å; V105-R109 PolarHBondContact O-N 3.13Å
106Q79.2Confident74.7Confident128 Ų12894.1 Ų94.160%0.59844%0.443SS*.Hα-helixtrans-61.4-45.3178.2-75.6179.4-19.700111.5Y102 A103 H108 R109 L110Y102-Q106 WeakPolarHBondContact O-CG 3.4Å; Y102-Q106 PolarHBondContact O-N 3.3Å; A103-Q106 PolarHBondContact O-N 2.72Å; Q106-H108 VanDerWaalsContact C-N 3.34Å; Q106-H108 PolarHBondContact O-N 2.87Å; Q106-R109 PolarHBondContact O-N 2.9Å; Q106-L110 PolarHBondContact O-N 3.48Å
107K84.8Confident73.9Confident123 Ų12393.9 Ų93.954%0.53544%0.444SS..Hα-helixtrans-59.1-42.9175.9-174.3178-179.1178.90112.3A103 E104 Q111A103-K107 WeakPolarHBondContact O-CB 3.29Å; A103-K107 PolarHBondContact O-N 2.74Å; E104-K107 PolarHBondContact O-N 3.44Å; K107-Q111 WeakPolarHBondContact O-CG 3.45Å; K107-Q111 PolarHBondContact O-N 2.81Å
108H79.5Confident73.2Confident48 Ų4896.6 Ų96.622%0.22246%0.456CS..Hα-helixtrans-64.9-40.4176.5-101-79.9000112.8I15 E104 V105 Q106 Q111 Q112I15-H108 HydrophobicContact CG2-CB 4.24Å; E104-H108 PolarHBondContact O-N 2.95Å; V105-H108 PolarHBondContact O-N 2.81Å; Q106-H108 VanDerWaalsContact C-N 3.34Å; Q106-H108 PolarHBondContact O-N 2.87Å; H108-Q111 PolarHBondContact O-N 2.92Å; H108-Q112 WeakPolarHBondContact O-CB 3.1Å; H108-Q112 PolarHBondContact O-N 3.12Å
109R80.1Confident72.3Confident119 Ų11999.6 Ų99.645%0.44948%0.475SS..Hα-helixtrans-62.3-46176.3-72.9176.6176.8-167-4.5112.3I15 V105 Q106 Q111 Q112 Q113I15-R109 HydrophobicContact CD1-CG 4.42Å; I15-R109 HydrophobicContact CG2-CG 4.41Å; V105-R109 WeakPolarHBondContact O-CG 3.36Å; V105-R109 PolarHBondContact O-N 3.13Å; Q106-R109 PolarHBondContact O-N 2.9Å; R109-Q111 VanDerWaalsContact C-N 3.35Å; R109-Q111 PolarHBondContact O-N 3.49Å; R109-Q112 PolarHBondContact O-N 2.89Å; R109-Q112 VanDerWaalsContact O-N 3.12Å; R109-Q113 WeakPolarHBondContact O-CG 3.45Å; R109-Q113 PolarHBondContact O-N 3.05Å
110L80.8Confident70.5Confident102 Ų102104.4 Ų104.453%0.53450%0.495SS..Hα-helixtrans-60-43.7175.9-74160.3000111.8Q106 Q112 Q113 Q114Q106-L110 PolarHBondContact O-N 3.48Å; L110-Q112 PolarHBondContact O-N 2.61Å; L110-Q113 PolarHBondContact O-N 3.5Å; L110-Q114 WeakPolarHBondContact O-CG 3.27Å; L110-Q114 PolarHBondContact O-N 3.39Å; L110-Q114 VanDerWaalsContact O-N 3.1Å
111Q81Confident68.8Low71 Ų71106.5 Ų106.533%0.33251%0.507SS..Hα-helixtrans-67.6-21.7175.7-74.5-174.9-3.600114.2K107 H108 R109 R115K107-Q111 WeakPolarHBondContact O-CG 3.45Å; K107-Q111 PolarHBondContact O-N 2.81Å; H108-Q111 PolarHBondContact O-N 2.92Å; R109-Q111 VanDerWaalsContact C-N 3.35Å; R109-Q111 PolarHBondContact O-N 3.49Å; Q111-R115 WeakPolarHBondContact O-CG 3.42Å; Q111-R115 PolarHBondContact O-NE 2.79Å
112Q74.9Confident67Low109 Ų109109.3 Ų109.351%0.50954%0.541SS..Hα-helixtrans-81.6-46.9177.1-158.7163.17.100110.1H108 R109 L110 Q114 R115 D116H108-Q112 WeakPolarHBondContact O-CB 3.1Å; H108-Q112 PolarHBondContact O-N 3.12Å; R109-Q112 PolarHBondContact O-N 2.89Å; R109-Q112 VanDerWaalsContact O-N 3.12Å; L110-Q112 PolarHBondContact O-N 2.61Å; Q112-Q114 VanDerWaalsContact C-N 3.27Å; Q112-Q114 PolarHBondContact O-N 2.81Å; Q112-R115 PolarHBondContact O-N 3.14Å; Q112-D116 PolarHBondContact O-N 3.35Å
113Q73.8Confident65.2Low121 Ų121114.3 Ų114.357%0.56557%0.567SS**Hα-helixtrans-56.3-37.8173.1-71173.7-27.500113R109 L110 R115 D116 H117R109-Q113 WeakPolarHBondContact O-CG 3.45Å; R109-Q113 PolarHBondContact O-N 3.05Å; L110-Q113 PolarHBondContact O-N 3.5Å; Q113-R115 VanDerWaalsContact C-N 3.33Å; Q113-R115 PolarHBondContact O-N 2.8Å; Q113-D116 PolarHBondContact O-N 3.46Å; Q113-H117 PolarHBondContact O-N 3.25Å; Q113-H117 VanDerWaalsContact O-N 3.14Å
114Q70Confident63.1Low132 Ų132116.6 Ų116.662%0.61759%0.586SS**Hα-helixtrans-67.5-27.4175.2-75.3176.4-9.200114L110 Q112L110-Q114 WeakPolarHBondContact O-CG 3.27Å; L110-Q114 PolarHBondContact O-N 3.39Å; L110-Q114 VanDerWaalsContact O-N 3.1Å; Q112-Q114 VanDerWaalsContact C-N 3.27Å; Q112-Q114 PolarHBondContact O-N 2.81Å
115R66Low60.9Low154 Ų154122.3 Ų122.358%0.58161%0.613SS**Hα-helixtrans-80.3-38.1175.2-68.6176.1-153.6-161.93.1111.6Q111 Q112 Q113 H117 Q118 Q119Q111-R115 WeakPolarHBondContact O-CG 3.42Å; Q111-R115 PolarHBondContact O-NE 2.79Å; Q112-R115 PolarHBondContact O-N 3.14Å; Q113-R115 VanDerWaalsContact C-N 3.33Å; Q113-R115 PolarHBondContact O-N 2.8Å; R115-H117 PolarHBondContact O-N 3.13Å; R115-Q118 WeakPolarHBondContact O-CA 3.43Å; R115-Q118 PolarHBondContact O-N 3.24Å; R115-Q119 PolarHBondContact O-N 2.94Å
116D56.2Low59Low99 Ų99127.5 Ų127.553%0.52965%0.646SS.*Hα-helixtrans-64-32.5176.5-60.6-24.5000111Q112 Q113 Q118 Q119Q112-D116 PolarHBondContact O-N 3.35Å; Q113-D116 PolarHBondContact O-N 3.46Å; D116-Q118 VanDerWaalsContact C-N 3.29Å; D116-Q118 PolarHBondContact O-N 2.98Å; D116-Q119 PolarHBondContact O-N 2.85Å
117H55Low56.7Low175 Ų175129.8 Ų129.881%0.8166%0.662SS**THydrogen-bonded Turntrans-71.6-13169.9-92.449.1000115.2Q113 R115Q113-H117 PolarHBondContact O-N 3.25Å; Q113-H117 VanDerWaalsContact O-N 3.14Å; R115-H117 PolarHBondContact O-N 3.13Å
118Q50.8Low54.1Low164 Ų164130.1 Ų130.177%0.76668%0.675SS**THydrogen-bonded Turntrans-98.10.9173.8-72.5-176.6-25.200112.7R115 D116R115-Q118 WeakPolarHBondContact O-CA 3.43Å; R115-Q118 PolarHBondContact O-N 3.24Å; D116-Q118 VanDerWaalsContact C-N 3.29Å; D116-Q118 PolarHBondContact O-N 2.98Å
119Q49.2Very low52.2Low168 Ų168133.6 Ų133.679%0.78570%0.701SS**  trans-132.664.9178.4-68.8-170.2-24.600111.4R115 D116R115-Q119 PolarHBondContact O-N 2.94Å; D116-Q119 PolarHBondContact O-N 2.85Å
120Q36.6Very low49.8Very low174 Ų174133.6 Ų133.681%0.81372%0.719SS**  trans-120.3151.2154.6-82.5-166.6-17.500111.2
121P42.3Very low47.5Very low121 Ų121139.9 Ų139.979%0.78674%0.738SS**PPolyproline II helixtrans-73.5152-172.1-11.529000111.6
122G35.6Very low45Very low78 Ų78140.2 Ų140.280%0.80476%0.76SS**PPolyproline II helixtrans-57.1144.1174.100000112.4
123E35.1Very low42.8Very low194 Ų194143 Ų14391%0.90778%0.778SS**PPolyproline II helixtrans-62.2136-173.3-61.1171.3138.800111.8
124A36.8Very low40.6Very low103 Ų103142.6 Ų142.685%0.85179%0.788SS**  trans-84.2114168.900000109.1
125E34.3Very low38.6Very low180 Ų180140.2 Ų140.284%0.84179%0.791SS**PPolyproline II helixtrans-67.8156.1175.6-93.8-155.7127.100113
126P36.2Very low36.9Very low114 Ų114140.9 Ų140.974%0.7481%0.806SS**PPolyproline II helixtrans-78.7132.6-174.4-826.1000112.5T128P126-T128 PolarHBondContact O-N 3.36Å
127L31.1Very low35.6Very low177 Ų177139.4 Ų139.493%0.92781%0.814SS**PPolyproline II helixtrans-63.8124173.5-69.1166.1000111.9
128T31.2Very low34.4Very low130 Ų130139 Ų13980%0.79882%0.816SS**  trans-130.1141.8153.649.40000110P126P126-T128 PolarHBondContact O-N 3.36Å
129P39.4Very low33.5Very low121 Ų121137 Ų13779%0.78682%0.816SS**  trans-92.8127.1-171.133.9-32.2000112.4
130S29.4Very low32.5Very low118 Ų118137.7 Ų137.783%0.82582%0.819SS**  trans-135.7136.1163.359.80000110.6
131Y31.6Very low32Very low235 Ų235137.1 Ų137.192%0.92282%0.821SS**  trans-89.4137.4-177.6-67.3-104.1000110
132G29.4Very low31.3Very low77 Ų77139.9 Ų139.979%0.79482%0.823SS**  trans-172.2122.9173.700000113.1
133L28.4Very low31Very low169 Ų169142.3 Ų142.389%0.88582%0.817SS**  trans-81.1143.3-177.8-61.5107.9000112.9
134S27.6Very low30.6Very low112 Ų112139.5 Ų139.578%0.78381%0.809SS**  161.8132.7108-74.40000116.4
135A28.4Very low30.3Very low81 Ų81141.7 Ų141.767%0.66981%0.805SS**  trans68.4117.413300000124.1
136N30.3Very low30.1Very low169 Ų169138.4 Ų138.490%0.90480%0.802SS**  trans95.1132.9132.6-63.8-4.3000122.7
137G29.1Very low29.7Very low67 Ų67136.2 Ų136.269%0.69180%0.8SS**  trans109.494.617300000112.4
138L29.8Very low29.6Very low166 Ų166137.8 Ų137.887%0.86980%0.795SS**  44124.467.7-56.9177.5000111.8
139T31.2Very low29.7Very low122 Ų122139.7 Ų139.775%0.74880%0.797SS**  cis-155.4161.27.850000106.1
140E28.7Very low29.3Very low184 Ų184140.7 Ų140.786%0.8680%0.796SS**  179.8164.167.7-140.7158.7-139.600109.4
141L26.3Very low29.2Very low161 Ų161137.9 Ų137.984%0.84379%0.786SS**  trans-113.1148.8-174.2-77.3157.6000112.8
142H28.2Very low29Very low179 Ų179135.2 Ų135.283%0.82978%0.781SS**  trans-170.4113.3133.8-114.8-82.4000107.8
143D28Very low29.1Very low129 Ų129137.9 Ų137.969%0.6978%0.782SS**  82.886.859.2-147.355.8000113.4
144D28.2Very low29.7Very low136 Ų136135.4 Ų135.473%0.72778%0.776SS**  64.7127.8117.7-97.228.5000124.7
145L30.4Very low29.7Very low149 Ų149138.1 Ų138.178%0.7878%0.782SS**  107.5114118.8-162.259.5000122.8
146S28.3Very low29.5Very low110 Ų110136.8 Ų136.877%0.76978%0.776SS**  trans90.2147.7135.571.60000125.3
147G27.7Very low29.3Very low68 Ų68135 Ų13570%0.70178%0.777SS**  trans129.877.9164.300000114.1
148Y30.8Very low29.3Very low210 Ų210141.4 Ų141.482%0.82479%0.786SS**  46.3133.482.1-82.6-99.6000115.2
149M33.1Very low29.9Very low170 Ų170139 Ų13984%0.83778%0.781SS**  cis-163.6-169.5-13.9-136.2-168.9166.800112.6
150D30.6Very low29.7Very low143 Ų143140 Ų14077%0.76578%0.781SS**  trans-89.3172.4-167-176.224.4000115.7
151G27.6Very low29.8Very low59 Ų59136 Ų13661%0.60877%0.774SS**  trans148.684.215600000122.4
152H27.2Very low29.8Very low178 Ų178132.1 Ų132.182%0.82476%0.764SS**  trans67.8160.7132.5-64.62.4000125.2
153T31Very low29.7Very low133 Ų133130.3 Ų130.382%0.81677%0.766SS**  trans-91.1-171.3179.946.10000112.2
154P40.7Very low29.6Very low117 Ų117129.1 Ų129.176%0.7677%0.768SS**  cis-146.6-178.712.545.4-24.2000119.8
155D27.4Very low29.4Very low169 Ų169127 Ų12790%0.90476%0.763SS**  trans45.6149.3148.8-15318.9000124.8
156G25.4Very low29.2Very low54 Ų54129 Ų12956%0.55777%0.766SS**  trans139.7102153.800000122.1
157S26.5Very low29.2Very low131 Ų131133.8 Ų133.892%0.91677%0.769SS**  trans76.1152.7140.848.60000125.6
158K28.8Very low29.2Very low201 Ų201137.9 Ų137.987%0.87477%0.774SS**  trans-93.5-172.3-171.9-80-176.8176.1-179.20113.2
159P42.8Very low28.9Very low117 Ų117133.9 Ų133.976%0.7677%0.767SS**  cis-136.8-154.713.940.4-15.5000114
160D26.3Very low28.6Very low142 Ų142133.2 Ų133.276%0.75977%0.765SS**  cis-160.8174.33.8-154.77.7000114.8
161S29.7Very low28.5Very low101 Ų101134 Ų13471%0.70676%0.764SS**  trans64141.1149.9-99.60000122.2
162A28.1Very low28.5Very low78 Ų78136.9 Ų136.965%0.64577%0.772SS**  cis-163.1154.1-2.600000114.4
163V26.1Very low28.6Very low141 Ų141133.1 Ų133.186%0.85577%0.766SS**  trans67.8135.9146175.80000118.6
164S24.7Very low28.6Very low105 Ų105133 Ų13373%0.73477%0.767SS**  cis-153.9154.920.6-154.40000116.3
165S24.4Very low28Very low91 Ų91133.9 Ų133.964%0.63677%0.765SS**  trans30.6123.6149.8-148.40000121.8
166F26.6Very low28Very low192 Ų192133.7 Ų133.784%0.84276%0.759SS**  57.2125.862.7-61.9-69.4000114.2
167Y26.9Very low28.2Very low210 Ų210137.3 Ų137.382%0.82478%0.776SS**  -156.317065.9-129.7-105.5000115.1
168L28.8Very low28.2Very low153 Ų153134.2 Ų134.280%0.80177%0.765SS**  trans-106157.4169.3-83.5162.6000110.7
169D24.8Very low28.3Very low127 Ų127132.8 Ų132.868%0.67977%0.766SS**  trans168.4125.2139.9-90-15.5000111.4
170I25.9Very low27.7Very low155 Ų155133.4 Ų133.480%0.79576%0.763SS**  89.3134.188.9-68.1176.6000115
171Q28.8Very low28.1Very low159 Ų159133 Ų13374%0.74376%0.76SS**  trans-63.6158.3178.1-76.8-80.1-31.900113.6
172P28.5Very low28.3Very low121 Ų121135.9 Ų135.979%0.78677%0.767SS**  -153.9171.680.340-19.5000118.5
173S28.3Very low28.2Very low98 Ų98135.4 Ų135.469%0.68577%0.769SS**  trans-67.9172165.4-47.90000113.8
174P32Very low28.4Very low132 Ų132136.8 Ų136.886%0.85777%0.77SS**  trans-134.4165.9133.635.1-22.3000115.4
175D27.7Very low28.6Very low134 Ų134141 Ų14172%0.71778%0.776SS**  trans-99157.7-165.3-96.9-69.8000116.6
176Q27.7Very low29.1Very low165 Ų165142.1 Ų142.177%0.77178%0.78SS**  trans50.5127.3138.3-65.7168.252.200124.5
177S29.6Very low29.4Very low131 Ų131141.7 Ų141.792%0.91678%0.781SS**  156.1145.9126.346.40000110.7
178G26.4Very low29.8Very low66 Ų66136.8 Ų136.868%0.6878%0.775SS**  cis167.8140.1-11.900000112.1
179L30Very low29.7Very low170 Ų170136.7 Ų136.789%0.8977%0.773SS**  trans66.5152.7167.7-50.1176.1000116.6
180D31.5Very low29.8Very low130 Ų130136.4 Ų136.470%0.69578%0.78SS**  cis-136.2146.614.6-88.7-45.7000109.9
181I34.1Very low29.7Very low135 Ų135136.9 Ų136.969%0.69278%0.784SS**  103.2143.859.5-128.1172.3000113.7
182N32.7Very low29.7Very low160 Ų160139.5 Ų139.586%0.85679%0.794SS**  trans76.2123.3-173.9-53.3-36.9000117
183G27.7Very low29.7Very low68 Ų68138.2 Ų138.270%0.70179%0.793SS**  cis180144.2-800000115
184I30.5Very low30.4Very low171 Ų171140.1 Ų140.188%0.87780%0.803SS**  trans59.4100.3146.5-48.9176.3000119.5
185K28.3Very low30Very low194 Ų194137.3 Ų137.384%0.84380%0.798SS**  trans0.5164.5132.4-87.6-174.2175.3-176.40120.4
186P33.6Very low30.5Very low113 Ų113136.6 Ų136.673%0.73480%0.804SS**  cis-135.5172.112.537-17.5000116.7
187E33.9Very low30.4Very low183 Ų183132.3 Ų132.386%0.85580%0.804SS**  trans-68.7160.6156.1-64.6-176.3141.800111.3
188P35.3Very low30.4Very low107 Ų107135.7 Ų135.770%0.69580%0.802SS**  -144.6140.9122.331.7-14.6000116.6
189I25.8Very low30.8Very low151 Ų151141.6 Ų141.677%0.77481%0.81SS**  66.2127.8129.8-57.9168.7000118.9
190C27.9Very low31.2Very low121 Ų121138.8 Ų138.882%0.81880%0.801SS**  trans-79.3135.4171.3-45.20000111.6
191D23.8Very low31.4Very low165 Ų165142.6 Ų142.688%0.88281%0.808SS**  trans-121.8140.1165.2-101.6-36.4000111
192F28.9Very low31.3Very low215 Ų215141.4 Ų141.494%0.94381%0.81SS**  trans-115.2107.1-176.8-122.3-86000109.6
193A28Very low31.2Very low94 Ų94138.4 Ų138.478%0.77780%0.802SS**  trans-156.7147.616400000111.6
194P43.3Very low31.5Very low138 Ų138145.1 Ų145.190%0.89681%0.812SS**  trans-94.9139.1-167.435.6-33.4000113.6
195G24.3Very low31.6Very low73 Ų73143.6 Ų143.675%0.75381%0.811SS**  trans-157.2129.1177.300000113.6G197G195-G197 PolarHBondContact O-N 2.99Å
196S36.3Very low32Very low119 Ų119142.7 Ų142.783%0.83282%0.815SS**  trans-39.1116176.849.70000116.1F198S196-F198 PolarHBondContact O-N 3.25Å
197G26.3Very low32.1Very low75 Ų75140.6 Ų140.677%0.77381%0.814SS**  trans-75.686.8171.400000113G195G195-G197 PolarHBondContact O-N 2.99Å
198F29.1Very low32Very low201 Ų201141.2 Ų141.288%0.88282%0.817SS**PPolyproline II helixtrans-82117.7167.3-150-93000108.3S196S196-F198 PolarHBondContact O-N 3.25Å
199F34.8Very low31.9Very low191 Ų191143 Ų14384%0.83883%0.826SS**PPolyproline II helixtrans-72.2129.7178.2-82.7-89.5000110.6
200P40.1Very low32.5Very low110 Ų110140.1 Ų140.171%0.71482%0.819SS**PPolyproline II helixtrans-76.2131.7177.929.7-32.6000111.4C202P200-C202 PolarHBondContact O-N 3.01Å
201Y34.7Very low33.4Very low211 Ų211140.2 Ų140.283%0.82782%0.819SS**  trans-69.6113.2170.3179.9-90.7000109.6S203Y201-S203 PolarHBondContact O-N 3.41Å
202C31.1Very low35.4Very low109 Ų109138.4 Ų138.474%0.73681%0.813SS**  trans-76.7104.8175.3-77.40000111.1P200P200-C202 PolarHBondContact O-N 3.01Å
203S31.7Very low37.7Very low98 Ų98129.9 Ų129.969%0.68578%0.779SS**  trans-64.4133.4162.2-62.50000110.4Y201 T205Y201-S203 PolarHBondContact O-N 3.41Å; S203-T205 PolarHBondContact O-N 3.31Å
204F32.9Very low40.7Very low209 Ų209127.8 Ų127.892%0.91776%0.759SS**  trans-72.3118.6-179.9-73.7-91.4000112.4
205T33.8Very low42.9Very low138 Ų138126.7 Ų126.785%0.84774%0.743SS**  trans-126.6144.2149.8490000109.2S203S203-T205 PolarHBondContact O-N 3.31Å
206N35.8Very low46.1Very low176 Ų176126.8 Ų126.894%0.94174%0.737SS**  trans-53.5143.5-163.9-69.8-22.6000116.1
207G36.3Very low48.9Very low69 Ų69125.7 Ų125.771%0.71172%0.719SS**  trans106.877.5138.400000117.3
208E31.2Very low52.1Low196 Ų196122.5 Ų122.592%0.91668%0.683SS**  -176.3129.2126.6-101.8169.2-16600110.2S210E208-S210 PolarHBondContact O-N 3.12Å
209T34.3Very low55.3Low143 Ų143115.1 Ų115.188%0.87765%0.652SS**  trans-85.195.9-169.5480000112.6
210S37.5Very low58.3Low92 Ų92111.4 Ų111.464%0.64364%0.637SS**  trans-58.7146.7145.7-172.40000108.9E208 T212E208-S210 PolarHBondContact O-N 3.12Å; S210-T212 VanDerWaalsContact C-N 3.3Å; S210-T212 PolarHBondContact O-N 2.61Å
211P46.4Very low61Low123 Ų123106.8 Ų106.880%0.79961%0.606SS**  trans-7085.3-178.728.7-35.5000111.2V213P211-V213 PolarHBondContact O-N 3.29Å
212T66.9Low64Low126 Ų12697 Ų9777%0.77357%0.568SS**PPolyproline II helixtrans-62.2116.9172.548.30000109.4S210 S214S210-T212 VanDerWaalsContact C-N 3.3Å; S210-T212 PolarHBondContact O-N 2.61Å; T212-S214 PolarHBondContact O-N 3.16Å
213V76.8Confident67.2Low36 Ų3697 Ų9722%0.21856%0.558CS.*PPolyproline II helixtrans-53.2128.8172-176.80000108.5P211 E217 L218 K393P211-V213 PolarHBondContact O-N 3.29Å; V213-E217 HydrophobicContact CG1-CB 3.87Å; V213-L218 HydrophobicContact CB-CD2 4.31Å; V213-L218 HydrophobicContact CG1-CD2 3.67Å; V213-L218 HydrophobicContact CG1-CG 4.01Å; V213-K393 HydrophobicContact CG2-CG 4.31Å
214S90.4Very high70.4Confident51 Ų5193.7 Ų93.736%0.35753%0.532SS..PPolyproline II helixtrans-69.5148.9-174.768.50000111.2T212 A216 E217 L218T212-S214 PolarHBondContact O-N 3.16Å; S214-A216 PolarHBondContact O-N 3.37Å; S214-E217 WeakPolarHBondContact CB-OE2 3.32Å; S214-E217 PolarHBondContact N-OE2 3.05Å; S214-E217 PolarHBondContact O-N 3.14Å; S214-E217 VanDerWaalsContact OG-CD 3.31Å; S214-E217 VanDerWaalsContact OG-CG 3.24Å; S214-E217 WeakPolarHBondContact OG-CG 3.25Å; S214-E217 PolarHBondContact OG-N 3.37Å; S214-E217 PolarHBondContact OG-OE2 3.28Å; S214-L218 PolarHBondContact O-N 2.92Å; S214-L218 VanDerWaalsContact O-N 3.12Å
215M89.6Confident73.6Confident114 Ų11483.7 Ų83.756%0.56249%0.489SS*.Hα-helixtrans-59.5-29.5177.2-63.9-61.898.700112.2L218 E219M215-L218 HydrophobicContact CE-CD1 3.57Å; M215-L218 HydrophobicContact CE-CG 4.48Å; M215-L218 PolarHBondContact O-N 3.23Å; M215-L218 HydrophobicContact SD-CD1 4.41Å; M215-E219 VanDerWaalsContact O-CB 3.31Å; M215-E219 WeakPolarHBondContact O-CB 3.32Å; M215-E219 PolarHBondContact O-N 2.85Å
216A92.8Very high76.6Confident75 Ų7577.7 Ų77.762%0.6245%0.452SS*.Hα-helixtrans-67-39.2174.700000112.6S214 H220S214-A216 PolarHBondContact O-N 3.37Å; A216-H220 WeakPolarHBondContact O-CB 3.27Å; A216-H220 PolarHBondContact O-N 3.45Å
217E93.6Very high79.6Confident97 Ų9775.7 Ų75.745%0.45344%0.435SS..Hα-helixtrans-67.6-39.8174.4-72.3164.411600112V213 S214 H220 L221V213-E217 HydrophobicContact CG1-CB 3.87Å; S214-E217 WeakPolarHBondContact CB-OE2 3.32Å; S214-E217 PolarHBondContact N-OE2 3.05Å; S214-E217 PolarHBondContact O-N 3.14Å; S214-E217 VanDerWaalsContact OG-CD 3.31Å; S214-E217 VanDerWaalsContact OG-CG 3.24Å; S214-E217 WeakPolarHBondContact OG-CG 3.25Å; S214-E217 PolarHBondContact OG-N 3.37Å; S214-E217 PolarHBondContact OG-OE2 3.28Å; E217-H220 PolarHBondContact O-N 2.99Å; E217-L221 WeakPolarHBondContact O-CB 3.45Å; E217-L221 PolarHBondContact O-N 3.08Å
218L94.7Very high82.6Confident7 Ų772.7 Ų72.74%0.03740%0.403CS..Hα-helixtrans-66.4-43.6176.6-64-174.9000112V213 S214 M215 L221 A222 L396 A397V213-L218 HydrophobicContact CB-CD2 4.31Å; V213-L218 HydrophobicContact CG1-CD2 3.67Å; V213-L218 HydrophobicContact CG1-CG 4.01Å; S214-L218 PolarHBondContact O-N 2.92Å; S214-L218 VanDerWaalsContact O-N 3.12Å; M215-L218 HydrophobicContact CE-CD1 3.57Å; M215-L218 HydrophobicContact CE-CG 4.48Å; M215-L218 PolarHBondContact O-N 3.23Å; M215-L218 HydrophobicContact SD-CD1 4.41Å; L218-L221 PolarHBondContact O-N 3.41Å; L218-A222 WeakPolarHBondContact O-CB 3.19Å; L218-A222 PolarHBondContact O-N 3.41Å; L218-L396 HydrophobicContact CD1-CB 3.95Å; L218-L396 HydrophobicContact CD2-CB 3.79Å; L218-A397 HydrophobicContact CD2-CB 4.46Å
219E95.7Very high85.7Confident46 Ų4663.4 Ų63.422%0.21536%0.36CS..Hα-helixtrans-64.8-40.5176.1-178.472.4-146.400111.1M215 A222 Q223 H400 K404M215-E219 VanDerWaalsContact O-CB 3.31Å; M215-E219 WeakPolarHBondContact O-CB 3.32Å; M215-E219 PolarHBondContact O-N 2.85Å; E219-A222 PolarHBondContact O-N 3.17Å; E219-Q223 WeakPolarHBondContact O-CB 3.33Å; E219-Q223 VanDerWaalsContact O-CG 3.24Å; E219-Q223 WeakPolarHBondContact O-CG 3.22Å; E219-Q223 PolarHBondContact O-N 3.44Å; E219-Q223 PolarHBondContact OE1-NE2 2.96Å; E219-H400 IonicContact OE2-CD2 3.8Å; E219-H400 IonicContact OE2-CE1 2.82Å; E219-H400 IonicContact OE2-NE2 3.1Å; E219-H400 PolarHBondContact OE2-NE2 2.83Å; E219-K404 IonicContact OE1-NZ 2.83Å; E219-K404 PolarHBondContact OE1-NZ 2.88Å; E219-K404 IonicContact OE2-NZ 3.25Å; E219-K404 PolarHBondContact OE2-NZ 3.35Å
220H97.3Very high88.6Confident113 Ų11360 Ų6052%0.52334%0.335SS..Hα-helixtrans-62-47.1173.3-178.6-81.2000112.1A216 E217 A222 Q223 N224 D287A216-H220 WeakPolarHBondContact O-CB 3.27Å; A216-H220 PolarHBondContact O-N 3.45Å; E217-H220 PolarHBondContact O-N 2.99Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 2.94Å; H220-Q223 PolarHBondContact O-N 3.39Å; H220-N224 WeakPolarHBondContact O-CB 3.42Å; H220-N224 PolarHBondContact O-N 2.89Å; H220-D287 IonicContact CE1-OD2 2.68Å; H220-D287 PolarHBondContact CE1-OD2 3.48Å; H220-D287 VanDerWaalsContact CE1-OD2 3.28Å; H220-D287 IonicContact ND1-OD2 2.8Å
221L97.9Very high91.3Very high14 Ų1460.5 Ų60.57%0.07333%0.327CS..Hα-helixtrans-62.7-41.2178.4-178.960.8000111.6E217 L218 N224 I225 D287 K393 I394 A397E217-L221 WeakPolarHBondContact O-CB 3.45Å; E217-L221 PolarHBondContact O-N 3.08Å; L218-L221 PolarHBondContact O-N 3.41Å; L221-N224 PolarHBondContact O-N 3.49Å; L221-I225 HydrophobicContact CD1-CD1 3.77Å; L221-I225 HydrophobicContact CD1-CG1 4.25Å; L221-I225 HydrophobicContact CG-CD1 3.86Å; L221-I225 WeakPolarHBondContact O-CB 3.17Å; L221-I225 VanDerWaalsContact O-CG1 3.31Å; L221-I225 WeakPolarHBondContact O-CG1 3.43Å; L221-I225 PolarHBondContact O-N 3.06Å; L221-D287 HydrophobicContact CD1-CB 4.28Å; L221-K393 HydrophobicContact CD2-CB 3.88Å; L221-I394 HydrophobicContact CD2-CG1 4.1Å; L221-A397 HydrophobicContact CD2-CB 4.41Å
222A98.3Very high93.7Very high4 Ų454.8 Ų54.83%0.03329%0.29CS..Hα-helixtrans-59.2-49.6173.100000111.5L218 E219 H220 N224 I225 S226 L367 A397 V401L218-A222 WeakPolarHBondContact O-CB 3.19Å; L218-A222 PolarHBondContact O-N 3.41Å; E219-A222 PolarHBondContact O-N 3.17Å; H220-A222 VanDerWaalsContact C-N 3.34Å; H220-A222 PolarHBondContact O-N 2.94Å; A222-N224 PolarHBondContact O-N 2.81Å; A222-I225 PolarHBondContact O-N 2.73Å; A222-S226 WeakPolarHBondContact O-CB 3.34Å; A222-S226 PolarHBondContact O-N 2.8Å; A222-S226 PolarHBondContact O-OG 2.98Å; A222-L367 HydrophobicContact CB-CD1 4.04Å; A222-A397 HydrophobicContact CB-CB 4.41Å; A222-V401 HydrophobicContact CB-CG2 3.86Å
223Q98.2Very high94.8Very high111 Ų11149.8 Ų49.852%0.51926%0.26SS..Hα-helixtrans-62.8-40.1178.5-70.8173.914.900112.7E219 H220 K227E219-Q223 WeakPolarHBondContact O-CB 3.33Å; E219-Q223 VanDerWaalsContact O-CG 3.24Å; E219-Q223 WeakPolarHBondContact O-CG 3.22Å; E219-Q223 PolarHBondContact O-N 3.44Å; E219-Q223 PolarHBondContact OE1-NE2 2.96Å; H220-Q223 PolarHBondContact O-N 3.39Å; Q223-K227 WeakPolarHBondContact O-CB 3.37Å; Q223-K227 PolarHBondContact O-N 3.21Å
224N98.6Very high95.1Very high27 Ų2751.6 Ų51.614%0.14427%0.266CS..Hα-helixtrans-57.5-50.9172.2167.9-80.2000111H220 L221 A222 S228 R285 I286 D287H220-N224 WeakPolarHBondContact O-CB 3.42Å; H220-N224 PolarHBondContact O-N 2.89Å; L221-N224 PolarHBondContact O-N 3.49Å; A222-N224 PolarHBondContact O-N 2.81Å; N224-S228 WeakPolarHBondContact O-CB 3.47Å; N224-S228 PolarHBondContact O-N 3.3Å; N224-S228 PolarHBondContact O-OG 3.22Å; N224-R285 PolarHBondContact ND2-O 3.07Å; N224-R285 PolarHBondContact OD1-O 2.69Å; N224-R285 VanDerWaalsContact OD1-O 3.14Å; N224-I286 WeakPolarHBondContact OD1-CA 3.36Å; N224-D287 WeakPolarHBondContact CB-OD2 3.47Å; N224-D287 VanDerWaalsContact CG-CG 3.41Å; N224-D287 PolarHBondContact ND2-OD1 3.45Å; N224-D287 PolarHBondContact ND2-OD2 3.11Å; N224-D287 PolarHBondContact OD1-N 3.29Å
225I98.8Very high95Very high0 Ų052.2 Ų52.20%026%0.261CS..Hα-helixtrans-68-46.2-175.9-71.5169.3000111.1L221 A222 S228 H229 F282 I286 A366 L367 A370 I394L221-I225 HydrophobicContact CD1-CD1 3.77Å; L221-I225 HydrophobicContact CD1-CG1 4.25Å; L221-I225 HydrophobicContact CG-CD1 3.86Å; L221-I225 WeakPolarHBondContact O-CB 3.17Å; L221-I225 VanDerWaalsContact O-CG1 3.31Å; L221-I225 WeakPolarHBondContact O-CG1 3.43Å; L221-I225 PolarHBondContact O-N 3.06Å; A222-I225 PolarHBondContact O-N 2.73Å; I225-S228 PolarHBondContact O-N 2.89Å; I225-H229 WeakPolarHBondContact O-CB 3.48Å; I225-H229 PolarHBondContact O-N 3.45Å; I225-F282 HydrophobicContact CG2-CE2 4.23Å; I225-F282 HydrophobicContact CG2-CZ 4.08Å; I225-I286 HydrophobicContact CD1-CG2 4.26Å; I225-I286 HydrophobicContact CG1-CG1 4.4Å; I225-I286 HydrophobicContact CG1-CG2 4.15Å; I225-A366 HydrophobicContact CG2-CB 3.96Å; I225-A366 WeakPolarHBondContact CG2-O 3.46Å; I225-L367 HydrophobicContact CB-CD2 4.24Å; I225-L367 HydrophobicContact CD1-CD2 3.8Å; I225-L367 HydrophobicContact CG2-CD2 4.09Å; I225-L367 HydrophobicContact CG2-CG 4.15Å; I225-A370 HydrophobicContact CD1-CB 3.94Å; I225-A370 HydrophobicContact CG1-CB 4.4Å; I225-A370 HydrophobicContact CG2-CB 3.88Å; I225-I394 HydrophobicContact CD1-CD1 4.44Å; I225-I394 HydrophobicContact CD1-CG1 3.9Å; I225-I394 HydrophobicContact CD1-CG2 4.26Å
226S98.4Very high94.8Very high12 Ų1250.6 Ų50.68%0.08425%0.254CS..Hα-helixtrans-58.5-49.5175.6-72.70000112.5A222 S228 H229 M230 D363A222-S226 WeakPolarHBondContact O-CB 3.34Å; A222-S226 PolarHBondContact O-N 2.8Å; A222-S226 PolarHBondContact O-OG 2.98Å; S226-S228 VanDerWaalsContact C-N 3.33Å; S226-S228 PolarHBondContact O-N 3.38Å; S226-H229 WeakPolarHBondContact O-CB 3.47Å; S226-H229 PolarHBondContact O-N 2.69Å; S226-M230 WeakPolarHBondContact O-CG 3.17Å; S226-M230 PolarHBondContact O-N 2.92Å; S226-D363 WeakPolarHBondContact CB-OD1 3.01Å; S226-D363 WeakPolarHBondContact OG-CA 3.14Å; S226-D363 WeakPolarHBondContact OG-CB 3.44Å; S226-D363 PolarHBondContact OG-OD1 2.89Å
227K97.9Very high94.4Very high134 Ų13451.8 Ų51.858%0.58324%0.242SC*.Hα-helixtrans-61.5-43.7176.9-179.1177.3175.4179.40111.4Q223 H229 M230 E231Q223-K227 WeakPolarHBondContact O-CB 3.37Å; Q223-K227 PolarHBondContact O-N 3.21Å; K227-H229 VanDerWaalsContact C-N 3.31Å; K227-H229 PolarHBondContact O-N 3.31Å; K227-M230 PolarHBondContact O-N 2.94Å; K227-E231 WeakPolarHBondContact CE-OE1 3.47Å; K227-E231 WeakPolarHBondContact O-CB 3.46Å; K227-E231 PolarHBondContact O-N 3.48Å
228S98.4Very high94Very high6 Ų651.9 Ų51.94%0.04224%0.243CC..Hα-helixtrans-62.8-37.4177.1-64.50000112.1N224 I225 S226 T232 R285N224-S228 WeakPolarHBondContact O-CB 3.47Å; N224-S228 PolarHBondContact O-N 3.3Å; N224-S228 PolarHBondContact O-OG 3.22Å; I225-S228 PolarHBondContact O-N 2.89Å; S226-S228 VanDerWaalsContact C-N 3.33Å; S226-S228 PolarHBondContact O-N 3.38Å; S228-T232 WeakPolarHBondContact O-CB 3.36Å; S228-T232 VanDerWaalsContact O-CG2 3.24Å; S228-T232 WeakPolarHBondContact O-CG2 3.49Å; S228-T232 PolarHBondContact O-N 3.27Å; S228-T232 PolarHBondContact O-OG1 3.23Å; S228-R285 VanDerWaalsContact OG-CB 3.22Å; S228-R285 WeakPolarHBondContact OG-CB 3.43Å; S228-R285 PolarHBondContact OG-O 3.37Å
229H97.5Very high93.6Very high0 Ų055.5 Ų55.50%026%0.26CS..Hα-helixtrans-63-53.1173172.383.6000111.2I225 S226 K227 E231 T232 C233 F282 R312 R315 I365 A366I225-H229 WeakPolarHBondContact O-CB 3.48Å; I225-H229 PolarHBondContact O-N 3.45Å; S226-H229 WeakPolarHBondContact O-CB 3.47Å; S226-H229 PolarHBondContact O-N 2.69Å; K227-H229 VanDerWaalsContact C-N 3.31Å; K227-H229 PolarHBondContact O-N 3.31Å; H229-E231 PolarHBondContact O-N 3.32Å; H229-T232 CarbonylContact O-C 3.6Å; H229-T232 VanDerWaalsContact O-C 3.28Å; H229-T232 WeakPolarHBondContact O-CA 3.24Å; H229-T232 PolarHBondContact O-N 2.86Å; H229-T232 PolarHBondContact O-OG1 2.85Å; H229-C233 PolarHBondContact O-N 2.98Å; H229-C233 PolarHBondContact O-SG 2.89Å; H229-F282 HydrophobicContact CB-CD2 4.42Å; H229-F282 HydrophobicContact CB-CE2 3.91Å; H229-R312 PolarHBondContact CE1-NE 3.17Å; H229-R312 PolarHBondContact CE1-NH2 2.95Å; H229-R312 PolarHBondContact ND1-NH2 3.33Å; H229-R312 WeakPolarHBondContact NE2-CG 3.48Å; H229-R315 WeakPolarHBondContact NE2-CD 3.41Å; H229-I365 WeakPolarHBondContact NE2-CG2 3.39Å; H229-A366 HydrophobicContact CB-CB 3.34Å
230M95.3Very high93.2Very high73 Ų7353.6 Ų53.636%0.3625%0.251SS..Hα-helixtrans-59.5-43-179.9-66.3-58.9-65.400112.6S226 K227 T232 C233 E362S226-M230 WeakPolarHBondContact O-CG 3.17Å; S226-M230 PolarHBondContact O-N 2.92Å; K227-M230 PolarHBondContact O-N 2.94Å; M230-T232 PolarHBondContact O-N 2.57Å; M230-C233 PolarHBondContact O-N 2.86Å; M230-E362 HydrophobicContact SD-CB 4.01Å; M230-E362 HydrophobicContact SD-CG 4.07Å
231E94.4Very high92.5Very high102 Ų10253.7 Ų53.748%0.47725%0.251SS..THydrogen-bonded Turntrans-71.2-5.9175.6-72.5-171.7-148.800114.4K227 H229 R285K227-E231 WeakPolarHBondContact CE-OE1 3.47Å; K227-E231 WeakPolarHBondContact O-CB 3.46Å; K227-E231 PolarHBondContact O-N 3.48Å; H229-E231 PolarHBondContact O-N 3.32Å; E231-R285 IonicContact OE2-CZ 3.28Å; E231-R285 IonicContact OE2-NH1 2.76Å; E231-R285 PolarHBondContact OE2-NH1 2.81Å; E231-R285 IonicContact OE2-NH2 2.85Å; E231-R285 PolarHBondContact OE2-NH2 2.77Å
232T95.4Very high91.8Very high2 Ų260 Ų601%0.01228%0.281CS..THydrogen-bonded Turntrans-128.618.1-18064.40000113S228 H229 M230 Y278 E281 F282 R312S228-T232 WeakPolarHBondContact O-CB 3.36Å; S228-T232 VanDerWaalsContact O-CG2 3.24Å; S228-T232 WeakPolarHBondContact O-CG2 3.49Å; S228-T232 PolarHBondContact O-N 3.27Å; S228-T232 PolarHBondContact O-OG1 3.23Å; H229-T232 CarbonylContact O-C 3.6Å; H229-T232 VanDerWaalsContact O-C 3.28Å; H229-T232 WeakPolarHBondContact O-CA 3.24Å; H229-T232 PolarHBondContact O-N 2.86Å; H229-T232 PolarHBondContact O-OG1 2.85Å; M230-T232 PolarHBondContact O-N 2.57Å; T232-Y278 WeakPolarHBondContact O-CB 3.47Å; T232-E281 HydrophobicContact CG2-CB 4.12Å; T232-E281 HydrophobicContact CG2-CG 3.72Å; T232-F282 HydrophobicContact CG2-CB 4.36Å; T232-F282 WeakPolarHBondContact OG1-CB 3.43Å; T232-R312 PolarHBondContact O-NH1 2.98Å; T232-R312 PolarHBondContact OG1-NH1 3.14Å; T232-R312 PolarHBondContact OG1-NH2 3.38Å
233C90Very high91.2Very high21 Ų2161.2 Ų61.214%0.14229%0.286CS..  trans-84.3136.1165-80.70000109H229 M230 Y235H229-C233 PolarHBondContact O-N 2.98Å; H229-C233 PolarHBondContact O-SG 2.89Å; M230-C233 PolarHBondContact O-N 2.86Å; C233-Y235 PolarHBondContact O-N 3.38Å
234Q84.9Confident90.3Very high74 Ų7458 Ų5835%0.34627%0.274SS..SBendtrans-64.6-31.6179.5-176.7176.5-7.500112.1Y278Q234-Y278 HydrophobicContact CB-CD2 4.1Å; Q234-Y278 HydrophobicContact CB-CE2 3.81Å; Q234-Y278 HydrophobicContact CG-CD2 4.47Å; Q234-Y278 HydrophobicContact CG-CE2 3.76Å
235Y86.6Confident89.2Confident64 Ų6468.1 Ų68.125%0.25131%0.31SS..SBendtrans-134.6142.8179.1-55.8-77.9000110.4C233 L240 M243 R315 Y325C233-Y235 PolarHBondContact O-N 3.38Å; Y235-L240 HydrophobicContact CD2-CD2 4.1Å; Y235-L240 HydrophobicContact CG-CD2 4.08Å; Y235-L240 HydrophobicContact CG-CG 4.42Å; Y235-M243 HydrophobicContact CD1-CE 4.06Å; Y235-M243 HydrophobicContact CE1-CE 4.33Å; Y235-R315 PolarHBondContact O-NH1 3.28Å; Y235-R315 PolarHBondContact O-NH2 3.1Å; Y235-Y325 HydrophobicContact CD2-CE1 4.43Å; Y235-Y325 HydrophobicContact CE1-CE1 4.29Å; Y235-Y325 HydrophobicContact CE2-CD1 4Å; Y235-Y325 AromaticContact CE2-CE1 3.62Å; Y235-Y325 HydrophobicContact CE2-CE1 3.62Å; Y235-Y325 AromaticContact CZ-CE1 3.54Å; Y235-Y325 WeakPolarHBondContact OH-CE1 3.17Å
236L86.1Confident88.5Confident81 Ų8172.7 Ų72.742%0.42433%0.332SS..  trans-69159.2167.3-60.7175000110.4E238 E239 L240L236-E238 VanDerWaalsContact C-N 3.28Å; L236-E238 PolarHBondContact O-N 2.89Å; L236-E239 HydrophobicContact CB-CB 4.46Å; L236-E239 HydrophobicContact CB-CG 4.04Å; L236-E239 WeakPolarHBondContact CB-OE2 3.43Å; L236-E239 PolarHBondContact N-OE2 3.42Å; L236-E239 PolarHBondContact O-N 3.31Å; L236-L240 PolarHBondContact O-N 2.86Å
237R84.6Confident88Confident99 Ų9974.6 Ų74.637%0.37435%0.349SS..Hα-helixtrans-65.5-37.7-178.5176.8176.4-81.9-147.2-5.7110.8L240 Q241 E362R237-L240 PolarHBondContact O-N 2.94Å; R237-Q241 VanDerWaalsContact O-CG 3.29Å; R237-Q241 WeakPolarHBondContact O-CG 3.38Å; R237-Q241 PolarHBondContact O-N 3.45Å; R237-E362 IonicContact CZ-OE1 3.71Å; R237-E362 VanDerWaalsContact CZ-OE1 3.26Å; R237-E362 IonicContact NE-OE1 2.68Å; R237-E362 PolarHBondContact NE-OE1 3.32Å; R237-E362 IonicContact NH2-OE1 3.96Å; R237-E362 PolarHBondContact NH2-OE1 3.3Å
238E84.9Confident87.7Confident100 Ų10069.6 Ų69.647%0.46733%0.327SS..Hα-helixtrans-68.2-37.6-179-58.169.1-151.900111.3L236 Q242L236-E238 VanDerWaalsContact C-N 3.28Å; L236-E238 PolarHBondContact O-N 2.89Å; E238-Q242 VanDerWaalsContact O-CG 3.3Å; E238-Q242 WeakPolarHBondContact O-CG 3.36Å; E238-Q242 PolarHBondContact O-N 3.25Å; E238-Q242 VanDerWaalsContact O-N 3.11Å
239E86.5Confident87.5Confident83 Ų8374.8 Ų74.839%0.38835%0.354SS..Hα-helixtrans-65.4-46.1175-66.3174.4138.800110.8L236 Q241 Q242 M243L236-E239 HydrophobicContact CB-CB 4.46Å; L236-E239 HydrophobicContact CB-CG 4.04Å; L236-E239 WeakPolarHBondContact CB-OE2 3.43Å; L236-E239 PolarHBondContact N-OE2 3.42Å; L236-E239 PolarHBondContact O-N 3.31Å; E239-Q241 PolarHBondContact O-N 2.93Å; E239-Q242 PolarHBondContact O-N 3.49Å; E239-M243 HydrophobicContact CB-CE 4.41Å; E239-M243 WeakPolarHBondContact O-CE 3.49Å; E239-M243 WeakPolarHBondContact O-CG 3.24Å; E239-M243 PolarHBondContact O-N 3.15Å; E239-M243 VanDerWaalsContact O-N 3.14Å
240L86.5Confident87.3Confident5 Ų580.7 Ų80.73%0.02638%0.381CS..Hα-helixtrans-62.2-42.4177-69.6167.7000111.6Y235 L236 R237 Q242 M243 T244 R315 A316 Y325Y235-L240 HydrophobicContact CD2-CD2 4.1Å; Y235-L240 HydrophobicContact CG-CD2 4.08Å; Y235-L240 HydrophobicContact CG-CG 4.42Å; L236-L240 PolarHBondContact O-N 2.86Å; R237-L240 PolarHBondContact O-N 2.94Å; L240-Q242 VanDerWaalsContact C-N 3.33Å; L240-Q242 PolarHBondContact O-N 3.24Å; L240-M243 HydrophobicContact CD2-CE 4.14Å; L240-M243 PolarHBondContact O-N 3.34Å; L240-M243 VanDerWaalsContact O-N 3.09Å; L240-T244 PolarHBondContact O-N 3.45Å; L240-T244 VanDerWaalsContact O-N 3.11Å; L240-T244 PolarHBondContact O-OG1 3.33Å; L240-R315 HydrophobicContact CD1-CB 4.48Å; L240-R315 WeakPolarHBondContact CD1-O 3.29Å; L240-A316 HydrophobicContact CD1-CB 4.34Å; L240-A316 HydrophobicContact CD2-CB 4.18Å; L240-Y325 HydrophobicContact CD2-CG 4.3Å
241Q82.5Confident87.3Confident115 Ų11584.7 Ų84.754%0.53740%0.399SS..Hα-helixtrans-60.3-39.1175.6-76.2173.4-10.100113R237 E239 M243 T244R237-Q241 VanDerWaalsContact O-CG 3.29Å; R237-Q241 WeakPolarHBondContact O-CG 3.38Å; R237-Q241 PolarHBondContact O-N 3.45Å; E239-Q241 PolarHBondContact O-N 2.93Å; Q241-M243 VanDerWaalsContact C-N 3.3Å; Q241-M243 PolarHBondContact O-N 3.28Å; Q241-T244 WeakPolarHBondContact CA-OG1 3.25Å; Q241-T244 PolarHBondContact O-N 3.24Å; Q241-T244 PolarHBondContact O-OG1 3.2Å
242Q84.4Confident87.3Confident147 Ų14782.7 Ų82.769%0.68739%0.389SS*.Hα-helixtrans-68-30.7175.3-71169.729.300112.4E238 E239 L240E238-Q242 VanDerWaalsContact O-CG 3.3Å; E238-Q242 WeakPolarHBondContact O-CG 3.36Å; E238-Q242 PolarHBondContact O-N 3.25Å; E238-Q242 VanDerWaalsContact O-N 3.11Å; E239-Q242 PolarHBondContact O-N 3.49Å; L240-Q242 VanDerWaalsContact C-N 3.33Å; L240-Q242 PolarHBondContact O-N 3.24Å
243M85.8Confident87.4Confident29 Ų2983.4 Ų83.414%0.14339%0.394CS..Hα-helixtrans-85.7-9.1179.9-67-174.9-66.500114.4Y235 E239 L240 Q241 W245 Q246 Y325 Y330Y235-M243 HydrophobicContact CD1-CE 4.06Å; Y235-M243 HydrophobicContact CE1-CE 4.33Å; E239-M243 HydrophobicContact CB-CE 4.41Å; E239-M243 WeakPolarHBondContact O-CE 3.49Å; E239-M243 WeakPolarHBondContact O-CG 3.24Å; E239-M243 PolarHBondContact O-N 3.15Å; E239-M243 VanDerWaalsContact O-N 3.14Å; L240-M243 HydrophobicContact CD2-CE 4.14Å; L240-M243 PolarHBondContact O-N 3.34Å; L240-M243 VanDerWaalsContact O-N 3.09Å; Q241-M243 VanDerWaalsContact C-N 3.3Å; Q241-M243 PolarHBondContact O-N 3.28Å; M243-W245 PolarHBondContact O-N 2.96Å; M243-Q246 WeakPolarHBondContact O-CB 3.46Å; M243-Q246 PolarHBondContact O-N 2.9Å; M243-Y325 HydrophobicContact CB-CD2 4.48Å; M243-Y325 HydrophobicContact CB-CE2 4.09Å; M243-Y325 HydrophobicContact CE-CD2 4.42Å; M243-Y325 HydrophobicContact CE-CE2 3.7Å; M243-Y325 HydrophobicContact CG-CE2 4.41Å; M243-Y325 HydrophobicContact SD-CE2 3.53Å; M243-Y325 VanDerWaalsContact SD-CE2 3.53Å; M243-Y325 PolarHBondContact SD-OH 2.64Å; M243-Y330 HydrophobicContact CB-CE2 4.34Å; M243-Y330 WeakPolarHBondContact O-CD2 3.26Å
244T78.4Confident87.7Confident45 Ų4587 Ų8728%0.27641%0.409SS..THydrogen-bonded Turntrans-53.7-32-177.4-27.30000114.1L240 Q241 Q246 D318L240-T244 PolarHBondContact O-N 3.45Å; L240-T244 VanDerWaalsContact O-N 3.11Å; L240-T244 PolarHBondContact O-OG1 3.33Å; Q241-T244 WeakPolarHBondContact CA-OG1 3.25Å; Q241-T244 PolarHBondContact O-N 3.24Å; Q241-T244 PolarHBondContact O-OG1 3.2Å; T244-Q246 VanDerWaalsContact C-N 3.3Å; T244-Q246 PolarHBondContact O-N 2.94Å; T244-D318 HydrophobicContact CG2-CB 4.5Å
245W75.3Confident88.2Confident238 Ų23886.6 Ų86.690%0.90241%0.414SS*.THydrogen-bonded Turntrans-78.6-9.6178.6-57.699.2000114.1M243 A247M243-W245 PolarHBondContact O-N 2.96Å; W245-A247 VanDerWaalsContact C-N 3.33Å; W245-A247 PolarHBondContact O-N 3.07Å; W245-A247 VanDerWaalsContact O-N 3.12Å
246Q84.9Confident88.7Confident96 Ų9684.5 Ų84.545%0.44941%0.406SS..  trans-8870.1-178.9-56.5-175.317.300110.1M243 T244 K329 Y330M243-Q246 WeakPolarHBondContact O-CB 3.46Å; M243-Q246 PolarHBondContact O-N 2.9Å; T244-Q246 VanDerWaalsContact C-N 3.3Å; T244-Q246 PolarHBondContact O-N 2.94Å; Q246-K329 HydrophobicContact CB-CG 4.3Å; Q246-K329 CarbonylContact O-C 3.46Å; Q246-K329 WeakPolarHBondContact O-CA 3.38Å; Q246-K329 WeakPolarHBondContact O-CB 3.28Å; Q246-K329 WeakPolarHBondContact O-CG 3.25Å; Q246-Y330 PolarHBondContact O-N 3.3Å
247A88.4Confident89.2Confident53 Ų5383.7 Ų83.744%0.43840%0.4SS..BIsolated β-bridgetrans-77.1160.1172.700000111.9W245W245-A247 VanDerWaalsContact C-N 3.33Å; W245-A247 PolarHBondContact O-N 3.07Å; W245-A247 VanDerWaalsContact O-N 3.12Å
248F91.6Very high89.8Confident29 Ų2983.4 Ų83.413%0.12741%0.413CS..PPolyproline II helixtrans-68.6135.4166.9-81-99.2000111E252 V253 Y256 F326 K329 Y330 A331 V335F248-E252 HydrophobicContact CD1-CB 3.77Å; F248-V253 HydrophobicContact CB-CG2 3.83Å; F248-Y256 HydrophobicContact CD1-CD2 4.48Å; F248-Y256 AromaticContact CE1-CD2 3.89Å; F248-Y256 HydrophobicContact CE1-CD2 3.89Å; F248-Y256 AromaticContact CE1-CE2 3.6Å; F248-Y256 HydrophobicContact CE1-CE2 3.6Å; F248-Y256 HydrophobicContact CZ-CE2 4.25Å; F248-F326 WeakPolarHBondContact CE2-O 3.45Å; F248-K329 HydrophobicContact CD2-CB 3.55Å; F248-K329 HydrophobicContact CD2-CD 4.45Å; F248-K329 HydrophobicContact CE2-CB 3.38Å; F248-K329 HydrophobicContact CG-CB 4.33Å; F248-K329 HydrophobicContact CG-CD 4.44Å; F248-K329 HydrophobicContact CZ-CB 4.02Å; F248-Y330 PolarHBondContact N-O 3.48Å; F248-A331 HydrophobicContact CD2-CB 3.85Å; F248-A331 HydrophobicContact CE2-CB 3.69Å; F248-V335 HydrophobicContact CB-CG2 4.47Å; F248-V335 HydrophobicContact CD1-CG2 4.4Å; F248-V335 HydrophobicContact CD2-CG2 4.28Å; F248-V335 HydrophobicContact CG-CG2 4.14Å
249L92.8Very high90.3Very high115 Ų11581.1 Ų81.160%0.60240%0.401SS*.PPolyproline II helixtrans-77.9156.7167.7-59.2177.6000110.5E251 E252 V253L249-E251 VanDerWaalsContact C-N 3.32Å; L249-E251 PolarHBondContact O-N 3.49Å; L249-E252 HydrophobicContact CB-CG 4.2Å; L249-E252 PolarHBondContact N-OE2 3.43Å; L249-E252 WeakPolarHBondContact O-CA 3.46Å; L249-E252 WeakPolarHBondContact O-CB 3.37Å; L249-E252 PolarHBondContact O-N 2.91Å; L249-V253 PolarHBondContact O-N 3.43Å
250Q93.9Very high90.8Very high123 Ų12380.4 Ų80.458%0.57540%0.404SS*.Hα-helixtrans-52.9-46-177.9-178.860.127.200113E252 V253 E254Q250-E252 VanDerWaalsContact C-N 3.25Å; Q250-E252 PolarHBondContact O-N 3.44Å; Q250-V253 WeakPolarHBondContact O-CB 3.29Å; Q250-V253 PolarHBondContact O-N 3.22Å; Q250-V253 VanDerWaalsContact O-N 3.15Å; Q250-E254 WeakPolarHBondContact CG-OE1 3.28Å; Q250-E254 PolarHBondContact NE2-OE1 3.33Å; Q250-E254 WeakPolarHBondContact O-CG 3.49Å; Q250-E254 PolarHBondContact O-N 3.11Å
251E95.1Very high91.3Very high157 Ų15784 Ų8473%0.73442%0.417SS*.Hα-helixtrans-60.3-33.7176.7-61173.3-172.700112.6L249 S255L249-E251 VanDerWaalsContact C-N 3.32Å; L249-E251 PolarHBondContact O-N 3.49Å; E251-S255 WeakPolarHBondContact O-CB 3.46Å; E251-S255 PolarHBondContact O-N 2.76Å
252E95.4Very high91.9Very high60 Ų6081.1 Ų81.128%0.2840%0.403SS..Hα-helixtrans-74.3-39.6176.5-56.9179.6111.900111F248 L249 Q250 E254 S255 Y256 K329F248-E252 HydrophobicContact CD1-CB 3.77Å; L249-E252 HydrophobicContact CB-CG 4.2Å; L249-E252 PolarHBondContact N-OE2 3.43Å; L249-E252 WeakPolarHBondContact O-CA 3.46Å; L249-E252 WeakPolarHBondContact O-CB 3.37Å; L249-E252 PolarHBondContact O-N 2.91Å; Q250-E252 VanDerWaalsContact C-N 3.25Å; Q250-E252 PolarHBondContact O-N 3.44Å; E252-E254 VanDerWaalsContact C-N 3.32Å; E252-E254 PolarHBondContact O-N 3.19Å; E252-S255 WeakPolarHBondContact O-CB 3.07Å; E252-S255 PolarHBondContact O-N 3.11Å; E252-Y256 WeakPolarHBondContact O-CD2 3.2Å; E252-Y256 PolarHBondContact O-N 2.8Å; E252-K329 IonicContact OE1-NZ 2.68Å; E252-K329 PolarHBondContact OE1-NZ 3.37Å; E252-K329 IonicContact OE2-NZ 3.71Å; E252-K329 PolarHBondContact OE2-NZ 3.4Å
253V96.2Very high92.5Very high17 Ų1777.2 Ų77.210%0.10339%0.39CS..Hα-helixtrans-59.2-45.5172.6-179.10000110F248 L249 Q250 S255 Y256 Q257 D334 V335F248-V253 HydrophobicContact CB-CG2 3.83Å; L249-V253 PolarHBondContact O-N 3.43Å; Q250-V253 WeakPolarHBondContact O-CB 3.29Å; Q250-V253 PolarHBondContact O-N 3.22Å; Q250-V253 VanDerWaalsContact O-N 3.15Å; V253-S255 PolarHBondContact O-N 2.97Å; V253-Y256 CarbonylContact O-C 3.57Å; V253-Y256 WeakPolarHBondContact O-CA 3.04Å; V253-Y256 WeakPolarHBondContact O-CB 3.32Å; V253-Y256 PolarHBondContact O-N 2.71Å; V253-Q257 HydrophobicContact CG1-CG 4.26Å; V253-Q257 WeakPolarHBondContact O-CG 3.42Å; V253-Q257 PolarHBondContact O-N 2.99Å; V253-D334 HydrophobicContact CG1-CB 3.96Å; V253-V335 HydrophobicContact CG1-CG2 4.36Å; V253-V335 HydrophobicContact CG2-CG2 4.03Å
254E96.3Very high93Very high98 Ų9875.9 Ų75.946%0.45838%0.383SS..Hα-helixtrans-63.3-38.9176.9-71.6169.9-165.400112.4Q250 E252 Y256 Q257 S258Q250-E254 WeakPolarHBondContact CG-OE1 3.28Å; Q250-E254 PolarHBondContact NE2-OE1 3.33Å; Q250-E254 WeakPolarHBondContact O-CG 3.49Å; Q250-E254 PolarHBondContact O-N 3.11Å; E252-E254 VanDerWaalsContact C-N 3.32Å; E252-E254 PolarHBondContact O-N 3.19Å; E254-Y256 PolarHBondContact O-N 2.6Å; E254-Q257 PolarHBondContact O-N 3.31Å; E254-S258 WeakPolarHBondContact O-CB 3.44Å; E254-S258 PolarHBondContact O-N 3.45Å; E254-S258 PolarHBondContact O-OG 2.79Å
255S96.6Very high93.9Very high64 Ų6474.2 Ų74.245%0.44837%0.372SS..Hα-helixtrans-62.3-23.6171-179.30000113.4E251 E252 V253 S258 K259E251-S255 WeakPolarHBondContact O-CB 3.46Å; E251-S255 PolarHBondContact O-N 2.76Å; E252-S255 WeakPolarHBondContact O-CB 3.07Å; E252-S255 PolarHBondContact O-N 3.11Å; V253-S255 PolarHBondContact O-N 2.97Å; S255-S258 WeakPolarHBondContact CA-OG 3.26Å; S255-S258 PolarHBondContact O-OG 3.16Å; S255-K259 VanDerWaalsContact O-CG 3.24Å; S255-K259 WeakPolarHBondContact O-CG 3.39Å; S255-K259 PolarHBondContact O-NZ 3.34Å
256Y96.8Very high94.9Very high21 Ų2165.5 Ų65.58%0.08234%0.341CS..Hα-helixtrans-87.4-39.7173.9-95.2-92.7000113.3F248 E252 V253 E254 S258 K259 M264 L267 F326 D327 V335 S338F248-Y256 HydrophobicContact CD1-CD2 4.48Å; F248-Y256 AromaticContact CE1-CD2 3.89Å; F248-Y256 HydrophobicContact CE1-CD2 3.89Å; F248-Y256 AromaticContact CE1-CE2 3.6Å; F248-Y256 HydrophobicContact CE1-CE2 3.6Å; F248-Y256 HydrophobicContact CZ-CE2 4.25Å; E252-Y256 WeakPolarHBondContact O-CD2 3.2Å; E252-Y256 PolarHBondContact O-N 2.8Å; V253-Y256 CarbonylContact O-C 3.57Å; V253-Y256 WeakPolarHBondContact O-CA 3.04Å; V253-Y256 WeakPolarHBondContact O-CB 3.32Å; V253-Y256 PolarHBondContact O-N 2.71Å; E254-Y256 PolarHBondContact O-N 2.6Å; Y256-S258 VanDerWaalsContact C-N 3.31Å; Y256-S258 PolarHBondContact O-N 3.33Å; Y256-K259 HydrophobicContact CD1-CD 4.24Å; Y256-K259 WeakPolarHBondContact O-CG 3.34Å; Y256-K259 PolarHBondContact O-N 2.96Å; Y256-M264 HydrophobicContact CD1-CE 3.78Å; Y256-M264 HydrophobicContact CD1-SD 3.77Å; Y256-M264 HydrophobicContact CE1-CE 4.1Å; Y256-M264 HydrophobicContact CE1-SD 4.02Å; Y256-L267 HydrophobicContact CE1-CD2 3.62Å; Y256-F326 AromaticContact CE1-CE1 3.88Å; Y256-F326 HydrophobicContact CE1-CE1 3.88Å; Y256-D327 PolarHBondContact OH-OD2 3.37Å; Y256-V335 HydrophobicContact CD1-CG1 3.66Å; Y256-V335 HydrophobicContact CD2-CG1 4.5Å; Y256-V335 HydrophobicContact CE1-CG1 4.23Å; Y256-V335 HydrophobicContact CG-CG1 3.8Å; Y256-S338 WeakPolarHBondContact O-CB 3.39Å; Y256-S338 PolarHBondContact O-OG 2.81Å
257Q96.6Very high95.5Very high64 Ų6462.6 Ų62.630%0.29933%0.329SS..Hα-helixtrans-67.4-30176-69-175-5.900113.1V253 E254 D334 K337V253-Q257 HydrophobicContact CG1-CG 4.26Å; V253-Q257 WeakPolarHBondContact O-CG 3.42Å; V253-Q257 PolarHBondContact O-N 2.99Å; E254-Q257 PolarHBondContact O-N 3.31Å; Q257-D334 VanDerWaalsContact CG-O 3.22Å; Q257-D334 WeakPolarHBondContact CG-O 3.19Å; Q257-D334 PolarHBondContact NE2-O 3.48Å; Q257-K337 HydrophobicContact CG-CB 4.17Å; Q257-K337 HydrophobicContact CG-CD 4.37Å
258S96.6Very high95.9Very high92 Ų9260.8 Ų60.864%0.64331%0.312SS*.THydrogen-bonded Turntrans-82.9-3.2177540000114.7E254 S255 Y256E254-S258 WeakPolarHBondContact O-CB 3.44Å; E254-S258 PolarHBondContact O-N 3.45Å; E254-S258 PolarHBondContact O-OG 2.79Å; S255-S258 WeakPolarHBondContact CA-OG 3.26Å; S255-S258 PolarHBondContact O-OG 3.16Å; Y256-S258 VanDerWaalsContact C-N 3.31Å; Y256-S258 PolarHBondContact O-N 3.33Å
259K95.9Very high96.1Very high53 Ų5359.4 Ų59.423%0.2331%0.307CS..SBendtrans-66.4141.5177.7-61.6-167.8-167-40.20110.9S255 Y256 R261 M264 S338S255-K259 VanDerWaalsContact O-CG 3.24Å; S255-K259 WeakPolarHBondContact O-CG 3.39Å; S255-K259 PolarHBondContact O-NZ 3.34Å; Y256-K259 HydrophobicContact CD1-CD 4.24Å; Y256-K259 WeakPolarHBondContact O-CG 3.34Å; Y256-K259 PolarHBondContact O-N 2.96Å; K259-R261 PolarHBondContact O-N 3.48Å; K259-M264 HydrophobicContact CD-SD 4.38Å; K259-S338 WeakPolarHBondContact O-CB 3.36Å
260P97.1Very high96.3Very high68 Ų6856.5 Ų56.544%0.44229%0.291SS..  trans-55.1140.8166.3-2232.5000110.6E262 V263 M264P260-E262 HydrophobicContact CB-CG 4.46Å; P260-E262 VanDerWaalsContact CB-OE1 3.26Å; P260-E262 WeakPolarHBondContact CB-OE1 3.42Å; P260-E262 PolarHBondContact O-N 2.9Å; P260-V263 HydrophobicContact CB-CG2 4.09Å; P260-V263 HydrophobicContact CG-CG2 4.2Å; P260-V263 WeakPolarHBondContact O-CB 3.49Å; P260-V263 PolarHBondContact O-N 3.15Å; P260-M264 PolarHBondContact O-N 2.88Å
261R96.5Very high96.3Very high79 Ų7953.3 Ų53.330%0.29828%0.275SS..Hα-helixtrans-53.7-44.2-173-176.1173.8-163.1-166.66.3111.5K259 V263 M264 W265 S338 L339 G340 F436K259-R261 PolarHBondContact O-N 3.48Å; R261-V263 VanDerWaalsContact C-N 3.34Å; R261-V263 PolarHBondContact O-N 3.41Å; R261-M264 PolarHBondContact O-N 3.45Å; R261-W265 WeakPolarHBondContact O-CB 3.41Å; R261-W265 VanDerWaalsContact O-CD1 3.29Å; R261-W265 PolarHBondContact O-N 3.05Å; R261-S338 WeakPolarHBondContact CA-O 3.26Å; R261-S338 WeakPolarHBondContact CG-O 3.49Å; R261-L339 PolarHBondContact NE-O 3.31Å; R261-L339 PolarHBondContact NH2-O 2.9Å; R261-G340 PolarHBondContact NH2-O 3.44Å; R261-F436 HydrophobicContact CG-CD2 4.49Å; R261-F436 HydrophobicContact CG-CE2 4.35Å
262E96Very high96.4Very high55 Ų5547.5 Ų47.526%0.25725%0.249SC..Hα-helixtrans-63.8-33.4-179.966.6-81.6-170.300113.9P260 Q266 F436 Y440 I443P260-E262 HydrophobicContact CB-CG 4.46Å; P260-E262 VanDerWaalsContact CB-OE1 3.26Å; P260-E262 WeakPolarHBondContact CB-OE1 3.42Å; P260-E262 PolarHBondContact O-N 2.9Å; E262-Q266 WeakPolarHBondContact O-CB 3.2Å; E262-Q266 PolarHBondContact O-N 2.85Å; E262-F436 HydrophobicContact CB-CE2 4.15Å; E262-F436 HydrophobicContact CB-CZ 3.9Å; E262-Y440 HydrophobicContact CB-CD1 4.07Å; E262-Y440 HydrophobicContact CB-CE1 4.2Å; E262-Y440 HydrophobicContact CB-CG 4.42Å; E262-Y440 HydrophobicContact CG-CE1 4.49Å; E262-I443 HydrophobicContact CB-CG1 4.18Å; E262-I443 HydrophobicContact CB-CG2 4.19Å; E262-I443 HydrophobicContact CG-CG1 4.46Å
263V96.3Very high96.4Very high66 Ų6645 Ų4540%0.424%0.237SC..Hα-helixtrans-71.4-43175.3177.10000110.4P260 R261 Q266 L267P260-V263 HydrophobicContact CB-CG2 4.09Å; P260-V263 HydrophobicContact CG-CG2 4.2Å; P260-V263 WeakPolarHBondContact O-CB 3.49Å; P260-V263 PolarHBondContact O-N 3.15Å; R261-V263 VanDerWaalsContact C-N 3.34Å; R261-V263 PolarHBondContact O-N 3.41Å; V263-Q266 PolarHBondContact O-N 3.3Å; V263-L267 PolarHBondContact O-N 2.88Å
264M96.9Very high96.3Very high0 Ų047.3 Ų47.30%025%0.247CC..Hα-helixtrans-67.4-40.4177.8-167.860.6-179.400111.7Y256 K259 P260 R261 Q266 L267 C268 F326 V335 F336 S338 L339Y256-M264 HydrophobicContact CD1-CE 3.78Å; Y256-M264 HydrophobicContact CD1-SD 3.77Å; Y256-M264 HydrophobicContact CE1-CE 4.1Å; Y256-M264 HydrophobicContact CE1-SD 4.02Å; K259-M264 HydrophobicContact CD-SD 4.38Å; P260-M264 PolarHBondContact O-N 2.88Å; R261-M264 PolarHBondContact O-N 3.45Å; M264-Q266 PolarHBondContact O-N 2.95Å; M264-L267 PolarHBondContact O-N 3.49Å; M264-L267 HydrophobicContact SD-CD2 4.08Å; M264-C268 PolarHBondContact O-N 3.4Å; M264-F326 HydrophobicContact CE-CE1 4.09Å; M264-F326 HydrophobicContact CE-CZ 4.16Å; M264-V335 WeakPolarHBondContact CE-O 3.33Å; M264-F336 HydrophobicContact CE-CD1 3.83Å; M264-F336 HydrophobicContact CE-CE1 4.31Å; M264-S338 WeakPolarHBondContact CG-OG 3.49Å; M264-L339 HydrophobicContact CB-CD2 4.01Å; M264-L339 HydrophobicContact CB-CG 4.49Å; M264-L339 HydrophobicContact CG-CD2 3.63Å; M264-L339 HydrophobicContact CG-CG 3.75Å
265W97.3Very high96.3Very high10 Ų1043.8 Ų43.84%0.03824%0.235CC..Hα-helixtrans-61.1-42.7173.2-92.691.6000112.4R261 C268 A269 L339 K432 L433 F436 F448R261-W265 WeakPolarHBondContact O-CB 3.41Å; R261-W265 VanDerWaalsContact O-CD1 3.29Å; R261-W265 PolarHBondContact O-N 3.05Å; W265-C268 PolarHBondContact O-N 3.25Å; W265-A269 WeakPolarHBondContact O-CB 3.22Å; W265-A269 PolarHBondContact O-N 2.99Å; W265-L339 HydrophobicContact CB-CD2 4.29Å; W265-L339 HydrophobicContact CD2-CD2 4.06Å; W265-L339 HydrophobicContact CG-CD2 3.75Å; W265-L339 PolarHBondContact NE1-O 2.84Å; W265-K432 HydrophobicContact CH2-CB 3.84Å; W265-K432 HydrophobicContact CZ2-CB 4.01Å; W265-L433 HydrophobicContact CE3-CD1 4.48Å; W265-L433 HydrophobicContact CH2-CB 4.47Å; W265-L433 HydrophobicContact CZ3-CB 4.22Å; W265-L433 HydrophobicContact CZ3-CD1 4.12Å; W265-F436 HydrophobicContact CB-CD1 4.44Å; W265-F436 HydrophobicContact CB-CD2 4.22Å; W265-F436 HydrophobicContact CB-CE1 4.03Å; W265-F436 HydrophobicContact CB-CE2 3.79Å; W265-F436 HydrophobicContact CB-CZ 3.71Å; W265-F436 AromaticContact CD1-CD2 3.52Å; W265-F436 AromaticContact CD1-CE2 3.67Å; W265-F436 HydrophobicContact CD2-CB 4.28Å; W265-F436 HydrophobicContact CD2-CD1 4.24Å; W265-F436 AromaticContact CD2-CD2 3.99Å; W265-F436 HydrophobicContact CD2-CD2 3.99Å; W265-F436 HydrophobicContact CD2-CE2 4.46Å; W265-F436 AromaticContact CD2-CG 3.88Å; W265-F436 HydrophobicContact CD2-CG 3.88Å; W265-F436 HydrophobicContact CE3-CD1 4.4Å; W265-F436 HydrophobicContact CE3-CG 4.36Å; W265-F436 HydrophobicContact CG-CD1 4.26Å; W265-F436 AromaticContact CG-CD2 3.63Å; W265-F436 HydrophobicContact CG-CD2 3.63Å; W265-F436 HydrophobicContact CG-CE1 4.31Å; W265-F436 AromaticContact CG-CE2 3.68Å; W265-F436 HydrophobicContact CG-CE2 3.68Å; W265-F436 AromaticContact CG-CG 3.95Å; W265-F436 HydrophobicContact CG-CG 3.95Å; W265-F436 HydrophobicContact CG-CZ 4.04Å; W265-F436 HydrophobicContact CZ2-CB 4.3Å; W265-F436 AromaticContact NE1-CD2 3.78Å; W265-F448 HydrophobicContact CB-CE1 4.5Å; W265-F448 HydrophobicContact CB-CZ 4.1Å; W265-F448 HydrophobicContact CE3-CZ 4.4Å
266Q96.4Very high96.3Very high56 Ų5640.8 Ų40.826%0.26221%0.214SC..Hα-helixtrans-61.2-44.1173.8-176.6-172.5-8.800111.8E262 V263 M264 A269 I270 H447 F448E262-Q266 WeakPolarHBondContact O-CB 3.2Å; E262-Q266 PolarHBondContact O-N 2.85Å; V263-Q266 PolarHBondContact O-N 3.3Å; M264-Q266 PolarHBondContact O-N 2.95Å; Q266-A269 PolarHBondContact O-N 3.01Å; Q266-I270 HydrophobicContact CG-CD1 4.07Å; Q266-I270 VanDerWaalsContact O-CG1 3.32Å; Q266-I270 WeakPolarHBondContact O-CG1 3.28Å; Q266-I270 PolarHBondContact O-N 3.31Å; Q266-H447 HydrophobicContact CG-CB 4.21Å; Q266-F448 HydrophobicContact CB-CE1 4.35Å
267L95.8Very high96.3Very high35 Ų3544.5 Ų44.518%0.18323%0.232CC..Hα-helixtrans-61.2-48.4178.3178.961000111.6Y256 V263 M264 A269 I270 K271 F326Y256-L267 HydrophobicContact CE1-CD2 3.62Å; V263-L267 PolarHBondContact O-N 2.88Å; M264-L267 PolarHBondContact O-N 3.49Å; M264-L267 HydrophobicContact SD-CD2 4.08Å; L267-A269 VanDerWaalsContact C-N 3.35Å; L267-A269 PolarHBondContact O-N 3.49Å; L267-I270 WeakPolarHBondContact O-CB 3.4Å; L267-I270 PolarHBondContact O-N 2.54Å; L267-K271 PolarHBondContact O-N 2.91Å; L267-F326 HydrophobicContact CD2-CE1 4.12Å; L267-F326 HydrophobicContact CD2-CZ 4.03Å; L267-F326 HydrophobicContact CG-CZ 4.05Å
268C97.3Very high96.3Very high14 Ų1445.8 Ų45.810%0.09524%0.235CC..Hα-helixtrans-62-41175.7-70.80000112M264 W265 I270 K271 I272 L339M264-C268 PolarHBondContact O-N 3.4Å; W265-C268 PolarHBondContact O-N 3.25Å; C268-I270 VanDerWaalsContact C-N 3.3Å; C268-I270 PolarHBondContact O-N 3.32Å; C268-K271 PolarHBondContact O-N 3.08Å; C268-I272 WeakPolarHBondContact O-CB 3.33Å; C268-I272 VanDerWaalsContact O-CG1 3.27Å; C268-I272 WeakPolarHBondContact O-CG1 3.22Å; C268-I272 PolarHBondContact O-N 3.23Å; C268-L339 HydrophobicContact CB-CD2 4.44Å
269A97.1Very high96.3Very high1 Ų141.5 Ų41.51%0.00821%0.205CC..Hα-helixtrans-61-37.1174.700000112.3W265 Q266 L267 T273 F448 Y452W265-A269 WeakPolarHBondContact O-CB 3.22Å; W265-A269 PolarHBondContact O-N 2.99Å; Q266-A269 PolarHBondContact O-N 3.01Å; L267-A269 VanDerWaalsContact C-N 3.35Å; L267-A269 PolarHBondContact O-N 3.49Å; A269-T273 VanDerWaalsContact O-CB 3.25Å; A269-T273 WeakPolarHBondContact O-CB 3.44Å; A269-T273 PolarHBondContact O-N 3.3Å; A269-T273 PolarHBondContact O-OG1 3.44Å; A269-F448 HydrophobicContact CB-CD1 4.45Å; A269-F448 HydrophobicContact CB-CD2 3.9Å; A269-F448 HydrophobicContact CB-CE2 3.97Å; A269-F448 HydrophobicContact CB-CG 4.15Å; A269-F448 HydrophobicContact CB-CZ 4.3Å; A269-Y452 HydrophobicContact CB-CD1 4.31Å; A269-Y452 HydrophobicContact CB-CD2 3.85Å; A269-Y452 HydrophobicContact CB-CE1 4.34Å; A269-Y452 HydrophobicContact CB-CE2 3.92Å; A269-Y452 HydrophobicContact CB-CG 4.04Å
270I95.6Very high96.4Very high54 Ų5440.2 Ų40.228%0.27720%0.201SC..Hα-helixtrans-64-53173-69.4162.8000110.9Q266 L267 C268 I272 T273 E274 P449Q266-I270 HydrophobicContact CG-CD1 4.07Å; Q266-I270 VanDerWaalsContact O-CG1 3.32Å; Q266-I270 WeakPolarHBondContact O-CG1 3.28Å; Q266-I270 PolarHBondContact O-N 3.31Å; L267-I270 WeakPolarHBondContact O-CB 3.4Å; L267-I270 PolarHBondContact O-N 2.54Å; C268-I270 VanDerWaalsContact C-N 3.3Å; C268-I270 PolarHBondContact O-N 3.32Å; I270-I272 PolarHBondContact O-N 3.33Å; I270-T273 WeakPolarHBondContact O-CA 3.41Å; I270-T273 VanDerWaalsContact O-CB 3.28Å; I270-T273 WeakPolarHBondContact O-CB 3.41Å; I270-T273 PolarHBondContact O-N 3.44Å; I270-E274 WeakPolarHBondContact O-CG 3.48Å; I270-E274 PolarHBondContact O-N 2.95Å; I270-P449 HydrophobicContact CG1-CG 3.84Å
271K95.4Very high96.4Very high55 Ų5539.3 Ų39.324%0.23919%0.191CC..Hα-helixtrans-62.9-40.8-178.6-60-53.4-174.1-179.30112.8L267 C268 T273 E274 A275 F326 D327L267-K271 PolarHBondContact O-N 2.91Å; C268-K271 PolarHBondContact O-N 3.08Å; K271-T273 VanDerWaalsContact C-N 3.3Å; K271-T273 PolarHBondContact O-N 3.22Å; K271-E274 WeakPolarHBondContact CD-OE2 3.4Å; K271-E274 PolarHBondContact O-N 3.33Å; K271-A275 PolarHBondContact O-N 3.09Å; K271-F326 HydrophobicContact CB-CE2 4.2Å; K271-F326 HydrophobicContact CG-CD2 4.38Å; K271-F326 HydrophobicContact CG-CE2 3.77Å; K271-F326 HydrophobicContact CG-CZ 4.33Å; K271-D327 WeakPolarHBondContact CE-OD1 3.27Å; K271-D327 IonicContact NZ-OD1 3.07Å; K271-D327 PolarHBondContact NZ-OD1 2.84Å
272I96.6Very high96.5Very high35 Ų3535.5 Ų35.518%0.17918%0.177CC..Hα-helixtrans-61.4-42172.9-69.4167.2000110.2C268 I270 E274 A275 I276 L306 Y452 F456C268-I272 WeakPolarHBondContact O-CB 3.33Å; C268-I272 VanDerWaalsContact O-CG1 3.27Å; C268-I272 WeakPolarHBondContact O-CG1 3.22Å; C268-I272 PolarHBondContact O-N 3.23Å; I270-I272 PolarHBondContact O-N 3.33Å; I272-E274 PolarHBondContact O-N 2.93Å; I272-A275 PolarHBondContact O-N 2.61Å; I272-I276 HydrophobicContact CG2-CD1 3.63Å; I272-I276 HydrophobicContact CG2-CG1 4.28Å; I272-I276 WeakPolarHBondContact O-CB 2.96Å; I272-I276 VanDerWaalsContact O-CG1 3.22Å; I272-I276 WeakPolarHBondContact O-CG1 3.17Å; I272-I276 PolarHBondContact O-N 3.09Å; I272-L306 HydrophobicContact CG2-CD1 4.15Å; I272-Y452 HydrophobicContact CB-CD2 4.44Å; I272-Y452 HydrophobicContact CB-CE2 4.22Å; I272-Y452 HydrophobicContact CD1-CE2 4.27Å; I272-Y452 HydrophobicContact CG2-CD2 4.17Å; I272-Y452 HydrophobicContact CG2-CE2 3.96Å; I272-F456 HydrophobicContact CG2-CE2 4.16Å; I272-F456 HydrophobicContact CG2-CZ 4.45Å
273T96.1Very high96.6Very high7 Ų732.9 Ų32.94%0.04317%0.165CC..Hα-helixtrans-61.5-44.3176.9-63.30000112.3A269 I270 K271 I276 Q277 P449 L451 Y452A269-T273 VanDerWaalsContact O-CB 3.25Å; A269-T273 WeakPolarHBondContact O-CB 3.44Å; A269-T273 PolarHBondContact O-N 3.3Å; A269-T273 PolarHBondContact O-OG1 3.44Å; I270-T273 WeakPolarHBondContact O-CA 3.41Å; I270-T273 VanDerWaalsContact O-CB 3.28Å; I270-T273 WeakPolarHBondContact O-CB 3.41Å; I270-T273 PolarHBondContact O-N 3.44Å; K271-T273 VanDerWaalsContact C-N 3.3Å; K271-T273 PolarHBondContact O-N 3.22Å; T273-I276 PolarHBondContact O-N 3.48Å; T273-Q277 WeakPolarHBondContact O-CG 3.24Å; T273-Q277 PolarHBondContact O-N 3.25Å; T273-Q277 VanDerWaalsContact O-N 3.14Å; T273-P449 HydrophobicContact CG2-CB 3.71Å; T273-P449 HydrophobicContact CG2-CG 4.24Å; T273-P449 WeakPolarHBondContact OG1-CB 3.47Å; T273-P449 WeakPolarHBondContact OG1-CG 3.28Å; T273-L451 HydrophobicContact CG2-CB 3.71Å; T273-L451 HydrophobicContact CG2-CD2 3.71Å; T273-L451 HydrophobicContact CG2-CG 3.88Å; T273-Y452 WeakPolarHBondContact OG1-CB 3.33Å
274E93.7Very high96.7Very high66 Ų6633 Ų3331%0.30816%0.159SC..Hα-helixtrans-58.4-51176.1-70.2170.9167.100110.4I270 K271 I272 I276 Q277 Y278I270-E274 WeakPolarHBondContact O-CG 3.48Å; I270-E274 PolarHBondContact O-N 2.95Å; K271-E274 WeakPolarHBondContact CD-OE2 3.4Å; K271-E274 PolarHBondContact O-N 3.33Å; I272-E274 PolarHBondContact O-N 2.93Å; E274-I276 VanDerWaalsContact C-N 3.33Å; E274-I276 PolarHBondContact O-N 3.5Å; E274-Q277 WeakPolarHBondContact O-CB 3.43Å; E274-Q277 PolarHBondContact O-N 3.3Å; E274-Q277 VanDerWaalsContact O-N 3.15Å; E274-Y278 VanDerWaalsContact O-CD2 3.23Å; E274-Y278 WeakPolarHBondContact O-CD2 3.33Å
275A95.8Very high96.7Very high25 Ų2535.4 Ų35.421%0.20717%0.169CC..Hα-helixtrans-59.3-40.2177.400000112.9K271 I272 Q277 Y278 V279 V309K271-A275 PolarHBondContact O-N 3.09Å; I272-A275 PolarHBondContact O-N 2.61Å; A275-Q277 VanDerWaalsContact C-N 3.34Å; A275-Q277 PolarHBondContact O-N 2.89Å; A275-Y278 WeakPolarHBondContact O-CB 3.36Å; A275-Y278 PolarHBondContact O-N 3.27Å; A275-V279 PolarHBondContact O-N 3.31Å; A275-V309 HydrophobicContact CB-CG1 4.05Å; A275-V309 HydrophobicContact CB-CG2 3.83Å
276I96.6Very high96.8Very high0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-65.1-33.5177.6-72.4172.6000112.3I272 T273 E274 Y278 V279 V280 V309 L451 L455 F456I272-I276 HydrophobicContact CG2-CD1 3.63Å; I272-I276 HydrophobicContact CG2-CG1 4.28Å; I272-I276 WeakPolarHBondContact O-CB 2.96Å; I272-I276 VanDerWaalsContact O-CG1 3.22Å; I272-I276 WeakPolarHBondContact O-CG1 3.17Å; I272-I276 PolarHBondContact O-N 3.09Å; T273-I276 PolarHBondContact O-N 3.48Å; E274-I276 VanDerWaalsContact C-N 3.33Å; E274-I276 PolarHBondContact O-N 3.5Å; I276-Y278 PolarHBondContact O-N 2.95Å; I276-V279 PolarHBondContact O-N 3.14Å; I276-V280 HydrophobicContact CG2-CG2 4.19Å; I276-V280 WeakPolarHBondContact O-CG2 3.38Å; I276-V280 PolarHBondContact O-N 3.19Å; I276-V309 HydrophobicContact CG1-CG2 3.89Å; I276-L451 HydrophobicContact CG2-CD1 3.9Å; I276-L451 HydrophobicContact CG2-CD2 4.13Å; I276-L451 HydrophobicContact CG2-CG 4.17Å; I276-L455 HydrophobicContact CD1-CD1 3.91Å; I276-L455 HydrophobicContact CG2-CD1 3.49Å; I276-L455 VanDerWaalsContact CG2-CD1 3.49Å; I276-F456 HydrophobicContact CD1-CE2 3.75Å; I276-F456 HydrophobicContact CD1-CZ 3.76Å
277Q95.6Very high96.8Very high100 Ų10035.6 Ų35.647%0.46717%0.172SC..Hα-helixtrans-58.8-38.8176.3-68.9174.523.100111.5T273 E274 A275 V280 E281 L451T273-Q277 WeakPolarHBondContact O-CG 3.24Å; T273-Q277 PolarHBondContact O-N 3.25Å; T273-Q277 VanDerWaalsContact O-N 3.14Å; E274-Q277 WeakPolarHBondContact O-CB 3.43Å; E274-Q277 PolarHBondContact O-N 3.3Å; E274-Q277 VanDerWaalsContact O-N 3.15Å; A275-Q277 VanDerWaalsContact C-N 3.34Å; A275-Q277 PolarHBondContact O-N 2.89Å; Q277-V280 PolarHBondContact O-N 2.88Å; Q277-E281 PolarHBondContact O-N 3.32Å; Q277-E281 VanDerWaalsContact O-N 3.08Å; Q277-L451 HydrophobicContact CB-CD2 4.4Å; Q277-L451 HydrophobicContact CG-CD2 3.27Å
278Y96.9Very high96.9Very high91 Ų9134.6 Ų34.636%0.35717%0.17SC..Hα-helixtrans-67.5-37.1174.2-71.2-76.9000112.7T232 Q234 E274 A275 I276 E281 F282T232-Y278 WeakPolarHBondContact O-CB 3.47Å; Q234-Y278 HydrophobicContact CB-CD2 4.1Å; Q234-Y278 HydrophobicContact CB-CE2 3.81Å; Q234-Y278 HydrophobicContact CG-CD2 4.47Å; Q234-Y278 HydrophobicContact CG-CE2 3.76Å; E274-Y278 VanDerWaalsContact O-CD2 3.23Å; E274-Y278 WeakPolarHBondContact O-CD2 3.33Å; A275-Y278 WeakPolarHBondContact O-CB 3.36Å; A275-Y278 PolarHBondContact O-N 3.27Å; I276-Y278 PolarHBondContact O-N 2.95Å; Y278-E281 PolarHBondContact O-N 2.73Å; Y278-F282 WeakPolarHBondContact O-CB 3.45Å; Y278-F282 PolarHBondContact O-N 2.98Å
279V98.1Very high96.9Very high1 Ų134 Ų341%0.00617%0.166CC..Hα-helixtrans-66.5-39.4173.6178.80000112.2A275 I276 E281 F282 A283 V308 V309A275-V279 PolarHBondContact O-N 3.31Å; I276-V279 PolarHBondContact O-N 3.14Å; V279-E281 VanDerWaalsContact C-N 3.34Å; V279-E281 PolarHBondContact O-N 2.86Å; V279-F282 WeakPolarHBondContact O-CB 3.37Å; V279-F282 PolarHBondContact O-N 3.18Å; V279-A283 WeakPolarHBondContact O-CB 3.4Å; V279-A283 PolarHBondContact O-N 2.91Å; V279-V308 HydrophobicContact CB-CG1 4.42Å; V279-V308 HydrophobicContact CG1-CB 3.85Å; V279-V308 HydrophobicContact CG1-CG1 3.83Å; V279-V308 HydrophobicContact CG1-CG2 4.3Å; V279-V308 HydrophobicContact CG2-CB 4.12Å; V279-V308 HydrophobicContact CG2-CG1 3.72Å; V279-V309 HydrophobicContact CG2-CG2 3.95Å
280V97.3Very high96.9Very high26 Ų2639 Ų3916%0.15819%0.19CC..Hα-helixtrans-65.2-37.8175.4172.50000111.5I276 Q277 K284 L301I276-V280 HydrophobicContact CG2-CG2 4.19Å; I276-V280 WeakPolarHBondContact O-CG2 3.38Å; I276-V280 PolarHBondContact O-N 3.19Å; Q277-V280 PolarHBondContact O-N 2.88Å; V280-K284 WeakPolarHBondContact O-CD 3.18Å; V280-K284 WeakPolarHBondContact O-CG 3.21Å; V280-K284 PolarHBondContact O-N 2.97Å; V280-L301 HydrophobicContact CG1-CD1 4.37Å; V280-L301 HydrophobicContact CG2-CD1 4.38Å; V280-L301 HydrophobicContact CG2-CD2 4.05Å
281E97.2Very high96.9Very high49 Ų4943 Ų4323%0.22921%0.208CC..Hα-helixtrans-71.8-36.3174.8-177.960.7-164.600112R92 T232 Q277 Y278 V279 R285R92-E281 IonicContact CZ-OE1 2.83Å; R92-E281 IonicContact NH2-OE1 3.55Å; R92-E281 PolarHBondContact NH2-OE1 3.4Å; T232-E281 HydrophobicContact CG2-CB 4.12Å; T232-E281 HydrophobicContact CG2-CG 3.72Å; Q277-E281 PolarHBondContact O-N 3.32Å; Q277-E281 VanDerWaalsContact O-N 3.08Å; Y278-E281 PolarHBondContact O-N 2.73Å; V279-E281 VanDerWaalsContact C-N 3.34Å; V279-E281 PolarHBondContact O-N 2.86Å; E281-R285 VanDerWaalsContact O-CD 3.27Å; E281-R285 WeakPolarHBondContact O-CD 3.27Å; E281-R285 WeakPolarHBondContact O-CG 3.43Å; E281-R285 IonicContact OE1-CZ 2.61Å; E281-R285 IonicContact OE1-NE 3.44Å; E281-R285 PolarHBondContact OE1-NE 3.43Å; E281-R285 IonicContact OE1-NH2 3.58Å
282F98.7Very high96.9Very high0 Ų040.8 Ų40.80%020%0.199CC..Hα-helixtrans-58.4-52.9172.4173.4-124.9000111.4I225 H229 T232 Y278 V279 K284 R285 I286 R312 A370I225-F282 HydrophobicContact CG2-CE2 4.23Å; I225-F282 HydrophobicContact CG2-CZ 4.08Å; H229-F282 HydrophobicContact CB-CD2 4.42Å; H229-F282 HydrophobicContact CB-CE2 3.91Å; T232-F282 HydrophobicContact CG2-CB 4.36Å; T232-F282 WeakPolarHBondContact OG1-CB 3.43Å; Y278-F282 WeakPolarHBondContact O-CB 3.45Å; Y278-F282 PolarHBondContact O-N 2.98Å; V279-F282 WeakPolarHBondContact O-CB 3.37Å; V279-F282 PolarHBondContact O-N 3.18Å; F282-K284 VanDerWaalsContact C-N 3.32Å; F282-K284 PolarHBondContact O-N 2.74Å; F282-R285 PolarHBondContact O-N 2.77Å; F282-I286 HydrophobicContact CD1-CD1 4.24Å; F282-I286 HydrophobicContact CE1-CD1 3.89Å; F282-I286 HydrophobicContact CE2-CD1 4.5Å; F282-I286 HydrophobicContact CE2-CG1 4.36Å; F282-I286 HydrophobicContact CZ-CD1 4.04Å; F282-I286 HydrophobicContact CZ-CG1 4.36Å; F282-I286 PolarHBondContact O-N 3.24Å; F282-R312 VanDerWaalsContact CD1-NH2 3.31Å; F282-A370 HydrophobicContact CE1-CB 4.39Å; F282-A370 HydrophobicContact CZ-CB 4.1Å
283A98.6Very high96.8Very high0 Ų040.8 Ų40.80%020%0.201CC..Hα-helixtrans-51.5-49.2-178.200000112.5V279 R285 I286 F289 L301 L373V279-A283 WeakPolarHBondContact O-CB 3.4Å; V279-A283 PolarHBondContact O-N 2.91Å; A283-R285 PolarHBondContact O-N 3.14Å; A283-R285 VanDerWaalsContact O-N 3.08Å; A283-I286 WeakPolarHBondContact O-CB 3.42Å; A283-I286 PolarHBondContact O-N 2.92Å; A283-I286 VanDerWaalsContact O-N 3.16Å; A283-F289 HydrophobicContact CB-CD1 4.23Å; A283-F289 HydrophobicContact CB-CD2 4.34Å; A283-F289 HydrophobicContact CB-CE1 3.97Å; A283-F289 HydrophobicContact CB-CE2 4.08Å; A283-F289 HydrophobicContact CB-CG 4.42Å; A283-F289 HydrophobicContact CB-CZ 3.89Å; A283-F289 WeakPolarHBondContact O-CB 3.35Å; A283-F289 WeakPolarHBondContact O-CD1 3.09Å; A283-F289 WeakPolarHBondContact O-CG 3.42Å; A283-L301 HydrophobicContact CB-CD2 3.78Å; A283-L373 HydrophobicContact CB-CD2 3.55Å
284K97.5Very high96.6Very high67 Ų6746.1 Ų46.129%0.29123%0.226SC..THydrogen-bonded Turntrans-60.8-19.4-179.9-67.6167.8-176.3170.10114.9M2 V280 F282 M290M2-K284 VanDerWaalsContact SD-CE 3.58Å; M2-K284 PolarHBondContact SD-NZ 3.35Å; M2-K284 VanDerWaalsContact SD-NZ 3.37Å; V280-K284 WeakPolarHBondContact O-CD 3.18Å; V280-K284 WeakPolarHBondContact O-CG 3.21Å; V280-K284 PolarHBondContact O-N 2.97Å; F282-K284 VanDerWaalsContact C-N 3.32Å; F282-K284 PolarHBondContact O-N 2.74Å; K284-M290 HydrophobicContact CB-CG 4.4Å; K284-M290 HydrophobicContact CB-SD 3.94Å; K284-M290 HydrophobicContact CG-SD 3.78Å; K284-M290 VanDerWaalsContact O-CG 3.27Å; K284-M290 WeakPolarHBondContact O-CG 3.48Å
285R98.1Very high96.6Very high52 Ų5245.6 Ų45.620%0.19623%0.225CC..THydrogen-bonded Turntrans-99.1-13-176.7-63.7163.3160.3-103.728.6112.7R92 N224 S228 E231 E281 F282 A283 D287R92-R285 VanDerWaalsContact NH1-NH2 3.16Å; N224-R285 PolarHBondContact ND2-O 3.07Å; N224-R285 PolarHBondContact OD1-O 2.69Å; N224-R285 VanDerWaalsContact OD1-O 3.14Å; S228-R285 VanDerWaalsContact OG-CB 3.22Å; S228-R285 WeakPolarHBondContact OG-CB 3.43Å; S228-R285 PolarHBondContact OG-O 3.37Å; E231-R285 IonicContact OE2-CZ 3.28Å; E231-R285 IonicContact OE2-NH1 2.76Å; E231-R285 PolarHBondContact OE2-NH1 2.81Å; E231-R285 IonicContact OE2-NH2 2.85Å; E231-R285 PolarHBondContact OE2-NH2 2.77Å; E281-R285 VanDerWaalsContact O-CD 3.27Å; E281-R285 WeakPolarHBondContact O-CD 3.27Å; E281-R285 WeakPolarHBondContact O-CG 3.43Å; E281-R285 IonicContact OE1-CZ 2.61Å; E281-R285 IonicContact OE1-NE 3.44Å; E281-R285 PolarHBondContact OE1-NE 3.43Å; E281-R285 IonicContact OE1-NH2 3.58Å; F282-R285 PolarHBondContact O-N 2.77Å; A283-R285 PolarHBondContact O-N 3.14Å; A283-R285 VanDerWaalsContact O-N 3.08Å; R285-D287 PolarHBondContact O-N 3.37Å
286I98.4Very high96.6Very high3 Ų344.4 Ų44.42%0.01522%0.216CC..SBendtrans-66.4121.6170.7-58.7173.4000108.2N224 I225 F282 A283 G288 F289 A370 L373 I394N224-I286 WeakPolarHBondContact OD1-CA 3.36Å; I225-I286 HydrophobicContact CD1-CG2 4.26Å; I225-I286 HydrophobicContact CG1-CG1 4.4Å; I225-I286 HydrophobicContact CG1-CG2 4.15Å; F282-I286 HydrophobicContact CD1-CD1 4.24Å; F282-I286 HydrophobicContact CE1-CD1 3.89Å; F282-I286 HydrophobicContact CE2-CD1 4.5Å; F282-I286 HydrophobicContact CE2-CG1 4.36Å; F282-I286 HydrophobicContact CZ-CD1 4.04Å; F282-I286 HydrophobicContact CZ-CG1 4.36Å; F282-I286 PolarHBondContact O-N 3.24Å; A283-I286 WeakPolarHBondContact O-CB 3.42Å; A283-I286 PolarHBondContact O-N 2.92Å; A283-I286 VanDerWaalsContact O-N 3.16Å; I286-G288 PolarHBondContact O-N 3.43Å; I286-F289 HydrophobicContact CB-CB 4.21Å; I286-F289 WeakPolarHBondContact O-CB 3.49Å; I286-F289 PolarHBondContact O-N 3.05Å; I286-A370 HydrophobicContact CD1-CB 3.87Å; I286-L373 HydrophobicContact CD1-CD2 4.23Å; I286-I394 HydrophobicContact CG2-CD1 4.41Å
287D97.5Very high96.7Very high67 Ų6746 Ų4636%0.35822%0.223SC..THydrogen-bonded Turntrans-56.3130.7176.1-69.5-27000110.4H220 L221 N224 R285H220-D287 IonicContact CE1-OD2 2.68Å; H220-D287 PolarHBondContact CE1-OD2 3.48Å; H220-D287 VanDerWaalsContact CE1-OD2 3.28Å; H220-D287 IonicContact ND1-OD2 2.8Å; L221-D287 HydrophobicContact CD1-CB 4.28Å; N224-D287 WeakPolarHBondContact CB-OD2 3.47Å; N224-D287 VanDerWaalsContact CG-CG 3.41Å; N224-D287 PolarHBondContact ND2-OD1 3.45Å; N224-D287 PolarHBondContact ND2-OD2 3.11Å; N224-D287 PolarHBondContact OD1-N 3.29Å; R285-D287 PolarHBondContact O-N 3.37Å
288G96.2Very high96.5Very high14 Ų1444.8 Ų44.814%0.14422%0.219CC..THydrogen-bonded Turntrans88.1-18.6-174.600000116.3I286 E291I286-G288 PolarHBondContact O-N 3.43Å; G288-E291 WeakPolarHBondContact O-CB 3.44Å; G288-E291 PolarHBondContact O-N 3.06Å
289F98.1Very high96.5Very high1 Ų141.5 Ų41.50%0.00421%0.208CC..G310 helixtrans-65.9-45.9179.3178.8-91.1000112.2A283 I286 E291 L292 Q297 L300 L301 M374A283-F289 HydrophobicContact CB-CD1 4.23Å; A283-F289 HydrophobicContact CB-CD2 4.34Å; A283-F289 HydrophobicContact CB-CE1 3.97Å; A283-F289 HydrophobicContact CB-CE2 4.08Å; A283-F289 HydrophobicContact CB-CG 4.42Å; A283-F289 HydrophobicContact CB-CZ 3.89Å; A283-F289 WeakPolarHBondContact O-CB 3.35Å; A283-F289 WeakPolarHBondContact O-CD1 3.09Å; A283-F289 WeakPolarHBondContact O-CG 3.42Å; I286-F289 HydrophobicContact CB-CB 4.21Å; I286-F289 WeakPolarHBondContact O-CB 3.49Å; I286-F289 PolarHBondContact O-N 3.05Å; F289-E291 PolarHBondContact O-N 2.89Å; F289-L292 WeakPolarHBondContact O-CB 3.47Å; F289-L292 PolarHBondContact O-N 3.43Å; F289-Q297 HydrophobicContact CD1-CG 4.31Å; F289-Q297 HydrophobicContact CE1-CB 3.97Å; F289-Q297 HydrophobicContact CE1-CG 3.74Å; F289-Q297 HydrophobicContact CE2-CG 4.48Å; F289-Q297 HydrophobicContact CZ-CB 3.72Å; F289-Q297 HydrophobicContact CZ-CG 3.84Å; F289-L300 HydrophobicContact CE2-CB 4.48Å; F289-L300 HydrophobicContact CE2-CD1 4.34Å; F289-L301 HydrophobicContact CZ-CD1 4.03Å; F289-L301 HydrophobicContact CZ-CG 4.04Å; F289-M374 HydrophobicContact CD2-SD 3.74Å; F289-M374 HydrophobicContact CE2-SD 4.41Å
290M97.4Very high96.5Very high105 Ų10541.5 Ų41.552%0.51721%0.208SC..G310 helixtrans-70.4-10179.9-69.9-59.7-54.100113.6K284K284-M290 HydrophobicContact CB-CG 4.4Å; K284-M290 HydrophobicContact CB-SD 3.94Å; K284-M290 HydrophobicContact CG-SD 3.78Å; K284-M290 VanDerWaalsContact O-CG 3.27Å; K284-M290 WeakPolarHBondContact O-CG 3.48Å
291E96.2Very high96.5Very high140 Ų14041.4 Ų41.465%0.65421%0.207SC*.G310 helixtrans-85.1-17.1175.2-60.9172.2-158.600112.5G288 F289 K386G288-E291 WeakPolarHBondContact O-CB 3.44Å; G288-E291 PolarHBondContact O-N 3.06Å; F289-E291 PolarHBondContact O-N 2.89Å; E291-K386 PolarHBondContact O-NZ 2.68Å
292L94.7Very high96.3Very high7 Ų742 Ų424%0.03721%0.208CC..SBendtrans-67.1151.1171.9-60.9-177.8000111F289 D296 Q297 L300 M374 E383 K386 V387F289-L292 WeakPolarHBondContact O-CB 3.47Å; F289-L292 PolarHBondContact O-N 3.43Å; L292-D296 HydrophobicContact CB-CB 4.49Å; L292-Q297 HydrophobicContact CB-CG 4.08Å; L292-Q297 PolarHBondContact O-NE2 3.11Å; L292-L300 HydrophobicContact CD1-CD1 3.53Å; L292-M374 HydrophobicContact CD1-CE 3.9Å; L292-E383 WeakPolarHBondContact CA-OE2 3.46Å; L292-K386 HydrophobicContact CD2-CB 4.32Å; L292-K386 HydrophobicContact CD2-CD 3.74Å; L292-K386 HydrophobicContact CD2-CG 3.82Å; L292-V387 HydrophobicContact CD1-CG2 4.02Å; L292-V387 HydrophobicContact CD2-CG2 4.1Å
293C93.7Very high96.1Very high35 Ų3543.7 Ų43.724%0.23622%0.223CC..  trans-58.5153.317174.90000111.9N295 D296 Q297 E383C293-N295 PolarHBondContact O-N 3.15Å; C293-D296 PolarHBondContact O-N 3.42Å; C293-D296 VanDerWaalsContact O-N 3.12Å; C293-D296 PolarHBondContact SG-OD1 3.07Å; C293-Q297 PolarHBondContact O-N 3.23Å; C293-Q297 VanDerWaalsContact O-N 3.13Å; C293-E383 PolarHBondContact N-OE2 3.09Å
294Q92.6Very high96Very high119 Ų11943.7 Ų43.756%0.55622%0.223SC*.Hα-helixtrans-61.3-31.9-175.4-174.8174.549.100113I298Q294-I298 HydrophobicContact CG-CD1 4.04Å; Q294-I298 WeakPolarHBondContact O-CD1 3.17Å; Q294-I298 VanDerWaalsContact O-CG1 3.27Å; Q294-I298 WeakPolarHBondContact O-CG1 3.39Å; Q294-I298 PolarHBondContact O-N 2.63Å; Q294-I298 VanDerWaalsContact O-N 3.14Å
295N94.1Very high96Very high56 Ų5640.6 Ų40.630%0.29921%0.209SC..Hα-helixtrans-57.7-52.3174177.584.7000110.9C293 Q297 I298 V299 W380 Q382C293-N295 PolarHBondContact O-N 3.15Å; N295-Q297 PolarHBondContact O-N 2.65Å; N295-I298 CarbonylContact O-C 3.6Å; N295-I298 WeakPolarHBondContact O-CA 3.32Å; N295-I298 WeakPolarHBondContact O-CB 3.43Å; N295-I298 PolarHBondContact O-N 3.23Å; N295-V299 WeakPolarHBondContact O-CG2 3.22Å; N295-V299 PolarHBondContact O-N 3.31Å; N295-W380 PolarHBondContact ND2-O 2.91Å; N295-Q382 HydrophobicContact CB-CG 4.5Å
296D95.7Very high96Very high0 Ų038.3 Ų38.30%020%0.201CC..Hα-helixtrans-70.6-36-173.8-69.110.6000111.5L292 C293 I298 V299 L300 L381 Q382 E383L292-D296 HydrophobicContact CB-CB 4.49Å; C293-D296 PolarHBondContact O-N 3.42Å; C293-D296 VanDerWaalsContact O-N 3.12Å; C293-D296 PolarHBondContact SG-OD1 3.07Å; D296-I298 VanDerWaalsContact C-N 3.26Å; D296-I298 PolarHBondContact O-N 2.99Å; D296-V299 PolarHBondContact O-N 2.91Å; D296-L300 WeakPolarHBondContact O-CB 3.39Å; D296-L300 WeakPolarHBondContact O-CG 3.38Å; D296-L300 PolarHBondContact O-N 3.35Å; D296-L381 HydrophobicContact CB-CD2 3.84Å; D296-L381 WeakPolarHBondContact OD1-CA 3.45Å; D296-Q382 PolarHBondContact OD1-N 2.98Å; D296-Q382 PolarHBondContact OD2-N 3.38Å; D296-Q382 VanDerWaalsContact OD2-N 3.14Å; D296-E383 WeakPolarHBondContact OD2-CA 3.06Å; D296-E383 PolarHBondContact OD2-N 3.03Å
297Q97.3Very high96Very high33 Ų3338.3 Ų38.315%0.15420%0.201CC..Hα-helixtrans-56.5-40.9169.1-65.6-178.329.300111.8F289 L292 C293 N295 L301F289-Q297 HydrophobicContact CD1-CG 4.31Å; F289-Q297 HydrophobicContact CE1-CB 3.97Å; F289-Q297 HydrophobicContact CE1-CG 3.74Å; F289-Q297 HydrophobicContact CE2-CG 4.48Å; F289-Q297 HydrophobicContact CZ-CB 3.72Å; F289-Q297 HydrophobicContact CZ-CG 3.84Å; L292-Q297 HydrophobicContact CB-CG 4.08Å; L292-Q297 PolarHBondContact O-NE2 3.11Å; C293-Q297 PolarHBondContact O-N 3.23Å; C293-Q297 VanDerWaalsContact O-N 3.13Å; N295-Q297 PolarHBondContact O-N 2.65Å; Q297-L301 VanDerWaalsContact O-CB 3.32Å; Q297-L301 WeakPolarHBondContact O-CB 3.47Å; Q297-L301 WeakPolarHBondContact O-CD1 3.25Å; Q297-L301 VanDerWaalsContact O-CG 3.25Å; Q297-L301 WeakPolarHBondContact O-CG 3.32Å; Q297-L301 PolarHBondContact O-N 3.49Å; Q297-L301 VanDerWaalsContact O-N 3.13Å
298I93.1Very high96.1Very high74 Ų7435.1 Ų35.138%0.37918%0.184SC..Hα-helixtrans-70.7-45.1177.4-68.3165.2000111Q294 N295 D296 L301 K302Q294-I298 HydrophobicContact CG-CD1 4.04Å; Q294-I298 WeakPolarHBondContact O-CD1 3.17Å; Q294-I298 VanDerWaalsContact O-CG1 3.27Å; Q294-I298 WeakPolarHBondContact O-CG1 3.39Å; Q294-I298 PolarHBondContact O-N 2.63Å; Q294-I298 VanDerWaalsContact O-N 3.14Å; N295-I298 CarbonylContact O-C 3.6Å; N295-I298 WeakPolarHBondContact O-CA 3.32Å; N295-I298 WeakPolarHBondContact O-CB 3.43Å; N295-I298 PolarHBondContact O-N 3.23Å; D296-I298 VanDerWaalsContact C-N 3.26Å; D296-I298 PolarHBondContact O-N 2.99Å; I298-L301 PolarHBondContact O-N 3.46Å; I298-K302 HydrophobicContact CG2-CD 4.08Å; I298-K302 HydrophobicContact CG2-CG 4.2Å; I298-K302 WeakPolarHBondContact O-CB 3.43Å; I298-K302 WeakPolarHBondContact O-CG 3.28Å; I298-K302 PolarHBondContact O-N 3.33Å
299V95.8Very high96.2Very high23 Ų2335.6 Ų35.614%0.13918%0.184CC..Hα-helixtrans-59.8-48.6178.8168.50000111.2N295 D296 K302 A303 R378 S379 W380 L381N295-V299 WeakPolarHBondContact O-CG2 3.22Å; N295-V299 PolarHBondContact O-N 3.31Å; D296-V299 PolarHBondContact O-N 2.91Å; V299-K302 PolarHBondContact O-N 3.35Å; V299-A303 WeakPolarHBondContact O-CB 3.45Å; V299-A303 PolarHBondContact O-N 2.92Å; V299-R378 HydrophobicContact CG1-CB 3.81Å; V299-S379 VanDerWaalsContact CG1-O 3.24Å; V299-S379 WeakPolarHBondContact CG1-O 3.48Å; V299-W380 HydrophobicContact CG2-CB 4.24Å; V299-L381 HydrophobicContact CB-CD2 4Å; V299-L381 HydrophobicContact CG1-CD2 3.64Å; V299-L381 HydrophobicContact CG1-CG 4.07Å
300L97.7Very high96.2Very high0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-63.2-43.4178.6-67170000111.6F289 L292 D296 G304 M374 S375 R378 L381 V387F289-L300 HydrophobicContact CE2-CB 4.48Å; F289-L300 HydrophobicContact CE2-CD1 4.34Å; L292-L300 HydrophobicContact CD1-CD1 3.53Å; D296-L300 WeakPolarHBondContact O-CB 3.39Å; D296-L300 WeakPolarHBondContact O-CG 3.38Å; D296-L300 PolarHBondContact O-N 3.35Å; L300-G304 WeakPolarHBondContact O-CA 3.37Å; L300-G304 PolarHBondContact O-N 3.46Å; L300-M374 HydrophobicContact CD1-CE 3.96Å; L300-M374 HydrophobicContact CD1-SD 4.19Å; L300-S375 VanDerWaalsContact CD2-O 3.3Å; L300-S375 WeakPolarHBondContact CD2-O 3.38Å; L300-R378 HydrophobicContact CD2-CG 4.27Å; L300-L381 HydrophobicContact CD2-CD2 4.18Å; L300-L381 HydrophobicContact CG-CD2 4.08Å; L300-V387 HydrophobicContact CD1-CG1 4.22Å; L300-V387 HydrophobicContact CD1-CG2 4.24Å; L300-V387 HydrophobicContact CD2-CG1 3.99Å
301L97.4Very high96.2Very high24 Ų2431.5 Ų31.513%0.12616%0.163CC..Hα-helixtrans-67.8-42.9176.7-75.4170.7000112.5V280 A283 F289 Q297 I298 A303 S305 L373V280-L301 HydrophobicContact CG1-CD1 4.37Å; V280-L301 HydrophobicContact CG2-CD1 4.38Å; V280-L301 HydrophobicContact CG2-CD2 4.05Å; A283-L301 HydrophobicContact CB-CD2 3.78Å; F289-L301 HydrophobicContact CZ-CD1 4.03Å; F289-L301 HydrophobicContact CZ-CG 4.04Å; Q297-L301 VanDerWaalsContact O-CB 3.32Å; Q297-L301 WeakPolarHBondContact O-CB 3.47Å; Q297-L301 WeakPolarHBondContact O-CD1 3.25Å; Q297-L301 VanDerWaalsContact O-CG 3.25Å; Q297-L301 WeakPolarHBondContact O-CG 3.32Å; Q297-L301 PolarHBondContact O-N 3.49Å; Q297-L301 VanDerWaalsContact O-N 3.13Å; I298-L301 PolarHBondContact O-N 3.46Å; L301-A303 PolarHBondContact O-N 3.06Å; L301-S305 WeakPolarHBondContact O-CB 3.47Å; L301-S305 PolarHBondContact O-N 3.37Å; L301-S305 VanDerWaalsContact O-N 3.12Å; L301-S305 PolarHBondContact O-OG 2.92Å; L301-L373 HydrophobicContact CD2-CD1 4.27Å
302K93.5Very high96.3Very high62 Ų6226.1 Ų26.127%0.2714%0.137SC..Hα-helixtrans-59.5-47177-82.5-168.9174-141.30111.7I298 V299 E454 L455 D459I298-K302 HydrophobicContact CG2-CD 4.08Å; I298-K302 HydrophobicContact CG2-CG 4.2Å; I298-K302 WeakPolarHBondContact O-CB 3.43Å; I298-K302 WeakPolarHBondContact O-CG 3.28Å; I298-K302 PolarHBondContact O-N 3.33Å; V299-K302 PolarHBondContact O-N 3.35Å; K302-E454 WeakPolarHBondContact CE-O 3.46Å; K302-E454 PolarHBondContact NZ-O 3.14Å; K302-L455 HydrophobicContact CB-CD2 4.45Å; K302-L455 HydrophobicContact CG-CD2 3.78Å; K302-D459 IonicContact NZ-OD2 2.68Å; K302-D459 PolarHBondContact NZ-OD2 3.38Å
303A93.8Very high96.3Very high36 Ų3627.2 Ų27.230%0.29814%0.142SC..Hα-helixtrans-82.7-35.9-175.100000113.4V299 L301 E307 R378V299-A303 WeakPolarHBondContact O-CB 3.45Å; V299-A303 PolarHBondContact O-N 2.92Å; L301-A303 PolarHBondContact O-N 3.06Å; A303-E307 VanDerWaalsContact O-OE1 3.1Å; A303-R378 HydrophobicContact CB-CG 4.07Å; A303-R378 PolarHBondContact O-NH1 3.47Å
304G97.3Very high96.4Very high0 Ų026.2 Ų26.20%014%0.135CC..Hα-helixtrans-97.1-17.5-171.700000116.5L300 L306 E307 V308L300-G304 WeakPolarHBondContact O-CA 3.37Å; L300-G304 PolarHBondContact O-N 3.46Å; G304-L306 PolarHBondContact O-N 3.25Å; G304-E307 WeakPolarHBondContact O-CB 3.27Å; G304-E307 PolarHBondContact O-N 2.8Å; G304-V308 WeakPolarHBondContact O-CG2 3.45Å; G304-V308 PolarHBondContact O-N 2.68Å
305S97.9Very high96.4Very high2 Ų222.2 Ų22.21%0.01412%0.115CC..Hα-helixtrans-61.8-40.8-170.2-67.40000113.7L301 V308 V309L301-S305 WeakPolarHBondContact O-CB 3.47Å; L301-S305 PolarHBondContact O-N 3.37Å; L301-S305 VanDerWaalsContact O-N 3.12Å; L301-S305 PolarHBondContact O-OG 2.92Å; S305-V308 PolarHBondContact O-N 2.88Å; S305-V309 WeakPolarHBondContact O-CG2 3.35Å; S305-V309 PolarHBondContact O-N 2.82Å
306L98.2Very high96.4Very high4 Ų420.4 Ų20.42%0.02111%0.108CC..Hα-helixtrans-69.9-35178.9-173.660.3000112.1I272 G304 V308 V309 F310 C426 H429 F456I272-L306 HydrophobicContact CG2-CD1 4.15Å; G304-L306 PolarHBondContact O-N 3.25Å; L306-V308 VanDerWaalsContact C-N 3.34Å; L306-V308 PolarHBondContact O-N 3.2Å; L306-V309 PolarHBondContact O-N 3.15Å; L306-F310 HydrophobicContact CD1-CE2 4.05Å; L306-F310 HydrophobicContact CD1-CZ 4.03Å; L306-F310 HydrophobicContact CD2-CE2 3.98Å; L306-F310 HydrophobicContact CD2-CZ 4.31Å; L306-F310 HydrophobicContact CG-CD2 4.13Å; L306-F310 HydrophobicContact CG-CE2 3.62Å; L306-F310 HydrophobicContact CG-CZ 4.07Å; L306-F310 WeakPolarHBondContact O-CD2 3.23Å; L306-F310 PolarHBondContact O-N 3.43Å; L306-C426 HydrophobicContact CD2-CB 4.31Å; L306-H429 HydrophobicContact CD2-CB 3.95Å; L306-F456 HydrophobicContact CB-CE1 3.97Å; L306-F456 HydrophobicContact CB-CZ 3.96Å; L306-F456 HydrophobicContact CD1-CZ 4.35Å; L306-F456 HydrophobicContact CD2-CE1 3.85Å; L306-F456 HydrophobicContact CD2-CZ 4.1Å; L306-F456 HydrophobicContact CG-CE1 4.44Å; L306-F456 HydrophobicContact CG-CZ 4.36Å
307E98.5Very high96.4Very high3 Ų321.1 Ų21.11%0.01411%0.111CC..Hα-helixtrans-62-44174.7-59.9171.4-147.300110.5A303 G304 V309 F310 V311 V372 R378 L422 R423 C426A303-E307 VanDerWaalsContact O-OE1 3.1Å; G304-E307 WeakPolarHBondContact O-CB 3.27Å; G304-E307 PolarHBondContact O-N 2.8Å; E307-V309 PolarHBondContact O-N 2.96Å; E307-F310 PolarHBondContact O-N 2.91Å; E307-V311 WeakPolarHBondContact O-CG2 3.38Å; E307-V311 PolarHBondContact O-N 3.3Å; E307-V372 HydrophobicContact CB-CG1 3.49Å; E307-V372 VanDerWaalsContact CB-CG1 3.49Å; E307-R378 IonicContact OE1-CZ 2.85Å; E307-R378 VanDerWaalsContact OE1-CZ 3.25Å; E307-R378 IonicContact OE1-NH1 3.82Å; E307-R378 PolarHBondContact OE1-NH1 2.72Å; E307-R378 IonicContact OE1-NH2 3.92Å; E307-R378 PolarHBondContact OE1-NH2 2.93Å; E307-R378 IonicContact OE2-CZ 3.14Å; E307-R378 IonicContact OE2-NH1 3.17Å; E307-R378 IonicContact OE2-NH2 3.68Å; E307-R378 PolarHBondContact OE2-NH2 3.34Å; E307-L422 HydrophobicContact CB-CB 4.17Å; E307-L422 HydrophobicContact CB-CD1 4.49Å; E307-L422 HydrophobicContact CB-CD2 4.43Å; E307-L422 HydrophobicContact CG-CB 4.1Å; E307-R423 WeakPolarHBondContact OE1-CD 3.4Å; E307-R423 IonicContact OE1-NE 3.33Å; E307-R423 PolarHBondContact OE1-NE 3.04Å; E307-R423 VanDerWaalsContact OE1-NE 3.14Å; E307-R423 IonicContact OE2-NE 3.85Å; E307-R423 PolarHBondContact OE2-NE 2.82Å; E307-C426 WeakPolarHBondContact CG-SG 3.41Å
308V98.7Very high96.2Very high0 Ų020.4 Ų20.40%011%0.108CC..Hα-helixtrans-66.1-35.4174.9179.20000112.1V279 G304 S305 L306 V311 R312 S369 V372 L373V279-V308 HydrophobicContact CB-CG1 4.42Å; V279-V308 HydrophobicContact CG1-CB 3.85Å; V279-V308 HydrophobicContact CG1-CG1 3.83Å; V279-V308 HydrophobicContact CG1-CG2 4.3Å; V279-V308 HydrophobicContact CG2-CB 4.12Å; V279-V308 HydrophobicContact CG2-CG1 3.72Å; G304-V308 WeakPolarHBondContact O-CG2 3.45Å; G304-V308 PolarHBondContact O-N 2.68Å; S305-V308 PolarHBondContact O-N 2.88Å; L306-V308 VanDerWaalsContact C-N 3.34Å; L306-V308 PolarHBondContact O-N 3.2Å; V308-V311 PolarHBondContact O-N 3.05Å; V308-R312 HydrophobicContact CG1-CG 4.22Å; V308-R312 WeakPolarHBondContact O-CB 3.35Å; V308-R312 WeakPolarHBondContact O-CG 3.5Å; V308-R312 PolarHBondContact O-N 2.96Å; V308-S369 WeakPolarHBondContact CG2-O 3.35Å; V308-V372 HydrophobicContact CG2-CG1 4.3Å; V308-L373 HydrophobicContact CG2-CB 3.94Å
309V98.3Very high96.1Very high24 Ų2419.1 Ų19.115%0.14511%0.106CC..Hα-helixtrans-61.4-46.1172.5168.90000110.7A275 I276 V279 S305 L306 E307 V311 R312 M313A275-V309 HydrophobicContact CB-CG1 4.05Å; A275-V309 HydrophobicContact CB-CG2 3.83Å; I276-V309 HydrophobicContact CG1-CG2 3.89Å; V279-V309 HydrophobicContact CG2-CG2 3.95Å; S305-V309 WeakPolarHBondContact O-CG2 3.35Å; S305-V309 PolarHBondContact O-N 2.82Å; L306-V309 PolarHBondContact O-N 3.15Å; E307-V309 PolarHBondContact O-N 2.96Å; V309-V311 PolarHBondContact O-N 3.5Å; V309-R312 PolarHBondContact O-N 2.89Å; V309-M313 WeakPolarHBondContact O-CB 3.48Å; V309-M313 PolarHBondContact O-N 2.95Å
310F98.4Very high95.9Very high19 Ų1926.3 Ų26.38%0.08314%0.138CC..Hα-helixtrans-64.7-36.9176.1-68.8-45.3000113.1L306 E307 M313 V348 F351 L422 L425L306-F310 HydrophobicContact CD1-CE2 4.05Å; L306-F310 HydrophobicContact CD1-CZ 4.03Å; L306-F310 HydrophobicContact CD2-CE2 3.98Å; L306-F310 HydrophobicContact CD2-CZ 4.31Å; L306-F310 HydrophobicContact CG-CD2 4.13Å; L306-F310 HydrophobicContact CG-CE2 3.62Å; L306-F310 HydrophobicContact CG-CZ 4.07Å; L306-F310 WeakPolarHBondContact O-CD2 3.23Å; L306-F310 PolarHBondContact O-N 3.43Å; E307-F310 PolarHBondContact O-N 2.91Å; F310-M313 WeakPolarHBondContact O-CB 3.48Å; F310-V348 HydrophobicContact CD1-CG1 4.17Å; F310-V348 HydrophobicContact CD1-CG2 4.36Å; F310-V348 HydrophobicContact CE1-CB 4.47Å; F310-V348 HydrophobicContact CE1-CG1 3.95Å; F310-V348 HydrophobicContact CE1-CG2 3.62Å; F310-V348 HydrophobicContact CZ-CG2 3.93Å; F310-F351 HydrophobicContact CB-CD1 4.38Å; F310-F351 HydrophobicContact CB-CE1 4.19Å; F310-L422 HydrophobicContact CB-CD2 3.64Å; F310-L422 HydrophobicContact CD2-CD2 4.47Å; F310-L425 HydrophobicContact CD2-CB 4.09Å; F310-L425 HydrophobicContact CD2-CD1 4.24Å; F310-L425 HydrophobicContact CE2-CB 3.8Å; F310-L425 HydrophobicContact CG-CD1 4.45Å
311V98.4Very high95.5Very high0 Ų031.6 Ų31.60%017%0.167CC..Hα-helixtrans-61.3-52.5171.41710000110.6E307 V308 V309 M313 C314 L355 I365 F368 V372 L422E307-V311 WeakPolarHBondContact O-CG2 3.38Å; E307-V311 PolarHBondContact O-N 3.3Å; V308-V311 PolarHBondContact O-N 3.05Å; V309-V311 PolarHBondContact O-N 3.5Å; V311-M313 PolarHBondContact O-N 3.16Å; V311-C314 PolarHBondContact O-N 2.95Å; V311-C314 PolarHBondContact O-SG 3.22Å; V311-L355 HydrophobicContact CG1-CD2 4.36Å; V311-I365 HydrophobicContact CG1-CG2 4.32Å; V311-F368 HydrophobicContact CG1-CD1 3.81Å; V311-F368 HydrophobicContact CG1-CE1 4.36Å; V311-F368 HydrophobicContact CG2-CD1 3.96Å; V311-F368 HydrophobicContact CG2-CE1 3.72Å; V311-V372 HydrophobicContact CG2-CG2 4.45Å; V311-L422 HydrophobicContact CG2-CD1 3.57Å; V311-L422 HydrophobicContact CG2-CD2 4.14Å; V311-L422 HydrophobicContact CG2-CG 4.5Å
312R96.9Very high95.4Very high27 Ų2732.9 Ų32.910%0.10217%0.173CC..Hα-helixtrans-67.5-22.3-177.4-71.5-179.2170.9-149.2-7.5113.5H229 T232 F282 V308 V309 C314 R315H229-R312 PolarHBondContact CE1-NE 3.17Å; H229-R312 PolarHBondContact CE1-NH2 2.95Å; H229-R312 PolarHBondContact ND1-NH2 3.33Å; H229-R312 WeakPolarHBondContact NE2-CG 3.48Å; T232-R312 PolarHBondContact O-NH1 2.98Å; T232-R312 PolarHBondContact OG1-NH1 3.14Å; T232-R312 PolarHBondContact OG1-NH2 3.38Å; F282-R312 VanDerWaalsContact CD1-NH2 3.31Å; V308-R312 HydrophobicContact CG1-CG 4.22Å; V308-R312 WeakPolarHBondContact O-CB 3.35Å; V308-R312 WeakPolarHBondContact O-CG 3.5Å; V308-R312 PolarHBondContact O-N 2.96Å; V309-R312 PolarHBondContact O-N 2.89Å; R312-C314 PolarHBondContact O-N 3.38Å; R312-R315 WeakPolarHBondContact O-CB 3.28Å; R312-R315 PolarHBondContact O-N 3.07Å; R312-R315 VanDerWaalsContact O-N 3.14Å
313M95.3Very high95.5Very high30 Ų3030.8 Ų30.815%0.14817%0.166CC..Hα-helixtrans-54.9-30.7174.5-169-175.27100112.4V309 F310 V311 R315 A316 F317 V324 V348V309-M313 WeakPolarHBondContact O-CB 3.48Å; V309-M313 PolarHBondContact O-N 2.95Å; F310-M313 WeakPolarHBondContact O-CB 3.48Å; V311-M313 PolarHBondContact O-N 3.16Å; M313-R315 PolarHBondContact O-N 2.86Å; M313-R315 VanDerWaalsContact O-N 3.14Å; M313-A316 CarbonylContact O-C 3.4Å; M313-A316 WeakPolarHBondContact O-CA 3.45Å; M313-A316 PolarHBondContact O-N 3.46Å; M313-F317 HydrophobicContact CE-CD2 4.31Å; M313-F317 PolarHBondContact O-N 2.87Å; M313-V324 HydrophobicContact CG-CG2 3.63Å; M313-V324 HydrophobicContact SD-CG2 4.07Å; M313-V348 HydrophobicContact CE-CG1 3.71Å; M313-V348 WeakPolarHBondContact CE-O 3.46Å; M313-V348 HydrophobicContact SD-CG1 3.68Å
314C94.7Very high95.6Very high14 Ų1429.7 Ų29.710%0.09516%0.155CC..G310 helixtrans-61.9-23179.777.40000113.8V311 R312 A316 L355 C356V311-C314 PolarHBondContact O-N 2.95Å; V311-C314 PolarHBondContact O-SG 3.22Å; R312-C314 PolarHBondContact O-N 3.38Å; C314-A316 PolarHBondContact O-N 3.15Å; C314-L355 HydrophobicContact CB-CB 4.2Å; C314-L355 HydrophobicContact CB-CD2 3.94Å; C314-L355 HydrophobicContact CB-CG 4.1Å; C314-C356 PolarHBondContact O-SG 3.25Å; C314-C356 VanDerWaalsContact O-SG 3.37Å
315R94.2Very high95.4Very high36 Ų3631.4 Ų31.414%0.13616%0.162CC..G310 helixtrans-67.8-28.3173.5-60.2175.273.4-104.36.7112.2H229 Y235 L240 R312 M313 E362 I365H229-R315 WeakPolarHBondContact NE2-CD 3.41Å; Y235-R315 PolarHBondContact O-NH1 3.28Å; Y235-R315 PolarHBondContact O-NH2 3.1Å; L240-R315 HydrophobicContact CD1-CB 4.48Å; L240-R315 WeakPolarHBondContact CD1-O 3.29Å; R312-R315 WeakPolarHBondContact O-CB 3.28Å; R312-R315 PolarHBondContact O-N 3.07Å; R312-R315 VanDerWaalsContact O-N 3.14Å; M313-R315 PolarHBondContact O-N 2.86Å; M313-R315 VanDerWaalsContact O-N 3.14Å; R315-E362 IonicContact CZ-OE2 2.65Å; R315-E362 IonicContact NE-OE1 3.47Å; R315-E362 IonicContact NE-OE2 2.81Å; R315-E362 PolarHBondContact NE-OE2 2.65Å; R315-E362 IonicContact NH2-OE2 3.38Å; R315-E362 PolarHBondContact NH2-OE2 3.24Å; R315-I365 HydrophobicContact CG-CD1 4.02Å; R315-I365 HydrophobicContact CG-CG2 4.47Å
316A93.5Very high95.2Very high18 Ų1832.3 Ų32.315%0.14917%0.166CC..G310 helixtrans-11217.3-174.100000112L240 M313 C314 V324 Y325L240-A316 HydrophobicContact CD1-CB 4.34Å; L240-A316 HydrophobicContact CD2-CB 4.18Å; M313-A316 CarbonylContact O-C 3.4Å; M313-A316 WeakPolarHBondContact O-CA 3.45Å; M313-A316 PolarHBondContact O-N 3.46Å; C314-A316 PolarHBondContact O-N 3.15Å; A316-V324 WeakPolarHBondContact O-CA 3.49Å; A316-Y325 PolarHBondContact O-N 2.82Å
317F94.9Very high94.8Very high14 Ų1435.7 Ų35.76%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-113.4126.5-178.4-168.9-85.9000110M313 T323 V324 F349 K353M313-F317 HydrophobicContact CE-CD2 4.31Å; M313-F317 PolarHBondContact O-N 2.87Å; F317-T323 CarbonylContact C-O 3.28Å; F317-T323 WeakPolarHBondContact CA-O 3.47Å; F317-V324 HydrophobicContact CD2-CB 3.87Å; F317-V324 HydrophobicContact CD2-CG2 4.16Å; F317-V324 HydrophobicContact CE2-CB 4.4Å; F317-F349 HydrophobicContact CE2-CB 4.24Å; F317-F349 AromaticContact CE2-CD1 3.64Å; F317-F349 HydrophobicContact CE2-CD1 3.64Å; F317-F349 HydrophobicContact CE2-CE1 4.19Å; F317-F349 HydrophobicContact CE2-CG 4.02Å; F317-F349 HydrophobicContact CZ-CB 4.36Å; F317-F349 AromaticContact CZ-CD1 3.97Å; F317-F349 HydrophobicContact CZ-CD1 3.97Å; F317-F349 HydrophobicContact CZ-CG 4.46Å; F317-F349 WeakPolarHBondContact CZ-O 3.45Å; F317-K353 HydrophobicContact CE1-CB 3.87Å; F317-K353 HydrophobicContact CZ-CB 4.23Å
318D92.8Very high94.3Very high18 Ų1836.9 Ų36.910%0.09620%0.197CC..EExtended strand (participates in β ladder)trans-94.6108.2171.4179.3-0.9000109.4T244 Q320 N321 N322 T323 Y330T244-D318 HydrophobicContact CG2-CB 4.5Å; D318-Q320 VanDerWaalsContact C-N 3.28Å; D318-Q320 PolarHBondContact O-N 3.43Å; D318-Q320 WeakPolarHBondContact OD1-CB 3.43Å; D318-Q320 PolarHBondContact OD1-N 2.85Å; D318-N321 PolarHBondContact OD1-N 2.73Å; D318-N321 PolarHBondContact OD2-ND2 3.42Å; D318-N322 VanDerWaalsContact O-CA 3.29Å; D318-N322 WeakPolarHBondContact O-CA 3.43Å; D318-N322 PolarHBondContact O-N 2.94Å; D318-T323 PolarHBondContact N-O 3.06Å; D318-T323 PolarHBondContact O-N 2.68Å; D318-T323 VanDerWaalsContact O-N 3.15Å; D318-Y330 HydrophobicContact CB-CD1 4.11Å; D318-Y330 HydrophobicContact CB-CE1 4.04Å
319S92.2Very high94Very high47 Ų4739.4 Ų39.433%0.32921%0.208SC..THydrogen-bonded Turntrans-73.5-14.918059.80000114.5
320Q90.6Very high93.8Very high174 Ų17438.8 Ų38.881%0.81320%0.204SC*.THydrogen-bonded Turntrans-79.8-51.8177.6-54.1-175.523.900110.1D318D318-Q320 VanDerWaalsContact C-N 3.28Å; D318-Q320 PolarHBondContact O-N 3.43Å; D318-Q320 WeakPolarHBondContact OD1-CB 3.43Å; D318-Q320 PolarHBondContact OD1-N 2.85Å
321N90.8Very high93.7Very high112 Ų11237.9 Ų37.960%0.59920%0.2SC*.THydrogen-bonded Turntrans-87.4-6.7-179.7-65.7-62.6000113.6D318 T323D318-N321 PolarHBondContact OD1-N 2.73Å; D318-N321 PolarHBondContact OD2-ND2 3.42Å; N321-T323 HydrophobicContact CB-CG2 4.14Å
322N94.9Very high93.6Very high50 Ų5038.8 Ų38.827%0.26721%0.208SC..THydrogen-bonded Turntrans55.849-175.4-168.171.1000111.9D318 F349D318-N322 VanDerWaalsContact O-CA 3.29Å; D318-N322 WeakPolarHBondContact O-CA 3.43Å; D318-N322 PolarHBondContact O-N 2.94Å; N322-F349 WeakPolarHBondContact O-CD1 3.35Å; N322-F349 VanDerWaalsContact O-CE1 3.29Å; N322-F349 WeakPolarHBondContact O-CE1 3.47Å
323T95.5Very high93.6Very high18 Ų1839.5 Ų39.511%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-125.2155.2-178.356.80000111.5F317 D318 N321 Y330 A331F317-T323 CarbonylContact C-O 3.28Å; F317-T323 WeakPolarHBondContact CA-O 3.47Å; D318-T323 PolarHBondContact N-O 3.06Å; D318-T323 PolarHBondContact O-N 2.68Å; D318-T323 VanDerWaalsContact O-N 3.15Å; N321-T323 HydrophobicContact CB-CG2 4.14Å; T323-Y330 WeakPolarHBondContact OG1-CD1 3.33Å; T323-A331 CarbonylContact C-O 3.6Å; T323-A331 WeakPolarHBondContact CA-O 3.21Å; T323-A331 WeakPolarHBondContact CB-O 3.29Å
324V95.4Very high93.7Very high13 Ų1342.2 Ų42.28%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-126.3140.2175.4690000109.9M313 A316 F317 F326 A331 F336 F349M313-V324 HydrophobicContact CG-CG2 3.63Å; M313-V324 HydrophobicContact SD-CG2 4.07Å; A316-V324 WeakPolarHBondContact O-CA 3.49Å; F317-V324 HydrophobicContact CD2-CB 3.87Å; F317-V324 HydrophobicContact CD2-CG2 4.16Å; F317-V324 HydrophobicContact CE2-CB 4.4Å; V324-F326 PolarHBondContact O-N 3.48Å; V324-A331 PolarHBondContact N-O 2.8Å; V324-A331 PolarHBondContact O-N 2.82Å; V324-F336 HydrophobicContact CG1-CE2 4.19Å; V324-F336 HydrophobicContact CG1-CZ 4.23Å; V324-F349 HydrophobicContact CB-CZ 4.43Å; V324-F349 HydrophobicContact CG1-CE1 4.31Å; V324-F349 HydrophobicContact CG1-CE2 4.17Å; V324-F349 HydrophobicContact CG1-CZ 3.68Å
325Y93.9Very high93.8Very high37 Ų3741.6 Ų41.615%0.14523%0.228CC..EExtended strand (participates in β ladder)trans-64.4117.7175.6-174.5-91.7000110.7Y235 L240 M243 A316 G328 K329 Y330Y235-Y325 HydrophobicContact CD2-CE1 4.43Å; Y235-Y325 HydrophobicContact CE1-CE1 4.29Å; Y235-Y325 HydrophobicContact CE2-CD1 4Å; Y235-Y325 AromaticContact CE2-CE1 3.62Å; Y235-Y325 HydrophobicContact CE2-CE1 3.62Å; Y235-Y325 AromaticContact CZ-CE1 3.54Å; Y235-Y325 WeakPolarHBondContact OH-CE1 3.17Å; L240-Y325 HydrophobicContact CD2-CG 4.3Å; M243-Y325 HydrophobicContact CB-CD2 4.48Å; M243-Y325 HydrophobicContact CB-CE2 4.09Å; M243-Y325 HydrophobicContact CE-CD2 4.42Å; M243-Y325 HydrophobicContact CE-CE2 3.7Å; M243-Y325 HydrophobicContact CG-CE2 4.41Å; M243-Y325 HydrophobicContact SD-CE2 3.53Å; M243-Y325 VanDerWaalsContact SD-CE2 3.53Å; M243-Y325 PolarHBondContact SD-OH 2.64Å; A316-Y325 PolarHBondContact O-N 2.82Å; Y325-G328 VanDerWaalsContact CE2-C 3.46Å; Y325-G328 WeakPolarHBondContact CE2-O 3.43Å; Y325-G328 WeakPolarHBondContact OH-CA 3.33Å; Y325-K329 CarbonylContact C-O 3.51Å; Y325-K329 WeakPolarHBondContact CA-O 3.41Å; Y325-Y330 AromaticContact CD2-CD2 3.98Å; Y325-Y330 HydrophobicContact CD2-CD2 3.98Å; Y325-Y330 AromaticContact CD2-CE2 3.79Å; Y325-Y330 HydrophobicContact CD2-CE2 3.79Å; Y325-Y330 HydrophobicContact CG-CE2 4.47Å
326F93.4Very high94Very high20 Ų2040.6 Ų40.69%0.08822%0.224CC..EExtended strand (participates in β ladder)trans-146.3129.7-176.7-177.6-98.5000110F248 Y256 M264 L267 K271 V324 G328 K329 A331 V335 F336F248-F326 WeakPolarHBondContact CE2-O 3.45Å; Y256-F326 AromaticContact CE1-CE1 3.88Å; Y256-F326 HydrophobicContact CE1-CE1 3.88Å; M264-F326 HydrophobicContact CE-CE1 4.09Å; M264-F326 HydrophobicContact CE-CZ 4.16Å; L267-F326 HydrophobicContact CD2-CE1 4.12Å; L267-F326 HydrophobicContact CD2-CZ 4.03Å; L267-F326 HydrophobicContact CG-CZ 4.05Å; K271-F326 HydrophobicContact CB-CE2 4.2Å; K271-F326 HydrophobicContact CG-CD2 4.38Å; K271-F326 HydrophobicContact CG-CE2 3.77Å; K271-F326 HydrophobicContact CG-CZ 4.33Å; V324-F326 PolarHBondContact O-N 3.48Å; F326-G328 VanDerWaalsContact C-N 3.25Å; F326-G328 PolarHBondContact O-N 3.37Å; F326-G328 VanDerWaalsContact O-N 3.14Å; F326-K329 CarbonylContact C-O 3.6Å; F326-K329 PolarHBondContact N-O 2.76Å; F326-K329 PolarHBondContact O-N 2.79Å; F326-K329 VanDerWaalsContact O-N 3.16Å; F326-A331 HydrophobicContact CB-CB 3.92Å; F326-V335 HydrophobicContact CD1-CG1 4.38Å; F326-F336 HydrophobicContact CB-CZ 3.94Å; F326-F336 HydrophobicContact CD1-CE1 4.05Å; F326-F336 AromaticContact CD1-CZ 3.92Å; F326-F336 HydrophobicContact CD1-CZ 3.92Å; F326-F336 AromaticContact CD2-CE1 3.73Å; F326-F336 HydrophobicContact CD2-CE1 3.73Å; F326-F336 AromaticContact CD2-CZ 3.78Å; F326-F336 HydrophobicContact CD2-CZ 3.78Å; F326-F336 HydrophobicContact CE1-CE1 4.01Å; F326-F336 HydrophobicContact CE1-CZ 4.35Å; F326-F336 AromaticContact CE2-CE1 3.7Å; F326-F336 HydrophobicContact CE2-CE1 3.7Å; F326-F336 HydrophobicContact CE2-CZ 4.23Å; F326-F336 AromaticContact CG-CE1 3.91Å; F326-F336 HydrophobicContact CG-CE1 3.91Å; F326-F336 AromaticContact CG-CZ 3.6Å; F326-F336 HydrophobicContact CG-CZ 3.6Å; F326-F336 AromaticContact CZ-CE1 3.83Å; F326-F336 HydrophobicContact CZ-CE1 3.83Å; F326-F336 HydrophobicContact CZ-CZ 4.49Å
327D88.9Confident94.1Very high75 Ų7544.9 Ų44.940%0.40124%0.239SC..THydrogen-bonded Turntrans47.241.1179.2-152.247.8000115.7Y256 K271Y256-D327 PolarHBondContact OH-OD2 3.37Å; K271-D327 WeakPolarHBondContact CE-OD1 3.27Å; K271-D327 IonicContact NZ-OD1 3.07Å; K271-D327 PolarHBondContact NZ-OD1 2.84Å
328G88.4Confident94.2Very high29 Ų2945 Ų4530%0.29924%0.242SC..THydrogen-bonded Turntrans99.8-14.6175.300000115.3Y325 F326Y325-G328 VanDerWaalsContact CE2-C 3.46Å; Y325-G328 WeakPolarHBondContact CE2-O 3.43Å; Y325-G328 WeakPolarHBondContact OH-CA 3.33Å; F326-G328 VanDerWaalsContact C-N 3.25Å; F326-G328 PolarHBondContact O-N 3.37Å; F326-G328 VanDerWaalsContact O-N 3.14Å
329K92.9Very high94.4Very high53 Ų5344.4 Ų44.423%0.2324%0.239CC..EExtended strand (participates in β ladder)trans-137.2163.2-172.2-76.4-179.3170.8-177.30112.2Q246 F248 E252 Y325 F326 A331Q246-K329 HydrophobicContact CB-CG 4.3Å; Q246-K329 CarbonylContact O-C 3.46Å; Q246-K329 WeakPolarHBondContact O-CA 3.38Å; Q246-K329 WeakPolarHBondContact O-CB 3.28Å; Q246-K329 WeakPolarHBondContact O-CG 3.25Å; F248-K329 HydrophobicContact CD2-CB 3.55Å; F248-K329 HydrophobicContact CD2-CD 4.45Å; F248-K329 HydrophobicContact CE2-CB 3.38Å; F248-K329 HydrophobicContact CG-CB 4.33Å; F248-K329 HydrophobicContact CG-CD 4.44Å; F248-K329 HydrophobicContact CZ-CB 4.02Å; E252-K329 IonicContact OE1-NZ 2.68Å; E252-K329 PolarHBondContact OE1-NZ 3.37Å; E252-K329 IonicContact OE2-NZ 3.71Å; E252-K329 PolarHBondContact OE2-NZ 3.4Å; Y325-K329 CarbonylContact C-O 3.51Å; Y325-K329 WeakPolarHBondContact CA-O 3.41Å; F326-K329 CarbonylContact C-O 3.6Å; F326-K329 PolarHBondContact N-O 2.76Å; F326-K329 PolarHBondContact O-N 2.79Å; F326-K329 VanDerWaalsContact O-N 3.16Å; K329-A331 PolarHBondContact O-N 2.83Å
330Y93.9Very high94.6Very high11 Ų1144 Ų444%0.04324%0.242CC..EExtended strand (participates in β ladder)trans-81.1111.2173.2-84.7-97.8000110.8M243 Q246 F248 D318 T323 Y325M243-Y330 HydrophobicContact CB-CE2 4.34Å; M243-Y330 WeakPolarHBondContact O-CD2 3.26Å; Q246-Y330 PolarHBondContact O-N 3.3Å; F248-Y330 PolarHBondContact N-O 3.48Å; D318-Y330 HydrophobicContact CB-CD1 4.11Å; D318-Y330 HydrophobicContact CB-CE1 4.04Å; T323-Y330 WeakPolarHBondContact OG1-CD1 3.33Å; Y325-Y330 AromaticContact CD2-CD2 3.98Å; Y325-Y330 HydrophobicContact CD2-CD2 3.98Å; Y325-Y330 AromaticContact CD2-CE2 3.79Å; Y325-Y330 HydrophobicContact CD2-CE2 3.79Å; Y325-Y330 HydrophobicContact CG-CE2 4.47Å
331A95.8Very high94.9Very high0 Ų035.9 Ų35.90%021%0.205CC..EExtended strand (participates in β ladder)trans-99130.4-176.100000112.1F248 T323 V324 F326 K329 V335 F336F248-A331 HydrophobicContact CD2-CB 3.85Å; F248-A331 HydrophobicContact CE2-CB 3.69Å; T323-A331 CarbonylContact C-O 3.6Å; T323-A331 WeakPolarHBondContact CA-O 3.21Å; T323-A331 WeakPolarHBondContact CB-O 3.29Å; V324-A331 PolarHBondContact N-O 2.8Å; V324-A331 PolarHBondContact O-N 2.82Å; F326-A331 HydrophobicContact CB-CB 3.92Å; K329-A331 PolarHBondContact O-N 2.83Å; A331-V335 HydrophobicContact CB-CB 3.97Å; A331-V335 HydrophobicContact CB-CG1 4.11Å; A331-V335 HydrophobicContact CB-CG2 3.83Å; A331-F336 HydrophobicContact CB-CE2 3.91Å; A331-F336 HydrophobicContact CB-CZ 4.26Å
332G96.4Very high95.1Very high18 Ų1834.8 Ų34.819%0.18620%0.198CC..  trans-75.6173164.300000112.2D334 V335 F336G332-D334 PolarHBondContact O-N 3.28Å; G332-V335 PolarHBondContact O-N 3.04Å; G332-F336 WeakPolarHBondContact O-CD2 3.37Å
333P97.1Very high95.3Very high43 Ų4335.6 Ų35.628%0.27920%0.203SC..G310 helixtrans-59.4-30.8178.625.5-34.6000112.6V335 F336 I345 F349P333-V335 PolarHBondContact O-N 2.74Å; P333-V335 VanDerWaalsContact O-N 3.16Å; P333-F336 WeakPolarHBondContact O-CB 3.08Å; P333-F336 PolarHBondContact O-N 2.96Å; P333-I345 HydrophobicContact CB-CG2 4.06Å; P333-F349 HydrophobicContact CB-CD2 4.49Å; P333-F349 HydrophobicContact CB-CE1 4.42Å; P333-F349 HydrophobicContact CB-CE2 4.4Å; P333-F349 HydrophobicContact CB-CZ 4.36Å
334D96.5Very high95.4Very high87 Ų8735.2 Ų35.247%0.46520%0.2SC..G310 helixtrans-59-24.6179.1-73.6-67000114.9V253 Q257 G332 F336 K337V253-D334 HydrophobicContact CG1-CB 3.96Å; Q257-D334 VanDerWaalsContact CG-O 3.22Å; Q257-D334 WeakPolarHBondContact CG-O 3.19Å; Q257-D334 PolarHBondContact NE2-O 3.48Å; G332-D334 PolarHBondContact O-N 3.28Å; D334-F336 PolarHBondContact O-N 3.49Å; D334-K337 WeakPolarHBondContact O-CB 3.36Å
335V97.7Very high95.5Very high1 Ų135.5 Ų35.51%0.00620%0.201CC..G310 helixtrans-66.2-26.9174.3174.30000111.4F248 V253 Y256 M264 F326 A331 G332 P333F248-V335 HydrophobicContact CB-CG2 4.47Å; F248-V335 HydrophobicContact CD1-CG2 4.4Å; F248-V335 HydrophobicContact CD2-CG2 4.28Å; F248-V335 HydrophobicContact CG-CG2 4.14Å; V253-V335 HydrophobicContact CG1-CG2 4.36Å; V253-V335 HydrophobicContact CG2-CG2 4.03Å; Y256-V335 HydrophobicContact CD1-CG1 3.66Å; Y256-V335 HydrophobicContact CD2-CG1 4.5Å; Y256-V335 HydrophobicContact CE1-CG1 4.23Å; Y256-V335 HydrophobicContact CG-CG1 3.8Å; M264-V335 WeakPolarHBondContact CE-O 3.33Å; F326-V335 HydrophobicContact CD1-CG1 4.38Å; A331-V335 HydrophobicContact CB-CB 3.97Å; A331-V335 HydrophobicContact CB-CG1 4.11Å; A331-V335 HydrophobicContact CB-CG2 3.83Å; G332-V335 PolarHBondContact O-N 3.04Å; P333-V335 PolarHBondContact O-N 2.74Å; P333-V335 VanDerWaalsContact O-N 3.16Å
336F97.8Very high95.7Very high14 Ų1437 Ų376%0.06122%0.217CC..G310 helixtrans-95-3.3-173.3-61-82.1000114.3M264 V324 F326 A331 G332 P333 D334 S338 L339 I345 F349M264-F336 HydrophobicContact CE-CD1 3.83Å; M264-F336 HydrophobicContact CE-CE1 4.31Å; V324-F336 HydrophobicContact CG1-CE2 4.19Å; V324-F336 HydrophobicContact CG1-CZ 4.23Å; F326-F336 HydrophobicContact CB-CZ 3.94Å; F326-F336 HydrophobicContact CD1-CE1 4.05Å; F326-F336 AromaticContact CD1-CZ 3.92Å; F326-F336 HydrophobicContact CD1-CZ 3.92Å; F326-F336 AromaticContact CD2-CE1 3.73Å; F326-F336 HydrophobicContact CD2-CE1 3.73Å; F326-F336 AromaticContact CD2-CZ 3.78Å; F326-F336 HydrophobicContact CD2-CZ 3.78Å; F326-F336 HydrophobicContact CE1-CE1 4.01Å; F326-F336 HydrophobicContact CE1-CZ 4.35Å; F326-F336 AromaticContact CE2-CE1 3.7Å; F326-F336 HydrophobicContact CE2-CE1 3.7Å; F326-F336 HydrophobicContact CE2-CZ 4.23Å; F326-F336 AromaticContact CG-CE1 3.91Å; F326-F336 HydrophobicContact CG-CE1 3.91Å; F326-F336 AromaticContact CG-CZ 3.6Å; F326-F336 HydrophobicContact CG-CZ 3.6Å; F326-F336 AromaticContact CZ-CE1 3.83Å; F326-F336 HydrophobicContact CZ-CE1 3.83Å; F326-F336 HydrophobicContact CZ-CZ 4.49Å; A331-F336 HydrophobicContact CB-CE2 3.91Å; A331-F336 HydrophobicContact CB-CZ 4.26Å; G332-F336 WeakPolarHBondContact O-CD2 3.37Å; P333-F336 WeakPolarHBondContact O-CB 3.08Å; P333-F336 PolarHBondContact O-N 2.96Å; D334-F336 PolarHBondContact O-N 3.49Å; F336-S338 VanDerWaalsContact C-N 3.26Å; F336-S338 PolarHBondContact O-N 3.33Å; F336-S338 VanDerWaalsContact O-N 3.14Å; F336-L339 HydrophobicContact CB-CD1 4.12Å; F336-L339 HydrophobicContact CD1-CD1 4.23Å; F336-L339 VanDerWaalsContact O-CB 3.28Å; F336-L339 WeakPolarHBondContact O-CB 3.37Å; F336-L339 WeakPolarHBondContact O-CG 3.47Å; F336-L339 PolarHBondContact O-N 3.48Å; F336-I345 HydrophobicContact CB-CD1 3.9Å; F336-I345 HydrophobicContact CB-CG1 3.91Å; F336-I345 HydrophobicContact CB-CG2 4Å; F336-I345 HydrophobicContact CD1-CD1 4.46Å; F336-I345 HydrophobicContact CD2-CG2 4.4Å; F336-I345 HydrophobicContact CG-CD1 4.23Å; F336-I345 HydrophobicContact CG-CG2 4.42Å; F336-F349 HydrophobicContact CD2-CE2 4Å; F336-F349 HydrophobicContact CD2-CZ 4.1Å; F336-F349 AromaticContact CE2-CE2 3.97Å; F336-F349 HydrophobicContact CE2-CE2 3.97Å; F336-F349 AromaticContact CE2-CZ 3.82Å; F336-F349 HydrophobicContact CE2-CZ 3.82Å
337K96.9Very high95.9Very high108 Ų10837.5 Ų37.547%0.4722%0.223SC..G310 helixtrans-54.4-35.1-173.2-164.7173.9-173.5170.60114.3Q257 D334 L339 G340Q257-K337 HydrophobicContact CG-CB 4.17Å; Q257-K337 HydrophobicContact CG-CD 4.37Å; D334-K337 WeakPolarHBondContact O-CB 3.36Å; K337-L339 PolarHBondContact O-N 3.39Å; K337-L339 VanDerWaalsContact O-N 3.17Å; K337-G340 PolarHBondContact O-N 3Å
338S97.2Very high96.4Very high16 Ų1634.6 Ų34.611%0.11221%0.208CC..G310 helixtrans-66.5-12.2178.348.60000114.3Y256 K259 R261 M264 F336 G340Y256-S338 WeakPolarHBondContact O-CB 3.39Å; Y256-S338 PolarHBondContact O-OG 2.81Å; K259-S338 WeakPolarHBondContact O-CB 3.36Å; R261-S338 WeakPolarHBondContact CA-O 3.26Å; R261-S338 WeakPolarHBondContact CG-O 3.49Å; M264-S338 WeakPolarHBondContact CG-OG 3.49Å; F336-S338 VanDerWaalsContact C-N 3.26Å; F336-S338 PolarHBondContact O-N 3.33Å; F336-S338 VanDerWaalsContact O-N 3.14Å; S338-G340 VanDerWaalsContact C-N 3.26Å; S338-G340 PolarHBondContact O-N 3.06Å
339L96.8Very high96.9Very high7 Ų733.6 Ų33.64%0.03720%0.195CC..G310 helixtrans-67.4-25.3169.5-66171.3000113R261 M264 W265 C268 F336 K337 C341 I345R261-L339 PolarHBondContact NE-O 3.31Å; R261-L339 PolarHBondContact NH2-O 2.9Å; M264-L339 HydrophobicContact CB-CD2 4.01Å; M264-L339 HydrophobicContact CB-CG 4.49Å; M264-L339 HydrophobicContact CG-CD2 3.63Å; M264-L339 HydrophobicContact CG-CG 3.75Å; W265-L339 HydrophobicContact CB-CD2 4.29Å; W265-L339 HydrophobicContact CD2-CD2 4.06Å; W265-L339 HydrophobicContact CG-CD2 3.75Å; W265-L339 PolarHBondContact NE1-O 2.84Å; C268-L339 HydrophobicContact CB-CD2 4.44Å; F336-L339 HydrophobicContact CB-CD1 4.12Å; F336-L339 HydrophobicContact CD1-CD1 4.23Å; F336-L339 VanDerWaalsContact O-CB 3.28Å; F336-L339 WeakPolarHBondContact O-CB 3.37Å; F336-L339 WeakPolarHBondContact O-CG 3.47Å; F336-L339 PolarHBondContact O-N 3.48Å; K337-L339 PolarHBondContact O-N 3.39Å; K337-L339 VanDerWaalsContact O-N 3.17Å; L339-C341 WeakPolarHBondContact CB-SG 3.43Å; L339-I345 HydrophobicContact CD1-CD1 3.86Å; L339-I345 HydrophobicContact CD1-CG1 4.39Å
340G96Very high97.1Very high38 Ų3836.7 Ų36.739%0.39221%0.211SC..SBendtrans60.445.8-173.700000112.7R261 K337 S338R261-G340 PolarHBondContact NH2-O 3.44Å; K337-G340 PolarHBondContact O-N 3Å; S338-G340 VanDerWaalsContact C-N 3.26Å; S338-G340 PolarHBondContact O-N 3.06Å
341C96.1Very high97.3Very high4 Ų436.4 Ų36.43%0.02721%0.21CC..  trans-144.246.3176.460.40000111.1L339 D343 L344 I345 K432L339-C341 WeakPolarHBondContact CB-SG 3.43Å; C341-D343 PolarHBondContact O-N 3.43Å; C341-D343 VanDerWaalsContact O-N 3.09Å; C341-L344 HydrophobicContact CB-CB 4.26Å; C341-L344 WeakPolarHBondContact O-CB 3.43Å; C341-L344 PolarHBondContact O-N 3.37Å; C341-I345 PolarHBondContact O-N 3Å; C341-I345 VanDerWaalsContact O-N 3.09Å; C341-K432 HydrophobicContact CB-CB 4.35Å; C341-K432 HydrophobicContact CB-CD 4.29Å; C341-K432 HydrophobicContact CB-CG 3.9Å
342D96.3Very high97.4Very high88 Ų8836.4 Ų36.447%0.47121%0.21SC..Hα-helixtrans-54.6-32-174-53.4-47.9000112.8I345 S346D342-I345 PolarHBondContact O-N 3.42Å; D342-S346 VanDerWaalsContact O-CB 3.27Å; D342-S346 WeakPolarHBondContact O-CB 3.41Å; D342-S346 PolarHBondContact O-N 3.2Å; D342-S346 PolarHBondContact O-OG 3.29Å
343D97.4Very high97.4Very high67 Ų6740.7 Ų40.736%0.35822%0.223SC..Hα-helixtrans-61.7-46.2174.466.6-52.4000112.1C341 S347 R428 K432C341-D343 PolarHBondContact O-N 3.43Å; C341-D343 VanDerWaalsContact O-N 3.09Å; D343-S347 PolarHBondContact O-N 2.94Å; D343-S347 PolarHBondContact O-OG 3.49Å; D343-R428 VanDerWaalsContact C-NH1 3.31Å; D343-R428 PolarHBondContact O-NH1 3.19Å; D343-R428 VanDerWaalsContact OD2-CD 3.24Å; D343-R428 WeakPolarHBondContact OD2-CD 3.44Å; D343-K432 VanDerWaalsContact CG-CE 3.48Å; D343-K432 WeakPolarHBondContact OD1-CE 3.17Å; D343-K432 IonicContact OD1-NZ 2.72Å; D343-K432 PolarHBondContact OD1-NZ 2.95Å; D343-K432 WeakPolarHBondContact OD2-CE 3.33Å; D343-K432 IonicContact OD2-NZ 2.87Å; D343-K432 PolarHBondContact OD2-NZ 3.22Å
344L97.9Very high97.3Very high10 Ų1041.7 Ų41.75%0.05223%0.226CC..Hα-helixtrans-65.3-48.1176.3175.260.9000110.6C341 S346 S347 V348 L425 R428 H429 K432C341-L344 HydrophobicContact CB-CB 4.26Å; C341-L344 WeakPolarHBondContact O-CB 3.43Å; C341-L344 PolarHBondContact O-N 3.37Å; L344-S346 PolarHBondContact O-N 3.49Å; L344-S347 PolarHBondContact O-N 3.18Å; L344-V348 HydrophobicContact CD1-CG2 4.17Å; L344-V348 HydrophobicContact CG-CG2 4.49Å; L344-V348 WeakPolarHBondContact O-CG2 3.5Å; L344-V348 PolarHBondContact O-N 3.38Å; L344-L425 HydrophobicContact CD1-CD2 4.49Å; L344-R428 HydrophobicContact CB-CG 4.22Å; L344-R428 HydrophobicContact CD1-CB 4.24Å; L344-R428 HydrophobicContact CD1-CG 4.04Å; L344-H429 HydrophobicContact CD2-CB 4.24Å; L344-K432 HydrophobicContact CB-CG 4.4Å; L344-K432 HydrophobicContact CD2-CB 4.44Å; L344-K432 HydrophobicContact CD2-CG 4.1Å
345I98.3Very high97.4Very high20 Ų2037.6 Ų37.610%0.10320%0.204CC..Hα-helixtrans-60.5-47.5-179.5-61.6-57.9000111.1P333 F336 L339 C341 D342 S347 V348 F349P333-I345 HydrophobicContact CB-CG2 4.06Å; F336-I345 HydrophobicContact CB-CD1 3.9Å; F336-I345 HydrophobicContact CB-CG1 3.91Å; F336-I345 HydrophobicContact CB-CG2 4Å; F336-I345 HydrophobicContact CD1-CD1 4.46Å; F336-I345 HydrophobicContact CD2-CG2 4.4Å; F336-I345 HydrophobicContact CG-CD1 4.23Å; F336-I345 HydrophobicContact CG-CG2 4.42Å; L339-I345 HydrophobicContact CD1-CD1 3.86Å; L339-I345 HydrophobicContact CD1-CG1 4.39Å; C341-I345 PolarHBondContact O-N 3Å; C341-I345 VanDerWaalsContact O-N 3.09Å; D342-I345 PolarHBondContact O-N 3.42Å; I345-S347 VanDerWaalsContact C-N 3.3Å; I345-S347 PolarHBondContact O-N 3.18Å; I345-V348 PolarHBondContact O-N 3.25Å; I345-V348 VanDerWaalsContact O-N 3.1Å; I345-F349 HydrophobicContact CG2-CD2 3.86Å; I345-F349 HydrophobicContact CG2-CE2 3.84Å; I345-F349 WeakPolarHBondContact O-CD2 3.38Å; I345-F349 PolarHBondContact O-N 3.44Å
346S98.1Very high97.3Very high69 Ų6938.5 Ų38.548%0.48321%0.21SC..Hα-helixtrans-55.3-45.7178.1-60.60000111.4D342 L344 F349 E350D342-S346 VanDerWaalsContact O-CB 3.27Å; D342-S346 WeakPolarHBondContact O-CB 3.41Å; D342-S346 PolarHBondContact O-N 3.2Å; D342-S346 PolarHBondContact O-OG 3.29Å; L344-S346 PolarHBondContact O-N 3.49Å; S346-F349 PolarHBondContact O-N 3.49Å; S346-E350 VanDerWaalsContact O-CB 3.32Å; S346-E350 WeakPolarHBondContact O-CB 3.32Å; S346-E350 PolarHBondContact O-N 2.93Å
347S98.4Very high97.1Very high29 Ų2941.2 Ų41.220%0.20323%0.231CC..Hα-helixtrans-72.8-28.2178.2-63.70000114.5D343 L344 I345 F351 R428D343-S347 PolarHBondContact O-N 2.94Å; D343-S347 PolarHBondContact O-OG 3.49Å; L344-S347 PolarHBondContact O-N 3.18Å; I345-S347 VanDerWaalsContact C-N 3.3Å; I345-S347 PolarHBondContact O-N 3.18Å; S347-F351 VanDerWaalsContact O-CB 3.29Å; S347-F351 WeakPolarHBondContact O-CB 3.47Å; S347-F351 PolarHBondContact O-N 2.95Å; S347-R428 PolarHBondContact OG-NH1 2.88Å; S347-R428 PolarHBondContact OG-NH2 3.15Å
348V98.3Very high97.1Very high15 Ų1537.1 Ų37.19%0.09121%0.214CC..Hα-helixtrans-65.4-46.7171.9168.10000109.8F310 M313 L344 I345 F351 G352 L425F310-V348 HydrophobicContact CD1-CG1 4.17Å; F310-V348 HydrophobicContact CD1-CG2 4.36Å; F310-V348 HydrophobicContact CE1-CB 4.47Å; F310-V348 HydrophobicContact CE1-CG1 3.95Å; F310-V348 HydrophobicContact CE1-CG2 3.62Å; F310-V348 HydrophobicContact CZ-CG2 3.93Å; M313-V348 HydrophobicContact CE-CG1 3.71Å; M313-V348 WeakPolarHBondContact CE-O 3.46Å; M313-V348 HydrophobicContact SD-CG1 3.68Å; L344-V348 HydrophobicContact CD1-CG2 4.17Å; L344-V348 HydrophobicContact CG-CG2 4.49Å; L344-V348 WeakPolarHBondContact O-CG2 3.5Å; L344-V348 PolarHBondContact O-N 3.38Å; I345-V348 PolarHBondContact O-N 3.25Å; I345-V348 VanDerWaalsContact O-N 3.1Å; V348-F351 PolarHBondContact O-N 3.01Å; V348-G352 PolarHBondContact O-N 3.21Å; V348-L425 HydrophobicContact CG2-CD2 3.96Å
349F98.4Very high96.9Very high8 Ų843.5 Ų43.54%0.03524%0.242CC..Hα-helixtrans-64.2-43.3175.8-84.8-110.7000112F317 N322 V324 P333 F336 I345 S346 F351 G352 K353F317-F349 HydrophobicContact CE2-CB 4.24Å; F317-F349 AromaticContact CE2-CD1 3.64Å; F317-F349 HydrophobicContact CE2-CD1 3.64Å; F317-F349 HydrophobicContact CE2-CE1 4.19Å; F317-F349 HydrophobicContact CE2-CG 4.02Å; F317-F349 HydrophobicContact CZ-CB 4.36Å; F317-F349 AromaticContact CZ-CD1 3.97Å; F317-F349 HydrophobicContact CZ-CD1 3.97Å; F317-F349 HydrophobicContact CZ-CG 4.46Å; F317-F349 WeakPolarHBondContact CZ-O 3.45Å; N322-F349 WeakPolarHBondContact O-CD1 3.35Å; N322-F349 VanDerWaalsContact O-CE1 3.29Å; N322-F349 WeakPolarHBondContact O-CE1 3.47Å; V324-F349 HydrophobicContact CB-CZ 4.43Å; V324-F349 HydrophobicContact CG1-CE1 4.31Å; V324-F349 HydrophobicContact CG1-CE2 4.17Å; V324-F349 HydrophobicContact CG1-CZ 3.68Å; P333-F349 HydrophobicContact CB-CD2 4.49Å; P333-F349 HydrophobicContact CB-CE1 4.42Å; P333-F349 HydrophobicContact CB-CE2 4.4Å; P333-F349 HydrophobicContact CB-CZ 4.36Å; F336-F349 HydrophobicContact CD2-CE2 4Å; F336-F349 HydrophobicContact CD2-CZ 4.1Å; F336-F349 AromaticContact CE2-CE2 3.97Å; F336-F349 HydrophobicContact CE2-CE2 3.97Å; F336-F349 AromaticContact CE2-CZ 3.82Å; F336-F349 HydrophobicContact CE2-CZ 3.82Å; I345-F349 HydrophobicContact CG2-CD2 3.86Å; I345-F349 HydrophobicContact CG2-CE2 3.84Å; I345-F349 WeakPolarHBondContact O-CD2 3.38Å; I345-F349 PolarHBondContact O-N 3.44Å; S346-F349 PolarHBondContact O-N 3.49Å; F349-F351 VanDerWaalsContact C-N 3.34Å; F349-F351 PolarHBondContact O-N 2.79Å; F349-G352 PolarHBondContact O-N 2.81Å; F349-K353 WeakPolarHBondContact O-CB 3.42Å; F349-K353 PolarHBondContact O-N 3.17Å
350E97.9Very high96.9Very high118 Ų11843.9 Ų43.955%0.55124%0.244SC*.Hα-helixtrans-60.9-41.5175-179.7172-159.700111.9S346 N354S346-E350 VanDerWaalsContact O-CB 3.32Å; S346-E350 WeakPolarHBondContact O-CB 3.32Å; S346-E350 PolarHBondContact O-N 2.93Å; E350-N354 WeakPolarHBondContact CG-ND2 3.49Å; E350-N354 VanDerWaalsContact O-CB 3.23Å; E350-N354 WeakPolarHBondContact O-CB 3.49Å; E350-N354 PolarHBondContact O-N 2.98Å; E350-N354 PolarHBondContact O-ND2 2.81Å
351F98.3Very high96.9Very high5 Ų543.5 Ų43.52%0.02224%0.235CC..Hα-helixtrans-62.8-46.2173.7177.7-90.6000111.9F310 S347 V348 F349 K353 N354 L355 K418 T421 L422 L425F310-F351 HydrophobicContact CB-CD1 4.38Å; F310-F351 HydrophobicContact CB-CE1 4.19Å; S347-F351 VanDerWaalsContact O-CB 3.29Å; S347-F351 WeakPolarHBondContact O-CB 3.47Å; S347-F351 PolarHBondContact O-N 2.95Å; V348-F351 PolarHBondContact O-N 3.01Å; F349-F351 VanDerWaalsContact C-N 3.34Å; F349-F351 PolarHBondContact O-N 2.79Å; F351-K353 PolarHBondContact O-N 2.9Å; F351-N354 PolarHBondContact O-N 3.39Å; F351-L355 HydrophobicContact CE1-CB 4.48Å; F351-L355 HydrophobicContact CE1-CD2 3.85Å; F351-L355 HydrophobicContact CZ-CD2 4.01Å; F351-L355 WeakPolarHBondContact O-CB 3.22Å; F351-L355 PolarHBondContact O-N 3.24Å; F351-K418 HydrophobicContact CE2-CB 4.2Å; F351-K418 HydrophobicContact CE2-CD 4.47Å; F351-T421 HydrophobicContact CD2-CG2 3.83Å; F351-T421 HydrophobicContact CE2-CG2 4.49Å; F351-L422 HydrophobicContact CE1-CD2 3.73Å; F351-L422 HydrophobicContact CE2-CD2 3.84Å; F351-L422 HydrophobicContact CE2-CG 3.81Å; F351-L422 HydrophobicContact CZ-CD1 4.18Å; F351-L422 HydrophobicContact CZ-CD2 3.34Å; F351-L422 HydrophobicContact CZ-CG 3.66Å; F351-L425 HydrophobicContact CB-CD1 3.72Å; F351-L425 HydrophobicContact CD1-CD1 4.21Å; F351-L425 HydrophobicContact CD2-CD1 4.01Å; F351-L425 HydrophobicContact CG-CD1 3.7Å
352G97.4Very high96.9Very high0 Ų044.6 Ų44.60%024%0.24CC..Hα-helixtrans-54.4-53.9175.600000111.6V348 F349 N354 L355 C356V348-G352 PolarHBondContact O-N 3.21Å; F349-G352 PolarHBondContact O-N 2.81Å; G352-N354 VanDerWaalsContact C-N 3.34Å; G352-N354 PolarHBondContact O-N 3.23Å; G352-L355 PolarHBondContact O-N 3.41Å; G352-L355 VanDerWaalsContact O-N 3.11Å; G352-C356 PolarHBondContact O-N 3.41Å; G352-C356 PolarHBondContact O-SG 3.41Å
353K96.6Very high97Very high107 Ų10743.5 Ų43.547%0.46523%0.234SC..Hα-helixtrans-56.8-44.5176.8-171.1174.2-175.9173.40112.6F317 F349 F351 L355 C356 S357F317-K353 HydrophobicContact CE1-CB 3.87Å; F317-K353 HydrophobicContact CZ-CB 4.23Å; F349-K353 WeakPolarHBondContact O-CB 3.42Å; F349-K353 PolarHBondContact O-N 3.17Å; F351-K353 PolarHBondContact O-N 2.9Å; K353-L355 VanDerWaalsContact C-N 3.31Å; K353-L355 PolarHBondContact O-N 3.44Å; K353-C356 PolarHBondContact O-N 2.82Å; K353-S357 PolarHBondContact O-N 2.72Å; K353-S357 PolarHBondContact O-OG 2.79Å
354N96.3Very high97Very high64 Ų6440.4 Ų40.434%0.34222%0.217SC..Hα-helixtrans-66.8-25.7177.7-90.2-73.6000114.4E350 F351 G352 S357E350-N354 WeakPolarHBondContact CG-ND2 3.49Å; E350-N354 VanDerWaalsContact O-CB 3.23Å; E350-N354 WeakPolarHBondContact O-CB 3.49Å; E350-N354 PolarHBondContact O-N 2.98Å; E350-N354 PolarHBondContact O-ND2 2.81Å; F351-N354 PolarHBondContact O-N 3.39Å; G352-N354 VanDerWaalsContact C-N 3.34Å; G352-N354 PolarHBondContact O-N 3.23Å; N354-S357 PolarHBondContact O-OG 3.41Å; N354-S357 VanDerWaalsContact O-OG 3.13Å
355L97Very high97.1Very high1 Ų140.2 Ų40.21%0.00522%0.216CC..Hα-helixtrans-87.5-38.3176.9-167.360.7000110.7V311 C314 F351 G352 K353 S357 M358 L360 L415V311-L355 HydrophobicContact CG1-CD2 4.36Å; C314-L355 HydrophobicContact CB-CB 4.2Å; C314-L355 HydrophobicContact CB-CD2 3.94Å; C314-L355 HydrophobicContact CB-CG 4.1Å; F351-L355 HydrophobicContact CE1-CB 4.48Å; F351-L355 HydrophobicContact CE1-CD2 3.85Å; F351-L355 HydrophobicContact CZ-CD2 4.01Å; F351-L355 WeakPolarHBondContact O-CB 3.22Å; F351-L355 PolarHBondContact O-N 3.24Å; G352-L355 PolarHBondContact O-N 3.41Å; G352-L355 VanDerWaalsContact O-N 3.11Å; K353-L355 VanDerWaalsContact C-N 3.31Å; K353-L355 PolarHBondContact O-N 3.44Å; L355-S357 VanDerWaalsContact C-N 3.32Å; L355-S357 PolarHBondContact O-N 3.11Å; L355-M358 HydrophobicContact CD1-SD 4.23Å; L355-M358 WeakPolarHBondContact O-CB 3.37Å; L355-M358 PolarHBondContact O-N 3.49Å; L355-M358 VanDerWaalsContact O-N 3.11Å; L355-L360 HydrophobicContact CD1-CD1 3.73Å; L355-L360 HydrophobicContact CG-CD1 4.23Å; L355-L415 HydrophobicContact CD1-CD2 4.29Å
356C95.5Very high97.1Very high20 Ų2039.2 Ų39.214%0.13521%0.211CC..Hα-helixtrans-60.8-37.6172.9-66.30000112.6C314 G352 K353 M358 H359C314-C356 PolarHBondContact O-SG 3.25Å; C314-C356 VanDerWaalsContact O-SG 3.37Å; G352-C356 PolarHBondContact O-N 3.41Å; G352-C356 PolarHBondContact O-SG 3.41Å; K353-C356 PolarHBondContact O-N 2.82Å; C356-M358 PolarHBondContact O-N 3.09Å; C356-H359 PolarHBondContact O-N 3.28Å
357S95.1Very high97.1Very high72 Ų7236 Ų3650%0.50319%0.188SC..THydrogen-bonded Turntrans-67.9-10176.265.20000114.3K353 N354 L355 H359K353-S357 PolarHBondContact O-N 2.72Å; K353-S357 PolarHBondContact O-OG 2.79Å; N354-S357 PolarHBondContact O-OG 3.41Å; N354-S357 VanDerWaalsContact O-OG 3.13Å; L355-S357 VanDerWaalsContact C-N 3.32Å; L355-S357 PolarHBondContact O-N 3.11Å; S357-H359 VanDerWaalsContact C-N 3.29Å; S357-H359 PolarHBondContact O-CD2 2.99Å
358M95.2Very high97.1Very high22 Ų2234.6 Ų34.611%0.10818%0.179CC..THydrogen-bonded Turntrans-82.4-6.3169.3-60.3-174.364.500112.7L355 C356 L360 R407 I411 K414 L415L355-M358 HydrophobicContact CD1-SD 4.23Å; L355-M358 WeakPolarHBondContact O-CB 3.37Å; L355-M358 PolarHBondContact O-N 3.49Å; L355-M358 VanDerWaalsContact O-N 3.11Å; C356-M358 PolarHBondContact O-N 3.09Å; M358-L360 HydrophobicContact CB-CD2 3.98Å; M358-L360 HydrophobicContact CB-CG 4.05Å; M358-L360 PolarHBondContact O-N 3.41Å; M358-R407 PolarHBondContact O-NH2 3.11Å; M358-I411 HydrophobicContact CE-CD1 4.43Å; M358-I411 HydrophobicContact CE-CG2 4.23Å; M358-K414 HydrophobicContact CE-CB 3.62Å; M358-L415 HydrophobicContact CE-CD2 3.71Å; M358-L415 HydrophobicContact CE-CG 3.79Å; M358-L415 HydrophobicContact SD-CD2 4.11Å
359H94.6Very high97.2Very high149 Ų14933.9 Ų33.969%0.6917%0.174SC*.  trans46.355.3177.6-59.8-72.5000112.9C356 S357 R407C356-H359 PolarHBondContact O-N 3.28Å; S357-H359 VanDerWaalsContact C-N 3.29Å; S357-H359 PolarHBondContact O-CD2 2.99Å; H359-R407 PolarHBondContact O-NH1 2.9Å
360L96.4Very high97.2Very high16 Ų1633.5 Ų33.58%0.08417%0.173CC..  trans-75.9142.9-177.7-56.9176.6000111.6L355 M358 E364 I365 L415L355-L360 HydrophobicContact CD1-CD1 3.73Å; L355-L360 HydrophobicContact CG-CD1 4.23Å; M358-L360 HydrophobicContact CB-CD2 3.98Å; M358-L360 HydrophobicContact CB-CG 4.05Å; M358-L360 PolarHBondContact O-N 3.41Å; L360-E364 VanDerWaalsContact CA-OE2 3.29Å; L360-E364 WeakPolarHBondContact CA-OE2 3.46Å; L360-E364 HydrophobicContact CB-CB 4.16Å; L360-E364 HydrophobicContact CD2-CB 4.38Å; L360-I365 HydrophobicContact CB-CD1 4.2Å; L360-I365 HydrophobicContact CB-CG1 3.69Å; L360-I365 HydrophobicContact CD1-CG1 4.21Å; L360-L415 HydrophobicContact CD1-CD2 3.77Å; L360-L415 HydrophobicContact CD2-CD1 4.45Å; L360-L415 HydrophobicContact CD2-CD2 4.13Å
361S96.4Very high97.2Very high30 Ų3028.5 Ų28.521%0.2115%0.149CC..  trans-73.9164.6168.472.60000111.4D363 E364 I365S361-D363 PolarHBondContact O-N 3.48Å; S361-E364 PolarHBondContact N-OE2 3.5Å; S361-E364 PolarHBondContact O-N 3.11Å; S361-E364 VanDerWaalsContact OG-CD 3.25Å; S361-E364 VanDerWaalsContact OG-CG 3.23Å; S361-E364 WeakPolarHBondContact OG-CG 3.44Å; S361-E364 PolarHBondContact OG-N 2.87Å; S361-I365 VanDerWaalsContact O-CG1 3.28Å; S361-I365 WeakPolarHBondContact O-CG1 3.49Å; S361-I365 PolarHBondContact O-N 3.01Å
362E95.6Very high97.2Very high26 Ų2628.3 Ų28.312%0.12115%0.148CC..Hα-helixtrans-60.5-35.3175.8-61.5-70118.200111.3M230 R237 R315 I365 A366M230-E362 HydrophobicContact SD-CB 4.01Å; M230-E362 HydrophobicContact SD-CG 4.07Å; R237-E362 IonicContact CZ-OE1 3.71Å; R237-E362 VanDerWaalsContact CZ-OE1 3.26Å; R237-E362 IonicContact NE-OE1 2.68Å; R237-E362 PolarHBondContact NE-OE1 3.32Å; R237-E362 IonicContact NH2-OE1 3.96Å; R237-E362 PolarHBondContact NH2-OE1 3.3Å; R315-E362 IonicContact CZ-OE2 2.65Å; R315-E362 IonicContact NE-OE1 3.47Å; R315-E362 IonicContact NE-OE2 2.81Å; R315-E362 PolarHBondContact NE-OE2 2.65Å; R315-E362 IonicContact NH2-OE2 3.38Å; R315-E362 PolarHBondContact NH2-OE2 3.24Å; E362-I365 PolarHBondContact O-N 3.12Å; E362-A366 VanDerWaalsContact O-CB 3.25Å; E362-A366 WeakPolarHBondContact O-CB 3.41Å; E362-A366 PolarHBondContact O-N 3.4Å
363D97.9Very high97.3Very high66 Ų6628.3 Ų28.335%0.35315%0.148SC..Hα-helixtrans-65.7-42.8176.4-59.6-41.3000112.1S226 S361 A366 L367 V401S226-D363 WeakPolarHBondContact CB-OD1 3.01Å; S226-D363 WeakPolarHBondContact OG-CA 3.14Å; S226-D363 WeakPolarHBondContact OG-CB 3.44Å; S226-D363 PolarHBondContact OG-OD1 2.89Å; S361-D363 PolarHBondContact O-N 3.48Å; D363-A366 WeakPolarHBondContact O-CB 3.37Å; D363-A366 PolarHBondContact O-N 2.98Å; D363-L367 WeakPolarHBondContact O-CB 3.29Å; D363-L367 PolarHBondContact O-N 3.35Å; D363-V401 HydrophobicContact CB-CG1 3.98Å
364E98.3Very high97.4Very high2 Ų223.2 Ų23.21%0.00913%0.126CC..Hα-helixtrans-66.2-40.4176.8-70161.7-17400111.3L360 S361 F368 V401 L402 N405 R407L360-E364 VanDerWaalsContact CA-OE2 3.29Å; L360-E364 WeakPolarHBondContact CA-OE2 3.46Å; L360-E364 HydrophobicContact CB-CB 4.16Å; L360-E364 HydrophobicContact CD2-CB 4.38Å; S361-E364 PolarHBondContact N-OE2 3.5Å; S361-E364 PolarHBondContact O-N 3.11Å; S361-E364 VanDerWaalsContact OG-CD 3.25Å; S361-E364 VanDerWaalsContact OG-CG 3.23Å; S361-E364 WeakPolarHBondContact OG-CG 3.44Å; S361-E364 PolarHBondContact OG-N 2.87Å; E364-F368 WeakPolarHBondContact O-CB 3.3Å; E364-F368 PolarHBondContact O-N 2.97Å; E364-V401 HydrophobicContact CG-CG1 4.19Å; E364-L402 HydrophobicContact CG-CD2 3.83Å; E364-N405 PolarHBondContact OE1-ND2 3.27Å; E364-R407 WeakPolarHBondContact OE1-CD 3.13Å; E364-R407 IonicContact OE1-NH1 2.69Å; E364-R407 IonicContact OE2-CZ 2.91Å; E364-R407 IonicContact OE2-NH1 3.95Å; E364-R407 PolarHBondContact OE2-NH1 2.83Å
365I98.4Very high97.3Very high5 Ų520.2 Ų20.23%0.02611%0.11CC..Hα-helixtrans-65.1-41173.9-65.2165.1000110.6H229 V311 R315 L360 S361 E362 S369H229-I365 WeakPolarHBondContact NE2-CG2 3.39Å; V311-I365 HydrophobicContact CG1-CG2 4.32Å; R315-I365 HydrophobicContact CG-CD1 4.02Å; R315-I365 HydrophobicContact CG-CG2 4.47Å; L360-I365 HydrophobicContact CB-CD1 4.2Å; L360-I365 HydrophobicContact CB-CG1 3.69Å; L360-I365 HydrophobicContact CD1-CG1 4.21Å; S361-I365 VanDerWaalsContact O-CG1 3.28Å; S361-I365 WeakPolarHBondContact O-CG1 3.49Å; S361-I365 PolarHBondContact O-N 3.01Å; E362-I365 PolarHBondContact O-N 3.12Å; I365-S369 VanDerWaalsContact O-CB 3.24Å; I365-S369 WeakPolarHBondContact O-CB 3.27Å; I365-S369 PolarHBondContact O-N 3.38Å; I365-S369 PolarHBondContact O-OG 2.96Å
366A98.7Very high97.2Very high0 Ų020.5 Ų20.50%011%0.113CC..Hα-helixtrans-62.9-50.8178.300000111.8I225 H229 E362 D363 S369 A370I225-A366 HydrophobicContact CG2-CB 3.96Å; I225-A366 WeakPolarHBondContact CG2-O 3.46Å; H229-A366 HydrophobicContact CB-CB 3.34Å; E362-A366 VanDerWaalsContact O-CB 3.25Å; E362-A366 WeakPolarHBondContact O-CB 3.41Å; E362-A366 PolarHBondContact O-N 3.4Å; D363-A366 WeakPolarHBondContact O-CB 3.37Å; D363-A366 PolarHBondContact O-N 2.98Å; A366-S369 WeakPolarHBondContact O-CB 3.34Å; A366-S369 PolarHBondContact O-N 2.91Å; A366-A370 PolarHBondContact O-N 3.03Å
367L98.8Very high97.1Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-68.1-39.1-179.8-79.4160.3000112.3A222 I225 D363 A370 F371 I394 A397 L398 V401A222-L367 HydrophobicContact CB-CD1 4.04Å; I225-L367 HydrophobicContact CB-CD2 4.24Å; I225-L367 HydrophobicContact CD1-CD2 3.8Å; I225-L367 HydrophobicContact CG2-CD2 4.09Å; I225-L367 HydrophobicContact CG2-CG 4.15Å; D363-L367 WeakPolarHBondContact O-CB 3.29Å; D363-L367 PolarHBondContact O-N 3.35Å; L367-A370 PolarHBondContact O-N 3.21Å; L367-F371 WeakPolarHBondContact O-CB 3.47Å; L367-F371 PolarHBondContact O-N 3.43Å; L367-I394 HydrophobicContact CD2-CG2 4.28Å; L367-A397 HydrophobicContact CD2-CB 3.88Å; L367-L398 HydrophobicContact CB-CB 4.04Å; L367-L398 HydrophobicContact CB-CD1 3.78Å; L367-L398 HydrophobicContact CB-CG 4.41Å; L367-V401 HydrophobicContact CD1-CB 3.89Å; L367-V401 HydrophobicContact CD1-CG1 4.31Å; L367-V401 HydrophobicContact CD1-CG2 3.55Å
368F98.8Very high97Very high0 Ų021.7 Ų21.70%011%0.11CC..Hα-helixtrans-66.3-38.6172.7-174.4-124.2000112.1V311 E364 A370 F371 V372 L415 K418 V419 L422V311-F368 HydrophobicContact CG1-CD1 3.81Å; V311-F368 HydrophobicContact CG1-CE1 4.36Å; V311-F368 HydrophobicContact CG2-CD1 3.96Å; V311-F368 HydrophobicContact CG2-CE1 3.72Å; E364-F368 WeakPolarHBondContact O-CB 3.3Å; E364-F368 PolarHBondContact O-N 2.97Å; F368-A370 VanDerWaalsContact C-N 3.34Å; F368-A370 PolarHBondContact O-N 3.47Å; F368-F371 HydrophobicContact CD2-CD1 4.23Å; F368-F371 HydrophobicContact CE2-CD1 4.26Å; F368-F371 PolarHBondContact O-N 3.27Å; F368-V372 HydrophobicContact CD2-CG2 4.22Å; F368-V372 HydrophobicContact CE1-CG2 4.2Å; F368-V372 HydrophobicContact CE2-CG2 3.83Å; F368-V372 HydrophobicContact CZ-CG2 3.81Å; F368-V372 WeakPolarHBondContact O-CB 3.42Å; F368-V372 WeakPolarHBondContact O-CG2 3.44Å; F368-V372 PolarHBondContact O-N 3.12Å; F368-L415 HydrophobicContact CD1-CD2 4.11Å; F368-L415 HydrophobicContact CD2-CB 4Å; F368-L415 HydrophobicContact CD2-CD2 4.39Å; F368-L415 HydrophobicContact CE1-CD2 4.27Å; F368-L415 HydrophobicContact CE2-CB 3.91Å; F368-L415 VanDerWaalsContact CE2-O 3.26Å; F368-L415 WeakPolarHBondContact CE2-O 3.34Å; F368-L415 HydrophobicContact CG-CD2 4.18Å; F368-L415 HydrophobicContact CZ-CB 4.43Å; F368-L415 HydrophobicContact CZ-CD2 4.5Å; F368-L415 VanDerWaalsContact CZ-O 3.24Å; F368-L415 WeakPolarHBondContact CZ-O 3.49Å; F368-K418 HydrophobicContact CZ-CB 4.17Å; F368-V419 HydrophobicContact CE2-CG2 4.17Å; F368-V419 HydrophobicContact CZ-CG2 4.35Å; F368-L422 HydrophobicContact CE1-CD1 4.38Å; F368-L422 HydrophobicContact CZ-CD1 4.33Å
369S98.8Very high96.8Very high0 Ų024.9 Ų24.90%014%0.135CC..Hα-helixtrans-59-43.8172.2-63.70000111.9V308 I365 A366 L373V308-S369 WeakPolarHBondContact CG2-O 3.35Å; I365-S369 VanDerWaalsContact O-CB 3.24Å; I365-S369 WeakPolarHBondContact O-CB 3.27Å; I365-S369 PolarHBondContact O-N 3.38Å; I365-S369 PolarHBondContact O-OG 2.96Å; A366-S369 WeakPolarHBondContact O-CB 3.34Å; A366-S369 PolarHBondContact O-N 2.91Å; S369-L373 WeakPolarHBondContact O-CB 3.29Å; S369-L373 PolarHBondContact O-N 3.23Å; S369-L373 VanDerWaalsContact O-N 3.07Å
370A98.8Very high96.7Very high0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-66.6-42.5177.200000111.8I225 F282 I286 A366 L367 F368 V372 L373 M374 I394I225-A370 HydrophobicContact CD1-CB 3.94Å; I225-A370 HydrophobicContact CG1-CB 4.4Å; I225-A370 HydrophobicContact CG2-CB 3.88Å; F282-A370 HydrophobicContact CE1-CB 4.39Å; F282-A370 HydrophobicContact CZ-CB 4.1Å; I286-A370 HydrophobicContact CD1-CB 3.87Å; A366-A370 PolarHBondContact O-N 3.03Å; L367-A370 PolarHBondContact O-N 3.21Å; F368-A370 VanDerWaalsContact C-N 3.34Å; F368-A370 PolarHBondContact O-N 3.47Å; A370-V372 PolarHBondContact O-N 3.02Å; A370-L373 PolarHBondContact O-N 3.48Å; A370-M374 WeakPolarHBondContact O-CB 3.49Å; A370-M374 VanDerWaalsContact O-CG 3.28Å; A370-M374 WeakPolarHBondContact O-CG 3.36Å; A370-M374 PolarHBondContact O-N 3.01Å; A370-I394 HydrophobicContact CB-CD1 4.25Å; A370-I394 HydrophobicContact CB-CG2 3.84Å
371F98.7Very high96.6Very high13 Ų1328 Ų286%0.05714%0.141CC..Hα-helixtrans-61.6-42.6177.3174.7-100.1000112.8L367 F368 Q391 I394 Q395 I416 V419L367-F371 WeakPolarHBondContact O-CB 3.47Å; L367-F371 PolarHBondContact O-N 3.43Å; F368-F371 HydrophobicContact CD2-CD1 4.23Å; F368-F371 HydrophobicContact CE2-CD1 4.26Å; F368-F371 PolarHBondContact O-N 3.27Å; F371-Q391 HydrophobicContact CD2-CG 3.83Å; F371-Q391 HydrophobicContact CE2-CG 3.85Å; F371-Q391 PolarHBondContact O-NE2 3.27Å; F371-I394 HydrophobicContact CB-CG2 4.04Å; F371-Q395 HydrophobicContact CD2-CB 3.96Å; F371-Q395 HydrophobicContact CE2-CB 3.94Å; F371-Q395 HydrophobicContact CE2-CG 4.2Å; F371-I416 HydrophobicContact CE1-CG1 4.01Å; F371-I416 HydrophobicContact CZ-CG1 4.08Å; F371-V419 HydrophobicContact CD1-CG2 4.49Å; F371-V419 HydrophobicContact CE1-CG2 4.03Å
372V98.6Very high96.6Very high1 Ų133 Ų331%0.00616%0.161CC..Hα-helixtrans-64.6-43.9175.4166.50000111.2E307 V308 V311 F368 A370 S375 V419 L422E307-V372 HydrophobicContact CB-CG1 3.49Å; E307-V372 VanDerWaalsContact CB-CG1 3.49Å; V308-V372 HydrophobicContact CG2-CG1 4.3Å; V311-V372 HydrophobicContact CG2-CG2 4.45Å; F368-V372 HydrophobicContact CD2-CG2 4.22Å; F368-V372 HydrophobicContact CE1-CG2 4.2Å; F368-V372 HydrophobicContact CE2-CG2 3.83Å; F368-V372 HydrophobicContact CZ-CG2 3.81Å; F368-V372 WeakPolarHBondContact O-CB 3.42Å; F368-V372 WeakPolarHBondContact O-CG2 3.44Å; F368-V372 PolarHBondContact O-N 3.12Å; A370-V372 PolarHBondContact O-N 3.02Å; V372-S375 PolarHBondContact O-OG 3.42Å; V372-V419 HydrophobicContact CG2-CG2 4.12Å; V372-L422 HydrophobicContact CG1-CD1 4.18Å; V372-L422 HydrophobicContact CG2-CD1 3.9Å
373L98.6Very high96.6Very high0 Ų034.8 Ų34.80%017%0.169CC..Hα-helixtrans-64-45.6178.7-177.762.6000112.2A283 I286 L301 V308 S369 A370 S375A283-L373 HydrophobicContact CB-CD2 3.55Å; I286-L373 HydrophobicContact CD1-CD2 4.23Å; L301-L373 HydrophobicContact CD2-CD1 4.27Å; V308-L373 HydrophobicContact CG2-CB 3.94Å; S369-L373 WeakPolarHBondContact O-CB 3.29Å; S369-L373 PolarHBondContact O-N 3.23Å; S369-L373 VanDerWaalsContact O-N 3.07Å; A370-L373 PolarHBondContact O-N 3.48Å; L373-S375 PolarHBondContact O-N 3.35Å
374M98Very high96.6Very high0 Ų036.9 Ų36.90%018%0.175CC..THydrogen-bonded Turntrans-79.340.3-175.7-63.3-54.8-56.400113.3F289 L292 L300 A370 A376 V387 L390 Q391 I394F289-M374 HydrophobicContact CD2-SD 3.74Å; F289-M374 HydrophobicContact CE2-SD 4.41Å; L292-M374 HydrophobicContact CD1-CE 3.9Å; L300-M374 HydrophobicContact CD1-CE 3.96Å; L300-M374 HydrophobicContact CD1-SD 4.19Å; A370-M374 WeakPolarHBondContact O-CB 3.49Å; A370-M374 VanDerWaalsContact O-CG 3.28Å; A370-M374 WeakPolarHBondContact O-CG 3.36Å; A370-M374 PolarHBondContact O-N 3.01Å; M374-A376 PolarHBondContact O-N 3.19Å; M374-V387 HydrophobicContact CE-CG1 4.33Å; M374-L390 HydrophobicContact CE-CB 4.23Å; M374-L390 HydrophobicContact CE-CD2 3.54Å; M374-L390 HydrophobicContact CE-CG 3.89Å; M374-Q391 HydrophobicContact CB-CB 4.36Å; M374-Q391 HydrophobicContact CB-CG 4.45Å; M374-Q391 WeakPolarHBondContact O-CB 3.3Å; M374-Q391 WeakPolarHBondContact O-CG 3.49Å; M374-Q391 PolarHBondContact O-OE1 3Å; M374-I394 HydrophobicContact CB-CD1 4.02Å; M374-I394 HydrophobicContact CG-CD1 3.53Å
375S95.8Very high96.5Very high1 Ų141.1 Ų41.11%0.00720%0.201CC..  trans-68.5112.8-179.2-75.60000112.6L300 V372 L373 D377 R378 R423L300-S375 VanDerWaalsContact CD2-O 3.3Å; L300-S375 WeakPolarHBondContact CD2-O 3.38Å; V372-S375 PolarHBondContact O-OG 3.42Å; L373-S375 PolarHBondContact O-N 3.35Å; S375-D377 VanDerWaalsContact C-N 3.28Å; S375-D377 VanDerWaalsContact CB-OD1 3.29Å; S375-D377 WeakPolarHBondContact CB-OD1 3.37Å; S375-D377 PolarHBondContact O-N 2.99Å; S375-R378 WeakPolarHBondContact O-CG 3.26Å; S375-R378 PolarHBondContact OG-NH2 3.36Å; S375-R423 PolarHBondContact OG-NH2 2.79Å
376A94.9Very high96.5Very high7 Ų744.2 Ų44.26%0.05822%0.215CC..THydrogen-bonded Turntrans-77.5-7.7175.800000114.7M374 R378 K384 V387 E388M374-A376 PolarHBondContact O-N 3.19Å; A376-R378 VanDerWaalsContact C-N 3.33Å; A376-K384 WeakPolarHBondContact O-CE 3.42Å; A376-V387 HydrophobicContact CB-CB 4.4Å; A376-V387 HydrophobicContact CB-CG1 4.03Å; A376-E388 HydrophobicContact CB-CB 3.72Å; A376-E388 HydrophobicContact CB-CG 4.32Å
377D92.5Very high96.5Very high89 Ų8944.2 Ų44.248%0.47622%0.215SC..THydrogen-bonded Turntrans-84.8-0.1178.971-58.2000113.9S375 R423S375-D377 VanDerWaalsContact C-N 3.28Å; S375-D377 VanDerWaalsContact CB-OD1 3.29Å; S375-D377 WeakPolarHBondContact CB-OD1 3.37Å; S375-D377 PolarHBondContact O-N 2.99Å; D377-R423 IonicContact OD1-CZ 2.91Å; D377-R423 IonicContact OD1-NH1 2.67Å; D377-R423 IonicContact OD1-NH2 3.64Å; D377-R423 PolarHBondContact OD1-NH2 3.46Å; D377-R423 IonicContact OD2-CZ 3.87Å; D377-R423 IonicContact OD2-NH1 2.71Å; D377-R423 PolarHBondContact OD2-NH1 3.1Å; D377-R423 IonicContact OD2-NH2 2.8Å; D377-R423 PolarHBondContact OD2-NH2 3.38Å; D377-R423 VanDerWaalsContact OD2-NH2 3.1Å
378R92.4Very high96.4Very high28 Ų2849 Ų4911%0.10624%0.237CC..  trans-68.5136.3177.5-53.2-53.9-178.3161.8-7111.3V299 L300 A303 E307 S375 A376 L381 R423V299-R378 HydrophobicContact CG1-CB 3.81Å; L300-R378 HydrophobicContact CD2-CG 4.27Å; A303-R378 HydrophobicContact CB-CG 4.07Å; A303-R378 PolarHBondContact O-NH1 3.47Å; E307-R378 IonicContact OE1-CZ 2.85Å; E307-R378 VanDerWaalsContact OE1-CZ 3.25Å; E307-R378 IonicContact OE1-NH1 3.82Å; E307-R378 PolarHBondContact OE1-NH1 2.72Å; E307-R378 IonicContact OE1-NH2 3.92Å; E307-R378 PolarHBondContact OE1-NH2 2.93Å; E307-R378 IonicContact OE2-CZ 3.14Å; E307-R378 IonicContact OE2-NH1 3.17Å; E307-R378 IonicContact OE2-NH2 3.68Å; E307-R378 PolarHBondContact OE2-NH2 3.34Å; S375-R378 WeakPolarHBondContact O-CG 3.26Å; S375-R378 PolarHBondContact OG-NH2 3.36Å; A376-R378 VanDerWaalsContact C-N 3.33Å; R378-L381 HydrophobicContact CB-CD1 4.1Å; R378-L381 HydrophobicContact CB-CG 4.19Å; R378-L381 WeakPolarHBondContact O-CG 3.36Å; R378-R423 VanDerWaalsContact CZ-NH2 3.29Å
379S91.3Very high96.4Very high89 Ų8955.2 Ų55.262%0.62226%0.264SS*.THydrogen-bonded Turntrans-60.1152168.8-49.70000111.3V299 L381V299-S379 VanDerWaalsContact CG1-O 3.24Å; V299-S379 WeakPolarHBondContact CG1-O 3.48Å; S379-L381 VanDerWaalsContact C-N 3.32Å; S379-L381 PolarHBondContact O-N 3.4Å
380W93.3Very high96.3Very high205 Ų20556.1 Ų56.178%0.77727%0.269SS*.THydrogen-bonded Turntrans69.513.9174.7-43.5103.3000116.9N295 V299N295-W380 PolarHBondContact ND2-O 2.91Å; V299-W380 HydrophobicContact CG2-CB 4.24Å
381L94.6Very high96.3Very high25 Ų2557.7 Ų57.713%0.13128%0.276CS..  trans-70.6133.8167.1-66.3175.3000111.4D296 V299 L300 R378 S379 K384 V387D296-L381 HydrophobicContact CB-CD2 3.84Å; D296-L381 WeakPolarHBondContact OD1-CA 3.45Å; V299-L381 HydrophobicContact CB-CD2 4Å; V299-L381 HydrophobicContact CG1-CD2 3.64Å; V299-L381 HydrophobicContact CG1-CG 4.07Å; L300-L381 HydrophobicContact CD2-CD2 4.18Å; L300-L381 HydrophobicContact CG-CD2 4.08Å; R378-L381 HydrophobicContact CB-CD1 4.1Å; R378-L381 HydrophobicContact CB-CG 4.19Å; R378-L381 WeakPolarHBondContact O-CG 3.36Å; S379-L381 VanDerWaalsContact C-N 3.32Å; S379-L381 PolarHBondContact O-N 3.4Å; L381-K384 HydrophobicContact CB-CB 4.31Å; L381-V387 HydrophobicContact CD1-CB 4.43Å; L381-V387 HydrophobicContact CD1-CG1 4.25Å; L381-V387 HydrophobicContact CD1-CG2 4.32Å; L381-V387 HydrophobicContact CD2-CG2 4.35Å
382Q95.3Very high96.3Very high136 Ų13662.8 Ų62.864%0.63630%0.3SS*.SBendtrans-89.3-44.5176.6-65.9177.4-0.400111.4N295 D296N295-Q382 HydrophobicContact CB-CG 4.5Å; D296-Q382 PolarHBondContact OD1-N 2.98Å; D296-Q382 PolarHBondContact OD2-N 3.38Å; D296-Q382 VanDerWaalsContact OD2-N 3.14Å
383E96Very high96.2Very high63 Ų6366.9 Ų66.929%0.29432%0.318SS..SBendtrans-100.942.7-178.5-57.8-172.893.400111.6L292 C293 D296 V385 K386 V387L292-E383 WeakPolarHBondContact CA-OE2 3.46Å; C293-E383 PolarHBondContact N-OE2 3.09Å; D296-E383 WeakPolarHBondContact OD2-CA 3.06Å; D296-E383 PolarHBondContact OD2-N 3.03Å; E383-V385 VanDerWaalsContact C-N 3.27Å; E383-V385 PolarHBondContact O-N 3.25Å; E383-K386 HydrophobicContact CB-CB 3.95Å; E383-K386 HydrophobicContact CB-CD 4.14Å; E383-K386 HydrophobicContact CG-CD 4.46Å; E383-K386 WeakPolarHBondContact O-CA 3.42Å; E383-K386 VanDerWaalsContact O-CB 3.27Å; E383-K386 WeakPolarHBondContact O-CB 3.34Å; E383-K386 PolarHBondContact O-N 3.5Å; E383-K386 WeakPolarHBondContact OE1-CD 3.19Å; E383-K386 IonicContact OE1-NZ 3.01Å; E383-K386 PolarHBondContact OE1-NZ 2.96Å; E383-K386 IonicContact OE2-NZ 3.17Å; E383-K386 PolarHBondContact OE2-NZ 3.01Å; E383-V387 PolarHBondContact O-N 3.41Å; E383-V387 VanDerWaalsContact O-N 3.14Å
384K97.3Very high96.2Very high110 Ų11066.9 Ų66.948%0.47832%0.318SS..Hα-helixtrans-47.1-44.3-172.9179.2170.9173.1171.70114.3A376 L381 K386 V387 E388A376-K384 WeakPolarHBondContact O-CE 3.42Å; L381-K384 HydrophobicContact CB-CB 4.31Å; K384-K386 VanDerWaalsContact C-N 3.28Å; K384-K386 PolarHBondContact O-N 2.84Å; K384-V387 PolarHBondContact O-N 2.91Å; K384-E388 WeakPolarHBondContact O-CB 3.24Å; K384-E388 PolarHBondContact O-N 3.3Å
385V97.6Very high96.2Very high91 Ų9170 Ų7055%0.55233%0.332SS*.Hα-helixtrans-63.7-30.6178.7178.80000112.7E383 K389E383-V385 VanDerWaalsContact C-N 3.27Å; E383-V385 PolarHBondContact O-N 3.25Å; V385-K389 HydrophobicContact CG1-CD 4.35Å; V385-K389 WeakPolarHBondContact O-CB 3.37Å; V385-K389 VanDerWaalsContact O-CG 3.26Å; V385-K389 WeakPolarHBondContact O-CG 3.36Å; V385-K389 PolarHBondContact O-N 3.43Å
386K97.5Very high96.3Very high71 Ų7172.9 Ų72.931%0.30935%0.347SS..Hα-helixtrans-75.9-40.8177.2-170.8-179.5174.9-172.30110.9E291 L292 E383 K384 K389 L390E291-K386 PolarHBondContact O-NZ 2.68Å; L292-K386 HydrophobicContact CD2-CB 4.32Å; L292-K386 HydrophobicContact CD2-CD 3.74Å; L292-K386 HydrophobicContact CD2-CG 3.82Å; E383-K386 HydrophobicContact CB-CB 3.95Å; E383-K386 HydrophobicContact CB-CD 4.14Å; E383-K386 HydrophobicContact CG-CD 4.46Å; E383-K386 WeakPolarHBondContact O-CA 3.42Å; E383-K386 VanDerWaalsContact O-CB 3.27Å; E383-K386 WeakPolarHBondContact O-CB 3.34Å; E383-K386 PolarHBondContact O-N 3.5Å; E383-K386 WeakPolarHBondContact OE1-CD 3.19Å; E383-K386 IonicContact OE1-NZ 3.01Å; E383-K386 PolarHBondContact OE1-NZ 2.96Å; E383-K386 IonicContact OE2-NZ 3.17Å; E383-K386 PolarHBondContact OE2-NZ 3.01Å; K384-K386 VanDerWaalsContact C-N 3.28Å; K384-K386 PolarHBondContact O-N 2.84Å; K386-K389 PolarHBondContact O-N 3.07Å; K386-L390 WeakPolarHBondContact O-CB 3.43Å; K386-L390 PolarHBondContact O-N 3.43Å
387V98.3Very high96.5Very high0 Ų072.5 Ų72.50%034%0.344CS..Hα-helixtrans-59.7-47.9171.2179.80000110.2L292 L300 M374 A376 L381 E383 K384 L390 Q391L292-V387 HydrophobicContact CD1-CG2 4.02Å; L292-V387 HydrophobicContact CD2-CG2 4.1Å; L300-V387 HydrophobicContact CD1-CG1 4.22Å; L300-V387 HydrophobicContact CD1-CG2 4.24Å; L300-V387 HydrophobicContact CD2-CG1 3.99Å; M374-V387 HydrophobicContact CE-CG1 4.33Å; A376-V387 HydrophobicContact CB-CB 4.4Å; A376-V387 HydrophobicContact CB-CG1 4.03Å; L381-V387 HydrophobicContact CD1-CB 4.43Å; L381-V387 HydrophobicContact CD1-CG1 4.25Å; L381-V387 HydrophobicContact CD1-CG2 4.32Å; L381-V387 HydrophobicContact CD2-CG2 4.35Å; E383-V387 PolarHBondContact O-N 3.41Å; E383-V387 VanDerWaalsContact O-N 3.14Å; K384-V387 PolarHBondContact O-N 2.91Å; V387-L390 PolarHBondContact O-N 3.46Å; V387-Q391 WeakPolarHBondContact O-CB 3.42Å; V387-Q391 PolarHBondContact O-N 3.14Å
388E98.1Very high96.8Very high100 Ų10068.3 Ų68.347%0.46732%0.322SS..Hα-helixtrans-60.2-46.5178.4-173.5171.3-161.900112.6A376 K384 L390 Q391 Q392A376-E388 HydrophobicContact CB-CB 3.72Å; A376-E388 HydrophobicContact CB-CG 4.32Å; K384-E388 WeakPolarHBondContact O-CB 3.24Å; K384-E388 PolarHBondContact O-N 3.3Å; E388-L390 VanDerWaalsContact C-N 3.31Å; E388-L390 PolarHBondContact O-N 2.77Å; E388-Q391 WeakPolarHBondContact O-CB 3.47Å; E388-Q391 PolarHBondContact O-N 3.32Å; E388-Q392 WeakPolarHBondContact O-CB 3.19Å; E388-Q392 PolarHBondContact O-N 3.47Å
389K97.6Very high97Very high131 Ų13170.5 Ų70.557%0.5733%0.333SS*.Hα-helixtrans-60.3-38.6174.4-76.7174.6-179.1-177.40112.7V385 K386 K393V385-K389 HydrophobicContact CG1-CD 4.35Å; V385-K389 WeakPolarHBondContact O-CB 3.37Å; V385-K389 VanDerWaalsContact O-CG 3.26Å; V385-K389 WeakPolarHBondContact O-CG 3.36Å; V385-K389 PolarHBondContact O-N 3.43Å; K386-K389 PolarHBondContact O-N 3.07Å; K389-K393 WeakPolarHBondContact O-CG 3.34Å; K389-K393 PolarHBondContact O-N 2.88Å; K389-K393 VanDerWaalsContact O-N 3.08Å
390L97.6Very high97.2Very high19 Ų1968.1 Ų68.110%0.09931%0.312CS..Hα-helixtrans-72.1-40.4176.9-175.749.1000111.3M374 K386 V387 E388 Q392 K393 I394M374-L390 HydrophobicContact CE-CB 4.23Å; M374-L390 HydrophobicContact CE-CD2 3.54Å; M374-L390 HydrophobicContact CE-CG 3.89Å; K386-L390 WeakPolarHBondContact O-CB 3.43Å; K386-L390 PolarHBondContact O-N 3.43Å; V387-L390 PolarHBondContact O-N 3.46Å; E388-L390 VanDerWaalsContact C-N 3.31Å; E388-L390 PolarHBondContact O-N 2.77Å; L390-Q392 VanDerWaalsContact C-N 3.34Å; L390-Q392 PolarHBondContact O-N 3.06Å; L390-K393 PolarHBondContact O-N 2.98Å; L390-I394 HydrophobicContact CD1-CD1 4.18Å; L390-I394 HydrophobicContact CD1-CG1 4.39Å; L390-I394 HydrophobicContact CG-CD1 4.11Å; L390-I394 WeakPolarHBondContact O-CD1 3.45Å; L390-I394 VanDerWaalsContact O-CG1 3.27Å; L390-I394 WeakPolarHBondContact O-CG1 3.39Å; L390-I394 PolarHBondContact O-N 3.16Å
391Q98.3Very high97.4Very high33 Ų3358.7 Ų58.715%0.15428%0.277CS..Hα-helixtrans-58.2-45.4172.9-162.7175.714.500111.6F371 M374 V387 E388 I394 Q395F371-Q391 HydrophobicContact CD2-CG 3.83Å; F371-Q391 HydrophobicContact CE2-CG 3.85Å; F371-Q391 PolarHBondContact O-NE2 3.27Å; M374-Q391 HydrophobicContact CB-CB 4.36Å; M374-Q391 HydrophobicContact CB-CG 4.45Å; M374-Q391 WeakPolarHBondContact O-CB 3.3Å; M374-Q391 WeakPolarHBondContact O-CG 3.49Å; M374-Q391 PolarHBondContact O-OE1 3Å; V387-Q391 WeakPolarHBondContact O-CB 3.42Å; V387-Q391 PolarHBondContact O-N 3.14Å; E388-Q391 WeakPolarHBondContact O-CB 3.47Å; E388-Q391 PolarHBondContact O-N 3.32Å; Q391-I394 PolarHBondContact O-N 3.32Å; Q391-Q395 PolarHBondContact O-N 2.85Å
392Q97.8Very high97.5Very high120 Ų12058 Ų5856%0.56127%0.273SS*.Hα-helixtrans-62.9-43.6177.6-169.8-177.321.800111.7E388 L390 I394 Q395 L396E388-Q392 WeakPolarHBondContact O-CB 3.19Å; E388-Q392 PolarHBondContact O-N 3.47Å; L390-Q392 VanDerWaalsContact C-N 3.34Å; L390-Q392 PolarHBondContact O-N 3.06Å; Q392-I394 VanDerWaalsContact C-N 3.32Å; Q392-I394 PolarHBondContact O-N 2.94Å; Q392-Q395 PolarHBondContact O-N 3.48Å; Q392-L396 HydrophobicContact CG-CD1 4.49Å; Q392-L396 WeakPolarHBondContact O-CG 3.44Å; Q392-L396 PolarHBondContact O-N 3.46Å
393K97.8Very high97.5Very high86 Ų8656.5 Ų56.537%0.37427%0.267SS..Hα-helixtrans-59.1-42.2173.4-77.3-176.1175.2-164.60112.2V213 L221 K389 L390 L396 A397V213-K393 HydrophobicContact CG2-CG 4.31Å; L221-K393 HydrophobicContact CD2-CB 3.88Å; K389-K393 WeakPolarHBondContact O-CG 3.34Å; K389-K393 PolarHBondContact O-N 2.88Å; K389-K393 VanDerWaalsContact O-N 3.08Å; L390-K393 PolarHBondContact O-N 2.98Å; K393-L396 PolarHBondContact O-N 3.15Å; K393-A397 WeakPolarHBondContact O-CB 3.46Å; K393-A397 PolarHBondContact O-N 3.27Å
394I98.6Very high97.4Very high0 Ų058.6 Ų58.60%028%0.275CS..Hα-helixtrans-67.3-39.2177.3-65.3162.9000111.2L221 I225 I286 L367 A370 F371 M374 L390 Q391 Q392 A397 L398L221-I394 HydrophobicContact CD2-CG1 4.1Å; I225-I394 HydrophobicContact CD1-CD1 4.44Å; I225-I394 HydrophobicContact CD1-CG1 3.9Å; I225-I394 HydrophobicContact CD1-CG2 4.26Å; I286-I394 HydrophobicContact CG2-CD1 4.41Å; L367-I394 HydrophobicContact CD2-CG2 4.28Å; A370-I394 HydrophobicContact CB-CD1 4.25Å; A370-I394 HydrophobicContact CB-CG2 3.84Å; F371-I394 HydrophobicContact CB-CG2 4.04Å; M374-I394 HydrophobicContact CB-CD1 4.02Å; M374-I394 HydrophobicContact CG-CD1 3.53Å; L390-I394 HydrophobicContact CD1-CD1 4.18Å; L390-I394 HydrophobicContact CD1-CG1 4.39Å; L390-I394 HydrophobicContact CG-CD1 4.11Å; L390-I394 WeakPolarHBondContact O-CD1 3.45Å; L390-I394 VanDerWaalsContact O-CG1 3.27Å; L390-I394 WeakPolarHBondContact O-CG1 3.39Å; L390-I394 PolarHBondContact O-N 3.16Å; Q391-I394 PolarHBondContact O-N 3.32Å; Q392-I394 VanDerWaalsContact C-N 3.32Å; Q392-I394 PolarHBondContact O-N 2.94Å; I394-A397 PolarHBondContact O-N 2.93Å; I394-L398 WeakPolarHBondContact O-CB 3.31Å; I394-L398 PolarHBondContact O-N 3.12Å
395Q98.1Very high97.3Very high65 Ų6556.3 Ų56.330%0.30427%0.268SS..Hα-helixtrans-63.2-42174.8-175.7-179.3-28.300111.9F371 Q391 Q392 L398 Q399F371-Q395 HydrophobicContact CD2-CB 3.96Å; F371-Q395 HydrophobicContact CE2-CB 3.94Å; F371-Q395 HydrophobicContact CE2-CG 4.2Å; Q391-Q395 PolarHBondContact O-N 2.85Å; Q392-Q395 PolarHBondContact O-N 3.48Å; Q395-L398 PolarHBondContact O-N 2.87Å; Q395-Q399 WeakPolarHBondContact O-CB 3.47Å; Q395-Q399 PolarHBondContact O-N 3.31Å
396L97.8Very high97.1Very high62 Ų6260.4 Ų60.433%0.32528%0.281SS..Hα-helixtrans-65.3-39.1175-69.4171.1000111.7L218 Q392 K393 Q399 H400L218-L396 HydrophobicContact CD1-CB 3.95Å; L218-L396 HydrophobicContact CD2-CB 3.79Å; Q392-L396 HydrophobicContact CG-CD1 4.49Å; Q392-L396 WeakPolarHBondContact O-CG 3.44Å; Q392-L396 PolarHBondContact O-N 3.46Å; K393-L396 PolarHBondContact O-N 3.15Å; L396-Q399 PolarHBondContact O-N 2.78Å; L396-H400 WeakPolarHBondContact O-CB 3.35Å; L396-H400 PolarHBondContact O-N 3.3Å
397A98.3Very high96.9Very high0 Ų059.8 Ų59.80%028%0.276CS..Hα-helixtrans-65.2-39.6173.400000112.3L218 L221 A222 L367 K393 I394 H400 V401L218-A397 HydrophobicContact CD2-CB 4.46Å; L221-A397 HydrophobicContact CD2-CB 4.41Å; A222-A397 HydrophobicContact CB-CB 4.41Å; L367-A397 HydrophobicContact CD2-CB 3.88Å; K393-A397 WeakPolarHBondContact O-CB 3.46Å; K393-A397 PolarHBondContact O-N 3.27Å; I394-A397 PolarHBondContact O-N 2.93Å; A397-H400 PolarHBondContact O-N 3.27Å; A397-V401 WeakPolarHBondContact O-CG2 3.4Å; A397-V401 PolarHBondContact O-N 2.86Å
398L98.3Very high96.6Very high1 Ų166 Ų661%0.00531%0.306CS..Hα-helixtrans-61.4-46.1171.8178.958.2000111.3L367 I394 Q395 H400 V401 L402 L412 L415L367-L398 HydrophobicContact CB-CB 4.04Å; L367-L398 HydrophobicContact CB-CD1 3.78Å; L367-L398 HydrophobicContact CB-CG 4.41Å; I394-L398 WeakPolarHBondContact O-CB 3.31Å; I394-L398 PolarHBondContact O-N 3.12Å; Q395-L398 PolarHBondContact O-N 2.87Å; L398-H400 PolarHBondContact O-N 3.48Å; L398-V401 PolarHBondContact O-N 3.46Å; L398-L402 HydrophobicContact CD1-CD1 4.15Å; L398-L402 HydrophobicContact CD1-CG 4.13Å; L398-L402 HydrophobicContact CG-CD1 4Å; L398-L402 HydrophobicContact CG-CG 4.43Å; L398-L402 WeakPolarHBondContact O-CB 3.41Å; L398-L402 VanDerWaalsContact O-CG 3.24Å; L398-L402 WeakPolarHBondContact O-CG 3.06Å; L398-L402 PolarHBondContact O-N 2.68Å; L398-L412 HydrophobicContact CD2-CD1 3.76Å; L398-L412 HydrophobicContact CG-CD1 4.06Å; L398-L415 HydrophobicContact CD1-CD1 4.47Å; L398-L415 HydrophobicContact CD2-CD1 4.27Å
399Q97.3Very high95.9Very high74 Ų7468.2 Ų68.235%0.34632%0.321SS..Hα-helixtrans-59.9-45.1177.1-174.5175.6-4.500111.9Q395 L396 L402 Q403 L412Q395-Q399 WeakPolarHBondContact O-CB 3.47Å; Q395-Q399 PolarHBondContact O-N 3.31Å; L396-Q399 PolarHBondContact O-N 2.78Å; Q399-L402 PolarHBondContact O-N 3.35Å; Q399-Q403 WeakPolarHBondContact O-CG 3.27Å; Q399-Q403 PolarHBondContact O-N 3.06Å; Q399-L412 HydrophobicContact CB-CD2 4.01Å; Q399-L412 HydrophobicContact CG-CD2 4.12Å
400H95.6Very high95.6Very high39 Ų3963.4 Ų63.418%0.18131%0.308CS..Hα-helixtrans-59.5-45.7175.3173.174.9000112.2E219 L396 A397 L398 Q403 K404E219-H400 IonicContact OE2-CD2 3.8Å; E219-H400 IonicContact OE2-CE1 2.82Å; E219-H400 IonicContact OE2-NE2 3.1Å; E219-H400 PolarHBondContact OE2-NE2 2.83Å; L396-H400 WeakPolarHBondContact O-CB 3.35Å; L396-H400 PolarHBondContact O-N 3.3Å; A397-H400 PolarHBondContact O-N 3.27Å; L398-H400 PolarHBondContact O-N 3.48Å; H400-Q403 PolarHBondContact O-N 3.14Å; H400-K404 VanDerWaalsContact O-CB 3.26Å; H400-K404 WeakPolarHBondContact O-CB 3.03Å; H400-K404 PolarHBondContact O-N 2.76Å
401V97.3Very high95.4Very high7 Ų763.1 Ų63.14%0.04231%0.306CS..Hα-helixtrans-65.6-40.4176.7169.10000112.2A222 D363 E364 L367 A397 L398 Q403 K404 N405A222-V401 HydrophobicContact CB-CG2 3.86Å; D363-V401 HydrophobicContact CB-CG1 3.98Å; E364-V401 HydrophobicContact CG-CG1 4.19Å; L367-V401 HydrophobicContact CD1-CB 3.89Å; L367-V401 HydrophobicContact CD1-CG1 4.31Å; L367-V401 HydrophobicContact CD1-CG2 3.55Å; A397-V401 WeakPolarHBondContact O-CG2 3.4Å; A397-V401 PolarHBondContact O-N 2.86Å; L398-V401 PolarHBondContact O-N 3.46Å; V401-Q403 PolarHBondContact O-N 2.9Å; V401-K404 PolarHBondContact O-N 3.19Å; V401-N405 WeakPolarHBondContact O-CB 3.39Å; V401-N405 VanDerWaalsContact O-CG 3.23Å; V401-N405 PolarHBondContact O-N 2.87Å; V401-N405 PolarHBondContact O-ND2 3.03Å
402L96.9Very high95.3Very high9 Ų962.6 Ų62.65%0.04730%0.304CS..Hα-helixtrans-61.5-42.9174.8-70170000111.5E364 L398 Q399 N405 H406 R407 I411 L412 L415E364-L402 HydrophobicContact CG-CD2 3.83Å; L398-L402 HydrophobicContact CD1-CD1 4.15Å; L398-L402 HydrophobicContact CD1-CG 4.13Å; L398-L402 HydrophobicContact CG-CD1 4Å; L398-L402 HydrophobicContact CG-CG 4.43Å; L398-L402 WeakPolarHBondContact O-CB 3.41Å; L398-L402 VanDerWaalsContact O-CG 3.24Å; L398-L402 WeakPolarHBondContact O-CG 3.06Å; L398-L402 PolarHBondContact O-N 2.68Å; Q399-L402 PolarHBondContact O-N 3.35Å; L402-N405 CarbonylContact O-C 3.58Å; L402-N405 PolarHBondContact O-N 3.49Å; L402-H406 PolarHBondContact O-N 3.37Å; L402-R407 HydrophobicContact CB-CB 4.15Å; L402-R407 HydrophobicContact CB-CG 4.17Å; L402-R407 HydrophobicContact CD2-CB 4.16Å; L402-R407 HydrophobicContact CD2-CG 3.76Å; L402-R407 VanDerWaalsContact O-CB 3.26Å; L402-R407 WeakPolarHBondContact O-CB 3.48Å; L402-R407 WeakPolarHBondContact O-CG 3.09Å; L402-R407 PolarHBondContact O-N 3.39Å; L402-I411 HydrophobicContact CD1-CG2 4.39Å; L402-I411 HydrophobicContact CD2-CB 4.48Å; L402-I411 HydrophobicContact CD2-CG2 3.69Å; L402-L412 HydrophobicContact CD1-CB 3.82Å; L402-L412 HydrophobicContact CD1-CD1 4.12Å; L402-L415 HydrophobicContact CD1-CD1 4.45Å
403Q94.6Very high95.3Very high106 Ų10661.2 Ų61.250%0.49530%0.304SS..Hα-helixtrans-65.9-43.3176.3-72.9172.7-1700112.1Q399 H400 V401 N405 H406Q399-Q403 WeakPolarHBondContact O-CG 3.27Å; Q399-Q403 PolarHBondContact O-N 3.06Å; H400-Q403 PolarHBondContact O-N 3.14Å; V401-Q403 PolarHBondContact O-N 2.9Å; Q403-N405 VanDerWaalsContact C-N 3.26Å; Q403-N405 PolarHBondContact O-N 2.87Å; Q403-H406 PolarHBondContact O-N 3.15Å
404K94.1Very high95.2Very high107 Ų10761.8 Ų61.847%0.46531%0.307SS..Hα-helixtrans-60.7-33.2175-175.2179.9-176.71780112.7E219 H400 V401 H406E219-K404 IonicContact OE1-NZ 2.83Å; E219-K404 PolarHBondContact OE1-NZ 2.88Å; E219-K404 IonicContact OE2-NZ 3.25Å; E219-K404 PolarHBondContact OE2-NZ 3.35Å; H400-K404 VanDerWaalsContact O-CB 3.26Å; H400-K404 WeakPolarHBondContact O-CB 3.03Å; H400-K404 PolarHBondContact O-N 2.76Å; V401-K404 PolarHBondContact O-N 3.19Å; K404-H406 VanDerWaalsContact C-N 3.28Å; K404-H406 PolarHBondContact O-N 3.22Å
405N95.1Very high95.1Very high62 Ų6261.8 Ų61.833%0.33231%0.307SS..THydrogen-bonded Turntrans-86.49.8174.9-66.6-11.5000113.4E364 V401 L402 Q403 R407E364-N405 PolarHBondContact OE1-ND2 3.27Å; V401-N405 WeakPolarHBondContact O-CB 3.39Å; V401-N405 VanDerWaalsContact O-CG 3.23Å; V401-N405 PolarHBondContact O-N 2.87Å; V401-N405 PolarHBondContact O-ND2 3.03Å; L402-N405 CarbonylContact O-C 3.58Å; L402-N405 PolarHBondContact O-N 3.49Å; Q403-N405 VanDerWaalsContact C-N 3.26Å; Q403-N405 PolarHBondContact O-N 2.87Å; N405-R407 HydrophobicContact CB-CG 3.89Å; N405-R407 PolarHBondContact O-N 2.75Å
406H94.5Very high95Very high177 Ų17761.6 Ų61.682%0.81931%0.307SS*.THydrogen-bonded Turntrans53.435.9-179.2-54.2-62.6000114.3L402 Q403 K404L402-H406 PolarHBondContact O-N 3.37Å; Q403-H406 PolarHBondContact O-N 3.15Å; K404-H406 VanDerWaalsContact C-N 3.28Å; K404-H406 PolarHBondContact O-N 3.22Å
407R94.1Very high95Very high57 Ų5762.2 Ų62.222%0.21532%0.316CS..  trans-74.1149.4178.6-55.6-67.8-58.1-138.314.8110.7M358 H359 E364 L402 N405 I411M358-R407 PolarHBondContact O-NH2 3.11Å; H359-R407 PolarHBondContact O-NH1 2.9Å; E364-R407 WeakPolarHBondContact OE1-CD 3.13Å; E364-R407 IonicContact OE1-NH1 2.69Å; E364-R407 IonicContact OE2-CZ 2.91Å; E364-R407 IonicContact OE2-NH1 3.95Å; E364-R407 PolarHBondContact OE2-NH1 2.83Å; L402-R407 HydrophobicContact CB-CB 4.15Å; L402-R407 HydrophobicContact CB-CG 4.17Å; L402-R407 HydrophobicContact CD2-CB 4.16Å; L402-R407 HydrophobicContact CD2-CG 3.76Å; L402-R407 VanDerWaalsContact O-CB 3.26Å; L402-R407 WeakPolarHBondContact O-CB 3.48Å; L402-R407 WeakPolarHBondContact O-CG 3.09Å; L402-R407 PolarHBondContact O-N 3.39Å; N405-R407 HydrophobicContact CB-CG 3.89Å; N405-R407 PolarHBondContact O-N 2.75Å; R407-I411 HydrophobicContact CB-CG1 4.32Å
408E90.6Very high94.9Very high132 Ų13264.2 Ų64.262%0.61733%0.325SS*.  trans-57.6139.8170-55173165.900111.2G410 I411 K414E408-G410 PolarHBondContact O-N 3.15Å; E408-I411 HydrophobicContact CB-CG1 4.23Å; E408-I411 WeakPolarHBondContact O-CB 3.38Å; E408-I411 WeakPolarHBondContact O-CG1 3.25Å; E408-I411 PolarHBondContact O-N 3.19Å; E408-K414 IonicContact OE2-NZ 3.07Å; E408-K414 PolarHBondContact OE2-NZ 2.95Å; E408-K414 VanDerWaalsContact OE2-NZ 3.17Å
409D82.9Confident94.9Very high146 Ų14665.3 Ų65.378%0.78133%0.332SS*.THydrogen-bonded Turntrans-52.8-32.4-179.8-64.1-44.1000113.4I411D409-I411 VanDerWaalsContact C-N 3.27Å; D409-I411 PolarHBondContact O-N 3.04Å
410G92.1Very high94.8Very high30 Ų3065.7 Ų65.731%0.30934%0.342SS..Hα-helixtrans-70.2-11.8179.200000115.6E408 T413 K414E408-G410 PolarHBondContact O-N 3.15Å; G410-T413 PolarHBondContact O-N 3.37Å; G410-K414 WeakPolarHBondContact O-CB 3.2Å; G410-K414 VanDerWaalsContact O-CG 3.24Å; G410-K414 WeakPolarHBondContact O-CG 3.34Å; G410-K414 PolarHBondContact O-N 3.17Å
411I94.7Very high95Very high12 Ų1266.4 Ų66.46%0.06235%0.35CS..Hα-helixtrans-65-40.4-177.8-66.1-67.7000111.7M358 L402 R407 E408 D409 T413 K414 L415M358-I411 HydrophobicContact CE-CD1 4.43Å; M358-I411 HydrophobicContact CE-CG2 4.23Å; L402-I411 HydrophobicContact CD1-CG2 4.39Å; L402-I411 HydrophobicContact CD2-CB 4.48Å; L402-I411 HydrophobicContact CD2-CG2 3.69Å; R407-I411 HydrophobicContact CB-CG1 4.32Å; E408-I411 HydrophobicContact CB-CG1 4.23Å; E408-I411 WeakPolarHBondContact O-CB 3.38Å; E408-I411 WeakPolarHBondContact O-CG1 3.25Å; E408-I411 PolarHBondContact O-N 3.19Å; D409-I411 VanDerWaalsContact C-N 3.27Å; D409-I411 PolarHBondContact O-N 3.04Å; I411-T413 PolarHBondContact O-N 3.1Å; I411-K414 HydrophobicContact CD1-CD 4.13Å; I411-K414 PolarHBondContact O-N 3.31Å; I411-L415 HydrophobicContact CG2-CD1 4.17Å; I411-L415 HydrophobicContact CG2-CG 4.4Å; I411-L415 WeakPolarHBondContact O-CG 3.35Å; I411-L415 PolarHBondContact O-N 2.85Å
412L95.9Very high95Very high22 Ų2266.1 Ų66.112%0.11535%0.348CS..Hα-helixtrans-60.7-46.8178.2-179.559.5000111.2L398 Q399 L402 L415 I416L398-L412 HydrophobicContact CD2-CD1 3.76Å; L398-L412 HydrophobicContact CG-CD1 4.06Å; Q399-L412 HydrophobicContact CB-CD2 4.01Å; Q399-L412 HydrophobicContact CG-CD2 4.12Å; L402-L412 HydrophobicContact CD1-CB 3.82Å; L402-L412 HydrophobicContact CD1-CD1 4.12Å; L412-L415 WeakPolarHBondContact O-CB 3.48Å; L412-L415 PolarHBondContact O-N 2.95Å; L412-I416 HydrophobicContact CD1-CD1 4.05Å; L412-I416 HydrophobicContact CD1-CG1 4.4Å; L412-I416 HydrophobicContact CG-CD1 3.98Å; L412-I416 WeakPolarHBondContact O-CG1 3.38Å; L412-I416 PolarHBondContact O-N 2.97Å
413T96.2Very high95Very high91 Ų9168.4 Ų68.456%0.55836%0.356SS*.Hα-helixtrans-62.4-44.3176.2-49.50000111.5G410 I411 L415 I416 C417G410-T413 PolarHBondContact O-N 3.37Å; I411-T413 PolarHBondContact O-N 3.1Å; T413-L415 VanDerWaalsContact C-N 3.3Å; T413-L415 PolarHBondContact O-N 3.19Å; T413-I416 PolarHBondContact O-N 3.35Å; T413-C417 PolarHBondContact O-N 3.2Å; T413-C417 PolarHBondContact O-SG 2.7Å
414K96.5Very high95.2Very high99 Ų9965.9 Ų65.943%0.4335%0.353SS..Hα-helixtrans-57-42.5175.2-72.2163.6-176.61710111.3M358 E408 G410 I411 K418M358-K414 HydrophobicContact CE-CB 3.62Å; E408-K414 IonicContact OE2-NZ 3.07Å; E408-K414 PolarHBondContact OE2-NZ 2.95Å; E408-K414 VanDerWaalsContact OE2-NZ 3.17Å; G410-K414 WeakPolarHBondContact O-CB 3.2Å; G410-K414 VanDerWaalsContact O-CG 3.24Å; G410-K414 WeakPolarHBondContact O-CG 3.34Å; G410-K414 PolarHBondContact O-N 3.17Å; I411-K414 HydrophobicContact CD1-CD 4.13Å; I411-K414 PolarHBondContact O-N 3.31Å; K414-K418 PolarHBondContact O-N 2.99Å
415L97.1Very high95.4Very high0 Ų060.9 Ų60.90%033%0.332CS..Hα-helixtrans-65.4-49.7176.2-73.3173.8000112.3L355 M358 L360 F368 L398 L402 I411 L412 T413 C417 K418L355-L415 HydrophobicContact CD1-CD2 4.29Å; M358-L415 HydrophobicContact CE-CD2 3.71Å; M358-L415 HydrophobicContact CE-CG 3.79Å; M358-L415 HydrophobicContact SD-CD2 4.11Å; L360-L415 HydrophobicContact CD1-CD2 3.77Å; L360-L415 HydrophobicContact CD2-CD1 4.45Å; L360-L415 HydrophobicContact CD2-CD2 4.13Å; F368-L415 HydrophobicContact CD1-CD2 4.11Å; F368-L415 HydrophobicContact CD2-CB 4Å; F368-L415 HydrophobicContact CD2-CD2 4.39Å; F368-L415 HydrophobicContact CE1-CD2 4.27Å; F368-L415 HydrophobicContact CE2-CB 3.91Å; F368-L415 VanDerWaalsContact CE2-O 3.26Å; F368-L415 WeakPolarHBondContact CE2-O 3.34Å; F368-L415 HydrophobicContact CG-CD2 4.18Å; F368-L415 HydrophobicContact CZ-CB 4.43Å; F368-L415 HydrophobicContact CZ-CD2 4.5Å; F368-L415 VanDerWaalsContact CZ-O 3.24Å; F368-L415 WeakPolarHBondContact CZ-O 3.49Å; L398-L415 HydrophobicContact CD1-CD1 4.47Å; L398-L415 HydrophobicContact CD2-CD1 4.27Å; L402-L415 HydrophobicContact CD1-CD1 4.45Å; I411-L415 HydrophobicContact CG2-CD1 4.17Å; I411-L415 HydrophobicContact CG2-CG 4.4Å; I411-L415 WeakPolarHBondContact O-CG 3.35Å; I411-L415 PolarHBondContact O-N 2.85Å; L412-L415 WeakPolarHBondContact O-CB 3.48Å; L412-L415 PolarHBondContact O-N 2.95Å; T413-L415 VanDerWaalsContact C-N 3.3Å; T413-L415 PolarHBondContact O-N 3.19Å; L415-C417 VanDerWaalsContact C-N 3.26Å; L415-C417 PolarHBondContact O-N 2.71Å; L415-K418 WeakPolarHBondContact O-CB 3.31Å; L415-K418 PolarHBondContact O-N 2.66Å
416I95.9Very high95.5Very high60 Ų6058.7 Ų58.731%0.30832%0.321SS..Hα-helixtrans-58.3-40.5179-67.6168.7000110.7F371 L412 T413 K418 V419F371-I416 HydrophobicContact CE1-CG1 4.01Å; F371-I416 HydrophobicContact CZ-CG1 4.08Å; L412-I416 HydrophobicContact CD1-CD1 4.05Å; L412-I416 HydrophobicContact CD1-CG1 4.4Å; L412-I416 HydrophobicContact CG-CD1 3.98Å; L412-I416 WeakPolarHBondContact O-CG1 3.38Å; L412-I416 PolarHBondContact O-N 2.97Å; T413-I416 PolarHBondContact O-N 3.35Å; I416-K418 VanDerWaalsContact C-N 3.26Å; I416-K418 PolarHBondContact O-N 3.28Å; I416-V419 WeakPolarHBondContact O-CB 3.41Å; I416-V419 VanDerWaalsContact O-CG2 3.31Å; I416-V419 WeakPolarHBondContact O-CG2 3.3Å; I416-V419 PolarHBondContact O-N 2.68Å; I416-V419 VanDerWaalsContact O-N 3.08Å
417C96.3Very high95.6Very high75 Ų7554.1 Ų54.151%0.50731%0.309SS..Hα-helixtrans-59.3-32.3174.8-71.80000113.4T413 L415 V419 S420T413-C417 PolarHBondContact O-N 3.2Å; T413-C417 PolarHBondContact O-SG 2.7Å; L415-C417 VanDerWaalsContact C-N 3.26Å; L415-C417 PolarHBondContact O-N 2.71Å; C417-V419 PolarHBondContact O-N 2.77Å; C417-S420 PolarHBondContact O-N 2.9Å; C417-S420 PolarHBondContact O-OG 3.45Å
418K97.3Very high95.8Very high42 Ų4253.8 Ų53.818%0.18331%0.308CS..Hα-helixtrans-66-18.1176.8-64.6-56.5-174.5-176.40113.5F351 F368 K414 L415 I416 S420 T421 L422F351-K418 HydrophobicContact CE2-CB 4.2Å; F351-K418 HydrophobicContact CE2-CD 4.47Å; F368-K418 HydrophobicContact CZ-CB 4.17Å; K414-K418 PolarHBondContact O-N 2.99Å; L415-K418 WeakPolarHBondContact O-CB 3.31Å; L415-K418 PolarHBondContact O-N 2.66Å; I416-K418 VanDerWaalsContact C-N 3.26Å; I416-K418 PolarHBondContact O-N 3.28Å; K418-S420 VanDerWaalsContact C-N 3.27Å; K418-S420 PolarHBondContact O-N 2.85Å; K418-T421 WeakPolarHBondContact O-CB 3.38Å; K418-T421 PolarHBondContact O-N 2.89Å; K418-T421 VanDerWaalsContact O-N 3.15Å; K418-L422 WeakPolarHBondContact O-CG 3.39Å; K418-L422 PolarHBondContact O-N 2.88Å
419V97.4Very high96.1Very high25 Ų2547.9 Ų47.915%0.15228%0.28CS..Hα-helixtrans-59-40.8174.3-179.70000110.7F368 F371 V372 I416 C417 T421 L422 R423F368-V419 HydrophobicContact CE2-CG2 4.17Å; F368-V419 HydrophobicContact CZ-CG2 4.35Å; F371-V419 HydrophobicContact CD1-CG2 4.49Å; F371-V419 HydrophobicContact CE1-CG2 4.03Å; V372-V419 HydrophobicContact CG2-CG2 4.12Å; I416-V419 WeakPolarHBondContact O-CB 3.41Å; I416-V419 VanDerWaalsContact O-CG2 3.31Å; I416-V419 WeakPolarHBondContact O-CG2 3.3Å; I416-V419 PolarHBondContact O-N 2.68Å; I416-V419 VanDerWaalsContact O-N 3.08Å; C417-V419 PolarHBondContact O-N 2.77Å; V419-T421 VanDerWaalsContact C-N 3.31Å; V419-T421 PolarHBondContact O-N 3.44Å; V419-L422 WeakPolarHBondContact O-CB 3.21Å; V419-L422 PolarHBondContact O-N 3.25Å; V419-R423 WeakPolarHBondContact O-CG 3.49Å; V419-R423 PolarHBondContact O-N 3.37Å
420S96.7Very high96.8Very high81 Ų8143.8 Ų43.857%0.56626%0.26SS*.Hα-helixtrans-60-40.3176.266.90000112.8C417 K418 R423 A424C417-S420 PolarHBondContact O-N 2.9Å; C417-S420 PolarHBondContact O-OG 3.45Å; K418-S420 VanDerWaalsContact C-N 3.27Å; K418-S420 PolarHBondContact O-N 2.85Å; S420-R423 PolarHBondContact O-N 3.48Å; S420-A424 PolarHBondContact O-N 3.38Å; S420-A424 VanDerWaalsContact O-N 3.07Å
421T98Very high97Very high55 Ų5547.6 Ų47.634%0.33727%0.27SS..Hα-helixtrans-66.7-40.6175.9-40.30000111.7F351 K418 V419 A424 L425F351-T421 HydrophobicContact CD2-CG2 3.83Å; F351-T421 HydrophobicContact CE2-CG2 4.49Å; K418-T421 WeakPolarHBondContact O-CB 3.38Å; K418-T421 PolarHBondContact O-N 2.89Å; K418-T421 VanDerWaalsContact O-N 3.15Å; V419-T421 VanDerWaalsContact C-N 3.31Å; V419-T421 PolarHBondContact O-N 3.44Å; T421-A424 PolarHBondContact O-N 2.94Å; T421-L425 WeakPolarHBondContact O-CG 3.19Å; T421-L425 PolarHBondContact O-N 3Å
422L98.3Very high97.1Very high0 Ų048.8 Ų48.80%028%0.275CS..Hα-helixtrans-61.4-43.1175.1-74.1167.8000112E307 F310 V311 F351 F368 V372 K418 V419 L425 C426E307-L422 HydrophobicContact CB-CB 4.17Å; E307-L422 HydrophobicContact CB-CD1 4.49Å; E307-L422 HydrophobicContact CB-CD2 4.43Å; E307-L422 HydrophobicContact CG-CB 4.1Å; F310-L422 HydrophobicContact CB-CD2 3.64Å; F310-L422 HydrophobicContact CD2-CD2 4.47Å; V311-L422 HydrophobicContact CG2-CD1 3.57Å; V311-L422 HydrophobicContact CG2-CD2 4.14Å; V311-L422 HydrophobicContact CG2-CG 4.5Å; F351-L422 HydrophobicContact CE1-CD2 3.73Å; F351-L422 HydrophobicContact CE2-CD2 3.84Å; F351-L422 HydrophobicContact CE2-CG 3.81Å; F351-L422 HydrophobicContact CZ-CD1 4.18Å; F351-L422 HydrophobicContact CZ-CD2 3.34Å; F351-L422 HydrophobicContact CZ-CG 3.66Å; F368-L422 HydrophobicContact CE1-CD1 4.38Å; F368-L422 HydrophobicContact CZ-CD1 4.33Å; V372-L422 HydrophobicContact CG1-CD1 4.18Å; V372-L422 HydrophobicContact CG2-CD1 3.9Å; K418-L422 WeakPolarHBondContact O-CG 3.39Å; K418-L422 PolarHBondContact O-N 2.88Å; V419-L422 WeakPolarHBondContact O-CB 3.21Å; V419-L422 PolarHBondContact O-N 3.25Å; L422-L425 PolarHBondContact O-N 2.98Å; L422-C426 PolarHBondContact O-N 3.22Å; L422-C426 PolarHBondContact O-SG 3.32Å
423R97.4Very high97.1Very high57 Ų5748.3 Ų48.322%0.21527%0.272CS..Hα-helixtrans-59.6-48.4173.4-62-54.1175.582.22.6111.2E307 S375 D377 R378 V419 S420 L425 C426 S427E307-R423 WeakPolarHBondContact OE1-CD 3.4Å; E307-R423 IonicContact OE1-NE 3.33Å; E307-R423 PolarHBondContact OE1-NE 3.04Å; E307-R423 VanDerWaalsContact OE1-NE 3.14Å; E307-R423 IonicContact OE2-NE 3.85Å; E307-R423 PolarHBondContact OE2-NE 2.82Å; S375-R423 PolarHBondContact OG-NH2 2.79Å; D377-R423 IonicContact OD1-CZ 2.91Å; D377-R423 IonicContact OD1-NH1 2.67Å; D377-R423 IonicContact OD1-NH2 3.64Å; D377-R423 PolarHBondContact OD1-NH2 3.46Å; D377-R423 IonicContact OD2-CZ 3.87Å; D377-R423 IonicContact OD2-NH1 2.71Å; D377-R423 PolarHBondContact OD2-NH1 3.1Å; D377-R423 IonicContact OD2-NH2 2.8Å; D377-R423 PolarHBondContact OD2-NH2 3.38Å; D377-R423 VanDerWaalsContact OD2-NH2 3.1Å; R378-R423 VanDerWaalsContact CZ-NH2 3.29Å; V419-R423 WeakPolarHBondContact O-CG 3.49Å; V419-R423 PolarHBondContact O-N 3.37Å; S420-R423 PolarHBondContact O-N 3.48Å; R423-L425 PolarHBondContact O-N 2.93Å; R423-C426 PolarHBondContact O-N 2.74Å; R423-C426 VanDerWaalsContact O-N 3.17Å; R423-S427 PolarHBondContact O-N 2.92Å; R423-S427 PolarHBondContact O-OG 3.02Å
424A98.1Very high97.1Very high54 Ų5448.1 Ų48.145%0.44627%0.271SS..Hα-helixtrans-61.2-38.7178.900000113.4S420 T421 R428S420-A424 PolarHBondContact O-N 3.38Å; S420-A424 VanDerWaalsContact O-N 3.07Å; T421-A424 PolarHBondContact O-N 2.94Å; A424-R428 PolarHBondContact O-N 3.43Å; A424-R428 VanDerWaalsContact O-N 3.11Å
425L98.4Very high97.1Very high2 Ų245.9 Ų45.91%0.0127%0.271CS..Hα-helixtrans-62.4-45.6173-74171.9000111.9F310 L344 V348 F351 T421 L422 R423 R428 H429F310-L425 HydrophobicContact CD2-CB 4.09Å; F310-L425 HydrophobicContact CD2-CD1 4.24Å; F310-L425 HydrophobicContact CE2-CB 3.8Å; F310-L425 HydrophobicContact CG-CD1 4.45Å; L344-L425 HydrophobicContact CD1-CD2 4.49Å; V348-L425 HydrophobicContact CG2-CD2 3.96Å; F351-L425 HydrophobicContact CB-CD1 3.72Å; F351-L425 HydrophobicContact CD1-CD1 4.21Å; F351-L425 HydrophobicContact CD2-CD1 4.01Å; F351-L425 HydrophobicContact CG-CD1 3.7Å; T421-L425 WeakPolarHBondContact O-CG 3.19Å; T421-L425 PolarHBondContact O-N 3Å; L422-L425 PolarHBondContact O-N 2.98Å; R423-L425 PolarHBondContact O-N 2.93Å; L425-R428 PolarHBondContact O-N 3.14Å; L425-H429 WeakPolarHBondContact O-CB 3.41Å; L425-H429 PolarHBondContact O-N 2.93Å
426C97.6Very high97.1Very high15 Ų1545.9 Ų45.910%0.10127%0.271CS..Hα-helixtrans-68.7-38.7-179.8-63.50000112.2L306 E307 L422 R423 H429 T430L306-C426 HydrophobicContact CD2-CB 4.31Å; E307-C426 WeakPolarHBondContact CG-SG 3.41Å; L422-C426 PolarHBondContact O-N 3.22Å; L422-C426 PolarHBondContact O-SG 3.32Å; R423-C426 PolarHBondContact O-N 2.74Å; R423-C426 VanDerWaalsContact O-N 3.17Å; C426-H429 PolarHBondContact O-N 3.29Å; C426-T430 PolarHBondContact O-N 3.44Å; C426-T430 PolarHBondContact O-OG1 3Å
427S96.6Very high97Very high82 Ų8246.3 Ų46.357%0.57327%0.271SS*.Hα-helixtrans-58.8-47.2172.7-65.70000111.8R423 T430 E431R423-S427 PolarHBondContact O-N 2.92Å; R423-S427 PolarHBondContact O-OG 3.02Å; S427-T430 WeakPolarHBondContact O-CB 3.4Å; S427-T430 PolarHBondContact O-N 3.21Å; S427-E431 PolarHBondContact O-N 3.5Å
428R97.6Very high97Very high50 Ų5046.7 Ų46.719%0.18928%0.279CS..Hα-helixtrans-69.8-36.4178-179172.430.8174.9-10112.8D343 L344 S347 A424 L425 T430 E431 K432D343-R428 VanDerWaalsContact C-NH1 3.31Å; D343-R428 PolarHBondContact O-NH1 3.19Å; D343-R428 VanDerWaalsContact OD2-CD 3.24Å; D343-R428 WeakPolarHBondContact OD2-CD 3.44Å; L344-R428 HydrophobicContact CB-CG 4.22Å; L344-R428 HydrophobicContact CD1-CB 4.24Å; L344-R428 HydrophobicContact CD1-CG 4.04Å; S347-R428 PolarHBondContact OG-NH1 2.88Å; S347-R428 PolarHBondContact OG-NH2 3.15Å; A424-R428 PolarHBondContact O-N 3.43Å; A424-R428 VanDerWaalsContact O-N 3.11Å; L425-R428 PolarHBondContact O-N 3.14Å; R428-T430 VanDerWaalsContact C-N 3.27Å; R428-T430 PolarHBondContact O-N 2.87Å; R428-E431 WeakPolarHBondContact O-CB 3.29Å; R428-E431 PolarHBondContact O-N 2.94Å; R428-K432 HydrophobicContact CG-CG 4.37Å; R428-K432 WeakPolarHBondContact O-CG 3.35Å; R428-K432 PolarHBondContact O-N 3.33Å
429H97.7Very high96.9Very high8 Ų849.7 Ų49.74%0.03730%0.296CS..Hα-helixtrans-55-46.5169.7166.7-85.3000110.9L306 L344 L425 C426 K432 L433 Y452 F456L306-H429 HydrophobicContact CD2-CB 3.95Å; L344-H429 HydrophobicContact CD2-CB 4.24Å; L425-H429 WeakPolarHBondContact O-CB 3.41Å; L425-H429 PolarHBondContact O-N 2.93Å; C426-H429 PolarHBondContact O-N 3.29Å; H429-K432 PolarHBondContact O-N 3.02Å; H429-L433 VanDerWaalsContact O-CB 3.28Å; H429-L433 WeakPolarHBondContact O-CB 3.45Å; H429-L433 PolarHBondContact O-N 3.11Å; H429-Y452 AromaticContact CE1-CZ 3.91Å; H429-Y452 PolarHBondContact CE1-OH 3.06Å; H429-Y452 AromaticContact NE2-CZ 3.79Å; H429-Y452 PolarHBondContact NE2-OH 3.04Å; H429-F456 AromaticContact CE1-CD1 3.86Å; H429-F456 AromaticContact CE1-CE1 3.98Å; H429-F456 AromaticContact CE1-CG 3.96Å
430T96.2Very high96.8Very high60 Ų6051.7 Ų51.737%0.36830%0.301SS..Hα-helixtrans-62.8-43.3176.6-56.60000112C426 S427 R428 L433 T434C426-T430 PolarHBondContact O-N 3.44Å; C426-T430 PolarHBondContact O-OG1 3Å; S427-T430 WeakPolarHBondContact O-CB 3.4Å; S427-T430 PolarHBondContact O-N 3.21Å; R428-T430 VanDerWaalsContact C-N 3.27Å; R428-T430 PolarHBondContact O-N 2.87Å; T430-L433 PolarHBondContact O-N 3.02Å; T430-T434 WeakPolarHBondContact O-CB 3.49Å; T430-T434 PolarHBondContact O-N 3.32Å; T430-T434 PolarHBondContact O-OG1 3.44Å; T430-T434 VanDerWaalsContact O-OG1 3.05Å
431E96.7Very high96.6Very high110 Ų11050.3 Ų50.351%0.51429%0.291SS..Hα-helixtrans-56-52.3173.7-178-151.6125.900112.1S427 R428 L433 T434 A435S427-E431 PolarHBondContact O-N 3.5Å; R428-E431 WeakPolarHBondContact O-CB 3.29Å; R428-E431 PolarHBondContact O-N 2.94Å; E431-L433 VanDerWaalsContact C-N 3.35Å; E431-L433 PolarHBondContact O-N 3.3Å; E431-T434 PolarHBondContact O-N 2.98Å; E431-A435 PolarHBondContact O-N 3.41Å
432K97.4Very high96.4Very high37 Ų3752.4 Ų52.416%0.16130%0.3CS..Hα-helixtrans-65.6-37.7-179.9-57.4-47-179.6-161.40111.9W265 C341 D343 L344 R428 H429 A435 F436W265-K432 HydrophobicContact CH2-CB 3.84Å; W265-K432 HydrophobicContact CZ2-CB 4.01Å; C341-K432 HydrophobicContact CB-CB 4.35Å; C341-K432 HydrophobicContact CB-CD 4.29Å; C341-K432 HydrophobicContact CB-CG 3.9Å; D343-K432 VanDerWaalsContact CG-CE 3.48Å; D343-K432 WeakPolarHBondContact OD1-CE 3.17Å; D343-K432 IonicContact OD1-NZ 2.72Å; D343-K432 PolarHBondContact OD1-NZ 2.95Å; D343-K432 WeakPolarHBondContact OD2-CE 3.33Å; D343-K432 IonicContact OD2-NZ 2.87Å; D343-K432 PolarHBondContact OD2-NZ 3.22Å; L344-K432 HydrophobicContact CB-CG 4.4Å; L344-K432 HydrophobicContact CD2-CB 4.44Å; L344-K432 HydrophobicContact CD2-CG 4.1Å; R428-K432 HydrophobicContact CG-CG 4.37Å; R428-K432 WeakPolarHBondContact O-CG 3.35Å; R428-K432 PolarHBondContact O-N 3.33Å; H429-K432 PolarHBondContact O-N 3.02Å; K432-A435 PolarHBondContact O-N 3.49Å; K432-F436 WeakPolarHBondContact O-CB 3.43Å; K432-F436 PolarHBondContact O-N 3.21Å
433L96.5Very high96.1Very high12 Ų1254.3 Ų54.36%0.06331%0.309CS..Hα-helixtrans-64.1-41.1174.4175.962.7000111.7W265 H429 T430 E431 F436 K437 F448 Y452 F456W265-L433 HydrophobicContact CE3-CD1 4.48Å; W265-L433 HydrophobicContact CH2-CB 4.47Å; W265-L433 HydrophobicContact CZ3-CB 4.22Å; W265-L433 HydrophobicContact CZ3-CD1 4.12Å; H429-L433 VanDerWaalsContact O-CB 3.28Å; H429-L433 WeakPolarHBondContact O-CB 3.45Å; H429-L433 PolarHBondContact O-N 3.11Å; T430-L433 PolarHBondContact O-N 3.02Å; E431-L433 VanDerWaalsContact C-N 3.35Å; E431-L433 PolarHBondContact O-N 3.3Å; L433-F436 PolarHBondContact O-N 2.95Å; L433-K437 WeakPolarHBondContact O-CB 3.18Å; L433-K437 PolarHBondContact O-N 3.08Å; L433-F448 HydrophobicContact CD1-CE2 3.77Å; L433-Y452 HydrophobicContact CD1-CE1 3.84Å; L433-Y452 HydrophobicContact CD2-CE1 3.67Å; L433-Y452 HydrophobicContact CG-CE1 4.42Å; L433-F456 HydrophobicContact CD2-CB 3.47Å; L433-F456 VanDerWaalsContact CD2-CB 3.47Å; L433-F456 HydrophobicContact CD2-CG 4.35Å
434T96.1Very high95.8Very high87 Ų8752.5 Ų52.553%0.53431%0.305SS..Hα-helixtrans-64.3-44.5176.3-65.80000111.1T430 E431 F436 K437 A438T430-T434 WeakPolarHBondContact O-CB 3.49Å; T430-T434 PolarHBondContact O-N 3.32Å; T430-T434 PolarHBondContact O-OG1 3.44Å; T430-T434 VanDerWaalsContact O-OG1 3.05Å; E431-T434 PolarHBondContact O-N 2.98Å; T434-F436 VanDerWaalsContact C-N 3.33Å; T434-F436 PolarHBondContact O-N 3.34Å; T434-K437 PolarHBondContact O-N 3.03Å; T434-A438 PolarHBondContact O-N 3.07Å
435A95.9Very high95.4Very high52 Ų5257.5 Ų57.543%0.4331%0.312SS..Hα-helixtrans-61.3-39.617400000112.3E431 K432E431-A435 PolarHBondContact O-N 3.41Å; K432-A435 PolarHBondContact O-N 3.49Å
436F96.3Very high95Very high0 Ų060.7 Ų60.70%034%0.339CS..Hα-helixtrans-66.8-45.8174.2179.1-94.2000112.4R261 E262 W265 K432 L433 T434 A438 I439 Y440 I443 V444 F448R261-F436 HydrophobicContact CG-CD2 4.49Å; R261-F436 HydrophobicContact CG-CE2 4.35Å; E262-F436 HydrophobicContact CB-CE2 4.15Å; E262-F436 HydrophobicContact CB-CZ 3.9Å; W265-F436 HydrophobicContact CB-CD1 4.44Å; W265-F436 HydrophobicContact CB-CD2 4.22Å; W265-F436 HydrophobicContact CB-CE1 4.03Å; W265-F436 HydrophobicContact CB-CE2 3.79Å; W265-F436 HydrophobicContact CB-CZ 3.71Å; W265-F436 AromaticContact CD1-CD2 3.52Å; W265-F436 AromaticContact CD1-CE2 3.67Å; W265-F436 HydrophobicContact CD2-CB 4.28Å; W265-F436 HydrophobicContact CD2-CD1 4.24Å; W265-F436 AromaticContact CD2-CD2 3.99Å; W265-F436 HydrophobicContact CD2-CD2 3.99Å; W265-F436 HydrophobicContact CD2-CE2 4.46Å; W265-F436 AromaticContact CD2-CG 3.88Å; W265-F436 HydrophobicContact CD2-CG 3.88Å; W265-F436 HydrophobicContact CE3-CD1 4.4Å; W265-F436 HydrophobicContact CE3-CG 4.36Å; W265-F436 HydrophobicContact CG-CD1 4.26Å; W265-F436 AromaticContact CG-CD2 3.63Å; W265-F436 HydrophobicContact CG-CD2 3.63Å; W265-F436 HydrophobicContact CG-CE1 4.31Å; W265-F436 AromaticContact CG-CE2 3.68Å; W265-F436 HydrophobicContact CG-CE2 3.68Å; W265-F436 AromaticContact CG-CG 3.95Å; W265-F436 HydrophobicContact CG-CG 3.95Å; W265-F436 HydrophobicContact CG-CZ 4.04Å; W265-F436 HydrophobicContact CZ2-CB 4.3Å; W265-F436 AromaticContact NE1-CD2 3.78Å; K432-F436 WeakPolarHBondContact O-CB 3.43Å; K432-F436 PolarHBondContact O-N 3.21Å; L433-F436 PolarHBondContact O-N 2.95Å; T434-F436 VanDerWaalsContact C-N 3.33Å; T434-F436 PolarHBondContact O-N 3.34Å; F436-A438 VanDerWaalsContact C-N 3.25Å; F436-A438 PolarHBondContact O-N 2.75Å; F436-I439 PolarHBondContact O-N 3.41Å; F436-I439 VanDerWaalsContact O-N 3.11Å; F436-Y440 AromaticContact CD2-CD2 3.59Å; F436-Y440 HydrophobicContact CD2-CD2 3.59Å; F436-Y440 HydrophobicContact CD2-CE2 4.07Å; F436-Y440 HydrophobicContact CD2-CG 4.5Å; F436-Y440 AromaticContact CE2-CD2 3.28Å; F436-Y440 HydrophobicContact CE2-CD2 3.28Å; F436-Y440 AromaticContact CE2-CE2 3.78Å; F436-Y440 HydrophobicContact CE2-CE2 3.78Å; F436-Y440 AromaticContact CE2-CG 3.86Å; F436-Y440 HydrophobicContact CE2-CG 3.86Å; F436-Y440 HydrophobicContact CG-CD2 4.34Å; F436-Y440 AromaticContact CZ-CD2 3.8Å; F436-Y440 HydrophobicContact CZ-CD2 3.8Å; F436-Y440 AromaticContact CZ-CG 3.91Å; F436-Y440 HydrophobicContact CZ-CG 3.91Å; F436-Y440 PolarHBondContact O-N 2.59Å; F436-I443 HydrophobicContact CZ-CG2 4.47Å; F436-V444 HydrophobicContact CD1-CG2 3.83Å; F436-V444 HydrophobicContact CE1-CG2 3.7Å; F436-F448 AromaticContact CD1-CZ 3.94Å; F436-F448 HydrophobicContact CD1-CZ 3.94Å; F436-F448 AromaticContact CE1-CE1 3.85Å; F436-F448 HydrophobicContact CE1-CE1 3.85Å; F436-F448 HydrophobicContact CE1-CE2 4.47Å; F436-F448 AromaticContact CE1-CZ 3.49Å; F436-F448 HydrophobicContact CE1-CZ 3.49Å; F436-F448 VanDerWaalsContact CE1-CZ 3.49Å; F436-F448 HydrophobicContact CZ-CE1 4.5Å; F436-F448 HydrophobicContact CZ-CZ 4.39Å
437K95Very high94.8Very high68 Ų6864.7 Ų64.730%0.29636%0.356SS..Hα-helixtrans-58.6-35.8176.8-177.2-168.2170.3-159.60111.7L433 T434 I439 P441 V444 S458 E461L433-K437 WeakPolarHBondContact O-CB 3.18Å; L433-K437 PolarHBondContact O-N 3.08Å; T434-K437 PolarHBondContact O-N 3.03Å; K437-I439 VanDerWaalsContact C-N 3.29Å; K437-I439 PolarHBondContact O-N 3.15Å; K437-P441 WeakPolarHBondContact O-CA 3.36Å; K437-P441 WeakPolarHBondContact O-CB 3.48Å; K437-P441 WeakPolarHBondContact O-CD 3.37Å; K437-P441 VanDerWaalsContact O-N 3.17Å; K437-V444 HydrophobicContact CB-CG2 4.27Å; K437-V444 HydrophobicContact CG-CG2 4.46Å; K437-S458 PolarHBondContact NZ-OG 3.42Å; K437-S458 VanDerWaalsContact NZ-OG 3.12Å; K437-E461 IonicContact NZ-OE1 2.64Å; K437-E461 PolarHBondContact NZ-OE1 3.46Å
438A95.4Very high94.7Very high83 Ų8360.9 Ų60.969%0.68633%0.329SS*.Hα-helixtrans-65.6-29.6178.100000113.4T434 F436T434-A438 PolarHBondContact O-N 3.07Å; F436-A438 VanDerWaalsContact C-N 3.25Å; F436-A438 PolarHBondContact O-N 2.75Å
439I96.5Very high94.5Very high105 Ų10559.5 Ų59.554%0.53833%0.326SS..Hα-helixtrans-93.8-36.8179.7-56.6169.6000111.2F436 K437 P441F436-I439 PolarHBondContact O-N 3.41Å; F436-I439 VanDerWaalsContact O-N 3.11Å; K437-I439 VanDerWaalsContact C-N 3.29Å; K437-I439 PolarHBondContact O-N 3.15Å; I439-P441 WeakPolarHBondContact O-CD 3.48Å
440Y94.8Very high94.2Very high67 Ų6762.8 Ų62.826%0.26335%0.348SS..  trans-124.254-173.8-56.2-86.8000113.3E262 F436 D442 I443 V444E262-Y440 HydrophobicContact CB-CD1 4.07Å; E262-Y440 HydrophobicContact CB-CE1 4.2Å; E262-Y440 HydrophobicContact CB-CG 4.42Å; E262-Y440 HydrophobicContact CG-CE1 4.49Å; F436-Y440 AromaticContact CD2-CD2 3.59Å; F436-Y440 HydrophobicContact CD2-CD2 3.59Å; F436-Y440 HydrophobicContact CD2-CE2 4.07Å; F436-Y440 HydrophobicContact CD2-CG 4.5Å; F436-Y440 AromaticContact CE2-CD2 3.28Å; F436-Y440 HydrophobicContact CE2-CD2 3.28Å; F436-Y440 AromaticContact CE2-CE2 3.78Å; F436-Y440 HydrophobicContact CE2-CE2 3.78Å; F436-Y440 AromaticContact CE2-CG 3.86Å; F436-Y440 HydrophobicContact CE2-CG 3.86Å; F436-Y440 HydrophobicContact CG-CD2 4.34Å; F436-Y440 AromaticContact CZ-CD2 3.8Å; F436-Y440 HydrophobicContact CZ-CD2 3.8Å; F436-Y440 AromaticContact CZ-CG 3.91Å; F436-Y440 HydrophobicContact CZ-CG 3.91Å; F436-Y440 PolarHBondContact O-N 2.59Å; Y440-D442 VanDerWaalsContact C-N 3.29Å; Y440-D442 PolarHBondContact O-N 3.44Å; Y440-I443 HydrophobicContact CD1-CG1 4.26Å; Y440-I443 PolarHBondContact O-N 3.19Å; Y440-V444 PolarHBondContact O-N 2.98Å; Y440-V444 VanDerWaalsContact O-N 3.15Å
441P93.2Very high93.9Very high53 Ų5360.7 Ų60.734%0.34434%0.335SS..Hα-helixtrans-62.1-35.9-173.325.6-34.8000112.8K437 I439 V444 R445K437-P441 WeakPolarHBondContact O-CA 3.36Å; K437-P441 WeakPolarHBondContact O-CB 3.48Å; K437-P441 WeakPolarHBondContact O-CD 3.37Å; K437-P441 VanDerWaalsContact O-N 3.17Å; I439-P441 WeakPolarHBondContact O-CD 3.48Å; P441-V444 PolarHBondContact O-N 3.17Å; P441-R445 WeakPolarHBondContact O-CB 3.4Å; P441-R445 PolarHBondContact O-N 3.18Å
442D92.1Very high93.9Very high98 Ų9855.7 Ų55.752%0.52431%0.311SS..Hα-helixtrans-72.5-35.5-179.8-60.9-35.5000112.3Y440 R445 A446Y440-D442 VanDerWaalsContact C-N 3.29Å; Y440-D442 PolarHBondContact O-N 3.44Å; D442-R445 PolarHBondContact O-N 3.49Å; D442-R445 IonicContact OD1-CZ 3.64Å; D442-R445 IonicContact OD1-NH1 3.19Å; D442-R445 PolarHBondContact OD1-NH1 2.96Å; D442-R445 IonicContact OD1-NH2 2.74Å; D442-R445 PolarHBondContact OD1-NH2 3.26Å; D442-A446 VanDerWaalsContact O-CB 3.26Å; D442-A446 WeakPolarHBondContact O-CB 3.29Å; D442-A446 PolarHBondContact O-N 3.43Å
443I92.4Very high93.7Very high40 Ų4056.9 Ų56.921%0.20532%0.317CS..Hα-helixtrans-62.9-47.7173.2-56.9-60.5000110E262 F436 Y440 R445 A446 H447 F448E262-I443 HydrophobicContact CB-CG1 4.18Å; E262-I443 HydrophobicContact CB-CG2 4.19Å; E262-I443 HydrophobicContact CG-CG1 4.46Å; F436-I443 HydrophobicContact CZ-CG2 4.47Å; Y440-I443 HydrophobicContact CD1-CG1 4.26Å; Y440-I443 PolarHBondContact O-N 3.19Å; I443-R445 VanDerWaalsContact C-N 3.33Å; I443-R445 PolarHBondContact O-N 3.01Å; I443-A446 PolarHBondContact O-N 3.06Å; I443-H447 HydrophobicContact CG2-CB 4.3Å; I443-H447 WeakPolarHBondContact O-CA 3.41Å; I443-H447 WeakPolarHBondContact O-CB 3.46Å; I443-H447 PolarHBondContact O-N 3.47Å; I443-F448 HydrophobicContact CG2-CE1 4.25Å; I443-F448 PolarHBondContact O-N 3.21Å
444V91.6Very high93.3Very high19 Ų1958.9 Ų58.912%0.11533%0.326CS..Hα-helixtrans-58.9-47.9175.5178.90000109.5F436 K437 Y440 P441 A446 F448 K453F436-V444 HydrophobicContact CD1-CG2 3.83Å; F436-V444 HydrophobicContact CE1-CG2 3.7Å; K437-V444 HydrophobicContact CB-CG2 4.27Å; K437-V444 HydrophobicContact CG-CG2 4.46Å; Y440-V444 PolarHBondContact O-N 2.98Å; Y440-V444 VanDerWaalsContact O-N 3.15Å; P441-V444 PolarHBondContact O-N 3.17Å; V444-A446 PolarHBondContact O-N 3.35Å; V444-F448 HydrophobicContact CB-CD2 4.49Å; V444-F448 HydrophobicContact CB-CG 4.47Å; V444-F448 HydrophobicContact CG1-CD2 4.01Å; V444-F448 HydrophobicContact CG1-CE2 4.49Å; V444-F448 HydrophobicContact CG1-CG 4.26Å; V444-F448 HydrophobicContact CG2-CD2 4.31Å; V444-F448 HydrophobicContact CG2-CE1 4.31Å; V444-F448 HydrophobicContact CG2-CE2 4.07Å; V444-F448 HydrophobicContact CG2-CZ 4.06Å; V444-F448 WeakPolarHBondContact O-CB 3.44Å; V444-F448 PolarHBondContact O-N 3.48Å; V444-K453 WeakPolarHBondContact O-CD 3.34Å
445R90.1Very high93.1Very high159 Ų15955.8 Ų55.860%0.631%0.306SS*.Hα-helixtrans-61.8-47.3-178.6-160.2-175.5-52.5105.76.7112.9P441 D442 I443 K453P441-R445 WeakPolarHBondContact O-CB 3.4Å; P441-R445 PolarHBondContact O-N 3.18Å; D442-R445 PolarHBondContact O-N 3.49Å; D442-R445 IonicContact OD1-CZ 3.64Å; D442-R445 IonicContact OD1-NH1 3.19Å; D442-R445 PolarHBondContact OD1-NH1 2.96Å; D442-R445 IonicContact OD1-NH2 2.74Å; D442-R445 PolarHBondContact OD1-NH2 3.26Å; I443-R445 VanDerWaalsContact C-N 3.33Å; I443-R445 PolarHBondContact O-N 3.01Å; R445-K453 PolarHBondContact O-NZ 2.64Å
446A89.9Confident92.8Very high70 Ų7054.9 Ų54.958%0.57929%0.292SS*.Hα-helixtrans-85.5-41.7-171.800000113.9D442 I443 V444D442-A446 VanDerWaalsContact O-CB 3.26Å; D442-A446 WeakPolarHBondContact O-CB 3.29Å; D442-A446 PolarHBondContact O-N 3.43Å; I443-A446 PolarHBondContact O-N 3.06Å; V444-A446 PolarHBondContact O-N 3.35Å
447H91.9Very high91.9Very high98 Ų9856.4 Ų56.445%0.45431%0.308SS..Hα-helixtrans-108.8-22.1-164.7-62.5-55.9000114.9Q266 I443Q266-H447 HydrophobicContact CG-CB 4.21Å; I443-H447 HydrophobicContact CG2-CB 4.3Å; I443-H447 WeakPolarHBondContact O-CA 3.41Å; I443-H447 WeakPolarHBondContact O-CB 3.46Å; I443-H447 PolarHBondContact O-N 3.47Å
448F94.8Very high90.2Very high2 Ų256.3 Ų56.31%0.00932%0.315CS..SBendtrans-73.1141.8177.6-78.229000110.9W265 Q266 A269 L433 F436 I443 V444 Y452 K453W265-F448 HydrophobicContact CB-CE1 4.5Å; W265-F448 HydrophobicContact CB-CZ 4.1Å; W265-F448 HydrophobicContact CE3-CZ 4.4Å; Q266-F448 HydrophobicContact CB-CE1 4.35Å; A269-F448 HydrophobicContact CB-CD1 4.45Å; A269-F448 HydrophobicContact CB-CD2 3.9Å; A269-F448 HydrophobicContact CB-CE2 3.97Å; A269-F448 HydrophobicContact CB-CG 4.15Å; A269-F448 HydrophobicContact CB-CZ 4.3Å; L433-F448 HydrophobicContact CD1-CE2 3.77Å; F436-F448 AromaticContact CD1-CZ 3.94Å; F436-F448 HydrophobicContact CD1-CZ 3.94Å; F436-F448 AromaticContact CE1-CE1 3.85Å; F436-F448 HydrophobicContact CE1-CE1 3.85Å; F436-F448 HydrophobicContact CE1-CE2 4.47Å; F436-F448 AromaticContact CE1-CZ 3.49Å; F436-F448 HydrophobicContact CE1-CZ 3.49Å; F436-F448 VanDerWaalsContact CE1-CZ 3.49Å; F436-F448 HydrophobicContact CZ-CE1 4.5Å; F436-F448 HydrophobicContact CZ-CZ 4.39Å; I443-F448 HydrophobicContact CG2-CE1 4.25Å; I443-F448 PolarHBondContact O-N 3.21Å; V444-F448 HydrophobicContact CB-CD2 4.49Å; V444-F448 HydrophobicContact CB-CG 4.47Å; V444-F448 HydrophobicContact CG1-CD2 4.01Å; V444-F448 HydrophobicContact CG1-CE2 4.49Å; V444-F448 HydrophobicContact CG1-CG 4.26Å; V444-F448 HydrophobicContact CG2-CD2 4.31Å; V444-F448 HydrophobicContact CG2-CE1 4.31Å; V444-F448 HydrophobicContact CG2-CE2 4.07Å; V444-F448 HydrophobicContact CG2-CZ 4.06Å; V444-F448 WeakPolarHBondContact O-CB 3.44Å; V444-F448 PolarHBondContact O-N 3.48Å; F448-Y452 AromaticContact CD2-CD1 3.57Å; F448-Y452 HydrophobicContact CD2-CD1 3.57Å; F448-Y452 AromaticContact CD2-CE1 3.65Å; F448-Y452 HydrophobicContact CD2-CE1 3.65Å; F448-Y452 HydrophobicContact CD2-CG 4.44Å; F448-Y452 HydrophobicContact CE2-CD1 4.17Å; F448-Y452 AromaticContact CE2-CE1 3.75Å; F448-Y452 HydrophobicContact CE2-CE1 3.75Å; F448-K453 HydrophobicContact CB-CD 4.3Å; F448-K453 HydrophobicContact CB-CG 4.06Å; F448-K453 WeakPolarHBondContact O-CE 3.45Å; F448-K453 PolarHBondContact O-NZ 2.98Å
449P94.6Very high87.9Confident21 Ų2157 Ų5714%0.13631%0.308CS..  trans-58143.9-179.9-25.334.7000112.6I270 T273 L451 Y452 K453I270-P449 HydrophobicContact CG1-CG 3.84Å; T273-P449 HydrophobicContact CG2-CB 3.71Å; T273-P449 HydrophobicContact CG2-CG 4.24Å; T273-P449 WeakPolarHBondContact OG1-CB 3.47Å; T273-P449 WeakPolarHBondContact OG1-CG 3.28Å; P449-L451 PolarHBondContact O-N 3.12Å; P449-Y452 WeakPolarHBondContact O-CB 3.41Å; P449-Y452 PolarHBondContact O-N 3.37Å; P449-K453 PolarHBondContact O-N 3.23Å; P449-K453 VanDerWaalsContact O-N 3.07Å
450P91.3Very high85.2Confident77 Ų7760.6 Ų60.650%0.532%0.32SS..Hα-helixtrans-54.7-39.3175.8-27.335.5000113.3Y452 K453 E454P450-Y452 VanDerWaalsContact C-N 3.32Å; P450-Y452 PolarHBondContact O-N 3.02Å; P450-K453 PolarHBondContact O-N 3.47Å; P450-K453 VanDerWaalsContact O-N 3.11Å; P450-E454 PolarHBondContact O-N 2.8Å; P450-E454 VanDerWaalsContact O-N 3.16Å
451L90.2Very high82.4Confident16 Ų1664.3 Ų64.38%0.08434%0.34CS..Hα-helixtrans-65.6-30.6177169.370.9000113.6M1 T273 I276 Q277 P449 L455M1-L451 HydrophobicContact CB-CD1 4.36Å; M1-L451 VanDerWaalsContact CE-CA 3.46Å; M1-L451 HydrophobicContact CE-CB 4.32Å; M1-L451 HydrophobicContact CE-CD1 3.97Å; M1-L451 VanDerWaalsContact CE-O 3.26Å; M1-L451 WeakPolarHBondContact CE-O 3.19Å; M1-L451 HydrophobicContact CG-CB 3.88Å; M1-L451 HydrophobicContact CG-CD1 3.68Å; M1-L451 HydrophobicContact CG-CG 4.34Å; M1-L451 WeakPolarHBondContact SD-CA 3.49Å; M1-L451 HydrophobicContact SD-CB 4.19Å; T273-L451 HydrophobicContact CG2-CB 3.71Å; T273-L451 HydrophobicContact CG2-CD2 3.71Å; T273-L451 HydrophobicContact CG2-CG 3.88Å; I276-L451 HydrophobicContact CG2-CD1 3.9Å; I276-L451 HydrophobicContact CG2-CD2 4.13Å; I276-L451 HydrophobicContact CG2-CG 4.17Å; Q277-L451 HydrophobicContact CB-CD2 4.4Å; Q277-L451 HydrophobicContact CG-CD2 3.27Å; P449-L451 PolarHBondContact O-N 3.12Å; L451-L455 HydrophobicContact CD1-CD1 3.61Å; L451-L455 HydrophobicContact CD1-CG 4.16Å; L451-L455 HydrophobicContact CG-CD1 4.29Å; L451-L455 WeakPolarHBondContact O-CD1 3.39Å; L451-L455 WeakPolarHBondContact O-CG 3.5Å
452Y95.2Very high79.8Confident5 Ų570.4 Ų70.42%0.0236%0.363CS..Hα-helixtrans-69.4-43.9169.3-162.1-89000111.2A269 I272 T273 H429 L433 F448 P449 P450 L455 F456A269-Y452 HydrophobicContact CB-CD1 4.31Å; A269-Y452 HydrophobicContact CB-CD2 3.85Å; A269-Y452 HydrophobicContact CB-CE1 4.34Å; A269-Y452 HydrophobicContact CB-CE2 3.92Å; A269-Y452 HydrophobicContact CB-CG 4.04Å; I272-Y452 HydrophobicContact CB-CD2 4.44Å; I272-Y452 HydrophobicContact CB-CE2 4.22Å; I272-Y452 HydrophobicContact CD1-CE2 4.27Å; I272-Y452 HydrophobicContact CG2-CD2 4.17Å; I272-Y452 HydrophobicContact CG2-CE2 3.96Å; T273-Y452 WeakPolarHBondContact OG1-CB 3.33Å; H429-Y452 AromaticContact CE1-CZ 3.91Å; H429-Y452 PolarHBondContact CE1-OH 3.06Å; H429-Y452 AromaticContact NE2-CZ 3.79Å; H429-Y452 PolarHBondContact NE2-OH 3.04Å; L433-Y452 HydrophobicContact CD1-CE1 3.84Å; L433-Y452 HydrophobicContact CD2-CE1 3.67Å; L433-Y452 HydrophobicContact CG-CE1 4.42Å; F448-Y452 AromaticContact CD2-CD1 3.57Å; F448-Y452 HydrophobicContact CD2-CD1 3.57Å; F448-Y452 AromaticContact CD2-CE1 3.65Å; F448-Y452 HydrophobicContact CD2-CE1 3.65Å; F448-Y452 HydrophobicContact CD2-CG 4.44Å; F448-Y452 HydrophobicContact CE2-CD1 4.17Å; F448-Y452 AromaticContact CE2-CE1 3.75Å; F448-Y452 HydrophobicContact CE2-CE1 3.75Å; P449-Y452 WeakPolarHBondContact O-CB 3.41Å; P449-Y452 PolarHBondContact O-N 3.37Å; P450-Y452 VanDerWaalsContact C-N 3.32Å; P450-Y452 PolarHBondContact O-N 3.02Å; Y452-L455 PolarHBondContact O-N 3.34Å; Y452-F456 AromaticContact CD1-CD2 3.84Å; Y452-F456 HydrophobicContact CD1-CD2 3.84Å; Y452-F456 AromaticContact CD2-CD2 3.65Å; Y452-F456 HydrophobicContact CD2-CD2 3.65Å; Y452-F456 AromaticContact CD2-CE2 3.7Å; Y452-F456 HydrophobicContact CD2-CE2 3.7Å; Y452-F456 HydrophobicContact CE1-CB 4.28Å; Y452-F456 AromaticContact CE1-CD2 3.82Å; Y452-F456 HydrophobicContact CE1-CD2 3.82Å; Y452-F456 HydrophobicContact CE1-CG 4.42Å; Y452-F456 AromaticContact CE2-CD2 3.6Å; Y452-F456 HydrophobicContact CE2-CD2 3.6Å; Y452-F456 AromaticContact CE2-CE2 3.65Å; Y452-F456 HydrophobicContact CE2-CE2 3.65Å; Y452-F456 AromaticContact CG-CD2 3.77Å; Y452-F456 HydrophobicContact CG-CD2 3.77Å; Y452-F456 HydrophobicContact CG-CE2 4.24Å; Y452-F456 AromaticContact CZ-CD2 3.71Å; Y452-F456 WeakPolarHBondContact O-CD2 3.37Å; Y452-F456 PolarHBondContact O-N 3.35Å
453K93.1Very high76.7Confident62 Ų6271.2 Ų71.227%0.2738%0.377SS..Hα-helixtrans-67.3-42.9-172-73-174.6-66.2-147.90115.3V444 R445 F448 P449 P450 L455 G457V444-K453 WeakPolarHBondContact O-CD 3.34Å; R445-K453 PolarHBondContact O-NZ 2.64Å; F448-K453 HydrophobicContact CB-CD 4.3Å; F448-K453 HydrophobicContact CB-CG 4.06Å; F448-K453 WeakPolarHBondContact O-CE 3.45Å; F448-K453 PolarHBondContact O-NZ 2.98Å; P449-K453 PolarHBondContact O-N 3.23Å; P449-K453 VanDerWaalsContact O-N 3.07Å; P450-K453 PolarHBondContact O-N 3.47Å; P450-K453 VanDerWaalsContact O-N 3.11Å; K453-L455 VanDerWaalsContact C-N 3.33Å; K453-G457 WeakPolarHBondContact O-CA 3.38Å; K453-G457 PolarHBondContact O-N 3.42Å
454E89.9Confident73.8Confident55 Ų5576.3 Ų76.326%0.25740%0.401SS..Hα-helixtrans-80-14.8177.1149.5-154.9150.900112.3M1 K302 P450M1-E454 WeakPolarHBondContact CA-OE1 3.49Å; M1-E454 WeakPolarHBondContact CA-OE2 3.4Å; M1-E454 WeakPolarHBondContact CB-OE1 3.36Å; M1-E454 HydrophobicContact CE-CB 3.22Å; M1-E454 HydrophobicContact CE-CG 3.35Å; M1-E454 PolarHBondContact N-OE1 3.31Å; M1-E454 PolarHBondContact N-OE2 2.79Å; M1-E454 HydrophobicContact SD-CB 3.78Å; M1-E454 VanDerWaalsContact SD-CD 3.54Å; M1-E454 HydrophobicContact SD-CG 4.07Å; K302-E454 WeakPolarHBondContact CE-O 3.46Å; K302-E454 PolarHBondContact NZ-O 3.14Å; P450-E454 PolarHBondContact O-N 2.8Å; P450-E454 VanDerWaalsContact O-N 3.16Å
455L90Very high71Confident22 Ų2280.3 Ų80.312%0.11543%0.428CS..Hα-helixtrans-84.2-44.1174.3-66.6-179.1000113.2M1 I276 K302 L451 Y452 K453M1-L455 HydrophobicContact CE-CD2 4.36Å; M1-L455 HydrophobicContact CE-CG 3.91Å; I276-L455 HydrophobicContact CD1-CD1 3.91Å; I276-L455 HydrophobicContact CG2-CD1 3.49Å; I276-L455 VanDerWaalsContact CG2-CD1 3.49Å; K302-L455 HydrophobicContact CB-CD2 4.45Å; K302-L455 HydrophobicContact CG-CD2 3.78Å; L451-L455 HydrophobicContact CD1-CD1 3.61Å; L451-L455 HydrophobicContact CD1-CG 4.16Å; L451-L455 HydrophobicContact CG-CD1 4.29Å; L451-L455 WeakPolarHBondContact O-CD1 3.39Å; L451-L455 WeakPolarHBondContact O-CG 3.5Å; Y452-L455 PolarHBondContact O-N 3.34Å; K453-L455 VanDerWaalsContact C-N 3.33Å
456F90.5Very high68.5Low33 Ų3379.5 Ų79.515%0.14544%0.44CS..Hα-helixtrans-110.6-3.9-176.4-51.7-66.9000113.8I272 I276 L306 H429 L433 Y452I272-F456 HydrophobicContact CG2-CE2 4.16Å; I272-F456 HydrophobicContact CG2-CZ 4.45Å; I276-F456 HydrophobicContact CD1-CE2 3.75Å; I276-F456 HydrophobicContact CD1-CZ 3.76Å; L306-F456 HydrophobicContact CB-CE1 3.97Å; L306-F456 HydrophobicContact CB-CZ 3.96Å; L306-F456 HydrophobicContact CD1-CZ 4.35Å; L306-F456 HydrophobicContact CD2-CE1 3.85Å; L306-F456 HydrophobicContact CD2-CZ 4.1Å; L306-F456 HydrophobicContact CG-CE1 4.44Å; L306-F456 HydrophobicContact CG-CZ 4.36Å; H429-F456 AromaticContact CE1-CD1 3.86Å; H429-F456 AromaticContact CE1-CE1 3.98Å; H429-F456 AromaticContact CE1-CG 3.96Å; L433-F456 HydrophobicContact CD2-CB 3.47Å; L433-F456 VanDerWaalsContact CD2-CB 3.47Å; L433-F456 HydrophobicContact CD2-CG 4.35Å; Y452-F456 AromaticContact CD1-CD2 3.84Å; Y452-F456 HydrophobicContact CD1-CD2 3.84Å; Y452-F456 AromaticContact CD2-CD2 3.65Å; Y452-F456 HydrophobicContact CD2-CD2 3.65Å; Y452-F456 AromaticContact CD2-CE2 3.7Å; Y452-F456 HydrophobicContact CD2-CE2 3.7Å; Y452-F456 HydrophobicContact CE1-CB 4.28Å; Y452-F456 AromaticContact CE1-CD2 3.82Å; Y452-F456 HydrophobicContact CE1-CD2 3.82Å; Y452-F456 HydrophobicContact CE1-CG 4.42Å; Y452-F456 AromaticContact CE2-CD2 3.6Å; Y452-F456 HydrophobicContact CE2-CD2 3.6Å; Y452-F456 AromaticContact CE2-CE2 3.65Å; Y452-F456 HydrophobicContact CE2-CE2 3.65Å; Y452-F456 AromaticContact CG-CD2 3.77Å; Y452-F456 HydrophobicContact CG-CD2 3.77Å; Y452-F456 HydrophobicContact CG-CE2 4.24Å; Y452-F456 AromaticContact CZ-CD2 3.71Å; Y452-F456 WeakPolarHBondContact O-CD2 3.37Å; Y452-F456 PolarHBondContact O-N 3.35Å
457G77.2Confident65.9Low31 Ų3183.7 Ų83.732%0.3245%0.453SS..SBendtrans-69.8139.6169.400000110.8K453 D459K453-G457 WeakPolarHBondContact O-CA 3.38Å; K453-G457 PolarHBondContact O-N 3.42Å; G457-D459 VanDerWaalsContact C-N 3.26Å; G457-D459 PolarHBondContact O-N 2.95Å
458S60.6Low63.2Low66 Ų6686 Ų8646%0.46250%0.504SS..  trans-68.878.8172.450.50000110.8K437 F460K437-S458 PolarHBondContact NZ-OG 3.42Å; K437-S458 VanDerWaalsContact NZ-OG 3.12Å; S458-F460 PolarHBondContact O-N 3.14Å
459D47.2Very low61.6Low99 Ų9990.3 Ų90.353%0.52953%0.528SS..THydrogen-bonded Turntrans-68.859.1169.1-76.6-16.5000110.8K302 G457K302-D459 IonicContact NZ-OD2 2.68Å; K302-D459 PolarHBondContact NZ-OD2 3.38Å; G457-D459 VanDerWaalsContact C-N 3.26Å; G457-D459 PolarHBondContact O-N 2.95Å
460F39.4Very low59.9Low180 Ų18093.9 Ų93.979%0.78955%0.549SS*.THydrogen-bonded Turntrans-162.233.4165.1-92.6-59.7000112.3S458 Q462S458-F460 PolarHBondContact O-N 3.14Å; F460-Q462 VanDerWaalsContact C-N 3.29Å; F460-Q462 PolarHBondContact O-N 3.47Å
461E36.1Very low58.2Low145 Ų14594.8 Ų94.868%0.67855%0.552SS**SBendtrans-7289159.5-79.6172.4-150.600108.9K437K437-E461 IonicContact NZ-OE1 2.64Å; K437-E461 PolarHBondContact NZ-OE1 3.46Å
462Q36.8Very low56.3Low180 Ų18099.5 Ų99.584%0.84158%0.579SS**  trans38.984.6156.6-66.2173.9-15.200117.8F460F460-Q462 VanDerWaalsContact C-N 3.29Å; F460-Q462 PolarHBondContact O-N 3.47Å
463S28.2Very low53.8Low115 Ų115105.4 Ų105.480%0.80461%0.614SS**  trans-104.850.9146.172.40000110.6
464M30.8Very low51.2Low147 Ų147108.3 Ų108.372%0.72464%0.637SS**  trans-76.7142.1156.2-67.5-92.467.900107.2V466M464-V466 PolarHBondContact O-N 3.42Å
465P34Very low48.5Very low103 Ų103112.1 Ų112.167%0.66966%0.664SS**  trans-57131.4162.4-15.929.7000108.1D467P465-D467 PolarHBondContact O-N 3.1Å
466V36.3Very low45.3Very low142 Ų142119 Ų11986%0.86171%0.707SS**  trans-75.6104.8158.3176.50000105M464 G468M464-V466 PolarHBondContact O-N 3.42Å; V466-G468 PolarHBondContact O-N 3.36Å
467D35.5Very low41.5Very low159 Ų159126.2 Ų126.285%0.8575%0.754SS**  trans-61122.3164.4-77.8-33.5000108.1P465P465-D467 PolarHBondContact O-N 3.1Å
468G35.8Very low38.2Very low147 Ų147134.8 Ų134.8100%1.51579%0.793SS**  trans-1610-179.500000110.6V466V466-G468 PolarHBondContact O-N 3.36Å

Retrieved 468 of 468 residues in 977.3 ms (Link to these results)

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