A0A096LXQ5_POEFO Loading...

Signal transducer and activator of transcription

AlphaFold DB , UniProt , Accession A0A096LXQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 736 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
1M56.3Low75.2Confident163 Ų16371.2 Ų71.280%0.80334%0.339SS*.  0129.70-168.6-175.1-66.800106.1K5 Q6M1-K5 HydrophobicContact CG-CB 3.92Å; M1-K5 HydrophobicContact CG-CD 4.37Å; M1-K5 HydrophobicContact SD-CB 4.47Å; M1-Q6 HydrophobicContact CG-CG 4.39Å; M1-Q6 HydrophobicContact SD-CG 3.95Å
2S73.8Confident74.2Confident25 Ų2576.3 Ų76.318%0.17537%0.365CS..  trans-62.5148.8-178.350.20000111.1W4 K5 Q6 E39S2-W4 PolarHBondContact O-N 2.8Å; S2-K5 PolarHBondContact O-N 3.19Å; S2-K5 VanDerWaalsContact O-N 3.12Å; S2-K5 WeakPolarHBondContact OG-CG 3.35Å; S2-Q6 PolarHBondContact O-N 2.78Å; S2-E39 WeakPolarHBondContact CA-OE2 3.27Å; S2-E39 WeakPolarHBondContact CB-OE2 3.39Å
3Q80Confident73Confident31 Ų3176 Ų7615%0.14536%0.358CS..Hα-helixtrans-52.7-41172.5175.6177.3-26.600110.1K5 Q6 V7 E39 C104 E107Q3-K5 VanDerWaalsContact C-N 3.35Å; Q3-K5 PolarHBondContact O-N 3.34Å; Q3-Q6 WeakPolarHBondContact O-CB 3.32Å; Q3-Q6 PolarHBondContact O-N 3.32Å; Q3-Q6 VanDerWaalsContact O-N 3.08Å; Q3-V7 HydrophobicContact CG-CG2 4.42Å; Q3-V7 WeakPolarHBondContact O-CG2 3.48Å; Q3-V7 PolarHBondContact O-N 3.48Å; Q3-E39 HydrophobicContact CB-CG 4.35Å; Q3-E39 WeakPolarHBondContact CB-OE1 3.25Å; Q3-E39 VanDerWaalsContact N-CD 3.28Å; Q3-E39 PolarHBondContact N-OE1 3.41Å; Q3-E39 PolarHBondContact N-OE2 3.33Å; Q3-C104 PolarHBondContact NE2-O 2.96Å; Q3-E107 PolarHBondContact NE2-OE2 3.33Å
4W83.4Confident72.3Confident10 Ų1071.4 Ų71.44%0.03834%0.337CS..Hα-helixtrans-59.1-41.8177.5-164.5-124.9000113.8S2 Q6 V7 Q8 V18 Y22 M28 R31 A35 E39 E107S2-W4 PolarHBondContact O-N 2.8Å; W4-Q6 PolarHBondContact O-N 3.38Å; W4-V7 HydrophobicContact CE3-CB 4.29Å; W4-V7 HydrophobicContact CE3-CG1 4.26Å; W4-V7 HydrophobicContact CZ3-CG1 4.12Å; W4-V7 WeakPolarHBondContact O-CB 3.5Å; W4-V7 PolarHBondContact O-N 3.41Å; W4-Q8 VanDerWaalsContact NE1-NE2 3.13Å; W4-Q8 WeakPolarHBondContact O-CG 3.36Å; W4-Q8 PolarHBondContact O-N 3.14Å; W4-V18 HydrophobicContact CH2-CG1 4.12Å; W4-V18 HydrophobicContact CZ3-CG1 3.92Å; W4-Y22 AromaticContact CH2-CE2 3.82Å; W4-Y22 HydrophobicContact CH2-CE2 3.82Å; W4-Y22 AromaticContact CZ3-CE2 3.83Å; W4-Y22 HydrophobicContact CZ3-CE2 3.83Å; W4-Y22 AromaticContact CZ3-CZ 3.95Å; W4-M28 HydrophobicContact CH2-CE 4.43Å; W4-M28 HydrophobicContact CH2-CG 3.73Å; W4-M28 HydrophobicContact CH2-SD 3.82Å; W4-M28 HydrophobicContact CZ2-CE 3.98Å; W4-M28 HydrophobicContact CZ2-CG 3.66Å; W4-M28 HydrophobicContact CZ2-SD 3.92Å; W4-R31 HydrophobicContact CD2-CG 3.73Å; W4-R31 HydrophobicContact CE3-CG 3.56Å; W4-R31 HydrophobicContact CG-CG 4.45Å; W4-R31 HydrophobicContact CH2-CG 3.95Å; W4-R31 HydrophobicContact CZ2-CG 4.09Å; W4-R31 HydrophobicContact CZ3-CG 3.69Å; W4-A35 HydrophobicContact CB-CB 3.7Å; W4-A35 HydrophobicContact CG-CB 4.15Å; W4-E39 PolarHBondContact N-OE1 3.16Å; W4-E107 WeakPolarHBondContact CZ3-OE1 3.34Å
5K80.8Confident72.4Confident120 Ų12069.9 Ų69.952%0.52233%0.331SS..Hα-helixtrans-65.9-29.6178-80.9-176.4177.4-1720112.2M1 S2 Q3 Q9M1-K5 HydrophobicContact CG-CB 3.92Å; M1-K5 HydrophobicContact CG-CD 4.37Å; M1-K5 HydrophobicContact SD-CB 4.47Å; S2-K5 PolarHBondContact O-N 3.19Å; S2-K5 VanDerWaalsContact O-N 3.12Å; S2-K5 WeakPolarHBondContact OG-CG 3.35Å; Q3-K5 VanDerWaalsContact C-N 3.35Å; Q3-K5 PolarHBondContact O-N 3.34Å; K5-Q9 WeakPolarHBondContact O-CG 3.33Å
6Q79Confident72.2Confident61 Ų6172.3 Ų72.329%0.28534%0.342SS..Hα-helixtrans-76.3-37.1174.6-62.7172.8-1.400111M1 S2 Q3 W4 Q9M1-Q6 HydrophobicContact CG-CG 4.39Å; M1-Q6 HydrophobicContact SD-CG 3.95Å; S2-Q6 PolarHBondContact O-N 2.78Å; Q3-Q6 WeakPolarHBondContact O-CB 3.32Å; Q3-Q6 PolarHBondContact O-N 3.32Å; Q3-Q6 VanDerWaalsContact O-N 3.08Å; W4-Q6 PolarHBondContact O-N 3.38Å; Q6-Q9 PolarHBondContact O-N 3.11Å
7V79.6Confident71.9Confident2 Ų273.1 Ų73.11%0.01235%0.346CS..Hα-helixtrans-61.8-43.8173.6171.10000110.8Q3 W4 Q9 L10 L15 V18 E107Q3-V7 HydrophobicContact CG-CG2 4.42Å; Q3-V7 WeakPolarHBondContact O-CG2 3.48Å; Q3-V7 PolarHBondContact O-N 3.48Å; W4-V7 HydrophobicContact CE3-CB 4.29Å; W4-V7 HydrophobicContact CE3-CG1 4.26Å; W4-V7 HydrophobicContact CZ3-CG1 4.12Å; W4-V7 WeakPolarHBondContact O-CB 3.5Å; W4-V7 PolarHBondContact O-N 3.41Å; V7-Q9 PolarHBondContact O-N 3.23Å; V7-Q9 VanDerWaalsContact O-N 3.07Å; V7-L10 HydrophobicContact CB-CD1 4.47Å; V7-L10 HydrophobicContact CG1-CD1 4.28Å; V7-L10 VanDerWaalsContact O-CB 3.25Å; V7-L10 WeakPolarHBondContact O-CB 3.13Å; V7-L10 VanDerWaalsContact O-CG 3.25Å; V7-L10 WeakPolarHBondContact O-CG 3.36Å; V7-L10 PolarHBondContact O-N 3.31Å; V7-L15 HydrophobicContact CG1-CD2 4.31Å; V7-L15 WeakPolarHBondContact O-CD2 3.38Å; V7-V18 HydrophobicContact CG1-CB 4.34Å; V7-V18 HydrophobicContact CG1-CG1 3.89Å; V7-V18 HydrophobicContact CG1-CG2 3.78Å; V7-E107 HydrophobicContact CG2-CB 4.41Å; V7-E107 HydrophobicContact CG2-CG 4.46Å
8Q80.3Confident72.2Confident93 Ų9369.2 Ų69.244%0.43533%0.327SS..THydrogen-bonded Turntrans-61.5-15.2175.9-72.9179.6-22.800114.7W4W4-Q8 VanDerWaalsContact NE1-NE2 3.13Å; W4-Q8 WeakPolarHBondContact O-CG 3.36Å; W4-Q8 PolarHBondContact O-N 3.14Å
9Q76.3Confident72.4Confident142 Ų14270.6 Ų70.666%0.66434%0.337SS*.THydrogen-bonded Turntrans-95.2-0.8177-69.1173.2-4.400112.9K5 Q6 V7K5-Q9 WeakPolarHBondContact O-CG 3.33Å; Q6-Q9 PolarHBondContact O-N 3.11Å; V7-Q9 PolarHBondContact O-N 3.23Å; V7-Q9 VanDerWaalsContact O-N 3.07Å
10L73.6Confident72.4Confident28 Ų2875.5 Ų75.515%0.14735%0.353CS..SBendtrans-70.9158.7176-62.8175000111.1V7 L14 L15 V110V7-L10 HydrophobicContact CB-CD1 4.47Å; V7-L10 HydrophobicContact CG1-CD1 4.28Å; V7-L10 VanDerWaalsContact O-CB 3.25Å; V7-L10 WeakPolarHBondContact O-CB 3.13Å; V7-L10 VanDerWaalsContact O-CG 3.25Å; V7-L10 WeakPolarHBondContact O-CG 3.36Å; V7-L10 PolarHBondContact O-N 3.31Å; L10-L14 HydrophobicContact CB-CB 3.94Å; L10-L14 HydrophobicContact CB-CD1 4.17Å; L10-L14 HydrophobicContact CD1-CB 4.2Å; L10-L14 HydrophobicContact CD2-CD1 4.18Å; L10-L15 HydrophobicContact CB-CG 4.49Å; L10-V110 HydrophobicContact CD1-CG1 4.45Å
11E64.2Low72.4Confident108 Ų10873.4 Ų73.451%0.50535%0.345SS..  trans-58.3148.9172.4-66.1-174.2170.800111.2R13 L14 L15 Q119E11-R13 PolarHBondContact O-N 2.93Å; E11-L14 WeakPolarHBondContact O-CB 3.41Å; E11-L14 PolarHBondContact O-N 3Å; E11-L15 PolarHBondContact O-N 3.44Å; E11-L15 VanDerWaalsContact O-N 3.11Å; E11-Q119 PolarHBondContact OE1-NE2 3.31Å; E11-Q119 PolarHBondContact OE2-NE2 3.33Å; E11-Q119 VanDerWaalsContact OE2-NE2 3.13Å
12M62.9Low73.5Confident132 Ų13266.7 Ų66.765%0.6531%0.311SS*.Hα-helixtrans-50.5-35.2-176.8-75.9-63.3-59.300114L14 L15 E16M12-L14 VanDerWaalsContact C-N 3.34Å; M12-L14 PolarHBondContact O-N 3.24Å; M12-L15 WeakPolarHBondContact O-CB 3.24Å; M12-L15 PolarHBondContact O-N 2.72Å; M12-L15 HydrophobicContact SD-CD1 4.06Å; M12-E16 PolarHBondContact O-N 2.97Å
13R58.9Low73.5Confident73 Ų7369.1 Ų69.128%0.27532%0.321SS..Hα-helixtrans-65.1-36.5178.2-63.8179.4-177165.2-1.5113.2E11 Q17 E123 P245E11-R13 PolarHBondContact O-N 2.93Å; R13-Q17 PolarHBondContact O-N 3.42Å; R13-E123 IonicContact CZ-OE1 3.96Å; R13-E123 IonicContact CZ-OE2 3.56Å; R13-E123 VanDerWaalsContact CZ-OE2 3.23Å; R13-E123 IonicContact NH1-OE1 2.79Å; R13-E123 IonicContact NH1-OE2 3.55Å; R13-E123 PolarHBondContact NH1-OE2 3.47Å; R13-E123 IonicContact NH2-OE1 3.2Å; R13-E123 PolarHBondContact NH2-OE1 3.48Å; R13-E123 IonicContact NH2-OE2 3.92Å; R13-E123 PolarHBondContact NH2-OE2 2.91Å; R13-E123 VanDerWaalsContact NH2-OE2 3.08Å; R13-P245 VanDerWaalsContact NH2-CG 3.31Å
14L63.3Low73Confident11 Ų1173.9 Ų73.96%0.05835%0.348CS..Hα-helixtrans-76.8-32.5176.9-63.2171.2000110.4L10 E11 M12 E16 Q17 V18 V110 S114 L117L10-L14 HydrophobicContact CB-CB 3.94Å; L10-L14 HydrophobicContact CB-CD1 4.17Å; L10-L14 HydrophobicContact CD1-CB 4.2Å; L10-L14 HydrophobicContact CD2-CD1 4.18Å; E11-L14 WeakPolarHBondContact O-CB 3.41Å; E11-L14 PolarHBondContact O-N 3Å; M12-L14 VanDerWaalsContact C-N 3.34Å; M12-L14 PolarHBondContact O-N 3.24Å; L14-E16 VanDerWaalsContact C-N 3.34Å; L14-Q17 WeakPolarHBondContact O-CB 3.49Å; L14-Q17 PolarHBondContact O-N 2.9Å; L14-V18 WeakPolarHBondContact O-CG2 3.41Å; L14-V18 PolarHBondContact O-N 3.48Å; L14-V110 HydrophobicContact CB-CG1 4.07Å; L14-V110 HydrophobicContact CD2-CG1 3.99Å; L14-S114 VanDerWaalsContact CD1-CB 3.47Å; L14-L117 HydrophobicContact CD2-CD1 3.72Å
15L73.4Confident72.3Confident49 Ų4977.6 Ų77.626%0.25737%0.368SS..Hα-helixtrans-63.9-38.3171.3-68.7174.4000112V7 L10 E11 M12 Q17 V18 D19V7-L15 HydrophobicContact CG1-CD2 4.31Å; V7-L15 WeakPolarHBondContact O-CD2 3.38Å; L10-L15 HydrophobicContact CB-CG 4.49Å; E11-L15 PolarHBondContact O-N 3.44Å; E11-L15 VanDerWaalsContact O-N 3.11Å; M12-L15 WeakPolarHBondContact O-CB 3.24Å; M12-L15 PolarHBondContact O-N 2.72Å; M12-L15 HydrophobicContact SD-CD1 4.06Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.46Å; L15-V18 CarbonylContact O-C 3.47Å; L15-V18 WeakPolarHBondContact O-CB 3.48Å; L15-V18 PolarHBondContact O-N 2.8Å; L15-V18 VanDerWaalsContact O-N 3.16Å; L15-D19 PolarHBondContact O-N 3.01Å
16E69.5Low72Confident108 Ų10872 Ų7251%0.50534%0.344SS..Hα-helixtrans-61.1-39.8171.9-74.5177.217900111.9M12 L14 V18 D19 Y20M12-E16 PolarHBondContact O-N 2.97Å; L14-E16 VanDerWaalsContact C-N 3.34Å; E16-V18 VanDerWaalsContact C-N 3.29Å; E16-V18 PolarHBondContact O-N 3.37Å; E16-D19 WeakPolarHBondContact O-CB 3.15Å; E16-D19 PolarHBondContact O-N 3.26Å; E16-Y20 WeakPolarHBondContact O-CD2 3.4Å; E16-Y20 PolarHBondContact O-N 3.22Å
17Q66.6Low72.1Confident86 Ų8669.8 Ų69.840%0.40234%0.335SS..Hα-helixtrans-64-36.7174-68.4179.31.800112.4R13 L14 L15 V110R13-Q17 PolarHBondContact O-N 3.42Å; L14-Q17 WeakPolarHBondContact O-CB 3.49Å; L14-Q17 PolarHBondContact O-N 2.9Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.46Å; Q17-V110 HydrophobicContact CB-CG1 4.46Å; Q17-V110 HydrophobicContact CB-CG2 4.32Å
18V77.6Confident72.3Confident3 Ų372.9 Ų72.92%0.01835%0.35CS..Hα-helixtrans-67.6-37.9174.81730000110.7W4 V7 L14 L15 E16 Y20 L21 Y22 V110W4-V18 HydrophobicContact CH2-CG1 4.12Å; W4-V18 HydrophobicContact CZ3-CG1 3.92Å; V7-V18 HydrophobicContact CG1-CB 4.34Å; V7-V18 HydrophobicContact CG1-CG1 3.89Å; V7-V18 HydrophobicContact CG1-CG2 3.78Å; L14-V18 WeakPolarHBondContact O-CG2 3.41Å; L14-V18 PolarHBondContact O-N 3.48Å; L15-V18 CarbonylContact O-C 3.47Å; L15-V18 WeakPolarHBondContact O-CB 3.48Å; L15-V18 PolarHBondContact O-N 2.8Å; L15-V18 VanDerWaalsContact O-N 3.16Å; E16-V18 VanDerWaalsContact C-N 3.29Å; E16-V18 PolarHBondContact O-N 3.37Å; V18-Y20 VanDerWaalsContact C-N 3.31Å; V18-Y20 PolarHBondContact O-N 3.1Å; V18-L21 WeakPolarHBondContact O-CB 3.48Å; V18-L21 WeakPolarHBondContact O-CG 3.49Å; V18-L21 PolarHBondContact O-N 3.28Å; V18-Y22 HydrophobicContact CG1-CD2 4.29Å; V18-Y22 HydrophobicContact CG1-CE2 3.79Å; V18-Y22 VanDerWaalsContact O-CD2 3.24Å; V18-Y22 WeakPolarHBondContact O-CD2 3.44Å; V18-V110 HydrophobicContact CG2-CG1 4.15Å
19D75.9Confident72.4Confident97 Ų9770.9 Ų70.952%0.51934%0.342SS..Hα-helixtrans-56.9-43.5178.1-164.440.7000111.5L15 E16 L21 Y22L15-D19 PolarHBondContact O-N 3.01Å; E16-D19 WeakPolarHBondContact O-CB 3.15Å; E16-D19 PolarHBondContact O-N 3.26Å; D19-L21 PolarHBondContact O-N 3Å; D19-Y22 PolarHBondContact O-N 2.66Å
20Y72.3Confident72.7Confident167 Ų16764.1 Ų64.166%0.65531%0.311SS*.THydrogen-bonded Turntrans-63.9-11.5175.2-68.4-67.7000115E16 V18 Y22E16-Y20 WeakPolarHBondContact O-CD2 3.4Å; E16-Y20 PolarHBondContact O-N 3.22Å; V18-Y20 VanDerWaalsContact C-N 3.31Å; V18-Y20 PolarHBondContact O-N 3.1Å; Y20-Y22 VanDerWaalsContact C-N 3.34Å
21L72.9Confident73.2Confident33 Ų3362.8 Ų62.817%0.17330%0.304CS..THydrogen-bonded Turntrans-80.8-18.5175.3-55.3178.6000112.7V18 D19 R106 E107V18-L21 WeakPolarHBondContact O-CB 3.48Å; V18-L21 WeakPolarHBondContact O-CG 3.49Å; V18-L21 PolarHBondContact O-N 3.28Å; D19-L21 PolarHBondContact O-N 3Å; L21-R106 HydrophobicContact CD1-CB 3.76Å; L21-R106 HydrophobicContact CD2-CB 3.65Å; L21-R106 VanDerWaalsContact CD2-CD 3.42Å; L21-R106 HydrophobicContact CD2-CG 4.18Å; L21-R106 HydrophobicContact CG-CB 4.38Å; L21-E107 HydrophobicContact CD1-CG 4.22Å
22Y79Confident74.2Confident22 Ų2262 Ų629%0.08630%0.3CS..  trans-107.3131.3-175.2-67.4-81.3000110.3W4 V18 D19 Y20 F26 M28 R31 E107W4-Y22 AromaticContact CH2-CE2 3.82Å; W4-Y22 HydrophobicContact CH2-CE2 3.82Å; W4-Y22 AromaticContact CZ3-CE2 3.83Å; W4-Y22 HydrophobicContact CZ3-CE2 3.83Å; W4-Y22 AromaticContact CZ3-CZ 3.95Å; V18-Y22 HydrophobicContact CG1-CD2 4.29Å; V18-Y22 HydrophobicContact CG1-CE2 3.79Å; V18-Y22 VanDerWaalsContact O-CD2 3.24Å; V18-Y22 WeakPolarHBondContact O-CD2 3.44Å; D19-Y22 PolarHBondContact O-N 2.66Å; Y20-Y22 VanDerWaalsContact C-N 3.34Å; Y22-F26 AromaticContact CD1-CD1 3.8Å; Y22-F26 HydrophobicContact CD1-CD1 3.8Å; Y22-F26 HydrophobicContact CD1-CE1 4.08Å; Y22-F26 WeakPolarHBondContact CD1-O 3.5Å; Y22-F26 AromaticContact CE1-CD1 3.61Å; Y22-F26 HydrophobicContact CE1-CD1 3.61Å; Y22-F26 AromaticContact CE1-CE1 3.42Å; Y22-F26 HydrophobicContact CE1-CE1 3.42Å; Y22-F26 VanDerWaalsContact CE1-CE1 3.42Å; Y22-F26 HydrophobicContact CE1-CZ 4.42Å; Y22-M28 HydrophobicContact CD1-CB 3.9Å; Y22-M28 HydrophobicContact CD1-CG 4.33Å; Y22-M28 HydrophobicContact CD2-CB 4.29Å; Y22-M28 HydrophobicContact CD2-CG 4.16Å; Y22-M28 HydrophobicContact CD2-SD 4.34Å; Y22-M28 HydrophobicContact CG-CB 3.74Å; Y22-M28 HydrophobicContact CG-CG 4.1Å; Y22-R31 HydrophobicContact CD1-CB 4.45Å; Y22-R31 HydrophobicContact CE1-CB 3.56Å; Y22-R31 HydrophobicContact CE1-CG 3.84Å; Y22-R31 WeakPolarHBondContact OH-CD 3.39Å; Y22-R31 WeakPolarHBondContact OH-CG 3.38Å; Y22-R31 PolarHBondContact OH-NE 3.32Å; Y22-E107 PolarHBondContact OH-OE1 2.91Å
23D73.1Confident75.1Confident75 Ų7557.4 Ų57.440%0.40129%0.287SS..BIsolated β-bridgetrans-139.4-175.5179.470-0.6000110.3N25 F26 P27D23-N25 PolarHBondContact O-N 2.92Å; D23-N25 WeakPolarHBondContact OD1-CA 3.41Å; D23-N25 VanDerWaalsContact OD1-CB 3.23Å; D23-N25 WeakPolarHBondContact OD1-CB 3.26Å; D23-N25 PolarHBondContact OD1-N 3.5Å; D23-N25 PolarHBondContact OD2-ND2 3.36Å; D23-F26 PolarHBondContact N-O 3.31Å; D23-F26 CarbonylContact O-C 3.55Å; D23-F26 PolarHBondContact O-N 2.99Å; D23-F26 VanDerWaalsContact O-N 3.16Å; D23-F26 VanDerWaalsContact O-O 3.11Å; D23-F26 PolarHBondContact OD1-N 3.47Å; D23-P27 WeakPolarHBondContact O-CA 3.41Å; D23-P27 VanDerWaalsContact O-N 3.17Å
24D69.9Low76.2Confident132 Ų13254.4 Ų54.471%0.70628%0.276SS*.THydrogen-bonded Turntrans-63.2-19.4177.5-68.2-30.2000113.1
25N69.1Low77.2Confident87 Ų8754.3 Ų54.347%0.46528%0.277SS..THydrogen-bonded Turntrans-80.7-32177-54.6-62000111.7D23 L99D23-N25 PolarHBondContact O-N 2.92Å; D23-N25 WeakPolarHBondContact OD1-CA 3.41Å; D23-N25 VanDerWaalsContact OD1-CB 3.23Å; D23-N25 WeakPolarHBondContact OD1-CB 3.26Å; D23-N25 PolarHBondContact OD1-N 3.5Å; D23-N25 PolarHBondContact OD2-ND2 3.36Å; N25-L99 HydrophobicContact CB-CD1 3.73Å
26F74.7Confident77.7Confident4 Ų454.4 Ų54.42%0.01829%0.29CS..BIsolated β-bridgetrans-13587.1170.5-172.4-122.3000111.3Y22 D23 I30 R31 F96 H100 A103Y22-F26 AromaticContact CD1-CD1 3.8Å; Y22-F26 HydrophobicContact CD1-CD1 3.8Å; Y22-F26 HydrophobicContact CD1-CE1 4.08Å; Y22-F26 WeakPolarHBondContact CD1-O 3.5Å; Y22-F26 AromaticContact CE1-CD1 3.61Å; Y22-F26 HydrophobicContact CE1-CD1 3.61Å; Y22-F26 AromaticContact CE1-CE1 3.42Å; Y22-F26 HydrophobicContact CE1-CE1 3.42Å; Y22-F26 VanDerWaalsContact CE1-CE1 3.42Å; Y22-F26 HydrophobicContact CE1-CZ 4.42Å; D23-F26 PolarHBondContact N-O 3.31Å; D23-F26 CarbonylContact O-C 3.55Å; D23-F26 PolarHBondContact O-N 2.99Å; D23-F26 VanDerWaalsContact O-N 3.16Å; D23-F26 VanDerWaalsContact O-O 3.11Å; D23-F26 PolarHBondContact OD1-N 3.47Å; F26-I30 HydrophobicContact CE2-CG2 4.47Å; F26-R31 HydrophobicContact CZ-CB 4.48Å; F26-F96 AromaticContact CD2-CE2 3.63Å; F26-F96 HydrophobicContact CD2-CE2 3.63Å; F26-F96 AromaticContact CD2-CZ 3.66Å; F26-F96 HydrophobicContact CD2-CZ 3.66Å; F26-F96 HydrophobicContact CE2-CE1 4.35Å; F26-F96 HydrophobicContact CE2-CE2 4.06Å; F26-F96 AromaticContact CE2-CZ 3.58Å; F26-F96 HydrophobicContact CE2-CZ 3.58Å; F26-H100 AromaticContact CE1-ND1 3.52Å; F26-H100 AromaticContact CE2-ND1 3.79Å; F26-H100 AromaticContact CZ-CE1 3.86Å; F26-H100 AromaticContact CZ-ND1 3.08Å; F26-H100 WeakPolarHBondContact CZ-ND1 3.32Å; F26-A103 HydrophobicContact CD1-CB 4.19Å; F26-A103 HydrophobicContact CE1-CB 4.2Å
27P80.8Confident78.4Confident14 Ų1451.4 Ų51.49%0.09127%0.274CS..  trans-66.4136.1-176.3-26.436.4000113.7D23 D29 I30 I83D23-P27 WeakPolarHBondContact O-CA 3.41Å; D23-P27 VanDerWaalsContact O-N 3.17Å; P27-D29 PolarHBondContact O-N 3.08Å; P27-I30 HydrophobicContact CB-CG1 4.41Å; P27-I30 HydrophobicContact CG-CD1 4.46Å; P27-I30 WeakPolarHBondContact O-CB 3.48Å; P27-I30 PolarHBondContact O-N 2.95Å; P27-I83 HydrophobicContact CB-CD1 3.76Å; P27-I83 HydrophobicContact CB-CG1 4Å; P27-I83 HydrophobicContact CB-CG2 4.42Å; P27-I83 HydrophobicContact CG-CD1 4.28Å; P27-I83 HydrophobicContact CG-CG1 3.95Å; P27-I83 HydrophobicContact CG-CG2 4.04Å
28M84.7Confident79.3Confident66 Ų6647.4 Ų47.433%0.32526%0.255SS..Hα-helixtrans-58.9-29.3178.9-170.8172.1114.600112.9W4 Y22 I30 R31 Q32W4-M28 HydrophobicContact CH2-CE 4.43Å; W4-M28 HydrophobicContact CH2-CG 3.73Å; W4-M28 HydrophobicContact CH2-SD 3.82Å; W4-M28 HydrophobicContact CZ2-CE 3.98Å; W4-M28 HydrophobicContact CZ2-CG 3.66Å; W4-M28 HydrophobicContact CZ2-SD 3.92Å; Y22-M28 HydrophobicContact CD1-CB 3.9Å; Y22-M28 HydrophobicContact CD1-CG 4.33Å; Y22-M28 HydrophobicContact CD2-CB 4.29Å; Y22-M28 HydrophobicContact CD2-CG 4.16Å; Y22-M28 HydrophobicContact CD2-SD 4.34Å; Y22-M28 HydrophobicContact CG-CB 3.74Å; Y22-M28 HydrophobicContact CG-CG 4.1Å; M28-I30 VanDerWaalsContact C-N 3.29Å; M28-I30 PolarHBondContact O-N 3.42Å; M28-R31 WeakPolarHBondContact O-CB 3.37Å; M28-R31 PolarHBondContact O-N 2.99Å; M28-R31 VanDerWaalsContact O-N 3.11Å; M28-Q32 WeakPolarHBondContact O-CB 3.31Å; M28-Q32 PolarHBondContact O-N 2.92Å
29D82.5Confident79.6Confident51 Ų5150.2 Ų50.227%0.27327%0.268SS..Hα-helixtrans-55.2-41.1174-71.7-82.7000112.6P27 Q32 G33 M80 I83P27-D29 PolarHBondContact O-N 3.08Å; D29-Q32 PolarHBondContact O-N 3.26Å; D29-G33 PolarHBondContact O-N 3.19Å; D29-M80 HydrophobicContact CB-CE 3.63Å; D29-M80 HydrophobicContact CB-SD 4.26Å; D29-M80 WeakPolarHBondContact O-CE 3.44Å; D29-I83 HydrophobicContact CB-CD1 3.5Å; D29-I83 VanDerWaalsContact CB-CD1 3.5Å
30I82.3Confident79.9Confident1 Ų149.5 Ų49.51%0.00527%0.271CS..Hα-helixtrans-63.6-47.6176.1-54.3177.4000109.4F26 P27 M28 Q32 G33 L34 I38 L60 L64 I83 L87 F96F26-I30 HydrophobicContact CE2-CG2 4.47Å; P27-I30 HydrophobicContact CB-CG1 4.41Å; P27-I30 HydrophobicContact CG-CD1 4.46Å; P27-I30 WeakPolarHBondContact O-CB 3.48Å; P27-I30 PolarHBondContact O-N 2.95Å; M28-I30 VanDerWaalsContact C-N 3.29Å; M28-I30 PolarHBondContact O-N 3.42Å; I30-Q32 VanDerWaalsContact C-N 3.28Å; I30-Q32 PolarHBondContact O-N 3.05Å; I30-G33 PolarHBondContact O-N 3.38Å; I30-L34 HydrophobicContact CG2-CD1 4.1Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 PolarHBondContact O-N 3.33Å; I30-I38 HydrophobicContact CG2-CD1 4.13Å; I30-L60 HydrophobicContact CG2-CD1 4.09Å; I30-L64 HydrophobicContact CD1-CD1 4.43Å; I30-L64 HydrophobicContact CG1-CD1 3.96Å; I30-L64 HydrophobicContact CG2-CD1 4.34Å; I30-I83 HydrophobicContact CD1-CG2 3.45Å; I30-I83 VanDerWaalsContact CD1-CG2 3.45Å; I30-I83 HydrophobicContact CG1-CG2 3.49Å; I30-I83 VanDerWaalsContact CG1-CG2 3.49Å; I30-L87 HydrophobicContact CD1-CD1 3.78Å; I30-L87 HydrophobicContact CD1-CD2 4.26Å; I30-L87 HydrophobicContact CD1-CG 4.4Å; I30-F96 HydrophobicContact CD1-CE2 4.47Å
31R84.4Confident80.5Confident0 Ų043.8 Ų43.80%025%0.25CS..Hα-helixtrans-57.9-42.9178.8175.974.8180100.4-4.9111.3W4 Y22 F26 M28 A35 E39 E107W4-R31 HydrophobicContact CD2-CG 3.73Å; W4-R31 HydrophobicContact CE3-CG 3.56Å; W4-R31 HydrophobicContact CG-CG 4.45Å; W4-R31 HydrophobicContact CH2-CG 3.95Å; W4-R31 HydrophobicContact CZ2-CG 4.09Å; W4-R31 HydrophobicContact CZ3-CG 3.69Å; Y22-R31 HydrophobicContact CD1-CB 4.45Å; Y22-R31 HydrophobicContact CE1-CB 3.56Å; Y22-R31 HydrophobicContact CE1-CG 3.84Å; Y22-R31 WeakPolarHBondContact OH-CD 3.39Å; Y22-R31 WeakPolarHBondContact OH-CG 3.38Å; Y22-R31 PolarHBondContact OH-NE 3.32Å; F26-R31 HydrophobicContact CZ-CB 4.48Å; M28-R31 WeakPolarHBondContact O-CB 3.37Å; M28-R31 PolarHBondContact O-N 2.99Å; M28-R31 VanDerWaalsContact O-N 3.11Å; R31-A35 WeakPolarHBondContact O-CA 2.98Å; R31-A35 VanDerWaalsContact O-CB 3.24Å; R31-A35 WeakPolarHBondContact O-CB 3.36Å; R31-A35 PolarHBondContact O-N 3.47Å; R31-E39 IonicContact CZ-OE1 2.8Å; R31-E39 VanDerWaalsContact CZ-OE1 3.3Å; R31-E39 IonicContact NH1-OE1 3.66Å; R31-E39 PolarHBondContact NH1-OE1 3.16Å; R31-E39 IonicContact NH2-OE1 3.82Å; R31-E39 PolarHBondContact NH2-OE1 3.44Å; R31-E107 IonicContact CZ-OE1 3.54Å; R31-E107 IonicContact CZ-OE2 2.73Å; R31-E107 IonicContact NE-OE1 3.33Å; R31-E107 PolarHBondContact NE-OE1 2.75Å; R31-E107 IonicContact NE-OE2 3.68Å; R31-E107 IonicContact NH2-OE1 3.45Å; R31-E107 IonicContact NH2-OE2 3.64Å; R31-E107 PolarHBondContact NH2-OE2 3.47Å
32Q85.3Confident80.8Confident91 Ų9146.5 Ų46.543%0.42527%0.265SS..Hα-helixtrans-70.6-48.9-179.4177.4170.9-24.500112.3M28 D29 I30M28-Q32 WeakPolarHBondContact O-CB 3.31Å; M28-Q32 PolarHBondContact O-N 2.92Å; D29-Q32 PolarHBondContact O-N 3.26Å; I30-Q32 VanDerWaalsContact C-N 3.28Å; I30-Q32 PolarHBondContact O-N 3.05Å
33G79.9Confident80.8Confident35 Ų3546.4 Ų46.436%0.36126%0.264SS..Hα-helixtrans-70.6-30.8-176.800000113.7D29 I30D29-G33 PolarHBondContact O-N 3.19Å; I30-G33 PolarHBondContact O-N 3.38Å
34L83.8Confident81Confident10 Ų1046.6 Ų46.65%0.05227%0.265CS..THydrogen-bonded Turntrans-116.415.1-174.1-64.6172.2000113.9I30 G36 W37 I38 L60 Q63 L64 V67I30-L34 HydrophobicContact CG2-CD1 4.1Å; I30-L34 WeakPolarHBondContact O-CB 3.42Å; I30-L34 PolarHBondContact O-N 3.33Å; L34-G36 VanDerWaalsContact C-N 3.29Å; L34-G36 PolarHBondContact O-N 3.06Å; L34-G36 VanDerWaalsContact O-N 3.1Å; L34-W37 PolarHBondContact O-N 3.03Å; L34-I38 HydrophobicContact CB-CD1 3.75Å; L34-I38 HydrophobicContact CB-CG1 3.91Å; L34-I38 WeakPolarHBondContact O-CB 3.47Å; L34-I38 WeakPolarHBondContact O-CG1 3.47Å; L34-I38 PolarHBondContact O-N 2.84Å; L34-L60 HydrophobicContact CD1-CD1 3.62Å; L34-Q63 HydrophobicContact CD1-CB 4.25Å; L34-Q63 HydrophobicContact CD2-CB 3.63Å; L34-L64 HydrophobicContact CD1-CB 4.09Å; L34-L64 HydrophobicContact CD1-CD1 4.45Å; L34-V67 HydrophobicContact CD2-CG2 3.57Å; L34-V67 HydrophobicContact CG-CG2 4.42Å
35A84.4Confident81.4Confident9 Ų942.8 Ų42.87%0.07425%0.249CC..Hα-helixtrans-45.7-49.3-174.500000113.9W4 R31 E39W4-A35 HydrophobicContact CB-CB 3.7Å; W4-A35 HydrophobicContact CG-CB 4.15Å; R31-A35 WeakPolarHBondContact O-CA 2.98Å; R31-A35 VanDerWaalsContact O-CB 3.24Å; R31-A35 WeakPolarHBondContact O-CB 3.36Å; R31-A35 PolarHBondContact O-N 3.47Å; A35-E39 WeakPolarHBondContact O-CB 3.43Å; A35-E39 VanDerWaalsContact O-CD 3.32Å; A35-E39 WeakPolarHBondContact O-CG 3.36Å; A35-E39 PolarHBondContact O-N 3.34Å
36G82.7Confident81.7Confident52 Ų5238.7 Ų38.754%0.53623%0.227SC..Hα-helixtrans-69-34.1-17800000114L34 S40L34-G36 VanDerWaalsContact C-N 3.29Å; L34-G36 PolarHBondContact O-N 3.06Å; L34-G36 VanDerWaalsContact O-N 3.1Å; G36-S40 PolarHBondContact O-OG 3.45Å
37W85.6Confident81.7Confident45 Ų4540.9 Ų40.917%0.1724%0.241CC..Hα-helixtrans-73.6-47.3176.9179.379.9000110.5L34 E39 S40 Q41 W43 N59 L60 Q63L34-W37 PolarHBondContact O-N 3.03Å; W37-E39 PolarHBondContact O-N 3.02Å; W37-S40 PolarHBondContact O-N 2.72Å; W37-S40 VanDerWaalsContact O-N 3.12Å; W37-S40 PolarHBondContact O-OG 3.42Å; W37-Q41 HydrophobicContact CD2-CG 4.38Å; W37-Q41 HydrophobicContact CE3-CG 4.44Å; W37-Q41 HydrophobicContact CH2-CG 4.08Å; W37-Q41 HydrophobicContact CZ2-CG 4Å; W37-Q41 HydrophobicContact CZ3-CG 4.29Å; W37-Q41 WeakPolarHBondContact O-CG 3.42Å; W37-Q41 PolarHBondContact O-NE2 3.44Å; W37-Q41 VanDerWaalsContact O-NE2 3.11Å; W37-W43 HydrophobicContact CH2-CH2 4.31Å; W37-W43 HydrophobicContact CZ3-CH2 4.06Å; W37-W43 HydrophobicContact CZ3-CZ2 4.31Å; W37-N59 HydrophobicContact CH2-CB 4.22Å; W37-N59 HydrophobicContact CZ2-CB 3.69Å; W37-L60 HydrophobicContact CE3-CD1 4.03Å; W37-L60 HydrophobicContact CH2-CB 3.78Å; W37-L60 HydrophobicContact CH2-CD1 4.4Å; W37-L60 HydrophobicContact CZ3-CB 3.75Å; W37-L60 HydrophobicContact CZ3-CD1 3.5Å; W37-L60 HydrophobicContact CZ3-CG 4.23Å; W37-Q63 HydrophobicContact CD2-CG 3.92Å; W37-Q63 HydrophobicContact CG-CG 4Å; W37-Q63 HydrophobicContact CZ2-CG 4.49Å
38I83.4Confident81.6Confident2 Ų247.1 Ų47.11%0.0127%0.274CS..Hα-helixtrans-56.9-48.8179.5-72.5176.9000111.1I30 L34 S40 Q41 W43 H100I30-I38 HydrophobicContact CG2-CD1 4.13Å; L34-I38 HydrophobicContact CB-CD1 3.75Å; L34-I38 HydrophobicContact CB-CG1 3.91Å; L34-I38 WeakPolarHBondContact O-CB 3.47Å; L34-I38 WeakPolarHBondContact O-CG1 3.47Å; L34-I38 PolarHBondContact O-N 2.84Å; I38-S40 PolarHBondContact O-N 2.85Å; I38-S40 VanDerWaalsContact O-N 3.14Å; I38-Q41 PolarHBondContact O-N 3.12Å; I38-W43 HydrophobicContact CB-CZ2 4.41Å; I38-W43 HydrophobicContact CG1-CZ2 4.5Å; I38-W43 HydrophobicContact CG2-CZ2 4.03Å; I38-W43 PolarHBondContact O-NE1 3.3Å; I38-H100 WeakPolarHBondContact CG2-CE1 3.44Å; I38-H100 WeakPolarHBondContact CG2-NE2 3.21Å
39E84.1Confident81.3Confident62 Ų6247.2 Ų47.229%0.2928%0.276SS..THydrogen-bonded Turntrans-68.6-12.7-177.9-69.7166.2-160.300113.8S2 Q3 W4 R31 A35 W37S2-E39 WeakPolarHBondContact CA-OE2 3.27Å; S2-E39 WeakPolarHBondContact CB-OE2 3.39Å; Q3-E39 HydrophobicContact CB-CG 4.35Å; Q3-E39 WeakPolarHBondContact CB-OE1 3.25Å; Q3-E39 VanDerWaalsContact N-CD 3.28Å; Q3-E39 PolarHBondContact N-OE1 3.41Å; Q3-E39 PolarHBondContact N-OE2 3.33Å; W4-E39 PolarHBondContact N-OE1 3.16Å; R31-E39 IonicContact CZ-OE1 2.8Å; R31-E39 VanDerWaalsContact CZ-OE1 3.3Å; R31-E39 IonicContact NH1-OE1 3.66Å; R31-E39 PolarHBondContact NH1-OE1 3.16Å; R31-E39 IonicContact NH2-OE1 3.82Å; R31-E39 PolarHBondContact NH2-OE1 3.44Å; A35-E39 WeakPolarHBondContact O-CB 3.43Å; A35-E39 VanDerWaalsContact O-CD 3.32Å; A35-E39 WeakPolarHBondContact O-CG 3.36Å; A35-E39 PolarHBondContact O-N 3.34Å; W37-E39 PolarHBondContact O-N 3.02Å
40S83.8Confident81.2Confident82 Ų8252.4 Ų52.457%0.57330%0.298SS*.THydrogen-bonded Turntrans-93.9-6.6179.8690000114.5G36 W37 I38G36-S40 PolarHBondContact O-OG 3.45Å; W37-S40 PolarHBondContact O-N 2.72Å; W37-S40 VanDerWaalsContact O-N 3.12Å; W37-S40 PolarHBondContact O-OG 3.42Å; I38-S40 PolarHBondContact O-N 2.85Å; I38-S40 VanDerWaalsContact O-N 3.14Å
41Q84.1Confident81.1Confident47 Ų4756 Ų5622%0.2232%0.323CS..SBendtrans-89.1148.9-179.5-52-49.6-5900111.6W37 I38 W43 L56W37-Q41 HydrophobicContact CD2-CG 4.38Å; W37-Q41 HydrophobicContact CE3-CG 4.44Å; W37-Q41 HydrophobicContact CH2-CG 4.08Å; W37-Q41 HydrophobicContact CZ2-CG 4Å; W37-Q41 HydrophobicContact CZ3-CG 4.29Å; W37-Q41 WeakPolarHBondContact O-CG 3.42Å; W37-Q41 PolarHBondContact O-NE2 3.44Å; W37-Q41 VanDerWaalsContact O-NE2 3.11Å; I38-Q41 PolarHBondContact O-N 3.12Å; Q41-W43 HydrophobicContact CB-CD2 4.05Å; Q41-W43 HydrophobicContact CB-CE3 4.41Å; Q41-W43 HydrophobicContact CB-CH2 4.42Å; Q41-W43 HydrophobicContact CB-CZ2 3.94Å; Q41-W43 HydrophobicContact CG-CH2 4.35Å; Q41-W43 HydrophobicContact CG-CZ2 3.99Å; Q41-W43 PolarHBondContact O-N 2.96Å; Q41-L56 HydrophobicContact CB-CD2 4.4Å; Q41-L56 HydrophobicContact CG-CD2 4.28Å
42D79.2Confident80.9Confident90 Ų9059.6 Ų59.648%0.48134%0.341SS..  trans-87.484.5173.3-176.27.7000110.7D44 S45 A46D42-D44 PolarHBondContact OD1-N 3.31Å; D42-S45 VanDerWaalsContact CG-OG 3.32Å; D42-S45 PolarHBondContact OD1-N 2.89Å; D42-S45 VanDerWaalsContact OD2-CB 3.27Å; D42-S45 WeakPolarHBondContact OD2-CB 3.45Å; D42-S45 PolarHBondContact OD2-OG 3.04Å; D42-A46 PolarHBondContact O-N 3.28Å
43W79.3Confident80.6Confident19 Ų1955.3 Ų55.37%0.07232%0.321CS..Hα-helixtrans-73-28.7-177.1-60.4115.4000113.5W37 I38 Q41 A46 V47 L56 L97 H100 L101W37-W43 HydrophobicContact CH2-CH2 4.31Å; W37-W43 HydrophobicContact CZ3-CH2 4.06Å; W37-W43 HydrophobicContact CZ3-CZ2 4.31Å; I38-W43 HydrophobicContact CB-CZ2 4.41Å; I38-W43 HydrophobicContact CG1-CZ2 4.5Å; I38-W43 HydrophobicContact CG2-CZ2 4.03Å; I38-W43 PolarHBondContact O-NE1 3.3Å; Q41-W43 HydrophobicContact CB-CD2 4.05Å; Q41-W43 HydrophobicContact CB-CE3 4.41Å; Q41-W43 HydrophobicContact CB-CH2 4.42Å; Q41-W43 HydrophobicContact CB-CZ2 3.94Å; Q41-W43 HydrophobicContact CG-CH2 4.35Å; Q41-W43 HydrophobicContact CG-CZ2 3.99Å; Q41-W43 PolarHBondContact O-N 2.96Å; W43-A46 PolarHBondContact O-N 3.02Å; W43-V47 PolarHBondContact O-N 3.37Å; W43-V47 VanDerWaalsContact O-N 3.11Å; W43-L56 HydrophobicContact CE3-CD1 3.84Å; W43-L56 HydrophobicContact CZ3-CB 4.11Å; W43-L56 HydrophobicContact CZ3-CD1 3.89Å; W43-L97 HydrophobicContact CD2-CD2 4.27Å; W43-L97 HydrophobicContact CE3-CD2 3.09Å; W43-L97 HydrophobicContact CZ3-CD2 3.29Å; W43-H100 AromaticContact CD1-CD2 3.69Å; W43-H100 AromaticContact CD1-NE2 3.78Å; W43-H100 AromaticContact CD2-CD2 3.7Å; W43-H100 AromaticContact CE2-CD2 3.34Å; W43-H100 AromaticContact CE2-NE2 3.59Å; W43-H100 AromaticContact CG-CD2 3.86Å; W43-H100 AromaticContact CZ2-CD2 3.81Å; W43-H100 AromaticContact NE1-CD2 3.38Å; W43-H100 PolarHBondContact NE1-CD2 3.03Å; W43-H100 AromaticContact NE1-NE2 3.25Å; W43-H100 PolarHBondContact NE1-NE2 2.72Å; W43-L101 HydrophobicContact CB-CD1 4.35Å; W43-L101 HydrophobicContact CB-CD2 3.35Å; W43-L101 HydrophobicContact CB-CG 3.76Å; W43-L101 HydrophobicContact CG-CD2 4.29Å
44D77.2Confident80.6Confident79 Ų7956 Ų5642%0.42232%0.32SS..Hα-helixtrans-68.2-37.6-178.6-71-63.3000111.1D42 N48 R105D42-D44 PolarHBondContact OD1-N 3.31Å; D44-N48 PolarHBondContact O-ND2 3.36Å; D44-R105 IonicContact OD1-CZ 2.79Å; D44-R105 IonicContact OD1-NH2 2.88Å; D44-R105 PolarHBondContact OD1-NH2 3.13Å
45S77.6Confident80.6Confident52 Ų5259.5 Ų59.536%0.36434%0.342SS..Hα-helixtrans-69.4-38.8171.8-63.10000112.1D42 V47 N48 D49D42-S45 VanDerWaalsContact CG-OG 3.32Å; D42-S45 PolarHBondContact OD1-N 2.89Å; D42-S45 VanDerWaalsContact OD2-CB 3.27Å; D42-S45 WeakPolarHBondContact OD2-CB 3.45Å; D42-S45 PolarHBondContact OD2-OG 3.04Å; S45-V47 PolarHBondContact O-N 2.99Å; S45-N48 PolarHBondContact O-N 3.5Å; S45-D49 PolarHBondContact O-N 3.23Å
46A76.1Confident80.5Confident1 Ų159.7 Ų59.71%0.00834%0.342CS..Hα-helixtrans-71.2-25.7-176.200000114.7D42 W43 N48 D49 M52 L56 L97D42-A46 PolarHBondContact O-N 3.28Å; W43-A46 PolarHBondContact O-N 3.02Å; A46-N48 VanDerWaalsContact C-N 3.26Å; A46-N48 PolarHBondContact O-N 3.48Å; A46-D49 VanDerWaalsContact O-O 3.1Å; A46-M52 HydrophobicContact CB-CG 3.91Å; A46-M52 HydrophobicContact CB-SD 4.01Å; A46-L56 HydrophobicContact CB-CD1 3.41Å; A46-L56 VanDerWaalsContact CB-CD1 3.41Å; A46-L97 HydrophobicContact CB-CD1 4.4Å; A46-L97 HydrophobicContact CB-CD2 3.95Å
47V75.4Confident80.5Confident51 Ų5158.5 Ų58.531%0.30932%0.322SS..Hα-helixtrans-68.6-28.1175165.50000112.4W43 S45 L97 V98 L101W43-V47 PolarHBondContact O-N 3.37Å; W43-V47 VanDerWaalsContact O-N 3.11Å; S45-V47 PolarHBondContact O-N 2.99Å; V47-L97 HydrophobicContact CG2-CB 3.72Å; V47-V98 HydrophobicContact CG1-CG2 4.13Å; V47-V98 HydrophobicContact CG2-CG2 4.34Å; V47-L101 HydrophobicContact CB-CD1 4.22Å; V47-L101 HydrophobicContact CG2-CD1 3.44Å; V47-L101 VanDerWaalsContact CG2-CD1 3.44Å; V47-L101 HydrophobicContact CG2-CG 4.33Å
48N76.8Confident80.4Confident145 Ų14560 Ų6078%0.77534%0.336SS*.Hα-helixtrans-92.8-9-177.7-61.8-55.2000113.3D44 S45 A46D44-N48 PolarHBondContact O-ND2 3.36Å; S45-N48 PolarHBondContact O-N 3.5Å; A46-N48 VanDerWaalsContact C-N 3.26Å; A46-N48 PolarHBondContact O-N 3.48Å
49D79.6Confident80.4Confident68 Ų6863.2 Ų63.236%0.36435%0.353SS..  trans-129.3108.8-178.3-178.5-12.5000111.2S45 A46 S51 M52 A53S45-D49 PolarHBondContact O-N 3.23Å; A46-D49 VanDerWaalsContact O-O 3.1Å; D49-S51 PolarHBondContact O-N 3.24Å; D49-S51 WeakPolarHBondContact OD1-CB 3.43Å; D49-S51 PolarHBondContact OD1-N 2.98Å; D49-S51 PolarHBondContact OD1-OG 3.02Å; D49-S51 PolarHBondContact OD2-OG 3.34Å; D49-M52 HydrophobicContact CB-CB 3.99Å; D49-M52 PolarHBondContact O-N 2.9Å; D49-M52 PolarHBondContact OD1-N 3.02Å; D49-A53 WeakPolarHBondContact O-CB 3.3Å; D49-A53 PolarHBondContact O-N 2.98Å
50E79.3Confident80.5Confident159 Ų15960.3 Ų60.374%0.74334%0.34SS*.Hα-helixtrans-62.3-28.9-178.1-169.2175.6-16900113.6A53 S54E50-A53 WeakPolarHBondContact O-CB 3.3Å; E50-S54 WeakPolarHBondContact O-CB 3.39Å; E50-S54 PolarHBondContact O-N 3.4Å; E50-S54 VanDerWaalsContact O-N 3.08Å; E50-S54 PolarHBondContact O-OG 3.34Å
51S80.1Confident80.4Confident77 Ų7758.7 Ų58.754%0.53832%0.323SS..Hα-helixtrans-74.1-44.3178.674.10000111D49 A53 S54 V55D49-S51 PolarHBondContact O-N 3.24Å; D49-S51 WeakPolarHBondContact OD1-CB 3.43Å; D49-S51 PolarHBondContact OD1-N 2.98Å; D49-S51 PolarHBondContact OD1-OG 3.02Å; D49-S51 PolarHBondContact OD2-OG 3.34Å; S51-A53 VanDerWaalsContact C-N 3.34Å; S51-S54 PolarHBondContact O-N 2.82Å; S51-V55 WeakPolarHBondContact O-CG2 3.21Å; S51-V55 PolarHBondContact O-N 2.94Å; S51-V55 VanDerWaalsContact O-N 3.13Å
52M80.4Confident80.5Confident75 Ų7560.4 Ų60.437%0.36934%0.337SS..Hα-helixtrans-64.1-41.2173.8-174.8177.2-76.600111A46 D49 S54 V55 L56A46-M52 HydrophobicContact CB-CG 3.91Å; A46-M52 HydrophobicContact CB-SD 4.01Å; D49-M52 HydrophobicContact CB-CB 3.99Å; D49-M52 PolarHBondContact O-N 2.9Å; D49-M52 PolarHBondContact OD1-N 3.02Å; M52-S54 VanDerWaalsContact C-N 3.34Å; M52-S54 PolarHBondContact O-N 2.75Å; M52-V55 PolarHBondContact O-N 3.42Å; M52-L56 HydrophobicContact CG-CD1 4.38Å; M52-L56 WeakPolarHBondContact O-CG 3.32Å; M52-L56 PolarHBondContact O-N 3.35Å
53A79.6Confident80.8Confident2 Ų258.8 Ų58.82%0.01733%0.327CS..Hα-helixtrans-55-48.2174.600000112.6D49 E50 S51 L56 F57 P93 L97D49-A53 WeakPolarHBondContact O-CB 3.3Å; D49-A53 PolarHBondContact O-N 2.98Å; E50-A53 WeakPolarHBondContact O-CB 3.3Å; S51-A53 VanDerWaalsContact C-N 3.34Å; A53-L56 PolarHBondContact O-N 3.01Å; A53-F57 WeakPolarHBondContact O-CB 3.4Å; A53-F57 PolarHBondContact O-N 3.43Å; A53-P93 HydrophobicContact CB-CB 4.43Å; A53-L97 VanDerWaalsContact CA-CD1 3.42Å; A53-L97 HydrophobicContact CB-CD1 3.12Å
54S80.3Confident81Confident48 Ų4858 Ų5834%0.33632%0.324SS..Hα-helixtrans-66-38-179.3-61.30000112.4E50 S51 M52 T58E50-S54 WeakPolarHBondContact O-CB 3.39Å; E50-S54 PolarHBondContact O-N 3.4Å; E50-S54 VanDerWaalsContact O-N 3.08Å; E50-S54 PolarHBondContact O-OG 3.34Å; S51-S54 PolarHBondContact O-N 2.82Å; M52-S54 VanDerWaalsContact C-N 3.34Å; M52-S54 PolarHBondContact O-N 2.75Å; S54-T58 PolarHBondContact O-N 3.09Å; S54-T58 PolarHBondContact O-OG1 3.08Å
55V84Confident81.4Confident84 Ų8457 Ų5751%0.50932%0.317SS..Hα-helixtrans-66.8-47.4176.1171.60000111.1S51 M52 F57 T58 N59S51-V55 WeakPolarHBondContact O-CG2 3.21Å; S51-V55 PolarHBondContact O-N 2.94Å; S51-V55 VanDerWaalsContact O-N 3.13Å; M52-V55 PolarHBondContact O-N 3.42Å; V55-F57 VanDerWaalsContact C-N 3.3Å; V55-F57 PolarHBondContact O-N 3.15Å; V55-T58 PolarHBondContact O-N 3.31Å; V55-N59 WeakPolarHBondContact O-CB 3.47Å; V55-N59 VanDerWaalsContact O-CG 3.31Å; V55-N59 PolarHBondContact O-N 3.44Å; V55-N59 PolarHBondContact O-ND2 2.93Å
56L82.4Confident81.8Confident14 Ų1460 Ų607%0.07332%0.323CS..Hα-helixtrans-63.2-37.7178-72.4-178.2000112.1Q41 W43 A46 M52 A53 N59 L60Q41-L56 HydrophobicContact CB-CD2 4.4Å; Q41-L56 HydrophobicContact CG-CD2 4.28Å; W43-L56 HydrophobicContact CE3-CD1 3.84Å; W43-L56 HydrophobicContact CZ3-CB 4.11Å; W43-L56 HydrophobicContact CZ3-CD1 3.89Å; A46-L56 HydrophobicContact CB-CD1 3.41Å; A46-L56 VanDerWaalsContact CB-CD1 3.41Å; M52-L56 HydrophobicContact CG-CD1 4.38Å; M52-L56 WeakPolarHBondContact O-CG 3.32Å; M52-L56 PolarHBondContact O-N 3.35Å; A53-L56 PolarHBondContact O-N 3.01Å; L56-N59 PolarHBondContact O-N 3.17Å; L56-L60 WeakPolarHBondContact O-CB 3.48Å; L56-L60 PolarHBondContact O-N 3.02Å
57F82.3Confident82.3Confident26 Ų2661.5 Ų61.511%0.11433%0.332CS..Hα-helixtrans-64.2-43.1175.6-172.9-103.1000112.4A53 V55 N59 L60 Q61 L87 P93 F96A53-F57 WeakPolarHBondContact O-CB 3.4Å; A53-F57 PolarHBondContact O-N 3.43Å; V55-F57 VanDerWaalsContact C-N 3.3Å; V55-F57 PolarHBondContact O-N 3.15Å; F57-N59 VanDerWaalsContact C-N 3.33Å; F57-N59 PolarHBondContact O-N 3.29Å; F57-L60 WeakPolarHBondContact O-CB 3.47Å; F57-L60 PolarHBondContact O-N 3.39Å; F57-Q61 HydrophobicContact CE1-CG 4.42Å; F57-Q61 WeakPolarHBondContact O-CG 3.42Å; F57-Q61 PolarHBondContact O-N 3.14Å; F57-L87 HydrophobicContact CZ-CB 4.37Å; F57-L87 WeakPolarHBondContact CZ-O 3.28Å; F57-P93 HydrophobicContact CB-CB 3.94Å; F57-P93 HydrophobicContact CB-CG 4.42Å; F57-P93 HydrophobicContact CD1-CG 4.28Å; F57-P93 HydrophobicContact CG-CB 4.12Å; F57-P93 HydrophobicContact CG-CG 4.32Å; F57-F96 HydrophobicContact CD2-CB 4.4Å; F57-F96 HydrophobicContact CD2-CD1 4.24Å; F57-F96 HydrophobicContact CD2-CG 4.28Å; F57-F96 HydrophobicContact CE2-CB 4.33Å; F57-F96 HydrophobicContact CE2-CD2 4.47Å; F57-F96 HydrophobicContact CE2-CG 4.17Å
58T82.8Confident82.7Confident76 Ų7661.6 Ų61.647%0.46633%0.327SS..Hα-helixtrans-64.4-39.6175.3-53.60000111.5S54 V55 Q61 T62S54-T58 PolarHBondContact O-N 3.09Å; S54-T58 PolarHBondContact O-OG1 3.08Å; V55-T58 PolarHBondContact O-N 3.31Å; T58-Q61 PolarHBondContact O-N 2.97Å; T58-T62 PolarHBondContact O-N 3.5Å; T58-T62 VanDerWaalsContact O-N 3.1Å; T58-T62 PolarHBondContact O-OG1 3.33Å
59N84.9Confident83Confident70 Ų7058.4 Ų58.437%0.37432%0.316SS..Hα-helixtrans-65.1-41.1175.3-73.9-22.5000111.8W37 V55 L56 F57 Q61 T62 Q63W37-N59 HydrophobicContact CH2-CB 4.22Å; W37-N59 HydrophobicContact CZ2-CB 3.69Å; V55-N59 WeakPolarHBondContact O-CB 3.47Å; V55-N59 VanDerWaalsContact O-CG 3.31Å; V55-N59 PolarHBondContact O-N 3.44Å; V55-N59 PolarHBondContact O-ND2 2.93Å; L56-N59 PolarHBondContact O-N 3.17Å; F57-N59 VanDerWaalsContact C-N 3.33Å; F57-N59 PolarHBondContact O-N 3.29Å; N59-Q61 PolarHBondContact O-N 2.85Å; N59-T62 WeakPolarHBondContact O-CB 3.41Å; N59-T62 PolarHBondContact O-N 3.42Å; N59-Q63 WeakPolarHBondContact O-CG 3.25Å; N59-Q63 PolarHBondContact O-N 3.33Å
60L84.3Confident83.3Confident2 Ų261.7 Ų61.71%0.0133%0.329CS..Hα-helixtrans-58.8-47.9175.1175.774.1000111.1I30 L34 W37 L56 F57 T62 Q63 L64 F96I30-L60 HydrophobicContact CG2-CD1 4.09Å; L34-L60 HydrophobicContact CD1-CD1 3.62Å; W37-L60 HydrophobicContact CE3-CD1 4.03Å; W37-L60 HydrophobicContact CH2-CB 3.78Å; W37-L60 HydrophobicContact CH2-CD1 4.4Å; W37-L60 HydrophobicContact CZ3-CB 3.75Å; W37-L60 HydrophobicContact CZ3-CD1 3.5Å; W37-L60 HydrophobicContact CZ3-CG 4.23Å; L56-L60 WeakPolarHBondContact O-CB 3.48Å; L56-L60 PolarHBondContact O-N 3.02Å; F57-L60 WeakPolarHBondContact O-CB 3.47Å; F57-L60 PolarHBondContact O-N 3.39Å; L60-T62 PolarHBondContact O-N 3.36Å; L60-Q63 PolarHBondContact O-N 2.99Å; L60-L64 WeakPolarHBondContact O-CB 3.41Å; L60-L64 PolarHBondContact O-N 3.1Å; L60-F96 HydrophobicContact CD2-CD1 4.18Å; L60-F96 HydrophobicContact CD2-CE1 3.26Å; L60-F96 HydrophobicContact CD2-CE2 4.27Å; L60-F96 HydrophobicContact CD2-CZ 3.3Å
61Q82.7Confident83.6Confident47 Ų4757 Ų5722%0.2231%0.307CS..Hα-helixtrans-58.1-39.7177.1-71.4-176.3-17.600111.8F57 T58 N59 L64 E65F57-Q61 HydrophobicContact CE1-CG 4.42Å; F57-Q61 WeakPolarHBondContact O-CG 3.42Å; F57-Q61 PolarHBondContact O-N 3.14Å; T58-Q61 PolarHBondContact O-N 2.97Å; N59-Q61 PolarHBondContact O-N 2.85Å; Q61-L64 PolarHBondContact O-N 2.75Å; Q61-E65 PolarHBondContact O-N 3.11Å
62T85.9Confident83.8Confident83 Ų8362.4 Ų62.451%0.50932%0.324SS..Hα-helixtrans-66.5-42.1177.3-55.20000111.9T58 N59 L60 E65 K66T58-T62 PolarHBondContact O-N 3.5Å; T58-T62 VanDerWaalsContact O-N 3.1Å; T58-T62 PolarHBondContact O-OG1 3.33Å; N59-T62 WeakPolarHBondContact O-CB 3.41Å; N59-T62 PolarHBondContact O-N 3.42Å; L60-T62 PolarHBondContact O-N 3.36Å; T62-E65 PolarHBondContact O-N 2.8Å; T62-K66 PolarHBondContact O-N 3.28Å; T62-K66 VanDerWaalsContact O-N 3.1Å
63Q84.9Confident84.2Confident57 Ų5762.5 Ų62.527%0.26633%0.326SS..Hα-helixtrans-67.3-38.7176.2-66-59.6-30.200111.9L34 W37 N59 L60 K66 V67L34-Q63 HydrophobicContact CD1-CB 4.25Å; L34-Q63 HydrophobicContact CD2-CB 3.63Å; W37-Q63 HydrophobicContact CD2-CG 3.92Å; W37-Q63 HydrophobicContact CG-CG 4Å; W37-Q63 HydrophobicContact CZ2-CG 4.49Å; N59-Q63 WeakPolarHBondContact O-CG 3.25Å; N59-Q63 PolarHBondContact O-N 3.33Å; L60-Q63 PolarHBondContact O-N 2.99Å; Q63-K66 WeakPolarHBondContact O-CB 3.46Å; Q63-K66 PolarHBondContact O-N 3.24Å; Q63-V67 WeakPolarHBondContact O-CG2 3.5Å; Q63-V67 PolarHBondContact O-N 2.86Å
64L84.6Confident84.6Confident2 Ų270.3 Ų70.31%0.0136%0.36CS..Hα-helixtrans-64.9-39.7177.3-167.3136.8000111.6I30 L34 L60 Q61 K66 V67 R68 I83 Q84 L87I30-L64 HydrophobicContact CD1-CD1 4.43Å; I30-L64 HydrophobicContact CG1-CD1 3.96Å; I30-L64 HydrophobicContact CG2-CD1 4.34Å; L34-L64 HydrophobicContact CD1-CB 4.09Å; L34-L64 HydrophobicContact CD1-CD1 4.45Å; L60-L64 WeakPolarHBondContact O-CB 3.41Å; L60-L64 PolarHBondContact O-N 3.1Å; Q61-L64 PolarHBondContact O-N 2.75Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-K66 PolarHBondContact O-N 2.98Å; L64-V67 PolarHBondContact O-N 3.06Å; L64-R68 VanDerWaalsContact O-CB 3.23Å; L64-R68 WeakPolarHBondContact O-CB 3.37Å; L64-R68 PolarHBondContact O-N 3.1Å; L64-I83 HydrophobicContact CD1-CG2 4.34Å; L64-Q84 HydrophobicContact CD2-CB 3.59Å; L64-Q84 HydrophobicContact CD2-CG 3.83Å; L64-L87 HydrophobicContact CD1-CD1 4.28Å
65E85.4Confident84.9Confident59 Ų5973 Ų7328%0.27637%0.37SS..Hα-helixtrans-62.2-40.4172.7-175.957.6-130.400112.2Q61 T62 R68 S69 Q84Q61-E65 PolarHBondContact O-N 3.11Å; T62-E65 PolarHBondContact O-N 2.8Å; E65-R68 PolarHBondContact O-N 3.42Å; E65-R68 IonicContact OE1-CZ 3.71Å; E65-R68 VanDerWaalsContact OE1-CZ 3.23Å; E65-R68 IonicContact OE1-NE 3.68Å; E65-R68 PolarHBondContact OE1-NE 3.49Å; E65-R68 IonicContact OE1-NH2 2.93Å; E65-R68 PolarHBondContact OE1-NH2 3.38Å; E65-R68 IonicContact OE2-CZ 2.66Å; E65-R68 IonicContact OE2-NE 3.21Å; E65-R68 PolarHBondContact OE2-NE 3.03Å; E65-R68 IonicContact OE2-NH1 2.71Å; E65-R68 IonicContact OE2-NH2 2.68Å; E65-R68 PolarHBondContact OE2-NH2 3.36Å; E65-S69 WeakPolarHBondContact O-CB 3.28Å; E65-S69 PolarHBondContact O-N 3.25Å; E65-S69 PolarHBondContact O-OG 3.44Å; E65-S69 PolarHBondContact OE1-OG 3.06Å; E65-Q84 PolarHBondContact OE2-NE2 3.41Å; E65-Q84 PolarHBondContact OE2-OE1 3.18Å
66K86.6Confident84.9Confident115 Ų11572.2 Ų72.250%0.536%0.361SS..Hα-helixtrans-64.6-46.9177.5-173.7180177.8-176.50111.8T62 Q63 L64 S69 Q70T62-K66 PolarHBondContact O-N 3.28Å; T62-K66 VanDerWaalsContact O-N 3.1Å; Q63-K66 WeakPolarHBondContact O-CB 3.46Å; Q63-K66 PolarHBondContact O-N 3.24Å; L64-K66 VanDerWaalsContact C-N 3.33Å; L64-K66 PolarHBondContact O-N 2.98Å; K66-S69 PolarHBondContact O-N 3.44Å; K66-Q70 WeakPolarHBondContact O-CG 3.47Å; K66-Q70 PolarHBondContact O-N 3.44Å
67V84.9Confident85Confident32 Ų3278 Ų7819%0.19438%0.382CS..Hα-helixtrans-62.9-46.2176.7172.90000110.4L34 Q63 L64 S69 Q70 E71L34-V67 HydrophobicContact CD2-CG2 3.57Å; L34-V67 HydrophobicContact CG-CG2 4.42Å; Q63-V67 WeakPolarHBondContact O-CG2 3.5Å; Q63-V67 PolarHBondContact O-N 2.86Å; L64-V67 PolarHBondContact O-N 3.06Å; V67-S69 VanDerWaalsContact C-N 3.28Å; V67-S69 PolarHBondContact O-N 2.98Å; V67-Q70 PolarHBondContact O-N 2.95Å; V67-Q70 VanDerWaalsContact O-N 3.09Å; V67-E71 PolarHBondContact O-N 3.43Å
68R84.1Confident85.2Confident53 Ų5381 Ų8120%0.240%0.395CS..Hα-helixtrans-57.9-38.5177-173.5-171.378.9159.27.8113L64 E65 Q70 R77 M80L64-R68 VanDerWaalsContact O-CB 3.23Å; L64-R68 WeakPolarHBondContact O-CB 3.37Å; L64-R68 PolarHBondContact O-N 3.1Å; E65-R68 PolarHBondContact O-N 3.42Å; E65-R68 IonicContact OE1-CZ 3.71Å; E65-R68 VanDerWaalsContact OE1-CZ 3.23Å; E65-R68 IonicContact OE1-NE 3.68Å; E65-R68 PolarHBondContact OE1-NE 3.49Å; E65-R68 IonicContact OE1-NH2 2.93Å; E65-R68 PolarHBondContact OE1-NH2 3.38Å; E65-R68 IonicContact OE2-CZ 2.66Å; E65-R68 IonicContact OE2-NE 3.21Å; E65-R68 PolarHBondContact OE2-NE 3.03Å; E65-R68 IonicContact OE2-NH1 2.71Å; E65-R68 IonicContact OE2-NH2 2.68Å; E65-R68 PolarHBondContact OE2-NH2 3.36Å; R68-Q70 VanDerWaalsContact C-N 3.32Å; R68-R77 HydrophobicContact CG-CG 3.96Å; R68-M80 HydrophobicContact CB-CB 4.3Å; R68-M80 HydrophobicContact CG-CB 4.18Å
69S84.4Confident85.3Confident78 Ų7879.9 Ų79.955%0.54539%0.387SS..Hα-helixtrans-72.5-26.1179.6-64.50000113.1E65 K66 V67E65-S69 WeakPolarHBondContact O-CB 3.28Å; E65-S69 PolarHBondContact O-N 3.25Å; E65-S69 PolarHBondContact O-OG 3.44Å; E65-S69 PolarHBondContact OE1-OG 3.06Å; K66-S69 PolarHBondContact O-N 3.44Å; V67-S69 VanDerWaalsContact C-N 3.28Å; V67-S69 PolarHBondContact O-N 2.98Å
70Q84.9Confident85.3Confident136 Ų13677.3 Ų77.364%0.63637%0.373SS*.Hα-helixtrans-90-17.9178.4-68.2177.9-15.300112.7K66 V67 R68 Q72K66-Q70 WeakPolarHBondContact O-CG 3.47Å; K66-Q70 PolarHBondContact O-N 3.44Å; V67-Q70 PolarHBondContact O-N 2.95Å; V67-Q70 VanDerWaalsContact O-N 3.09Å; R68-Q70 VanDerWaalsContact C-N 3.32Å; Q70-Q72 PolarHBondContact O-N 2.92Å
71E85.6Confident85.3Confident62 Ų6282 Ų8229%0.2939%0.393SS..  trans-72.5122.5-177.4-168.450.3-107.500112.2V67 N73 Q76V67-E71 PolarHBondContact O-N 3.43Å; E71-N73 HydrophobicContact CG-CB 4.44Å; E71-N73 PolarHBondContact OE1-N 3.15Å; E71-Q76 VanDerWaalsContact CD-OE1 3.29Å; E71-Q76 HydrophobicContact CG-CB 3.8Å; E71-Q76 PolarHBondContact OE1-OE1 3.48Å
72Q84.7Confident85.4Confident189 Ų18982.8 Ų82.888%0.88340%0.398SS*.  trans-87.1-25.3-179.5-65.7-171.5-2.500112Q70 F74Q70-Q72 PolarHBondContact O-N 2.92Å; Q72-F74 PolarHBondContact O-N 3.19Å
73N88.6Confident85.2Confident77 Ų7779.2 Ų79.241%0.41238%0.376SS..  trans-73.3118.8179.7-172.9-48.6000111E71 L75 Q76 R77E71-N73 HydrophobicContact CG-CB 4.44Å; E71-N73 PolarHBondContact OE1-N 3.15Å; N73-L75 VanDerWaalsContact C-N 3.32Å; N73-L75 PolarHBondContact O-N 3.45Å; N73-L75 WeakPolarHBondContact OD1-CB 3.34Å; N73-L75 PolarHBondContact OD1-N 3.25Å; N73-Q76 HydrophobicContact CB-CB 4.15Å; N73-Q76 HydrophobicContact CB-CG 4.27Å; N73-Q76 PolarHBondContact O-N 2.84Å; N73-Q76 PolarHBondContact OD1-N 2.94Å; N73-R77 VanDerWaalsContact O-CB 3.3Å; N73-R77 WeakPolarHBondContact O-CB 3.49Å; N73-R77 PolarHBondContact O-N 2.86Å
74F87.8Confident85Confident166 Ų16677.5 Ų77.573%0.72837%0.368SS*.Hα-helixtrans-57.8-41.6-179176.3-99.3000113.1Q72 R77 H78Q72-F74 PolarHBondContact O-N 3.19Å; F74-R77 PolarHBondContact O-N 3.45Å; F74-H78 WeakPolarHBondContact O-CB 3.38Å; F74-H78 PolarHBondContact O-N 3.13Å
75L86.9Confident84.8Confident106 Ų10682.2 Ų82.256%0.55539%0.39SS*.Hα-helixtrans-66.3-48.5-178.7-179.264.5000110.8N73 R77 H78 N79N73-L75 VanDerWaalsContact C-N 3.32Å; N73-L75 PolarHBondContact O-N 3.45Å; N73-L75 WeakPolarHBondContact OD1-CB 3.34Å; N73-L75 PolarHBondContact OD1-N 3.25Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 3.08Å; L75-H78 WeakPolarHBondContact O-CB 3.39Å; L75-H78 PolarHBondContact O-N 3.2Å; L75-H78 VanDerWaalsContact O-N 3.17Å; L75-N79 PolarHBondContact O-N 2.99Å; L75-N79 PolarHBondContact O-OD1 2.89Å
76Q83.3Confident84.4Confident66 Ų6683.2 Ų83.231%0.30839%0.394SS..Hα-helixtrans-63.9-41.6178.2-69.8-178.5-31.100111.2E71 N73 H78 N79 M80E71-Q76 VanDerWaalsContact CD-OE1 3.29Å; E71-Q76 HydrophobicContact CG-CB 3.8Å; E71-Q76 PolarHBondContact OE1-OE1 3.48Å; N73-Q76 HydrophobicContact CB-CB 4.15Å; N73-Q76 HydrophobicContact CB-CG 4.27Å; N73-Q76 PolarHBondContact O-N 2.84Å; N73-Q76 PolarHBondContact OD1-N 2.94Å; Q76-H78 VanDerWaalsContact C-N 3.29Å; Q76-H78 PolarHBondContact O-N 3.03Å; Q76-N79 PolarHBondContact O-N 3.39Å; Q76-M80 WeakPolarHBondContact O-CB 3.2Å; Q76-M80 WeakPolarHBondContact O-CG 3.42Å; Q76-M80 PolarHBondContact O-N 3.46Å
77R85.6Confident83.8Confident137 Ų13778 Ų7852%0.51737%0.372SS..Hα-helixtrans-60.8-37.9174.6-173.3176.1175.9-170.80.3112.4R68 N73 F74 L75 K81R68-R77 HydrophobicContact CG-CG 3.96Å; N73-R77 VanDerWaalsContact O-CB 3.3Å; N73-R77 WeakPolarHBondContact O-CB 3.49Å; N73-R77 PolarHBondContact O-N 2.86Å; F74-R77 PolarHBondContact O-N 3.45Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 3.08Å; R77-K81 WeakPolarHBondContact O-CB 3.45Å; R77-K81 PolarHBondContact O-N 3.4Å
78H86Confident83.2Confident87 Ų8782.5 Ų82.540%0.40339%0.391SS..Hα-helixtrans-67.9-47.3175-176.976.2000112F74 L75 Q76 M80 K81 I82F74-H78 WeakPolarHBondContact O-CB 3.38Å; F74-H78 PolarHBondContact O-N 3.13Å; L75-H78 WeakPolarHBondContact O-CB 3.39Å; L75-H78 PolarHBondContact O-N 3.2Å; L75-H78 VanDerWaalsContact O-N 3.17Å; Q76-H78 VanDerWaalsContact C-N 3.29Å; Q76-H78 PolarHBondContact O-N 3.03Å; H78-M80 PolarHBondContact O-N 3.39Å; H78-K81 WeakPolarHBondContact O-CB 3.36Å; H78-K81 PolarHBondContact O-N 3.38Å; H78-K81 VanDerWaalsContact O-N 3.11Å; H78-I82 WeakPolarHBondContact NE2-CD1 3.31Å; H78-I82 PolarHBondContact O-N 2.91Å
79N85.4Confident82.4Confident53 Ų5386 Ų8628%0.28342%0.418SS..Hα-helixtrans-58.7-48.7176.9-69.6-2.2000111.2L75 Q76 K81 I82 I83L75-N79 PolarHBondContact O-N 2.99Å; L75-N79 PolarHBondContact O-OD1 2.89Å; Q76-N79 PolarHBondContact O-N 3.39Å; N79-K81 PolarHBondContact O-N 2.9Å; N79-I82 PolarHBondContact O-N 3.39Å; N79-I82 VanDerWaalsContact O-N 3.08Å; N79-I83 VanDerWaalsContact O-CG1 3.24Å; N79-I83 WeakPolarHBondContact O-CG1 3.26Å; N79-I83 PolarHBondContact O-N 3.21Å
80M84.2Confident81.3Confident16 Ų1684.5 Ų84.58%0.07941%0.406CS..Hα-helixtrans-59.1-34.4176.7-65.8-65.6167.100112.3D29 R68 Q76 H78 Q84D29-M80 HydrophobicContact CB-CE 3.63Å; D29-M80 HydrophobicContact CB-SD 4.26Å; D29-M80 WeakPolarHBondContact O-CE 3.44Å; R68-M80 HydrophobicContact CB-CB 4.3Å; R68-M80 HydrophobicContact CG-CB 4.18Å; Q76-M80 WeakPolarHBondContact O-CB 3.2Å; Q76-M80 WeakPolarHBondContact O-CG 3.42Å; Q76-M80 PolarHBondContact O-N 3.46Å; H78-M80 PolarHBondContact O-N 3.39Å; M80-Q84 WeakPolarHBondContact O-CB 3.04Å; M80-Q84 PolarHBondContact O-N 2.94Å
81K84.6Confident79.7Confident101 Ų10183.1 Ų83.144%0.43942%0.417SS..Hα-helixtrans-67.4-43.5174.7-178.4-176.8176.1-174.20112.1R77 H78 N79 I83 Q84 Q85R77-K81 WeakPolarHBondContact O-CB 3.45Å; R77-K81 PolarHBondContact O-N 3.4Å; H78-K81 WeakPolarHBondContact O-CB 3.36Å; H78-K81 PolarHBondContact O-N 3.38Å; H78-K81 VanDerWaalsContact O-N 3.11Å; N79-K81 PolarHBondContact O-N 2.9Å; K81-I83 VanDerWaalsContact C-N 3.34Å; K81-Q84 PolarHBondContact O-N 3.21Å; K81-Q85 WeakPolarHBondContact O-CG 3.36Å; K81-Q85 PolarHBondContact O-N 2.7Å; K81-Q85 VanDerWaalsContact O-N 3.13Å
82I84Confident78.8Confident64 Ų6482.3 Ų82.333%0.32842%0.419SS..Hα-helixtrans-61.5-47.1176.3-68.5172.9000109.8H78 N79 Q84 Q85 Q86H78-I82 WeakPolarHBondContact NE2-CD1 3.31Å; H78-I82 PolarHBondContact O-N 2.91Å; N79-I82 PolarHBondContact O-N 3.39Å; N79-I82 VanDerWaalsContact O-N 3.08Å; I82-Q84 VanDerWaalsContact C-N 3.33Å; I82-Q84 PolarHBondContact O-N 2.92Å; I82-Q85 WeakPolarHBondContact O-CB 3.21Å; I82-Q85 PolarHBondContact O-N 2.71Å; I82-Q85 VanDerWaalsContact O-N 3.09Å; I82-Q86 HydrophobicContact CG2-CG 4.43Å; I82-Q86 WeakPolarHBondContact O-CG 3.39Å; I82-Q86 PolarHBondContact O-N 2.89Å
83I81.9Confident78Confident8 Ų875 Ų754%0.04139%0.388CS..Hα-helixtrans-59.9-44.2179.1-66.5166.5000111P27 D29 I30 L64 N79 K81 Q85 Q86 L87P27-I83 HydrophobicContact CB-CD1 3.76Å; P27-I83 HydrophobicContact CB-CG1 4Å; P27-I83 HydrophobicContact CB-CG2 4.42Å; P27-I83 HydrophobicContact CG-CD1 4.28Å; P27-I83 HydrophobicContact CG-CG1 3.95Å; P27-I83 HydrophobicContact CG-CG2 4.04Å; D29-I83 HydrophobicContact CB-CD1 3.5Å; D29-I83 VanDerWaalsContact CB-CD1 3.5Å; I30-I83 HydrophobicContact CD1-CG2 3.45Å; I30-I83 VanDerWaalsContact CD1-CG2 3.45Å; I30-I83 HydrophobicContact CG1-CG2 3.49Å; I30-I83 VanDerWaalsContact CG1-CG2 3.49Å; L64-I83 HydrophobicContact CD1-CG2 4.34Å; N79-I83 VanDerWaalsContact O-CG1 3.24Å; N79-I83 WeakPolarHBondContact O-CG1 3.26Å; N79-I83 PolarHBondContact O-N 3.21Å; K81-I83 VanDerWaalsContact C-N 3.34Å; I83-Q85 VanDerWaalsContact C-N 3.27Å; I83-Q85 PolarHBondContact O-N 3.02Å; I83-Q86 PolarHBondContact O-N 2.94Å; I83-L87 HydrophobicContact CG2-CD1 4.05Å; I83-L87 HydrophobicContact CG2-CG 4.36Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.34Å; I83-L87 PolarHBondContact O-N 2.68Å
84Q80.8Confident77Confident20 Ų2073.3 Ų73.39%0.09338%0.384CS..Hα-helixtrans-58.7-39.4176-165.4177.813.800112.4L64 E65 M80 K81 I82 Q88L64-Q84 HydrophobicContact CD2-CB 3.59Å; L64-Q84 HydrophobicContact CD2-CG 3.83Å; E65-Q84 PolarHBondContact OE2-NE2 3.41Å; E65-Q84 PolarHBondContact OE2-OE1 3.18Å; M80-Q84 WeakPolarHBondContact O-CB 3.04Å; M80-Q84 PolarHBondContact O-N 2.94Å; K81-Q84 PolarHBondContact O-N 3.21Å; I82-Q84 VanDerWaalsContact C-N 3.33Å; I82-Q84 PolarHBondContact O-N 2.92Å; Q84-Q88 WeakPolarHBondContact O-CG 3.4Å; Q84-Q88 PolarHBondContact O-N 2.79Å
85Q81Confident76Confident102 Ų10269.7 Ų69.748%0.47737%0.372SS..Hα-helixtrans-69-40.5176.3-70.5175.8-21.700111.6K81 I82 I83 Q88 V89K81-Q85 WeakPolarHBondContact O-CG 3.36Å; K81-Q85 PolarHBondContact O-N 2.7Å; K81-Q85 VanDerWaalsContact O-N 3.13Å; I82-Q85 WeakPolarHBondContact O-CB 3.21Å; I82-Q85 PolarHBondContact O-N 2.71Å; I82-Q85 VanDerWaalsContact O-N 3.09Å; I83-Q85 VanDerWaalsContact C-N 3.27Å; I83-Q85 PolarHBondContact O-N 3.02Å; Q85-Q88 PolarHBondContact O-N 2.94Å; Q85-V89 WeakPolarHBondContact O-CG2 3.42Å; Q85-V89 PolarHBondContact O-N 3.2Å
86Q77.6Confident75.2Confident79 Ų7965 Ų6537%0.36935%0.347SS..Hα-helixtrans-61.5-46.7175.4-72.4171.8-31.200111.2I82 I83 Q88 V89 T90I82-Q86 HydrophobicContact CG2-CG 4.43Å; I82-Q86 WeakPolarHBondContact O-CG 3.39Å; I82-Q86 PolarHBondContact O-N 2.89Å; I83-Q86 PolarHBondContact O-N 2.94Å; Q86-Q88 VanDerWaalsContact C-N 3.26Å; Q86-Q88 PolarHBondContact O-N 3.41Å; Q86-V89 PolarHBondContact O-N 3.39Å; Q86-T90 PolarHBondContact O-N 3.19Å; Q86-T90 VanDerWaalsContact O-N 3.16Å; Q86-T90 PolarHBondContact O-OG1 3.18Å
87L74.2Confident74.5Confident7 Ų762 Ų624%0.03733%0.333CS..Hα-helixtrans-60.5-33.6177.4-67.7170.5000112.9I30 F57 L64 I83 V89 T90 F96I30-L87 HydrophobicContact CD1-CD1 3.78Å; I30-L87 HydrophobicContact CD1-CD2 4.26Å; I30-L87 HydrophobicContact CD1-CG 4.4Å; F57-L87 HydrophobicContact CZ-CB 4.37Å; F57-L87 WeakPolarHBondContact CZ-O 3.28Å; L64-L87 HydrophobicContact CD1-CD1 4.28Å; I83-L87 HydrophobicContact CG2-CD1 4.05Å; I83-L87 HydrophobicContact CG2-CG 4.36Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.34Å; I83-L87 PolarHBondContact O-N 2.68Å; L87-V89 VanDerWaalsContact C-N 3.26Å; L87-V89 PolarHBondContact O-N 3.45Å; L87-T90 PolarHBondContact O-N 3.38Å; L87-F96 HydrophobicContact CD2-CD2 3.67Å; L87-F96 HydrophobicContact CD2-CE2 3.36Å; L87-F96 HydrophobicContact CD2-CZ 4.29Å
88Q70.8Confident73.6Confident126 Ų12658.7 Ų58.759%0.58933%0.328SS*.Hα-helixtrans-68.3-25.8176.1-77.3177.4-3.800113.2Q84 Q85 Q86Q84-Q88 WeakPolarHBondContact O-CG 3.4Å; Q84-Q88 PolarHBondContact O-N 2.79Å; Q85-Q88 PolarHBondContact O-N 2.94Å; Q86-Q88 VanDerWaalsContact C-N 3.26Å; Q86-Q88 PolarHBondContact O-N 3.41Å
89V67.6Low72.8Confident125 Ų12556.1 Ų56.176%0.75832%0.317SS*.Hα-helixtrans-88.5-22.1-179.7179.40000111.5Q85 Q86 L87 A91Q85-V89 WeakPolarHBondContact O-CG2 3.42Å; Q85-V89 PolarHBondContact O-N 3.2Å; Q86-V89 PolarHBondContact O-N 3.39Å; L87-V89 VanDerWaalsContact C-N 3.26Å; L87-V89 PolarHBondContact O-N 3.45Å; V89-A91 PolarHBondContact O-N 3.1Å; V89-A91 VanDerWaalsContact O-N 3.13Å
90T61.8Low72.2Confident48 Ų4853.6 Ų53.629%0.29430%0.303SS..  trans-67.8109.7177.9-420000110.9Q86 L87 S92 L95Q86-T90 PolarHBondContact O-N 3.19Å; Q86-T90 VanDerWaalsContact O-N 3.16Å; Q86-T90 PolarHBondContact O-OG1 3.18Å; L87-T90 PolarHBondContact O-N 3.38Å; T90-S92 PolarHBondContact O-N 3.2Å; T90-L95 HydrophobicContact CG2-CD2 4.49Å
91A51.9Low71.4Confident106 Ų10654 Ų5488%0.87631%0.305SS*.SBendtrans-713.6-165.900000116.6V89V89-A91 PolarHBondContact O-N 3.1Å; V89-A91 VanDerWaalsContact O-N 3.13Å
92S66.4Low70.7Confident46 Ų4652.6 Ų52.632%0.32230%0.297SS..  trans-147.4113.8-176.1-179.40000113.5T90 A94 L95 F96T90-S92 PolarHBondContact O-N 3.2Å; S92-A94 PolarHBondContact O-N 2.81Å; S92-A94 PolarHBondContact OG-N 3.06Å; S92-L95 PolarHBondContact O-N 2.91Å; S92-L95 PolarHBondContact OG-N 2.8Å; S92-F96 PolarHBondContact O-N 2.85Å
93P67.6Low70.1Confident36 Ų3649.8 Ų49.823%0.23428%0.284CS..Hα-helixtrans-56.2-35.4168.5-27.136.2000113.3A53 F57 F96 L97A53-P93 HydrophobicContact CB-CB 4.43Å; F57-P93 HydrophobicContact CB-CB 3.94Å; F57-P93 HydrophobicContact CB-CG 4.42Å; F57-P93 HydrophobicContact CD1-CG 4.28Å; F57-P93 HydrophobicContact CG-CB 4.12Å; F57-P93 HydrophobicContact CG-CG 4.32Å; P93-F96 PolarHBondContact O-N 2.96Å; P93-L97 VanDerWaalsContact O-CD1 3.31Å; P93-L97 WeakPolarHBondContact O-CD1 3.12Å; P93-L97 WeakPolarHBondContact O-CG 3.47Å; P93-L97 PolarHBondContact O-N 2.67Å
94A66.6Low69.6Low40 Ų4050.1 Ų50.133%0.33129%0.287SS..Hα-helixtrans-64.3-40.9178.600000112.5S92 F96 L97 V98S92-A94 PolarHBondContact O-N 2.81Å; S92-A94 PolarHBondContact OG-N 3.06Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 3.05Å; A94-L97 PolarHBondContact O-N 3.19Å; A94-V98 WeakPolarHBondContact O-CG2 3.26Å; A94-V98 PolarHBondContact O-N 3.1Å; A94-V98 VanDerWaalsContact O-N 3.09Å
95L67.3Low69.2Low91 Ų9155.9 Ų55.948%0.47631%0.308SS..Hα-helixtrans-64.7-39.5178-170.9138.1000111.8T90 S92 L97 V98 L99T90-L95 HydrophobicContact CG2-CD2 4.49Å; S92-L95 PolarHBondContact O-N 2.91Å; S92-L95 PolarHBondContact OG-N 2.8Å; L95-L97 PolarHBondContact O-N 3.05Å; L95-V98 PolarHBondContact O-N 3.3Å; L95-L99 HydrophobicContact CD2-CD1 3.74Å; L95-L99 HydrophobicContact CD2-CG 4.39Å; L95-L99 WeakPolarHBondContact O-CG 3.27Å; L95-L99 PolarHBondContact O-N 3.3Å; L95-L99 VanDerWaalsContact O-N 3.08Å
96F71.2Confident68.5Low8 Ų854.6 Ų54.64%0.03530%0.298CS..Hα-helixtrans-62.2-42.5175.7-175.9-90.2000112.2F26 I30 F57 L60 L87 S92 P93 A94 L99 H100F26-F96 AromaticContact CD2-CE2 3.63Å; F26-F96 HydrophobicContact CD2-CE2 3.63Å; F26-F96 AromaticContact CD2-CZ 3.66Å; F26-F96 HydrophobicContact CD2-CZ 3.66Å; F26-F96 HydrophobicContact CE2-CE1 4.35Å; F26-F96 HydrophobicContact CE2-CE2 4.06Å; F26-F96 AromaticContact CE2-CZ 3.58Å; F26-F96 HydrophobicContact CE2-CZ 3.58Å; I30-F96 HydrophobicContact CD1-CE2 4.47Å; F57-F96 HydrophobicContact CD2-CB 4.4Å; F57-F96 HydrophobicContact CD2-CD1 4.24Å; F57-F96 HydrophobicContact CD2-CG 4.28Å; F57-F96 HydrophobicContact CE2-CB 4.33Å; F57-F96 HydrophobicContact CE2-CD2 4.47Å; F57-F96 HydrophobicContact CE2-CG 4.17Å; L60-F96 HydrophobicContact CD2-CD1 4.18Å; L60-F96 HydrophobicContact CD2-CE1 3.26Å; L60-F96 HydrophobicContact CD2-CE2 4.27Å; L60-F96 HydrophobicContact CD2-CZ 3.3Å; L87-F96 HydrophobicContact CD2-CD2 3.67Å; L87-F96 HydrophobicContact CD2-CE2 3.36Å; L87-F96 HydrophobicContact CD2-CZ 4.29Å; S92-F96 PolarHBondContact O-N 2.85Å; P93-F96 PolarHBondContact O-N 2.96Å; A94-F96 VanDerWaalsContact C-N 3.34Å; A94-F96 PolarHBondContact O-N 3.05Å; F96-L99 PolarHBondContact O-N 3.29Å; F96-H100 WeakPolarHBondContact O-CB 2.92Å; F96-H100 PolarHBondContact O-N 2.77Å
97L68.9Low68.6Low3 Ų350.8 Ų50.82%0.01628%0.281CS..Hα-helixtrans-62.8-42.6177.2-73154.7000112.8W43 A46 V47 A53 P93 A94 L95 H100 L101W43-L97 HydrophobicContact CD2-CD2 4.27Å; W43-L97 HydrophobicContact CE3-CD2 3.09Å; W43-L97 HydrophobicContact CZ3-CD2 3.29Å; A46-L97 HydrophobicContact CB-CD1 4.4Å; A46-L97 HydrophobicContact CB-CD2 3.95Å; V47-L97 HydrophobicContact CG2-CB 3.72Å; A53-L97 VanDerWaalsContact CA-CD1 3.42Å; A53-L97 HydrophobicContact CB-CD1 3.12Å; P93-L97 VanDerWaalsContact O-CD1 3.31Å; P93-L97 WeakPolarHBondContact O-CD1 3.12Å; P93-L97 WeakPolarHBondContact O-CG 3.47Å; P93-L97 PolarHBondContact O-N 2.67Å; A94-L97 PolarHBondContact O-N 3.19Å; L95-L97 PolarHBondContact O-N 3.05Å; L97-H100 PolarHBondContact O-N 3.46Å; L97-L101 PolarHBondContact O-N 2.99Å
98V66.8Low68.5Low67 Ų6756.2 Ų56.241%0.40630%0.304SS..Hα-helixtrans-64.3-42.6177.7170.10000111.2V47 A94 L95 H100 R102V47-V98 HydrophobicContact CG1-CG2 4.13Å; V47-V98 HydrophobicContact CG2-CG2 4.34Å; A94-V98 WeakPolarHBondContact O-CG2 3.26Å; A94-V98 PolarHBondContact O-N 3.1Å; A94-V98 VanDerWaalsContact O-N 3.09Å; L95-V98 PolarHBondContact O-N 3.3Å; V98-H100 VanDerWaalsContact C-N 3.32Å; V98-R102 WeakPolarHBondContact O-CB 3.3Å; V98-R102 PolarHBondContact O-N 2.82Å; V98-R102 VanDerWaalsContact O-N 3.09Å
99L69.1Low68.3Low32 Ų3255.5 Ų55.517%0.16830%0.301CS..Hα-helixtrans-62.1-42.8175-70174.3000111.3N25 L95 F96 R102 A103N25-L99 HydrophobicContact CB-CD1 3.73Å; L95-L99 HydrophobicContact CD2-CD1 3.74Å; L95-L99 HydrophobicContact CD2-CG 4.39Å; L95-L99 WeakPolarHBondContact O-CG 3.27Å; L95-L99 PolarHBondContact O-N 3.3Å; L95-L99 VanDerWaalsContact O-N 3.08Å; F96-L99 PolarHBondContact O-N 3.29Å; L99-R102 PolarHBondContact O-N 3.01Å; L99-A103 PolarHBondContact O-N 3Å
100H71.1Confident68.3Low1 Ų150.3 Ų50.31%0.00527%0.269CS..Hα-helixtrans-64.6-50.5180-174.958.3000113F26 I38 W43 F96 L97 V98 R102 A103 C104F26-H100 AromaticContact CE1-ND1 3.52Å; F26-H100 AromaticContact CE2-ND1 3.79Å; F26-H100 AromaticContact CZ-CE1 3.86Å; F26-H100 AromaticContact CZ-ND1 3.08Å; F26-H100 WeakPolarHBondContact CZ-ND1 3.32Å; I38-H100 WeakPolarHBondContact CG2-CE1 3.44Å; I38-H100 WeakPolarHBondContact CG2-NE2 3.21Å; W43-H100 AromaticContact CD1-CD2 3.69Å; W43-H100 AromaticContact CD1-NE2 3.78Å; W43-H100 AromaticContact CD2-CD2 3.7Å; W43-H100 AromaticContact CE2-CD2 3.34Å; W43-H100 AromaticContact CE2-NE2 3.59Å; W43-H100 AromaticContact CG-CD2 3.86Å; W43-H100 AromaticContact CZ2-CD2 3.81Å; W43-H100 AromaticContact NE1-CD2 3.38Å; W43-H100 PolarHBondContact NE1-CD2 3.03Å; W43-H100 AromaticContact NE1-NE2 3.25Å; W43-H100 PolarHBondContact NE1-NE2 2.72Å; F96-H100 WeakPolarHBondContact O-CB 2.92Å; F96-H100 PolarHBondContact O-N 2.77Å; L97-H100 PolarHBondContact O-N 3.46Å; V98-H100 VanDerWaalsContact C-N 3.32Å; H100-R102 VanDerWaalsContact C-N 3.26Å; H100-R102 PolarHBondContact O-N 3.28Å; H100-A103 PolarHBondContact O-N 3.35Å; H100-C104 PolarHBondContact CE1-SG 3.16Å; H100-C104 PolarHBondContact NE2-SG 3.07Å; H100-C104 VanDerWaalsContact NE2-SG 3.38Å; H100-C104 PolarHBondContact O-N 3.01Å
101L69.3Low68.5Low23 Ų2352 Ų5212%0.1227%0.272CS..Hα-helixtrans-58.1-40.4176.4-85-175.2000111.8W43 V47 L97 C104 R105W43-L101 HydrophobicContact CB-CD1 4.35Å; W43-L101 HydrophobicContact CB-CD2 3.35Å; W43-L101 HydrophobicContact CB-CG 3.76Å; W43-L101 HydrophobicContact CG-CD2 4.29Å; V47-L101 HydrophobicContact CB-CD1 4.22Å; V47-L101 HydrophobicContact CG2-CD1 3.44Å; V47-L101 VanDerWaalsContact CG2-CD1 3.44Å; V47-L101 HydrophobicContact CG2-CG 4.33Å; L97-L101 PolarHBondContact O-N 2.99Å; L101-C104 PolarHBondContact O-N 2.96Å; L101-R105 WeakPolarHBondContact O-CB 3.37Å; L101-R105 VanDerWaalsContact O-CG 3.31Å; L101-R105 WeakPolarHBondContact O-CG 3.35Å; L101-R105 PolarHBondContact O-N 2.89Å
102R68.4Low68.8Low72 Ų7251 Ų5127%0.27226%0.259SS..Hα-helixtrans-62.3-47.5176.5-176.4-179.9176.3133.4-9.9111.2V98 L99 H100 R105 R106 E568 R670V98-R102 WeakPolarHBondContact O-CB 3.3Å; V98-R102 PolarHBondContact O-N 2.82Å; V98-R102 VanDerWaalsContact O-N 3.09Å; L99-R102 PolarHBondContact O-N 3.01Å; H100-R102 VanDerWaalsContact C-N 3.26Å; H100-R102 PolarHBondContact O-N 3.28Å; R102-R105 PolarHBondContact O-N 3.35Å; R102-R106 WeakPolarHBondContact O-CB 3.19Å; R102-R106 WeakPolarHBondContact O-CG 3.45Å; R102-R106 PolarHBondContact O-N 3.37Å; R102-E568 IonicContact NH2-OE1 2.99Å; R102-E568 IonicContact NH2-OE2 3.29Å; R102-E568 PolarHBondContact NH2-OE2 2.9Å; R102-R670 VanDerWaalsContact CZ-NH1 3.31Å; R102-R670 VanDerWaalsContact NH1-NH1 3.2Å
103A72.5Confident68.3Low5 Ų551.1 Ų51.14%0.04126%0.26CS..Hα-helixtrans-60.9-47.4177.200000111.3F26 L99 H100 R105 R106 E107F26-A103 HydrophobicContact CD1-CB 4.19Å; F26-A103 HydrophobicContact CE1-CB 4.2Å; L99-A103 PolarHBondContact O-N 3Å; H100-A103 PolarHBondContact O-N 3.35Å; A103-R105 PolarHBondContact O-N 2.92Å; A103-R106 PolarHBondContact O-N 3.43Å; A103-E107 WeakPolarHBondContact O-CG 2.99Å; A103-E107 PolarHBondContact O-N 3.09Å
104C71.8Confident67.1Low15 Ų1552 Ų5210%0.10127%0.266CS..Hα-helixtrans-68.3-34.6-180-80.60000114.4Q3 H100 L101 K108Q3-C104 PolarHBondContact NE2-O 2.96Å; H100-C104 PolarHBondContact CE1-SG 3.16Å; H100-C104 PolarHBondContact NE2-SG 3.07Å; H100-C104 VanDerWaalsContact NE2-SG 3.38Å; H100-C104 PolarHBondContact O-N 3.01Å; L101-C104 PolarHBondContact O-N 2.96Å; C104-K108 WeakPolarHBondContact O-CG 3.42Å; C104-K108 PolarHBondContact O-N 3.44Å
105R71.3Confident65.7Low142 Ų14256 Ų5654%0.53629%0.291SS..Hα-helixtrans-67.3-45.3172.2-75.2-178.9-174.7-178.83.7110.6D44 L101 R102 A103 E107 K108 E109D44-R105 IonicContact OD1-CZ 2.79Å; D44-R105 IonicContact OD1-NH2 2.88Å; D44-R105 PolarHBondContact OD1-NH2 3.13Å; L101-R105 WeakPolarHBondContact O-CB 3.37Å; L101-R105 VanDerWaalsContact O-CG 3.31Å; L101-R105 WeakPolarHBondContact O-CG 3.35Å; L101-R105 PolarHBondContact O-N 2.89Å; R102-R105 PolarHBondContact O-N 3.35Å; A103-R105 PolarHBondContact O-N 2.92Å; R105-E107 PolarHBondContact O-N 2.96Å; R105-K108 WeakPolarHBondContact O-CB 3.43Å; R105-K108 PolarHBondContact O-N 3.22Å; R105-K108 VanDerWaalsContact O-N 3.09Å; R105-E109 WeakPolarHBondContact O-CG 3.23Å; R105-E109 PolarHBondContact O-N 3.34Å
106R67.5Low64.2Low74 Ų7455.8 Ų55.828%0.27930%0.297SS..Hα-helixtrans-64-37176-76.2-172.2172173.5-10.6113.1L21 R102 A103 K108 E109 V110 E568L21-R106 HydrophobicContact CD1-CB 3.76Å; L21-R106 HydrophobicContact CD2-CB 3.65Å; L21-R106 VanDerWaalsContact CD2-CD 3.42Å; L21-R106 HydrophobicContact CD2-CG 4.18Å; L21-R106 HydrophobicContact CG-CB 4.38Å; R102-R106 WeakPolarHBondContact O-CB 3.19Å; R102-R106 WeakPolarHBondContact O-CG 3.45Å; R102-R106 PolarHBondContact O-N 3.37Å; A103-R106 PolarHBondContact O-N 3.43Å; R106-K108 VanDerWaalsContact C-N 3.3Å; R106-K108 PolarHBondContact O-N 3.42Å; R106-E109 PolarHBondContact O-N 2.97Å; R106-V110 VanDerWaalsContact O-CG2 3.3Å; R106-V110 WeakPolarHBondContact O-CG2 3.47Å; R106-V110 PolarHBondContact O-N 3.43Å; R106-E568 IonicContact CZ-OE2 3.98Å; R106-E568 IonicContact NH1-OE1 2.75Å; R106-E568 IonicContact NH1-OE2 2.89Å; R106-E568 IonicContact NH2-OE2 3.83Å; R106-E568 PolarHBondContact NH2-OE2 3.35Å
107E78.1Confident62.8Low0 Ų060.2 Ų60.20%032%0.321CS..Hα-helixtrans-57.3-42.8170.6-79.3-177.7-177.200112Q3 W4 V7 L21 Y22 R31 A103 R105 K111Q3-E107 PolarHBondContact NE2-OE2 3.33Å; W4-E107 WeakPolarHBondContact CZ3-OE1 3.34Å; V7-E107 HydrophobicContact CG2-CB 4.41Å; V7-E107 HydrophobicContact CG2-CG 4.46Å; L21-E107 HydrophobicContact CD1-CG 4.22Å; Y22-E107 PolarHBondContact OH-OE1 2.91Å; R31-E107 IonicContact CZ-OE1 3.54Å; R31-E107 IonicContact CZ-OE2 2.73Å; R31-E107 IonicContact NE-OE1 3.33Å; R31-E107 PolarHBondContact NE-OE1 2.75Å; R31-E107 IonicContact NE-OE2 3.68Å; R31-E107 IonicContact NH2-OE1 3.45Å; R31-E107 IonicContact NH2-OE2 3.64Å; R31-E107 PolarHBondContact NH2-OE2 3.47Å; A103-E107 WeakPolarHBondContact O-CG 2.99Å; A103-E107 PolarHBondContact O-N 3.09Å; R105-E107 PolarHBondContact O-N 2.96Å; E107-K111 WeakPolarHBondContact O-CB 3.18Å; E107-K111 PolarHBondContact O-N 2.71Å
108K72.7Confident61.7Low120 Ų12067.9 Ų67.952%0.52236%0.356SS..Hα-helixtrans-68.5-37.2177.4-70.5177.6-177.2174.60111.6C104 R105 R106 K111 S112C104-K108 WeakPolarHBondContact O-CG 3.42Å; C104-K108 PolarHBondContact O-N 3.44Å; R105-K108 WeakPolarHBondContact O-CB 3.43Å; R105-K108 PolarHBondContact O-N 3.22Å; R105-K108 VanDerWaalsContact O-N 3.09Å; R106-K108 VanDerWaalsContact C-N 3.3Å; R106-K108 PolarHBondContact O-N 3.42Å; K108-K111 PolarHBondContact O-N 2.82Å; K108-S112 WeakPolarHBondContact O-CB 3.3Å; K108-S112 PolarHBondContact O-N 2.98Å; K108-S112 PolarHBondContact O-OG 3.31Å
109E67.3Low61Low112 Ų11267.3 Ų67.352%0.52335%0.349SS..Hα-helixtrans-64-50.8174.1-71.3167-171.900111.1R105 R106 K111 S112 S113R105-E109 WeakPolarHBondContact O-CG 3.23Å; R105-E109 PolarHBondContact O-N 3.34Å; R106-E109 PolarHBondContact O-N 2.97Å; E109-K111 PolarHBondContact O-N 2.9Å; E109-S112 CarbonylContact O-C 3.58Å; E109-S112 WeakPolarHBondContact O-CA 3.41Å; E109-S112 WeakPolarHBondContact O-CB 3.4Å; E109-S112 PolarHBondContact O-N 3.32Å; E109-S113 WeakPolarHBondContact O-CB 3.38Å; E109-S113 PolarHBondContact O-N 3.2Å; E109-S113 PolarHBondContact O-OG 2.67Å; E109-S113 VanDerWaalsContact O-OG 3.07Å
110V66.8Low60.3Low15 Ų1566.7 Ų66.79%0.09135%0.35CS..Hα-helixtrans-55.4-42.8176.41720000110.9L10 L14 Q17 V18 R106 S112 S113 S114L10-V110 HydrophobicContact CD1-CG1 4.45Å; L14-V110 HydrophobicContact CB-CG1 4.07Å; L14-V110 HydrophobicContact CD2-CG1 3.99Å; Q17-V110 HydrophobicContact CB-CG1 4.46Å; Q17-V110 HydrophobicContact CB-CG2 4.32Å; V18-V110 HydrophobicContact CG2-CG1 4.15Å; R106-V110 VanDerWaalsContact O-CG2 3.3Å; R106-V110 WeakPolarHBondContact O-CG2 3.47Å; R106-V110 PolarHBondContact O-N 3.43Å; V110-S112 VanDerWaalsContact C-N 3.35Å; V110-S112 PolarHBondContact O-N 2.97Å; V110-S113 PolarHBondContact O-N 3.43Å; V110-S114 PolarHBondContact O-N 3.36Å
111K65.3Low59.5Low84 Ų8469.8 Ų69.837%0.36538%0.376SS..Hα-helixtrans-66.8-33.3175.4-171.1-177.3176.1-161.90113.1E107 K108 E109 S114E107-K111 WeakPolarHBondContact O-CB 3.18Å; E107-K111 PolarHBondContact O-N 2.71Å; K108-K111 PolarHBondContact O-N 2.82Å; E109-K111 PolarHBondContact O-N 2.9Å; K111-S114 PolarHBondContact O-OG 2.94Å
112S59.3Low58.9Low84 Ų8469.5 Ų69.559%0.58738%0.375SS*.Hα-helixtrans-74.8-37.4177.1-54.20000110.9K108 E109 V110 S114 C115K108-S112 WeakPolarHBondContact O-CB 3.3Å; K108-S112 PolarHBondContact O-N 2.98Å; K108-S112 PolarHBondContact O-OG 3.31Å; E109-S112 CarbonylContact O-C 3.58Å; E109-S112 WeakPolarHBondContact O-CA 3.41Å; E109-S112 WeakPolarHBondContact O-CB 3.4Å; E109-S112 PolarHBondContact O-N 3.32Å; V110-S112 VanDerWaalsContact C-N 3.35Å; V110-S112 PolarHBondContact O-N 2.97Å; S112-S114 VanDerWaalsContact C-N 3.27Å; S112-S114 PolarHBondContact O-N 2.93Å; S112-C115 PolarHBondContact O-N 2.82Å
113S54.8Low58.4Low49 Ų4967 Ų6734%0.34337%0.366SS..Hα-helixtrans-68.4-20.8174.8-58.80000113.5E109 V110 C115 S116 L117E109-S113 WeakPolarHBondContact O-CB 3.38Å; E109-S113 PolarHBondContact O-N 3.2Å; E109-S113 PolarHBondContact O-OG 2.67Å; E109-S113 VanDerWaalsContact O-OG 3.07Å; V110-S113 PolarHBondContact O-N 3.43Å; S113-C115 PolarHBondContact O-N 3.37Å; S113-C115 VanDerWaalsContact O-N 3.17Å; S113-S116 PolarHBondContact O-N 3.33Å; S113-S116 PolarHBondContact O-OG 3.06Å; S113-L117 PolarHBondContact O-N 2.92Å; S113-L117 VanDerWaalsContact O-N 3.11Å
114S43.2Very low57.8Low54 Ų5471 Ų7138%0.37838%0.384SS..THydrogen-bonded Turntrans-61.8-19.7172.685.60000112.9L14 V110 K111 S112L14-S114 VanDerWaalsContact CD1-CB 3.47Å; V110-S114 PolarHBondContact O-N 3.36Å; K111-S114 PolarHBondContact O-OG 2.94Å; S112-S114 VanDerWaalsContact C-N 3.27Å; S112-S114 PolarHBondContact O-N 2.93Å
115C36.8Very low57.1Low125 Ų12573.5 Ų73.585%0.84540%0.402SS*.THydrogen-bonded Turntrans-84.4-9.3176.5-127.30000113.3S112 S113S112-C115 PolarHBondContact O-N 2.82Å; S113-C115 PolarHBondContact O-N 3.37Å; S113-C115 VanDerWaalsContact O-N 3.17Å
116S36.6Very low56.4Low87 Ų8768.6 Ų68.661%0.60839%0.386SS*.THydrogen-bonded Turntrans-130.6-5.2-170.759.40000115.5S113 E118S113-S116 PolarHBondContact O-N 3.33Å; S113-S116 PolarHBondContact O-OG 3.06Å; S116-E118 PolarHBondContact O-N 2.88Å
117L42.3Very low55.7Low101 Ų10169.2 Ų69.253%0.52939%0.392SS..  trans-75.193.6174-80.1158.4000109.1L14 S113 Q119L14-L117 HydrophobicContact CD2-CD1 3.72Å; S113-L117 PolarHBondContact O-N 2.92Å; S113-L117 VanDerWaalsContact O-N 3.11Å; L117-Q119 PolarHBondContact O-N 3.34Å
118E44.4Very low54.4Low164 Ų16472.8 Ų72.877%0.76641%0.411SS*.  trans-54.6101.3165.3-69.5-178.1155.100108.1S116 G120S116-E118 PolarHBondContact O-N 2.88Å; E118-G120 PolarHBondContact O-N 3.2Å
119Q52.3Low53.1Low55 Ų5572 Ų7226%0.25742%0.42SS..  trans-55.1134.6165.4-80.6171.2-11.900107.5E11 L117 Q124E11-Q119 PolarHBondContact OE1-NE2 3.31Å; E11-Q119 PolarHBondContact OE2-NE2 3.33Å; E11-Q119 VanDerWaalsContact OE2-NE2 3.13Å; L117-Q119 PolarHBondContact O-N 3.34Å; Q119-Q124 HydrophobicContact CB-CG 3.47Å; Q119-Q124 VanDerWaalsContact CB-CG 3.47Å; Q119-Q124 PolarHBondContact O-NE2 3.32Å
120G54Low52.6Low18 Ų1870.1 Ų70.119%0.18642%0.417CS..  trans-57.2147.6178.300000111.6E118 L122 E123 Q124 E492E118-G120 PolarHBondContact O-N 3.2Å; G120-L122 PolarHBondContact O-N 3.41Å; G120-E123 PolarHBondContact O-N 3.06Å; G120-Q124 WeakPolarHBondContact O-CG 3.21Å; G120-Q124 PolarHBondContact O-N 3.32Å; G120-E492 WeakPolarHBondContact CA-OE1 3.29Å; G120-E492 WeakPolarHBondContact CA-OE2 3.42Å
121A55.3Low52.4Low67 Ų6770.7 Ų70.755%0.55442%0.423SS*.Hα-helixtrans-56.9-34.1-178.900000112S125 E492A121-S125 WeakPolarHBondContact O-CB 3.36Å; A121-S125 PolarHBondContact O-N 3.03Å; A121-S125 VanDerWaalsContact O-N 3.16Å; A121-E492 PolarHBondContact N-OE1 3.01Å
122L57Low52.4Low17 Ų1773.7 Ų73.79%0.08944%0.436CS..Hα-helixtrans-72.3-42.2176-170.862.2000111.2G120 S125 L126 I239 L468 E492 W496G120-L122 PolarHBondContact O-N 3.41Å; L122-S125 PolarHBondContact O-N 3.5Å; L122-S125 PolarHBondContact O-OG 3.42Å; L122-L126 HydrophobicContact CG-CD1 4.35Å; L122-L126 WeakPolarHBondContact O-CD1 3.3Å; L122-L126 VanDerWaalsContact O-CG 3.28Å; L122-L126 WeakPolarHBondContact O-CG 3.29Å; L122-L126 PolarHBondContact O-N 2.81Å; L122-I239 HydrophobicContact CD2-CD1 4.36Å; L122-L468 HydrophobicContact CD2-CD1 4.1Å; L122-E492 WeakPolarHBondContact CB-OE2 3.37Å; L122-E492 PolarHBondContact N-OE1 2.78Å; L122-E492 PolarHBondContact N-OE2 3.08Å; L122-W496 HydrophobicContact CD2-CH2 3.66Å; L122-W496 HydrophobicContact CD2-CZ3 4.25Å; L122-W496 HydrophobicContact CG-CH2 4.27Å
123E58Low52.8Low20 Ų2076.3 Ų76.39%0.09344%0.439CS..Hα-helixtrans-64.8-42.7175.8-62.3-171.5138.700113.2R13 G120 S125 L126 Q127 P245 E492 W496R13-E123 IonicContact CZ-OE1 3.96Å; R13-E123 IonicContact CZ-OE2 3.56Å; R13-E123 VanDerWaalsContact CZ-OE2 3.23Å; R13-E123 IonicContact NH1-OE1 2.79Å; R13-E123 IonicContact NH1-OE2 3.55Å; R13-E123 PolarHBondContact NH1-OE2 3.47Å; R13-E123 IonicContact NH2-OE1 3.2Å; R13-E123 PolarHBondContact NH2-OE1 3.48Å; R13-E123 IonicContact NH2-OE2 3.92Å; R13-E123 PolarHBondContact NH2-OE2 2.91Å; R13-E123 VanDerWaalsContact NH2-OE2 3.08Å; G120-E123 PolarHBondContact O-N 3.06Å; E123-S125 VanDerWaalsContact C-N 3.3Å; E123-S125 PolarHBondContact O-N 2.74Å; E123-L126 PolarHBondContact O-N 2.78Å; E123-L126 VanDerWaalsContact O-N 3.11Å; E123-Q127 WeakPolarHBondContact O-CB 3.37Å; E123-Q127 PolarHBondContact O-N 2.78Å; E123-P245 HydrophobicContact CG-CG 4.06Å; E123-E492 PolarHBondContact N-OE2 3.42Å; E123-W496 HydrophobicContact CG-CZ2 3.55Å; E123-W496 PolarHBondContact OE1-NE1 3.37Å
124Q58.3Low53.7Low88 Ų8879.3 Ų79.341%0.41144%0.443SS..Hα-helixtrans-59.9-43.4175.5-70.6-175.71300110.7Q119 G120 L126 Q127 N128Q119-Q124 HydrophobicContact CB-CG 3.47Å; Q119-Q124 VanDerWaalsContact CB-CG 3.47Å; Q119-Q124 PolarHBondContact O-NE2 3.32Å; G120-Q124 WeakPolarHBondContact O-CG 3.21Å; G120-Q124 PolarHBondContact O-N 3.32Å; Q124-L126 PolarHBondContact O-N 2.92Å; Q124-Q127 PolarHBondContact O-N 3.41Å; Q124-N128 PolarHBondContact O-N 2.66Å; Q124-N128 VanDerWaalsContact O-N 3.09Å; Q124-N128 PolarHBondContact O-ND2 2.93Å; Q124-N128 PolarHBondContact O-OD1 3.36Å; Q124-N128 VanDerWaalsContact O-OD1 3.1Å
125S57.6Low55.4Low68 Ų6878.2 Ų78.248%0.47643%0.432SS..Hα-helixtrans-58.7-33.4177.281.10000112.7A121 L122 E123 N128A121-S125 WeakPolarHBondContact O-CB 3.36Å; A121-S125 PolarHBondContact O-N 3.03Å; A121-S125 VanDerWaalsContact O-N 3.16Å; L122-S125 PolarHBondContact O-N 3.5Å; L122-S125 PolarHBondContact O-OG 3.42Å; E123-S125 VanDerWaalsContact C-N 3.3Å; E123-S125 PolarHBondContact O-N 2.74Å; S125-N128 PolarHBondContact O-ND2 3.46Å; S125-N128 VanDerWaalsContact O-ND2 3.16Å
126L57.2Low57.5Low38 Ų3878.5 Ų78.520%0.19942%0.419CS..Hα-helixtrans-86.9-25.7-177.2-67.2167.2000114L122 E123 Q124 R235 R236 I239L122-L126 HydrophobicContact CG-CD1 4.35Å; L122-L126 WeakPolarHBondContact O-CD1 3.3Å; L122-L126 VanDerWaalsContact O-CG 3.28Å; L122-L126 WeakPolarHBondContact O-CG 3.29Å; L122-L126 PolarHBondContact O-N 2.81Å; E123-L126 PolarHBondContact O-N 2.78Å; E123-L126 VanDerWaalsContact O-N 3.11Å; Q124-L126 PolarHBondContact O-N 2.92Å; L126-R235 HydrophobicContact CD2-CG 4.46Å; L126-R236 HydrophobicContact CD2-CG 4Å; L126-I239 HydrophobicContact CD1-CB 4.45Å; L126-I239 HydrophobicContact CD1-CG1 4.31Å; L126-I239 HydrophobicContact CD1-CG2 4.06Å
127Q53.1Low59.8Low87 Ų8778.1 Ų78.141%0.40741%0.41SS..Hα-helixtrans-110.61.2-173.8-72178.6-18.500114.8E123 Q124 S129E123-Q127 WeakPolarHBondContact O-CB 3.37Å; E123-Q127 PolarHBondContact O-N 2.78Å; Q124-Q127 PolarHBondContact O-N 3.41Å; Q127-S129 PolarHBondContact O-N 2.94Å
128N50.3Low61.9Low75 Ų7573.6 Ų73.640%0.40139%0.386SS..  trans-34.8134-178.1-83.3-44.4000114.7Q124 S125 V130 A131Q124-N128 PolarHBondContact O-N 2.66Å; Q124-N128 VanDerWaalsContact O-N 3.09Å; Q124-N128 PolarHBondContact O-ND2 2.93Å; Q124-N128 PolarHBondContact O-OD1 3.36Å; Q124-N128 VanDerWaalsContact O-OD1 3.1Å; S125-N128 PolarHBondContact O-ND2 3.46Å; S125-N128 VanDerWaalsContact O-ND2 3.16Å; N128-V130 PolarHBondContact O-N 2.93Å; N128-A131 WeakPolarHBondContact O-CB 3.41Å; N128-A131 PolarHBondContact O-N 2.9Å
129S45.8Very low63.9Low103 Ų10369.4 Ų69.472%0.7237%0.369SS*.THydrogen-bonded Turntrans-44.7-30.3172.8176.50000114.2Q127 A131 F132Q127-S129 PolarHBondContact O-N 2.94Å; S129-A131 PolarHBondContact O-N 3.17Å; S129-F132 PolarHBondContact O-N 3.37Å
130V56.2Low65.7Low73 Ų7371.1 Ų71.144%0.44238%0.38SS..Hα-helixtrans-58.1-30.5173.3-169.30000112.7N128 F132 E133 R134N128-V130 PolarHBondContact O-N 2.93Å; V130-F132 PolarHBondContact O-N 3.34Å; V130-E133 PolarHBondContact O-N 3.2Å; V130-R134 HydrophobicContact CG1-CG 4.38Å; V130-R134 VanDerWaalsContact O-CG 3.31Å; V130-R134 WeakPolarHBondContact O-CG 3.32Å; V130-R134 PolarHBondContact O-N 3.4Å
131A62.6Low67.5Low27 Ų2772.3 Ų72.322%0.22338%0.379CS..Hα-helixtrans-62-41.6178.400000111.6N128 S129 R134 Q135N128-A131 WeakPolarHBondContact O-CB 3.41Å; N128-A131 PolarHBondContact O-N 2.9Å; S129-A131 PolarHBondContact O-N 3.17Å; A131-R134 PolarHBondContact O-N 3.35Å; A131-Q135 VanDerWaalsContact O-CG 3.24Å; A131-Q135 WeakPolarHBondContact O-CG 3.44Å; A131-Q135 PolarHBondContact O-N 3.3Å
132F64.6Low69.2Low148 Ų14869.4 Ų69.465%0.64935%0.354SS*.Hα-helixtrans-66.9-40.5178.9-174.7-100000112.3S129 V130 Q135 K136S129-F132 PolarHBondContact O-N 3.37Å; V130-F132 PolarHBondContact O-N 3.34Å; F132-Q135 PolarHBondContact O-N 2.92Å; F132-K136 PolarHBondContact O-N 3Å
133E68.3Low70.8Confident138 Ų13871.3 Ų71.365%0.64537%0.369SS*.Hα-helixtrans-64.9-39.6174.3-69.6-170.2159.100112.3V130 K136 N137V130-E133 PolarHBondContact O-N 3.2Å; E133-K136 PolarHBondContact O-N 3.37Å; E133-N137 WeakPolarHBondContact O-CB 3.23Å; E133-N137 PolarHBondContact O-N 3.28Å
134R74.6Confident72.5Confident113 Ų11375.4 Ų75.443%0.42639%0.39SS..Hα-helixtrans-60.7-44.3173.4-74.2-176.5-134.41622.9111.8V130 A131 N137 M138 D232V130-R134 HydrophobicContact CG1-CG 4.38Å; V130-R134 VanDerWaalsContact O-CG 3.31Å; V130-R134 WeakPolarHBondContact O-CG 3.32Å; V130-R134 PolarHBondContact O-N 3.4Å; A131-R134 PolarHBondContact O-N 3.35Å; R134-N137 PolarHBondContact O-N 3.44Å; R134-M138 PolarHBondContact O-N 2.87Å; R134-D232 IonicContact NH1-OD2 3.23Å
135Q77.8Confident74.2Confident31 Ų3171.7 Ų71.715%0.14537%0.373CS..Hα-helixtrans-60.7-48.4178.1-69.7-179.1-1.600111.4A131 F132 N137 M138 D139 W256A131-Q135 VanDerWaalsContact O-CG 3.24Å; A131-Q135 WeakPolarHBondContact O-CG 3.44Å; A131-Q135 PolarHBondContact O-N 3.3Å; F132-Q135 PolarHBondContact O-N 2.92Å; Q135-N137 VanDerWaalsContact C-N 3.33Å; Q135-N137 PolarHBondContact O-N 2.93Å; Q135-M138 WeakPolarHBondContact O-CB 3.37Å; Q135-M138 PolarHBondContact O-N 3.37Å; Q135-M138 VanDerWaalsContact O-N 3.12Å; Q135-D139 PolarHBondContact O-N 3.39Å; Q135-W256 HydrophobicContact CB-CH2 4.28Å; Q135-W256 HydrophobicContact CB-CZ2 4.3Å; Q135-W256 HydrophobicContact CG-CH2 3.97Å; Q135-W256 HydrophobicContact CG-CZ2 4.47Å
136K81.3Confident75.9Confident130 Ų13072.8 Ų72.857%0.56537%0.367SS*.Hα-helixtrans-63.1-38.3177.9-174.1179.6178.7-178.40112.7F132 E133 M138 N140F132-K136 PolarHBondContact O-N 3Å; E133-K136 PolarHBondContact O-N 3.37Å; K136-M138 VanDerWaalsContact C-N 3.32Å; K136-N140 VanDerWaalsContact O-CG 3.31Å; K136-N140 PolarHBondContact O-N 3.01Å; K136-N140 VanDerWaalsContact O-N 3.14Å; K136-N140 PolarHBondContact O-ND2 3.49Å
137N85.3Confident77.6Confident80 Ų8074.7 Ų74.743%0.42838%0.377SS..Hα-helixtrans-61-44173.9-172.7-56.7000110.8E133 R134 Q135 N140 R141 Q225E133-N137 WeakPolarHBondContact O-CB 3.23Å; E133-N137 PolarHBondContact O-N 3.28Å; R134-N137 PolarHBondContact O-N 3.44Å; Q135-N137 VanDerWaalsContact C-N 3.33Å; Q135-N137 PolarHBondContact O-N 2.93Å; N137-N140 PolarHBondContact O-N 2.95Å; N137-R141 PolarHBondContact O-N 2.68Å; N137-Q225 PolarHBondContact OD1-NE2 3.02Å
138M85.1Confident79.6Confident5 Ų572.4 Ų72.43%0.02537%0.371CS..Hα-helixtrans-63.5-46.6179.2-159.8172.4-47.200112.1R134 Q135 K136 N140 R141 V142 L221 Q225 L226 E229 W256R134-M138 PolarHBondContact O-N 2.87Å; Q135-M138 WeakPolarHBondContact O-CB 3.37Å; Q135-M138 PolarHBondContact O-N 3.37Å; Q135-M138 VanDerWaalsContact O-N 3.12Å; K136-M138 VanDerWaalsContact C-N 3.32Å; M138-N140 VanDerWaalsContact C-N 3.29Å; M138-N140 PolarHBondContact O-N 3.11Å; M138-R141 PolarHBondContact O-N 2.89Å; M138-V142 HydrophobicContact CG-CG2 4.43Å; M138-V142 WeakPolarHBondContact O-CB 3.31Å; M138-V142 VanDerWaalsContact O-CG2 3.31Å; M138-V142 WeakPolarHBondContact O-CG2 3.38Å; M138-V142 PolarHBondContact O-N 2.74Å; M138-L221 HydrophobicContact CG-CD1 4.35Å; M138-Q225 HydrophobicContact CE-CB 3.98Å; M138-L226 HydrophobicContact SD-CD1 4.2Å; M138-E229 HydrophobicContact CE-CB 3.97Å; M138-E229 HydrophobicContact CE-CG 4.15Å; M138-W256 HydrophobicContact CB-CZ2 4.13Å; M138-W256 HydrophobicContact CE-CE3 4.26Å; M138-W256 HydrophobicContact CE-CH2 4.45Å; M138-W256 HydrophobicContact CE-CZ3 4.09Å; M138-W256 HydrophobicContact CG-CD2 3.94Å; M138-W256 HydrophobicContact CG-CE3 4.32Å; M138-W256 HydrophobicContact CG-CG 4.23Å; M138-W256 HydrophobicContact CG-CZ2 4.44Å; M138-W256 HydrophobicContact SD-CB 4.47Å; M138-W256 HydrophobicContact SD-CD2 3.38Å; M138-W256 HydrophobicContact SD-CE3 3.17Å; M138-W256 HydrophobicContact SD-CG 3.98Å; M138-W256 HydrophobicContact SD-CH2 4.09Å; M138-W256 HydrophobicContact SD-CZ2 4.24Å; M138-W256 HydrophobicContact SD-CZ3 3.58Å; M138-W256 VanDerWaalsContact SD-CZ3 3.58Å
139D88.3Confident81.6Confident76 Ų7668.9 Ų68.941%0.40635%0.352SS..Hα-helixtrans-54.9-46.1175-76.5-36.5000111.8Q135 S143 W256Q135-D139 PolarHBondContact O-N 3.39Å; D139-S143 WeakPolarHBondContact O-CB 3.46Å; D139-S143 PolarHBondContact O-N 3.09Å; D139-W256 PolarHBondContact OD1-NE1 3.44Å
140N89.1Confident83.9Confident91 Ų9168.2 Ų68.249%0.48734%0.338SS..Hα-helixtrans-63.2-47178.4-73.4-17.4000111.8K136 N137 M138 S143 I144K136-N140 VanDerWaalsContact O-CG 3.31Å; K136-N140 PolarHBondContact O-N 3.01Å; K136-N140 VanDerWaalsContact O-N 3.14Å; K136-N140 PolarHBondContact O-ND2 3.49Å; N137-N140 PolarHBondContact O-N 2.95Å; M138-N140 VanDerWaalsContact C-N 3.29Å; M138-N140 PolarHBondContact O-N 3.11Å; N140-S143 PolarHBondContact O-N 2.94Å; N140-I144 WeakPolarHBondContact O-CD1 3.24Å; N140-I144 VanDerWaalsContact O-CG1 3.24Å; N140-I144 WeakPolarHBondContact O-CG1 3.49Å; N140-I144 PolarHBondContact O-N 2.87Å
141R90.9Very high85.6Confident44 Ų4470.8 Ų70.817%0.16635%0.348CS..Hα-helixtrans-62.9-45.9179.3-72.8-169.876.9-174.15112N137 M138 S143 I144 I145 E217 D220 L221N137-R141 PolarHBondContact O-N 2.68Å; M138-R141 PolarHBondContact O-N 2.89Å; R141-S143 VanDerWaalsContact C-N 3.28Å; R141-S143 PolarHBondContact O-N 3.31Å; R141-I144 PolarHBondContact O-N 3.47Å; R141-I145 WeakPolarHBondContact O-CG1 3.47Å; R141-I145 PolarHBondContact O-N 3.3Å; R141-E217 IonicContact NH2-OE2 2.94Å; R141-E217 PolarHBondContact NH2-OE2 2.73Å; R141-D220 IonicContact CZ-OD2 3.12Å; R141-D220 VanDerWaalsContact CZ-OD2 3.29Å; R141-D220 IonicContact NH1-OD2 2.77Å; R141-D220 PolarHBondContact NH1-OD2 3.01Å; R141-D220 IonicContact NH2-OD2 3.25Å; R141-D220 PolarHBondContact NH2-OD2 3.43Å; R141-L221 HydrophobicContact CB-CD1 4.08Å
142V92.2Very high87Confident5 Ų569.9 Ų69.93%0.0334%0.339CS..Hα-helixtrans-59.8-41.5176.7172.60000110.6M138 I145 R146 L221 W256 L259M138-V142 HydrophobicContact CG-CG2 4.43Å; M138-V142 WeakPolarHBondContact O-CB 3.31Å; M138-V142 VanDerWaalsContact O-CG2 3.31Å; M138-V142 WeakPolarHBondContact O-CG2 3.38Å; M138-V142 PolarHBondContact O-N 2.74Å; V142-I145 PolarHBondContact O-N 2.87Å; V142-R146 WeakPolarHBondContact O-CB 3.35Å; V142-R146 PolarHBondContact O-N 2.79Å; V142-L221 HydrophobicContact CG2-CD2 3.79Å; V142-W256 HydrophobicContact CG2-CB 4.37Å; V142-W256 HydrophobicContact CG2-CG 4.38Å; V142-L259 HydrophobicContact CG1-CB 3.56Å; V142-L259 HydrophobicContact CG1-CD1 3.7Å; V142-L259 HydrophobicContact CG1-CG 4.29Å
143S91.3Very high88.3Confident58 Ų5866.4 Ų66.441%0.40633%0.328SS..Hα-helixtrans-64.5-41175.8-173.90000112.8D139 N140 R141 R146 N147D139-S143 WeakPolarHBondContact O-CB 3.46Å; D139-S143 PolarHBondContact O-N 3.09Å; N140-S143 PolarHBondContact O-N 2.94Å; R141-S143 VanDerWaalsContact C-N 3.28Å; R141-S143 PolarHBondContact O-N 3.31Å; S143-R146 PolarHBondContact O-N 2.91Å; S143-N147 WeakPolarHBondContact O-CB 3.36Å; S143-N147 VanDerWaalsContact O-CG 3.22Å; S143-N147 PolarHBondContact O-N 3.04Å; S143-N147 PolarHBondContact O-ND2 3.06Å
144I92.7Very high89.5Confident105 Ų10564.6 Ų64.654%0.53832%0.319SS..Hα-helixtrans-64.1-44.7178.4-69.9162.7000110.8N140 R141 N147 S148N140-I144 WeakPolarHBondContact O-CD1 3.24Å; N140-I144 VanDerWaalsContact O-CG1 3.24Å; N140-I144 WeakPolarHBondContact O-CG1 3.49Å; N140-I144 PolarHBondContact O-N 2.87Å; R141-I144 PolarHBondContact O-N 3.47Å; I144-N147 PolarHBondContact O-N 2.83Å; I144-S148 WeakPolarHBondContact O-CB 3.36Å; I144-S148 PolarHBondContact O-N 3.38Å; I144-S148 PolarHBondContact O-OG 3.49Å
145I93.8Very high90.3Very high10 Ų1060.5 Ų60.55%0.05131%0.31CS..Hα-helixtrans-60-49.6176.7-72.1168.1000109.9R141 V142 N147 S148 V149 V214 I218 L221R141-I145 WeakPolarHBondContact O-CG1 3.47Å; R141-I145 PolarHBondContact O-N 3.3Å; V142-I145 PolarHBondContact O-N 2.87Å; I145-N147 VanDerWaalsContact C-N 3.34Å; I145-N147 PolarHBondContact O-N 3.39Å; I145-S148 WeakPolarHBondContact O-CB 3.33Å; I145-S148 PolarHBondContact O-N 2.71Å; I145-S148 VanDerWaalsContact O-N 3.11Å; I145-V149 HydrophobicContact CG2-CG2 4.25Å; I145-V149 WeakPolarHBondContact O-CG2 3.14Å; I145-V149 PolarHBondContact O-N 2.97Å; I145-V214 HydrophobicContact CG2-CG1 4.4Å; I145-I218 HydrophobicContact CD1-CG1 3.99Å; I145-I218 HydrophobicContact CG1-CG1 4.43Å; I145-I218 HydrophobicContact CG2-CD1 3.81Å; I145-I218 HydrophobicContact CG2-CG1 3.58Å; I145-L221 HydrophobicContact CD1-CB 4.27Å; I145-L221 HydrophobicContact CD1-CD2 3.66Å
146R93.5Very high91.1Very high91 Ų9159.4 Ų59.434%0.34331%0.305SS..Hα-helixtrans-57.1-46.8179-178.1-177.7171.3104.1-3111.9V142 S143 S148 V149 Q150V142-R146 WeakPolarHBondContact O-CB 3.35Å; V142-R146 PolarHBondContact O-N 2.79Å; S143-R146 PolarHBondContact O-N 2.91Å; R146-S148 VanDerWaalsContact C-N 3.31Å; R146-S148 PolarHBondContact O-N 3.34Å; R146-V149 PolarHBondContact O-N 3.5Å; R146-Q150 WeakPolarHBondContact O-CG 3.45Å; R146-Q150 PolarHBondContact O-N 3.21Å
147N93.5Very high91.7Very high79 Ų7958.6 Ų58.642%0.42230%0.302SS..Hα-helixtrans-62.1-40.8177.9-70.4-17.1000111.4S143 I144 I145 V149 Q150 L151S143-N147 WeakPolarHBondContact O-CB 3.36Å; S143-N147 VanDerWaalsContact O-CG 3.22Å; S143-N147 PolarHBondContact O-N 3.04Å; S143-N147 PolarHBondContact O-ND2 3.06Å; I144-N147 PolarHBondContact O-N 2.83Å; I145-N147 VanDerWaalsContact C-N 3.34Å; I145-N147 PolarHBondContact O-N 3.39Å; N147-V149 PolarHBondContact O-N 3.17Å; N147-Q150 PolarHBondContact O-N 2.79Å; N147-L151 WeakPolarHBondContact O-CG 3.28Å; N147-L151 PolarHBondContact O-N 3.27Å
148S93.9Very high92.1Very high39 Ų3957.9 Ų57.927%0.27330%0.298SS..Hα-helixtrans-63.3-41.7177.1-57.40000111.7I144 I145 R146 L151 M152I144-S148 WeakPolarHBondContact O-CB 3.36Å; I144-S148 PolarHBondContact O-N 3.38Å; I144-S148 PolarHBondContact O-OG 3.49Å; I145-S148 WeakPolarHBondContact O-CB 3.33Å; I145-S148 PolarHBondContact O-N 2.71Å; I145-S148 VanDerWaalsContact O-N 3.11Å; R146-S148 VanDerWaalsContact C-N 3.31Å; R146-S148 PolarHBondContact O-N 3.34Å; S148-L151 PolarHBondContact O-N 2.91Å; S148-M152 WeakPolarHBondContact O-CG 3.4Å; S148-M152 PolarHBondContact O-N 2.99Å
149V93.8Very high92.6Very high0 Ų057.8 Ų57.80%030%0.297CS..Hα-helixtrans-64.9-39.7177178.80000112I145 R146 N147 M152 D153 V214 Q266 I267 Q270I145-V149 HydrophobicContact CG2-CG2 4.25Å; I145-V149 WeakPolarHBondContact O-CG2 3.14Å; I145-V149 PolarHBondContact O-N 2.97Å; R146-V149 PolarHBondContact O-N 3.5Å; N147-V149 PolarHBondContact O-N 3.17Å; V149-M152 HydrophobicContact CB-CE 4.23Å; V149-M152 HydrophobicContact CG2-CE 3.96Å; V149-M152 PolarHBondContact O-N 3.4Å; V149-D153 PolarHBondContact O-N 3.47Å; V149-V214 HydrophobicContact CG2-CG1 3.89Å; V149-Q266 HydrophobicContact CG1-CB 3.79Å; V149-Q266 HydrophobicContact CG1-CG 3.71Å; V149-I267 HydrophobicContact CG1-CG1 4.13Å; V149-I267 HydrophobicContact CG2-CD1 4.04Å; V149-I267 HydrophobicContact CG2-CG1 4.12Å; V149-Q270 PolarHBondContact O-NE2 2.89Å; V149-Q270 VanDerWaalsContact O-NE2 3.09Å
150Q92.3Very high92.9Very high89 Ų8956.2 Ų56.242%0.41629%0.288SS..Hα-helixtrans-65-40.6174.3-72-179-1300112.3R146 N147 M152 D153 Q154R146-Q150 WeakPolarHBondContact O-CG 3.45Å; R146-Q150 PolarHBondContact O-N 3.21Å; N147-Q150 PolarHBondContact O-N 2.79Å; Q150-M152 VanDerWaalsContact C-N 3.3Å; Q150-M152 PolarHBondContact O-N 2.97Å; Q150-D153 VanDerWaalsContact O-CB 3.25Å; Q150-D153 WeakPolarHBondContact O-CB 3.4Å; Q150-D153 PolarHBondContact O-N 2.9Å; Q150-Q154 PolarHBondContact O-N 3.02Å
151L92.6Very high93.1Very high128 Ų12855.6 Ų55.667%0.6728%0.284SS*.Hα-helixtrans-64.1-36.5174.6-70.6173.1000112N147 S148 D153 Q154 A155N147-L151 WeakPolarHBondContact O-CG 3.28Å; N147-L151 PolarHBondContact O-N 3.27Å; S148-L151 PolarHBondContact O-N 2.91Å; L151-D153 VanDerWaalsContact C-N 3.31Å; L151-Q154 PolarHBondContact O-N 2.84Å; L151-A155 WeakPolarHBondContact O-CB 3.46Å; L151-A155 PolarHBondContact O-N 3.03Å
152M92.4Very high93.2Very high7 Ų755.4 Ų55.43%0.03429%0.285CS..Hα-helixtrans-65-35.8173.7-69.5-173.1-58.600112S148 V149 Q150 A155 V156 K210 M211 V214 I267S148-M152 WeakPolarHBondContact O-CG 3.4Å; S148-M152 PolarHBondContact O-N 2.99Å; V149-M152 HydrophobicContact CB-CE 4.23Å; V149-M152 HydrophobicContact CG2-CE 3.96Å; V149-M152 PolarHBondContact O-N 3.4Å; Q150-M152 VanDerWaalsContact C-N 3.3Å; Q150-M152 PolarHBondContact O-N 2.97Å; M152-A155 PolarHBondContact O-N 2.82Å; M152-A155 VanDerWaalsContact O-N 3.16Å; M152-V156 WeakPolarHBondContact O-CG2 3.48Å; M152-V156 PolarHBondContact O-N 2.86Å; M152-K210 HydrophobicContact SD-CB 4.46Å; M152-M211 HydrophobicContact CE-CG 4.28Å; M152-M211 HydrophobicContact CG-CG 4.45Å; M152-M211 WeakPolarHBondContact SD-CA 3.4Å; M152-M211 HydrophobicContact SD-CB 3.97Å; M152-M211 HydrophobicContact SD-CG 3.32Å; M152-M211 WeakPolarHBondContact SD-CG 3.3Å; M152-V214 HydrophobicContact CE-CB 3.87Å; M152-V214 HydrophobicContact CE-CG1 3.82Å; M152-V214 HydrophobicContact CE-CG2 3.86Å; M152-V214 HydrophobicContact SD-CB 4.4Å; M152-V214 HydrophobicContact SD-CG2 4.07Å; M152-I267 HydrophobicContact CE-CD1 4.3Å; M152-I267 HydrophobicContact CE-CG1 4.02Å
153D91.3Very high93.3Very high75 Ų7555.2 Ų55.240%0.40128%0.284SS..Hα-helixtrans-59.6-49.7176.7-150.969.4000111.5V149 Q150 L151 A155 V156 K157 Q266 Q270V149-D153 PolarHBondContact O-N 3.47Å; Q150-D153 VanDerWaalsContact O-CB 3.25Å; Q150-D153 WeakPolarHBondContact O-CB 3.4Å; Q150-D153 PolarHBondContact O-N 2.9Å; L151-D153 VanDerWaalsContact C-N 3.31Å; D153-A155 VanDerWaalsContact C-N 3.27Å; D153-A155 PolarHBondContact O-N 3.28Å; D153-V156 PolarHBondContact O-N 3.35Å; D153-K157 PolarHBondContact O-N 3.19Å; D153-Q266 VanDerWaalsContact CG-NE2 3.31Å; D153-Q266 PolarHBondContact OD1-NE2 3.02Å; D153-Q266 VanDerWaalsContact OD1-NE2 3.15Å; D153-Q270 VanDerWaalsContact CB-NE2 3.29Å; D153-Q270 VanDerWaalsContact N-NE2 3.15Å; D153-Q270 PolarHBondContact OD1-NE2 3.39Å
154Q93Very high93.4Very high100 Ų10055.5 Ų55.547%0.46728%0.281SS..Hα-helixtrans-63.1-36.9175.8-173.958.951.600111.5Q150 L151 K157 N158Q150-Q154 PolarHBondContact O-N 3.02Å; L151-Q154 PolarHBondContact O-N 2.84Å; Q154-K157 PolarHBondContact O-N 3.42Å; Q154-N158 PolarHBondContact NE2-OD1 3.35Å; Q154-N158 PolarHBondContact O-N 2.67Å; Q154-N158 PolarHBondContact O-ND2 2.91Å; Q154-N158 PolarHBondContact O-OD1 3.02Å; Q154-N158 VanDerWaalsContact O-OD1 3.1Å
155A92.6Very high93.3Very high28 Ų2854.9 Ų54.923%0.23128%0.279CS..Hα-helixtrans-67.5-4017800000112.2L151 M152 D153 K157 N158 I159 I207L151-A155 WeakPolarHBondContact O-CB 3.46Å; L151-A155 PolarHBondContact O-N 3.03Å; M152-A155 PolarHBondContact O-N 2.82Å; M152-A155 VanDerWaalsContact O-N 3.16Å; D153-A155 VanDerWaalsContact C-N 3.27Å; D153-A155 PolarHBondContact O-N 3.28Å; A155-K157 VanDerWaalsContact C-N 3.35Å; A155-N158 WeakPolarHBondContact O-CB 3.32Å; A155-N158 PolarHBondContact O-N 3.01Å; A155-I159 PolarHBondContact O-N 3Å; A155-I207 HydrophobicContact CB-CD1 3.4Å; A155-I207 HydrophobicContact CB-CG1 3.87Å; A155-I207 VanDerWaalsContact O-CD1 3.27Å; A155-I207 WeakPolarHBondContact O-CD1 3.38Å
156V94.2Very high93.2Very high7 Ų755.4 Ų55.44%0.04228%0.281CS..Hα-helixtrans-63.9-41.9175.2171.50000110.5M152 D153 N158 I159 E160 I207 M211 Q270 K273 L274M152-V156 WeakPolarHBondContact O-CG2 3.48Å; M152-V156 PolarHBondContact O-N 2.86Å; D153-V156 PolarHBondContact O-N 3.35Å; V156-N158 VanDerWaalsContact C-N 3.32Å; V156-N158 PolarHBondContact O-N 3.2Å; V156-I159 WeakPolarHBondContact O-CB 3.35Å; V156-I159 PolarHBondContact O-N 3.3Å; V156-I159 VanDerWaalsContact O-N 3.1Å; V156-E160 PolarHBondContact O-N 2.9Å; V156-I207 HydrophobicContact CG2-CD1 4.41Å; V156-I207 HydrophobicContact CG2-CG2 4.18Å; V156-M211 HydrophobicContact CG2-CE 3.63Å; V156-Q270 HydrophobicContact CG2-CB 4.25Å; V156-Q270 HydrophobicContact CG2-CG 4.42Å; V156-K273 HydrophobicContact CG1-CB 4.33Å; V156-K273 HydrophobicContact CG1-CG 3.96Å; V156-L274 HydrophobicContact CG1-CD2 4.29Å; V156-L274 HydrophobicContact CG1-CG 4.43Å; V156-L274 HydrophobicContact CG2-CD1 4.48Å; V156-L274 HydrophobicContact CG2-CD2 4.29Å; V156-L274 HydrophobicContact CG2-CG 4.31Å
157K94.4Very high93.1Very high114 Ų11453.5 Ų53.550%0.49628%0.278SS..Hα-helixtrans-59.5-42.5173.3-171.8173.5-178.5176.80112.1D153 Q154 A155 I159 E160 D161D153-K157 PolarHBondContact O-N 3.19Å; Q154-K157 PolarHBondContact O-N 3.42Å; A155-K157 VanDerWaalsContact C-N 3.35Å; K157-I159 VanDerWaalsContact C-N 3.27Å; K157-I159 PolarHBondContact O-N 3.43Å; K157-E160 WeakPolarHBondContact O-CB 3.43Å; K157-E160 PolarHBondContact O-N 2.9Å; K157-E160 VanDerWaalsContact O-N 3.12Å; K157-D161 PolarHBondContact O-N 3.37Å
158N94.3Very high92.9Very high65 Ų6556.3 Ų56.335%0.34829%0.286SS..Hα-helixtrans-62.8-32.8175.5-62.5-12.7000112.5Q154 A155 V156 M162Q154-N158 PolarHBondContact NE2-OD1 3.35Å; Q154-N158 PolarHBondContact O-N 2.67Å; Q154-N158 PolarHBondContact O-ND2 2.91Å; Q154-N158 PolarHBondContact O-OD1 3.02Å; Q154-N158 VanDerWaalsContact O-OD1 3.1Å; A155-N158 WeakPolarHBondContact O-CB 3.32Å; A155-N158 PolarHBondContact O-N 3.01Å; V156-N158 VanDerWaalsContact C-N 3.32Å; V156-N158 PolarHBondContact O-N 3.2Å; N158-M162 HydrophobicContact CB-CE 4.35Å; N158-M162 WeakPolarHBondContact O-CB 3.34Å; N158-M162 VanDerWaalsContact O-CG 3.26Å; N158-M162 WeakPolarHBondContact O-CG 3.45Å; N158-M162 PolarHBondContact O-N 2.91Å
159I94Very high92.7Very high2 Ų255.8 Ų55.81%0.0128%0.282CS..Hα-helixtrans-68-42.3173.4-69.3-168.5000110.7A155 V156 K157 D161 M162 Q163 K203 R204 I207 L277A155-I159 PolarHBondContact O-N 3Å; V156-I159 WeakPolarHBondContact O-CB 3.35Å; V156-I159 PolarHBondContact O-N 3.3Å; V156-I159 VanDerWaalsContact O-N 3.1Å; K157-I159 VanDerWaalsContact C-N 3.27Å; K157-I159 PolarHBondContact O-N 3.43Å; I159-D161 VanDerWaalsContact C-N 3.35Å; I159-M162 PolarHBondContact O-N 3.4Å; I159-Q163 HydrophobicContact CG2-CG 4.48Å; I159-Q163 VanDerWaalsContact CG2-OE1 3.32Å; I159-Q163 WeakPolarHBondContact O-CB 3.49Å; I159-Q163 WeakPolarHBondContact O-CG 3.44Å; I159-Q163 PolarHBondContact O-N 3.26Å; I159-K203 HydrophobicContact CD1-CB 4.09Å; I159-K203 HydrophobicContact CG1-CB 4.07Å; I159-R204 HydrophobicContact CD1-CB 4.44Å; I159-R204 HydrophobicContact CD1-CG 3.86Å; I159-R204 HydrophobicContact CG2-CG 4.37Å; I159-I207 HydrophobicContact CD1-CB 4.46Å; I159-I207 HydrophobicContact CD1-CD1 3.31Å; I159-I207 HydrophobicContact CD1-CG1 4.09Å; I159-I207 HydrophobicContact CG1-CD1 3.69Å; I159-L277 HydrophobicContact CG2-CD1 4.16Å
160E94.8Very high92.4Very high44 Ų4460.5 Ų60.521%0.20630%0.301CS..Hα-helixtrans-57-48.7174.8179.3164.9-14700111V156 K157 M162 Q163 D164 K273 L277V156-E160 PolarHBondContact O-N 2.9Å; K157-E160 WeakPolarHBondContact O-CB 3.43Å; K157-E160 PolarHBondContact O-N 2.9Å; K157-E160 VanDerWaalsContact O-N 3.12Å; E160-M162 PolarHBondContact O-N 3.48Å; E160-Q163 WeakPolarHBondContact O-CB 3.41Å; E160-Q163 PolarHBondContact O-N 3.4Å; E160-Q163 VanDerWaalsContact O-N 3.13Å; E160-D164 PolarHBondContact O-N 3.49Å; E160-K273 WeakPolarHBondContact OE1-CE 3.2Å; E160-K273 IonicContact OE1-NZ 3.8Å; E160-K273 PolarHBondContact OE1-NZ 2.86Å; E160-K273 WeakPolarHBondContact OE2-CE 3.4Å; E160-K273 IonicContact OE2-NZ 2.72Å; E160-K273 PolarHBondContact OE2-NZ 2.9Å; E160-L277 HydrophobicContact CB-CD1 4.16Å; E160-L277 HydrophobicContact CB-CD2 3.96Å; E160-L277 HydrophobicContact CG-CD2 3.94Å
161D94.7Very high92.2Very high78 Ų7861.8 Ų61.842%0.41731%0.305SS..Hα-helixtrans-60.4-44.8177.3-63.1-26.7000111.7K157 I159 Q163 D164 D165K157-D161 PolarHBondContact O-N 3.37Å; I159-D161 VanDerWaalsContact C-N 3.35Å; D161-Q163 VanDerWaalsContact C-N 3.27Å; D161-Q163 PolarHBondContact O-N 3.43Å; D161-D164 PolarHBondContact O-N 3.43Å; D161-D165 WeakPolarHBondContact O-CB 3.22Å; D161-D165 PolarHBondContact O-N 2.86Å
162M92.8Very high92Very high39 Ų3958 Ų5819%0.19229%0.287CS..Hα-helixtrans-63.6-32.7176.5-73.4-175.3-142.700112.9N158 I159 E160 F166 K203N158-M162 HydrophobicContact CB-CE 4.35Å; N158-M162 WeakPolarHBondContact O-CB 3.34Å; N158-M162 VanDerWaalsContact O-CG 3.26Å; N158-M162 WeakPolarHBondContact O-CG 3.45Å; N158-M162 PolarHBondContact O-N 2.91Å; I159-M162 PolarHBondContact O-N 3.4Å; E160-M162 PolarHBondContact O-N 3.48Å; M162-F166 WeakPolarHBondContact O-CB 3.12Å; M162-F166 PolarHBondContact O-N 3.16Å; M162-F166 VanDerWaalsContact O-N 3.08Å; M162-K203 HydrophobicContact CE-CD 4.4Å; M162-K203 HydrophobicContact CE-CG 4.14Å; M162-K203 HydrophobicContact SD-CG 4.15Å
163Q93.3Very high91.5Very high2 Ų259.9 Ų59.91%0.00930%0.297CS..Hα-helixtrans-71.5-43175.8-86.2-175.6-105.700112.2I159 E160 D161 D165 F166 D167 L200 R204 L277I159-Q163 HydrophobicContact CG2-CG 4.48Å; I159-Q163 VanDerWaalsContact CG2-OE1 3.32Å; I159-Q163 WeakPolarHBondContact O-CB 3.49Å; I159-Q163 WeakPolarHBondContact O-CG 3.44Å; I159-Q163 PolarHBondContact O-N 3.26Å; E160-Q163 WeakPolarHBondContact O-CB 3.41Å; E160-Q163 PolarHBondContact O-N 3.4Å; E160-Q163 VanDerWaalsContact O-N 3.13Å; D161-Q163 VanDerWaalsContact C-N 3.27Å; D161-Q163 PolarHBondContact O-N 3.43Å; Q163-D165 VanDerWaalsContact C-N 3.33Å; Q163-F166 PolarHBondContact O-N 2.98Å; Q163-D167 WeakPolarHBondContact O-CB 3.19Å; Q163-D167 PolarHBondContact O-N 3.41Å; Q163-L200 HydrophobicContact CB-CD1 4.36Å; Q163-L200 HydrophobicContact CG-CD1 3.31Å; Q163-L200 HydrophobicContact CG-CG 4.2Å; Q163-R204 VanDerWaalsContact OE1-NH2 3.1Å; Q163-L277 PolarHBondContact NE2-O 3.43Å
164D92.9Very high91.1Very high64 Ų6460.9 Ų60.934%0.34230%0.3SS..Hα-helixtrans-67-37.8178.3-69.8-17.3000110.5E160 D161 D167 F168 K280E160-D164 PolarHBondContact O-N 3.49Å; D161-D164 PolarHBondContact O-N 3.43Å; D164-D167 PolarHBondContact O-N 2.89Å; D164-F168 WeakPolarHBondContact O-CB 3.38Å; D164-F168 PolarHBondContact O-N 3.31Å; D164-K280 IonicContact OD1-NZ 3.5Å; D164-K280 PolarHBondContact OD1-NZ 3.23Å; D164-K280 IonicContact OD2-NZ 3.3Å
165D92Very high90.4Very high91 Ų9159.6 Ų59.649%0.48730%0.302SS..Hα-helixtrans-60.1-44.8170.4-83-13.4000112.3D161 Q163 C169 M196D161-D165 WeakPolarHBondContact O-CB 3.22Å; D161-D165 PolarHBondContact O-N 2.86Å; Q163-D165 VanDerWaalsContact C-N 3.33Å; D165-C169 WeakPolarHBondContact O-CB 3.37Å; D165-C169 PolarHBondContact O-N 3.35Å; D165-C169 PolarHBondContact O-SG 3.13Å; D165-M196 HydrophobicContact CB-CE 3.93Å
166F91.6Very high89.3Confident22 Ų2266.5 Ų66.510%0.09632%0.321CS..Hα-helixtrans-62.6-48.9177174.5-90.1000111.1M162 Q163 F168 C169 Y170 L193 M196 L197 V281M162-F166 WeakPolarHBondContact O-CB 3.12Å; M162-F166 PolarHBondContact O-N 3.16Å; M162-F166 VanDerWaalsContact O-N 3.08Å; Q163-F166 PolarHBondContact O-N 2.98Å; F166-F168 VanDerWaalsContact C-N 3.33Å; F166-F168 PolarHBondContact O-N 2.97Å; F166-C169 PolarHBondContact O-N 3.35Å; F166-Y170 VanDerWaalsContact O-CB 3.24Å; F166-Y170 WeakPolarHBondContact O-CB 3.41Å; F166-Y170 PolarHBondContact O-N 3.13Å; F166-L193 HydrophobicContact CD2-CD2 4.01Å; F166-L193 HydrophobicContact CE2-CB 4.12Å; F166-L193 HydrophobicContact CE2-CD2 3.88Å; F166-L193 WeakPolarHBondContact CE2-O 3.43Å; F166-M196 HydrophobicContact CB-CE 4.1Å; F166-M196 HydrophobicContact CD2-CB 3.97Å; F166-L197 HydrophobicContact CE2-CB 4.08Å; F166-L197 HydrophobicContact CE2-CD1 4.3Å; F166-L197 HydrophobicContact CZ-CD1 4.24Å; F166-V281 HydrophobicContact CD1-CG1 4.29Å; F166-V281 HydrophobicContact CD1-CG2 4.18Å; F166-V281 HydrophobicContact CE1-CG1 4.13Å
167D90.4Very high87.6Confident50 Ų5072 Ų7227%0.26735%0.347SS..Hα-helixtrans-60.7-42179.1-178.555.2000111.5Q163 D164 Y170 K171Q163-D167 WeakPolarHBondContact O-CB 3.19Å; Q163-D167 PolarHBondContact O-N 3.41Å; D164-D167 PolarHBondContact O-N 2.89Å; D167-Y170 PolarHBondContact O-N 3.21Å; D167-K171 WeakPolarHBondContact O-CB 3.49Å; D167-K171 WeakPolarHBondContact O-CG 3.32Å; D167-K171 PolarHBondContact O-N 3.02Å; D167-K171 WeakPolarHBondContact OD1-CE 3.38Å; D167-K171 IonicContact OD1-NZ 3.32Å; D167-K171 PolarHBondContact OD1-NZ 3.36Å; D167-K171 WeakPolarHBondContact OD2-CE 2.95Å; D167-K171 IonicContact OD2-NZ 2.66Å; D167-K171 PolarHBondContact OD2-NZ 2.95Å
168F90.8Very high85.8Confident139 Ų13971.8 Ų71.861%0.6136%0.36SS*.Hα-helixtrans-60.6-49.4174.4177.5-98.8000112.1D164 F166 Y170 T172D164-F168 WeakPolarHBondContact O-CB 3.38Å; D164-F168 PolarHBondContact O-N 3.31Å; F166-F168 VanDerWaalsContact C-N 3.33Å; F166-F168 PolarHBondContact O-N 2.97Å; F168-Y170 VanDerWaalsContact C-N 3.34Å; F168-Y170 PolarHBondContact O-N 2.84Å; F168-T172 VanDerWaalsContact O-CB 3.32Å; F168-T172 WeakPolarHBondContact O-CB 3.16Å; F168-T172 PolarHBondContact O-N 3Å; F168-T172 PolarHBondContact O-OG1 3.16Å
169C88.2Confident83.9Confident27 Ų2772.1 Ų72.118%0.18237%0.371CS..Hα-helixtrans-63.4-39.7177.8-79.20000112D165 F166 T172 L173 L193 M196D165-C169 WeakPolarHBondContact O-CB 3.37Å; D165-C169 PolarHBondContact O-N 3.35Å; D165-C169 PolarHBondContact O-SG 3.13Å; F166-C169 PolarHBondContact O-N 3.35Å; C169-T172 PolarHBondContact O-N 2.86Å; C169-L173 WeakPolarHBondContact O-CB 3.46Å; C169-L173 WeakPolarHBondContact O-CG 3.4Å; C169-L173 PolarHBondContact O-N 2.93Å; C169-L193 HydrophobicContact CB-CD2 3.85Å; C169-M196 HydrophobicContact CB-CE 4.5Å; C169-M196 HydrophobicContact CB-SD 4.39Å
170Y87.6Confident82Confident99 Ų9980.3 Ų80.339%0.38842%0.415SS..Hα-helixtrans-64.3-50.7178.7-177.8-102.8000111.8F166 D167 F168 T172 L173 Q174 L193F166-Y170 VanDerWaalsContact O-CB 3.24Å; F166-Y170 WeakPolarHBondContact O-CB 3.41Å; F166-Y170 PolarHBondContact O-N 3.13Å; D167-Y170 PolarHBondContact O-N 3.21Å; F168-Y170 VanDerWaalsContact C-N 3.34Å; F168-Y170 PolarHBondContact O-N 2.84Å; Y170-T172 VanDerWaalsContact C-N 3.32Å; Y170-T172 PolarHBondContact O-N 3.3Å; Y170-L173 PolarHBondContact O-N 3.22Å; Y170-Q174 HydrophobicContact CD1-CG 4.49Å; Y170-Q174 VanDerWaalsContact CE1-CD 3.47Å; Y170-Q174 HydrophobicContact CE1-CG 4.13Å; Y170-Q174 PolarHBondContact O-N 3.29Å; Y170-Q174 PolarHBondContact OH-NE2 3.4Å; Y170-L193 HydrophobicContact CD2-CD1 3.93Å
171K89Confident80Confident116 Ų11687.9 Ų87.950%0.50444%0.442SS..Hα-helixtrans-61.7-39.4176.1-73.7171.7176.2163.90112.3D167 L173 Q174 S175D167-K171 WeakPolarHBondContact O-CB 3.49Å; D167-K171 WeakPolarHBondContact O-CG 3.32Å; D167-K171 PolarHBondContact O-N 3.02Å; D167-K171 WeakPolarHBondContact OD1-CE 3.38Å; D167-K171 IonicContact OD1-NZ 3.32Å; D167-K171 PolarHBondContact OD1-NZ 3.36Å; D167-K171 WeakPolarHBondContact OD2-CE 2.95Å; D167-K171 IonicContact OD2-NZ 2.66Å; D167-K171 PolarHBondContact OD2-NZ 2.95Å; K171-L173 VanDerWaalsContact C-N 3.34Å; K171-L173 PolarHBondContact O-N 2.81Å; K171-Q174 PolarHBondContact O-N 2.8Å; K171-S175 PolarHBondContact O-N 3.04Å
172T87.1Confident78.3Confident48 Ų4888.5 Ų88.529%0.29445%0.449SS..Hα-helixtrans-62.2-42.8176.5-58.80000111.1F168 C169 Y170 S175 R176F168-T172 VanDerWaalsContact O-CB 3.32Å; F168-T172 WeakPolarHBondContact O-CB 3.16Å; F168-T172 PolarHBondContact O-N 3Å; F168-T172 PolarHBondContact O-OG1 3.16Å; C169-T172 PolarHBondContact O-N 2.86Å; Y170-T172 VanDerWaalsContact C-N 3.32Å; Y170-T172 PolarHBondContact O-N 3.3Å; T172-S175 PolarHBondContact O-OG 2.65Å; T172-R176 PolarHBondContact O-N 3.21Å
173L83.6Confident77.1Confident48 Ų4890 Ų9025%0.25146%0.463SS..Hα-helixtrans-67.4-44.4176.7-79.2163.2000112.2C169 Y170 K171 S175 R176 E177 L193C169-L173 WeakPolarHBondContact O-CB 3.46Å; C169-L173 WeakPolarHBondContact O-CG 3.4Å; C169-L173 PolarHBondContact O-N 2.93Å; Y170-L173 PolarHBondContact O-N 3.22Å; K171-L173 VanDerWaalsContact C-N 3.34Å; K171-L173 PolarHBondContact O-N 2.81Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 2.95Å; L173-R176 PolarHBondContact O-N 3.35Å; L173-R176 VanDerWaalsContact O-N 3.14Å; L173-E177 PolarHBondContact O-N 2.85Å; L173-L193 HydrophobicContact CD1-CD1 3.39Å; L173-L193 HydrophobicContact CD1-CD2 4.28Å; L173-L193 HydrophobicContact CD1-CG 3.68Å
174Q81.4Confident76Confident96 Ų9696.5 Ų96.545%0.44949%0.493SS..Hα-helixtrans-58.3-41.6174.9-78.6-168.7-19.200112.6Y170 K171 R176 E177Y170-Q174 HydrophobicContact CD1-CG 4.49Å; Y170-Q174 VanDerWaalsContact CE1-CD 3.47Å; Y170-Q174 HydrophobicContact CE1-CG 4.13Å; Y170-Q174 PolarHBondContact O-N 3.29Å; Y170-Q174 PolarHBondContact OH-NE2 3.4Å; K171-Q174 PolarHBondContact O-N 2.8Å; Q174-R176 VanDerWaalsContact C-N 3.25Å; Q174-R176 PolarHBondContact O-N 2.88Å; Q174-E177 PolarHBondContact O-N 3.5Å
175S79.8Confident74.9Confident73 Ų7399.5 Ų99.551%0.5151%0.507SS..Hα-helixtrans-63.6-31.7178.772.60000112.8K171 T172 L173 S178K171-S175 PolarHBondContact O-N 3.04Å; T172-S175 PolarHBondContact O-OG 2.65Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 2.95Å; S175-S178 PolarHBondContact O-OG 2.63Å
176R69.6Low74Confident172 Ų17297.4 Ų97.465%0.64950%0.495SS*.Hα-helixtrans-80.7-19.7179.5-77.9-178.8171.8-171.6-2.4114.2T172 L173 Q174 S178 A179T172-R176 PolarHBondContact O-N 3.21Å; L173-R176 PolarHBondContact O-N 3.35Å; L173-R176 VanDerWaalsContact O-N 3.14Å; Q174-R176 VanDerWaalsContact C-N 3.25Å; Q174-R176 PolarHBondContact O-N 2.88Å; R176-S178 PolarHBondContact O-N 2.96Å; R176-S178 VanDerWaalsContact O-N 3.11Å; R176-A179 PolarHBondContact O-N 3.21Å
177E57.4Low73.5Confident123 Ų123102.6 Ų102.658%0.57552%0.518SS*.THydrogen-bonded Turntrans-62.2-16.6174.9-74.9-174.6146.900113.2L173 Q174L173-E177 PolarHBondContact O-N 2.85Å; Q174-E177 PolarHBondContact O-N 3.5Å
178S55.9Low73.1Confident109 Ų109106.6 Ų106.676%0.76254%0.535SS*.THydrogen-bonded Turntrans-82.8-11.4177.769.10000115.3S175 R176S175-S178 PolarHBondContact O-OG 2.63Å; R176-S178 PolarHBondContact O-N 2.96Å; R176-S178 VanDerWaalsContact O-N 3.11Å
179A54.8Low72.6Confident72 Ų72100.5 Ų100.560%0.59551%0.512SS*.SBendtrans-132.6111.8-176.400000112.2R176R176-A179 PolarHBondContact O-N 3.21Å
180D53.6Low72.5Confident175 Ų175103.9 Ų103.994%0.93653%0.527SS*.  trans33.6125.3163.5-114.5-16.9000121.1
181R53.6Low72.5Confident203 Ų203103 Ų10377%0.76653%0.531SS*.  trans-97.6137-160.5-71.3-177.3173.3177.5-2.6116.3I186R181-I186 HydrophobicContact CG-CD1 4.07Å
182T59.9Low72.5Confident90 Ų90104.9 Ų104.955%0.55254%0.536SS*.  trans-113.8115138.6-390000108.7E184 M185T182-E184 PolarHBondContact O-N 3.29Å; T182-E184 VanDerWaalsContact O-N 3.1Å; T182-M185 PolarHBondContact O-N 3.29Å
183S66.1Low72.6Confident71 Ų71103.6 Ų103.650%0.49753%0.527SS..Hα-helixtrans-54.7-29.7-174.2-178.20000114K187S183-K187 WeakPolarHBondContact O-CG 3.26Å; S183-K187 PolarHBondContact O-N 3.35Å
184E70.4Confident72.9Confident138 Ų138106 Ų10665%0.64554%0.537SS*.Hα-helixtrans-74.4-38-178.3-68-178161.200113.8T182 I186 K187 Q188T182-E184 PolarHBondContact O-N 3.29Å; T182-E184 VanDerWaalsContact O-N 3.1Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 2.79Å; E184-K187 PolarHBondContact O-N 2.96Å; E184-Q188 WeakPolarHBondContact O-CG 3.49Å; E184-Q188 PolarHBondContact O-N 3.41Å
185M69.4Low73.4Confident127 Ų127107.4 Ų107.463%0.62654%0.543SS*.Hα-helixtrans-67.1-35.7178-81.3-171.6101.900112.1T182 Q188 G189T182-M185 PolarHBondContact O-N 3.29Å; M185-Q188 PolarHBondContact O-N 2.9Å; M185-G189 PolarHBondContact O-N 2.99Å
186I74.8Confident74Confident48 Ų48105.2 Ų105.225%0.24653%0.525CS..Hα-helixtrans-68.4-43.5176.8-62.8175.8000110.1R181 E184 Q188 G189 I190R181-I186 HydrophobicContact CG-CD1 4.07Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 2.79Å; I186-Q188 PolarHBondContact O-N 3.09Å; I186-G189 PolarHBondContact O-N 3.03Å; I186-I190 HydrophobicContact CG2-CD1 4.04Å; I186-I190 WeakPolarHBondContact O-CG1 3.5Å; I186-I190 PolarHBondContact O-N 3.18Å
187K79.7Confident75Confident131 Ų13198.5 Ų98.557%0.5750%0.502SS*.Hα-helixtrans-59.1-44.5174.7-74.1177.7-177.9-177.10112S183 E184 G189 I190 T191S183-K187 WeakPolarHBondContact O-CG 3.26Å; S183-K187 PolarHBondContact O-N 3.35Å; E184-K187 PolarHBondContact O-N 2.96Å; K187-G189 VanDerWaalsContact C-N 3.34Å; K187-G189 PolarHBondContact O-N 3.41Å; K187-I190 PolarHBondContact O-N 2.95Å; K187-T191 PolarHBondContact O-N 3.09Å; K187-T191 PolarHBondContact O-OG1 3.33Å
188Q81.5Confident76.7Confident133 Ų13396.9 Ų96.962%0.62150%0.497SS*.Hα-helixtrans-62.5-39.2175.7-73.1175.5-1.200112.5E184 M185 I186 T191 R192E184-Q188 WeakPolarHBondContact O-CG 3.49Å; E184-Q188 PolarHBondContact O-N 3.41Å; M185-Q188 PolarHBondContact O-N 2.9Å; I186-Q188 PolarHBondContact O-N 3.09Å; Q188-T191 PolarHBondContact O-N 3.13Å; Q188-R192 WeakPolarHBondContact O-CB 3.23Å; Q188-R192 PolarHBondContact O-N 3.08Å
189G81.6Confident78.5Confident12 Ų1298 Ų9812%0.12449%0.485CS..Hα-helixtrans-61.8-43.7174.600000113.1M185 I186 K187 R192 L193M185-G189 PolarHBondContact O-N 2.99Å; I186-G189 PolarHBondContact O-N 3.03Å; K187-G189 VanDerWaalsContact C-N 3.34Å; K187-G189 PolarHBondContact O-N 3.41Å; G189-R192 PolarHBondContact O-N 3.23Å; G189-L193 WeakPolarHBondContact O-CG 3.39Å; G189-L193 PolarHBondContact O-N 3.11Å
190I84.8Confident80.3Confident98 Ų9894.7 Ų94.750%0.50346%0.457SS..Hα-helixtrans-65.1-44.1177.1-66.6168000111.1I186 K187 R192 L193 Q194I186-I190 HydrophobicContact CG2-CD1 4.04Å; I186-I190 WeakPolarHBondContact O-CG1 3.5Å; I186-I190 PolarHBondContact O-N 3.18Å; K187-I190 PolarHBondContact O-N 2.95Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 3.46Å; I190-L193 PolarHBondContact O-N 3.49Å; I190-Q194 PolarHBondContact O-N 2.89Å
191T88.3Confident82.2Confident79 Ų7987.7 Ų87.749%0.48542%0.42SS..Hα-helixtrans-59.4-43176.4-52.60000111.4K187 Q188 L193 Q194 E195K187-T191 PolarHBondContact O-N 3.09Å; K187-T191 PolarHBondContact O-OG1 3.33Å; Q188-T191 PolarHBondContact O-N 3.13Å; T191-L193 PolarHBondContact O-N 3.3Å; T191-Q194 PolarHBondContact O-N 3.48Å; T191-E195 WeakPolarHBondContact O-CG 3.43Å; T191-E195 PolarHBondContact O-N 3.34Å
192R88.9Confident84.1Confident157 Ų15784.1 Ų84.159%0.59241%0.41SS*.Hα-helixtrans-62.2-42.4176.7-178178174.2176.8-1.3112.4Q188 G189 I190 Q194 E195 M196Q188-R192 WeakPolarHBondContact O-CB 3.23Å; Q188-R192 PolarHBondContact O-N 3.08Å; G189-R192 PolarHBondContact O-N 3.23Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 3.46Å; R192-Q194 VanDerWaalsContact C-N 3.34Å; R192-E195 PolarHBondContact O-N 2.93Å; R192-M196 HydrophobicContact CG-SD 4.35Å; R192-M196 VanDerWaalsContact O-CG 3.31Å; R192-M196 WeakPolarHBondContact O-CG 3.31Å; R192-M196 PolarHBondContact O-N 3.3Å
193L88.9Confident85.7Confident20 Ų2083 Ų8311%0.10540%0.397CS..Hα-helixtrans-62.7-41.1175.3-73.9174.5000111.7F166 C169 Y170 L173 G189 I190 T191 E195 M196 L197F166-L193 HydrophobicContact CD2-CD2 4.01Å; F166-L193 HydrophobicContact CE2-CB 4.12Å; F166-L193 HydrophobicContact CE2-CD2 3.88Å; F166-L193 WeakPolarHBondContact CE2-O 3.43Å; C169-L193 HydrophobicContact CB-CD2 3.85Å; Y170-L193 HydrophobicContact CD2-CD1 3.93Å; L173-L193 HydrophobicContact CD1-CD1 3.39Å; L173-L193 HydrophobicContact CD1-CD2 4.28Å; L173-L193 HydrophobicContact CD1-CG 3.68Å; G189-L193 WeakPolarHBondContact O-CG 3.39Å; G189-L193 PolarHBondContact O-N 3.11Å; I190-L193 PolarHBondContact O-N 3.49Å; T191-L193 PolarHBondContact O-N 3.3Å; L193-E195 PolarHBondContact O-N 3.36Å; L193-M196 PolarHBondContact O-N 3.39Å; L193-L197 WeakPolarHBondContact O-CB 3.13Å; L193-L197 PolarHBondContact O-N 2.99Å
194Q90Very high87.1Confident100 Ų10079.6 Ų79.647%0.46737%0.374SS..Hα-helixtrans-63.5-41.3176.9-171.762.649.600111.8I190 T191 R192 L197 N198I190-Q194 PolarHBondContact O-N 2.89Å; T191-Q194 PolarHBondContact O-N 3.48Å; R192-Q194 VanDerWaalsContact C-N 3.34Å; Q194-L197 PolarHBondContact O-N 2.83Å; Q194-N198 PolarHBondContact NE2-OD1 3.09Å; Q194-N198 WeakPolarHBondContact O-CB 3.38Å; Q194-N198 PolarHBondContact O-N 2.94Å; Q194-N198 PolarHBondContact O-ND2 3.31Å; Q194-N198 PolarHBondContact O-OD1 2.9Å
195E91.8Very high88.2Confident125 Ų12577.8 Ų77.858%0.58436%0.364SS*.Hα-helixtrans-61.9-42.6174.5-73.2174.8179.700112.1T191 R192 L193 N198 R199T191-E195 WeakPolarHBondContact O-CG 3.43Å; T191-E195 PolarHBondContact O-N 3.34Å; R192-E195 PolarHBondContact O-N 2.93Å; L193-E195 PolarHBondContact O-N 3.36Å; E195-N198 PolarHBondContact O-N 2.97Å; E195-R199 WeakPolarHBondContact O-CB 3.49Å; E195-R199 PolarHBondContact O-N 2.94Å
196M92.9Very high89.4Confident26 Ų2674.3 Ų74.313%0.12835%0.346CS..Hα-helixtrans-62.4-43.6175.8-70.8175.572.200111.5D165 F166 C169 R192 L193 R199 L200D165-M196 HydrophobicContact CB-CE 3.93Å; F166-M196 HydrophobicContact CB-CE 4.1Å; F166-M196 HydrophobicContact CD2-CB 3.97Å; C169-M196 HydrophobicContact CB-CE 4.5Å; C169-M196 HydrophobicContact CB-SD 4.39Å; R192-M196 HydrophobicContact CG-SD 4.35Å; R192-M196 VanDerWaalsContact O-CG 3.31Å; R192-M196 WeakPolarHBondContact O-CG 3.31Å; R192-M196 PolarHBondContact O-N 3.3Å; L193-M196 PolarHBondContact O-N 3.39Å; M196-R199 PolarHBondContact O-N 3.32Å; M196-L200 WeakPolarHBondContact O-CB 3.49Å; M196-L200 PolarHBondContact O-N 3.49Å
197L91.1Very high90.4Very high31 Ų3172.3 Ų72.316%0.16234%0.335CS..Hα-helixtrans-65.7-42.3177.8-167.768.8000111.9F166 L193 Q194 R199 L200 D201 V281 Y283F166-L197 HydrophobicContact CE2-CB 4.08Å; F166-L197 HydrophobicContact CE2-CD1 4.3Å; F166-L197 HydrophobicContact CZ-CD1 4.24Å; L193-L197 WeakPolarHBondContact O-CB 3.13Å; L193-L197 PolarHBondContact O-N 2.99Å; Q194-L197 PolarHBondContact O-N 2.83Å; L197-R199 VanDerWaalsContact C-N 3.32Å; L197-R199 PolarHBondContact O-N 3.41Å; L197-L200 WeakPolarHBondContact O-CB 3.37Å; L197-L200 PolarHBondContact O-N 3.01Å; L197-D201 PolarHBondContact O-N 3.5Å; L197-V281 HydrophobicContact CD1-CG1 4.3Å; L197-Y283 HydrophobicContact CD1-CD1 3.84Å; L197-Y283 HydrophobicContact CD1-CE1 4.17Å; L197-Y283 HydrophobicContact CG-CD1 4.44Å
198N92.8Very high91.1Very high90 Ų9066.1 Ų66.148%0.48131%0.309SS..Hα-helixtrans-62.3-40.2175.7-69.9-11.5000111.7Q194 E195 D201 F202Q194-N198 PolarHBondContact NE2-OD1 3.09Å; Q194-N198 WeakPolarHBondContact O-CB 3.38Å; Q194-N198 PolarHBondContact O-N 2.94Å; Q194-N198 PolarHBondContact O-ND2 3.31Å; Q194-N198 PolarHBondContact O-OD1 2.9Å; E195-N198 PolarHBondContact O-N 2.97Å; N198-D201 PolarHBondContact O-N 2.71Å; N198-F202 WeakPolarHBondContact O-CB 3.26Å; N198-F202 PolarHBondContact O-N 3.19Å
199R93.5Very high91.7Very high133 Ų13363.1 Ų63.150%0.50230%0.303SS..Hα-helixtrans-65.9-40.2176.2-170.6172.573.7179.63.8111.6E195 M196 L197 K203E195-R199 WeakPolarHBondContact O-CB 3.49Å; E195-R199 PolarHBondContact O-N 2.94Å; M196-R199 PolarHBondContact O-N 3.32Å; L197-R199 VanDerWaalsContact C-N 3.32Å; L197-R199 PolarHBondContact O-N 3.41Å; R199-K203 VanDerWaalsContact O-CG 3.3Å; R199-K203 WeakPolarHBondContact O-CG 3.3Å; R199-K203 PolarHBondContact O-N 3.32Å
200L93.2Very high92.3Very high1 Ų167.6 Ų67.61%0.00532%0.318CS..Hα-helixtrans-64.7-44.7175.7178.1160.5000111.2Q163 M196 L197 K203 R204 Y283Q163-L200 HydrophobicContact CB-CD1 4.36Å; Q163-L200 HydrophobicContact CG-CD1 3.31Å; Q163-L200 HydrophobicContact CG-CG 4.2Å; M196-L200 WeakPolarHBondContact O-CB 3.49Å; M196-L200 PolarHBondContact O-N 3.49Å; L197-L200 WeakPolarHBondContact O-CB 3.37Å; L197-L200 PolarHBondContact O-N 3.01Å; L200-K203 PolarHBondContact O-N 2.97Å; L200-R204 HydrophobicContact CD2-CG 4.2Å; L200-R204 WeakPolarHBondContact O-CG 3.27Å; L200-R204 PolarHBondContact O-N 3.21Å; L200-Y283 HydrophobicContact CD2-CE1 3.82Å
201D93.2Very high92.7Very high28 Ų2862.9 Ų62.915%0.1530%0.295CS..Hα-helixtrans-60.5-46.5175.417865.8000112.3L197 N198 K203 R204 K205 Y283L197-D201 PolarHBondContact O-N 3.5Å; N198-D201 PolarHBondContact O-N 2.71Å; D201-K203 VanDerWaalsContact C-N 3.28Å; D201-K203 PolarHBondContact O-N 2.92Å; D201-R204 PolarHBondContact O-N 2.9Å; D201-K205 WeakPolarHBondContact O-CG 3.42Å; D201-K205 PolarHBondContact O-N 3.26Å; D201-K205 WeakPolarHBondContact OD1-CE 3.45Å; D201-K205 IonicContact OD1-NZ 3.15Å; D201-K205 VanDerWaalsContact OD2-CE 3.23Å; D201-K205 WeakPolarHBondContact OD2-CE 3.38Å; D201-K205 IonicContact OD2-NZ 2.72Å; D201-K205 PolarHBondContact OD2-NZ 3.29Å; D201-Y283 WeakPolarHBondContact CA-OH 3.3Å; D201-Y283 HydrophobicContact CB-CE2 4.16Å; D201-Y283 VanDerWaalsContact CB-OH 3.25Å; D201-Y283 WeakPolarHBondContact CB-OH 3.38Å; D201-Y283 VanDerWaalsContact OD1-CE2 3.28Å; D201-Y283 WeakPolarHBondContact OD1-CE2 3.44Å; D201-Y283 PolarHBondContact OD1-OH 3.44Å
202F94.3Very high93Very high129 Ų12961.3 Ų61.357%0.56628%0.283SS*.Hα-helixtrans-55.7-45.3174.3178.5-93000111.4N198 K205 E206N198-F202 WeakPolarHBondContact O-CB 3.26Å; N198-F202 PolarHBondContact O-N 3.19Å; F202-K205 PolarHBondContact O-N 2.91Å; F202-E206 WeakPolarHBondContact O-CB 3.22Å; F202-E206 PolarHBondContact O-N 2.96Å
203K93.5Very high93.4Very high65 Ų6557.6 Ų57.628%0.28328%0.277SS..Hα-helixtrans-66.5-40.3178.8-72.8-73.3163.9-161.10112.5I159 M162 R199 L200 D201 E206 I207I159-K203 HydrophobicContact CD1-CB 4.09Å; I159-K203 HydrophobicContact CG1-CB 4.07Å; M162-K203 HydrophobicContact CE-CD 4.4Å; M162-K203 HydrophobicContact CE-CG 4.14Å; M162-K203 HydrophobicContact SD-CG 4.15Å; R199-K203 VanDerWaalsContact O-CG 3.3Å; R199-K203 WeakPolarHBondContact O-CG 3.3Å; R199-K203 PolarHBondContact O-N 3.32Å; L200-K203 PolarHBondContact O-N 2.97Å; D201-K203 VanDerWaalsContact C-N 3.28Å; D201-K203 PolarHBondContact O-N 2.92Å; K203-E206 WeakPolarHBondContact CD-OE2 3.03Å; K203-E206 IonicContact NZ-OE2 3.7Å; K203-E206 PolarHBondContact NZ-OE2 3.47Å; K203-E206 PolarHBondContact O-N 3.35Å; K203-I207 WeakPolarHBondContact O-CG1 3.47Å; K203-I207 PolarHBondContact O-N 3.25Å
204R94.6Very high93.7Very high1 Ų157.2 Ų57.20%0.00428%0.276CS..Hα-helixtrans-60.1-46.9174.7-73.2-177.1170.6-172.72.3111.6I159 Q163 L200 D201 I207 L208 V281 D286 P287 I288I159-R204 HydrophobicContact CD1-CB 4.44Å; I159-R204 HydrophobicContact CD1-CG 3.86Å; I159-R204 HydrophobicContact CG2-CG 4.37Å; Q163-R204 VanDerWaalsContact OE1-NH2 3.1Å; L200-R204 HydrophobicContact CD2-CG 4.2Å; L200-R204 WeakPolarHBondContact O-CG 3.27Å; L200-R204 PolarHBondContact O-N 3.21Å; D201-R204 PolarHBondContact O-N 2.9Å; R204-I207 PolarHBondContact O-N 3.01Å; R204-L208 VanDerWaalsContact O-CG 3.3Å; R204-L208 WeakPolarHBondContact O-CG 3.32Å; R204-L208 PolarHBondContact O-N 3.48Å; R204-V281 PolarHBondContact NH1-O 3.24Å; R204-V281 PolarHBondContact NH2-O 2.75Å; R204-D286 IonicContact CZ-OD2 2.84Å; R204-D286 IonicContact NH1-OD1 3.98Å; R204-D286 PolarHBondContact NH1-OD1 3.37Å; R204-D286 IonicContact NH1-OD2 3.02Å; R204-D286 PolarHBondContact NH1-OD2 2.95Å; R204-P287 HydrophobicContact CB-CG 3.84Å; R204-I288 HydrophobicContact CB-CD1 4.46Å; R204-I288 HydrophobicContact CB-CG1 4.4Å; R204-I288 VanDerWaalsContact CD-CD1 3.46Å; R204-I288 HydrophobicContact CG-CD1 3.86Å; R204-I288 HydrophobicContact CG-CG1 4.32Å
205K94.3Very high94Very high100 Ų10052.5 Ų52.544%0.43525%0.254SS..Hα-helixtrans-61.7-44.3176.1-69.6175.7178.2158.70112.1D201 F202 S209 P287D201-K205 WeakPolarHBondContact O-CG 3.42Å; D201-K205 PolarHBondContact O-N 3.26Å; D201-K205 WeakPolarHBondContact OD1-CE 3.45Å; D201-K205 IonicContact OD1-NZ 3.15Å; D201-K205 VanDerWaalsContact OD2-CE 3.23Å; D201-K205 WeakPolarHBondContact OD2-CE 3.38Å; D201-K205 IonicContact OD2-NZ 2.72Å; D201-K205 PolarHBondContact OD2-NZ 3.29Å; F202-K205 PolarHBondContact O-N 2.91Å; K205-S209 WeakPolarHBondContact O-CB 3.48Å; K205-S209 PolarHBondContact O-N 2.91Å; K205-P287 HydrophobicContact CG-CB 4.01Å; K205-P287 HydrophobicContact CG-CG 3.79Å
206E94.5Very high94.1Very high53 Ų5351.2 Ų51.225%0.24825%0.247CC..Hα-helixtrans-59.8-47178.5-174.7-173179.600111.7F202 K203 K210F202-E206 WeakPolarHBondContact O-CB 3.22Å; F202-E206 PolarHBondContact O-N 2.96Å; K203-E206 WeakPolarHBondContact CD-OE2 3.03Å; K203-E206 IonicContact NZ-OE2 3.7Å; K203-E206 PolarHBondContact NZ-OE2 3.47Å; K203-E206 PolarHBondContact O-N 3.35Å; E206-K210 HydrophobicContact CG-CD 4.43Å; E206-K210 WeakPolarHBondContact O-CG 3.35Å; E206-K210 PolarHBondContact O-N 2.97Å; E206-K210 WeakPolarHBondContact OE1-CE 3.23Å; E206-K210 IonicContact OE1-NZ 2.75Å; E206-K210 PolarHBondContact OE1-NZ 3.02Å
207I94.2Very high94.2Very high6 Ų654.3 Ų54.33%0.03126%0.261CS..Hα-helixtrans-67.3-46-179.2-68-173.6000111.4A155 V156 I159 K203 R204 S209 K210 M211A155-I207 HydrophobicContact CB-CD1 3.4Å; A155-I207 HydrophobicContact CB-CG1 3.87Å; A155-I207 VanDerWaalsContact O-CD1 3.27Å; A155-I207 WeakPolarHBondContact O-CD1 3.38Å; V156-I207 HydrophobicContact CG2-CD1 4.41Å; V156-I207 HydrophobicContact CG2-CG2 4.18Å; I159-I207 HydrophobicContact CD1-CB 4.46Å; I159-I207 HydrophobicContact CD1-CD1 3.31Å; I159-I207 HydrophobicContact CD1-CG1 4.09Å; I159-I207 HydrophobicContact CG1-CD1 3.69Å; K203-I207 WeakPolarHBondContact O-CG1 3.47Å; K203-I207 PolarHBondContact O-N 3.25Å; R204-I207 PolarHBondContact O-N 3.01Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 3.46Å; I207-K210 PolarHBondContact O-N 3.4Å; I207-K210 VanDerWaalsContact O-N 3.17Å; I207-M211 HydrophobicContact CG2-CE 3.57Å; I207-M211 HydrophobicContact CG2-CG 4.18Å; I207-M211 HydrophobicContact CG2-SD 3.9Å; I207-M211 WeakPolarHBondContact O-CB 3.32Å; I207-M211 WeakPolarHBondContact O-CG 3.5Å; I207-M211 PolarHBondContact O-N 3.07Å
208L94.6Very high94.4Very high1 Ų152.8 Ų52.81%0.00525%0.253CS..Hα-helixtrans-61-40.9179.3-70.3167000111.5R204 M211 D212 L274 P287 I288 Q291 M295R204-L208 VanDerWaalsContact O-CG 3.3Å; R204-L208 WeakPolarHBondContact O-CG 3.32Å; R204-L208 PolarHBondContact O-N 3.48Å; L208-M211 PolarHBondContact O-N 2.74Å; L208-D212 PolarHBondContact O-N 2.83Å; L208-L274 HydrophobicContact CD2-CD1 4.24Å; L208-P287 HydrophobicContact CD1-CB 3.67Å; L208-P287 HydrophobicContact CD1-CG 3.95Å; L208-I288 HydrophobicContact CD1-CG1 3.99Å; L208-Q291 HydrophobicContact CD1-CB 4.48Å; L208-M295 HydrophobicContact CD2-SD 3.98Å
209S94.4Very high94.5Very high71 Ų7150.3 Ų50.350%0.49724%0.24SC..Hα-helixtrans-62.1-44174.4177.90000112.3K205 I207 D212 V213K205-S209 WeakPolarHBondContact O-CB 3.48Å; K205-S209 PolarHBondContact O-N 2.91Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 3.46Å; S209-D212 PolarHBondContact O-N 3.02Å; S209-V213 WeakPolarHBondContact O-CG2 3.37Å; S209-V213 PolarHBondContact O-N 2.82Å
210K93.9Very high94.5Very high105 Ų10547.4 Ų47.446%0.45723%0.234SC..Hα-helixtrans-64.6-41.4176.2-72.7178.4-173.3173.90112.1M152 E206 I207 D212 V213 V214M152-K210 HydrophobicContact SD-CB 4.46Å; E206-K210 HydrophobicContact CG-CD 4.43Å; E206-K210 WeakPolarHBondContact O-CG 3.35Å; E206-K210 PolarHBondContact O-N 2.97Å; E206-K210 WeakPolarHBondContact OE1-CE 3.23Å; E206-K210 IonicContact OE1-NZ 2.75Å; E206-K210 PolarHBondContact OE1-NZ 3.02Å; I207-K210 PolarHBondContact O-N 3.4Å; I207-K210 VanDerWaalsContact O-N 3.17Å; K210-D212 PolarHBondContact O-N 3.5Å; K210-V213 PolarHBondContact O-N 2.78Å; K210-V214 WeakPolarHBondContact O-CG2 3.36Å; K210-V214 PolarHBondContact O-N 2.77Å
211M95Very high94.5Very high0 Ų047.4 Ų47.40%023%0.234CC..Hα-helixtrans-60.7-43.4176-77.3177.8174.900111.7M152 V156 I207 L208 V213 V214 I215 Q270 L271 L274 M295M152-M211 HydrophobicContact CE-CG 4.28Å; M152-M211 HydrophobicContact CG-CG 4.45Å; M152-M211 WeakPolarHBondContact SD-CA 3.4Å; M152-M211 HydrophobicContact SD-CB 3.97Å; M152-M211 HydrophobicContact SD-CG 3.32Å; M152-M211 WeakPolarHBondContact SD-CG 3.3Å; V156-M211 HydrophobicContact CG2-CE 3.63Å; I207-M211 HydrophobicContact CG2-CE 3.57Å; I207-M211 HydrophobicContact CG2-CG 4.18Å; I207-M211 HydrophobicContact CG2-SD 3.9Å; I207-M211 WeakPolarHBondContact O-CB 3.32Å; I207-M211 WeakPolarHBondContact O-CG 3.5Å; I207-M211 PolarHBondContact O-N 3.07Å; L208-M211 PolarHBondContact O-N 2.74Å; M211-V213 PolarHBondContact O-N 2.66Å; M211-V214 PolarHBondContact O-N 2.99Å; M211-I215 WeakPolarHBondContact O-CD1 3.38Å; M211-I215 VanDerWaalsContact O-CG1 3.23Å; M211-I215 WeakPolarHBondContact O-CG1 3.5Å; M211-I215 PolarHBondContact O-N 3.2Å; M211-Q270 HydrophobicContact CE-CB 3.65Å; M211-Q270 HydrophobicContact CE-CG 4.46Å; M211-L271 HydrophobicContact SD-CD2 4.01Å; M211-L274 HydrophobicContact CE-CD1 3.89Å; M211-L274 HydrophobicContact SD-CD1 3.91Å; M211-M295 HydrophobicContact CB-CE 3.36Å
212D94.4Very high94.5Very high46 Ų4646.7 Ų46.725%0.24623%0.23CC..Hα-helixtrans-62.4-41.4177.6177.561.6000112.2L208 S209 K210 I215 K216 M295L208-D212 PolarHBondContact O-N 2.83Å; S209-D212 PolarHBondContact O-N 3.02Å; K210-D212 PolarHBondContact O-N 3.5Å; D212-I215 PolarHBondContact O-N 3Å; D212-K216 WeakPolarHBondContact O-CG 3.41Å; D212-K216 PolarHBondContact O-N 3.25Å; D212-K216 WeakPolarHBondContact OD1-CE 3.34Å; D212-K216 IonicContact OD1-NZ 3.23Å; D212-K216 VanDerWaalsContact OD2-CE 3.23Å; D212-K216 WeakPolarHBondContact OD2-CE 3.18Å; D212-K216 IonicContact OD2-NZ 3.16Å; D212-K216 PolarHBondContact OD2-NZ 2.89Å; D212-M295 HydrophobicContact CB-CE 3.99Å; D212-M295 VanDerWaalsContact N-CE 3.29Å
213V95.6Very high94.3Very high78 Ų7843.3 Ų43.347%0.47322%0.22SC..Hα-helixtrans-60.8-47.5174.61740000110.8S209 K210 M211 I215 K216 E217S209-V213 WeakPolarHBondContact O-CG2 3.37Å; S209-V213 PolarHBondContact O-N 2.82Å; K210-V213 PolarHBondContact O-N 2.78Å; M211-V213 PolarHBondContact O-N 2.66Å; V213-I215 PolarHBondContact O-N 3.47Å; V213-K216 PolarHBondContact O-N 3.1Å; V213-E217 WeakPolarHBondContact O-CG 3.44Å; V213-E217 PolarHBondContact O-N 2.93Å
214V95.4Very high94.1Very high12 Ų1242.9 Ų42.97%0.07323%0.225CC..Hα-helixtrans-64.6-39.7179.8175.40000111.6I145 V149 M152 K210 M211 K216 E217 I218 I267I145-V214 HydrophobicContact CG2-CG1 4.4Å; V149-V214 HydrophobicContact CG2-CG1 3.89Å; M152-V214 HydrophobicContact CE-CB 3.87Å; M152-V214 HydrophobicContact CE-CG1 3.82Å; M152-V214 HydrophobicContact CE-CG2 3.86Å; M152-V214 HydrophobicContact SD-CB 4.4Å; M152-V214 HydrophobicContact SD-CG2 4.07Å; K210-V214 WeakPolarHBondContact O-CG2 3.36Å; K210-V214 PolarHBondContact O-N 2.77Å; M211-V214 PolarHBondContact O-N 2.99Å; V214-K216 VanDerWaalsContact C-N 3.33Å; V214-K216 PolarHBondContact O-N 2.84Å; V214-E217 PolarHBondContact O-N 3.03Å; V214-I218 HydrophobicContact CG1-CD1 4.02Å; V214-I218 HydrophobicContact CG1-CG1 4.49Å; V214-I218 WeakPolarHBondContact O-CG1 3.37Å; V214-I218 PolarHBondContact O-N 3.39Å; V214-I267 HydrophobicContact CG1-CD1 3.96Å
215I95.9Very high93.7Very high1 Ų144.8 Ų44.81%0.00523%0.234CC..Hα-helixtrans-62.4-41.6176.3-69.2163.8000110.7M211 D212 V213 I218 D219 I267 M295 R298 V299 L302M211-I215 WeakPolarHBondContact O-CD1 3.38Å; M211-I215 VanDerWaalsContact O-CG1 3.23Å; M211-I215 WeakPolarHBondContact O-CG1 3.5Å; M211-I215 PolarHBondContact O-N 3.2Å; D212-I215 PolarHBondContact O-N 3Å; V213-I215 PolarHBondContact O-N 3.47Å; I215-I218 PolarHBondContact O-N 3.43Å; I215-D219 WeakPolarHBondContact O-CB 3.31Å; I215-D219 PolarHBondContact O-N 3.21Å; I215-I267 HydrophobicContact CD1-CG2 4.16Å; I215-I267 HydrophobicContact CG1-CD1 4.29Å; I215-I267 HydrophobicContact CG1-CG2 4.23Å; I215-M295 HydrophobicContact CD1-CB 4.14Å; I215-M295 HydrophobicContact CD1-CE 3.69Å; I215-R298 HydrophobicContact CG2-CB 4.4Å; I215-R298 HydrophobicContact CG2-CG 3.81Å; I215-V299 HydrophobicContact CD1-CG2 3.67Å; I215-V299 HydrophobicContact CG1-CG2 3.89Å; I215-L302 HydrophobicContact CG2-CD1 3.95Å
216K95.3Very high93.5Very high99 Ų9940.2 Ų40.243%0.4321%0.214SC..Hα-helixtrans-64.4-40.7175.5-74.7168.2177.5166.20112.3D212 V213 V214 D219 D220D212-K216 WeakPolarHBondContact O-CG 3.41Å; D212-K216 PolarHBondContact O-N 3.25Å; D212-K216 WeakPolarHBondContact OD1-CE 3.34Å; D212-K216 IonicContact OD1-NZ 3.23Å; D212-K216 VanDerWaalsContact OD2-CE 3.23Å; D212-K216 WeakPolarHBondContact OD2-CE 3.18Å; D212-K216 IonicContact OD2-NZ 3.16Å; D212-K216 PolarHBondContact OD2-NZ 2.89Å; V213-K216 PolarHBondContact O-N 3.1Å; V214-K216 VanDerWaalsContact C-N 3.33Å; V214-K216 PolarHBondContact O-N 2.84Å; K216-D219 PolarHBondContact O-N 3.41Å; K216-D220 PolarHBondContact O-N 2.93Å
217E94.9Very high93.3Very high90 Ų9043.8 Ų43.842%0.42123%0.226SC..Hα-helixtrans-64.4-38.5175.2-74.8-62.8152.200112.5R141 V213 V214 D220 L221R141-E217 IonicContact NH2-OE2 2.94Å; R141-E217 PolarHBondContact NH2-OE2 2.73Å; V213-E217 WeakPolarHBondContact O-CG 3.44Å; V213-E217 PolarHBondContact O-N 2.93Å; V214-E217 PolarHBondContact O-N 3.03Å; E217-D220 PolarHBondContact O-N 2.88Å; E217-L221 WeakPolarHBondContact O-CB 3.31Å; E217-L221 PolarHBondContact O-N 2.94Å
218I95Very high93.1Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-65.3-43.3174.9-68.7167.8000110.9I145 V214 I215 L221 M222 T260 L264 I267 L302I145-I218 HydrophobicContact CD1-CG1 3.99Å; I145-I218 HydrophobicContact CG1-CG1 4.43Å; I145-I218 HydrophobicContact CG2-CD1 3.81Å; I145-I218 HydrophobicContact CG2-CG1 3.58Å; V214-I218 HydrophobicContact CG1-CD1 4.02Å; V214-I218 HydrophobicContact CG1-CG1 4.49Å; V214-I218 WeakPolarHBondContact O-CG1 3.37Å; V214-I218 PolarHBondContact O-N 3.39Å; I215-I218 PolarHBondContact O-N 3.43Å; I218-L221 PolarHBondContact O-N 3.1Å; I218-M222 HydrophobicContact CG2-CG 4.37Å; I218-M222 HydrophobicContact CG2-SD 4.1Å; I218-M222 WeakPolarHBondContact O-CB 3.48Å; I218-M222 VanDerWaalsContact O-CG 3.3Å; I218-M222 WeakPolarHBondContact O-CG 3.24Å; I218-M222 PolarHBondContact O-N 3.48Å; I218-T260 HydrophobicContact CG2-CG2 3.88Å; I218-L264 HydrophobicContact CD1-CD2 3.98Å; I218-L264 HydrophobicContact CD1-CG 4.38Å; I218-L264 HydrophobicContact CG2-CD1 4.19Å; I218-L264 HydrophobicContact CG2-CD2 3.77Å; I218-L264 HydrophobicContact CG2-CG 4.01Å; I218-I267 HydrophobicContact CD1-CD1 3.63Å; I218-L302 HydrophobicContact CG2-CD1 4.38Å
219D95.1Very high92.9Very high38 Ų3846.7 Ų46.720%0.20324%0.243CC..Hα-helixtrans-61.4-44.8177.2-168.616.3000111.6I215 K216 M222 T223 R298 L302I215-D219 WeakPolarHBondContact O-CB 3.31Å; I215-D219 PolarHBondContact O-N 3.21Å; K216-D219 PolarHBondContact O-N 3.41Å; D219-M222 PolarHBondContact O-N 3.01Å; D219-T223 WeakPolarHBondContact O-CB 3.48Å; D219-T223 WeakPolarHBondContact O-CG2 3.4Å; D219-T223 PolarHBondContact O-N 3.3Å; D219-T223 PolarHBondContact O-OG1 3.28Å; D219-R298 IonicContact OD2-CZ 3.88Å; D219-R298 IonicContact OD2-NE 2.86Å; D219-R298 IonicContact OD2-NH2 2.79Å; D219-R298 PolarHBondContact OD2-NH2 3.46Å; D219-L302 HydrophobicContact CB-CD1 4.24Å; D219-L302 HydrophobicContact CB-CD2 3.9Å; D219-L302 WeakPolarHBondContact OD1-CD2 3.45Å
220D94.3Very high92.7Very high71 Ų7143.5 Ų43.538%0.3822%0.221SC..Hα-helixtrans-62-46.8173.7-179.777.5000111.9R141 K216 E217 M222 T223 S224R141-D220 IonicContact CZ-OD2 3.12Å; R141-D220 VanDerWaalsContact CZ-OD2 3.29Å; R141-D220 IonicContact NH1-OD2 2.77Å; R141-D220 PolarHBondContact NH1-OD2 3.01Å; R141-D220 IonicContact NH2-OD2 3.25Å; R141-D220 PolarHBondContact NH2-OD2 3.43Å; K216-D220 PolarHBondContact O-N 2.93Å; E217-D220 PolarHBondContact O-N 2.88Å; D220-M222 VanDerWaalsContact C-N 3.3Å; D220-M222 PolarHBondContact O-N 3.38Å; D220-T223 PolarHBondContact O-N 3.2Å; D220-T223 PolarHBondContact O-OG1 2.91Å; D220-S224 VanDerWaalsContact O-CB 3.28Å; D220-S224 WeakPolarHBondContact O-CB 3.26Å; D220-S224 PolarHBondContact O-N 3.47Å; D220-S224 PolarHBondContact O-OG 3.18Å; D220-S224 PolarHBondContact OD2-OG 3.44Å
221L93Very high92.5Very high1 Ų143.2 Ų43.21%0.00522%0.221CC..Hα-helixtrans-57.1-44.9176.2177.871.5000111.4M138 R141 V142 I145 E217 I218 T223 Q225 L226M138-L221 HydrophobicContact CG-CD1 4.35Å; R141-L221 HydrophobicContact CB-CD1 4.08Å; V142-L221 HydrophobicContact CG2-CD2 3.79Å; I145-L221 HydrophobicContact CD1-CB 4.27Å; I145-L221 HydrophobicContact CD1-CD2 3.66Å; E217-L221 WeakPolarHBondContact O-CB 3.31Å; E217-L221 PolarHBondContact O-N 2.94Å; I218-L221 PolarHBondContact O-N 3.1Å; L221-T223 PolarHBondContact O-N 2.87Å; L221-Q225 HydrophobicContact CD1-CB 4.24Å; L221-Q225 PolarHBondContact O-N 3.44Å; L221-L226 PolarHBondContact O-N 3.37Å
222M92.1Very high92.2Very high13 Ų1346.4 Ų46.46%0.06424%0.238CC..Iπ-helixtrans-65-38.8-179.6-77.7-176.759.300112.7I218 D219 D220 L226 R227 T260 L264 L302 H305 L306I218-M222 HydrophobicContact CG2-CG 4.37Å; I218-M222 HydrophobicContact CG2-SD 4.1Å; I218-M222 WeakPolarHBondContact O-CB 3.48Å; I218-M222 VanDerWaalsContact O-CG 3.3Å; I218-M222 WeakPolarHBondContact O-CG 3.24Å; I218-M222 PolarHBondContact O-N 3.48Å; D219-M222 PolarHBondContact O-N 3.01Å; D220-M222 VanDerWaalsContact C-N 3.3Å; D220-M222 PolarHBondContact O-N 3.38Å; M222-L226 HydrophobicContact CG-CD2 4.39Å; M222-R227 VanDerWaalsContact O-CB 3.31Å; M222-R227 WeakPolarHBondContact O-CB 3.36Å; M222-R227 PolarHBondContact O-N 2.71Å; M222-R227 VanDerWaalsContact O-N 3.12Å; M222-T260 HydrophobicContact CG-CG2 4.35Å; M222-L264 HydrophobicContact SD-CD1 4.31Å; M222-L302 HydrophobicContact CE-CD2 4.48Å; M222-L302 WeakPolarHBondContact CE-O 3.24Å; M222-L302 HydrophobicContact SD-CB 4.23Å; M222-L302 HydrophobicContact SD-CD2 3.98Å; M222-H305 HydrophobicContact CE-CB 4.38Å; M222-L306 HydrophobicContact CE-CB 3.6Å; M222-L306 HydrophobicContact CE-CD1 3.98Å; M222-L306 HydrophobicContact CE-CG 4.36Å; M222-L306 HydrophobicContact CG-CD1 4.4Å; M222-L306 HydrophobicContact SD-CB 4.21Å; M222-L306 HydrophobicContact SD-CD1 4.23Å
223T90.6Very high92.1Very high58 Ų5844.2 Ų44.236%0.35623%0.227SC..Iπ-helixtrans-86.1-43.6-175.150.50000113.2D219 D220 L221 P228D219-T223 WeakPolarHBondContact O-CB 3.48Å; D219-T223 WeakPolarHBondContact O-CG2 3.4Å; D219-T223 PolarHBondContact O-N 3.3Å; D219-T223 PolarHBondContact O-OG1 3.28Å; D220-T223 PolarHBondContact O-N 3.2Å; D220-T223 PolarHBondContact O-OG1 2.91Å; L221-T223 PolarHBondContact O-N 2.87Å; T223-P228 WeakPolarHBondContact O-CD 3.27Å
224S88.2Confident91.8Very high57 Ų5743.5 Ų43.540%0.39922%0.217SC..Iπ-helixtrans-84.9-27.8-173.868.60000114.1D220D220-S224 VanDerWaalsContact O-CB 3.28Å; D220-S224 WeakPolarHBondContact O-CB 3.26Å; D220-S224 PolarHBondContact O-N 3.47Å; D220-S224 PolarHBondContact O-OG 3.18Å; D220-S224 PolarHBondContact OD2-OG 3.44Å
225Q86.9Confident91.6Very high41 Ų4144.8 Ų44.819%0.19222%0.221CC..Iπ-helixtrans-125-55.7-171.6-69.4-172.8-2.600113N137 M138 L221 R227 P228 E229N137-Q225 PolarHBondContact OD1-NE2 3.02Å; M138-Q225 HydrophobicContact CE-CB 3.98Å; L221-Q225 HydrophobicContact CD1-CB 4.24Å; L221-Q225 PolarHBondContact O-N 3.44Å; Q225-R227 PolarHBondContact O-N 2.91Å; Q225-P228 WeakPolarHBondContact O-CD 3.45Å; Q225-E229 WeakPolarHBondContact O-CB 3.41Å; Q225-E229 PolarHBondContact O-N 3.4Å
226L90.2Very high91.2Very high4 Ų446.9 Ų46.92%0.02123%0.229CC..Iπ-helixtrans-66.6-42.8-171.4-16668.4000112.6M138 L221 M222 L230 W256 F257 L306M138-L226 HydrophobicContact SD-CD1 4.2Å; L221-L226 PolarHBondContact O-N 3.37Å; M222-L226 HydrophobicContact CG-CD2 4.39Å; L226-L230 WeakPolarHBondContact O-CB 3.34Å; L226-L230 PolarHBondContact O-N 2.96Å; L226-L230 VanDerWaalsContact O-N 3.08Å; L226-W256 HydrophobicContact CD1-CB 3.94Å; L226-F257 HydrophobicContact CD1-CD2 3.64Å; L226-F257 HydrophobicContact CD1-CE2 3.46Å; L226-F257 VanDerWaalsContact CD1-CE2 3.46Å; L226-F257 HydrophobicContact CD1-CG 4.49Å; L226-F257 HydrophobicContact CD1-CZ 4.19Å; L226-F257 HydrophobicContact CD2-CD1 4.15Å; L226-F257 HydrophobicContact CD2-CD2 4.04Å; L226-F257 HydrophobicContact CD2-CE1 3.92Å; L226-F257 HydrophobicContact CD2-CE2 3.81Å; L226-F257 HydrophobicContact CD2-CG 4.21Å; L226-F257 HydrophobicContact CD2-CZ 3.73Å; L226-F257 HydrophobicContact CG-CD2 4.01Å; L226-F257 HydrophobicContact CG-CE1 4.38Å; L226-F257 HydrophobicContact CG-CE2 3.47Å; L226-F257 VanDerWaalsContact CG-CE2 3.47Å; L226-F257 HydrophobicContact CG-CZ 3.68Å; L226-L306 HydrophobicContact CD2-CD1 3.47Å; L226-L306 VanDerWaalsContact CD2-CD1 3.47Å
227R90.1Very high91.1Very high128 Ų12842.9 Ų42.948%0.48321%0.211SC..Hα-helixtrans-66.9-48.9179179.2-170-56.1175.63.9112.2M222 Q225 L230 Q231M222-R227 VanDerWaalsContact O-CB 3.31Å; M222-R227 WeakPolarHBondContact O-CB 3.36Å; M222-R227 PolarHBondContact O-N 2.71Å; M222-R227 VanDerWaalsContact O-N 3.12Å; Q225-R227 PolarHBondContact O-N 2.91Å; R227-L230 PolarHBondContact O-N 2.97Å; R227-Q231 WeakPolarHBondContact O-CG 3.42Å; R227-Q231 PolarHBondContact O-N 3.14Å; R227-Q231 VanDerWaalsContact O-N 3.13Å
228P90.3Very high90.9Very high53 Ų5338.9 Ų38.934%0.34419%0.192SC..Hα-helixtrans-57-46.7173.5-28.936.8000113.4T223 Q225 L230 Q231 D232T223-P228 WeakPolarHBondContact O-CD 3.27Å; Q225-P228 WeakPolarHBondContact O-CD 3.45Å; P228-L230 VanDerWaalsContact C-N 3.28Å; P228-L230 PolarHBondContact O-N 3.22Å; P228-Q231 WeakPolarHBondContact O-CA 3.3Å; P228-Q231 WeakPolarHBondContact O-CB 3.41Å; P228-Q231 PolarHBondContact O-N 3.35Å; P228-D232 PolarHBondContact O-N 3.36Å
229E90.1Very high90.7Very high14 Ų1438.9 Ų38.97%0.06519%0.193CC..Hα-helixtrans-62.5-35.8-179.6-175.561.3-148.200112.1M138 Q225 D232 W233 R236 L253 W256M138-E229 HydrophobicContact CE-CB 3.97Å; M138-E229 HydrophobicContact CE-CG 4.15Å; Q225-E229 WeakPolarHBondContact O-CB 3.41Å; Q225-E229 PolarHBondContact O-N 3.4Å; E229-D232 PolarHBondContact O-N 3.41Å; E229-W233 WeakPolarHBondContact O-CB 3.36Å; E229-W233 PolarHBondContact O-N 3.12Å; E229-R236 IonicContact OE1-CZ 3.41Å; E229-R236 IonicContact OE1-NH2 3.6Å; E229-R236 PolarHBondContact OE1-NH2 2.94Å; E229-L253 HydrophobicContact CB-CD2 4.48Å; E229-L253 HydrophobicContact CG-CD2 3.88Å; E229-W256 HydrophobicContact CG-CZ3 3.92Å
230L91Very high90.4Very high4 Ų438.4 Ų38.42%0.02119%0.194CC..Hα-helixtrans-64.6-39.1172.6-178.865000112.1L226 R227 P228 W233 K234 L253 F257 S309 V312 L342L226-L230 WeakPolarHBondContact O-CB 3.34Å; L226-L230 PolarHBondContact O-N 2.96Å; L226-L230 VanDerWaalsContact O-N 3.08Å; R227-L230 PolarHBondContact O-N 2.97Å; P228-L230 VanDerWaalsContact C-N 3.28Å; P228-L230 PolarHBondContact O-N 3.22Å; L230-W233 HydrophobicContact CD1-CE3 4.45Å; L230-W233 PolarHBondContact O-N 3.32Å; L230-K234 WeakPolarHBondContact O-CG 3.3Å; L230-K234 PolarHBondContact O-N 2.96Å; L230-L253 HydrophobicContact CD1-CD1 4.48Å; L230-F257 HydrophobicContact CB-CZ 4.48Å; L230-F257 HydrophobicContact CD2-CZ 3.96Å; L230-S309 VanDerWaalsContact CD2-O 3.3Å; L230-S309 WeakPolarHBondContact CD2-O 3.24Å; L230-V312 HydrophobicContact CD1-CG1 4.15Å; L230-L342 HydrophobicContact CD1-CD1 3.89Å
231Q89.9Confident90.2Very high100 Ų10035.8 Ų35.847%0.46718%0.182SC..Hα-helixtrans-68.7-42.5176.1-62.6-59.7-18.300111.2R227 P228 W233 K234 R235R227-Q231 WeakPolarHBondContact O-CG 3.42Å; R227-Q231 PolarHBondContact O-N 3.14Å; R227-Q231 VanDerWaalsContact O-N 3.13Å; P228-Q231 WeakPolarHBondContact O-CA 3.3Å; P228-Q231 WeakPolarHBondContact O-CB 3.41Å; P228-Q231 PolarHBondContact O-N 3.35Å; Q231-W233 VanDerWaalsContact C-N 3.28Å; Q231-W233 PolarHBondContact O-N 2.99Å; Q231-K234 WeakPolarHBondContact O-CB 3.43Å; Q231-K234 PolarHBondContact O-N 3.36Å; Q231-K234 VanDerWaalsContact O-N 3.12Å; Q231-R235 PolarHBondContact O-N 3.36Å
232D88.6Confident90.1Very high67 Ų6735.7 Ų35.736%0.35818%0.182SC..Hα-helixtrans-61.5-38175.2-71.5-6000111.2R134 P228 E229 R235 R236R134-D232 IonicContact NH1-OD2 3.23Å; P228-D232 PolarHBondContact O-N 3.36Å; E229-D232 PolarHBondContact O-N 3.41Å; D232-R235 PolarHBondContact O-N 3.21Å; D232-R236 WeakPolarHBondContact O-CB 3.23Å; D232-R236 WeakPolarHBondContact O-CG 3.47Å; D232-R236 PolarHBondContact O-N 2.94Å; D232-R236 PolarHBondContact O-NE 3.5Å
233W90.9Very high89.7Confident0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-66.1-42.6172.6-18086.1000112.5E229 L230 Q231 R235 R236 Q237 L247 L250 L253 V312E229-W233 WeakPolarHBondContact O-CB 3.36Å; E229-W233 PolarHBondContact O-N 3.12Å; L230-W233 HydrophobicContact CD1-CE3 4.45Å; L230-W233 PolarHBondContact O-N 3.32Å; Q231-W233 VanDerWaalsContact C-N 3.28Å; Q231-W233 PolarHBondContact O-N 2.99Å; W233-R235 VanDerWaalsContact C-N 3.31Å; W233-R235 PolarHBondContact O-N 3.5Å; W233-R236 PolarHBondContact O-N 3.37Å; W233-Q237 PolarHBondContact O-N 3.34Å; W233-L247 HydrophobicContact CZ2-CD2 3.79Å; W233-L247 HydrophobicContact CZ2-CG 4.47Å; W233-L250 HydrophobicContact CD2-CD1 4.43Å; W233-L250 HydrophobicContact CH2-CD1 3.97Å; W233-L250 HydrophobicContact CZ2-CB 4.33Å; W233-L250 HydrophobicContact CZ2-CD1 3.53Å; W233-L250 HydrophobicContact CZ2-CD2 4.03Å; W233-L250 HydrophobicContact CZ2-CG 4.18Å; W233-L253 HydrophobicContact CB-CD1 3.61Å; W233-L253 HydrophobicContact CD2-CD1 4.03Å; W233-L253 HydrophobicContact CG-CD1 3.48Å; W233-L253 VanDerWaalsContact CG-CD1 3.48Å; W233-V312 HydrophobicContact CZ3-CB 4.44Å; W233-V312 HydrophobicContact CZ3-CG2 4.46Å
234K90.8Very high89.4Confident62 Ų6233.8 Ų33.827%0.2718%0.177SC..Hα-helixtrans-61.8-39.5174.4-74.6179-179.8-175.10111.7L230 Q231 Q237 Q238L230-K234 WeakPolarHBondContact O-CG 3.3Å; L230-K234 PolarHBondContact O-N 2.96Å; Q231-K234 WeakPolarHBondContact O-CB 3.43Å; Q231-K234 PolarHBondContact O-N 3.36Å; Q231-K234 VanDerWaalsContact O-N 3.12Å; K234-Q237 WeakPolarHBondContact O-CB 3.37Å; K234-Q237 PolarHBondContact O-N 3.16Å; K234-Q238 WeakPolarHBondContact O-CG 3.48Å; K234-Q238 PolarHBondContact O-N 3.45Å
235R90.1Very high88.9Confident39 Ų3932.2 Ų32.215%0.14717%0.165CC..Hα-helixtrans-64-45.8174.3-178.754.8174.8170.12.1111.5L126 Q231 D232 W233 Q237 Q238 I239 N467 L468 T470 D471L126-R235 HydrophobicContact CD2-CG 4.46Å; Q231-R235 PolarHBondContact O-N 3.36Å; D232-R235 PolarHBondContact O-N 3.21Å; W233-R235 VanDerWaalsContact C-N 3.31Å; W233-R235 PolarHBondContact O-N 3.5Å; R235-Q237 VanDerWaalsContact C-N 3.27Å; R235-Q237 PolarHBondContact O-N 3.15Å; R235-Q238 WeakPolarHBondContact O-CB 3.44Å; R235-Q238 PolarHBondContact O-N 3.12Å; R235-I239 WeakPolarHBondContact O-CG1 3.5Å; R235-I239 PolarHBondContact O-N 2.99Å; R235-N467 PolarHBondContact NH1-O 3.39Å; R235-L468 PolarHBondContact NH2-O 2.72Å; R235-T470 PolarHBondContact NH1-O 2.89Å; R235-D471 WeakPolarHBondContact CD-OD1 3.19Å; R235-D471 IonicContact CZ-OD1 3.08Å; R235-D471 IonicContact NE-OD1 2.8Å; R235-D471 PolarHBondContact NE-OD1 3.48Å; R235-D471 IonicContact NH1-OD1 3.4Å; R235-D471 PolarHBondContact NH1-OD1 2.88Å; R235-D471 IonicContact NH2-OD1 2.67Å
236R89.1Confident88.3Confident46 Ų4637.1 Ų37.117%0.17419%0.192CC..Hα-helixtrans-59.1-38.4172.5-75.8177.5-72.4166.4-8.7112L126 E229 D232 W233 I239 A240 L247L126-R236 HydrophobicContact CD2-CG 4Å; E229-R236 IonicContact OE1-CZ 3.41Å; E229-R236 IonicContact OE1-NH2 3.6Å; E229-R236 PolarHBondContact OE1-NH2 2.94Å; D232-R236 WeakPolarHBondContact O-CB 3.23Å; D232-R236 WeakPolarHBondContact O-CG 3.47Å; D232-R236 PolarHBondContact O-N 2.94Å; D232-R236 PolarHBondContact O-NE 3.5Å; W233-R236 PolarHBondContact O-N 3.37Å; R236-I239 PolarHBondContact O-N 2.98Å; R236-A240 VanDerWaalsContact O-CB 3.27Å; R236-A240 WeakPolarHBondContact O-CB 3.43Å; R236-A240 PolarHBondContact O-N 3.13Å; R236-L247 HydrophobicContact CB-CD1 3.96Å
237Q91.6Very high87.8Confident14 Ų1439.6 Ų39.67%0.06521%0.205CC..Hα-helixtrans-65.1-41.6175.3-174.1-1715900112.2W233 K234 R235 I239 A240 A241 L247 V313 E314W233-Q237 PolarHBondContact O-N 3.34Å; K234-Q237 WeakPolarHBondContact O-CB 3.37Å; K234-Q237 PolarHBondContact O-N 3.16Å; R235-Q237 VanDerWaalsContact C-N 3.27Å; R235-Q237 PolarHBondContact O-N 3.15Å; Q237-I239 VanDerWaalsContact C-N 3.34Å; Q237-A240 PolarHBondContact O-N 3.48Å; Q237-A241 WeakPolarHBondContact O-CB 3.32Å; Q237-A241 PolarHBondContact O-N 3.36Å; Q237-L247 HydrophobicContact CB-CD1 4.15Å; Q237-L247 HydrophobicContact CB-CD2 3.97Å; Q237-L247 HydrophobicContact CG-CD2 3.88Å; Q237-V313 PolarHBondContact NE2-O 3.42Å; Q237-V313 PolarHBondContact OE1-O 3.44Å; Q237-E314 PolarHBondContact NE2-O 3.29Å
238Q90.7Very high87.2Confident6 Ų637.7 Ų37.73%0.02821%0.208CC..Hα-helixtrans-58.9-46174.5-75.4170.8-16.300111.6K234 R235 A241 L445 N467K234-Q238 WeakPolarHBondContact O-CG 3.48Å; K234-Q238 PolarHBondContact O-N 3.45Å; R235-Q238 WeakPolarHBondContact O-CB 3.44Å; R235-Q238 PolarHBondContact O-N 3.12Å; Q238-A241 WeakPolarHBondContact O-CB 3.38Å; Q238-A241 PolarHBondContact O-N 3.08Å; Q238-L445 HydrophobicContact CB-CD1 4.3Å; Q238-L445 HydrophobicContact CG-CD1 3.58Å; Q238-L445 HydrophobicContact CG-CD2 3.48Å; Q238-L445 VanDerWaalsContact CG-CD2 3.48Å; Q238-L445 HydrophobicContact CG-CG 4.17Å; Q238-L445 VanDerWaalsContact NE2-CD2 3.31Å; Q238-N467 HydrophobicContact CB-CB 4.47Å
239I90.6Very high86.7Confident1 Ų136 Ų361%0.00520%0.199CC..Hα-helixtrans-68.8-41.9179.5-65-58.1000111.6L122 L126 R235 R236 Q237 A241 I242 G244 W496L122-I239 HydrophobicContact CD2-CD1 4.36Å; L126-I239 HydrophobicContact CD1-CB 4.45Å; L126-I239 HydrophobicContact CD1-CG1 4.31Å; L126-I239 HydrophobicContact CD1-CG2 4.06Å; R235-I239 WeakPolarHBondContact O-CG1 3.5Å; R235-I239 PolarHBondContact O-N 2.99Å; R236-I239 PolarHBondContact O-N 2.98Å; Q237-I239 VanDerWaalsContact C-N 3.34Å; I239-A241 VanDerWaalsContact C-N 3.26Å; I239-A241 PolarHBondContact O-N 3.12Å; I239-I242 HydrophobicContact CD1-CD1 4.22Å; I239-I242 WeakPolarHBondContact O-CG1 3.25Å; I239-I242 PolarHBondContact O-N 3.27Å; I239-I242 VanDerWaalsContact O-N 3.15Å; I239-G244 WeakPolarHBondContact O-CA 3.31Å; I239-G244 PolarHBondContact O-N 3.22Å; I239-W496 HydrophobicContact CG2-CE3 4.47Å; I239-W496 HydrophobicContact CG2-CH2 3.48Å; I239-W496 VanDerWaalsContact CG2-CH2 3.48Å; I239-W496 HydrophobicContact CG2-CZ2 4.44Å; I239-W496 HydrophobicContact CG2-CZ3 3.5Å
240A89.4Confident86.5Confident28 Ų2836.3 Ų36.323%0.23120%0.202CC..Hα-helixtrans-62.2-34.417400000112R236 Q237 I242 G243 L247R236-A240 VanDerWaalsContact O-CB 3.27Å; R236-A240 WeakPolarHBondContact O-CB 3.43Å; R236-A240 PolarHBondContact O-N 3.13Å; Q237-A240 PolarHBondContact O-N 3.48Å; A240-I242 PolarHBondContact O-N 3.01Å; A240-G243 PolarHBondContact O-N 3.3Å; A240-G243 VanDerWaalsContact O-N 3.08Å; A240-L247 HydrophobicContact CB-CB 4.15Å
241A89.4Confident86.3Confident15 Ų1541.1 Ų41.112%0.12422%0.224CC..Hα-helixtrans-63.3-25.7177.200000112.9Q237 Q238 I239 P326 W460Q237-A241 WeakPolarHBondContact O-CB 3.32Å; Q237-A241 PolarHBondContact O-N 3.36Å; Q238-A241 WeakPolarHBondContact O-CB 3.38Å; Q238-A241 PolarHBondContact O-N 3.08Å; I239-A241 VanDerWaalsContact C-N 3.26Å; I239-A241 PolarHBondContact O-N 3.12Å; A241-P326 HydrophobicContact CB-CG 4.29Å; A241-P326 WeakPolarHBondContact O-CG 3.25Å; A241-W460 WeakPolarHBondContact O-CH2 3.32Å
242I90.6Very high86.2Confident0 Ų039.9 Ų39.90%022%0.218CC..THydrogen-bonded Turntrans-97.415.3176.163.1170.7000113.1I239 A240 V463 M464 N467 V493 W496 Q497I239-I242 HydrophobicContact CD1-CD1 4.22Å; I239-I242 WeakPolarHBondContact O-CG1 3.25Å; I239-I242 PolarHBondContact O-N 3.27Å; I239-I242 VanDerWaalsContact O-N 3.15Å; A240-I242 PolarHBondContact O-N 3.01Å; I242-V463 HydrophobicContact CG2-CG1 4.47Å; I242-M464 HydrophobicContact CB-CG 4.48Å; I242-M464 HydrophobicContact CG2-CG 4.39Å; I242-N467 HydrophobicContact CG2-CB 3.76Å; I242-V493 HydrophobicContact CD1-CG1 4.09Å; I242-V493 HydrophobicContact CD1-CG2 3.83Å; I242-W496 HydrophobicContact CD1-CZ3 4.37Å; I242-Q497 PolarHBondContact O-NE2 3.4Å
243G84.7Confident86.3Confident17 Ų1736.8 Ų36.818%0.17520%0.202CC..THydrogen-bonded Turntrans958.6177.200000115A240 W496 T500A240-G243 PolarHBondContact O-N 3.3Å; A240-G243 VanDerWaalsContact O-N 3.08Å; G243-W496 WeakPolarHBondContact O-CB 3.03Å; G243-T500 WeakPolarHBondContact CA-OG1 3.36Å; G243-T500 PolarHBondContact O-OG1 3.36Å
244G84.3Confident86.4Confident14 Ų1437.4 Ų37.414%0.14420%0.204CC..  trans-67.7-170.8173.200000113.9I239I239-G244 WeakPolarHBondContact O-CA 3.31Å; I239-G244 PolarHBondContact O-N 3.22Å
245P78.1Confident86.4Confident24 Ų2437 Ų3716%0.15621%0.21CC..SBendtrans-58.2153.1-172.9-21.932.1000113.4R13 E123 L247R13-P245 VanDerWaalsContact NH2-CG 3.31Å; E123-P245 HydrophobicContact CG-CG 4.06Å; P245-L247 PolarHBondContact O-N 2.8Å
246L74.5Confident86.5Confident144 Ų14435.2 Ų35.275%0.75420%0.203SC*.PPolyproline II helixtrans-54129.1179.8-174.570.3000111.5T248L246-T248 PolarHBondContact O-N 2.83Å
247L79.9Confident86.7Confident55 Ų5533.1 Ų33.129%0.28820%0.195SC..PPolyproline II helixtrans-71.7119.6178.7-174.865000110.9W233 R236 Q237 A240 P245W233-L247 HydrophobicContact CZ2-CD2 3.79Å; W233-L247 HydrophobicContact CZ2-CG 4.47Å; R236-L247 HydrophobicContact CB-CD1 3.96Å; Q237-L247 HydrophobicContact CB-CD1 4.15Å; Q237-L247 HydrophobicContact CB-CD2 3.97Å; Q237-L247 HydrophobicContact CG-CD2 3.88Å; A240-L247 HydrophobicContact CB-CB 4.15Å; P245-L247 PolarHBondContact O-N 2.8Å
248T77.6Confident86.7Confident88 Ų8833.1 Ų33.154%0.5420%0.196SC..  trans-128.4168.5177.8600000111.4L246L246-T248 PolarHBondContact O-N 2.83Å
249G79.6Confident86.8Confident17 Ų1734.8 Ų34.818%0.17521%0.205CC..  trans95.3-4.7171.300000116.6E251 Q252 L253G249-E251 VanDerWaalsContact C-N 3.28Å; G249-E251 PolarHBondContact O-N 2.92Å; G249-Q252 PolarHBondContact O-N 2.87Å; G249-L253 PolarHBondContact O-N 3.36Å
250L85.9Confident87Confident21 Ų2134.9 Ų34.911%0.1121%0.205CC..Hα-helixtrans-62.5-34.7179.9-171.159000113W233 Q254 E314 L342W233-L250 HydrophobicContact CD2-CD1 4.43Å; W233-L250 HydrophobicContact CH2-CD1 3.97Å; W233-L250 HydrophobicContact CZ2-CB 4.33Å; W233-L250 HydrophobicContact CZ2-CD1 3.53Å; W233-L250 HydrophobicContact CZ2-CD2 4.03Å; W233-L250 HydrophobicContact CZ2-CG 4.18Å; L250-Q254 WeakPolarHBondContact O-CB 3.37Å; L250-Q254 PolarHBondContact O-N 3.1Å; L250-E314 HydrophobicContact CD2-CB 4.4Å; L250-E314 HydrophobicContact CD2-CG 3.68Å; L250-E314 WeakPolarHBondContact CD2-OE1 3.47Å; L250-L342 HydrophobicContact CD1-CD2 3.43Å; L250-L342 VanDerWaalsContact CD1-CD2 3.43Å; L250-L342 HydrophobicContact CG-CD2 4.29Å
251E86.9Confident87.2Confident105 Ų10533.6 Ų33.649%0.49120%0.195SC..Hα-helixtrans-68.9-38.4176.7-60.5-167.6161.100112.6G249 Q254 S255 N388G249-E251 VanDerWaalsContact C-N 3.28Å; G249-E251 PolarHBondContact O-N 2.92Å; E251-Q254 PolarHBondContact O-N 3.11Å; E251-S255 PolarHBondContact O-N 2.86Å; E251-N388 PolarHBondContact OE2-ND2 3.16Å
252Q87.6Confident87.4Confident75 Ų7536.2 Ų36.235%0.3520%0.204SC..Hα-helixtrans-64.8-46.8175.2-67.3173.5-19.900110.4G249 Q254 S255 W256G249-Q252 PolarHBondContact O-N 2.87Å; Q252-Q254 VanDerWaalsContact C-N 3.33Å; Q252-Q254 PolarHBondContact O-N 3.05Å; Q252-S255 VanDerWaalsContact O-CB 3.31Å; Q252-S255 WeakPolarHBondContact O-CB 3.4Å; Q252-S255 PolarHBondContact O-N 3.43Å; Q252-S255 VanDerWaalsContact O-N 3.09Å; Q252-W256 HydrophobicContact CB-CH2 3.98Å; Q252-W256 HydrophobicContact CB-CZ2 4.08Å; Q252-W256 HydrophobicContact CB-CZ3 4.32Å; Q252-W256 PolarHBondContact O-N 2.88Å
253L91Very high87.6Confident1 Ų136.3 Ų36.31%0.00521%0.205CC..Hα-helixtrans-55.5-47.8172.1-78173.4000111.4E229 L230 W233 G249 S255 W256 F257 L342E229-L253 HydrophobicContact CB-CD2 4.48Å; E229-L253 HydrophobicContact CG-CD2 3.88Å; L230-L253 HydrophobicContact CD1-CD1 4.48Å; W233-L253 HydrophobicContact CB-CD1 3.61Å; W233-L253 HydrophobicContact CD2-CD1 4.03Å; W233-L253 HydrophobicContact CG-CD1 3.48Å; W233-L253 VanDerWaalsContact CG-CD1 3.48Å; G249-L253 PolarHBondContact O-N 3.36Å; L253-S255 VanDerWaalsContact C-N 3.27Å; L253-S255 PolarHBondContact O-N 2.79Å; L253-W256 HydrophobicContact CD2-CE3 3.93Å; L253-W256 HydrophobicContact CD2-CZ3 4Å; L253-W256 HydrophobicContact CG-CE3 4.48Å; L253-W256 HydrophobicContact CG-CZ3 4.38Å; L253-W256 PolarHBondContact O-N 3.47Å; L253-F257 HydrophobicContact CD2-CE2 4.21Å; L253-F257 WeakPolarHBondContact O-CB 3.32Å; L253-F257 VanDerWaalsContact O-CD2 3.27Å; L253-F257 WeakPolarHBondContact O-CD2 3.43Å; L253-F257 PolarHBondContact O-N 3.49Å; L253-L342 HydrophobicContact CB-CD1 4.39Å
254Q91.2Very high88Confident13 Ų1335.5 Ų35.56%0.06120%0.197CC..Hα-helixtrans-56.8-43.4176.6-172.9-178.1-67.800111.4L250 E251 Q252 T258 L342L250-Q254 WeakPolarHBondContact O-CB 3.37Å; L250-Q254 PolarHBondContact O-N 3.1Å; E251-Q254 PolarHBondContact O-N 3.11Å; Q252-Q254 VanDerWaalsContact C-N 3.33Å; Q252-Q254 PolarHBondContact O-N 3.05Å; Q254-T258 WeakPolarHBondContact O-CB 3.45Å; Q254-T258 PolarHBondContact O-N 3.27Å; Q254-T258 PolarHBondContact O-OG1 3.35Å; Q254-L342 WeakPolarHBondContact CA-O 3.43Å; Q254-L342 WeakPolarHBondContact CG-O 3.38Å; Q254-L342 VanDerWaalsContact O-O 3.1Å
255S90.8Very high88.4Confident54 Ų5435.3 Ų35.338%0.37819%0.192SC..Hα-helixtrans-59.1-52.5177.2-172.40000111.4E251 Q252 L253 F257 T258 L259E251-S255 PolarHBondContact O-N 2.86Å; Q252-S255 VanDerWaalsContact O-CB 3.31Å; Q252-S255 WeakPolarHBondContact O-CB 3.4Å; Q252-S255 PolarHBondContact O-N 3.43Å; Q252-S255 VanDerWaalsContact O-N 3.09Å; L253-S255 VanDerWaalsContact C-N 3.27Å; L253-S255 PolarHBondContact O-N 2.79Å; S255-F257 PolarHBondContact O-N 2.72Å; S255-T258 PolarHBondContact O-N 2.94Å; S255-L259 WeakPolarHBondContact O-CB 3.44Å; S255-L259 WeakPolarHBondContact O-CG 3.42Å; S255-L259 PolarHBondContact O-N 2.84Å
256W92.7Very high89.1Confident2 Ų236.6 Ų36.61%0.00820%0.196CC..Hα-helixtrans-63.3-45-179.1-58.6-34.6000113Q135 M138 D139 V142 L226 E229 Q252 L253 T258 T260Q135-W256 HydrophobicContact CB-CH2 4.28Å; Q135-W256 HydrophobicContact CB-CZ2 4.3Å; Q135-W256 HydrophobicContact CG-CH2 3.97Å; Q135-W256 HydrophobicContact CG-CZ2 4.47Å; M138-W256 HydrophobicContact CB-CZ2 4.13Å; M138-W256 HydrophobicContact CE-CE3 4.26Å; M138-W256 HydrophobicContact CE-CH2 4.45Å; M138-W256 HydrophobicContact CE-CZ3 4.09Å; M138-W256 HydrophobicContact CG-CD2 3.94Å; M138-W256 HydrophobicContact CG-CE3 4.32Å; M138-W256 HydrophobicContact CG-CG 4.23Å; M138-W256 HydrophobicContact CG-CZ2 4.44Å; M138-W256 HydrophobicContact SD-CB 4.47Å; M138-W256 HydrophobicContact SD-CD2 3.38Å; M138-W256 HydrophobicContact SD-CE3 3.17Å; M138-W256 HydrophobicContact SD-CG 3.98Å; M138-W256 HydrophobicContact SD-CH2 4.09Å; M138-W256 HydrophobicContact SD-CZ2 4.24Å; M138-W256 HydrophobicContact SD-CZ3 3.58Å; M138-W256 VanDerWaalsContact SD-CZ3 3.58Å; D139-W256 PolarHBondContact OD1-NE1 3.44Å; V142-W256 HydrophobicContact CG2-CB 4.37Å; V142-W256 HydrophobicContact CG2-CG 4.38Å; L226-W256 HydrophobicContact CD1-CB 3.94Å; E229-W256 HydrophobicContact CG-CZ3 3.92Å; Q252-W256 HydrophobicContact CB-CH2 3.98Å; Q252-W256 HydrophobicContact CB-CZ2 4.08Å; Q252-W256 HydrophobicContact CB-CZ3 4.32Å; Q252-W256 PolarHBondContact O-N 2.88Å; L253-W256 HydrophobicContact CD2-CE3 3.93Å; L253-W256 HydrophobicContact CD2-CZ3 4Å; L253-W256 HydrophobicContact CG-CE3 4.48Å; L253-W256 HydrophobicContact CG-CZ3 4.38Å; L253-W256 PolarHBondContact O-N 3.47Å; W256-T258 PolarHBondContact O-N 3.43Å; W256-T260 VanDerWaalsContact O-CB 3.26Å; W256-T260 WeakPolarHBondContact O-CB 3.42Å; W256-T260 PolarHBondContact O-N 3.06Å; W256-T260 PolarHBondContact O-OG1 3.49Å
257F93.8Very high90.1Very high1 Ų129.8 Ų29.80%0.00416%0.16CC..Hα-helixtrans-60.8-45.9176.2-90-96.8000111.1L226 L230 L253 S255 A261 L306 L342 V343L226-F257 HydrophobicContact CD1-CD2 3.64Å; L226-F257 HydrophobicContact CD1-CE2 3.46Å; L226-F257 VanDerWaalsContact CD1-CE2 3.46Å; L226-F257 HydrophobicContact CD1-CG 4.49Å; L226-F257 HydrophobicContact CD1-CZ 4.19Å; L226-F257 HydrophobicContact CD2-CD1 4.15Å; L226-F257 HydrophobicContact CD2-CD2 4.04Å; L226-F257 HydrophobicContact CD2-CE1 3.92Å; L226-F257 HydrophobicContact CD2-CE2 3.81Å; L226-F257 HydrophobicContact CD2-CG 4.21Å; L226-F257 HydrophobicContact CD2-CZ 3.73Å; L226-F257 HydrophobicContact CG-CD2 4.01Å; L226-F257 HydrophobicContact CG-CE1 4.38Å; L226-F257 HydrophobicContact CG-CE2 3.47Å; L226-F257 VanDerWaalsContact CG-CE2 3.47Å; L226-F257 HydrophobicContact CG-CZ 3.68Å; L230-F257 HydrophobicContact CB-CZ 4.48Å; L230-F257 HydrophobicContact CD2-CZ 3.96Å; L253-F257 HydrophobicContact CD2-CE2 4.21Å; L253-F257 WeakPolarHBondContact O-CB 3.32Å; L253-F257 VanDerWaalsContact O-CD2 3.27Å; L253-F257 WeakPolarHBondContact O-CD2 3.43Å; L253-F257 PolarHBondContact O-N 3.49Å; S255-F257 PolarHBondContact O-N 2.72Å; F257-A261 VanDerWaalsContact O-CB 3.26Å; F257-A261 WeakPolarHBondContact O-CB 3.3Å; F257-A261 PolarHBondContact O-N 3.16Å; F257-L306 HydrophobicContact CD1-CD1 3.56Å; F257-L306 HydrophobicContact CD1-CG 4.2Å; F257-L306 HydrophobicContact CE1-CD1 3.75Å; F257-L306 HydrophobicContact CG-CD1 4.41Å; F257-L342 HydrophobicContact CB-CB 3.91Å; F257-L342 HydrophobicContact CD1-CB 4.37Å; F257-L342 HydrophobicContact CD2-CB 4.29Å; F257-L342 HydrophobicContact CD2-CD1 4.01Å; F257-L342 HydrophobicContact CE2-CD1 4.04Å; F257-L342 HydrophobicContact CG-CB 3.94Å; F257-L342 HydrophobicContact CG-CD1 4.36Å; F257-L342 HydrophobicContact CZ-CD1 4.42Å; F257-V343 HydrophobicContact CB-CG2 4Å; F257-V343 HydrophobicContact CD1-CG2 4.31Å
258T92.3Very high90.8Very high14 Ų1428.3 Ų28.39%0.08615%0.152CC..Hα-helixtrans-64.8-47.8-179.8-62.50000111.9Q254 S255 W256 T260 A261 Q262 L342 K344Q254-T258 WeakPolarHBondContact O-CB 3.45Å; Q254-T258 PolarHBondContact O-N 3.27Å; Q254-T258 PolarHBondContact O-OG1 3.35Å; S255-T258 PolarHBondContact O-N 2.94Å; W256-T258 PolarHBondContact O-N 3.43Å; T258-T260 VanDerWaalsContact C-N 3.35Å; T258-T260 PolarHBondContact O-N 2.6Å; T258-A261 PolarHBondContact O-N 3.37Å; T258-Q262 HydrophobicContact CG2-CG 4.41Å; T258-Q262 WeakPolarHBondContact O-CB 3.24Å; T258-Q262 VanDerWaalsContact O-CG 3.27Å; T258-Q262 WeakPolarHBondContact O-CG 3.39Å; T258-Q262 PolarHBondContact O-N 3.18Å; T258-L342 PolarHBondContact OG1-O 3.04Å; T258-L342 VanDerWaalsContact OG1-O 3.09Å; T258-K344 HydrophobicContact CG2-CB 4.1Å; T258-K344 VanDerWaalsContact CG2-O 3.3Å; T258-K344 WeakPolarHBondContact CG2-O 3.24Å; T258-K344 PolarHBondContact OG1-N 2.82Å
259L92.8Very high91.5Very high41 Ų4130.3 Ų30.322%0.21515%0.149CC..Hα-helixtrans-65.7-38.4-179.3-68.7173.3000112.1V142 S255 S263V142-L259 HydrophobicContact CG1-CB 3.56Å; V142-L259 HydrophobicContact CG1-CD1 3.7Å; V142-L259 HydrophobicContact CG1-CG 4.29Å; S255-L259 WeakPolarHBondContact O-CB 3.44Å; S255-L259 WeakPolarHBondContact O-CG 3.42Å; S255-L259 PolarHBondContact O-N 2.84Å; L259-S263 WeakPolarHBondContact O-CB 3.45Å; L259-S263 PolarHBondContact O-N 2.92Å; L259-S263 PolarHBondContact O-OG 3.27Å
260T94.2Very high92.1Very high3 Ų329.7 Ų29.72%0.01814%0.142CC..Hα-helixtrans-67.2-43.1175.4-53.80000110.8I218 M222 W256 T258 S263 L264 L306I218-T260 HydrophobicContact CG2-CG2 3.88Å; M222-T260 HydrophobicContact CG-CG2 4.35Å; W256-T260 VanDerWaalsContact O-CB 3.26Å; W256-T260 WeakPolarHBondContact O-CB 3.42Å; W256-T260 PolarHBondContact O-N 3.06Å; W256-T260 PolarHBondContact O-OG1 3.49Å; T258-T260 VanDerWaalsContact C-N 3.35Å; T258-T260 PolarHBondContact O-N 2.6Å; T260-S263 WeakPolarHBondContact O-CB 3.33Å; T260-S263 PolarHBondContact O-N 3.34Å; T260-L264 WeakPolarHBondContact O-CG 3.5Å; T260-L264 PolarHBondContact O-N 2.93Å; T260-L306 HydrophobicContact CG2-CD2 4.01Å
261A93.4Very high92.5Very high1 Ų128.7 Ų28.71%0.00814%0.137CC..Hα-helixtrans-62.2-46.8176.200000111.6F257 T258 S263 L264 F265 L306 V343F257-A261 VanDerWaalsContact O-CB 3.26Å; F257-A261 WeakPolarHBondContact O-CB 3.3Å; F257-A261 PolarHBondContact O-N 3.16Å; T258-A261 PolarHBondContact O-N 3.37Å; A261-S263 VanDerWaalsContact C-N 3.28Å; A261-S263 PolarHBondContact O-N 2.92Å; A261-L264 PolarHBondContact O-N 3.2Å; A261-F265 WeakPolarHBondContact O-CD2 3.37Å; A261-F265 PolarHBondContact O-N 3.1Å; A261-L306 HydrophobicContact CB-CD2 3.68Å; A261-V343 HydrophobicContact CB-CB 4.46Å; A261-V343 HydrophobicContact CB-CG1 3.61Å; A261-V343 HydrophobicContact CB-CG2 3.96Å
262Q92.9Very high92.8Very high70 Ų7026 Ų2633%0.32713%0.126SC..Hα-helixtrans-56.8-43.5175.5-75175.3-1.900111.7T258 F265 Q266 L345T258-Q262 HydrophobicContact CG2-CG 4.41Å; T258-Q262 WeakPolarHBondContact O-CB 3.24Å; T258-Q262 VanDerWaalsContact O-CG 3.27Å; T258-Q262 WeakPolarHBondContact O-CG 3.39Å; T258-Q262 PolarHBondContact O-N 3.18Å; Q262-F265 PolarHBondContact O-N 3.32Å; Q262-Q266 WeakPolarHBondContact O-CB 3.47Å; Q262-Q266 PolarHBondContact O-N 3.5Å; Q262-L345 HydrophobicContact CG-CD2 4.32Å
263S94.6Very high93.1Very high3 Ų325.2 Ų25.22%0.02112%0.121CC..Hα-helixtrans-60.8-45.8177-61.50000111.7L259 T260 A261 Q266 I267L259-S263 WeakPolarHBondContact O-CB 3.45Å; L259-S263 PolarHBondContact O-N 2.92Å; L259-S263 PolarHBondContact O-OG 3.27Å; T260-S263 WeakPolarHBondContact O-CB 3.33Å; T260-S263 PolarHBondContact O-N 3.34Å; A261-S263 VanDerWaalsContact C-N 3.28Å; A261-S263 PolarHBondContact O-N 2.92Å; S263-Q266 PolarHBondContact O-N 3.41Å; S263-I267 WeakPolarHBondContact O-CG1 3.45Å; S263-I267 PolarHBondContact O-N 2.85Å
264L94.8Very high93.2Very high0 Ų025.3 Ų25.30%012%0.121CC..Hα-helixtrans-64.4-44.9177.1-75.2172000112.9I218 M222 T260 A261 Q266 I267 K268 V299 L302 I303 L306I218-L264 HydrophobicContact CD1-CD2 3.98Å; I218-L264 HydrophobicContact CD1-CG 4.38Å; I218-L264 HydrophobicContact CG2-CD1 4.19Å; I218-L264 HydrophobicContact CG2-CD2 3.77Å; I218-L264 HydrophobicContact CG2-CG 4.01Å; M222-L264 HydrophobicContact SD-CD1 4.31Å; T260-L264 WeakPolarHBondContact O-CG 3.5Å; T260-L264 PolarHBondContact O-N 2.93Å; A261-L264 PolarHBondContact O-N 3.2Å; L264-Q266 VanDerWaalsContact C-N 3.28Å; L264-Q266 PolarHBondContact O-N 3.18Å; L264-I267 PolarHBondContact O-N 3.13Å; L264-K268 PolarHBondContact O-N 3.01Å; L264-V299 HydrophobicContact CD2-CG1 4.48Å; L264-L302 HydrophobicContact CD1-CB 3.96Å; L264-L302 HydrophobicContact CD2-CB 3.99Å; L264-L302 HydrophobicContact CD2-CD1 4.04Å; L264-I303 HydrophobicContact CB-CD1 4.17Å; L264-I303 HydrophobicContact CB-CG1 3.65Å; L264-I303 HydrophobicContact CD1-CG1 4.01Å; L264-I303 HydrophobicContact CG-CG1 4.36Å; L264-L306 HydrophobicContact CD1-CD2 3.88Å
265F92.8Very high93.2Very high10 Ų1025.6 Ų25.64%0.04413%0.128CC..Hα-helixtrans-64.4-34.7176.2-80.6-67.5000111.9A261 Q262 K268 R269 I303 L345 F431 V433A261-F265 WeakPolarHBondContact O-CD2 3.37Å; A261-F265 PolarHBondContact O-N 3.1Å; Q262-F265 PolarHBondContact O-N 3.32Å; F265-K268 PolarHBondContact O-N 3.48Å; F265-R269 WeakPolarHBondContact O-CG 3.44Å; F265-R269 PolarHBondContact O-N 3.48Å; F265-I303 HydrophobicContact CD1-CD1 4.15Å; F265-I303 HydrophobicContact CE1-CD1 4.18Å; F265-I303 HydrophobicContact CE1-CG2 4.12Å; F265-I303 HydrophobicContact CE2-CG2 4.09Å; F265-I303 HydrophobicContact CZ-CG2 3.62Å; F265-L345 HydrophobicContact CD2-CD1 4.18Å; F265-L345 HydrophobicContact CE2-CD1 3.66Å; F265-L345 HydrophobicContact CZ-CD1 4.33Å; F265-F431 HydrophobicContact CZ-CE1 4.4Å; F265-F431 HydrophobicContact CZ-CZ 4.45Å; F265-V433 HydrophobicContact CE1-CG1 4.15Å; F265-V433 HydrophobicContact CZ-CG1 4.33Å
266Q92.9Very high93.3Very high51 Ų5128.5 Ų28.524%0.23814%0.136CC..Hα-helixtrans-67.6-43.9174.9-173.31715.500111.5V149 D153 Q262 S263 L264 K268 R269 Q270V149-Q266 HydrophobicContact CG1-CB 3.79Å; V149-Q266 HydrophobicContact CG1-CG 3.71Å; D153-Q266 VanDerWaalsContact CG-NE2 3.31Å; D153-Q266 PolarHBondContact OD1-NE2 3.02Å; D153-Q266 VanDerWaalsContact OD1-NE2 3.15Å; Q262-Q266 WeakPolarHBondContact O-CB 3.47Å; Q262-Q266 PolarHBondContact O-N 3.5Å; S263-Q266 PolarHBondContact O-N 3.41Å; L264-Q266 VanDerWaalsContact C-N 3.28Å; L264-Q266 PolarHBondContact O-N 3.18Å; Q266-K268 VanDerWaalsContact C-N 3.3Å; Q266-K268 PolarHBondContact O-N 3.07Å; Q266-R269 PolarHBondContact O-N 3.37Å; Q266-Q270 VanDerWaalsContact O-CG 3.3Å; Q266-Q270 WeakPolarHBondContact O-CG 3.31Å; Q266-Q270 PolarHBondContact O-N 3.29Å
267I94.6Very high93.3Very high0 Ų028.4 Ų28.40%014%0.135CC..Hα-helixtrans-58.6-42.8172.7-66.3167.2000110.7V149 M152 V214 I215 I218 S263 L264 R269 Q270 L271 V299V149-I267 HydrophobicContact CG1-CG1 4.13Å; V149-I267 HydrophobicContact CG2-CD1 4.04Å; V149-I267 HydrophobicContact CG2-CG1 4.12Å; M152-I267 HydrophobicContact CE-CD1 4.3Å; M152-I267 HydrophobicContact CE-CG1 4.02Å; V214-I267 HydrophobicContact CG1-CD1 3.96Å; I215-I267 HydrophobicContact CD1-CG2 4.16Å; I215-I267 HydrophobicContact CG1-CD1 4.29Å; I215-I267 HydrophobicContact CG1-CG2 4.23Å; I218-I267 HydrophobicContact CD1-CD1 3.63Å; S263-I267 WeakPolarHBondContact O-CG1 3.45Å; S263-I267 PolarHBondContact O-N 2.85Å; L264-I267 PolarHBondContact O-N 3.13Å; I267-R269 PolarHBondContact O-N 2.94Å; I267-Q270 WeakPolarHBondContact O-CB 3.42Å; I267-Q270 PolarHBondContact O-N 3.46Å; I267-L271 HydrophobicContact CG2-CD1 4.15Å; I267-L271 HydrophobicContact CG2-CG 4.4Å; I267-L271 WeakPolarHBondContact O-CG 3.48Å; I267-L271 PolarHBondContact O-N 2.93Å; I267-V299 HydrophobicContact CG2-CG2 3.88Å
268K93.6Very high93.2Very high25 Ų2529.7 Ų29.711%0.10914%0.143CC..Hα-helixtrans-57.2-49.2175.6-172.8-167.2172.8-63.70111.4L264 F265 Q266 Q270 L271 D272 V299L264-K268 PolarHBondContact O-N 3.01Å; F265-K268 PolarHBondContact O-N 3.48Å; Q266-K268 VanDerWaalsContact C-N 3.3Å; Q266-K268 PolarHBondContact O-N 3.07Å; K268-Q270 VanDerWaalsContact C-N 3.29Å; K268-Q270 PolarHBondContact O-N 3.06Å; K268-L271 PolarHBondContact O-N 3.16Å; K268-D272 IonicContact NZ-OD1 3.78Å; K268-D272 IonicContact NZ-OD2 2.75Å; K268-D272 PolarHBondContact NZ-OD2 3.16Å; K268-D272 VanDerWaalsContact O-CG 3.29Å; K268-D272 PolarHBondContact O-N 3.11Å; K268-V299 HydrophobicContact CB-CG1 4.09Å
269R92.6Very high93Very high130 Ų13035.3 Ų35.349%0.49118%0.177SC..Hα-helixtrans-60.1-39177.3-71.3176.4-177.4176.42.8112.1F265 Q266 I267 D272 K273 E347F265-R269 WeakPolarHBondContact O-CG 3.44Å; F265-R269 PolarHBondContact O-N 3.48Å; Q266-R269 PolarHBondContact O-N 3.37Å; I267-R269 PolarHBondContact O-N 2.94Å; R269-D272 PolarHBondContact O-N 3.33Å; R269-K273 WeakPolarHBondContact O-CB 3.28Å; R269-K273 PolarHBondContact O-N 3.17Å; R269-E347 IonicContact NH2-OE1 2.84Å
270Q93.8Very high92.7Very high3 Ų338.6 Ų38.61%0.01419%0.19CC..Hα-helixtrans-64.6-43.1175.9-70.4167.51.800111.8V149 D153 V156 M211 Q266 I267 K268 K273 L274V149-Q270 PolarHBondContact O-NE2 2.89Å; V149-Q270 VanDerWaalsContact O-NE2 3.09Å; D153-Q270 VanDerWaalsContact CB-NE2 3.29Å; D153-Q270 VanDerWaalsContact N-NE2 3.15Å; D153-Q270 PolarHBondContact OD1-NE2 3.39Å; V156-Q270 HydrophobicContact CG2-CB 4.25Å; V156-Q270 HydrophobicContact CG2-CG 4.42Å; M211-Q270 HydrophobicContact CE-CB 3.65Å; M211-Q270 HydrophobicContact CE-CG 4.46Å; Q266-Q270 VanDerWaalsContact O-CG 3.3Å; Q266-Q270 WeakPolarHBondContact O-CG 3.31Å; Q266-Q270 PolarHBondContact O-N 3.29Å; I267-Q270 WeakPolarHBondContact O-CB 3.42Å; I267-Q270 PolarHBondContact O-N 3.46Å; K268-Q270 VanDerWaalsContact C-N 3.29Å; K268-Q270 PolarHBondContact O-N 3.06Å; Q270-K273 PolarHBondContact O-N 2.85Å; Q270-L274 WeakPolarHBondContact O-CG 3.45Å; Q270-L274 PolarHBondContact O-N 3.17Å
271L93.9Very high92.3Very high1 Ų139.3 Ų39.31%0.00519%0.194CC..Hα-helixtrans-64-40.7174.2-70.4172.1000111.8M211 I267 K268 L274 G275 K292 M295 E296 V299M211-L271 HydrophobicContact SD-CD2 4.01Å; I267-L271 HydrophobicContact CG2-CD1 4.15Å; I267-L271 HydrophobicContact CG2-CG 4.4Å; I267-L271 WeakPolarHBondContact O-CG 3.48Å; I267-L271 PolarHBondContact O-N 2.93Å; K268-L271 PolarHBondContact O-N 3.16Å; L271-L274 PolarHBondContact O-N 3.45Å; L271-G275 PolarHBondContact O-N 3.05Å; L271-G275 VanDerWaalsContact O-N 3.08Å; L271-K292 HydrophobicContact CD2-CG 4.47Å; L271-K292 VanDerWaalsContact O-CE 3.26Å; L271-K292 WeakPolarHBondContact O-CE 3.44Å; L271-K292 PolarHBondContact O-NZ 2.95Å; L271-M295 HydrophobicContact CD1-CB 4.16Å; L271-M295 HydrophobicContact CD2-CB 4.33Å; L271-E296 HydrophobicContact CD1-CB 4.41Å; L271-V299 HydrophobicContact CD1-CG2 4.27Å
272D92.8Very high92.1Very high48 Ų4843.1 Ų43.126%0.25722%0.217SC..Hα-helixtrans-58.3-49.6174-68.8-26.7000110.2K268 R269 L274 G275 E276K268-D272 IonicContact NZ-OD1 3.78Å; K268-D272 IonicContact NZ-OD2 2.75Å; K268-D272 PolarHBondContact NZ-OD2 3.16Å; K268-D272 VanDerWaalsContact O-CG 3.29Å; K268-D272 PolarHBondContact O-N 3.11Å; R269-D272 PolarHBondContact O-N 3.33Å; D272-L274 PolarHBondContact O-N 3.05Å; D272-G275 WeakPolarHBondContact O-CA 3.49Å; D272-G275 PolarHBondContact O-N 3.44Å; D272-E276 PolarHBondContact O-N 2.73Å; D272-E276 VanDerWaalsContact O-N 3.09Å
273K93.4Very high91.9Very high58 Ų5842.1 Ų42.125%0.25221%0.211SC..Hα-helixtrans-60.2-43.2177.4-173.861.4177.5179.80113.2V156 E160 R269 Q270 G275 E276 L277V156-K273 HydrophobicContact CG1-CB 4.33Å; V156-K273 HydrophobicContact CG1-CG 3.96Å; E160-K273 WeakPolarHBondContact OE1-CE 3.2Å; E160-K273 IonicContact OE1-NZ 3.8Å; E160-K273 PolarHBondContact OE1-NZ 2.86Å; E160-K273 WeakPolarHBondContact OE2-CE 3.4Å; E160-K273 IonicContact OE2-NZ 2.72Å; E160-K273 PolarHBondContact OE2-NZ 2.9Å; R269-K273 WeakPolarHBondContact O-CB 3.28Å; R269-K273 PolarHBondContact O-N 3.17Å; Q270-K273 PolarHBondContact O-N 2.85Å; K273-G275 PolarHBondContact O-N 2.85Å; K273-E276 WeakPolarHBondContact CD-OE2 3.43Å; K273-E276 IonicContact NZ-OE2 3.42Å; K273-E276 WeakPolarHBondContact O-CB 3.21Å; K273-E276 PolarHBondContact O-N 2.9Å; K273-E276 VanDerWaalsContact O-N 3.14Å; K273-L277 WeakPolarHBondContact O-CG 3.37Å; K273-L277 PolarHBondContact O-N 3.45Å
274L93.3Very high91.6Very high3 Ų350.7 Ų50.72%0.01625%0.251CS..Hα-helixtrans-59.5-34.4173.4-73.4174000111.8V156 L208 M211 Q270 L271 D272 L277 V278 I288V156-L274 HydrophobicContact CG1-CD2 4.29Å; V156-L274 HydrophobicContact CG1-CG 4.43Å; V156-L274 HydrophobicContact CG2-CD1 4.48Å; V156-L274 HydrophobicContact CG2-CD2 4.29Å; V156-L274 HydrophobicContact CG2-CG 4.31Å; L208-L274 HydrophobicContact CD2-CD1 4.24Å; M211-L274 HydrophobicContact CE-CD1 3.89Å; M211-L274 HydrophobicContact SD-CD1 3.91Å; Q270-L274 WeakPolarHBondContact O-CG 3.45Å; Q270-L274 PolarHBondContact O-N 3.17Å; L271-L274 PolarHBondContact O-N 3.45Å; D272-L274 PolarHBondContact O-N 3.05Å; L274-L277 HydrophobicContact CD2-CD1 4.38Å; L274-L277 PolarHBondContact O-N 3.35Å; L274-V278 WeakPolarHBondContact O-CG2 3.33Å; L274-V278 PolarHBondContact O-N 3.34Å; L274-I288 HydrophobicContact CB-CD1 4.29Å; L274-I288 HydrophobicContact CB-CG2 4.14Å; L274-I288 HydrophobicContact CD2-CD1 4.03Å
275G92.1Very high91.2Very high19 Ų1955 Ų5520%0.19628%0.281CS..Hα-helixtrans-65.3-42.6173.200000113.3L271 D272 K273 L277 V278L271-G275 PolarHBondContact O-N 3.05Å; L271-G275 VanDerWaalsContact O-N 3.08Å; D272-G275 WeakPolarHBondContact O-CA 3.49Å; D272-G275 PolarHBondContact O-N 3.44Å; K273-G275 PolarHBondContact O-N 2.85Å; G275-L277 VanDerWaalsContact C-N 3.27Å; G275-L277 PolarHBondContact O-N 2.96Å; G275-V278 PolarHBondContact O-N 2.95Å
276E93.1Very high91.1Very high115 Ų11554.8 Ų54.854%0.53728%0.28SS..Hα-helixtrans-61-39.7174.1-63176.3178.500111.5D272 K273 V278 V279D272-E276 PolarHBondContact O-N 2.73Å; D272-E276 VanDerWaalsContact O-N 3.09Å; K273-E276 WeakPolarHBondContact CD-OE2 3.43Å; K273-E276 IonicContact NZ-OE2 3.42Å; K273-E276 WeakPolarHBondContact O-CB 3.21Å; K273-E276 PolarHBondContact O-N 2.9Å; K273-E276 VanDerWaalsContact O-N 3.14Å; E276-V278 VanDerWaalsContact C-N 3.31Å; E276-V278 PolarHBondContact O-N 2.91Å; E276-V279 WeakPolarHBondContact O-CB 3.18Å; E276-V279 PolarHBondContact O-N 3.06Å; E276-V279 VanDerWaalsContact O-N 3.16Å
277L91.4Very high91.1Very high1 Ų152.6 Ų52.61%0.00527%0.27CS..Hα-helixtrans-66.7-29.7179.4-73.2178.1000113.4I159 E160 Q163 K273 L274 G275 V279 K280 V281I159-L277 HydrophobicContact CG2-CD1 4.16Å; E160-L277 HydrophobicContact CB-CD1 4.16Å; E160-L277 HydrophobicContact CB-CD2 3.96Å; E160-L277 HydrophobicContact CG-CD2 3.94Å; Q163-L277 PolarHBondContact NE2-O 3.43Å; K273-L277 WeakPolarHBondContact O-CG 3.37Å; K273-L277 PolarHBondContact O-N 3.45Å; L274-L277 HydrophobicContact CD2-CD1 4.38Å; L274-L277 PolarHBondContact O-N 3.35Å; G275-L277 VanDerWaalsContact C-N 3.27Å; G275-L277 PolarHBondContact O-N 2.96Å; L277-V279 VanDerWaalsContact C-N 3.3Å; L277-K280 HydrophobicContact CD2-CD 4.34Å; L277-K280 PolarHBondContact O-N 2.97Å; L277-V281 PolarHBondContact O-N 3.42Å; L277-V281 VanDerWaalsContact O-N 3.16Å
278V91.3Very high91Very high27 Ų2752.7 Ų52.716%0.16427%0.271CS..Hα-helixtrans-65.1-35.2172.8168.90000111.4L274 G275 E276 K280 V281 I288 P289L274-V278 WeakPolarHBondContact O-CG2 3.33Å; L274-V278 PolarHBondContact O-N 3.34Å; G275-V278 PolarHBondContact O-N 2.95Å; E276-V278 VanDerWaalsContact C-N 3.31Å; E276-V278 PolarHBondContact O-N 2.91Å; V278-K280 PolarHBondContact O-N 3.31Å; V278-V281 CarbonylContact O-C 3.44Å; V278-V281 PolarHBondContact O-N 3.3Å; V278-I288 HydrophobicContact CG2-CB 3.6Å; V278-I288 HydrophobicContact CG2-CD1 3.86Å; V278-I288 HydrophobicContact CG2-CG1 4.34Å; V278-I288 HydrophobicContact CG2-CG2 3.46Å; V278-I288 VanDerWaalsContact CG2-CG2 3.46Å; V278-P289 HydrophobicContact CG1-CG 3.93Å; V278-P289 HydrophobicContact CG2-CG 4.36Å
279V89.6Confident90.9Very high132 Ų13254.5 Ų54.580%0.829%0.285SS*.Hα-helixtrans-63-33.3177.2-177.60000111.1E276 L277E276-V279 WeakPolarHBondContact O-CB 3.18Å; E276-V279 PolarHBondContact O-N 3.06Å; E276-V279 VanDerWaalsContact O-N 3.16Å; L277-V279 VanDerWaalsContact C-N 3.3Å
280K85.8Confident90.8Very high111 Ų11153.8 Ų53.848%0.48329%0.29SS..Hα-helixtrans-73.4-51.3176-67.9-176.8173.6-176.90112.4D164 L277 V278D164-K280 IonicContact OD1-NZ 3.5Å; D164-K280 PolarHBondContact OD1-NZ 3.23Å; D164-K280 IonicContact OD2-NZ 3.3Å; L277-K280 HydrophobicContact CD2-CD 4.34Å; L277-K280 PolarHBondContact O-N 2.97Å; V278-K280 PolarHBondContact O-N 3.31Å
281V85.8Confident90.8Very high18 Ų1857.5 Ų57.511%0.10931%0.308CS..SBendtrans-142.4122.5-176.7-176.80000109.6F166 L197 R204 L277 V278F166-V281 HydrophobicContact CD1-CG1 4.29Å; F166-V281 HydrophobicContact CD1-CG2 4.18Å; F166-V281 HydrophobicContact CE1-CG1 4.13Å; L197-V281 HydrophobicContact CD1-CG1 4.3Å; R204-V281 PolarHBondContact NH1-O 3.24Å; R204-V281 PolarHBondContact NH2-O 2.75Å; L277-V281 PolarHBondContact O-N 3.42Å; L277-V281 VanDerWaalsContact O-N 3.16Å; V278-V281 CarbonylContact O-C 3.44Å; V278-V281 PolarHBondContact O-N 3.3Å
282T90Very high90.7Very high81 Ų8159 Ų5950%0.49731%0.314SS..  trans-140.8165.5172.2-1640000110.4D286T282-D286 PolarHBondContact OG1-OD2 2.88Å
283Y88.6Confident90.7Very high49 Ų4960 Ų6019%0.19232%0.323CS..  trans-155.8170.3-174.248.3-92.7000110.5L197 L200 D201 S285 D286L197-Y283 HydrophobicContact CD1-CD1 3.84Å; L197-Y283 HydrophobicContact CD1-CE1 4.17Å; L197-Y283 HydrophobicContact CG-CD1 4.44Å; L200-Y283 HydrophobicContact CD2-CE1 3.82Å; D201-Y283 WeakPolarHBondContact CA-OH 3.3Å; D201-Y283 HydrophobicContact CB-CE2 4.16Å; D201-Y283 VanDerWaalsContact CB-OH 3.25Å; D201-Y283 WeakPolarHBondContact CB-OH 3.38Å; D201-Y283 VanDerWaalsContact OD1-CE2 3.28Å; D201-Y283 WeakPolarHBondContact OD1-CE2 3.44Å; D201-Y283 PolarHBondContact OD1-OH 3.44Å; Y283-S285 PolarHBondContact O-N 3.06Å; Y283-D286 HydrophobicContact CD2-CB 4.11Å; Y283-D286 HydrophobicContact CE2-CB 3.97Å; Y283-D286 HydrophobicContact CG-CB 4.44Å; Y283-D286 WeakPolarHBondContact O-CB 3.31Å; Y283-D286 PolarHBondContact O-N 3.47Å
284E87.3Confident90.7Very high183 Ų18364.1 Ų64.186%0.85534%0.343SS*.THydrogen-bonded Turntrans-61.9130178.1-169.4176-17600110.8D286E284-D286 VanDerWaalsContact C-N 3.31Å; E284-D286 PolarHBondContact O-N 2.66Å
285S87.9Confident90.8Very high91 Ų9164.5 Ų64.564%0.63635%0.345SS*.THydrogen-bonded Turntrans62.828.8-175.2-50.70000115.4Y283Y283-S285 PolarHBondContact O-N 3.06Å
286D90.7Very high90.8Very high4 Ų465.3 Ų65.32%0.02134%0.344CS..  trans-54.7124.5168.5-175.4-4000110.5R204 T282 Y283 E284 I288 P289 L290R204-D286 IonicContact CZ-OD2 2.84Å; R204-D286 IonicContact NH1-OD1 3.98Å; R204-D286 PolarHBondContact NH1-OD1 3.37Å; R204-D286 IonicContact NH1-OD2 3.02Å; R204-D286 PolarHBondContact NH1-OD2 2.95Å; T282-D286 PolarHBondContact OG1-OD2 2.88Å; Y283-D286 HydrophobicContact CD2-CB 4.11Å; Y283-D286 HydrophobicContact CE2-CB 3.97Å; Y283-D286 HydrophobicContact CG-CB 4.44Å; Y283-D286 WeakPolarHBondContact O-CB 3.31Å; Y283-D286 PolarHBondContact O-N 3.47Å; E284-D286 VanDerWaalsContact C-N 3.31Å; E284-D286 PolarHBondContact O-N 2.66Å; D286-I288 VanDerWaalsContact C-N 3.29Å; D286-I288 PolarHBondContact O-N 3.36Å; D286-I288 PolarHBondContact OD1-N 3.25Å; D286-P289 HydrophobicContact CB-CG 4.3Å; D286-P289 VanDerWaalsContact CG-CD 3.43Å; D286-P289 WeakPolarHBondContact O-CD 3.29Å; D286-L290 WeakPolarHBondContact O-CD1 3.43Å; D286-L290 WeakPolarHBondContact O-CG 3.37Å
287P91.8Very high90.9Very high5 Ų566.5 Ų66.53%0.03235%0.349CS..Hα-helixtrans-70.5-23.4-176.431.9-41.4000113.2R204 K205 L208 L290 Q291R204-P287 HydrophobicContact CB-CG 3.84Å; K205-P287 HydrophobicContact CG-CB 4.01Å; K205-P287 HydrophobicContact CG-CG 3.79Å; L208-P287 HydrophobicContact CD1-CB 3.67Å; L208-P287 HydrophobicContact CD1-CG 3.95Å; P287-L290 PolarHBondContact O-N 3.15Å; P287-Q291 PolarHBondContact O-N 3.45Å
288I92.2Very high91Very high2 Ų270.3 Ų70.31%0.0136%0.364CS..Hα-helixtrans-66.4-54.5-175.4-60.1171.2000111.1R204 L208 L274 V278 D286 L290 Q291 K292R204-I288 HydrophobicContact CB-CD1 4.46Å; R204-I288 HydrophobicContact CB-CG1 4.4Å; R204-I288 VanDerWaalsContact CD-CD1 3.46Å; R204-I288 HydrophobicContact CG-CD1 3.86Å; R204-I288 HydrophobicContact CG-CG1 4.32Å; L208-I288 HydrophobicContact CD1-CG1 3.99Å; L274-I288 HydrophobicContact CB-CD1 4.29Å; L274-I288 HydrophobicContact CB-CG2 4.14Å; L274-I288 HydrophobicContact CD2-CD1 4.03Å; V278-I288 HydrophobicContact CG2-CB 3.6Å; V278-I288 HydrophobicContact CG2-CD1 3.86Å; V278-I288 HydrophobicContact CG2-CG1 4.34Å; V278-I288 HydrophobicContact CG2-CG2 3.46Å; V278-I288 VanDerWaalsContact CG2-CG2 3.46Å; D286-I288 VanDerWaalsContact C-N 3.29Å; D286-I288 PolarHBondContact O-N 3.36Å; D286-I288 PolarHBondContact OD1-N 3.25Å; I288-L290 PolarHBondContact O-N 3.32Å; I288-Q291 PolarHBondContact O-N 2.92Å; I288-K292 HydrophobicContact CG2-CB 4.22Å; I288-K292 HydrophobicContact CG2-CD 4.41Å; I288-K292 WeakPolarHBondContact O-CB 3.04Å; I288-K292 PolarHBondContact O-N 3.08Å
289P92.7Very high91.2Very high64 Ų6469 Ų6942%0.41636%0.356SS..Hα-helixtrans-58.6-30.3177.1-2534.8000114V278 D286 P293V278-P289 HydrophobicContact CG1-CG 3.93Å; V278-P289 HydrophobicContact CG2-CG 4.36Å; D286-P289 HydrophobicContact CB-CG 4.3Å; D286-P289 VanDerWaalsContact CG-CD 3.43Å; D286-P289 WeakPolarHBondContact O-CD 3.29Å; P289-P293 WeakPolarHBondContact O-CD 3.42Å
290L90.3Very high91.4Very high115 Ų11566.5 Ų66.560%0.60233%0.334SS*.Hα-helixtrans-76.1-43.3-177.6-65.3172000112.7D286 P287 I288D286-L290 WeakPolarHBondContact O-CD1 3.43Å; D286-L290 WeakPolarHBondContact O-CG 3.37Å; P287-L290 PolarHBondContact O-N 3.15Å; I288-L290 PolarHBondContact O-N 3.32Å
291Q92.2Very high91.8Very high80 Ų8067.3 Ų67.337%0.37434%0.335SS..Hα-helixtrans-100.2-32.2-171.6-62.3-178.318.600113.5L208 P287 I288 P293 Q294 M295L208-Q291 HydrophobicContact CD1-CB 4.48Å; P287-Q291 PolarHBondContact O-N 3.45Å; I288-Q291 PolarHBondContact O-N 2.92Å; Q291-P293 VanDerWaalsContact C-CD 3.46Å; Q291-Q294 PolarHBondContact O-N 2.84Å; Q291-M295 HydrophobicContact CB-SD 4.34Å; Q291-M295 WeakPolarHBondContact O-CG 3.28Å; Q291-M295 PolarHBondContact O-N 3.41Å
292K92.8Very high92.2Very high32 Ų3266.5 Ų66.514%0.13933%0.33CS..Hα-helixtrans-51.5-47.5-175.9172.8-179167.9163.80113.5L271 I288 Q294 M295 E296L271-K292 HydrophobicContact CD2-CG 4.47Å; L271-K292 VanDerWaalsContact O-CE 3.26Å; L271-K292 WeakPolarHBondContact O-CE 3.44Å; L271-K292 PolarHBondContact O-NZ 2.95Å; I288-K292 HydrophobicContact CG2-CB 4.22Å; I288-K292 HydrophobicContact CG2-CD 4.41Å; I288-K292 WeakPolarHBondContact O-CB 3.04Å; I288-K292 PolarHBondContact O-N 3.08Å; K292-Q294 VanDerWaalsContact C-N 3.33Å; K292-Q294 PolarHBondContact O-N 3.04Å; K292-M295 PolarHBondContact O-N 3.19Å; K292-E296 WeakPolarHBondContact CE-OE2 3.39Å; K292-E296 WeakPolarHBondContact O-CB 3.47Å; K292-E296 PolarHBondContact O-N 2.84Å
293P93Very high92.4Very high69 Ų6962.8 Ų62.845%0.44831%0.307SS..Hα-helixtrans-58.6-43.4-174.3-25.435.3000113.1P289 Q291 E296 E297P289-P293 WeakPolarHBondContact O-CD 3.42Å; Q291-P293 VanDerWaalsContact C-CD 3.46Å; P293-E296 PolarHBondContact O-N 3.27Å; P293-E297 PolarHBondContact O-N 2.9Å
294Q93.9Very high92.6Very high145 Ų14564.1 Ų64.168%0.67831%0.313SS*.Hα-helixtrans-66.3-40.8179.6-64.3178.2-5.600111.7Q291 K292 R298Q291-Q294 PolarHBondContact O-N 2.84Å; K292-Q294 VanDerWaalsContact C-N 3.33Å; K292-Q294 PolarHBondContact O-N 3.04Å; Q294-R298 PolarHBondContact O-N 3.44Å; Q294-R298 VanDerWaalsContact O-N 3.13Å
295M94.1Very high92.9Very high11 Ų1158.3 Ų58.35%0.05429%0.285CS..Hα-helixtrans-67-40.4177.5-60.7177.778.700111.4L208 M211 D212 I215 L271 Q291 K292 R298 V299L208-M295 HydrophobicContact CD2-SD 3.98Å; M211-M295 HydrophobicContact CB-CE 3.36Å; D212-M295 HydrophobicContact CB-CE 3.99Å; D212-M295 VanDerWaalsContact N-CE 3.29Å; I215-M295 HydrophobicContact CD1-CB 4.14Å; I215-M295 HydrophobicContact CD1-CE 3.69Å; L271-M295 HydrophobicContact CD1-CB 4.16Å; L271-M295 HydrophobicContact CD2-CB 4.33Å; Q291-M295 HydrophobicContact CB-SD 4.34Å; Q291-M295 WeakPolarHBondContact O-CG 3.28Å; Q291-M295 PolarHBondContact O-N 3.41Å; K292-M295 PolarHBondContact O-N 3.19Å; M295-R298 PolarHBondContact O-N 3.36Å; M295-V299 VanDerWaalsContact O-CG2 3.3Å; M295-V299 WeakPolarHBondContact O-CG2 3.5Å; M295-V299 PolarHBondContact O-N 3.25Å
296E93.3Very high93.2Very high37 Ų3754 Ų5417%0.17326%0.255CS..Hα-helixtrans-65.8-42.2179.3-165.8-176.9148.600111.9L271 K292 P293 V299 K300L271-E296 HydrophobicContact CD1-CB 4.41Å; K292-E296 WeakPolarHBondContact CE-OE2 3.39Å; K292-E296 WeakPolarHBondContact O-CB 3.47Å; K292-E296 PolarHBondContact O-N 2.84Å; P293-E296 PolarHBondContact O-N 3.27Å; E296-V299 PolarHBondContact O-N 2.84Å; E296-K300 HydrophobicContact CG-CD 4.47Å; E296-K300 WeakPolarHBondContact O-CB 3.46Å; E296-K300 VanDerWaalsContact O-CG 3.31Å; E296-K300 WeakPolarHBondContact O-CG 3.4Å; E296-K300 PolarHBondContact O-N 2.69Å; E296-K300 WeakPolarHBondContact OE1-CE 3.38Å; E296-K300 IonicContact OE1-NZ 2.68Å; E296-K300 PolarHBondContact OE1-NZ 3.12Å
297E93.7Very high93.3Very high139 Ų13953.8 Ų53.865%0.6525%0.254SS*.Hα-helixtrans-60.6-44.9172.9-75.9-174.9167.900111.9P293 V299 K300 Y301P293-E297 PolarHBondContact O-N 2.9Å; E297-V299 PolarHBondContact O-N 3.38Å; E297-K300 PolarHBondContact O-N 2.72Å; E297-Y301 WeakPolarHBondContact O-CB 3.48Å; E297-Y301 PolarHBondContact O-N 2.99Å
298R94.9Very high93.4Very high82 Ų8257.9 Ų57.931%0.30927%0.271SS..Hα-helixtrans-63-43.4178.1-168.9169.2-176.1169.34.2111.9I215 D219 Q294 M295 Y301 L302I215-R298 HydrophobicContact CG2-CB 4.4Å; I215-R298 HydrophobicContact CG2-CG 3.81Å; D219-R298 IonicContact OD2-CZ 3.88Å; D219-R298 IonicContact OD2-NE 2.86Å; D219-R298 IonicContact OD2-NH2 2.79Å; D219-R298 PolarHBondContact OD2-NH2 3.46Å; Q294-R298 PolarHBondContact O-N 3.44Å; Q294-R298 VanDerWaalsContact O-N 3.13Å; M295-R298 PolarHBondContact O-N 3.36Å; R298-Y301 PolarHBondContact O-N 2.99Å; R298-L302 HydrophobicContact CG-CD1 4.43Å; R298-L302 VanDerWaalsContact O-CG 3.3Å; R298-L302 WeakPolarHBondContact O-CG 3.21Å; R298-L302 PolarHBondContact O-N 3.36Å
299V95.3Very high93.4Very high0 Ų059.8 Ų59.80%029%0.285CS..Hα-helixtrans-63.3-44.2176.3169.90000111.1I215 L264 I267 K268 L271 M295 E296 E297 Y301 L302 I303I215-V299 HydrophobicContact CD1-CG2 3.67Å; I215-V299 HydrophobicContact CG1-CG2 3.89Å; L264-V299 HydrophobicContact CD2-CG1 4.48Å; I267-V299 HydrophobicContact CG2-CG2 3.88Å; K268-V299 HydrophobicContact CB-CG1 4.09Å; L271-V299 HydrophobicContact CD1-CG2 4.27Å; M295-V299 VanDerWaalsContact O-CG2 3.3Å; M295-V299 WeakPolarHBondContact O-CG2 3.5Å; M295-V299 PolarHBondContact O-N 3.25Å; E296-V299 PolarHBondContact O-N 2.84Å; E297-V299 PolarHBondContact O-N 3.38Å; V299-Y301 VanDerWaalsContact C-N 3.33Å; V299-Y301 PolarHBondContact O-N 2.86Å; V299-L302 PolarHBondContact O-N 2.8Å; V299-I303 HydrophobicContact CG1-CD1 3.76Å; V299-I303 HydrophobicContact CG1-CG1 4.36Å; V299-I303 VanDerWaalsContact O-CG1 3.29Å; V299-I303 WeakPolarHBondContact O-CG1 3.35Å; V299-I303 PolarHBondContact O-N 3.25Å
300K93.3Very high93.4Very high79 Ų7956.8 Ų56.834%0.34327%0.265SS..Hα-helixtrans-59.7-43.2175.9-75.6171.9-176.2165.30111.9E296 E297 I303 Y304E296-K300 HydrophobicContact CG-CD 4.47Å; E296-K300 WeakPolarHBondContact O-CB 3.46Å; E296-K300 VanDerWaalsContact O-CG 3.31Å; E296-K300 WeakPolarHBondContact O-CG 3.4Å; E296-K300 PolarHBondContact O-N 2.69Å; E296-K300 WeakPolarHBondContact OE1-CE 3.38Å; E296-K300 IonicContact OE1-NZ 2.68Å; E296-K300 PolarHBondContact OE1-NZ 3.12Å; E297-K300 PolarHBondContact O-N 2.72Å; K300-I303 PolarHBondContact O-N 3.43Å; K300-Y304 WeakPolarHBondContact O-CB 3.45Å; K300-Y304 PolarHBondContact O-N 2.8Å
301Y94Very high93.6Very high127 Ų12751.5 Ų51.550%0.49824%0.237SC..Hα-helixtrans-60.6-46.9175.5174.4-93.2000112E297 R298 V299 Y304 H305E297-Y301 WeakPolarHBondContact O-CB 3.48Å; E297-Y301 PolarHBondContact O-N 2.99Å; R298-Y301 PolarHBondContact O-N 2.99Å; V299-Y301 VanDerWaalsContact C-N 3.33Å; V299-Y301 PolarHBondContact O-N 2.86Å; Y301-Y304 PolarHBondContact O-N 3.25Å; Y301-H305 AromaticContact CD2-CD2 3.63Å; Y301-H305 AromaticContact CD2-NE2 3.76Å; Y301-H305 AromaticContact CE1-CD2 3.68Å; Y301-H305 AromaticContact CE2-CD2 3.25Å; Y301-H305 WeakPolarHBondContact CE2-CD2 3.48Å; Y301-H305 AromaticContact CE2-NE2 3.03Å; Y301-H305 WeakPolarHBondContact CE2-NE2 3.23Å; Y301-H305 AromaticContact CZ-CD2 3.26Å; Y301-H305 AromaticContact CZ-NE2 3.28Å; Y301-H305 VanDerWaalsContact CZ-NE2 3.28Å; Y301-H305 PolarHBondContact O-CD2 3.42Å; Y301-H305 PolarHBondContact O-N 2.89Å; Y301-H305 PolarHBondContact OH-NE2 3.01Å
302L95.1Very high93.7Very high2 Ų247.7 Ų47.71%0.0122%0.22CC..Hα-helixtrans-62.6-44.5177.8-68.7173.4000111.7I215 I218 D219 M222 L264 R298 V299 Y304 H305 L306I215-L302 HydrophobicContact CG2-CD1 3.95Å; I218-L302 HydrophobicContact CG2-CD1 4.38Å; D219-L302 HydrophobicContact CB-CD1 4.24Å; D219-L302 HydrophobicContact CB-CD2 3.9Å; D219-L302 WeakPolarHBondContact OD1-CD2 3.45Å; M222-L302 HydrophobicContact CE-CD2 4.48Å; M222-L302 WeakPolarHBondContact CE-O 3.24Å; M222-L302 HydrophobicContact SD-CB 4.23Å; M222-L302 HydrophobicContact SD-CD2 3.98Å; L264-L302 HydrophobicContact CD1-CB 3.96Å; L264-L302 HydrophobicContact CD2-CB 3.99Å; L264-L302 HydrophobicContact CD2-CD1 4.04Å; R298-L302 HydrophobicContact CG-CD1 4.43Å; R298-L302 VanDerWaalsContact O-CG 3.3Å; R298-L302 WeakPolarHBondContact O-CG 3.21Å; R298-L302 PolarHBondContact O-N 3.36Å; V299-L302 PolarHBondContact O-N 2.8Å; L302-Y304 PolarHBondContact O-N 3.28Å; L302-H305 PolarHBondContact O-N 3.02Å; L302-L306 VanDerWaalsContact O-CB 3.26Å; L302-L306 WeakPolarHBondContact O-CB 3.35Å; L302-L306 PolarHBondContact O-N 3.29Å
303I94.2Very high93.8Very high3 Ų346.4 Ų46.42%0.01522%0.215CC..Hα-helixtrans-60.2-47.6175.7-65.2167.5000110.2L264 F265 V299 K300 H305 L306 I307 L436L264-I303 HydrophobicContact CB-CD1 4.17Å; L264-I303 HydrophobicContact CB-CG1 3.65Å; L264-I303 HydrophobicContact CD1-CG1 4.01Å; L264-I303 HydrophobicContact CG-CG1 4.36Å; F265-I303 HydrophobicContact CD1-CD1 4.15Å; F265-I303 HydrophobicContact CE1-CD1 4.18Å; F265-I303 HydrophobicContact CE1-CG2 4.12Å; F265-I303 HydrophobicContact CE2-CG2 4.09Å; F265-I303 HydrophobicContact CZ-CG2 3.62Å; V299-I303 HydrophobicContact CG1-CD1 3.76Å; V299-I303 HydrophobicContact CG1-CG1 4.36Å; V299-I303 VanDerWaalsContact O-CG1 3.29Å; V299-I303 WeakPolarHBondContact O-CG1 3.35Å; V299-I303 PolarHBondContact O-N 3.25Å; K300-I303 PolarHBondContact O-N 3.43Å; I303-H305 PolarHBondContact O-N 2.59Å; I303-L306 PolarHBondContact O-N 3.21Å; I303-I307 HydrophobicContact CG2-CG1 3.95Å; I303-I307 WeakPolarHBondContact O-CB 3.36Å; I303-I307 WeakPolarHBondContact O-CG1 3.35Å; I303-I307 PolarHBondContact O-N 2.89Å; I303-L436 HydrophobicContact CB-CD2 4.1Å; I303-L436 HydrophobicContact CG2-CD2 3.41Å; I303-L436 VanDerWaalsContact CG2-CD2 3.41Å
304Y92.9Very high93.8Very high77 Ų7744.7 Ų44.730%0.30220%0.2SC..Hα-helixtrans-55-50.5178.8176.2-89.3000111.7K300 Y301 L302 K308 V438K300-Y304 WeakPolarHBondContact O-CB 3.45Å; K300-Y304 PolarHBondContact O-N 2.8Å; Y301-Y304 PolarHBondContact O-N 3.25Å; L302-Y304 PolarHBondContact O-N 3.28Å; Y304-K308 HydrophobicContact CE1-CD 3.96Å; Y304-K308 WeakPolarHBondContact O-CB 3.38Å; Y304-K308 PolarHBondContact O-N 3.29Å; Y304-K308 PolarHBondContact OH-NZ 3.26Å; Y304-V438 HydrophobicContact CD2-CB 4.32Å; Y304-V438 HydrophobicContact CD2-CG1 3.77Å; Y304-V438 HydrophobicContact CD2-CG2 3.93Å; Y304-V438 HydrophobicContact CE2-CG1 3.8Å
305H92.9Very high93.7Very high61 Ų6143.4 Ų43.428%0.28219%0.193SC..Hα-helixtrans-69.5-36.5-179.6-82.6-77.3000113.5M222 Y301 L302 I303 S309M222-H305 HydrophobicContact CE-CB 4.38Å; Y301-H305 AromaticContact CD2-CD2 3.63Å; Y301-H305 AromaticContact CD2-NE2 3.76Å; Y301-H305 AromaticContact CE1-CD2 3.68Å; Y301-H305 AromaticContact CE2-CD2 3.25Å; Y301-H305 WeakPolarHBondContact CE2-CD2 3.48Å; Y301-H305 AromaticContact CE2-NE2 3.03Å; Y301-H305 WeakPolarHBondContact CE2-NE2 3.23Å; Y301-H305 AromaticContact CZ-CD2 3.26Å; Y301-H305 AromaticContact CZ-NE2 3.28Å; Y301-H305 VanDerWaalsContact CZ-NE2 3.28Å; Y301-H305 PolarHBondContact O-CD2 3.42Å; Y301-H305 PolarHBondContact O-N 2.89Å; Y301-H305 PolarHBondContact OH-NE2 3.01Å; L302-H305 PolarHBondContact O-N 3.02Å; I303-H305 PolarHBondContact O-N 2.59Å; H305-S309 WeakPolarHBondContact O-CB 3.49Å; H305-S309 PolarHBondContact O-N 3.36Å; H305-S309 PolarHBondContact O-OG 3.34Å
306L94.6Very high93.7Very high0 Ų043.8 Ų43.80%019%0.194CC..Hα-helixtrans-65.1-49.2177.3-173.566.6000111M222 L226 F257 T260 A261 L264 L302 I303 S309 S310M222-L306 HydrophobicContact CE-CB 3.6Å; M222-L306 HydrophobicContact CE-CD1 3.98Å; M222-L306 HydrophobicContact CE-CG 4.36Å; M222-L306 HydrophobicContact CG-CD1 4.4Å; M222-L306 HydrophobicContact SD-CB 4.21Å; M222-L306 HydrophobicContact SD-CD1 4.23Å; L226-L306 HydrophobicContact CD2-CD1 3.47Å; L226-L306 VanDerWaalsContact CD2-CD1 3.47Å; F257-L306 HydrophobicContact CD1-CD1 3.56Å; F257-L306 HydrophobicContact CD1-CG 4.2Å; F257-L306 HydrophobicContact CE1-CD1 3.75Å; F257-L306 HydrophobicContact CG-CD1 4.41Å; T260-L306 HydrophobicContact CG2-CD2 4.01Å; A261-L306 HydrophobicContact CB-CD2 3.68Å; L264-L306 HydrophobicContact CD1-CD2 3.88Å; L302-L306 VanDerWaalsContact O-CB 3.26Å; L302-L306 WeakPolarHBondContact O-CB 3.35Å; L302-L306 PolarHBondContact O-N 3.29Å; I303-L306 PolarHBondContact O-N 3.21Å; L306-S309 PolarHBondContact O-N 3.12Å; L306-S309 PolarHBondContact O-OG 3.26Å; L306-S310 WeakPolarHBondContact O-CB 3.27Å; L306-S310 PolarHBondContact O-N 3.03Å
307I93.1Very high93.7Very high0 Ų042 Ų420%019%0.186CC..Hα-helixtrans-63.5-44.9179.6-65.2-67.6000110.3I303 S309 S310 V343 F431 V438 L440I303-I307 HydrophobicContact CG2-CG1 3.95Å; I303-I307 WeakPolarHBondContact O-CB 3.36Å; I303-I307 WeakPolarHBondContact O-CG1 3.35Å; I303-I307 PolarHBondContact O-N 2.89Å; I307-S309 PolarHBondContact O-N 3.05Å; I307-S310 PolarHBondContact O-N 3.12Å; I307-S310 PolarHBondContact O-OG 3.47Å; I307-V343 HydrophobicContact CD1-CB 4Å; I307-V343 HydrophobicContact CD1-CG1 3.74Å; I307-V343 HydrophobicContact CD1-CG2 4.04Å; I307-F431 HydrophobicContact CD1-CE1 4.26Å; I307-F431 HydrophobicContact CD1-CE2 4.23Å; I307-F431 HydrophobicContact CD1-CZ 3.89Å; I307-F431 HydrophobicContact CG1-CE1 4.31Å; I307-F431 HydrophobicContact CG1-CZ 4.43Å; I307-F431 HydrophobicContact CG2-CB 4.28Å; I307-F431 HydrophobicContact CG2-CD1 3.89Å; I307-F431 HydrophobicContact CG2-CD2 4.13Å; I307-F431 HydrophobicContact CG2-CE1 4.22Å; I307-F431 HydrophobicContact CG2-CE2 4.43Å; I307-F431 HydrophobicContact CG2-CG 3.85Å; I307-F431 HydrophobicContact CG2-CZ 4.48Å; I307-V438 HydrophobicContact CG2-CB 4.38Å; I307-V438 HydrophobicContact CG2-CG1 4.23Å; I307-L440 HydrophobicContact CG2-CD2 3.84Å
308K92.4Very high93.8Very high91 Ų9136.6 Ų36.640%0.39616%0.163SC..Hα-helixtrans-60.4-42.2177-171.3173.5-173.2170.20113.2Y304 S310Y304-K308 HydrophobicContact CE1-CD 3.96Å; Y304-K308 WeakPolarHBondContact O-CB 3.38Å; Y304-K308 PolarHBondContact O-N 3.29Å; Y304-K308 PolarHBondContact OH-NZ 3.26Å; K308-S310 VanDerWaalsContact C-N 3.33Å
309S92.8Very high93.7Very high42 Ų4232.8 Ų32.829%0.29415%0.149SC..Hα-helixtrans-74.4-22.5178.853.80000113.6L230 H305 L306 I307 F311L230-S309 VanDerWaalsContact CD2-O 3.3Å; L230-S309 WeakPolarHBondContact CD2-O 3.24Å; H305-S309 WeakPolarHBondContact O-CB 3.49Å; H305-S309 PolarHBondContact O-N 3.36Å; H305-S309 PolarHBondContact O-OG 3.34Å; L306-S309 PolarHBondContact O-N 3.12Å; L306-S309 PolarHBondContact O-OG 3.26Å; I307-S309 PolarHBondContact O-N 3.05Å; S309-F311 VanDerWaalsContact C-N 3.27Å; S309-F311 PolarHBondContact O-N 2.83Å
310S93.5Very high93.4Very high0 Ų036.8 Ų36.80%018%0.175CC..THydrogen-bonded Turntrans-73.5-12.6179.476.90000114.8L306 I307 K308 V312 L341 L342L306-S310 WeakPolarHBondContact O-CB 3.27Å; L306-S310 PolarHBondContact O-N 3.03Å; I307-S310 PolarHBondContact O-N 3.12Å; I307-S310 PolarHBondContact O-OG 3.47Å; K308-S310 VanDerWaalsContact C-N 3.33Å; S310-V312 PolarHBondContact O-N 2.95Å; S310-L341 WeakPolarHBondContact OG-CD1 3.43Å; S310-L342 WeakPolarHBondContact O-CG 3.47Å; S310-L342 PolarHBondContact O-N 3.08Å
311F94.4Very high93.2Very high4 Ų437.4 Ų37.42%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-87.7104.7-178.2-170.3-126.3000111.2S309 V339 L341 V354 M381 F427 A429 L440 T442S309-F311 VanDerWaalsContact C-N 3.27Å; S309-F311 PolarHBondContact O-N 2.83Å; F311-V339 HydrophobicContact CD2-CG1 3.89Å; F311-V339 HydrophobicContact CE1-CG1 4.33Å; F311-V339 HydrophobicContact CE2-CG1 3.29Å; F311-V339 HydrophobicContact CZ-CG1 3.55Å; F311-L341 HydrophobicContact CB-CD1 4.05Å; F311-L341 HydrophobicContact CD2-CD1 4.14Å; F311-V354 HydrophobicContact CE2-CG2 4.43Å; F311-V354 HydrophobicContact CZ-CG1 4.04Å; F311-V354 HydrophobicContact CZ-CG2 4.4Å; F311-M381 HydrophobicContact CD2-CE 4.45Å; F311-M381 HydrophobicContact CE2-CE 4.04Å; F311-F427 HydrophobicContact CE1-CB 4.01Å; F311-F427 HydrophobicContact CZ-CB 4.05Å; F311-A429 HydrophobicContact CZ-CB 4.33Å; F311-L440 HydrophobicContact CB-CB 4.39Å; F311-L440 HydrophobicContact CB-CD1 4.39Å; F311-L440 HydrophobicContact CB-CD2 4.15Å; F311-L440 HydrophobicContact CD1-CB 3.8Å; F311-L440 HydrophobicContact CD2-CD1 4.31Å; F311-L440 HydrophobicContact CE1-CB 4.19Å; F311-L440 HydrophobicContact CG-CB 4.08Å; F311-L440 HydrophobicContact CG-CD1 4.28Å; F311-T442 HydrophobicContact CD1-CG2 3.49Å; F311-T442 VanDerWaalsContact CD1-CG2 3.49Å; F311-T442 HydrophobicContact CE1-CG2 3.51Å; F311-T442 HydrophobicContact CG-CG2 4.2Å; F311-T442 HydrophobicContact CZ-CG2 4.22Å; F311-T442 VanDerWaalsContact O-CB 3.32Å; F311-T442 WeakPolarHBondContact O-CB 3.23Å; F311-T442 PolarHBondContact O-OG1 3.25Å
312V94.4Very high92.8Very high1 Ų134.4 Ų34.41%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-131.8150.9-169.8-61.70000112.7L230 W233 S310 E314 V339 R340 L342L230-V312 HydrophobicContact CD1-CG1 4.15Å; W233-V312 HydrophobicContact CZ3-CB 4.44Å; W233-V312 HydrophobicContact CZ3-CG2 4.46Å; S310-V312 PolarHBondContact O-N 2.95Å; V312-E314 PolarHBondContact O-N 3.44Å; V312-V339 WeakPolarHBondContact O-CA 3.33Å; V312-V339 VanDerWaalsContact O-CG1 3.31Å; V312-V339 WeakPolarHBondContact O-CG1 3.34Å; V312-R340 PolarHBondContact N-O 2.93Å; V312-R340 PolarHBondContact O-N 2.9Å; V312-L342 HydrophobicContact CG1-CD1 4.38Å; V312-L342 HydrophobicContact CG2-CD1 4.29Å; V312-L342 HydrophobicContact CG2-CD2 4.06Å; V312-L342 HydrophobicContact CG2-CG 4.01Å
313V94.1Very high92.4Very high5 Ų538.7 Ų38.73%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-79.4113.5169.5-176.80000108Q237 K315 F427 T442Q237-V313 PolarHBondContact NE2-O 3.42Å; Q237-V313 PolarHBondContact OE1-O 3.44Å; V313-K315 WeakPolarHBondContact CG1-O 3.39Å; V313-F427 HydrophobicContact CG2-CD2 3.99Å; V313-F427 HydrophobicContact CG2-CE2 3.7Å; V313-T442 HydrophobicContact CG2-CG2 4.02Å
314E92.3Very high92Very high32 Ų3241.1 Ų41.115%0.1522%0.215CC..EExtended strand (participates in β ladder)trans-81.4-46.8179.4175.1174.7-148.600111.3Q237 L250 V312 K338 R340Q237-E314 PolarHBondContact NE2-O 3.29Å; L250-E314 HydrophobicContact CD2-CB 4.4Å; L250-E314 HydrophobicContact CD2-CG 3.68Å; L250-E314 WeakPolarHBondContact CD2-OE1 3.47Å; V312-E314 PolarHBondContact O-N 3.44Å; E314-K338 PolarHBondContact N-O 2.95Å; E314-K338 WeakPolarHBondContact OE2-CD 3.42Å; E314-K338 WeakPolarHBondContact OE2-CE 3.07Å; E314-K338 IonicContact OE2-NZ 2.82Å; E314-K338 PolarHBondContact OE2-NZ 3.4Å; E314-R340 HydrophobicContact CB-CB 3.99Å; E314-R340 IonicContact OE1-CZ 2.67Å; E314-R340 IonicContact OE1-NH1 3.56Å; E314-R340 PolarHBondContact OE1-NH1 3.34Å
315K91.9Very high91.8Very high118 Ų11838 Ų3851%0.51320%0.203SC..EExtended strand (participates in β ladder)trans-117.1114.4174-62.7-174.6178.4178.70109.8V313 T337 K338V313-K315 WeakPolarHBondContact CG1-O 3.39Å; K315-T337 WeakPolarHBondContact O-CA 3.4Å; K315-T337 PolarHBondContact O-OG1 3.13Å; K315-K338 HydrophobicContact CB-CB 3.75Å; K315-K338 HydrophobicContact CD-CB 4.24Å; K315-K338 HydrophobicContact CD-CD 4.49Å; K315-K338 HydrophobicContact CG-CB 3.98Å; K315-K338 PolarHBondContact N-O 2.5Å; K315-K338 PolarHBondContact O-N 3.22Å
316Q94.4Very high91.8Very high20 Ų2036 Ų369%0.09320%0.196CC..EExtended strand (participates in β ladder)trans-60.9152.3176.7-66.1-63.1-20.200111.3C318 L327 L445Q316-C318 PolarHBondContact O-N 2.97Å; Q316-L327 HydrophobicContact CB-CD2 3.86Å; Q316-L327 HydrophobicContact CB-CG 4.44Å; Q316-L327 HydrophobicContact CG-CD2 4.37Å; Q316-L445 HydrophobicContact CG-CD1 4.04Å
317P94.8Very high91.8Very high0 Ų036 Ų360%020%0.196CC..EExtended strand (participates in β ladder)trans-52122179.2-28.635.8000112.6L327 I329 F335 T336 L425 L447P317-L327 PolarHBondContact O-N 3.11Å; P317-I329 HydrophobicContact CB-CD1 4.03Å; P317-F335 HydrophobicContact CB-CD2 4.09Å; P317-F335 HydrophobicContact CB-CE2 4.27Å; P317-T336 WeakPolarHBondContact CA-O 3.49Å; P317-L425 HydrophobicContact CG-CD2 4.07Å; P317-L447 HydrophobicContact CB-CD2 4.1Å; P317-L447 HydrophobicContact CG-CD2 3.99Å
318C94.4Very high91.9Very high24 Ų2436 Ų3616%0.16220%0.196CC..EExtended strand (participates in β ladder)trans-143.3140.8-176.7-174.60000111.2Q316 P326 F335 T336Q316-C318 PolarHBondContact O-N 2.97Å; C318-P326 HydrophobicContact CB-CB 4.33Å; C318-F335 WeakPolarHBondContact O-CA 3.47Å; C318-F335 WeakPolarHBondContact O-CB 3.48Å; C318-T336 PolarHBondContact N-O 2.9Å; C318-T336 PolarHBondContact O-N 3.26Å; C318-T336 PolarHBondContact O-OG1 2.85Å
319M93.2Very high92Very high2 Ų231.7 Ų31.71%0.0118%0.177CC..  trans-85.2125.7173.5-64.5-173-67.300109.9T321 H322 I328 I329 K330 V333 F335 L456M319-T321 PolarHBondContact O-N 3.43Å; M319-H322 HydrophobicContact CE-CB 4.41Å; M319-H322 CarbonylContact O-C 3.5Å; M319-H322 VanDerWaalsContact O-C 3.24Å; M319-H322 PolarHBondContact O-N 2.65Å; M319-I328 WeakPolarHBondContact CE-O 3.42Å; M319-I329 HydrophobicContact CG-CD1 4.28Å; M319-K330 HydrophobicContact CE-CB 4.33Å; M319-K330 HydrophobicContact SD-CB 3.72Å; M319-K330 PolarHBondContact SD-N 3.39Å; M319-V333 HydrophobicContact CG-CG1 4.38Å; M319-V333 HydrophobicContact SD-CB 4.15Å; M319-V333 HydrophobicContact SD-CG1 3.87Å; M319-F335 HydrophobicContact CG-CB 4.21Å; M319-L456 HydrophobicContact CE-CD1 4.44Å
320P89.6Confident92.1Very high84 Ų8432.5 Ų32.555%0.54518%0.175SC..THydrogen-bonded Turntrans-57.6-24.8177-27.235.5000114.3H322 Q334 T336P320-H322 VanDerWaalsContact C-N 3.29Å; P320-H322 PolarHBondContact O-N 3.12Å; P320-Q334 WeakPolarHBondContact CD-O 3.42Å; P320-T336 HydrophobicContact CG-CG2 4.04Å
321T88.1Confident92Very high92 Ų9234.1 Ų34.156%0.56419%0.185SC*.THydrogen-bonded Turntrans-72.9-20.1175.958.30000113.4M319M319-T321 PolarHBondContact O-N 3.43Å
322H86.8Confident91.7Very high65 Ų6536.2 Ų36.230%0.30121%0.208SC..  trans-138.865.6-177.6-62.6-65.1000111.2M319 P320 Q324 K325M319-H322 HydrophobicContact CE-CB 4.41Å; M319-H322 CarbonylContact O-C 3.5Å; M319-H322 VanDerWaalsContact O-C 3.24Å; M319-H322 PolarHBondContact O-N 2.65Å; P320-H322 VanDerWaalsContact C-N 3.29Å; P320-H322 PolarHBondContact O-N 3.12Å; H322-Q324 PolarHBondContact O-N 3.1Å; H322-Q324 VanDerWaalsContact O-N 3.16Å; H322-K325 PolarHBondContact O-N 2.97Å; H322-K325 VanDerWaalsContact O-N 3.15Å
323P86.6Confident91.6Very high92 Ų9237.8 Ų37.860%0.59722%0.217SC*.THydrogen-bonded Turntrans-63.5-25.1-174.325.9-34.8000113.6K325P323-K325 VanDerWaalsContact C-N 3.3Å; P323-K325 PolarHBondContact O-N 3.46Å
324Q84.4Confident91.5Very high54 Ų5441.6 Ų41.625%0.25224%0.235SC..THydrogen-bonded Turntrans-78.2-10.1-179.3-63173.8-35.600113.9H322 T500 F501H322-Q324 PolarHBondContact O-N 3.1Å; H322-Q324 VanDerWaalsContact O-N 3.16Å; Q324-T500 PolarHBondContact NE2-O 3.43Å; Q324-F501 HydrophobicContact CB-CD1 4.14Å; Q324-F501 HydrophobicContact CB-CE1 3.46Å; Q324-F501 VanDerWaalsContact CB-CE1 3.46Å; Q324-F501 HydrophobicContact CB-CE2 4Å; Q324-F501 HydrophobicContact CB-CZ 3.39Å; Q324-F501 HydrophobicContact CG-CD1 4.46Å; Q324-F501 HydrophobicContact CG-CE1 4.23Å; Q324-F501 HydrophobicContact CG-CZ 4.46Å; Q324-F501 WeakPolarHBondContact O-CZ 3.41Å
325K90.3Very high91.6Very high12 Ų1240.1 Ų40.15%0.05223%0.228CC..SBendtrans-125.571.7-179.6-65.4-170.8170.2-175.30110.6H322 P323 I328 L456 W460 F501 D552H322-K325 PolarHBondContact O-N 2.97Å; H322-K325 VanDerWaalsContact O-N 3.15Å; P323-K325 VanDerWaalsContact C-N 3.3Å; P323-K325 PolarHBondContact O-N 3.46Å; K325-I328 HydrophobicContact CB-CD1 4.14Å; K325-I328 HydrophobicContact CD-CD1 4.49Å; K325-L456 HydrophobicContact CD-CD1 4.3Å; K325-L456 HydrophobicContact CD-CD2 3.93Å; K325-L456 HydrophobicContact CD-CG 3.83Å; K325-W460 HydrophobicContact CB-CD2 4.21Å; K325-W460 HydrophobicContact CB-CE3 3.85Å; K325-W460 HydrophobicContact CB-CZ3 4.16Å; K325-W460 HydrophobicContact CD-CB 4.03Å; K325-W460 HydrophobicContact CD-CD2 4.14Å; K325-W460 HydrophobicContact CD-CG 3.89Å; K325-W460 HydrophobicContact CG-CD2 3.85Å; K325-W460 HydrophobicContact CG-CE3 4.03Å; K325-W460 HydrophobicContact CG-CG 4.15Å; K325-F501 HydrophobicContact CD-CZ 4.31Å; K325-F501 HydrophobicContact CG-CE1 4.28Å; K325-F501 HydrophobicContact CG-CZ 3.68Å; K325-D552 IonicContact NZ-OD1 2.66Å; K325-D552 PolarHBondContact NZ-OD1 3.3Å; K325-D552 IonicContact NZ-OD2 3.72Å
326P92.2Very high91.7Very high19 Ų1936.3 Ų36.312%0.12321%0.214CC..THydrogen-bonded Turntrans-63.4167174.330.3-37.2000111.5A241 C318 I328 W460A241-P326 HydrophobicContact CB-CG 4.29Å; A241-P326 WeakPolarHBondContact O-CG 3.25Å; C318-P326 HydrophobicContact CB-CB 4.33Å; P326-I328 PolarHBondContact O-N 3.4Å; P326-I328 VanDerWaalsContact O-N 3.1Å; P326-W460 HydrophobicContact CG-CH2 4.27Å; P326-W460 HydrophobicContact CG-CZ3 4.2Å; P326-W460 WeakPolarHBondContact O-CZ3 3.47Å
327L94.6Very high91.7Very high0 Ų035.4 Ų35.40%021%0.21CC..THydrogen-bonded Turntrans62.911.4179.5-53.6171.9000115.3Q316 P317 L445 L447 V448 V463Q316-L327 HydrophobicContact CB-CD2 3.86Å; Q316-L327 HydrophobicContact CB-CG 4.44Å; Q316-L327 HydrophobicContact CG-CD2 4.37Å; P317-L327 PolarHBondContact O-N 3.11Å; L327-L445 HydrophobicContact CD1-CB 3.8Å; L327-L445 HydrophobicContact CD1-CD1 4.05Å; L327-L445 HydrophobicContact CD2-CB 3.89Å; L327-L447 HydrophobicContact CB-CB 4.19Å; L327-L447 HydrophobicContact CD2-CB 4.37Å; L327-L447 CarbonylContact O-C 3.51Å; L327-L447 WeakPolarHBondContact O-CA 3.44Å; L327-L447 WeakPolarHBondContact O-CB 3.38Å; L327-V448 PolarHBondContact O-N 3.28Å; L327-V463 HydrophobicContact CB-CG1 3.94Å; L327-V463 HydrophobicContact CB-CG2 4Å; L327-V463 HydrophobicContact CD1-CG1 3.94Å
328I95.3Very high91.6Very high0 Ų036 Ų360%021%0.213CC..EExtended strand (participates in β ladder)trans-114.5124.4166.8-50.6175000108.3M319 K325 P326 V448 I450 L456 W460 V463M319-I328 WeakPolarHBondContact CE-O 3.42Å; K325-I328 HydrophobicContact CB-CD1 4.14Å; K325-I328 HydrophobicContact CD-CD1 4.49Å; P326-I328 PolarHBondContact O-N 3.4Å; P326-I328 VanDerWaalsContact O-N 3.1Å; I328-V448 WeakPolarHBondContact CA-O 3.04Å; I328-I450 HydrophobicContact CG2-CD1 3.72Å; I328-I450 HydrophobicContact CG2-CG1 3.97Å; I328-I450 HydrophobicContact CG2-CG2 3.94Å; I328-L456 HydrophobicContact CB-CD1 4.32Å; I328-L456 HydrophobicContact CD1-CD1 3.89Å; I328-L456 HydrophobicContact CG2-CD1 3.95Å; I328-W460 HydrophobicContact CD1-CB 3.68Å; I328-W460 HydrophobicContact CD1-CD2 4.49Å; I328-W460 HydrophobicContact CD1-CE3 3.95Å; I328-W460 HydrophobicContact CD1-CG 4.45Å; I328-W460 VanDerWaalsContact CD1-N 3.34Å; I328-W460 HydrophobicContact CG1-CE3 4.4Å; I328-V463 HydrophobicContact CG1-CG2 3.98Å
329I95Very high91.6Very high0 Ų034.8 Ų34.80%021%0.205CC..EExtended strand (participates in β ladder)trans-120.9124.8-179.6-52.5-59.6000109.4P317 M319 F335 L400 L447 V448 V449 I450P317-I329 HydrophobicContact CB-CD1 4.03Å; M319-I329 HydrophobicContact CG-CD1 4.28Å; I329-F335 HydrophobicContact CD1-CB 3.66Å; I329-F335 HydrophobicContact CD1-CD1 4.23Å; I329-F335 HydrophobicContact CD1-CD2 3.83Å; I329-F335 HydrophobicContact CD1-CG 3.65Å; I329-F335 HydrophobicContact CG1-CG 4.44Å; I329-F335 HydrophobicContact CG2-CD1 3.64Å; I329-F335 HydrophobicContact CG2-CE1 4.01Å; I329-F335 HydrophobicContact CG2-CG 4.17Å; I329-L400 HydrophobicContact CB-CD1 4.23Å; I329-L400 HydrophobicContact CG2-CD1 3.75Å; I329-L400 HydrophobicContact CG2-CG 4.23Å; I329-L447 HydrophobicContact CG1-CD1 4.04Å; I329-L447 HydrophobicContact CG1-CD2 4.39Å; I329-V448 PolarHBondContact N-O 3.34Å; I329-V449 CarbonylContact O-C 3.57Å; I329-V449 WeakPolarHBondContact O-CA 3.43Å; I329-I450 PolarHBondContact O-N 3.43Å
330K93.6Very high91.6Very high59 Ų5935.2 Ų35.226%0.25721%0.206SC..EExtended strand (participates in β ladder)trans-87.4134172-176.7178.7166.4-167.20110.5M319 G332 V333 I450 S451 V453M319-K330 HydrophobicContact CE-CB 4.33Å; M319-K330 HydrophobicContact SD-CB 3.72Å; M319-K330 PolarHBondContact SD-N 3.39Å; K330-G332 PolarHBondContact O-N 2.99Å; K330-V333 HydrophobicContact CB-CB 4.14Å; K330-V333 HydrophobicContact CB-CG2 3.88Å; K330-V333 HydrophobicContact CD-CG2 3.76Å; K330-V333 HydrophobicContact CG-CG2 3.91Å; K330-V333 PolarHBondContact O-N 3.38Å; K330-V333 VanDerWaalsContact O-N 3.13Å; K330-I450 CarbonylContact C-O 3.54Å; K330-I450 WeakPolarHBondContact CA-O 3.39Å; K330-I450 HydrophobicContact CB-CD1 4.21Å; K330-I450 HydrophobicContact CB-CG1 3.81Å; K330-I450 HydrophobicContact CG-CG1 4.24Å; K330-S451 VanDerWaalsContact CE-O 3.31Å; K330-S451 WeakPolarHBondContact CE-O 3.31Å; K330-V453 HydrophobicContact CD-CG2 4.07Å
331T91.6Very high91.7Very high34 Ų3431.2 Ų31.221%0.20918%0.18CC..THydrogen-bonded Turntrans-57.4136.7174.555.70000111.3V333 F371 V449 I450T331-V333 PolarHBondContact O-N 3.47Å; T331-F371 HydrophobicContact CG2-CD1 4.14Å; T331-F371 HydrophobicContact CG2-CE1 3.73Å; T331-V449 HydrophobicContact CG2-CG1 3.68Å; T331-I450 PolarHBondContact N-O 2.97Å
332G87.6Confident91.9Very high48 Ų4826.9 Ų26.950%0.49515%0.153SC..THydrogen-bonded Turntrans73.7-5.5-176.500000116.2K330 L400K330-G332 PolarHBondContact O-N 2.99Å; G332-L400 PolarHBondContact N-O 2.71Å
333V91.9Very high92.1Very high34 Ų3423.8 Ų23.821%0.20614%0.139CC..SBendtrans-94.4144.4174.7-179.60000110.2M319 K330 T331M319-V333 HydrophobicContact CG-CG1 4.38Å; M319-V333 HydrophobicContact SD-CB 4.15Å; M319-V333 HydrophobicContact SD-CG1 3.87Å; K330-V333 HydrophobicContact CB-CB 4.14Å; K330-V333 HydrophobicContact CB-CG2 3.88Å; K330-V333 HydrophobicContact CD-CG2 3.76Å; K330-V333 HydrophobicContact CG-CG2 3.91Å; K330-V333 PolarHBondContact O-N 3.38Å; K330-V333 VanDerWaalsContact O-N 3.13Å; T331-V333 PolarHBondContact O-N 3.47Å
334Q93.1Very high92Very high85 Ų8522.3 Ų22.340%0.39712%0.123SC..EExtended strand (participates in β ladder)trans-74.9139.9176.6-66.2-177.6-100111.3P320 H397 L398 Q399P320-Q334 WeakPolarHBondContact CD-O 3.42Å; Q334-H397 HydrophobicContact CG-CB 4.49Å; Q334-H397 PolarHBondContact OE1-ND1 2.98Å; Q334-L398 CarbonylContact C-O 3.55Å; Q334-L398 VanDerWaalsContact CA-O 3.27Å; Q334-L398 WeakPolarHBondContact CA-O 3.43Å; Q334-Q399 HydrophobicContact CB-CG 4.38Å; Q334-Q399 HydrophobicContact CG-CG 3.61Å
335F94.2Very high91.8Very high1 Ų120.2 Ų20.20%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-134.5165.1173.369.8-83.9000111.3P317 C318 M319 I329 H397 L398 L400 L425P317-F335 HydrophobicContact CB-CD2 4.09Å; P317-F335 HydrophobicContact CB-CE2 4.27Å; C318-F335 WeakPolarHBondContact O-CA 3.47Å; C318-F335 WeakPolarHBondContact O-CB 3.48Å; M319-F335 HydrophobicContact CG-CB 4.21Å; I329-F335 HydrophobicContact CD1-CB 3.66Å; I329-F335 HydrophobicContact CD1-CD1 4.23Å; I329-F335 HydrophobicContact CD1-CD2 3.83Å; I329-F335 HydrophobicContact CD1-CG 3.65Å; I329-F335 HydrophobicContact CG1-CG 4.44Å; I329-F335 HydrophobicContact CG2-CD1 3.64Å; I329-F335 HydrophobicContact CG2-CE1 4.01Å; I329-F335 HydrophobicContact CG2-CG 4.17Å; F335-H397 PolarHBondContact O-N 3.36Å; F335-L398 HydrophobicContact CD1-CB 3.92Å; F335-L398 WeakPolarHBondContact CD1-O 3.48Å; F335-L398 HydrophobicContact CD2-CB 4.11Å; F335-L398 HydrophobicContact CD2-CD1 4.42Å; F335-L398 HydrophobicContact CE1-CB 3.46Å; F335-L398 VanDerWaalsContact CE1-CB 3.46Å; F335-L398 WeakPolarHBondContact CE1-O 3.44Å; F335-L398 HydrophobicContact CE2-CB 3.71Å; F335-L398 HydrophobicContact CE2-CD1 3.64Å; F335-L398 HydrophobicContact CE2-CG 4.33Å; F335-L398 HydrophobicContact CG-CB 4.22Å; F335-L398 HydrophobicContact CZ-CB 3.36Å; F335-L398 HydrophobicContact CZ-CD1 3.84Å; F335-L398 HydrophobicContact CZ-CG 4.26Å; F335-L398 PolarHBondContact N-O 3.18Å; F335-L398 PolarHBondContact O-N 3.49Å; F335-L400 HydrophobicContact CE1-CD1 4.45Å; F335-L400 HydrophobicContact CE1-CD2 4.36Å; F335-L400 HydrophobicContact CE1-CG 3.84Å; F335-L400 HydrophobicContact CZ-CD2 4.46Å; F335-L400 HydrophobicContact CZ-CG 4.3Å; F335-L425 HydrophobicContact CE2-CD2 4.15Å
336T94Very high91Very high38 Ų3824.1 Ų24.123%0.23314%0.141CC..EExtended strand (participates in β ladder)trans-126.1147.3-177.159.70000111P317 C318 P320 F395 R396P317-T336 WeakPolarHBondContact CA-O 3.49Å; C318-T336 PolarHBondContact N-O 2.9Å; C318-T336 PolarHBondContact O-N 3.26Å; C318-T336 PolarHBondContact O-OG1 2.85Å; P320-T336 HydrophobicContact CG-CG2 4.04Å; T336-F395 VanDerWaalsContact CA-O 3.3Å; T336-F395 WeakPolarHBondContact CA-O 3.48Å; T336-R396 HydrophobicContact CG2-CG 4.49Å
337T94.5Very high90.3Very high1 Ų127.6 Ų27.61%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-150.8149.5171.7-175.70000109.4K315 F395 L398 L425 F427K315-T337 WeakPolarHBondContact O-CA 3.4Å; K315-T337 PolarHBondContact O-OG1 3.13Å; T337-F395 HydrophobicContact CG2-CB 4.01Å; T337-F395 HydrophobicContact CG2-CD2 4.34Å; T337-F395 PolarHBondContact N-O 3.01Å; T337-F395 VanDerWaalsContact N-O 3.16Å; T337-F395 PolarHBondContact O-N 2.84Å; T337-L398 HydrophobicContact CG2-CD1 3.9Å; T337-L425 HydrophobicContact CG2-CD2 3.87Å; T337-F427 HydrophobicContact CG2-CE1 3.86Å; T337-F427 HydrophobicContact CG2-CZ 3.65Å
338K93.3Very high89.2Confident11 Ų1127.7 Ų27.75%0.04816%0.156CC..EExtended strand (participates in β ladder)trans-126.9131.5-178.9-169.4177.4176.3-170.40110E314 K315 E384 S392 V393 E394E314-K338 PolarHBondContact N-O 2.95Å; E314-K338 WeakPolarHBondContact OE2-CD 3.42Å; E314-K338 WeakPolarHBondContact OE2-CE 3.07Å; E314-K338 IonicContact OE2-NZ 2.82Å; E314-K338 PolarHBondContact OE2-NZ 3.4Å; K315-K338 HydrophobicContact CB-CB 3.75Å; K315-K338 HydrophobicContact CD-CB 4.24Å; K315-K338 HydrophobicContact CD-CD 4.49Å; K315-K338 HydrophobicContact CG-CB 3.98Å; K315-K338 PolarHBondContact N-O 2.5Å; K315-K338 PolarHBondContact O-N 3.22Å; K338-E384 WeakPolarHBondContact CE-OE1 3.15Å; K338-E384 IonicContact NZ-OE1 2.9Å; K338-E384 PolarHBondContact NZ-OE1 2.95Å; K338-E384 IonicContact NZ-OE2 2.93Å; K338-E384 PolarHBondContact NZ-OE2 2.75Å; K338-S392 WeakPolarHBondContact CE-OG 3.21Å; K338-S392 PolarHBondContact NZ-OG 3.21Å; K338-V393 WeakPolarHBondContact CA-O 3.34Å; K338-E394 HydrophobicContact CB-CB 4.48Å; K338-E394 HydrophobicContact CB-CG 4.35Å; K338-E394 HydrophobicContact CG-CB 4.19Å
339V93.8Very high88.1Confident0 Ų029.9 Ų29.90%017%0.168CC..EExtended strand (participates in β ladder)trans-115.8141.1176.6-173.10000108.6F311 V312 S392 V393 F427 T442F311-V339 HydrophobicContact CD2-CG1 3.89Å; F311-V339 HydrophobicContact CE1-CG1 4.33Å; F311-V339 HydrophobicContact CE2-CG1 3.29Å; F311-V339 HydrophobicContact CZ-CG1 3.55Å; V312-V339 WeakPolarHBondContact O-CA 3.33Å; V312-V339 VanDerWaalsContact O-CG1 3.31Å; V312-V339 WeakPolarHBondContact O-CG1 3.34Å; V339-S392 CarbonylContact O-C 3.59Å; V339-S392 VanDerWaalsContact O-CA 3.29Å; V339-S392 WeakPolarHBondContact O-CA 3.35Å; V339-S392 WeakPolarHBondContact O-CB 3.35Å; V339-V393 HydrophobicContact CB-CG1 3.99Å; V339-V393 PolarHBondContact N-O 2.99Å; V339-V393 PolarHBondContact O-N 3.08Å; V339-F427 HydrophobicContact CG2-CB 4.41Å; V339-F427 HydrophobicContact CG2-CD1 3.53Å; V339-F427 HydrophobicContact CG2-CD2 3.86Å; V339-F427 HydrophobicContact CG2-CE1 3.53Å; V339-F427 HydrophobicContact CG2-CE2 3.86Å; V339-F427 HydrophobicContact CG2-CG 3.68Å; V339-F427 HydrophobicContact CG2-CZ 3.67Å; V339-T442 HydrophobicContact CG1-CG2 4.2Å
340R92.6Very high87.1Confident11 Ų1136.5 Ų36.54%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-131.5143.9-176-176.2173.4178.6162.3-4.8110.2V312 E314V312-R340 PolarHBondContact N-O 2.93Å; V312-R340 PolarHBondContact O-N 2.9Å; E314-R340 HydrophobicContact CB-CB 3.99Å; E314-R340 IonicContact OE1-CZ 2.67Å; E314-R340 IonicContact OE1-NH1 3.56Å; E314-R340 PolarHBondContact OE1-NH1 3.34Å
341L92.6Very high86.4Confident0 Ų039.4 Ų39.40%021%0.208CC..EExtended strand (participates in β ladder)trans-99.5118.6166.4-166.571.9000108S310 F311 V343 L352 M381 L391 F431 L440S310-L341 WeakPolarHBondContact OG-CD1 3.43Å; F311-L341 HydrophobicContact CB-CD1 4.05Å; F311-L341 HydrophobicContact CD2-CD1 4.14Å; L341-V343 WeakPolarHBondContact CD2-O 3.42Å; L341-V343 HydrophobicContact CG-CB 4.47Å; L341-V343 PolarHBondContact O-N 3.36Å; L341-L352 HydrophobicContact CD2-CD1 3.9Å; L341-M381 HydrophobicContact CB-CE 3.97Å; L341-M381 HydrophobicContact CB-SD 3.92Å; L341-L391 HydrophobicContact CB-CD2 4.18Å; L341-L391 HydrophobicContact CD2-CD2 3.83Å; L341-L391 PolarHBondContact N-O 3.46Å; L341-F431 HydrophobicContact CD2-CD2 4.37Å; L341-F431 HydrophobicContact CD2-CE2 4.4Å; L341-L440 HydrophobicContact CD1-CD1 3.99Å
342L91.9Very high86Confident0 Ų038 Ų380%020%0.199CC..SBendtrans-70.8-13179.8-57.9177.2000113L230 L250 L253 Q254 F257 T258 S310 V312L230-L342 HydrophobicContact CD1-CD1 3.89Å; L250-L342 HydrophobicContact CD1-CD2 3.43Å; L250-L342 VanDerWaalsContact CD1-CD2 3.43Å; L250-L342 HydrophobicContact CG-CD2 4.29Å; L253-L342 HydrophobicContact CB-CD1 4.39Å; Q254-L342 WeakPolarHBondContact CA-O 3.43Å; Q254-L342 WeakPolarHBondContact CG-O 3.38Å; Q254-L342 VanDerWaalsContact O-O 3.1Å; F257-L342 HydrophobicContact CB-CB 3.91Å; F257-L342 HydrophobicContact CD1-CB 4.37Å; F257-L342 HydrophobicContact CD2-CB 4.29Å; F257-L342 HydrophobicContact CD2-CD1 4.01Å; F257-L342 HydrophobicContact CE2-CD1 4.04Å; F257-L342 HydrophobicContact CG-CB 3.94Å; F257-L342 HydrophobicContact CG-CD1 4.36Å; F257-L342 HydrophobicContact CZ-CD1 4.42Å; T258-L342 PolarHBondContact OG1-O 3.04Å; T258-L342 VanDerWaalsContact OG1-O 3.09Å; S310-L342 WeakPolarHBondContact O-CG 3.47Å; S310-L342 PolarHBondContact O-N 3.08Å; V312-L342 HydrophobicContact CG1-CD1 4.38Å; V312-L342 HydrophobicContact CG2-CD1 4.29Å; V312-L342 HydrophobicContact CG2-CD2 4.06Å; V312-L342 HydrophobicContact CG2-CG 4.01Å
343V89.9Confident86.1Confident1 Ų142.9 Ų42.91%0.00621%0.207CC..SBendtrans-94.6111.7173.4173.30000109F257 A261 I307 L341 L345F257-V343 HydrophobicContact CB-CG2 4Å; F257-V343 HydrophobicContact CD1-CG2 4.31Å; A261-V343 HydrophobicContact CB-CB 4.46Å; A261-V343 HydrophobicContact CB-CG1 3.61Å; A261-V343 HydrophobicContact CB-CG2 3.96Å; I307-V343 HydrophobicContact CD1-CB 4Å; I307-V343 HydrophobicContact CD1-CG1 3.74Å; I307-V343 HydrophobicContact CD1-CG2 4.04Å; L341-V343 WeakPolarHBondContact CD2-O 3.42Å; L341-V343 HydrophobicContact CG-CB 4.47Å; L341-V343 PolarHBondContact O-N 3.36Å; V343-L345 HydrophobicContact CG1-CD1 3.86Å; V343-L345 HydrophobicContact CG1-CG 3.8Å
344K85.6Confident86.1Confident60 Ų6041.2 Ų41.226%0.26120%0.197SC..  trans-93.6106.7176-174.5-169.8-176.7171.60110.2T258 N388 G389T258-K344 HydrophobicContact CG2-CB 4.1Å; T258-K344 VanDerWaalsContact CG2-O 3.3Å; T258-K344 WeakPolarHBondContact CG2-O 3.24Å; T258-K344 PolarHBondContact OG1-N 2.82Å; K344-N388 PolarHBondContact NZ-O 2.97Å; K344-G389 WeakPolarHBondContact CD-O 3.22Å; K344-G389 WeakPolarHBondContact CE-O 3.5Å; K344-G389 PolarHBondContact NZ-O 2.9Å
345L80.8Confident86.1Confident11 Ų1141.5 Ų41.56%0.05820%0.197CC..  trans-121.9117.4172.8-67.9171.9000108.7Q262 F265 V343 E347 V348 F431Q262-L345 HydrophobicContact CG-CD2 4.32Å; F265-L345 HydrophobicContact CD2-CD1 4.18Å; F265-L345 HydrophobicContact CE2-CD1 3.66Å; F265-L345 HydrophobicContact CZ-CD1 4.33Å; V343-L345 HydrophobicContact CG1-CD1 3.86Å; V343-L345 HydrophobicContact CG1-CG 3.8Å; L345-E347 PolarHBondContact O-N 3.18Å; L345-E347 VanDerWaalsContact O-N 3.13Å; L345-V348 HydrophobicContact CB-CB 4.43Å; L345-V348 HydrophobicContact CB-CG2 3.68Å; L345-V348 HydrophobicContact CD1-CG2 4.32Å; L345-V348 WeakPolarHBondContact O-CB 3.35Å; L345-V348 PolarHBondContact O-N 3.19Å; L345-V348 VanDerWaalsContact O-N 3.08Å; L345-F431 HydrophobicContact CD1-CE2 4.44Å; L345-F431 HydrophobicContact CD1-CZ 3.99Å
346P73.4Confident85.9Confident94 Ų9441.4 Ų41.461%0.6120%0.196SC*.G310 helixtrans-55-29.2178.3-2533.7000113.3V348 D349P346-V348 PolarHBondContact O-N 2.91Å; P346-V348 VanDerWaalsContact O-N 3.15Å; P346-D349 PolarHBondContact O-N 3.05Å
347E75.9Confident85.7Confident91 Ų9140.9 Ų40.943%0.42519%0.193SC..G310 helixtrans-66.5-12.9-179.6-5794.3150.800113.9R269 L345 Q351R269-E347 IonicContact NH2-OE1 2.84Å; L345-E347 PolarHBondContact O-N 3.18Å; L345-E347 VanDerWaalsContact O-N 3.13Å; E347-Q351 PolarHBondContact O-NE2 2.99Å; E347-Q351 PolarHBondContact O-OE1 3.07Å
348V72.5Confident85.4Confident2 Ų242 Ų421%0.01220%0.198CC..G310 helixtrans-104.5-5.3-171.5-171.90000112L345 P346 Y350 Q351 L352 L391 F431 V433L345-V348 HydrophobicContact CB-CB 4.43Å; L345-V348 HydrophobicContact CB-CG2 3.68Å; L345-V348 HydrophobicContact CD1-CG2 4.32Å; L345-V348 WeakPolarHBondContact O-CB 3.35Å; L345-V348 PolarHBondContact O-N 3.19Å; L345-V348 VanDerWaalsContact O-N 3.08Å; P346-V348 PolarHBondContact O-N 2.91Å; P346-V348 VanDerWaalsContact O-N 3.15Å; V348-Y350 PolarHBondContact O-N 3.37Å; V348-Q351 PolarHBondContact O-N 3.16Å; V348-Q351 VanDerWaalsContact O-N 3.11Å; V348-L352 HydrophobicContact CG1-CD1 3.33Å; V348-L352 HydrophobicContact CG1-CG 3.59Å; V348-L391 HydrophobicContact CB-CD2 4.49Å; V348-L391 HydrophobicContact CG1-CD2 4.23Å; V348-F431 HydrophobicContact CB-CE2 4.47Å; V348-F431 HydrophobicContact CG1-CD2 4.04Å; V348-F431 HydrophobicContact CG1-CE2 3.92Å; V348-F431 HydrophobicContact CG2-CE2 3.7Å; V348-F431 HydrophobicContact CG2-CZ 4.15Å; V348-V433 HydrophobicContact CG2-CG2 3.44Å; V348-V433 VanDerWaalsContact CG2-CG2 3.44Å
349D72.1Confident84.9Confident47 Ų4742.3 Ų42.325%0.25120%0.2SC..THydrogen-bonded Turntrans-59133.8-179-164.118.5000111.4P346 Q351 I383P346-D349 PolarHBondContact O-N 3.05Å; D349-Q351 PolarHBondContact O-N 2.95Å; D349-I383 HydrophobicContact CB-CD1 3.91Å; D349-I383 HydrophobicContact CB-CG1 4.4Å
350Y73.8Confident84.2Confident139 Ų13944.7 Ų44.755%0.54521%0.21SC..THydrogen-bonded Turntrans572.7-172.7-60.3-84.1000117.8V348 V380 M381 D382V348-Y350 PolarHBondContact O-N 3.37Å; Y350-V380 HydrophobicContact CD1-CG1 4.46Å; Y350-V380 WeakPolarHBondContact O-CG1 3.06Å; Y350-M381 PolarHBondContact N-O 3.32Å; Y350-D382 HydrophobicContact CE1-CB 4.31Å; Y350-D382 VanDerWaalsContact CZ-CG 3.47Å; Y350-D382 PolarHBondContact OH-OD1 2.87Å; Y350-D382 PolarHBondContact OH-OD2 3.23Å
351Q78.3Confident83Confident120 Ų12049.4 Ų49.456%0.56124%0.236SC*.THydrogen-bonded Turntrans-87.4-31.2-179.6-65.2-176.66.600112.8E347 V348 D349 K353E347-Q351 PolarHBondContact O-NE2 2.99Å; E347-Q351 PolarHBondContact O-OE1 3.07Å; V348-Q351 PolarHBondContact O-N 3.16Å; V348-Q351 VanDerWaalsContact O-N 3.11Å; D349-Q351 PolarHBondContact O-N 2.95Å; Q351-K353 PolarHBondContact O-N 3.02Å
352L84.9Confident81.8Confident4 Ų451.7 Ų51.72%0.02125%0.248CC..  trans-81.2108.3-176.3-77.5168.2000111.8L341 V348 V380 M381 L391 A429 C430 F431 L440L341-L352 HydrophobicContact CD2-CD1 3.9Å; V348-L352 HydrophobicContact CG1-CD1 3.33Å; V348-L352 HydrophobicContact CG1-CG 3.59Å; L352-V380 WeakPolarHBondContact O-CA 3.34Å; L352-M381 HydrophobicContact CB-CB 3.95Å; L352-M381 HydrophobicContact CD1-SD 3.92Å; L352-M381 PolarHBondContact O-N 3.31Å; L352-L391 HydrophobicContact CD1-CD2 3.97Å; L352-A429 HydrophobicContact CD2-CB 4.34Å; L352-C430 WeakPolarHBondContact CD2-O 3.28Å; L352-F431 HydrophobicContact CD1-CD2 4.34Å; L352-F431 HydrophobicContact CD2-CB 4Å; L352-F431 HydrophobicContact CD2-CD2 4.3Å; L352-L440 HydrophobicContact CD2-CD1 4.38Å
353K89.4Confident80.1Confident150 Ų15055.1 Ų55.165%0.65227%0.27SS*.EExtended strand (participates in β ladder)trans-90.3115.8167.5-63.1-172.6179.6176.50109.6Q351 V380Q351-K353 PolarHBondContact O-N 3.02Å; K353-V380 HydrophobicContact CG-CG2 4.23Å
354V91.9Very high78.2Confident0 Ų060.5 Ų60.50%032%0.315CS..EExtended strand (participates in β ladder)trans-95.2124.3176.2-174.90000109.1F311 T378 K379 V393 F395 F427 E428 A429F311-V354 HydrophobicContact CE2-CG2 4.43Å; F311-V354 HydrophobicContact CZ-CG1 4.04Å; F311-V354 HydrophobicContact CZ-CG2 4.4Å; V354-T378 CarbonylContact O-C 3.6Å; V354-T378 VanDerWaalsContact O-CA 3.28Å; V354-T378 WeakPolarHBondContact O-CA 3.06Å; V354-K379 PolarHBondContact N-O 2.84Å; V354-K379 PolarHBondContact O-N 3.06Å; V354-V393 HydrophobicContact CB-CG1 4.02Å; V354-V393 HydrophobicContact CG1-CG1 4.29Å; V354-V393 HydrophobicContact CG2-CG1 3.76Å; V354-F395 HydrophobicContact CB-CE2 4.41Å; V354-F395 HydrophobicContact CB-CZ 4Å; V354-F395 HydrophobicContact CG1-CE2 4.01Å; V354-F395 HydrophobicContact CG1-CZ 3.87Å; V354-F427 HydrophobicContact CG1-CB 4.09Å; V354-F427 HydrophobicContact CG1-CD1 4.32Å; V354-E428 CarbonylContact C-O 3.15Å; V354-E428 WeakPolarHBondContact CA-O 3.34Å; V354-A429 HydrophobicContact CG2-CB 4.07Å
355K92.5Very high76.7Confident90 Ų9061.4 Ų61.439%0.39134%0.342SS..EExtended strand (participates in β ladder)trans-103.7133.7173.8-177.7-174.4172.8-157.40109.7T357 N377 T378 F427 E428K355-T357 HydrophobicContact CD-CG2 4.47Å; K355-T357 HydrophobicContact CG-CG2 4.45Å; K355-N377 CarbonylContact C-O 3.57Å; K355-N377 WeakPolarHBondContact CA-O 3.08Å; K355-T378 HydrophobicContact CB-CG2 3.96Å; K355-T378 HydrophobicContact CG-CG2 3.91Å; K355-F427 CarbonylContact O-C 3.53Å; K355-F427 WeakPolarHBondContact O-CA 3.44Å; K355-E428 PolarHBondContact N-O 3.44Å; K355-E428 IonicContact NZ-OE2 3.78Å; K355-E428 PolarHBondContact O-N 2.94Å
356T91.2Very high75.6Confident0 Ų069.7 Ų69.70%037%0.372CS..EExtended strand (participates in β ladder)trans-104.4131.6177-53.60000109.9I373 N377 F395 L425 S426 F427T356-I373 HydrophobicContact CG2-CD1 3.76Å; T356-N377 PolarHBondContact N-O 3.48Å; T356-N377 WeakPolarHBondContact O-CB 3.03Å; T356-F395 WeakPolarHBondContact OG1-CE1 3.25Å; T356-F395 VanDerWaalsContact OG1-CZ 3.23Å; T356-F395 WeakPolarHBondContact OG1-CZ 3.25Å; T356-L425 HydrophobicContact CG2-CD1 3.37Å; T356-L425 HydrophobicContact CG2-CD2 3.9Å; T356-L425 HydrophobicContact CG2-CG 3.54Å; T356-S426 CarbonylContact C-O 3.54Å; T356-S426 WeakPolarHBondContact CA-O 3.38Å; T356-F427 HydrophobicContact CG2-CD1 4.01Å; T356-F427 HydrophobicContact CG2-CE1 3.82Å; T356-F427 WeakPolarHBondContact OG1-CD1 3.32Å
357T88.4Confident75Confident26 Ų2666.1 Ų66.116%0.1635%0.349CS..EExtended strand (participates in β ladder)trans-128.7141.6175.752.70000109.5K355 S426K355-T357 HydrophobicContact CD-CG2 4.47Å; K355-T357 HydrophobicContact CG-CG2 4.45Å; T357-S426 PolarHBondContact N-O 3.05Å; T357-S426 PolarHBondContact O-N 3.22Å; T357-S426 WeakPolarHBondContact OG1-CB 3.47Å
358F88.5Confident74.6Confident24 Ų2465.5 Ų65.511%0.10536%0.355CS..EExtended strand (participates in β ladder)trans-97.2132.6176.2-161-96.6000108.5K360 F371 I373 L400 H423 L425 L447 V449F358-K360 VanDerWaalsContact C-N 3.31Å; F358-K360 PolarHBondContact O-N 3.46Å; F358-F371 HydrophobicContact CD1-CB 3.78Å; F358-F371 HydrophobicContact CE1-CB 3.69Å; F358-F371 AromaticContact CE1-CD2 3.83Å; F358-F371 HydrophobicContact CE1-CD2 3.83Å; F358-F371 HydrophobicContact CE1-CG 4.15Å; F358-F371 HydrophobicContact CZ-CB 4.48Å; F358-I373 HydrophobicContact CB-CD1 4.38Å; F358-I373 HydrophobicContact CB-CG1 4.22Å; F358-L400 HydrophobicContact CD2-CD1 4.14Å; F358-L400 HydrophobicContact CD2-CD2 3.67Å; F358-L400 HydrophobicContact CE2-CD1 3.5Å; F358-L400 VanDerWaalsContact CE2-CD1 3.5Å; F358-L400 HydrophobicContact CE2-CD2 3.93Å; F358-L400 HydrophobicContact CE2-CG 4.37Å; F358-L400 HydrophobicContact CG-CD2 4.05Å; F358-L400 HydrophobicContact CZ-CD1 3.71Å; F358-H423 HydrophobicContact CE1-CB 3.7Å; F358-H423 AromaticContact CE1-CG 3.87Å; F358-H423 AromaticContact CE1-ND1 3.71Å; F358-H423 HydrophobicContact CE2-CB 4.36Å; F358-H423 HydrophobicContact CZ-CB 3.4Å; F358-H423 AromaticContact CZ-CG 3.89Å; F358-L425 HydrophobicContact CD2-CD1 3.79Å; F358-L447 HydrophobicContact CE2-CD1 4.12Å; F358-L447 HydrophobicContact CE2-CD2 4.37Å; F358-L447 HydrophobicContact CZ-CD1 4.06Å; F358-V449 HydrophobicContact CZ-CG2 3.78Å
359D83.1Confident74.9Confident19 Ų1966.8 Ų66.810%0.10236%0.359CS..SBendtrans55.742.7172.9-77.5-13.4000114.5L362 H423 S424D359-L362 HydrophobicContact CB-CD1 3.45Å; D359-L362 VanDerWaalsContact CB-CD1 3.45Å; D359-L362 HydrophobicContact CB-CG 3.89Å; D359-H423 WeakPolarHBondContact OD1-CA 3.31Å; D359-H423 WeakPolarHBondContact OD1-CB 3.27Å; D359-H423 IonicContact OD1-CG 3.72Å; D359-H423 IonicContact OD1-ND1 3.21Å; D359-H423 IonicContact OD2-CE1 2.98Å; D359-H423 IonicContact OD2-CG 2.96Å; D359-H423 IonicContact OD2-ND1 2.65Å; D359-H423 PolarHBondContact OD2-ND1 2.94Å; D359-S424 PolarHBondContact N-O 2.85Å; D359-S424 PolarHBondContact OD1-N 3.22Å
360K78Confident75.4Confident49 Ų4968.4 Ų68.421%0.21337%0.365CS..THydrogen-bonded Turntrans-64.8138.3173.5-167.7-168.4159.1-165.80110.3F358 L362 E428 E441 R474F358-K360 VanDerWaalsContact C-N 3.31Å; F358-K360 PolarHBondContact O-N 3.46Å; K360-L362 VanDerWaalsContact C-N 3.33Å; K360-L362 PolarHBondContact O-N 3.11Å; K360-E428 WeakPolarHBondContact CD-OE1 3.33Å; K360-E428 WeakPolarHBondContact CE-OE1 3.47Å; K360-E428 IonicContact NZ-OE1 3.67Å; K360-E428 PolarHBondContact NZ-OE1 3.24Å; K360-E441 IonicContact NZ-OE1 3.55Å; K360-E441 PolarHBondContact NZ-OE1 3.11Å; K360-E441 IonicContact NZ-OE2 3.93Å; K360-E441 PolarHBondContact NZ-OE2 3.24Å; K360-E441 VanDerWaalsContact NZ-OE2 3.16Å; K360-R474 PolarHBondContact O-NH2 2.83Å
361D68.3Low76Confident110 Ų11062.5 Ų62.559%0.58834%0.342SS*.THydrogen-bonded Turntrans62.427.7176.1-46.8-46.4000115.8P363D361-P363 WeakPolarHBondContact O-CD 3.35Å
362L66.3Low76.3Confident48 Ų4860.9 Ų60.925%0.25133%0.334SS..PPolyproline II helixtrans-64.7126.4171.9-78.4-176.8000111.4D359 K360 A364 V367 L476D359-L362 HydrophobicContact CB-CD1 3.45Å; D359-L362 VanDerWaalsContact CB-CD1 3.45Å; D359-L362 HydrophobicContact CB-CG 3.89Å; K360-L362 VanDerWaalsContact C-N 3.33Å; K360-L362 PolarHBondContact O-N 3.11Å; L362-A364 PolarHBondContact O-N 3.25Å; L362-V367 HydrophobicContact CD1-CB 3.99Å; L362-V367 HydrophobicContact CD1-CG2 3.75Å; L362-V367 HydrophobicContact CD2-CG2 3.65Å; L362-V367 HydrophobicContact CG-CG2 4.37Å; L362-L476 HydrophobicContact CD2-CD1 3.41Å; L362-L476 VanDerWaalsContact CD2-CD1 3.41Å
363P56.3Low76.4Confident72 Ų7262 Ų6247%0.46834%0.339SS..PPolyproline II helixtrans-60135.4167.1-17.229.1000109.9D361 G365 R366D361-P363 WeakPolarHBondContact O-CD 3.35Å; P363-G365 PolarHBondContact O-N 2.9Å; P363-R366 HydrophobicContact CB-CG 4.44Å; P363-R366 PolarHBondContact O-N 3.02Å
364A50.7Low76Confident114 Ų11458.8 Ų58.894%0.94233%0.329SS*.THydrogen-bonded Turntrans-54.4123.9175.400000110.3L362L362-A364 PolarHBondContact O-N 3.25Å
365G54Low75.4Confident80 Ų8061 Ų6183%0.82534%0.342SS*.THydrogen-bonded Turntrans95.4-0.3174.100000117.3P363P363-G365 PolarHBondContact O-N 2.9Å
366R58.1Low74.7Confident185 Ų18562.1 Ų62.170%0.69835%0.352SS*.SBendtrans-86.7-24.6175.5-80.2-163-179.6-171.50.4115.3P363P363-R366 HydrophobicContact CB-CG 4.44Å; P363-R366 PolarHBondContact O-N 3.02Å
367V61.1Low74.3Confident19 Ų1964.8 Ų64.812%0.11537%0.367CS..  trans-125.6123.9179.6-170.90000108.1L362 R369 H423L362-V367 HydrophobicContact CD1-CB 3.99Å; L362-V367 HydrophobicContact CD1-CG2 3.75Å; L362-V367 HydrophobicContact CD2-CG2 3.65Å; L362-V367 HydrophobicContact CG-CG2 4.37Å; V367-R369 VanDerWaalsContact CG1-O 3.28Å; V367-R369 WeakPolarHBondContact CG1-O 3.45Å; V367-H423 WeakPolarHBondContact CG1-CE1 3.3Å
368S66.5Low74.2Confident78 Ų7866.6 Ų66.655%0.54538%0.378SS..SBendtrans-74.3-34.9-173.4-35.50000111.8E421S368-E421 WeakPolarHBondContact CB-OE1 3.17Å; S368-E421 PolarHBondContact OG-OE1 2.95Å
369R80.2Confident74.3Confident29 Ų2969.8 Ų69.811%0.10939%0.392CS..  trans-108140.3-177.7-67.1178.8-66.4149.77.7111.6V367 F371 E402 V418 E421 H423 V449V367-R369 VanDerWaalsContact CG1-O 3.28Å; V367-R369 WeakPolarHBondContact CG1-O 3.45Å; R369-F371 HydrophobicContact CB-CE2 3.77Å; R369-F371 HydrophobicContact CB-CZ 3.88Å; R369-E402 WeakPolarHBondContact CD-OE1 3.48Å; R369-V418 VanDerWaalsContact NH1-CG1 3.32Å; R369-V418 PolarHBondContact NH2-O 3.16Å; R369-E421 IonicContact CZ-OE2 3.35Å; R369-E421 IonicContact NE-OE2 3.68Å; R369-E421 PolarHBondContact NE-OE2 3.24Å; R369-E421 IonicContact NH2-OE2 3.75Å; R369-E421 PolarHBondContact NH2-OE2 2.78Å; R369-H423 PolarHBondContact O-CE1 2.85Å; R369-V449 PolarHBondContact NH1-O 3.25Å
370Q81.3Confident74.6Confident81 Ų8171.5 Ų71.538%0.37940%0.403SS..  trans-118.9140.4177.4-68.8-178.7-3.400110.5K403 Y405Q370-K403 HydrophobicContact CB-CB 4.32Å; Q370-K403 WeakPolarHBondContact O-CB 3.34Å; Q370-K403 PolarHBondContact O-N 3.03Å; Q370-Y405 PolarHBondContact OE1-OH 3.01Å
371F86.3Confident75Confident15 Ų1569.2 Ų69.27%0.06639%0.393CS..EExtended strand (participates in β ladder)trans-126.3155.1-178.6-56.4-87.2000111T331 F358 R369 K401 E402 H423 V449T331-F371 HydrophobicContact CG2-CD1 4.14Å; T331-F371 HydrophobicContact CG2-CE1 3.73Å; F358-F371 HydrophobicContact CD1-CB 3.78Å; F358-F371 HydrophobicContact CE1-CB 3.69Å; F358-F371 AromaticContact CE1-CD2 3.83Å; F358-F371 HydrophobicContact CE1-CD2 3.83Å; F358-F371 HydrophobicContact CE1-CG 4.15Å; F358-F371 HydrophobicContact CZ-CB 4.48Å; R369-F371 HydrophobicContact CB-CE2 3.77Å; R369-F371 HydrophobicContact CB-CZ 3.88Å; F371-K401 WeakPolarHBondContact CA-O 3.45Å; F371-E402 HydrophobicContact CD1-CB 3.92Å; F371-E402 HydrophobicContact CD1-CG 4.3Å; F371-E402 HydrophobicContact CE1-CB 3.73Å; F371-E402 HydrophobicContact CE1-CG 3.86Å; F371-E402 HydrophobicContact CZ-CG 4.46Å; F371-H423 AromaticContact CD2-CE1 3.68Å; F371-H423 AromaticContact CD2-ND1 3.96Å; F371-H423 AromaticContact CE2-CE1 3.43Å; F371-H423 VanDerWaalsContact CE2-CE1 3.43Å; F371-H423 WeakPolarHBondContact CE2-CE1 3.42Å; F371-H423 AromaticContact CE2-NE2 3.55Å; F371-V449 HydrophobicContact CD1-CG1 3.97Å; F371-V449 HydrophobicContact CD2-CB 4.43Å; F371-V449 HydrophobicContact CD2-CG1 4.38Å; F371-V449 HydrophobicContact CD2-CG2 4.26Å; F371-V449 HydrophobicContact CE1-CB 4.37Å; F371-V449 HydrophobicContact CE1-CG1 3.55Å; F371-V449 HydrophobicContact CE2-CB 3.92Å; F371-V449 HydrophobicContact CE2-CG1 3.99Å; F371-V449 HydrophobicContact CE2-CG2 4.19Å; F371-V449 HydrophobicContact CG-CG1 4.37Å; F371-V449 HydrophobicContact CZ-CB 3.89Å; F371-V449 HydrophobicContact CZ-CG1 3.56Å
372F85.1Confident75.7Confident86 Ų8666.9 Ų66.938%0.37738%0.381SS..EExtended strand (participates in β ladder)trans-132.7154172.665.5-85.4000110.9L374 L400 K401 K403F372-L374 HydrophobicContact CE2-CD2 3.72Å; F372-L374 HydrophobicContact CE2-CG 4.14Å; F372-L374 HydrophobicContact CZ-CD2 4.36Å; F372-L400 WeakPolarHBondContact O-CA 3.46Å; F372-K401 HydrophobicContact CD1-CB 4.49Å; F372-K401 VanDerWaalsContact CD1-O 3.28Å; F372-K401 WeakPolarHBondContact CD1-O 3.44Å; F372-K401 HydrophobicContact CE1-CB 3.93Å; F372-K401 HydrophobicContact CE1-CD 4.41Å; F372-K401 HydrophobicContact CE1-CG 4.05Å; F372-K401 HydrophobicContact CE2-CB 4.17Å; F372-K401 HydrophobicContact CZ-CB 3.77Å; F372-K401 HydrophobicContact CZ-CD 3.8Å; F372-K401 HydrophobicContact CZ-CG 3.9Å; F372-K401 PolarHBondContact N-O 3.35Å; F372-K401 PolarHBondContact O-N 3.31Å; F372-K403 HydrophobicContact CD1-CB 4.36Å
373I87.6Confident76.4Confident27 Ų2766.2 Ų66.214%0.13838%0.377CS..EExtended strand (participates in β ladder)trans-83.8124.6177.9-58171.4000108.1T356 F358 L398 Q399 L400 L425T356-I373 HydrophobicContact CG2-CD1 3.76Å; F358-I373 HydrophobicContact CB-CD1 4.38Å; F358-I373 HydrophobicContact CB-CG1 4.22Å; I373-L398 HydrophobicContact CG2-CD2 4.03Å; I373-Q399 WeakPolarHBondContact CA-O 3.38Å; I373-L400 HydrophobicContact CG1-CD2 3.93Å; I373-L425 HydrophobicContact CD1-CD1 3.92Å
374L80.1Confident77.2Confident83 Ų8365.7 Ų65.744%0.43537%0.368SS..  trans-79.5-29.7-178.8-82.4164000113.7F372 Q399 K401F372-L374 HydrophobicContact CE2-CD2 3.72Å; F372-L374 HydrophobicContact CE2-CG 4.14Å; F372-L374 HydrophobicContact CZ-CD2 4.36Å; L374-Q399 HydrophobicContact CB-CB 4.32Å; L374-Q399 HydrophobicContact CD1-CB 4.27Å; L374-Q399 PolarHBondContact N-O 3.16Å; L374-K401 HydrophobicContact CD1-CB 3.75Å; L374-K401 HydrophobicContact CD1-CD 4.16Å; L374-K401 HydrophobicContact CD2-CB 4.36Å; L374-K401 HydrophobicContact CD2-CD 4.07Å; L374-K401 HydrophobicContact CG-CB 3.91Å; L374-K401 HydrophobicContact CG-CD 4.44Å
375T79.1Confident77.7Confident45 Ų4567 Ų6728%0.27636%0.359SS..SBendtrans-94.7175.6-171.654.40000112N377 H397 L398 Q399T375-N377 PolarHBondContact O-N 3.34Å; T375-N377 VanDerWaalsContact O-N 3.1Å; T375-H397 VanDerWaalsContact CG2-O 3.24Å; T375-H397 WeakPolarHBondContact CG2-O 3.15Å; T375-H397 PolarHBondContact OG1-O 2.95Å; T375-L398 WeakPolarHBondContact OG1-CA 3.16Å; T375-Q399 HydrophobicContact CG2-CB 4.43Å
376N78.5Confident77.7Confident114 Ų11474 Ų7461%0.6136%0.362SS*.  trans-54.4121.6173.3-174.66.4000109.8T378N376-T378 PolarHBondContact ND2-O 3.41Å; N376-T378 VanDerWaalsContact ND2-O 3.1Å; N376-T378 PolarHBondContact OD1-N 3.23Å; N376-T378 PolarHBondContact OD1-O 3.24Å; N376-T378 PolarHBondContact OD1-OG1 3.46Å; N376-T378 VanDerWaalsContact OD1-OG1 3.05Å
377N82.6Confident77.3Confident57 Ų5767.7 Ų67.731%0.30535%0.346SS..  trans-100.36.9-17766.6-16.8000112.2K355 T356 T375K355-N377 CarbonylContact C-O 3.57Å; K355-N377 WeakPolarHBondContact CA-O 3.08Å; T356-N377 PolarHBondContact N-O 3.48Å; T356-N377 WeakPolarHBondContact O-CB 3.03Å; T375-N377 PolarHBondContact O-N 3.34Å; T375-N377 VanDerWaalsContact O-N 3.1Å
378T87.7Confident77.1Confident64 Ų6472.4 Ų72.439%0.39337%0.371SS..EExtended strand (participates in β ladder)trans-124.1132.6176.558.50000110.8V354 K355 N376V354-T378 CarbonylContact O-C 3.6Å; V354-T378 VanDerWaalsContact O-CA 3.28Å; V354-T378 WeakPolarHBondContact O-CA 3.06Å; K355-T378 HydrophobicContact CB-CG2 3.96Å; K355-T378 HydrophobicContact CG-CG2 3.91Å; N376-T378 PolarHBondContact ND2-O 3.41Å; N376-T378 VanDerWaalsContact ND2-O 3.1Å; N376-T378 PolarHBondContact OD1-N 3.23Å; N376-T378 PolarHBondContact OD1-O 3.24Å; N376-T378 PolarHBondContact OD1-OG1 3.46Å; N376-T378 VanDerWaalsContact OD1-OG1 3.05Å
379K90.1Very high77.1Confident91 Ų9169.1 Ų69.140%0.39635%0.35SS..EExtended strand (participates in β ladder)trans-145.1145176.6-168.2172.9173.11780110.5V354 V393 E394 F395V354-K379 PolarHBondContact N-O 2.84Å; V354-K379 PolarHBondContact O-N 3.06Å; K379-V393 HydrophobicContact CB-CG2 3.61Å; K379-V393 HydrophobicContact CD-CG2 3.63Å; K379-V393 HydrophobicContact CG-CG2 3.51Å; K379-E394 WeakPolarHBondContact CD-O 3.5Å; K379-E394 WeakPolarHBondContact CE-O 3.15Å; K379-E394 PolarHBondContact NZ-O 2.76Å; K379-F395 HydrophobicContact CB-CD1 4.09Å; K379-F395 HydrophobicContact CB-CE1 3.55Å; K379-F395 HydrophobicContact CB-CZ 3.96Å
380V88.6Confident77Confident54 Ų5467.8 Ų67.833%0.32735%0.345SS..EExtended strand (participates in β ladder)trans-82.5140.9178.3-1670000109.4Y350 L352 K353 V393Y350-V380 HydrophobicContact CD1-CG1 4.46Å; Y350-V380 WeakPolarHBondContact O-CG1 3.06Å; L352-V380 WeakPolarHBondContact O-CA 3.34Å; K353-V380 HydrophobicContact CG-CG2 4.23Å; V380-V393 WeakPolarHBondContact O-CG2 3.37Å
381M86Confident77.3Confident1 Ų164 Ų641%0.00533%0.327CS..  trans-77.1140.6173.1-148.9173.1-132.600110.6F311 L341 Y350 L352 L391 S392 V393F311-M381 HydrophobicContact CD2-CE 4.45Å; F311-M381 HydrophobicContact CE2-CE 4.04Å; L341-M381 HydrophobicContact CB-CE 3.97Å; L341-M381 HydrophobicContact CB-SD 3.92Å; Y350-M381 PolarHBondContact N-O 3.32Å; L352-M381 HydrophobicContact CB-CB 3.95Å; L352-M381 HydrophobicContact CD1-SD 3.92Å; L352-M381 PolarHBondContact O-N 3.31Å; M381-L391 HydrophobicContact CB-CD1 4.44Å; M381-L391 HydrophobicContact CB-CG 4.47Å; M381-L391 HydrophobicContact CG-CD1 4.17Å; M381-L391 HydrophobicContact CG-CG 3.8Å; M381-L391 HydrophobicContact SD-CD2 3.91Å; M381-L391 HydrophobicContact SD-CG 3.64Å; M381-S392 VanDerWaalsContact CG-C 3.42Å; M381-S392 WeakPolarHBondContact CG-O 3.24Å; M381-V393 HydrophobicContact CB-CB 4.47Å; M381-V393 HydrophobicContact CE-CG1 4.32Å; M381-V393 HydrophobicContact CG-CB 4.21Å
382D84.2Confident77.4Confident62 Ų6263.4 Ų63.433%0.33233%0.325SS..EExtended strand (participates in β ladder)trans-137.9158.4-173.9-167.90.9000110.1Y350 S392Y350-D382 HydrophobicContact CE1-CB 4.31Å; Y350-D382 VanDerWaalsContact CZ-CG 3.47Å; Y350-D382 PolarHBondContact OH-OD1 2.87Å; Y350-D382 PolarHBondContact OH-OD2 3.23Å; D382-S392 PolarHBondContact N-O 2.93Å; D382-S392 PolarHBondContact O-N 3.39Å; D382-S392 VanDerWaalsContact O-O 3.14Å
383I80.5Confident77.7Confident33 Ų3359.4 Ų59.417%0.16931%0.308CS..EExtended strand (participates in β ladder)trans-89117.7176.3-62.9176.3000109.2D349 D385 C390 L391D349-I383 HydrophobicContact CB-CD1 3.91Å; D349-I383 HydrophobicContact CB-CG1 4.4Å; I383-D385 PolarHBondContact O-N 3.49Å; I383-C390 WeakPolarHBondContact CA-O 3.38Å; I383-L391 HydrophobicContact CG1-CD1 3.83Å
384E73.9Confident77.9Confident62 Ų6259.7 Ų59.729%0.2931%0.308SS..EExtended strand (participates in β ladder)trans-78.6120177.2-68.4-178.716700112.3K338 Y386 G389 C390 S392K338-E384 WeakPolarHBondContact CE-OE1 3.15Å; K338-E384 IonicContact NZ-OE1 2.9Å; K338-E384 PolarHBondContact NZ-OE1 2.95Å; K338-E384 IonicContact NZ-OE2 2.93Å; K338-E384 PolarHBondContact NZ-OE2 2.75Å; E384-Y386 VanDerWaalsContact C-N 3.33Å; E384-Y386 PolarHBondContact O-N 2.93Å; E384-G389 VanDerWaalsContact O-CA 3.26Å; E384-G389 WeakPolarHBondContact O-CA 3.17Å; E384-C390 PolarHBondContact N-O 3.32Å; E384-C390 PolarHBondContact OE2-SG 2.96Å; E384-C390 VanDerWaalsContact OE2-SG 3.38Å; E384-S392 PolarHBondContact OE1-OG 3.48Å
385D59.5Low78.4Confident142 Ų14256 Ų5676%0.75929%0.289SS*.THydrogen-bonded Turntrans-67.7-21.1-173.6-69.7-39.2000115.8I383I383-D385 PolarHBondContact O-N 3.49Å
386Y54.4Low78.8Confident226 Ų22661.1 Ų61.189%0.88630%0.303SS*.THydrogen-bonded Turntrans-89-11.5-164.8-62-83000115.4E384E384-Y386 VanDerWaalsContact C-N 3.33Å; E384-Y386 PolarHBondContact O-N 2.93Å
387S49.6Very low79.2Confident52 Ų5260.8 Ų60.836%0.36430%0.298SS..THydrogen-bonded Turntrans-153.399.2-178.256.80000112G389S387-G389 PolarHBondContact O-N 3.46Å
388N57.1Low79.6Confident118 Ų11858.1 Ų58.163%0.63128%0.283SS*.THydrogen-bonded Turntrans53.67.9176.4-71.5-23.6000116.7E251 K344E251-N388 PolarHBondContact OE2-ND2 3.16Å; K344-N388 PolarHBondContact NZ-O 2.97Å
389G67.2Low79.8Confident10 Ų1057.3 Ų57.310%0.10328%0.275CS..  trans58.384-174.100000111.7K344 E384 S387K344-G389 WeakPolarHBondContact CD-O 3.22Å; K344-G389 WeakPolarHBondContact CE-O 3.5Å; K344-G389 PolarHBondContact NZ-O 2.9Å; E384-G389 VanDerWaalsContact O-CA 3.26Å; E384-G389 WeakPolarHBondContact O-CA 3.17Å; S387-G389 PolarHBondContact O-N 3.46Å
390C78.3Confident79.9Confident0 Ų053 Ų530%026%0.256CS..EExtended strand (participates in β ladder)trans-98.2137.2177.2780000111.5I383 E384 S392I383-C390 WeakPolarHBondContact CA-O 3.38Å; E384-C390 PolarHBondContact N-O 3.32Å; E384-C390 PolarHBondContact OE2-SG 2.96Å; E384-C390 VanDerWaalsContact OE2-SG 3.38Å; C390-S392 PolarHBondContact O-N 2.96Å
391L86.5Confident79.9Confident1 Ų155.8 Ų55.81%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-84.1102.6177.8-169.370.1000108.9L341 V348 L352 M381 I383L341-L391 HydrophobicContact CB-CD2 4.18Å; L341-L391 HydrophobicContact CD2-CD2 3.83Å; L341-L391 PolarHBondContact N-O 3.46Å; V348-L391 HydrophobicContact CB-CD2 4.49Å; V348-L391 HydrophobicContact CG1-CD2 4.23Å; L352-L391 HydrophobicContact CD1-CD2 3.97Å; M381-L391 HydrophobicContact CB-CD1 4.44Å; M381-L391 HydrophobicContact CB-CG 4.47Å; M381-L391 HydrophobicContact CG-CD1 4.17Å; M381-L391 HydrophobicContact CG-CG 3.8Å; M381-L391 HydrophobicContact SD-CD2 3.91Å; M381-L391 HydrophobicContact SD-CG 3.64Å; I383-L391 HydrophobicContact CG1-CD1 3.83Å
392S89.6Confident79.9Confident4 Ų458.8 Ų58.83%0.02828%0.278CS..EExtended strand (participates in β ladder)trans-145.1162-17270.30000112.8K338 V339 M381 D382 E384 C390K338-S392 WeakPolarHBondContact CE-OG 3.21Å; K338-S392 PolarHBondContact NZ-OG 3.21Å; V339-S392 CarbonylContact O-C 3.59Å; V339-S392 VanDerWaalsContact O-CA 3.29Å; V339-S392 WeakPolarHBondContact O-CA 3.35Å; V339-S392 WeakPolarHBondContact O-CB 3.35Å; M381-S392 VanDerWaalsContact CG-C 3.42Å; M381-S392 WeakPolarHBondContact CG-O 3.24Å; D382-S392 PolarHBondContact N-O 2.93Å; D382-S392 PolarHBondContact O-N 3.39Å; D382-S392 VanDerWaalsContact O-O 3.14Å; E384-S392 PolarHBondContact OE1-OG 3.48Å; C390-S392 PolarHBondContact O-N 2.96Å
393V90.9Very high79.8Confident2 Ų260.6 Ų60.61%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-134.7122.3174.5640000109.2K338 V339 V354 K379 V380 M381 F395K338-V393 WeakPolarHBondContact CA-O 3.34Å; V339-V393 HydrophobicContact CB-CG1 3.99Å; V339-V393 PolarHBondContact N-O 2.99Å; V339-V393 PolarHBondContact O-N 3.08Å; V354-V393 HydrophobicContact CB-CG1 4.02Å; V354-V393 HydrophobicContact CG1-CG1 4.29Å; V354-V393 HydrophobicContact CG2-CG1 3.76Å; K379-V393 HydrophobicContact CB-CG2 3.61Å; K379-V393 HydrophobicContact CD-CG2 3.63Å; K379-V393 HydrophobicContact CG-CG2 3.51Å; V380-V393 WeakPolarHBondContact O-CG2 3.37Å; M381-V393 HydrophobicContact CB-CB 4.47Å; M381-V393 HydrophobicContact CE-CG1 4.32Å; M381-V393 HydrophobicContact CG-CB 4.21Å; V393-F395 HydrophobicContact CB-CE2 4.49Å; V393-F395 HydrophobicContact CG1-CD2 4.4Å; V393-F395 HydrophobicContact CG1-CE2 3.68Å; V393-F395 HydrophobicContact CG1-CZ 4.34Å; V393-F395 HydrophobicContact CG2-CD2 4.46Å; V393-F395 HydrophobicContact CG2-CE2 4.02Å; V393-F395 HydrophobicContact CG2-CZ 4.21Å
394E91.9Very high79.6Confident32 Ų3267.6 Ų67.615%0.1531%0.312CS..EExtended strand (participates in β ladder)trans-102.2116.2174.4-170178-153.200110.1K338 K379 R396K338-E394 HydrophobicContact CB-CB 4.48Å; K338-E394 HydrophobicContact CB-CG 4.35Å; K338-E394 HydrophobicContact CG-CB 4.19Å; K379-E394 WeakPolarHBondContact CD-O 3.5Å; K379-E394 WeakPolarHBondContact CE-O 3.15Å; K379-E394 PolarHBondContact NZ-O 2.76Å; E394-R396 HydrophobicContact CG-CG 3.97Å; E394-R396 PolarHBondContact O-N 3.48Å; E394-R396 IonicContact OE1-NE 2.71Å; E394-R396 IonicContact OE2-CZ 2.67Å; E394-R396 IonicContact OE2-NE 3.65Å; E394-R396 PolarHBondContact OE2-NE 2.84Å; E394-R396 IonicContact OE2-NH2 3.78Å; E394-R396 PolarHBondContact OE2-NH2 2.89Å
395F90.9Very high79Confident5 Ų571.4 Ų71.42%0.02233%0.325CS..EExtended strand (participates in β ladder)trans-85.3103.5171.1-66.2-91.7000108.4T336 T337 V354 T356 K379 V393 L398 F427T336-F395 VanDerWaalsContact CA-O 3.3Å; T336-F395 WeakPolarHBondContact CA-O 3.48Å; T337-F395 HydrophobicContact CG2-CB 4.01Å; T337-F395 HydrophobicContact CG2-CD2 4.34Å; T337-F395 PolarHBondContact N-O 3.01Å; T337-F395 VanDerWaalsContact N-O 3.16Å; T337-F395 PolarHBondContact O-N 2.84Å; V354-F395 HydrophobicContact CB-CE2 4.41Å; V354-F395 HydrophobicContact CB-CZ 4Å; V354-F395 HydrophobicContact CG1-CE2 4.01Å; V354-F395 HydrophobicContact CG1-CZ 3.87Å; T356-F395 WeakPolarHBondContact OG1-CE1 3.25Å; T356-F395 VanDerWaalsContact OG1-CZ 3.23Å; T356-F395 WeakPolarHBondContact OG1-CZ 3.25Å; K379-F395 HydrophobicContact CB-CD1 4.09Å; K379-F395 HydrophobicContact CB-CE1 3.55Å; K379-F395 HydrophobicContact CB-CZ 3.96Å; V393-F395 HydrophobicContact CB-CE2 4.49Å; V393-F395 HydrophobicContact CG1-CD2 4.4Å; V393-F395 HydrophobicContact CG1-CE2 3.68Å; V393-F395 HydrophobicContact CG1-CZ 4.34Å; V393-F395 HydrophobicContact CG2-CD2 4.46Å; V393-F395 HydrophobicContact CG2-CE2 4.02Å; V393-F395 HydrophobicContact CG2-CZ 4.21Å; F395-L398 HydrophobicContact CB-CD1 3.66Å; F395-L398 HydrophobicContact CB-CD2 4.22Å; F395-L398 HydrophobicContact CB-CG 3.85Å; F395-L398 HydrophobicContact CD1-CD2 4.36Å; F395-L398 HydrophobicContact CG-CD1 4.34Å; F395-F427 HydrophobicContact CD2-CD1 4.48Å; F395-F427 HydrophobicContact CD2-CE1 4.01Å; F395-F427 AromaticContact CE2-CD1 3.99Å; F395-F427 HydrophobicContact CE2-CD1 3.99Å; F395-F427 AromaticContact CE2-CE1 3.99Å; F395-F427 HydrophobicContact CE2-CE1 3.99Å
396R87.1Confident78.4Confident154 Ų15471.2 Ų71.258%0.58133%0.329SS*.EExtended strand (participates in β ladder)trans-94.1149.4171.8-59.3-175.7-174.11712.6109.5T336 E394 L398T336-R396 HydrophobicContact CG2-CG 4.49Å; E394-R396 HydrophobicContact CG-CG 3.97Å; E394-R396 PolarHBondContact O-N 3.48Å; E394-R396 IonicContact OE1-NE 2.71Å; E394-R396 IonicContact OE2-CZ 2.67Å; E394-R396 IonicContact OE2-NE 3.65Å; E394-R396 PolarHBondContact OE2-NE 2.84Å; E394-R396 IonicContact OE2-NH2 3.78Å; E394-R396 PolarHBondContact OE2-NH2 2.89Å; R396-L398 PolarHBondContact O-N 3.1Å
397H87.1Confident77.8Confident106 Ų10667.8 Ų67.849%0.49133%0.326SS..EExtended strand (participates in β ladder)trans66.726.1173.9-44.1-69.9000115.7Q334 F335 T375Q334-H397 HydrophobicContact CG-CB 4.49Å; Q334-H397 PolarHBondContact OE1-ND1 2.98Å; F335-H397 PolarHBondContact O-N 3.36Å; T375-H397 VanDerWaalsContact CG2-O 3.24Å; T375-H397 WeakPolarHBondContact CG2-O 3.15Å; T375-H397 PolarHBondContact OG1-O 2.95Å
398L91.3Very high77.4Confident1 Ų168.5 Ų68.51%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-64.8139.8171.2-65.5-179.9000110.1Q334 F335 T337 I373 T375 F395 R396 L425Q334-L398 CarbonylContact C-O 3.55Å; Q334-L398 VanDerWaalsContact CA-O 3.27Å; Q334-L398 WeakPolarHBondContact CA-O 3.43Å; F335-L398 HydrophobicContact CD1-CB 3.92Å; F335-L398 WeakPolarHBondContact CD1-O 3.48Å; F335-L398 HydrophobicContact CD2-CB 4.11Å; F335-L398 HydrophobicContact CD2-CD1 4.42Å; F335-L398 HydrophobicContact CE1-CB 3.46Å; F335-L398 VanDerWaalsContact CE1-CB 3.46Å; F335-L398 WeakPolarHBondContact CE1-O 3.44Å; F335-L398 HydrophobicContact CE2-CB 3.71Å; F335-L398 HydrophobicContact CE2-CD1 3.64Å; F335-L398 HydrophobicContact CE2-CG 4.33Å; F335-L398 HydrophobicContact CG-CB 4.22Å; F335-L398 HydrophobicContact CZ-CB 3.36Å; F335-L398 HydrophobicContact CZ-CD1 3.84Å; F335-L398 HydrophobicContact CZ-CG 4.26Å; F335-L398 PolarHBondContact N-O 3.18Å; F335-L398 PolarHBondContact O-N 3.49Å; T337-L398 HydrophobicContact CG2-CD1 3.9Å; I373-L398 HydrophobicContact CG2-CD2 4.03Å; T375-L398 WeakPolarHBondContact OG1-CA 3.16Å; F395-L398 HydrophobicContact CB-CD1 3.66Å; F395-L398 HydrophobicContact CB-CD2 4.22Å; F395-L398 HydrophobicContact CB-CG 3.85Å; F395-L398 HydrophobicContact CD1-CD2 4.36Å; F395-L398 HydrophobicContact CG-CD1 4.34Å; R396-L398 PolarHBondContact O-N 3.1Å; L398-L425 HydrophobicContact CD1-CD2 4.36Å
399Q91.8Very high76.4Confident47 Ų4769.3 Ų69.322%0.2235%0.351CS..EExtended strand (participates in β ladder)trans-134.9136.4176.9-70-176.3-20.200111.1Q334 I373 L374 T375Q334-Q399 HydrophobicContact CB-CG 4.38Å; Q334-Q399 HydrophobicContact CG-CG 3.61Å; I373-Q399 WeakPolarHBondContact CA-O 3.38Å; L374-Q399 HydrophobicContact CB-CB 4.32Å; L374-Q399 HydrophobicContact CD1-CB 4.27Å; L374-Q399 PolarHBondContact N-O 3.16Å; T375-Q399 HydrophobicContact CG2-CB 4.43Å
400L91.3Very high75.5Confident0 Ų079.5 Ų79.50%039%0.392CS..EExtended strand (participates in β ladder)trans-100140.3175.3-64.3179.6000111.8I329 G332 F335 F358 F372 I373 V449I329-L400 HydrophobicContact CB-CD1 4.23Å; I329-L400 HydrophobicContact CG2-CD1 3.75Å; I329-L400 HydrophobicContact CG2-CG 4.23Å; G332-L400 PolarHBondContact N-O 2.71Å; F335-L400 HydrophobicContact CE1-CD1 4.45Å; F335-L400 HydrophobicContact CE1-CD2 4.36Å; F335-L400 HydrophobicContact CE1-CG 3.84Å; F335-L400 HydrophobicContact CZ-CD2 4.46Å; F335-L400 HydrophobicContact CZ-CG 4.3Å; F358-L400 HydrophobicContact CD2-CD1 4.14Å; F358-L400 HydrophobicContact CD2-CD2 3.67Å; F358-L400 HydrophobicContact CE2-CD1 3.5Å; F358-L400 VanDerWaalsContact CE2-CD1 3.5Å; F358-L400 HydrophobicContact CE2-CD2 3.93Å; F358-L400 HydrophobicContact CE2-CG 4.37Å; F358-L400 HydrophobicContact CG-CD2 4.05Å; F358-L400 HydrophobicContact CZ-CD1 3.71Å; F372-L400 WeakPolarHBondContact O-CA 3.46Å; I373-L400 HydrophobicContact CG1-CD2 3.93Å; L400-V449 HydrophobicContact CD1-CG1 4.49Å; L400-V449 HydrophobicContact CD1-CG2 3.99Å
401K88.1Confident73.8Confident114 Ų11482.2 Ų82.250%0.49642%0.421SS..EExtended strand (participates in β ladder)trans-129.1140.7168.6-172168.9178.1-179.80110.5F371 F372 L374F371-K401 WeakPolarHBondContact CA-O 3.45Å; F372-K401 HydrophobicContact CD1-CB 4.49Å; F372-K401 VanDerWaalsContact CD1-O 3.28Å; F372-K401 WeakPolarHBondContact CD1-O 3.44Å; F372-K401 HydrophobicContact CE1-CB 3.93Å; F372-K401 HydrophobicContact CE1-CD 4.41Å; F372-K401 HydrophobicContact CE1-CG 4.05Å; F372-K401 HydrophobicContact CE2-CB 4.17Å; F372-K401 HydrophobicContact CZ-CB 3.77Å; F372-K401 HydrophobicContact CZ-CD 3.8Å; F372-K401 HydrophobicContact CZ-CG 3.9Å; F372-K401 PolarHBondContact N-O 3.35Å; F372-K401 PolarHBondContact O-N 3.31Å; L374-K401 HydrophobicContact CD1-CB 3.75Å; L374-K401 HydrophobicContact CD1-CD 4.16Å; L374-K401 HydrophobicContact CD2-CB 4.36Å; L374-K401 HydrophobicContact CD2-CD 4.07Å; L374-K401 HydrophobicContact CG-CB 3.91Å; L374-K401 HydrophobicContact CG-CD 4.44Å
402E87.6Confident71.5Confident64 Ų6489.6 Ų89.630%0.29946%0.46SS..EExtended strand (participates in β ladder)trans-75135.6178.1-169.6173.6-162.900111R369 F371 K404R369-E402 WeakPolarHBondContact CD-OE1 3.48Å; F371-E402 HydrophobicContact CD1-CB 3.92Å; F371-E402 HydrophobicContact CD1-CG 4.3Å; F371-E402 HydrophobicContact CE1-CB 3.73Å; F371-E402 HydrophobicContact CE1-CG 3.86Å; F371-E402 HydrophobicContact CZ-CG 4.46Å; E402-K404 PolarHBondContact O-N 3.47Å
403K81.7Confident69.3Low100 Ų10098.9 Ų98.944%0.43550%0.503SS..  trans-84.2104.3175-169.7179.6-179.1-170.70109.1Q370 F372 Y405Q370-K403 HydrophobicContact CB-CB 4.32Å; Q370-K403 WeakPolarHBondContact O-CB 3.34Å; Q370-K403 PolarHBondContact O-N 3.03Å; F372-K403 HydrophobicContact CD1-CB 4.36Å; K403-Y405 HydrophobicContact CD-CE2 4.15Å; K403-Y405 WeakPolarHBondContact CE-OH 3.04Å; K403-Y405 HydrophobicContact CG-CE2 4.34Å; K403-Y405 PolarHBondContact NZ-OH 2.93Å
404K76.4Confident67.5Low179 Ų179100.3 Ų100.378%0.77852%0.518SS*.  trans-81.4118.9174.7-62.6-173.2178.3-174.30109.8E402E402-K404 PolarHBondContact O-N 3.47Å
405Y59.8Low66Low143 Ų143106.9 Ų106.956%0.56155%0.553SS**  trans-84.1126.5169.4-71.6-83.8000109.2Q370 K403Q370-Y405 PolarHBondContact OE1-OH 3.01Å; K403-Y405 HydrophobicContact CD-CE2 4.15Å; K403-Y405 WeakPolarHBondContact CE-OH 3.04Å; K403-Y405 HydrophobicContact CG-CE2 4.34Å; K403-Y405 PolarHBondContact NZ-OH 2.93Å
406T47.1Very low65Low137 Ų137108.5 Ų108.584%0.8456%0.562SS**SBendtrans-85-8.9-17439.70000114.6
407N42.4Very low64.6Low155 Ų155103.6 Ų103.683%0.82955%0.552SS**SBendtrans-130.9122.6-179.3-81-6.8000111.6
408G40.8Very low64.4Low67 Ų67101.1 Ų101.169%0.69154%0.544SS*.  trans134.8100.3164.400000113.5
409T37.5Very low64.1Low135 Ų135102.2 Ų102.283%0.82855%0.551SS**  trans30.5120.2146.312.90000118.5G411T409-G411 PolarHBondContact O-N 3.49Å
410K48.2Very low63.9Low223 Ų223100.2 Ų100.297%0.9754%0.541SS*.SBendtrans-47.2100153.6-72.8179.9175.2-179.40108.5
411G41.1Very low63.7Low58 Ų58100.8 Ų100.860%0.59854%0.544SS*.  trans-17570-16600000112.2T409T409-G411 PolarHBondContact O-N 3.49Å
412N39.2Very low63.8Low156 Ų15695.4 Ų95.483%0.83452%0.521SS*.  trans139.492.5155.7-77.5-9.8000108.2G414N412-G414 PolarHBondContact O-N 3.11Å; N412-G414 VanDerWaalsContact O-N 3.12Å
413E44Very low63.9Low198 Ų19892.4 Ų92.493%0.92551%0.507SS*.  trans-51119.8151.4-70.8-179159.500106L415E413-L415 PolarHBondContact O-N 3.08Å
414G52.9Low64.3Low32 Ų3287.6 Ų87.633%0.3349%0.486SS..  trans-52.1142.9176.900000109.6N412 L416N412-G414 PolarHBondContact O-N 3.11Å; N412-G414 VanDerWaalsContact O-N 3.12Å; G414-L416 PolarHBondContact O-N 3.49Å
415L60Low65.1Low170 Ų17079.1 Ų79.189%0.8945%0.449SS*.SBendtrans-57.2-22.1178.3-171.669.8000112.3E413E413-L415 PolarHBondContact O-N 3.08Å
416L69.8Low66.6Low39 Ų3972.3 Ų72.320%0.20442%0.422CS..SBendtrans-113.5147.7-178.3-60.9177.5000111G414 E420 E421 F479G414-L416 PolarHBondContact O-N 3.49Å; L416-E420 HydrophobicContact CB-CB 4.19Å; L416-E421 HydrophobicContact CB-CG 4.28Å; L416-F479 HydrophobicContact CD1-CB 4.31Å; L416-F479 HydrophobicContact CD2-CB 3.99Å; L416-F479 WeakPolarHBondContact CD2-O 3.49Å
417S79.4Confident68.8Low52 Ų5265.8 Ų65.836%0.36438%0.382SS..  trans-70.2158.8173.7660000111.6T419 E420 E421S417-T419 PolarHBondContact O-N 3.4Å; S417-T419 PolarHBondContact OG-OG1 3.41Å; S417-E420 WeakPolarHBondContact CB-OE2 3.5Å; S417-E420 PolarHBondContact N-OE2 2.96Å; S417-E420 PolarHBondContact O-N 3.18Å; S417-E420 WeakPolarHBondContact OG-CG 3.26Å; S417-E420 PolarHBondContact OG-OE2 3.45Å; S417-E421 PolarHBondContact O-N 3.43Å
418V81.6Confident71.3Confident53 Ų5360.7 Ų60.732%0.32135%0.353SS..THydrogen-bonded Turntrans-51.5-33.9179.5162.30000113.4R369 E420 Q455R369-V418 VanDerWaalsContact NH1-CG1 3.32Å; R369-V418 PolarHBondContact NH2-O 3.16Å; V418-E420 VanDerWaalsContact C-N 3.35Å; V418-Q455 VanDerWaalsContact CG1-NE2 3.3Å
419T85.2Confident73.7Confident25 Ų2558 Ų5815%0.15333%0.325CS..THydrogen-bonded Turntrans-82.4-12.6-179.147.30000113.7S417 V448 Q455 S462S417-T419 PolarHBondContact O-N 3.4Å; S417-T419 PolarHBondContact OG-OG1 3.41Å; T419-V448 WeakPolarHBondContact O-CG1 3.07Å; T419-V448 WeakPolarHBondContact O-CG2 3.28Å; T419-Q455 HydrophobicContact CG2-CB 4.06Å; T419-S462 VanDerWaalsContact O-CB 3.24Å; T419-S462 WeakPolarHBondContact O-CB 3.44Å; T419-S462 PolarHBondContact O-OG 2.91Å
420E87.1Confident76.2Confident4 Ų454.6 Ų54.62%0.01931%0.306CS..THydrogen-bonded Turntrans-101.9-10.5-179.9-66.9172.1136.900113L416 S417 V418 L422 F479 W532 K537L416-E420 HydrophobicContact CB-CB 4.19Å; S417-E420 WeakPolarHBondContact CB-OE2 3.5Å; S417-E420 PolarHBondContact N-OE2 2.96Å; S417-E420 PolarHBondContact O-N 3.18Å; S417-E420 WeakPolarHBondContact OG-CG 3.26Å; S417-E420 PolarHBondContact OG-OE2 3.45Å; V418-E420 VanDerWaalsContact C-N 3.35Å; E420-L422 PolarHBondContact O-N 2.98Å; E420-F479 HydrophobicContact CB-CB 3.94Å; E420-F479 HydrophobicContact CB-CD2 4.08Å; E420-F479 HydrophobicContact CB-CG 3.91Å; E420-F479 HydrophobicContact CG-CB 4.38Å; E420-F479 HydrophobicContact CG-CD1 4.23Å; E420-F479 HydrophobicContact CG-CG 4.12Å; E420-F479 VanDerWaalsContact O-CD2 3.24Å; E420-F479 WeakPolarHBondContact O-CD2 3.48Å; E420-W532 HydrophobicContact CG-CZ2 4.18Å; E420-W532 PolarHBondContact OE1-NE1 3.49Å; E420-K537 WeakPolarHBondContact OE1-CE 3.19Å; E420-K537 IonicContact OE1-NZ 3.82Å; E420-K537 PolarHBondContact OE1-NZ 2.72Å; E420-K537 IonicContact OE2-NZ 3.65Å; E420-K537 PolarHBondContact OE2-NZ 3.42Å
421E87.4Confident78.1Confident12 Ų1244 Ų446%0.05626%0.26CS..  trans-74114172.9-69.7-173.3151.900109.9S368 R369 L416 S417 H423S368-E421 WeakPolarHBondContact CB-OE1 3.17Å; S368-E421 PolarHBondContact OG-OE1 2.95Å; R369-E421 IonicContact CZ-OE2 3.35Å; R369-E421 IonicContact NE-OE2 3.68Å; R369-E421 PolarHBondContact NE-OE2 3.24Å; R369-E421 IonicContact NH2-OE2 3.75Å; R369-E421 PolarHBondContact NH2-OE2 2.78Å; L416-E421 HydrophobicContact CB-CG 4.28Å; S417-E421 PolarHBondContact O-N 3.43Å; E421-H423 PolarHBondContact O-CD2 3.46Å
422L89.9Confident80.2Confident2 Ų245.1 Ų45.11%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-94.5138-179.9-65.9179.1000110.8E420 P446 V448 Y466 L476 F478 F479E420-L422 PolarHBondContact O-N 2.98Å; L422-P446 HydrophobicContact CB-CB 4.08Å; L422-P446 HydrophobicContact CD1-CB 4.05Å; L422-P446 HydrophobicContact CD2-CB 4.16Å; L422-P446 HydrophobicContact CG-CB 4.33Å; L422-V448 HydrophobicContact CD2-CG2 3.92Å; L422-Y466 HydrophobicContact CD1-CD2 3.48Å; L422-Y466 VanDerWaalsContact CD1-CD2 3.48Å; L422-Y466 HydrophobicContact CD1-CE2 3.75Å; L422-Y466 HydrophobicContact CD1-CG 4.32Å; L422-L476 HydrophobicContact CB-CB 4.44Å; L422-L476 HydrophobicContact CB-CD2 3.97Å; L422-F478 HydrophobicContact CD1-CB 4.08Å; L422-F479 HydrophobicContact CD1-CD2 4.05Å; L422-F479 HydrophobicContact CD1-CE2 3.98Å; L422-F479 HydrophobicContact CD2-CE2 4.09Å; L422-F479 HydrophobicContact CG-CD2 4.1Å; L422-F479 HydrophobicContact CG-CE2 4.08Å
423H89.9Confident82.2Confident0 Ų038.3 Ų38.30%022%0.219CC..EExtended strand (participates in β ladder)trans-125.4165.3178.4-61.3-89000110.4F358 D359 V367 R369 F371 E421 P446 L447 V449F358-H423 HydrophobicContact CE1-CB 3.7Å; F358-H423 AromaticContact CE1-CG 3.87Å; F358-H423 AromaticContact CE1-ND1 3.71Å; F358-H423 HydrophobicContact CE2-CB 4.36Å; F358-H423 HydrophobicContact CZ-CB 3.4Å; F358-H423 AromaticContact CZ-CG 3.89Å; D359-H423 WeakPolarHBondContact OD1-CA 3.31Å; D359-H423 WeakPolarHBondContact OD1-CB 3.27Å; D359-H423 IonicContact OD1-CG 3.72Å; D359-H423 IonicContact OD1-ND1 3.21Å; D359-H423 IonicContact OD2-CE1 2.98Å; D359-H423 IonicContact OD2-CG 2.96Å; D359-H423 IonicContact OD2-ND1 2.65Å; D359-H423 PolarHBondContact OD2-ND1 2.94Å; V367-H423 WeakPolarHBondContact CG1-CE1 3.3Å; R369-H423 PolarHBondContact O-CE1 2.85Å; F371-H423 AromaticContact CD2-CE1 3.68Å; F371-H423 AromaticContact CD2-ND1 3.96Å; F371-H423 AromaticContact CE2-CE1 3.43Å; F371-H423 VanDerWaalsContact CE2-CE1 3.43Å; F371-H423 WeakPolarHBondContact CE2-CE1 3.42Å; F371-H423 AromaticContact CE2-NE2 3.55Å; E421-H423 PolarHBondContact O-CD2 3.46Å; H423-P446 CarbonylContact O-C 3.59Å; H423-P446 VanDerWaalsContact O-CA 3.31Å; H423-P446 WeakPolarHBondContact O-CA 3.27Å; H423-L447 HydrophobicContact CB-CD1 4.05Å; H423-L447 HydrophobicContact CB-CG 4.41Å; H423-L447 PolarHBondContact N-O 2.99Å; H423-L447 PolarHBondContact O-N 3.37Å; H423-V449 HydrophobicContact CB-CG2 4.37Å
424S91.1Very high83.7Confident0 Ų032.1 Ų32.10%019%0.19CC..  trans-137.3144.2176.962.40000112.6D359D359-S424 PolarHBondContact N-O 2.85Å; D359-S424 PolarHBondContact OD1-N 3.22Å
425L91.9Very high84.8Confident0 Ų034.5 Ų34.50%022%0.215CC..EExtended strand (participates in β ladder)trans-100.1115.3173.3-166.570.5000108.8P317 F335 T337 T356 F358 I373 L398 F427 C443 S444 L447P317-L425 HydrophobicContact CG-CD2 4.07Å; F335-L425 HydrophobicContact CE2-CD2 4.15Å; T337-L425 HydrophobicContact CG2-CD2 3.87Å; T356-L425 HydrophobicContact CG2-CD1 3.37Å; T356-L425 HydrophobicContact CG2-CD2 3.9Å; T356-L425 HydrophobicContact CG2-CG 3.54Å; F358-L425 HydrophobicContact CD2-CD1 3.79Å; I373-L425 HydrophobicContact CD1-CD1 3.92Å; L398-L425 HydrophobicContact CD1-CD2 4.36Å; L425-F427 HydrophobicContact CB-CE2 4.47Å; L425-F427 HydrophobicContact CD2-CE1 4Å; L425-F427 HydrophobicContact CD2-CE2 4.17Å; L425-F427 HydrophobicContact CD2-CZ 3.47Å; L425-F427 VanDerWaalsContact CD2-CZ 3.47Å; L425-F427 HydrophobicContact CG-CE1 4.36Å; L425-F427 HydrophobicContact CG-CE2 4.23Å; L425-F427 HydrophobicContact CG-CZ 3.91Å; L425-C443 CarbonylContact O-C 3.56Å; L425-C443 VanDerWaalsContact O-CA 3.25Å; L425-C443 WeakPolarHBondContact O-CA 3.47Å; L425-S444 PolarHBondContact N-OG 2.77Å; L425-S444 VanDerWaalsContact N-OG 3.1Å; L425-S444 PolarHBondContact O-N 3.01Å; L425-L447 HydrophobicContact CB-CD2 4.46Å
426S92.4Very high86Confident0 Ų027.9 Ų27.90%018%0.18CC..EExtended strand (participates in β ladder)trans-95.6142.9177.6-69.70000110.8T356 T357 R474T356-S426 CarbonylContact C-O 3.54Å; T356-S426 WeakPolarHBondContact CA-O 3.38Å; T357-S426 PolarHBondContact N-O 3.05Å; T357-S426 PolarHBondContact O-N 3.22Å; T357-S426 WeakPolarHBondContact OG1-CB 3.47Å; S426-R474 PolarHBondContact OG-NH2 3.34Å
427F93.8Very high86.8Confident0 Ų029.2 Ų29.20%020%0.197CC..EExtended strand (participates in β ladder)trans-123.2130.5176-54.5-89.3000109F311 V313 T337 V339 V354 K355 T356 F395 L425 E441 T442F311-F427 HydrophobicContact CE1-CB 4.01Å; F311-F427 HydrophobicContact CZ-CB 4.05Å; V313-F427 HydrophobicContact CG2-CD2 3.99Å; V313-F427 HydrophobicContact CG2-CE2 3.7Å; T337-F427 HydrophobicContact CG2-CE1 3.86Å; T337-F427 HydrophobicContact CG2-CZ 3.65Å; V339-F427 HydrophobicContact CG2-CB 4.41Å; V339-F427 HydrophobicContact CG2-CD1 3.53Å; V339-F427 HydrophobicContact CG2-CD2 3.86Å; V339-F427 HydrophobicContact CG2-CE1 3.53Å; V339-F427 HydrophobicContact CG2-CE2 3.86Å; V339-F427 HydrophobicContact CG2-CG 3.68Å; V339-F427 HydrophobicContact CG2-CZ 3.67Å; V354-F427 HydrophobicContact CG1-CB 4.09Å; V354-F427 HydrophobicContact CG1-CD1 4.32Å; K355-F427 CarbonylContact O-C 3.53Å; K355-F427 WeakPolarHBondContact O-CA 3.44Å; T356-F427 HydrophobicContact CG2-CD1 4.01Å; T356-F427 HydrophobicContact CG2-CE1 3.82Å; T356-F427 WeakPolarHBondContact OG1-CD1 3.32Å; F395-F427 HydrophobicContact CD2-CD1 4.48Å; F395-F427 HydrophobicContact CD2-CE1 4.01Å; F395-F427 AromaticContact CE2-CD1 3.99Å; F395-F427 HydrophobicContact CE2-CD1 3.99Å; F395-F427 AromaticContact CE2-CE1 3.99Å; F395-F427 HydrophobicContact CE2-CE1 3.99Å; L425-F427 HydrophobicContact CB-CE2 4.47Å; L425-F427 HydrophobicContact CD2-CE1 4Å; L425-F427 HydrophobicContact CD2-CE2 4.17Å; L425-F427 HydrophobicContact CD2-CZ 3.47Å; L425-F427 VanDerWaalsContact CD2-CZ 3.47Å; L425-F427 HydrophobicContact CG-CE1 4.36Å; L425-F427 HydrophobicContact CG-CE2 4.23Å; L425-F427 HydrophobicContact CG-CZ 3.91Å; F427-E441 VanDerWaalsContact O-CA 3.32Å; F427-E441 WeakPolarHBondContact O-CA 3.3Å; F427-T442 HydrophobicContact CB-CG2 4.08Å; F427-T442 HydrophobicContact CD2-CG2 4.07Å; F427-T442 HydrophobicContact CG-CG2 4.5Å; F427-T442 PolarHBondContact N-O 2.68Å; F427-T442 PolarHBondContact O-N 3.38Å
428E94Very high87.4Confident48 Ų4826.8 Ų26.822%0.22418%0.179CC..EExtended strand (participates in β ladder)trans-123.6136.2-176.7-56176.8120.100109.1V354 K355 K360 L440V354-E428 CarbonylContact C-O 3.15Å; V354-E428 WeakPolarHBondContact CA-O 3.34Å; K355-E428 PolarHBondContact N-O 3.44Å; K355-E428 IonicContact NZ-OE2 3.78Å; K355-E428 PolarHBondContact O-N 2.94Å; K360-E428 WeakPolarHBondContact CD-OE1 3.33Å; K360-E428 WeakPolarHBondContact CE-OE1 3.47Å; K360-E428 IonicContact NZ-OE1 3.67Å; K360-E428 PolarHBondContact NZ-OE1 3.24Å; E428-L440 CarbonylContact C-O 3.56Å; E428-L440 WeakPolarHBondContact CA-O 3.44Å
429A92.2Very high87.9Confident11 Ų1129.7 Ų29.79%0.09119%0.193CC..EExtended strand (participates in β ladder)trans-147.9158.3172.200000110F311 L352 V354 L440F311-A429 HydrophobicContact CZ-CB 4.33Å; L352-A429 HydrophobicContact CD2-CB 4.34Å; V354-A429 HydrophobicContact CG2-CB 4.07Å; A429-L440 HydrophobicContact CB-CB 4.18Å; A429-L440 HydrophobicContact CB-CD1 4.4Å; A429-L440 PolarHBondContact N-O 2.96Å; A429-L440 WeakPolarHBondContact O-CB 3.47Å; A429-L440 PolarHBondContact O-N 3.21Å
430C89.8Confident88.2Confident64 Ų6428.7 Ų28.743%0.43219%0.187SC..EExtended strand (participates in β ladder)trans-116.8114.6174.7-1700000109.1L352L352-C430 WeakPolarHBondContact CD2-O 3.28Å
431F87.1Confident88.5Confident1 Ų132.2 Ų32.20%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-92.1123.7178.6175.9-84.9000109.7F265 I307 L341 L345 V348 L352 V433 A437 V438 L440F265-F431 HydrophobicContact CZ-CE1 4.4Å; F265-F431 HydrophobicContact CZ-CZ 4.45Å; I307-F431 HydrophobicContact CD1-CE1 4.26Å; I307-F431 HydrophobicContact CD1-CE2 4.23Å; I307-F431 HydrophobicContact CD1-CZ 3.89Å; I307-F431 HydrophobicContact CG1-CE1 4.31Å; I307-F431 HydrophobicContact CG1-CZ 4.43Å; I307-F431 HydrophobicContact CG2-CB 4.28Å; I307-F431 HydrophobicContact CG2-CD1 3.89Å; I307-F431 HydrophobicContact CG2-CD2 4.13Å; I307-F431 HydrophobicContact CG2-CE1 4.22Å; I307-F431 HydrophobicContact CG2-CE2 4.43Å; I307-F431 HydrophobicContact CG2-CG 3.85Å; I307-F431 HydrophobicContact CG2-CZ 4.48Å; L341-F431 HydrophobicContact CD2-CD2 4.37Å; L341-F431 HydrophobicContact CD2-CE2 4.4Å; L345-F431 HydrophobicContact CD1-CE2 4.44Å; L345-F431 HydrophobicContact CD1-CZ 3.99Å; V348-F431 HydrophobicContact CB-CE2 4.47Å; V348-F431 HydrophobicContact CG1-CD2 4.04Å; V348-F431 HydrophobicContact CG1-CE2 3.92Å; V348-F431 HydrophobicContact CG2-CE2 3.7Å; V348-F431 HydrophobicContact CG2-CZ 4.15Å; L352-F431 HydrophobicContact CD1-CD2 4.34Å; L352-F431 HydrophobicContact CD2-CB 4Å; L352-F431 HydrophobicContact CD2-CD2 4.3Å; F431-V433 HydrophobicContact CD1-CG2 4.38Å; F431-V433 HydrophobicContact CE1-CB 3.71Å; F431-V433 HydrophobicContact CE1-CG2 3.61Å; F431-V433 HydrophobicContact CE2-CG2 3.92Å; F431-V433 HydrophobicContact CZ-CB 3.84Å; F431-V433 HydrophobicContact CZ-CG2 3.34Å; F431-A437 CarbonylContact O-C 3.41Å; F431-A437 WeakPolarHBondContact O-CA 3.36Å; F431-V438 HydrophobicContact CB-CB 4.27Å; F431-V438 HydrophobicContact CD1-CB 4.37Å; F431-V438 HydrophobicContact CD1-CG2 4.3Å; F431-V438 PolarHBondContact N-O 3.43Å; F431-V438 PolarHBondContact O-N 3.28Å; F431-L440 HydrophobicContact CB-CD1 3.94Å; F431-L440 HydrophobicContact CB-CG 4.19Å
432T84.9Confident88.7Confident80 Ų8032.6 Ų32.649%0.49121%0.207SC..EExtended strand (participates in β ladder)trans-129.8108.2179.7-53.90000110.9L436T432-L436 VanDerWaalsContact CA-O 3.31Å; T432-L436 WeakPolarHBondContact CA-O 3.46Å
433V81.8Confident88.9Confident14 Ų1433.9 Ų33.99%0.08522%0.215CC..EExtended strand (participates in β ladder)trans-141.8134.5177.5176.10000110.3F265 V348 F431 G435 L436F265-V433 HydrophobicContact CE1-CG1 4.15Å; F265-V433 HydrophobicContact CZ-CG1 4.33Å; V348-V433 HydrophobicContact CG2-CG2 3.44Å; V348-V433 VanDerWaalsContact CG2-CG2 3.44Å; F431-V433 HydrophobicContact CD1-CG2 4.38Å; F431-V433 HydrophobicContact CE1-CB 3.71Å; F431-V433 HydrophobicContact CE1-CG2 3.61Å; F431-V433 HydrophobicContact CE2-CG2 3.92Å; F431-V433 HydrophobicContact CZ-CB 3.84Å; F431-V433 HydrophobicContact CZ-CG2 3.34Å; V433-G435 PolarHBondContact O-N 2.98Å; V433-L436 PolarHBondContact N-O 2.9Å; V433-L436 WeakPolarHBondContact O-CB 3.38Å; V433-L436 PolarHBondContact O-N 3.4Å
434Q75.9Confident89Confident68 Ų6833.9 Ų33.932%0.31822%0.216SC..THydrogen-bonded Turntrans51.238.5177.1-65.7177.123.200114.1L436Q434-L436 PolarHBondContact O-N 3.09Å
435G76.4Confident89.1Confident82 Ų8234.3 Ų34.385%0.84522%0.218SC*.THydrogen-bonded Turntrans76.63.1-17900000115V433V433-G435 PolarHBondContact O-N 2.98Å
436L83.4Confident89.1Confident31 Ų3134.4 Ų34.416%0.16222%0.218CC..EExtended strand (participates in β ladder)trans-93.9118.2172.2-168.277.9000109.5I303 T432 V433 Q434 V438I303-L436 HydrophobicContact CB-CD2 4.1Å; I303-L436 HydrophobicContact CG2-CD2 3.41Å; I303-L436 VanDerWaalsContact CG2-CD2 3.41Å; T432-L436 VanDerWaalsContact CA-O 3.31Å; T432-L436 WeakPolarHBondContact CA-O 3.46Å; V433-L436 PolarHBondContact N-O 2.9Å; V433-L436 WeakPolarHBondContact O-CB 3.38Å; V433-L436 PolarHBondContact O-N 3.4Å; Q434-L436 PolarHBondContact O-N 3.09Å; L436-V438 HydrophobicContact CD2-CG2 3.71Å; L436-V438 HydrophobicContact CG-CG2 3.87Å
437A88.3Confident89.1Confident67 Ų6734.4 Ų34.455%0.55422%0.218SC*.EExtended strand (participates in β ladder)trans-101124.7170.500000109.5F431F431-A437 CarbonylContact O-C 3.41Å; F431-A437 WeakPolarHBondContact O-CA 3.36Å
438V90.6Very high89.1Confident0 Ų034.4 Ų34.40%022%0.218CC..EExtended strand (participates in β ladder)trans-127.9119-179.4-175.50000109.1Y304 I307 F431 L436 L440Y304-V438 HydrophobicContact CD2-CB 4.32Å; Y304-V438 HydrophobicContact CD2-CG1 3.77Å; Y304-V438 HydrophobicContact CD2-CG2 3.93Å; Y304-V438 HydrophobicContact CE2-CG1 3.8Å; I307-V438 HydrophobicContact CG2-CB 4.38Å; I307-V438 HydrophobicContact CG2-CG1 4.23Å; F431-V438 HydrophobicContact CB-CB 4.27Å; F431-V438 HydrophobicContact CD1-CB 4.37Å; F431-V438 HydrophobicContact CD1-CG2 4.3Å; F431-V438 PolarHBondContact N-O 3.43Å; F431-V438 PolarHBondContact O-N 3.28Å; L436-V438 HydrophobicContact CD2-CG2 3.71Å; L436-V438 HydrophobicContact CG-CG2 3.87Å; V438-L440 HydrophobicContact CG1-CD2 4.2Å; V438-L440 PolarHBondContact O-N 3.36Å
439D91.9Very high89Confident115 Ų11532.1 Ų32.162%0.61521%0.208SC*.EExtended strand (participates in β ladder)trans-78.1117.4171.2-62.6-36.5000109.7
440L93Very high89.1Confident4 Ų431.7 Ų31.72%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-95.8128.3178.5-64.5179.5000109.3I307 F311 L341 L352 E428 A429 F431 V438I307-L440 HydrophobicContact CG2-CD2 3.84Å; F311-L440 HydrophobicContact CB-CB 4.39Å; F311-L440 HydrophobicContact CB-CD1 4.39Å; F311-L440 HydrophobicContact CB-CD2 4.15Å; F311-L440 HydrophobicContact CD1-CB 3.8Å; F311-L440 HydrophobicContact CD2-CD1 4.31Å; F311-L440 HydrophobicContact CE1-CB 4.19Å; F311-L440 HydrophobicContact CG-CB 4.08Å; F311-L440 HydrophobicContact CG-CD1 4.28Å; L341-L440 HydrophobicContact CD1-CD1 3.99Å; L352-L440 HydrophobicContact CD2-CD1 4.38Å; E428-L440 CarbonylContact C-O 3.56Å; E428-L440 WeakPolarHBondContact CA-O 3.44Å; A429-L440 HydrophobicContact CB-CB 4.18Å; A429-L440 HydrophobicContact CB-CD1 4.4Å; A429-L440 PolarHBondContact N-O 2.96Å; A429-L440 WeakPolarHBondContact O-CB 3.47Å; A429-L440 PolarHBondContact O-N 3.21Å; F431-L440 HydrophobicContact CB-CD1 3.94Å; F431-L440 HydrophobicContact CB-CG 4.19Å; V438-L440 HydrophobicContact CG1-CD2 4.2Å; V438-L440 PolarHBondContact O-N 3.36Å
441E92.8Very high89.1Confident78 Ų7831.2 Ų31.236%0.36420%0.201SC..EExtended strand (participates in β ladder)trans-138.6133.1172.9-178.3168.4-16500110K360 F427K360-E441 IonicContact NZ-OE1 3.55Å; K360-E441 PolarHBondContact NZ-OE1 3.11Å; K360-E441 IonicContact NZ-OE2 3.93Å; K360-E441 PolarHBondContact NZ-OE2 3.24Å; K360-E441 VanDerWaalsContact NZ-OE2 3.16Å; F427-E441 VanDerWaalsContact O-CA 3.32Å; F427-E441 WeakPolarHBondContact O-CA 3.3Å
442T92.5Very high89.2Confident20 Ų2035.5 Ų35.512%0.12322%0.224CC..EExtended strand (participates in β ladder)trans-146157.7173.5-156.80000109.4F311 V313 V339 F427F311-T442 HydrophobicContact CD1-CG2 3.49Å; F311-T442 VanDerWaalsContact CD1-CG2 3.49Å; F311-T442 HydrophobicContact CE1-CG2 3.51Å; F311-T442 HydrophobicContact CG-CG2 4.2Å; F311-T442 HydrophobicContact CZ-CG2 4.22Å; F311-T442 VanDerWaalsContact O-CB 3.32Å; F311-T442 WeakPolarHBondContact O-CB 3.23Å; F311-T442 PolarHBondContact O-OG1 3.25Å; V313-T442 HydrophobicContact CG2-CG2 4.02Å; V339-T442 HydrophobicContact CG1-CG2 4.2Å; F427-T442 HydrophobicContact CB-CG2 4.08Å; F427-T442 HydrophobicContact CD2-CG2 4.07Å; F427-T442 HydrophobicContact CG-CG2 4.5Å; F427-T442 PolarHBondContact N-O 2.68Å; F427-T442 PolarHBondContact O-N 3.38Å
443C92.1Very high89.4Confident28 Ų2834.6 Ų34.619%0.18922%0.218CC..EExtended strand (participates in β ladder)trans-128.9152.9179.2670000111.5L425L425-C443 CarbonylContact O-C 3.56Å; L425-C443 VanDerWaalsContact O-CA 3.25Å; L425-C443 WeakPolarHBondContact O-CA 3.47Å
444S93Very high89.7Confident1 Ų138 Ų381%0.00724%0.243CC..PPolyproline II helixtrans-63.5165.4167.271.60000110.9L425L425-S444 PolarHBondContact N-OG 2.77Å; L425-S444 VanDerWaalsContact N-OG 3.1Å; L425-S444 PolarHBondContact O-N 3.01Å
445L92.8Very high90.4Very high9 Ų937.1 Ų37.15%0.04724%0.239CC..PPolyproline II helixtrans-61.2155.4161.6-63.5169.2000109.6Q238 Q316 L327 L447Q238-L445 HydrophobicContact CB-CD1 4.3Å; Q238-L445 HydrophobicContact CG-CD1 3.58Å; Q238-L445 HydrophobicContact CG-CD2 3.48Å; Q238-L445 VanDerWaalsContact CG-CD2 3.48Å; Q238-L445 HydrophobicContact CG-CG 4.17Å; Q238-L445 VanDerWaalsContact NE2-CD2 3.31Å; Q316-L445 HydrophobicContact CG-CD1 4.04Å; L327-L445 HydrophobicContact CD1-CB 3.8Å; L327-L445 HydrophobicContact CD1-CD1 4.05Å; L327-L445 HydrophobicContact CD2-CB 3.89Å; L445-L447 PolarHBondContact O-N 3.24Å
446P91.6Very high91.2Very high1 Ų134 Ų341%0.00620%0.203CC..PPolyproline II helixtrans-59.6133.8177.1-29.842.5000111.2L422 H423 Y466 P473 L476L422-P446 HydrophobicContact CB-CB 4.08Å; L422-P446 HydrophobicContact CD1-CB 4.05Å; L422-P446 HydrophobicContact CD2-CB 4.16Å; L422-P446 HydrophobicContact CG-CB 4.33Å; H423-P446 CarbonylContact O-C 3.59Å; H423-P446 VanDerWaalsContact O-CA 3.31Å; H423-P446 WeakPolarHBondContact O-CA 3.27Å; P446-Y466 HydrophobicContact CB-CE1 4.24Å; P446-Y466 HydrophobicContact CB-CE2 4.37Å; P446-Y466 VanDerWaalsContact CD-CE1 3.46Å; P446-Y466 HydrophobicContact CG-CD1 4.36Å; P446-Y466 HydrophobicContact CG-CE1 3.62Å; P446-Y466 HydrophobicContact CG-CE2 4.03Å; P446-Y466 VanDerWaalsContact CG-CZ 3.43Å; P446-Y466 WeakPolarHBondContact CG-OH 3.35Å; P446-P473 WeakPolarHBondContact CD-O 3.45Å; P446-L476 HydrophobicContact CB-CD2 4.08Å; P446-L476 HydrophobicContact CG-CD2 4.19Å
447L92.9Very high91.5Very high1 Ų133.5 Ų33.51%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-122.5155.2-174.668.683.7000110.5P317 L327 I329 F358 H423 L425 L445 V449P317-L447 HydrophobicContact CB-CD2 4.1Å; P317-L447 HydrophobicContact CG-CD2 3.99Å; L327-L447 HydrophobicContact CB-CB 4.19Å; L327-L447 HydrophobicContact CD2-CB 4.37Å; L327-L447 CarbonylContact O-C 3.51Å; L327-L447 WeakPolarHBondContact O-CA 3.44Å; L327-L447 WeakPolarHBondContact O-CB 3.38Å; I329-L447 HydrophobicContact CG1-CD1 4.04Å; I329-L447 HydrophobicContact CG1-CD2 4.39Å; F358-L447 HydrophobicContact CE2-CD1 4.12Å; F358-L447 HydrophobicContact CE2-CD2 4.37Å; F358-L447 HydrophobicContact CZ-CD1 4.06Å; H423-L447 HydrophobicContact CB-CD1 4.05Å; H423-L447 HydrophobicContact CB-CG 4.41Å; H423-L447 PolarHBondContact N-O 2.99Å; H423-L447 PolarHBondContact O-N 3.37Å; L425-L447 HydrophobicContact CB-CD2 4.46Å; L445-L447 PolarHBondContact O-N 3.24Å; L447-V449 HydrophobicContact CD1-CG2 3.65Å
448V93.7Very high91.7Very high0 Ų031.2 Ų31.20%018%0.184CC..EExtended strand (participates in β ladder)trans-105131.9178.9178.70000109.7L327 I328 I329 T419 L422 I450 V463L327-V448 PolarHBondContact O-N 3.28Å; I328-V448 WeakPolarHBondContact CA-O 3.04Å; I329-V448 PolarHBondContact N-O 3.34Å; T419-V448 WeakPolarHBondContact O-CG1 3.07Å; T419-V448 WeakPolarHBondContact O-CG2 3.28Å; L422-V448 HydrophobicContact CD2-CG2 3.92Å; V448-I450 HydrophobicContact CG1-CG2 4.12Å; V448-V463 HydrophobicContact CG2-CG2 4.03Å
449V92.6Very high91.8Very high0 Ų031.2 Ų31.20%018%0.184CC..EExtended strand (participates in β ladder)trans-102.5115.7176.8-174.20000111I329 T331 F358 R369 F371 L400 H423 L447I329-V449 CarbonylContact O-C 3.57Å; I329-V449 WeakPolarHBondContact O-CA 3.43Å; T331-V449 HydrophobicContact CG2-CG1 3.68Å; F358-V449 HydrophobicContact CZ-CG2 3.78Å; R369-V449 PolarHBondContact NH1-O 3.25Å; F371-V449 HydrophobicContact CD1-CG1 3.97Å; F371-V449 HydrophobicContact CD2-CB 4.43Å; F371-V449 HydrophobicContact CD2-CG1 4.38Å; F371-V449 HydrophobicContact CD2-CG2 4.26Å; F371-V449 HydrophobicContact CE1-CB 4.37Å; F371-V449 HydrophobicContact CE1-CG1 3.55Å; F371-V449 HydrophobicContact CE2-CB 3.92Å; F371-V449 HydrophobicContact CE2-CG1 3.99Å; F371-V449 HydrophobicContact CE2-CG2 4.19Å; F371-V449 HydrophobicContact CG-CG1 4.37Å; F371-V449 HydrophobicContact CZ-CB 3.89Å; F371-V449 HydrophobicContact CZ-CG1 3.56Å; L400-V449 HydrophobicContact CD1-CG1 4.49Å; L400-V449 HydrophobicContact CD1-CG2 3.99Å; H423-V449 HydrophobicContact CB-CG2 4.37Å; L447-V449 HydrophobicContact CD1-CG2 3.65Å
450I93.3Very high92Very high1 Ų125.9 Ų25.91%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-106154.1-179.264.3173.9000111.9I328 I329 K330 T331 V448 Q455 L456I328-I450 HydrophobicContact CG2-CD1 3.72Å; I328-I450 HydrophobicContact CG2-CG1 3.97Å; I328-I450 HydrophobicContact CG2-CG2 3.94Å; I329-I450 PolarHBondContact O-N 3.43Å; K330-I450 CarbonylContact C-O 3.54Å; K330-I450 WeakPolarHBondContact CA-O 3.39Å; K330-I450 HydrophobicContact CB-CD1 4.21Å; K330-I450 HydrophobicContact CB-CG1 3.81Å; K330-I450 HydrophobicContact CG-CG1 4.24Å; T331-I450 PolarHBondContact N-O 2.97Å; V448-I450 HydrophobicContact CG1-CG2 4.12Å; I450-Q455 HydrophobicContact CB-CB 4.13Å; I450-Q455 HydrophobicContact CG2-CB 3.91Å; I450-L456 HydrophobicContact CD1-CB 4.31Å; I450-L456 HydrophobicContact CD1-CD1 3.96Å
451S90.2Very high92Very high55 Ų5525.7 Ų25.739%0.38516%0.155SC..SBendtrans-101.4-33.1173.7-62.50000112.1K330K330-S451 VanDerWaalsContact CE-O 3.31Å; K330-S451 WeakPolarHBondContact CE-O 3.31Å
452N89.8Confident92Very high90 Ų9022 Ų2248%0.48114%0.137SC..SBendtrans-126.7147.4-179.5-164.2-35.4000111S454 Q455N452-S454 PolarHBondContact O-N 2.95Å; N452-S454 PolarHBondContact OD1-N 3.43Å; N452-S454 VanDerWaalsContact OD1-N 3.11Å; N452-S454 PolarHBondContact OD1-OG 2.9Å; N452-Q455 WeakPolarHBondContact O-CB 3.46Å; N452-Q455 PolarHBondContact O-N 2.63Å
453V88.7Confident92.1Very high61 Ų6121.1 Ų21.137%0.3713%0.132SC..G310 helixtrans-62.2-25.2175.4-1750000111.6K330 Q455 L456K330-V453 HydrophobicContact CD-CG2 4.07Å; V453-Q455 PolarHBondContact O-N 3.27Å; V453-Q455 VanDerWaalsContact O-N 3.12Å; V453-L456 HydrophobicContact CG1-CD2 4.45Å; V453-L456 WeakPolarHBondContact O-CB 3.39Å; V453-L456 PolarHBondContact O-N 3.08Å
454S88.7Confident92.2Very high86 Ų8620 Ų2060%0.60112%0.124SC*.G310 helixtrans-59.5-20.8172.460.70000113.9N452 P457N452-S454 PolarHBondContact O-N 2.95Å; N452-S454 PolarHBondContact OD1-N 3.43Å; N452-S454 VanDerWaalsContact OD1-N 3.11Å; N452-S454 PolarHBondContact OD1-OG 2.9Å; S454-P457 WeakPolarHBondContact O-CD 3.13Å
455Q91Very high92.2Very high50 Ų5020 Ų2023%0.23412%0.124CC..G310 helixtrans-88.8-8.5178-55.6174.7-64.900112.6V418 T419 I450 N452 V453 P457 G458 G459V418-Q455 VanDerWaalsContact CG1-NE2 3.3Å; T419-Q455 HydrophobicContact CG2-CB 4.06Å; I450-Q455 HydrophobicContact CB-CB 4.13Å; I450-Q455 HydrophobicContact CG2-CB 3.91Å; N452-Q455 WeakPolarHBondContact O-CB 3.46Å; N452-Q455 PolarHBondContact O-N 2.63Å; V453-Q455 PolarHBondContact O-N 3.27Å; V453-Q455 VanDerWaalsContact O-N 3.12Å; Q455-P457 VanDerWaalsContact C-CD 3.47Å; Q455-G458 PolarHBondContact O-N 3.35Å; Q455-G459 PolarHBondContact O-N 3.36Å
456L91.7Very high92.2Very high17 Ų1719.7 Ų19.79%0.08912%0.122CC..Hα-helixtrans-56.1-42.1-178.5-169.976.6000112.9M319 K325 I328 I450 V453 W460M319-L456 HydrophobicContact CE-CD1 4.44Å; K325-L456 HydrophobicContact CD-CD1 4.3Å; K325-L456 HydrophobicContact CD-CD2 3.93Å; K325-L456 HydrophobicContact CD-CG 3.83Å; I328-L456 HydrophobicContact CB-CD1 4.32Å; I328-L456 HydrophobicContact CD1-CD1 3.89Å; I328-L456 HydrophobicContact CG2-CD1 3.95Å; I450-L456 HydrophobicContact CD1-CB 4.31Å; I450-L456 HydrophobicContact CD1-CD1 3.96Å; V453-L456 HydrophobicContact CG1-CD2 4.45Å; V453-L456 WeakPolarHBondContact O-CB 3.39Å; V453-L456 PolarHBondContact O-N 3.08Å; L456-W460 WeakPolarHBondContact O-CB 3.21Å; L456-W460 PolarHBondContact O-N 3.43Å
457P91.3Very high92.2Very high19 Ų1919.6 Ų19.612%0.12312%0.122CC..Hα-helixtrans-62.7-45.2176.6-2335.8000112.4S454 Q455 W460 A461 W548 M549 D552S454-P457 WeakPolarHBondContact O-CD 3.13Å; Q455-P457 VanDerWaalsContact C-CD 3.47Å; P457-W460 PolarHBondContact O-N 3.29Å; P457-A461 PolarHBondContact O-N 3.28Å; P457-W548 PolarHBondContact O-NE1 2.93Å; P457-M549 HydrophobicContact CB-CE 4.21Å; P457-M549 HydrophobicContact CB-SD 3.62Å; P457-M549 HydrophobicContact CG-CE 4.36Å; P457-M549 HydrophobicContact CG-SD 4.38Å; P457-D552 HydrophobicContact CB-CB 4.28Å; P457-D552 VanDerWaalsContact CB-OD2 3.31Å; P457-D552 WeakPolarHBondContact CB-OD2 3.43Å; P457-D552 VanDerWaalsContact CG-OD2 3.28Å; P457-D552 WeakPolarHBondContact CG-OD2 3.32Å
458G91.9Very high92.1Very high20 Ų2019.7 Ų19.721%0.20612%0.122CC..Hα-helixtrans-66.6-42.717900000112.9Q455 W460 A461 S462Q455-G458 PolarHBondContact O-N 3.35Å; G458-W460 VanDerWaalsContact C-N 3.3Å; G458-W460 PolarHBondContact O-N 2.76Å; G458-A461 WeakPolarHBondContact O-CB 3.46Å; G458-A461 PolarHBondContact O-N 3.02Å; G458-S462 PolarHBondContact O-N 3.09Å
459G93Very high91.9Very high0 Ų021.5 Ų21.50%013%0.131CC..Hα-helixtrans-63.1-36.8175.100000112.5Q455 S462 V463Q455-G459 PolarHBondContact O-N 3.36Å; G459-S462 PolarHBondContact O-N 2.89Å; G459-V463 WeakPolarHBondContact O-CG2 3.42Å; G459-V463 PolarHBondContact O-N 3.24Å
460W94.7Very high91.6Very high3 Ų322.3 Ų22.31%0.01114%0.137CC..Hα-helixtrans-67.8-38.4176-171.6-117.3000112.6A241 K325 P326 I328 L456 P457 G458 S462 V463 M464 W548A241-W460 WeakPolarHBondContact O-CH2 3.32Å; K325-W460 HydrophobicContact CB-CD2 4.21Å; K325-W460 HydrophobicContact CB-CE3 3.85Å; K325-W460 HydrophobicContact CB-CZ3 4.16Å; K325-W460 HydrophobicContact CD-CB 4.03Å; K325-W460 HydrophobicContact CD-CD2 4.14Å; K325-W460 HydrophobicContact CD-CG 3.89Å; K325-W460 HydrophobicContact CG-CD2 3.85Å; K325-W460 HydrophobicContact CG-CE3 4.03Å; K325-W460 HydrophobicContact CG-CG 4.15Å; P326-W460 HydrophobicContact CG-CH2 4.27Å; P326-W460 HydrophobicContact CG-CZ3 4.2Å; P326-W460 WeakPolarHBondContact O-CZ3 3.47Å; I328-W460 HydrophobicContact CD1-CB 3.68Å; I328-W460 HydrophobicContact CD1-CD2 4.49Å; I328-W460 HydrophobicContact CD1-CE3 3.95Å; I328-W460 HydrophobicContact CD1-CG 4.45Å; I328-W460 VanDerWaalsContact CD1-N 3.34Å; I328-W460 HydrophobicContact CG1-CE3 4.4Å; L456-W460 WeakPolarHBondContact O-CB 3.21Å; L456-W460 PolarHBondContact O-N 3.43Å; P457-W460 PolarHBondContact O-N 3.29Å; G458-W460 VanDerWaalsContact C-N 3.3Å; G458-W460 PolarHBondContact O-N 2.76Å; W460-S462 PolarHBondContact O-N 2.92Å; W460-V463 HydrophobicContact CE3-CB 4.07Å; W460-V463 HydrophobicContact CE3-CG1 3.99Å; W460-V463 HydrophobicContact CZ3-CB 4.37Å; W460-V463 HydrophobicContact CZ3-CG1 3.77Å; W460-V463 PolarHBondContact O-N 3.29Å; W460-M464 HydrophobicContact CD2-CG 4.29Å; W460-M464 HydrophobicContact CG-CE 4.49Å; W460-M464 HydrophobicContact CZ2-CG 4.19Å; W460-M464 PolarHBondContact NE1-SD 3.31Å; W460-M464 VanDerWaalsContact NE1-SD 3.42Å; W460-M464 WeakPolarHBondContact O-CG 3.37Å; W460-M464 PolarHBondContact O-N 3.14Å; W460-W548 AromaticContact CD1-CZ2 3.53Å
461A93.8Very high91Very high0 Ų027.2 Ų27.20%016%0.163CC..Hα-helixtrans-54.2-45.5171.700000111.4P457 G458 M464 W465 W532 F535 A536 W548P457-A461 PolarHBondContact O-N 3.28Å; G458-A461 WeakPolarHBondContact O-CB 3.46Å; G458-A461 PolarHBondContact O-N 3.02Å; A461-M464 PolarHBondContact O-N 3.31Å; A461-W465 WeakPolarHBondContact O-CB 3.41Å; A461-W465 PolarHBondContact O-N 3.5Å; A461-W532 HydrophobicContact CB-CH2 3.71Å; A461-W532 HydrophobicContact CB-CZ3 4.01Å; A461-W532 WeakPolarHBondContact O-CZ3 3.35Å; A461-F535 HydrophobicContact CB-CE1 4.21Å; A461-A536 HydrophobicContact CB-CB 4.3Å; A461-W548 VanDerWaalsContact CB-CD1 3.47Å; A461-W548 HydrophobicContact CB-CD2 4.46Å; A461-W548 HydrophobicContact CB-CG 3.91Å
462S93.4Very high90.3Very high0 Ų029.9 Ų29.90%017%0.169CC..Hα-helixtrans-66.9-42.5180-66.40000112.2T419 G458 G459 W460 W465 Y466 F479 W532T419-S462 VanDerWaalsContact O-CB 3.24Å; T419-S462 WeakPolarHBondContact O-CB 3.44Å; T419-S462 PolarHBondContact O-OG 2.91Å; G458-S462 PolarHBondContact O-N 3.09Å; G459-S462 PolarHBondContact O-N 2.89Å; W460-S462 PolarHBondContact O-N 2.92Å; S462-W465 PolarHBondContact O-N 3.12Å; S462-Y466 WeakPolarHBondContact O-CB 3.41Å; S462-Y466 PolarHBondContact O-N 3.08Å; S462-F479 VanDerWaalsContact CB-CZ 3.5Å; S462-F479 WeakPolarHBondContact O-CZ 3.38Å; S462-W532 WeakPolarHBondContact OG-CH2 3.44Å; S462-W532 WeakPolarHBondContact OG-CZ2 3.44Å
463V93.9Very high89.4Confident1 Ų128.9 Ų28.91%0.00617%0.168CC..Hα-helixtrans-60.9-45.5175170.80000111.3I242 L327 I328 V448 G459 W460 N467I242-V463 HydrophobicContact CG2-CG1 4.47Å; L327-V463 HydrophobicContact CB-CG1 3.94Å; L327-V463 HydrophobicContact CB-CG2 4Å; L327-V463 HydrophobicContact CD1-CG1 3.94Å; I328-V463 HydrophobicContact CG1-CG2 3.98Å; V448-V463 HydrophobicContact CG2-CG2 4.03Å; G459-V463 WeakPolarHBondContact O-CG2 3.42Å; G459-V463 PolarHBondContact O-N 3.24Å; W460-V463 HydrophobicContact CE3-CB 4.07Å; W460-V463 HydrophobicContact CE3-CG1 3.99Å; W460-V463 HydrophobicContact CZ3-CB 4.37Å; W460-V463 HydrophobicContact CZ3-CG1 3.77Å; W460-V463 PolarHBondContact O-N 3.29Å; V463-N467 PolarHBondContact O-N 3.25Å; V463-N467 VanDerWaalsContact O-N 3.09Å; V463-N467 PolarHBondContact O-ND2 3.09Å
464M93.6Very high88.7Confident5 Ų530.8 Ų30.83%0.02517%0.168CC..Hα-helixtrans-62.3-47.6177.2-71.1-175.3-59.200111.8I242 W460 A461 Y466 N467 L468 V493 Q497 F535 W548I242-M464 HydrophobicContact CB-CG 4.48Å; I242-M464 HydrophobicContact CG2-CG 4.39Å; W460-M464 HydrophobicContact CD2-CG 4.29Å; W460-M464 HydrophobicContact CG-CE 4.49Å; W460-M464 HydrophobicContact CZ2-CG 4.19Å; W460-M464 PolarHBondContact NE1-SD 3.31Å; W460-M464 VanDerWaalsContact NE1-SD 3.42Å; W460-M464 WeakPolarHBondContact O-CG 3.37Å; W460-M464 PolarHBondContact O-N 3.14Å; A461-M464 PolarHBondContact O-N 3.31Å; M464-Y466 VanDerWaalsContact C-N 3.34Å; M464-Y466 PolarHBondContact O-N 3.38Å; M464-N467 PolarHBondContact O-N 3.38Å; M464-L468 WeakPolarHBondContact O-CB 3.45Å; M464-L468 PolarHBondContact O-N 2.74Å; M464-V493 HydrophobicContact SD-CG1 4.22Å; M464-Q497 VanDerWaalsContact SD-CD 3.55Å; M464-Q497 HydrophobicContact SD-CG 3.9Å; M464-F535 HydrophobicContact CE-CE1 4.36Å; M464-F535 HydrophobicContact CE-CZ 4.22Å; M464-W548 HydrophobicContact CE-CD2 3.78Å; M464-W548 HydrophobicContact CE-CE3 3.73Å; M464-W548 HydrophobicContact CE-CH2 3.37Å; M464-W548 HydrophobicContact CE-CZ2 3.43Å; M464-W548 VanDerWaalsContact CE-CZ2 3.43Å; M464-W548 HydrophobicContact CE-CZ3 3.51Å; M464-W548 HydrophobicContact SD-CH2 3.9Å; M464-W548 HydrophobicContact SD-CZ2 4.36Å; M464-W548 HydrophobicContact SD-CZ3 4.18Å
465W93.6Very high88.4Confident2 Ų228.9 Ų28.91%0.00815%0.151CC..Hα-helixtrans-64.3-39.8-177.1-152.6-97.6000112.3A461 S462 L469 F478 F479 P483 A485 L490 V530 W532 F535A461-W465 WeakPolarHBondContact O-CB 3.41Å; A461-W465 PolarHBondContact O-N 3.5Å; S462-W465 PolarHBondContact O-N 3.12Å; W465-L469 HydrophobicContact CD2-CD1 4.23Å; W465-L469 HydrophobicContact CG-CD1 4.24Å; W465-L469 HydrophobicContact CZ2-CD1 4.2Å; W465-L469 VanDerWaalsContact NE1-CD1 3.26Å; W465-L469 PolarHBondContact O-N 2.9Å; W465-F478 AromaticContact CD1-CE1 3.84Å; W465-F479 HydrophobicContact CB-CE1 4.46Å; W465-F479 HydrophobicContact CB-CZ 4.46Å; W465-P483 PolarHBondContact NE1-O 3.29Å; W465-P483 VanDerWaalsContact NE1-O 3.11Å; W465-A485 HydrophobicContact CH2-CB 3.63Å; W465-A485 HydrophobicContact CZ2-CB 3.78Å; W465-A485 HydrophobicContact CZ3-CB 4.21Å; W465-L490 HydrophobicContact CH2-CD2 4.38Å; W465-L490 HydrophobicContact CZ3-CD1 3.95Å; W465-L490 HydrophobicContact CZ3-CD2 4.09Å; W465-V530 HydrophobicContact CH2-CB 4.23Å; W465-V530 HydrophobicContact CH2-CG1 4.04Å; W465-V530 WeakPolarHBondContact CZ2-O 3.24Å; W465-W532 HydrophobicContact CB-CE3 3.74Å; W465-W532 HydrophobicContact CB-CZ3 3.61Å; W465-W532 AromaticContact CD1-CE3 3.84Å; W465-W532 AromaticContact CD2-CE3 3.57Å; W465-W532 HydrophobicContact CD2-CE3 3.57Å; W465-W532 HydrophobicContact CD2-CZ3 4.17Å; W465-W532 HydrophobicContact CE3-CE3 4.03Å; W465-W532 HydrophobicContact CE3-CZ3 4.38Å; W465-W532 HydrophobicContact CG-CD2 4.35Å; W465-W532 AromaticContact CG-CE3 3.42Å; W465-W532 HydrophobicContact CG-CE3 3.42Å; W465-W532 VanDerWaalsContact CG-CE3 3.42Å; W465-W532 AromaticContact CG-CZ3 3.85Å; W465-W532 HydrophobicContact CG-CZ3 3.85Å; W465-W532 HydrophobicContact CZ2-CB 4.38Å; W465-F535 HydrophobicContact CE3-CB 4.44Å; W465-F535 AromaticContact CE3-CD1 3.65Å; W465-F535 HydrophobicContact CE3-CD1 3.65Å; W465-F535 HydrophobicContact CE3-CE1 4Å; W465-F535 HydrophobicContact CE3-CG 4.03Å; W465-F535 HydrophobicContact CH2-CB 4.02Å; W465-F535 HydrophobicContact CH2-CG 4.27Å; W465-F535 HydrophobicContact CZ3-CB 3.75Å; W465-F535 AromaticContact CZ3-CD1 3.66Å; W465-F535 HydrophobicContact CZ3-CD1 3.66Å; W465-F535 AromaticContact CZ3-CD2 3.96Å; W465-F535 HydrophobicContact CZ3-CD2 3.96Å; W465-F535 HydrophobicContact CZ3-CE1 4.21Å; W465-F535 HydrophobicContact CZ3-CE2 4.47Å; W465-F535 AromaticContact CZ3-CG 3.51Å; W465-F535 HydrophobicContact CZ3-CG 3.51Å
466Y92.7Very high87.9Confident1 Ų128 Ų280%0.00415%0.148CC..Hα-helixtrans-61.6-59.6175.1-174.6-86.1000110.8L422 P446 S462 M464 L468 L469 T470 E472 N475 F478L422-Y466 HydrophobicContact CD1-CD2 3.48Å; L422-Y466 VanDerWaalsContact CD1-CD2 3.48Å; L422-Y466 HydrophobicContact CD1-CE2 3.75Å; L422-Y466 HydrophobicContact CD1-CG 4.32Å; P446-Y466 HydrophobicContact CB-CE1 4.24Å; P446-Y466 HydrophobicContact CB-CE2 4.37Å; P446-Y466 VanDerWaalsContact CD-CE1 3.46Å; P446-Y466 HydrophobicContact CG-CD1 4.36Å; P446-Y466 HydrophobicContact CG-CE1 3.62Å; P446-Y466 HydrophobicContact CG-CE2 4.03Å; P446-Y466 VanDerWaalsContact CG-CZ 3.43Å; P446-Y466 WeakPolarHBondContact CG-OH 3.35Å; S462-Y466 WeakPolarHBondContact O-CB 3.41Å; S462-Y466 PolarHBondContact O-N 3.08Å; M464-Y466 VanDerWaalsContact C-N 3.34Å; M464-Y466 PolarHBondContact O-N 3.38Å; Y466-L468 PolarHBondContact O-N 3.19Å; Y466-L469 PolarHBondContact O-N 2.96Å; Y466-T470 HydrophobicContact CD1-CG2 3.84Å; Y466-T470 HydrophobicContact CD2-CG2 4.05Å; Y466-T470 HydrophobicContact CE1-CG2 3.4Å; Y466-T470 HydrophobicContact CE2-CG2 3.69Å; Y466-T470 HydrophobicContact CG-CG2 4.12Å; Y466-T470 WeakPolarHBondContact O-CG2 3.42Å; Y466-T470 PolarHBondContact O-N 3.4Å; Y466-T470 VanDerWaalsContact O-N 3.11Å; Y466-E472 PolarHBondContact OH-O 2.92Å; Y466-N475 HydrophobicContact CE2-CB 4.15Å; Y466-N475 WeakPolarHBondContact CE2-O 3.37Å; Y466-N475 PolarHBondContact OH-N 3.33Å; Y466-N475 VanDerWaalsContact OH-N 3.12Å; Y466-F478 HydrophobicContact CD2-CB 3.77Å; Y466-F478 AromaticContact CD2-CD1 3.8Å; Y466-F478 HydrophobicContact CD2-CD1 3.8Å; Y466-F478 AromaticContact CD2-CD2 3.97Å; Y466-F478 HydrophobicContact CD2-CD2 3.97Å; Y466-F478 HydrophobicContact CD2-CE1 4.31Å; Y466-F478 HydrophobicContact CD2-CE2 4.48Å; Y466-F478 AromaticContact CD2-CG 3.6Å; Y466-F478 HydrophobicContact CD2-CG 3.6Å; Y466-F478 HydrophobicContact CE2-CB 3.79Å; Y466-F478 HydrophobicContact CE2-CD2 4.16Å; Y466-F478 AromaticContact CE2-CG 3.97Å; Y466-F478 HydrophobicContact CE2-CG 3.97Å
467N92.2Very high87.4Confident0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-67.7-24.5-173-71-74.4000113R235 Q238 I242 V463 M464R235-N467 PolarHBondContact NH1-O 3.39Å; Q238-N467 HydrophobicContact CB-CB 4.47Å; I242-N467 HydrophobicContact CG2-CB 3.76Å; V463-N467 PolarHBondContact O-N 3.25Å; V463-N467 VanDerWaalsContact O-N 3.09Å; V463-N467 PolarHBondContact O-ND2 3.09Å; M464-N467 PolarHBondContact O-N 3.38Å
468L90.5Very high87.2Confident2 Ų228.3 Ų28.31%0.0116%0.156CC..Hα-helixtrans-69.4-45.9174.1-177.358.2000112L122 R235 M464 Y466 A485 Q489 L490 V493L122-L468 HydrophobicContact CD2-CD1 4.1Å; R235-L468 PolarHBondContact NH2-O 2.72Å; M464-L468 WeakPolarHBondContact O-CB 3.45Å; M464-L468 PolarHBondContact O-N 2.74Å; Y466-L468 PolarHBondContact O-N 3.19Å; L468-A485 HydrophobicContact CD2-CB 4.31Å; L468-Q489 HydrophobicContact CD1-CB 4.07Å; L468-L490 HydrophobicContact CD2-CD1 4.28Å; L468-V493 HydrophobicContact CD1-CG2 3.52Å; L468-V493 HydrophobicContact CD2-CG2 4.07Å; L468-V493 HydrophobicContact CG-CG2 4.28Å
469L89.3Confident87Confident38 Ų3827.7 Ų27.720%0.19915%0.147CC..Hα-helixtrans-102.9-8.1-163.6-58179.1000115.3W465 Y466 F478 P483 A485W465-L469 HydrophobicContact CD2-CD1 4.23Å; W465-L469 HydrophobicContact CG-CD1 4.24Å; W465-L469 HydrophobicContact CZ2-CD1 4.2Å; W465-L469 VanDerWaalsContact NE1-CD1 3.26Å; W465-L469 PolarHBondContact O-N 2.9Å; Y466-L469 PolarHBondContact O-N 2.96Å; L469-F478 HydrophobicContact CB-CZ 4.27Å; L469-P483 HydrophobicContact CB-CG 3.87Å; L469-P483 HydrophobicContact CD1-CB 4.32Å; L469-P483 HydrophobicContact CD1-CG 3.84Å; L469-P483 WeakPolarHBondContact CD1-O 2.7Å; L469-A485 HydrophobicContact CD1-CB 4.07Å; L469-A485 HydrophobicContact CD2-CB 3.71Å; L469-A485 HydrophobicContact CG-CB 4.37Å
470T86.6Confident86.5Confident18 Ų1830.2 Ų30.211%0.1117%0.174CC..  trans-133.2142.5176.9-159.90000112.7R235 Y466 E472 F478R235-T470 PolarHBondContact NH1-O 2.89Å; Y466-T470 HydrophobicContact CD1-CG2 3.84Å; Y466-T470 HydrophobicContact CD2-CG2 4.05Å; Y466-T470 HydrophobicContact CE1-CG2 3.4Å; Y466-T470 HydrophobicContact CE2-CG2 3.69Å; Y466-T470 HydrophobicContact CG-CG2 4.12Å; Y466-T470 WeakPolarHBondContact O-CG2 3.42Å; Y466-T470 PolarHBondContact O-N 3.4Å; Y466-T470 VanDerWaalsContact O-N 3.11Å; T470-E472 PolarHBondContact OG1-N 3.36Å; T470-F478 HydrophobicContact CG2-CD2 4.47Å; T470-F478 HydrophobicContact CG2-CE2 4.4Å
471D79.7Confident86.1Confident103 Ų10337 Ų3755%0.55121%0.21SC*.  trans-95.7-8.5170.9-57.7-22.4000110.9R235R235-D471 WeakPolarHBondContact CD-OD1 3.19Å; R235-D471 IonicContact CZ-OD1 3.08Å; R235-D471 IonicContact NE-OD1 2.8Å; R235-D471 PolarHBondContact NE-OD1 3.48Å; R235-D471 IonicContact NH1-OD1 3.4Å; R235-D471 PolarHBondContact NH1-OD1 2.88Å; R235-D471 IonicContact NH2-OD1 2.67Å
472E76.8Confident85.8Confident111 Ų11138.5 Ų38.552%0.51922%0.22SC..  trans-71.4127.9-178.6-66.5-170.5162.500110.8Y466 T470 R474 N475Y466-E472 PolarHBondContact OH-O 2.92Å; T470-E472 PolarHBondContact OG1-N 3.36Å; E472-R474 VanDerWaalsContact C-N 3.33Å; E472-R474 PolarHBondContact O-N 3.33Å; E472-N475 HydrophobicContact CB-CB 4.38Å
473P69.7Low85.6Confident70 Ų7041 Ų4146%0.45524%0.237SC..THydrogen-bonded Turntrans-78.3-14.3-17828.9-34.2000113.7P446P446-P473 WeakPolarHBondContact CD-O 3.45Å
474R74.7Confident85.4Confident101 Ų10148.5 Ų48.538%0.38127%0.265SS..THydrogen-bonded Turntrans-139.545.6-169.1-147.3178.6-161.9-168.43.2114.1K360 S426 E472K360-R474 PolarHBondContact O-NH2 2.83Å; S426-R474 PolarHBondContact OG-NH2 3.34Å; E472-R474 VanDerWaalsContact C-N 3.33Å; E472-R474 PolarHBondContact O-N 3.33Å
475N81.6Confident85.2Confident46 Ų4648.3 Ų48.325%0.24626%0.264CS..  trans-99.576.6174.1-171.3-5.5000112Y466 E472 G477 F478Y466-N475 HydrophobicContact CE2-CB 4.15Å; Y466-N475 WeakPolarHBondContact CE2-O 3.37Å; Y466-N475 PolarHBondContact OH-N 3.33Å; Y466-N475 VanDerWaalsContact OH-N 3.12Å; E472-N475 HydrophobicContact CB-CB 4.38Å; N475-G477 PolarHBondContact O-N 2.96Å; N475-G477 PolarHBondContact OD1-N 3.45Å; N475-F478 WeakPolarHBondContact O-CB 3.38Å; N475-F478 PolarHBondContact O-N 3.04Å; N475-F478 PolarHBondContact OD1-N 3.49Å
476L82.3Confident85Confident30 Ų3049.1 Ų49.116%0.15727%0.27CS..THydrogen-bonded Turntrans-69.5-15.1-179.1-53.8-178.9000113.5L362 L422 P446L362-L476 HydrophobicContact CD2-CD1 3.41Å; L362-L476 VanDerWaalsContact CD2-CD1 3.41Å; L422-L476 HydrophobicContact CB-CB 4.44Å; L422-L476 HydrophobicContact CB-CD2 3.97Å; P446-L476 HydrophobicContact CB-CD2 4.08Å; P446-L476 HydrophobicContact CG-CD2 4.19Å
477G81Confident84.8Confident33 Ų3350.8 Ų50.834%0.3428%0.276SS..THydrogen-bonded Turntrans-91.69177.800000114.5N475 F479 G480N475-G477 PolarHBondContact O-N 2.96Å; N475-G477 PolarHBondContact OD1-N 3.45Å; G477-F479 VanDerWaalsContact C-N 3.32Å; G477-F479 PolarHBondContact O-N 3.43Å; G477-G480 PolarHBondContact O-N 3.13Å
478F86.8Confident84.5Confident10 Ų1052.4 Ų52.44%0.04429%0.287CS..G310 helixtrans-53.3-43-171.7176-95.1000114L422 W465 Y466 L469 T470 N475 G480 N481 P483L422-F478 HydrophobicContact CD1-CB 4.08Å; W465-F478 AromaticContact CD1-CE1 3.84Å; Y466-F478 HydrophobicContact CD2-CB 3.77Å; Y466-F478 AromaticContact CD2-CD1 3.8Å; Y466-F478 HydrophobicContact CD2-CD1 3.8Å; Y466-F478 AromaticContact CD2-CD2 3.97Å; Y466-F478 HydrophobicContact CD2-CD2 3.97Å; Y466-F478 HydrophobicContact CD2-CE1 4.31Å; Y466-F478 HydrophobicContact CD2-CE2 4.48Å; Y466-F478 AromaticContact CD2-CG 3.6Å; Y466-F478 HydrophobicContact CD2-CG 3.6Å; Y466-F478 HydrophobicContact CE2-CB 3.79Å; Y466-F478 HydrophobicContact CE2-CD2 4.16Å; Y466-F478 AromaticContact CE2-CG 3.97Å; Y466-F478 HydrophobicContact CE2-CG 3.97Å; L469-F478 HydrophobicContact CB-CZ 4.27Å; T470-F478 HydrophobicContact CG2-CD2 4.47Å; T470-F478 HydrophobicContact CG2-CE2 4.4Å; N475-F478 WeakPolarHBondContact O-CB 3.38Å; N475-F478 PolarHBondContact O-N 3.04Å; N475-F478 PolarHBondContact OD1-N 3.49Å; F478-G480 PolarHBondContact O-N 3.35Å; F478-N481 CarbonylContact O-C 3.24Å; F478-N481 PolarHBondContact O-N 2.8Å; F478-P483 VanDerWaalsContact CE2-CD 3.45Å; F478-P483 HydrophobicContact CE2-CG 3.61Å; F478-P483 HydrophobicContact CZ-CG 3.78Å
479F87.1Confident84.4Confident7 Ų755.4 Ų55.43%0.03130%0.301CS..G310 helixtrans-76.4-1.8-179.3-70.6-73000114.7L416 E420 L422 S462 W465 G477 N481 P482 W532L416-F479 HydrophobicContact CD1-CB 4.31Å; L416-F479 HydrophobicContact CD2-CB 3.99Å; L416-F479 WeakPolarHBondContact CD2-O 3.49Å; E420-F479 HydrophobicContact CB-CB 3.94Å; E420-F479 HydrophobicContact CB-CD2 4.08Å; E420-F479 HydrophobicContact CB-CG 3.91Å; E420-F479 HydrophobicContact CG-CB 4.38Å; E420-F479 HydrophobicContact CG-CD1 4.23Å; E420-F479 HydrophobicContact CG-CG 4.12Å; E420-F479 VanDerWaalsContact O-CD2 3.24Å; E420-F479 WeakPolarHBondContact O-CD2 3.48Å; L422-F479 HydrophobicContact CD1-CD2 4.05Å; L422-F479 HydrophobicContact CD1-CE2 3.98Å; L422-F479 HydrophobicContact CD2-CE2 4.09Å; L422-F479 HydrophobicContact CG-CD2 4.1Å; L422-F479 HydrophobicContact CG-CE2 4.08Å; S462-F479 VanDerWaalsContact CB-CZ 3.5Å; S462-F479 WeakPolarHBondContact O-CZ 3.38Å; W465-F479 HydrophobicContact CB-CE1 4.46Å; W465-F479 HydrophobicContact CB-CZ 4.46Å; G477-F479 VanDerWaalsContact C-N 3.32Å; G477-F479 PolarHBondContact O-N 3.43Å; F479-N481 VanDerWaalsContact C-N 3.32Å; F479-P482 HydrophobicContact CD1-CB 4.38Å; F479-W532 HydrophobicContact CD1-CD2 4.27Å; F479-W532 AromaticContact CD1-CE2 3.83Å; F479-W532 HydrophobicContact CD1-CG 4.49Å; F479-W532 HydrophobicContact CD1-CZ2 4.16Å; F479-W532 AromaticContact CD1-NE1 3.77Å; F479-W532 AromaticContact CE1-CD2 3.86Å; F479-W532 HydrophobicContact CE1-CD2 3.86Å; F479-W532 AromaticContact CE1-CE2 3.61Å; F479-W532 HydrophobicContact CE1-CE3 4.15Å; F479-W532 HydrophobicContact CE1-CG 4.45Å; F479-W532 AromaticContact CE1-CH2 3.99Å; F479-W532 HydrophobicContact CE1-CH2 3.99Å; F479-W532 AromaticContact CE1-CZ2 3.69Å; F479-W532 HydrophobicContact CE1-CZ2 3.69Å; F479-W532 HydrophobicContact CE1-CZ3 4.21Å; F479-W532 HydrophobicContact CZ-CH2 4.47Å; F479-W532 HydrophobicContact CZ-CZ2 4.44Å
480G83.6Confident84.4Confident54 Ų5453.7 Ų53.756%0.55729%0.292SS*.G310 helixtrans-67-34.2169.100000112.6G477 F478G477-G480 PolarHBondContact O-N 3.13Å; F478-G480 PolarHBondContact O-N 3.35Å
481N84.9Confident84.5Confident145 Ų14553.7 Ų53.778%0.77529%0.293SS*.SBendtrans-148.877.7173-173.122.2000109.9F478 F479F478-N481 CarbonylContact O-C 3.24Å; F478-N481 PolarHBondContact O-N 2.8Å; F479-N481 VanDerWaalsContact C-N 3.32Å
482P87.8Confident85Confident32 Ų3249.7 Ų49.721%0.20827%0.271CS..PPolyproline II helixtrans-69.1131.4-171.726.4-32.8000111F479 W532F479-P482 HydrophobicContact CD1-CB 4.38Å; P482-W532 HydrophobicContact CB-CB 3.81Å; P482-W532 HydrophobicContact CB-CG 4.17Å; P482-W532 HydrophobicContact CG-CB 3.64Å; P482-W532 HydrophobicContact CG-CG 3.95Å
483P90.2Very high85.7Confident53 Ų5344.5 Ų44.534%0.34425%0.246SC..PPolyproline II helixtrans-64.4161.3174.826.1-32000111.4W465 L469 F478W465-P483 PolarHBondContact NE1-O 3.29Å; W465-P483 VanDerWaalsContact NE1-O 3.11Å; L469-P483 HydrophobicContact CB-CG 3.87Å; L469-P483 HydrophobicContact CD1-CB 4.32Å; L469-P483 HydrophobicContact CD1-CG 3.84Å; L469-P483 WeakPolarHBondContact CD1-O 2.7Å; F478-P483 VanDerWaalsContact CE2-CD 3.45Å; F478-P483 HydrophobicContact CE2-CG 3.61Å; F478-P483 HydrophobicContact CZ-CG 3.78Å
484R89.3Confident86.7Confident158 Ų15841.1 Ų41.160%0.59623%0.225SC*.PPolyproline II helixtrans-89.1138.9175.6-56.5-177.7176.2-178.9-1.8110.1Q529 V530R484-Q529 HydrophobicContact CB-CB 3.83Å; R484-Q529 HydrophobicContact CB-CG 4.44Å; R484-V530 CarbonylContact C-O 2.99Å; R484-V530 VanDerWaalsContact CA-O 3.28Å; R484-V530 WeakPolarHBondContact CA-O 3.27Å; R484-V530 WeakPolarHBondContact CB-O 3.31Å
485A89Confident87.5Confident0 Ų037.5 Ų37.50%022%0.215CC..EExtended strand (participates in β ladder)trans-89.3142.3177.200000110.9W465 L468 L469 L490 Q529 V530W465-A485 HydrophobicContact CH2-CB 3.63Å; W465-A485 HydrophobicContact CZ2-CB 3.78Å; W465-A485 HydrophobicContact CZ3-CB 4.21Å; L468-A485 HydrophobicContact CD2-CB 4.31Å; L469-A485 HydrophobicContact CD1-CB 4.07Å; L469-A485 HydrophobicContact CD2-CB 3.71Å; L469-A485 HydrophobicContact CG-CB 4.37Å; A485-L490 HydrophobicContact CB-CB 4.48Å; A485-Q529 CarbonylContact O-C 3.6Å; A485-Q529 VanDerWaalsContact O-CA 3.25Å; A485-Q529 WeakPolarHBondContact O-CA 3.31Å; A485-V530 PolarHBondContact N-O 3.38Å; A485-V530 PolarHBondContact O-N 3.45Å
486S89.6Confident87.9Confident19 Ų1936.1 Ų36.113%0.13321%0.206CC..EExtended strand (participates in β ladder)trans-72147.3166.171.30000110.2S488 Q489 L490S486-S488 VanDerWaalsContact C-N 3.3Å; S486-S488 PolarHBondContact O-N 3.33Å; S486-S488 PolarHBondContact OG-OG 3.21Å; S486-Q489 PolarHBondContact O-N 3.27Å; S486-Q489 WeakPolarHBondContact OG-CB 3.39Å; S486-Q489 VanDerWaalsContact OG-CG 3.27Å; S486-Q489 WeakPolarHBondContact OG-CG 3.08Å; S486-Q489 PolarHBondContact OG-N 3.13Å; S486-Q489 PolarHBondContact OG-OE1 3.28Å; S486-L490 WeakPolarHBondContact O-CB 3.32Å; S486-L490 PolarHBondContact O-N 3.29Å
487W88.5Confident88.3Confident37 Ų3734.7 Ų34.714%0.1420%0.199CC..Hα-helixtrans-61.7-38.5176.4179.8-114.5000112.4Q489 L490 S491 L494 L511 L514 G515 L518 L519 Y528 V530W487-Q489 PolarHBondContact O-N 3.32Å; W487-L490 HydrophobicContact CE3-CB 4.43Å; W487-L490 HydrophobicContact CE3-CD2 4.2Å; W487-L490 HydrophobicContact CZ3-CD2 4.11Å; W487-L490 HydrophobicContact CZ3-CG 4.38Å; W487-L490 PolarHBondContact O-N 3.05Å; W487-S491 WeakPolarHBondContact O-CB 3.41Å; W487-S491 PolarHBondContact O-N 3.49Å; W487-S491 PolarHBondContact O-OG 3.1Å; W487-S491 VanDerWaalsContact O-OG 3.14Å; W487-L494 HydrophobicContact CH2-CD1 4.09Å; W487-L494 HydrophobicContact CZ3-CD1 4.25Å; W487-L511 VanDerWaalsContact CZ2-O 3.25Å; W487-L511 WeakPolarHBondContact CZ2-O 3.48Å; W487-L514 HydrophobicContact CH2-CB 4Å; W487-L514 HydrophobicContact CZ2-CB 4.41Å; W487-G515 VanDerWaalsContact CZ2-N 3.33Å; W487-L518 HydrophobicContact CE3-CD1 4.38Å; W487-L518 HydrophobicContact CH2-CD1 4.24Å; W487-L518 HydrophobicContact CZ3-CD1 3.54Å; W487-L519 HydrophobicContact CB-CD1 4.22Å; W487-L519 HydrophobicContact CD2-CD1 4.42Å; W487-L519 HydrophobicContact CG-CD1 4.17Å; W487-Y528 PolarHBondContact N-O 2.85Å; W487-V530 HydrophobicContact CE3-CG2 4.31Å
488S85.9Confident88.7Confident33 Ų3333.1 Ų33.123%0.23118%0.183CC..Hα-helixtrans-50.7-55.2173.840.70000111.8S486 S491 E492 D527S486-S488 VanDerWaalsContact C-N 3.3Å; S486-S488 PolarHBondContact O-N 3.33Å; S486-S488 PolarHBondContact OG-OG 3.21Å; S488-S491 PolarHBondContact O-OG 3.29Å; S488-E492 PolarHBondContact O-N 2.88Å; S488-D527 VanDerWaalsContact CB-OD1 3.26Å; S488-D527 WeakPolarHBondContact CB-OD1 3.38Å; S488-D527 PolarHBondContact OG-OD1 3.46Å
489Q87.7Confident88.7Confident65 Ų6534.8 Ų34.830%0.30420%0.195SC..Hα-helixtrans-65.5-42.8179-69.9176-2300112.7L468 S486 W487 V493L468-Q489 HydrophobicContact CD1-CB 4.07Å; S486-Q489 PolarHBondContact O-N 3.27Å; S486-Q489 WeakPolarHBondContact OG-CB 3.39Å; S486-Q489 VanDerWaalsContact OG-CG 3.27Å; S486-Q489 WeakPolarHBondContact OG-CG 3.08Å; S486-Q489 PolarHBondContact OG-N 3.13Å; S486-Q489 PolarHBondContact OG-OE1 3.28Å; W487-Q489 PolarHBondContact O-N 3.32Å; Q489-V493 WeakPolarHBondContact O-CG2 3.41Å; Q489-V493 PolarHBondContact O-N 3.12Å
490L89.9Confident88.5Confident3 Ų337.3 Ų37.32%0.01621%0.212CC..Hα-helixtrans-67.6-40.3-178.3-176.760.6000111.9W465 L468 A485 S486 W487 E492 V493 L494 L518 V530 F535W465-L490 HydrophobicContact CH2-CD2 4.38Å; W465-L490 HydrophobicContact CZ3-CD1 3.95Å; W465-L490 HydrophobicContact CZ3-CD2 4.09Å; L468-L490 HydrophobicContact CD2-CD1 4.28Å; A485-L490 HydrophobicContact CB-CB 4.48Å; S486-L490 WeakPolarHBondContact O-CB 3.32Å; S486-L490 PolarHBondContact O-N 3.29Å; W487-L490 HydrophobicContact CE3-CB 4.43Å; W487-L490 HydrophobicContact CE3-CD2 4.2Å; W487-L490 HydrophobicContact CZ3-CD2 4.11Å; W487-L490 HydrophobicContact CZ3-CG 4.38Å; W487-L490 PolarHBondContact O-N 3.05Å; L490-E492 VanDerWaalsContact C-N 3.31Å; L490-E492 PolarHBondContact O-N 3.39Å; L490-V493 PolarHBondContact O-N 3.17Å; L490-L494 HydrophobicContact CD1-CG 4.48Å; L490-L494 HydrophobicContact CG-CD1 4.46Å; L490-L494 HydrophobicContact CG-CG 4.41Å; L490-L494 WeakPolarHBondContact O-CG 3.43Å; L490-L494 PolarHBondContact O-N 3.08Å; L490-L518 HydrophobicContact CD2-CD1 4.46Å; L490-V530 HydrophobicContact CD2-CB 4.16Å; L490-V530 HydrophobicContact CD2-CG1 4.19Å; L490-V530 HydrophobicContact CD2-CG2 4.12Å; L490-F535 HydrophobicContact CD1-CE2 4.07Å; L490-F535 HydrophobicContact CD1-CZ 4.42Å; L490-F535 HydrophobicContact CD2-CD2 4.16Å; L490-F535 HydrophobicContact CD2-CE2 4.34Å
491S89.4Confident88.4Confident17 Ų1736 Ų3612%0.11919%0.191CC..Hα-helixtrans-61.1-39.2-179.571.30000112.1W487 S488 L494 S495W487-S491 WeakPolarHBondContact O-CB 3.41Å; W487-S491 PolarHBondContact O-N 3.49Å; W487-S491 PolarHBondContact O-OG 3.1Å; W487-S491 VanDerWaalsContact O-OG 3.14Å; S488-S491 PolarHBondContact O-OG 3.29Å; S491-L494 PolarHBondContact O-N 2.67Å; S491-S495 PolarHBondContact O-N 3.1Å
492E89.4Confident88.2Confident20 Ų2029.2 Ų29.29%0.09315%0.154CC..Hα-helixtrans-63.6-48174-69.6-176.4-137.800111.3G120 A121 L122 E123 S488 L490 L494 S495 W496G120-E492 WeakPolarHBondContact CA-OE1 3.29Å; G120-E492 WeakPolarHBondContact CA-OE2 3.42Å; A121-E492 PolarHBondContact N-OE1 3.01Å; L122-E492 WeakPolarHBondContact CB-OE2 3.37Å; L122-E492 PolarHBondContact N-OE1 2.78Å; L122-E492 PolarHBondContact N-OE2 3.08Å; E123-E492 PolarHBondContact N-OE2 3.42Å; S488-E492 PolarHBondContact O-N 2.88Å; L490-E492 VanDerWaalsContact C-N 3.31Å; L490-E492 PolarHBondContact O-N 3.39Å; E492-L494 VanDerWaalsContact C-N 3.29Å; E492-L494 PolarHBondContact O-N 2.8Å; E492-S495 WeakPolarHBondContact O-CB 3.34Å; E492-S495 PolarHBondContact O-N 3.09Å; E492-S495 VanDerWaalsContact O-N 3.09Å; E492-W496 HydrophobicContact CB-CZ2 4.27Å; E492-W496 VanDerWaalsContact O-CG 3.26Å; E492-W496 PolarHBondContact O-N 2.96Å
493V91Very high87.5Confident1 Ų129.4 Ų29.41%0.00616%0.163CC..Hα-helixtrans-60.5-40177.5175.40000111.9I242 M464 L468 Q489 L490 W496 Q497I242-V493 HydrophobicContact CD1-CG1 4.09Å; I242-V493 HydrophobicContact CD1-CG2 3.83Å; M464-V493 HydrophobicContact SD-CG1 4.22Å; L468-V493 HydrophobicContact CD1-CG2 3.52Å; L468-V493 HydrophobicContact CD2-CG2 4.07Å; L468-V493 HydrophobicContact CG-CG2 4.28Å; Q489-V493 WeakPolarHBondContact O-CG2 3.41Å; Q489-V493 PolarHBondContact O-N 3.12Å; L490-V493 PolarHBondContact O-N 3.17Å; V493-W496 HydrophobicContact CB-CE3 4.28Å; V493-W496 HydrophobicContact CG2-CE3 3.87Å; V493-W496 HydrophobicContact CG2-CZ3 3.73Å; V493-W496 WeakPolarHBondContact O-CB 3.31Å; V493-W496 PolarHBondContact O-N 3.36Å; V493-Q497 WeakPolarHBondContact O-CG 3.43Å; V493-Q497 PolarHBondContact O-N 3.1Å; V493-Q497 VanDerWaalsContact O-N 3.08Å; V493-Q497 PolarHBondContact O-NE2 3.3Å
494L91.8Very high87.2Confident0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-62.1-46.7174.7-68.6-175.6000110.5W487 L490 S491 E492 W496 Q497 F498 L506 F535 F547 W548 L551W487-L494 HydrophobicContact CH2-CD1 4.09Å; W487-L494 HydrophobicContact CZ3-CD1 4.25Å; L490-L494 HydrophobicContact CD1-CG 4.48Å; L490-L494 HydrophobicContact CG-CD1 4.46Å; L490-L494 HydrophobicContact CG-CG 4.41Å; L490-L494 WeakPolarHBondContact O-CG 3.43Å; L490-L494 PolarHBondContact O-N 3.08Å; S491-L494 PolarHBondContact O-N 2.67Å; E492-L494 VanDerWaalsContact C-N 3.29Å; E492-L494 PolarHBondContact O-N 2.8Å; L494-W496 VanDerWaalsContact C-N 3.29Å; L494-W496 PolarHBondContact O-N 3.34Å; L494-Q497 WeakPolarHBondContact O-CB 3.45Å; L494-Q497 PolarHBondContact O-N 2.87Å; L494-F498 WeakPolarHBondContact O-CD2 3.46Å; L494-F498 PolarHBondContact O-N 3.06Å; L494-L506 HydrophobicContact CB-CD1 4.32Å; L494-F535 HydrophobicContact CD2-CE2 4.28Å; L494-F547 HydrophobicContact CD1-CE1 4.29Å; L494-F547 HydrophobicContact CD1-CZ 4.38Å; L494-W548 HydrophobicContact CD2-CE3 4.36Å; L494-W548 HydrophobicContact CD2-CZ3 3.91Å; L494-L551 HydrophobicContact CD1-CD2 4.23Å; L494-L551 HydrophobicContact CD2-CD2 3.57Å; L494-L551 HydrophobicContact CG-CD2 4.39Å
495S91.1Very high87.1Confident25 Ų2522.8 Ų22.818%0.17514%0.137CC..Hα-helixtrans-58.4-41.1176.2-166.80000112.2S491 E492 Q497 F498 S499 G505 L506S491-S495 PolarHBondContact O-N 3.1Å; E492-S495 WeakPolarHBondContact O-CB 3.34Å; E492-S495 PolarHBondContact O-N 3.09Å; E492-S495 VanDerWaalsContact O-N 3.09Å; S495-Q497 VanDerWaalsContact C-N 3.3Å; S495-Q497 PolarHBondContact O-N 3.5Å; S495-F498 PolarHBondContact O-N 3Å; S495-F498 VanDerWaalsContact O-N 3.1Å; S495-S499 PolarHBondContact O-N 3.22Å; S495-G505 WeakPolarHBondContact O-CA 3.49Å; S495-L506 PolarHBondContact OG-N 3.05Å; S495-L506 PolarHBondContact OG-O 2.89Å
496W89.7Confident87Confident16 Ų1623.5 Ų23.56%0.06114%0.14CC..Hα-helixtrans-61.7-32.6174.7-66.1-20.6000114L122 E123 I239 I242 G243 E492 V493 L494 F498 S499 T500L122-W496 HydrophobicContact CD2-CH2 3.66Å; L122-W496 HydrophobicContact CD2-CZ3 4.25Å; L122-W496 HydrophobicContact CG-CH2 4.27Å; E123-W496 HydrophobicContact CG-CZ2 3.55Å; E123-W496 PolarHBondContact OE1-NE1 3.37Å; I239-W496 HydrophobicContact CG2-CE3 4.47Å; I239-W496 HydrophobicContact CG2-CH2 3.48Å; I239-W496 VanDerWaalsContact CG2-CH2 3.48Å; I239-W496 HydrophobicContact CG2-CZ2 4.44Å; I239-W496 HydrophobicContact CG2-CZ3 3.5Å; I242-W496 HydrophobicContact CD1-CZ3 4.37Å; G243-W496 WeakPolarHBondContact O-CB 3.03Å; E492-W496 HydrophobicContact CB-CZ2 4.27Å; E492-W496 VanDerWaalsContact O-CG 3.26Å; E492-W496 PolarHBondContact O-N 2.96Å; V493-W496 HydrophobicContact CB-CE3 4.28Å; V493-W496 HydrophobicContact CG2-CE3 3.87Å; V493-W496 HydrophobicContact CG2-CZ3 3.73Å; V493-W496 WeakPolarHBondContact O-CB 3.31Å; V493-W496 PolarHBondContact O-N 3.36Å; L494-W496 VanDerWaalsContact C-N 3.29Å; L494-W496 PolarHBondContact O-N 3.34Å; W496-F498 VanDerWaalsContact C-N 3.33Å; W496-S499 WeakPolarHBondContact CA-OG 3.45Å; W496-S499 PolarHBondContact O-N 2.89Å; W496-S499 PolarHBondContact O-OG 3.11Å; W496-T500 VanDerWaalsContact O-CB 3.3Å; W496-T500 WeakPolarHBondContact O-CB 3.45Å; W496-T500 PolarHBondContact O-N 3.25Å; W496-T500 PolarHBondContact O-OG1 3.16Å
497Q91Very high86.9Confident1 Ų125.2 Ų25.21%0.00515%0.148CC..Hα-helixtrans-63.3-43.5173.1-58.7-43.1-68.500110.6I242 M464 V493 L494 S495 F501 W548 L555I242-Q497 PolarHBondContact O-NE2 3.4Å; M464-Q497 VanDerWaalsContact SD-CD 3.55Å; M464-Q497 HydrophobicContact SD-CG 3.9Å; V493-Q497 WeakPolarHBondContact O-CG 3.43Å; V493-Q497 PolarHBondContact O-N 3.1Å; V493-Q497 VanDerWaalsContact O-N 3.08Å; V493-Q497 PolarHBondContact O-NE2 3.3Å; L494-Q497 WeakPolarHBondContact O-CB 3.45Å; L494-Q497 PolarHBondContact O-N 2.87Å; S495-Q497 VanDerWaalsContact C-N 3.3Å; S495-Q497 PolarHBondContact O-N 3.5Å; Q497-F501 VanDerWaalsContact O-CB 3.27Å; Q497-F501 WeakPolarHBondContact O-CB 3.37Å; Q497-F501 VanDerWaalsContact O-CD2 3.23Å; Q497-F501 WeakPolarHBondContact O-CD2 3.45Å; Q497-F501 PolarHBondContact O-N 3.28Å; Q497-W548 HydrophobicContact CG-CH2 4.12Å; Q497-W548 HydrophobicContact CG-CZ3 4.46Å; Q497-L555 HydrophobicContact CB-CD1 3.86Å
498F89.4Confident86.8Confident0 Ų030.1 Ų30.10%017%0.17CC..Hα-helixtrans-69.4-40.2179.1-76.8-99.2000111.6L494 S495 W496 A502 G503 R504 L506 L551 I554 L555 I558 W566 F574L494-F498 WeakPolarHBondContact O-CD2 3.46Å; L494-F498 PolarHBondContact O-N 3.06Å; S495-F498 PolarHBondContact O-N 3Å; S495-F498 VanDerWaalsContact O-N 3.1Å; W496-F498 VanDerWaalsContact C-N 3.33Å; F498-A502 CarbonylContact O-C 3.55Å; F498-A502 VanDerWaalsContact O-CA 3.3Å; F498-A502 WeakPolarHBondContact O-CA 3.41Å; F498-A502 VanDerWaalsContact O-CB 3.27Å; F498-A502 WeakPolarHBondContact O-CB 3.2Å; F498-A502 PolarHBondContact O-N 2.86Å; F498-G503 PolarHBondContact O-N 3.01Å; F498-R504 CarbonylContact C-O 3.6Å; F498-R504 WeakPolarHBondContact CB-O 3.44Å; F498-R504 VanDerWaalsContact O-O 3.12Å; F498-L506 HydrophobicContact CB-CD2 4.28Å; F498-L506 HydrophobicContact CB-CG 4.17Å; F498-L506 HydrophobicContact CD1-CD2 3.79Å; F498-L506 HydrophobicContact CD1-CG 4.47Å; F498-L506 HydrophobicContact CD2-CD1 3.68Å; F498-L506 HydrophobicContact CD2-CD2 3.77Å; F498-L506 HydrophobicContact CD2-CG 3.66Å; F498-L506 HydrophobicContact CE1-CD2 4.05Å; F498-L506 HydrophobicContact CE2-CD1 3.87Å; F498-L506 HydrophobicContact CE2-CD2 4.06Å; F498-L506 HydrophobicContact CE2-CG 4.21Å; F498-L506 HydrophobicContact CG-CD1 4.36Å; F498-L506 HydrophobicContact CG-CD2 3.66Å; F498-L506 HydrophobicContact CG-CG 3.83Å; F498-L506 HydrophobicContact CZ-CD2 4.2Å; F498-L551 HydrophobicContact CE2-CD1 3.86Å; F498-L551 HydrophobicContact CE2-CD2 4.28Å; F498-L551 HydrophobicContact CE2-CG 4.04Å; F498-L551 HydrophobicContact CZ-CD1 3.69Å; F498-L551 HydrophobicContact CZ-CG 4.17Å; F498-I554 HydrophobicContact CE1-CG2 4.44Å; F498-L555 HydrophobicContact CB-CD2 4.3Å; F498-L555 HydrophobicContact CD1-CD2 3.47Å; F498-L555 VanDerWaalsContact CD1-CD2 3.47Å; F498-L555 HydrophobicContact CD1-CG 4.42Å; F498-L555 HydrophobicContact CD2-CD1 4.49Å; F498-L555 HydrophobicContact CD2-CD2 3.77Å; F498-L555 HydrophobicContact CD2-CG 4.37Å; F498-L555 HydrophobicContact CE1-CD2 3.52Å; F498-L555 HydrophobicContact CE1-CG 4Å; F498-L555 HydrophobicContact CE2-CD1 4.12Å; F498-L555 HydrophobicContact CE2-CD2 3.81Å; F498-L555 HydrophobicContact CE2-CG 3.94Å; F498-L555 HydrophobicContact CG-CD2 3.59Å; F498-L555 HydrophobicContact CZ-CD1 4.37Å; F498-L555 HydrophobicContact CZ-CD2 3.67Å; F498-L555 HydrophobicContact CZ-CG 3.72Å; F498-I558 HydrophobicContact CD1-CD1 4.03Å; F498-I558 HydrophobicContact CE1-CD1 3.65Å; F498-W566 HydrophobicContact CB-CZ2 4.42Å; F498-W566 HydrophobicContact CD1-CH2 4.06Å; F498-W566 AromaticContact CD1-CZ2 3.61Å; F498-W566 HydrophobicContact CD1-CZ2 3.61Å; F498-W566 HydrophobicContact CE1-CH2 4.41Å; F498-W566 HydrophobicContact CE1-CZ2 4.36Å; F498-W566 HydrophobicContact CG-CZ2 4.36Å; F498-F574 AromaticContact CE1-CE2 3.85Å; F498-F574 HydrophobicContact CE1-CE2 3.85Å; F498-F574 AromaticContact CE1-CZ 3.98Å; F498-F574 HydrophobicContact CE1-CZ 3.98Å; F498-F574 HydrophobicContact CE2-CZ 4.47Å; F498-F574 AromaticContact CZ-CE2 3.77Å; F498-F574 HydrophobicContact CZ-CE2 3.77Å; F498-F574 AromaticContact CZ-CZ 3.58Å; F498-F574 HydrophobicContact CZ-CZ 3.58Å
499S85.7Confident86.8Confident44 Ų4434.9 Ų34.931%0.30819%0.189SC..Hα-helixtrans-63.8-46.7176.3650000112.2S495 W496 G503S495-S499 PolarHBondContact O-N 3.22Å; W496-S499 WeakPolarHBondContact CA-OG 3.45Å; W496-S499 PolarHBondContact O-N 2.89Å; W496-S499 PolarHBondContact O-OG 3.11Å; S499-G503 CarbonylContact O-C 3.57Å; S499-G503 WeakPolarHBondContact O-CA 3.47Å; S499-G503 PolarHBondContact O-N 2.95Å
500T83.4Confident86.9Confident61 Ų6132 Ų3237%0.37418%0.176SC..Hα-helixtrans-71.2-36.6-176.5-560000112.6G243 Q324 W496G243-T500 WeakPolarHBondContact CA-OG1 3.36Å; G243-T500 PolarHBondContact O-OG1 3.36Å; Q324-T500 PolarHBondContact NE2-O 3.43Å; W496-T500 VanDerWaalsContact O-CB 3.3Å; W496-T500 WeakPolarHBondContact O-CB 3.45Å; W496-T500 PolarHBondContact O-N 3.25Å; W496-T500 PolarHBondContact O-OG1 3.16Å
501F81.1Confident86.8Confident26 Ų2633 Ų3311%0.11418%0.181CC..Hα-helixtrans-92.5-32.4-176.3-77.1-101.2000114.1Q324 K325 Q497 L555Q324-F501 HydrophobicContact CB-CD1 4.14Å; Q324-F501 HydrophobicContact CB-CE1 3.46Å; Q324-F501 VanDerWaalsContact CB-CE1 3.46Å; Q324-F501 HydrophobicContact CB-CE2 4Å; Q324-F501 HydrophobicContact CB-CZ 3.39Å; Q324-F501 HydrophobicContact CG-CD1 4.46Å; Q324-F501 HydrophobicContact CG-CE1 4.23Å; Q324-F501 HydrophobicContact CG-CZ 4.46Å; Q324-F501 WeakPolarHBondContact O-CZ 3.41Å; K325-F501 HydrophobicContact CD-CZ 4.31Å; K325-F501 HydrophobicContact CG-CE1 4.28Å; K325-F501 HydrophobicContact CG-CZ 3.68Å; Q497-F501 VanDerWaalsContact O-CB 3.27Å; Q497-F501 WeakPolarHBondContact O-CB 3.37Å; Q497-F501 VanDerWaalsContact O-CD2 3.23Å; Q497-F501 WeakPolarHBondContact O-CD2 3.45Å; Q497-F501 PolarHBondContact O-N 3.28Å; F501-L555 HydrophobicContact CB-CD2 4.35Å
502A80.8Confident86.7Confident2 Ų236 Ų362%0.01720%0.196CC..Hα-helixtrans-119.60.3-172.800000113.8F498 R504 I558 L563 W566 N567F498-A502 CarbonylContact O-C 3.55Å; F498-A502 VanDerWaalsContact O-CA 3.3Å; F498-A502 WeakPolarHBondContact O-CA 3.41Å; F498-A502 VanDerWaalsContact O-CB 3.27Å; F498-A502 WeakPolarHBondContact O-CB 3.2Å; F498-A502 PolarHBondContact O-N 2.86Å; A502-R504 PolarHBondContact O-N 2.68Å; A502-I558 HydrophobicContact CB-CG2 3.65Å; A502-L563 HydrophobicContact CB-CD1 4.23Å; A502-L563 VanDerWaalsContact O-CD1 3.26Å; A502-L563 WeakPolarHBondContact O-CD1 3.4Å; A502-W566 HydrophobicContact CB-CG 4.5Å; A502-N567 PolarHBondContact O-OD1 3.16Å
503G74.7Confident86.7Confident37 Ų3736 Ų3638%0.38120%0.195SC..SBendtrans84.5-16.6177.100000114.7F498 S499F498-G503 PolarHBondContact O-N 3.01Å; S499-G503 CarbonylContact O-C 3.57Å; S499-G503 WeakPolarHBondContact O-CA 3.47Å; S499-G503 PolarHBondContact O-N 2.95Å
504R83.9Confident86.7Confident53 Ų5335.9 Ų35.920%0.220%0.195CC..SBendtrans-139132.2179179-170.7159.6-148.1-0.4110.9F498 A502 W566 N569F498-R504 CarbonylContact C-O 3.6Å; F498-R504 WeakPolarHBondContact CB-O 3.44Å; F498-R504 VanDerWaalsContact O-O 3.12Å; A502-R504 PolarHBondContact O-N 2.68Å; R504-W566 PolarHBondContact NH1-O 2.76Å; R504-W566 PolarHBondContact O-NE1 2.71Å; R504-N569 VanDerWaalsContact NH1-CB 3.3Å; R504-N569 VanDerWaalsContact NH1-CG 3.27Å; R504-N569 PolarHBondContact NH1-OD1 3.42Å; R504-N569 VanDerWaalsContact NH2-CG 3.32Å; R504-N569 PolarHBondContact NH2-OD1 2.98Å
505G85.9Confident86.4Confident19 Ų1936 Ų3620%0.19620%0.196CC..  trans-75.1-173.417700000114.6S495S495-G505 WeakPolarHBondContact O-CA 3.49Å
506L88.1Confident86.1Confident15 Ų1539.2 Ų39.28%0.07921%0.208CC..  trans-90.7143.6179.1-60.8175.1000111.4L494 S495 F498 Q510 L511 L514 W566 F574L494-L506 HydrophobicContact CB-CD1 4.32Å; S495-L506 PolarHBondContact OG-N 3.05Å; S495-L506 PolarHBondContact OG-O 2.89Å; F498-L506 HydrophobicContact CB-CD2 4.28Å; F498-L506 HydrophobicContact CB-CG 4.17Å; F498-L506 HydrophobicContact CD1-CD2 3.79Å; F498-L506 HydrophobicContact CD1-CG 4.47Å; F498-L506 HydrophobicContact CD2-CD1 3.68Å; F498-L506 HydrophobicContact CD2-CD2 3.77Å; F498-L506 HydrophobicContact CD2-CG 3.66Å; F498-L506 HydrophobicContact CE1-CD2 4.05Å; F498-L506 HydrophobicContact CE2-CD1 3.87Å; F498-L506 HydrophobicContact CE2-CD2 4.06Å; F498-L506 HydrophobicContact CE2-CG 4.21Å; F498-L506 HydrophobicContact CG-CD1 4.36Å; F498-L506 HydrophobicContact CG-CD2 3.66Å; F498-L506 HydrophobicContact CG-CG 3.83Å; F498-L506 HydrophobicContact CZ-CD2 4.2Å; L506-Q510 HydrophobicContact CB-CB 4.44Å; L506-Q510 HydrophobicContact CD2-CB 4.43Å; L506-L511 HydrophobicContact CB-CD2 3.86Å; L506-L511 HydrophobicContact CB-CG 3.94Å; L506-L511 HydrophobicContact CD1-CD2 3.7Å; L506-L511 HydrophobicContact CG-CD2 4.44Å; L506-L514 HydrophobicContact CD1-CD1 3.66Å; L506-W566 HydrophobicContact CD2-CH2 3.98Å; L506-W566 HydrophobicContact CD2-CZ2 4.18Å; L506-F574 HydrophobicContact CD2-CD2 3.89Å; L506-F574 HydrophobicContact CD2-CE2 3.59Å
507N86.7Confident85.9Confident55 Ų5540.8 Ų40.829%0.29422%0.215SC..  trans-87.5170.517372.116.8000111.6E509 Q510 L511N507-E509 PolarHBondContact O-N 3.08Å; N507-E509 PolarHBondContact OD1-N 3.25Å; N507-Q510 PolarHBondContact O-N 2.97Å; N507-Q510 WeakPolarHBondContact OD1-CB 3.34Å; N507-Q510 VanDerWaalsContact OD1-CD 3.3Å; N507-Q510 WeakPolarHBondContact OD1-CG 3.38Å; N507-Q510 PolarHBondContact OD1-N 3.09Å; N507-Q510 PolarHBondContact OD1-OE1 3.35Å; N507-L511 WeakPolarHBondContact O-CG 3.35Å; N507-L511 PolarHBondContact O-N 2.97Å
508K85.8Confident85.5Confident139 Ų13941.6 Ų41.660%0.60422%0.22SC*.Hα-helixtrans-57.6-46.2-177.9-173.3171.4-178167.30112.7Q510 L511 D512K508-Q510 PolarHBondContact O-N 3.41Å; K508-L511 PolarHBondContact O-N 3.35Å; K508-D512 WeakPolarHBondContact O-CB 3.42Å; K508-D512 PolarHBondContact O-N 3.07Å
509E85.9Confident85.1Confident134 Ų13443.7 Ų43.763%0.62623%0.231SC*.Hα-helixtrans-62.4-40.7180-62.3175.4179.200112.6N507 D512 M513N507-E509 PolarHBondContact O-N 3.08Å; N507-E509 PolarHBondContact OD1-N 3.25Å; E509-D512 PolarHBondContact O-N 3.38Å; E509-M513 PolarHBondContact O-N 3.16Å; E509-M513 VanDerWaalsContact O-N 3.12Å
510Q89.8Confident84.6Confident4 Ų443.1 Ų43.12%0.01923%0.232CC..Hα-helixtrans-65.5-41.1175.3-72.7165.2-1700111.3L506 N507 K508 L514 M572 F574L506-Q510 HydrophobicContact CB-CB 4.44Å; L506-Q510 HydrophobicContact CD2-CB 4.43Å; N507-Q510 PolarHBondContact O-N 2.97Å; N507-Q510 WeakPolarHBondContact OD1-CB 3.34Å; N507-Q510 VanDerWaalsContact OD1-CD 3.3Å; N507-Q510 WeakPolarHBondContact OD1-CG 3.38Å; N507-Q510 PolarHBondContact OD1-N 3.09Å; N507-Q510 PolarHBondContact OD1-OE1 3.35Å; K508-Q510 PolarHBondContact O-N 3.41Å; Q510-L514 VanDerWaalsContact O-CG 3.31Å; Q510-L514 WeakPolarHBondContact O-CG 3.48Å; Q510-L514 PolarHBondContact O-N 2.86Å; Q510-L514 VanDerWaalsContact O-N 3.12Å; Q510-M572 WeakPolarHBondContact CG-O 3.49Å; Q510-M572 PolarHBondContact NE2-O 2.91Å; Q510-F574 HydrophobicContact CB-CB 4.04Å; Q510-F574 HydrophobicContact CB-CD2 4.05Å; Q510-F574 HydrophobicContact CB-CG 4.49Å; Q510-F574 HydrophobicContact CG-CB 4.13Å; Q510-F574 HydrophobicContact CG-CD2 4.1Å
511L89.3Confident83.5Confident25 Ų2547.6 Ų47.613%0.13125%0.248CC..Hα-helixtrans-66.2-43.3176.1-70173.2000111W487 L506 N507 K508 M513 L514 G515W487-L511 VanDerWaalsContact CZ2-O 3.25Å; W487-L511 WeakPolarHBondContact CZ2-O 3.48Å; L506-L511 HydrophobicContact CB-CD2 3.86Å; L506-L511 HydrophobicContact CB-CG 3.94Å; L506-L511 HydrophobicContact CD1-CD2 3.7Å; L506-L511 HydrophobicContact CG-CD2 4.44Å; N507-L511 WeakPolarHBondContact O-CG 3.35Å; N507-L511 PolarHBondContact O-N 2.97Å; K508-L511 PolarHBondContact O-N 3.35Å; L511-M513 VanDerWaalsContact C-N 3.32Å; L511-M513 PolarHBondContact O-N 3.32Å; L511-L514 PolarHBondContact O-N 3.08Å; L511-L514 VanDerWaalsContact O-N 3.13Å; L511-G515 PolarHBondContact O-N 3.21Å
512D87.1Confident82.1Confident80 Ų8053.6 Ų53.643%0.42828%0.276SS..Hα-helixtrans-59-44.6178.6-68.3-23.1000110.9K508 E509 L514 G515 E516K508-D512 WeakPolarHBondContact O-CB 3.42Å; K508-D512 PolarHBondContact O-N 3.07Å; E509-D512 PolarHBondContact O-N 3.38Å; D512-L514 PolarHBondContact O-N 3.16Å; D512-G515 PolarHBondContact O-N 3.36Å; D512-E516 WeakPolarHBondContact O-CG 3.37Å; D512-E516 PolarHBondContact O-N 3.12Å
513M89.6Confident80.7Confident18 Ų1855.1 Ų55.19%0.08929%0.289CS..Hα-helixtrans-61.5-42.7174.7-174-81.3-160.900112.6E509 L511 G515 E516 K517 F574 E598E509-M513 PolarHBondContact O-N 3.16Å; E509-M513 VanDerWaalsContact O-N 3.12Å; L511-M513 VanDerWaalsContact C-N 3.32Å; L511-M513 PolarHBondContact O-N 3.32Å; M513-G515 VanDerWaalsContact C-N 3.31Å; M513-G515 PolarHBondContact O-N 3.4Å; M513-E516 PolarHBondContact O-N 3.4Å; M513-K517 WeakPolarHBondContact O-CB 3.4Å; M513-K517 PolarHBondContact O-N 3.18Å; M513-F574 HydrophobicContact CB-CB 4.46Å; M513-F574 HydrophobicContact SD-CB 4.01Å; M513-E598 HydrophobicContact CE-CG 4.15Å
514L89.5Confident79.4Confident0 Ų059 Ų590%031%0.31CS..Hα-helixtrans-65.3-36.9175.9-71.2174.3000111.9W487 L506 Q510 L511 D512 K517 L518 F547 W550 L551 F574W487-L514 HydrophobicContact CH2-CB 4Å; W487-L514 HydrophobicContact CZ2-CB 4.41Å; L506-L514 HydrophobicContact CD1-CD1 3.66Å; Q510-L514 VanDerWaalsContact O-CG 3.31Å; Q510-L514 WeakPolarHBondContact O-CG 3.48Å; Q510-L514 PolarHBondContact O-N 2.86Å; Q510-L514 VanDerWaalsContact O-N 3.12Å; L511-L514 PolarHBondContact O-N 3.08Å; L511-L514 VanDerWaalsContact O-N 3.13Å; D512-L514 PolarHBondContact O-N 3.16Å; L514-K517 PolarHBondContact O-N 2.72Å; L514-L518 PolarHBondContact O-N 3.16Å; L514-L518 VanDerWaalsContact O-N 3.12Å; L514-F547 HydrophobicContact CB-CZ 4.48Å; L514-F547 HydrophobicContact CD2-CE2 3.99Å; L514-F547 HydrophobicContact CD2-CZ 3.99Å; L514-W550 HydrophobicContact CD2-CH2 4.01Å; L514-W550 HydrophobicContact CD2-CZ3 3.71Å; L514-L551 HydrophobicContact CD1-CD1 4.47Å; L514-L551 HydrophobicContact CD2-CD1 4.24Å; L514-F574 HydrophobicContact CD1-CD1 4.4Å; L514-F574 HydrophobicContact CD1-CD2 4.42Å; L514-F574 HydrophobicContact CD1-CG 4.33Å; L514-F574 HydrophobicContact CD2-CD1 3.54Å; L514-F574 HydrophobicContact CD2-CE1 3.81Å; L514-F574 HydrophobicContact CD2-CG 4.15Å; L514-F574 HydrophobicContact CG-CB 4.44Å; L514-F574 HydrophobicContact CG-CD1 4.05Å; L514-F574 HydrophobicContact CG-CG 4.14Å
515G85.9Confident77.6Confident1 Ų161.1 Ų61.11%0.0133%0.332CS..Hα-helixtrans-63.6-50.1174.900000111.3W487 L511 D512 M513 K517 L518 L519W487-G515 VanDerWaalsContact CZ2-N 3.33Å; L511-G515 PolarHBondContact O-N 3.21Å; D512-G515 PolarHBondContact O-N 3.36Å; M513-G515 VanDerWaalsContact C-N 3.31Å; M513-G515 PolarHBondContact O-N 3.4Å; G515-K517 PolarHBondContact O-N 3.47Å; G515-L518 PolarHBondContact O-N 3.28Å; G515-L518 VanDerWaalsContact O-N 3.15Å; G515-L519 VanDerWaalsContact O-CB 3.27Å; G515-L519 WeakPolarHBondContact O-CB 3.44Å; G515-L519 PolarHBondContact O-N 3.33Å
516E85.8Confident75.9Confident94 Ų9463.1 Ų63.144%0.43935%0.353SS..Hα-helixtrans-57.1-37.8173.5-73.8-177.7173.400112.1D512 M513 L518 G520 A523D512-E516 WeakPolarHBondContact O-CG 3.37Å; D512-E516 PolarHBondContact O-N 3.12Å; M513-E516 PolarHBondContact O-N 3.4Å; E516-L518 PolarHBondContact O-N 3.41Å; E516-G520 CarbonylContact O-C 3.45Å; E516-G520 WeakPolarHBondContact O-CA 3.41Å; E516-G520 PolarHBondContact O-N 3.49Å; E516-A523 HydrophobicContact CG-CB 4.15Å
517K85.3Confident74.7Confident48 Ų4868 Ų6821%0.20938%0.379CS..Hα-helixtrans-68-34.1178.7-166.8174.8-173.367.30113.2M513 L514 G515 F547 W550 E598M513-K517 WeakPolarHBondContact O-CB 3.4Å; M513-K517 PolarHBondContact O-N 3.18Å; L514-K517 PolarHBondContact O-N 2.72Å; G515-K517 PolarHBondContact O-N 3.47Å; K517-F547 HydrophobicContact CD-CE2 4.42Å; K517-W550 HydrophobicContact CD-CE3 4.28Å; K517-W550 HydrophobicContact CD-CH2 3.63Å; K517-W550 HydrophobicContact CD-CZ3 3.5Å; K517-W550 VanDerWaalsContact CD-CZ3 3.5Å; K517-E598 IonicContact NZ-OE2 2.65Å; K517-E598 PolarHBondContact NZ-OE2 3Å
518L82.9Confident74.1Confident18 Ų1869.4 Ų69.49%0.09438%0.381CS..Hα-helixtrans-86-36.4179.2-84.1170.5000113.5W487 L490 L514 G515 E516 F547W487-L518 HydrophobicContact CE3-CD1 4.38Å; W487-L518 HydrophobicContact CH2-CD1 4.24Å; W487-L518 HydrophobicContact CZ3-CD1 3.54Å; L490-L518 HydrophobicContact CD2-CD1 4.46Å; L514-L518 PolarHBondContact O-N 3.16Å; L514-L518 VanDerWaalsContact O-N 3.12Å; G515-L518 PolarHBondContact O-N 3.28Å; G515-L518 VanDerWaalsContact O-N 3.15Å; E516-L518 PolarHBondContact O-N 3.41Å; L518-F547 HydrophobicContact CD1-CD1 3.96Å; L518-F547 HydrophobicContact CD1-CD2 4.26Å; L518-F547 HydrophobicContact CD1-CE1 3.56Å; L518-F547 HydrophobicContact CD1-CE2 3.87Å; L518-F547 HydrophobicContact CD1-CG 4.3Å; L518-F547 HydrophobicContact CD1-CZ 3.5Å; L518-F547 VanDerWaalsContact CD1-CZ 3.5Å; L518-F547 HydrophobicContact CD2-CB 3.85Å; L518-F547 HydrophobicContact CD2-CD1 3.78Å; L518-F547 HydrophobicContact CD2-CD2 3.69Å; L518-F547 HydrophobicContact CD2-CE1 4.25Å; L518-F547 HydrophobicContact CD2-CE2 4.15Å; L518-F547 HydrophobicContact CD2-CG 3.48Å; L518-F547 VanDerWaalsContact CD2-CG 3.48Å; L518-F547 HydrophobicContact CD2-CZ 4.4Å; L518-F547 HydrophobicContact CG-CD1 4.11Å; L518-F547 HydrophobicContact CG-CD2 3.69Å; L518-F547 HydrophobicContact CG-CE1 4.08Å; L518-F547 HydrophobicContact CG-CE2 3.63Å; L518-F547 HydrophobicContact CG-CG 3.93Å; L518-F547 HydrophobicContact CG-CZ 3.82Å
519L79.9Confident74Confident44 Ų4468.4 Ų68.423%0.2338%0.378CS..Hα-helixtrans-105.6-19.7-170.7-61.7169.4000113.1W487 G515 Y528 V530W487-L519 HydrophobicContact CB-CD1 4.22Å; W487-L519 HydrophobicContact CD2-CD1 4.42Å; W487-L519 HydrophobicContact CG-CD1 4.17Å; G515-L519 VanDerWaalsContact O-CB 3.27Å; G515-L519 WeakPolarHBondContact O-CB 3.44Å; G515-L519 PolarHBondContact O-N 3.33Å; L519-Y528 HydrophobicContact CD1-CD2 4.4Å; L519-Y528 HydrophobicContact CD1-CG 4.39Å; L519-V530 HydrophobicContact CD2-CG2 3.87Å
520G75.6Confident74.1Confident32 Ų3262.1 Ų62.133%0.3335%0.349SS..  trans90.2-179.6-173.200000113.5E516 H522 A523E516-G520 CarbonylContact O-C 3.45Å; E516-G520 WeakPolarHBondContact O-CA 3.41Å; E516-G520 PolarHBondContact O-N 3.49Å; G520-H522 PolarHBondContact O-N 3.02Å; G520-A523 PolarHBondContact O-N 2.91Å
521Q60.1Low74.1Confident155 Ų15563.3 Ų63.372%0.72436%0.358SS*.THydrogen-bonded Turntrans-61.63.2-179-76.9176.9-17.200115.4
522H51.2Low74.2Confident152 Ų15262.5 Ų62.570%0.70435%0.353SS*.THydrogen-bonded Turntrans-103.415.8178.1-62.8-59000113.4G520 S524 Y528G520-H522 PolarHBondContact O-N 3.02Å; H522-S524 PolarHBondContact O-N 2.74Å; H522-Y528 VanDerWaalsContact O-CE2 3.26Å; H522-Y528 WeakPolarHBondContact O-CE2 3.25Å; H522-Y528 PolarHBondContact O-OH 3Å; H522-Y528 VanDerWaalsContact O-OH 3.08Å
523A51.8Low74.3Confident34 Ų3460.7 Ų60.728%0.28135%0.347SS..THydrogen-bonded Turntrans-64.5-7.9-176.200000115.4E516 G520 C525E516-A523 HydrophobicContact CG-CB 4.15Å; G520-A523 PolarHBondContact O-N 2.91Å; A523-C525 PolarHBondContact O-N 2.98Å
524S47.9Very low74.2Confident118 Ų11864.7 Ų64.783%0.82536%0.364SS*.THydrogen-bonded Turntrans-844.5-169.6420000116.2H522H522-S524 PolarHBondContact O-N 2.74Å
525C45.2Very low74.2Confident99 Ų9964.8 Ų64.867%0.66936%0.364SS*.SBendtrans-141.777.9-175.8-160.80000114.9A523 Y528A523-C525 PolarHBondContact O-N 2.98Å; C525-Y528 VanDerWaalsContact C-CE2 3.42Å; C525-Y528 VanDerWaalsContact O-CE2 3.22Å; C525-Y528 WeakPolarHBondContact O-CE2 3.33Å; C525-Y528 PolarHBondContact O-OH 3.21Å
526G51.6Low74.3Confident61 Ų6165.8 Ų65.863%0.62937%0.373SS*.SBendtrans114.6168.3163.800000116.2Y528G526-Y528 WeakPolarHBondContact O-CD2 3.36Å; G526-Y528 PolarHBondContact O-N 3.11Å
527D62.8Low74.3Confident117 Ų11766.4 Ų66.463%0.62637%0.374SS*.  trans-6777.8173.8-93.9-37.7000110.5S488S488-D527 VanDerWaalsContact CB-OD1 3.26Å; S488-D527 WeakPolarHBondContact CB-OD1 3.38Å; S488-D527 PolarHBondContact OG-OD1 3.46Å
528Y73.6Confident74.4Confident84 Ų8468.9 Ų68.933%0.32939%0.386SS..PPolyproline II helixtrans-66.9142.4175.6-68.6-76.6000111.1W487 L519 H522 C525 G526W487-Y528 PolarHBondContact N-O 2.85Å; L519-Y528 HydrophobicContact CD1-CD2 4.4Å; L519-Y528 HydrophobicContact CD1-CG 4.39Å; H522-Y528 VanDerWaalsContact O-CE2 3.26Å; H522-Y528 WeakPolarHBondContact O-CE2 3.25Å; H522-Y528 PolarHBondContact O-OH 3Å; H522-Y528 VanDerWaalsContact O-OH 3.08Å; C525-Y528 VanDerWaalsContact C-CE2 3.42Å; C525-Y528 VanDerWaalsContact O-CE2 3.22Å; C525-Y528 WeakPolarHBondContact O-CE2 3.33Å; C525-Y528 PolarHBondContact O-OH 3.21Å; G526-Y528 WeakPolarHBondContact O-CD2 3.36Å; G526-Y528 PolarHBondContact O-N 3.11Å
529Q83.9Confident74.6Confident119 Ų11972.5 Ų72.556%0.55641%0.406SS*.EExtended strand (participates in β ladder)trans-97.9127-178.9-71-163.5-18.900112.2R484 A485R484-Q529 HydrophobicContact CB-CB 3.83Å; R484-Q529 HydrophobicContact CB-CG 4.44Å; A485-Q529 CarbonylContact O-C 3.6Å; A485-Q529 VanDerWaalsContact O-CA 3.25Å; A485-Q529 WeakPolarHBondContact O-CA 3.31Å
530V87Confident74.8Confident1 Ų171.4 Ų71.41%0.00640%0.4CS..EExtended strand (participates in β ladder)trans-95.5130.5176.7-176.10000109.7W465 R484 A485 W487 L490 L519 F535W465-V530 HydrophobicContact CH2-CB 4.23Å; W465-V530 HydrophobicContact CH2-CG1 4.04Å; W465-V530 WeakPolarHBondContact CZ2-O 3.24Å; R484-V530 CarbonylContact C-O 2.99Å; R484-V530 VanDerWaalsContact CA-O 3.28Å; R484-V530 WeakPolarHBondContact CA-O 3.27Å; R484-V530 WeakPolarHBondContact CB-O 3.31Å; A485-V530 PolarHBondContact N-O 3.38Å; A485-V530 PolarHBondContact O-N 3.45Å; W487-V530 HydrophobicContact CE3-CG2 4.31Å; L490-V530 HydrophobicContact CD2-CB 4.16Å; L490-V530 HydrophobicContact CD2-CG1 4.19Å; L490-V530 HydrophobicContact CD2-CG2 4.12Å; L519-V530 HydrophobicContact CD2-CG2 3.87Å; V530-F535 HydrophobicContact CG1-CB 4.35Å
531S90.3Very high75Confident29 Ų2975.9 Ų75.920%0.20342%0.423CS..PPolyproline II helixtrans-85150.8174.164.30000111.8S533 K534 F535S531-S533 PolarHBondContact O-N 3.45Å; S531-K534 PolarHBondContact O-N 3.29Å; S531-K534 WeakPolarHBondContact OG-CG 3.34Å; S531-K534 PolarHBondContact OG-N 3.44Å; S531-F535 PolarHBondContact O-N 3.11Å
532W91.2Very high75.9Confident8 Ų872.3 Ų72.33%0.0343%0.428CS..Hα-helixtrans-53-42.1173.9171.3-117000112.7E420 A461 S462 W465 F479 P482 K534 F535 A536E420-W532 HydrophobicContact CG-CZ2 4.18Å; E420-W532 PolarHBondContact OE1-NE1 3.49Å; A461-W532 HydrophobicContact CB-CH2 3.71Å; A461-W532 HydrophobicContact CB-CZ3 4.01Å; A461-W532 WeakPolarHBondContact O-CZ3 3.35Å; S462-W532 WeakPolarHBondContact OG-CH2 3.44Å; S462-W532 WeakPolarHBondContact OG-CZ2 3.44Å; W465-W532 HydrophobicContact CB-CE3 3.74Å; W465-W532 HydrophobicContact CB-CZ3 3.61Å; W465-W532 AromaticContact CD1-CE3 3.84Å; W465-W532 AromaticContact CD2-CE3 3.57Å; W465-W532 HydrophobicContact CD2-CE3 3.57Å; W465-W532 HydrophobicContact CD2-CZ3 4.17Å; W465-W532 HydrophobicContact CE3-CE3 4.03Å; W465-W532 HydrophobicContact CE3-CZ3 4.38Å; W465-W532 HydrophobicContact CG-CD2 4.35Å; W465-W532 AromaticContact CG-CE3 3.42Å; W465-W532 HydrophobicContact CG-CE3 3.42Å; W465-W532 VanDerWaalsContact CG-CE3 3.42Å; W465-W532 AromaticContact CG-CZ3 3.85Å; W465-W532 HydrophobicContact CG-CZ3 3.85Å; W465-W532 HydrophobicContact CZ2-CB 4.38Å; F479-W532 HydrophobicContact CD1-CD2 4.27Å; F479-W532 AromaticContact CD1-CE2 3.83Å; F479-W532 HydrophobicContact CD1-CG 4.49Å; F479-W532 HydrophobicContact CD1-CZ2 4.16Å; F479-W532 AromaticContact CD1-NE1 3.77Å; F479-W532 AromaticContact CE1-CD2 3.86Å; F479-W532 HydrophobicContact CE1-CD2 3.86Å; F479-W532 AromaticContact CE1-CE2 3.61Å; F479-W532 HydrophobicContact CE1-CE3 4.15Å; F479-W532 HydrophobicContact CE1-CG 4.45Å; F479-W532 AromaticContact CE1-CH2 3.99Å; F479-W532 HydrophobicContact CE1-CH2 3.99Å; F479-W532 AromaticContact CE1-CZ2 3.69Å; F479-W532 HydrophobicContact CE1-CZ2 3.69Å; F479-W532 HydrophobicContact CE1-CZ3 4.21Å; F479-W532 HydrophobicContact CZ-CH2 4.47Å; F479-W532 HydrophobicContact CZ-CZ2 4.44Å; P482-W532 HydrophobicContact CB-CB 3.81Å; P482-W532 HydrophobicContact CB-CG 4.17Å; P482-W532 HydrophobicContact CG-CB 3.64Å; P482-W532 HydrophobicContact CG-CG 3.95Å; W532-K534 PolarHBondContact O-N 3.27Å; W532-F535 HydrophobicContact CE3-CD1 4.23Å; W532-F535 HydrophobicContact CZ3-CD1 4.04Å; W532-F535 HydrophobicContact CZ3-CE1 4.49Å; W532-F535 PolarHBondContact O-N 3.35Å; W532-A536 HydrophobicContact CD2-CB 4.25Å; W532-A536 HydrophobicContact CE3-CB 4.05Å; W532-A536 HydrophobicContact CH2-CB 3.61Å; W532-A536 HydrophobicContact CZ2-CB 3.82Å; W532-A536 HydrophobicContact CZ3-CB 3.73Å; W532-A536 PolarHBondContact O-N 3.27Å
533S88.4Confident77.5Confident43 Ų4368.1 Ų68.130%0.30141%0.408SS..Iπ-helixtrans-59.7-47.6179.8-55.90000111.9S531 F535 K537 E538S531-S533 PolarHBondContact O-N 3.45Å; S533-F535 VanDerWaalsContact C-N 3.28Å; S533-F535 PolarHBondContact O-N 3.41Å; S533-K537 CarbonylContact O-C 3.57Å; S533-K537 WeakPolarHBondContact O-CA 3.45Å; S533-K537 PolarHBondContact O-N 3.38Å; S533-E538 VanDerWaalsContact CB-OE1 3.26Å; S533-E538 WeakPolarHBondContact CB-OE1 3.3Å; S533-E538 PolarHBondContact O-N 3.46Å
534K87.6Confident79.1Confident102 Ų10271.8 Ų71.844%0.44343%0.428SS..Iπ-helixtrans-63.4-34177.8-76.5-174.2173.5-168.40113.2S531 W532 E538S531-K534 PolarHBondContact O-N 3.29Å; S531-K534 WeakPolarHBondContact OG-CG 3.34Å; S531-K534 PolarHBondContact OG-N 3.44Å; W532-K534 PolarHBondContact O-N 3.27Å; K534-E538 WeakPolarHBondContact CG-OE2 3.4Å
535F89.5Confident81Confident1 Ų166.8 Ų66.80%0.00439%0.392CS..Iπ-helixtrans-74.3-47-178.3-178.8-106000112.8A461 M464 W465 L490 L494 V530 S531 W532 S533 F547 W548A461-F535 HydrophobicContact CB-CE1 4.21Å; M464-F535 HydrophobicContact CE-CE1 4.36Å; M464-F535 HydrophobicContact CE-CZ 4.22Å; W465-F535 HydrophobicContact CE3-CB 4.44Å; W465-F535 AromaticContact CE3-CD1 3.65Å; W465-F535 HydrophobicContact CE3-CD1 3.65Å; W465-F535 HydrophobicContact CE3-CE1 4Å; W465-F535 HydrophobicContact CE3-CG 4.03Å; W465-F535 HydrophobicContact CH2-CB 4.02Å; W465-F535 HydrophobicContact CH2-CG 4.27Å; W465-F535 HydrophobicContact CZ3-CB 3.75Å; W465-F535 AromaticContact CZ3-CD1 3.66Å; W465-F535 HydrophobicContact CZ3-CD1 3.66Å; W465-F535 AromaticContact CZ3-CD2 3.96Å; W465-F535 HydrophobicContact CZ3-CD2 3.96Å; W465-F535 HydrophobicContact CZ3-CE1 4.21Å; W465-F535 HydrophobicContact CZ3-CE2 4.47Å; W465-F535 AromaticContact CZ3-CG 3.51Å; W465-F535 HydrophobicContact CZ3-CG 3.51Å; L490-F535 HydrophobicContact CD1-CE2 4.07Å; L490-F535 HydrophobicContact CD1-CZ 4.42Å; L490-F535 HydrophobicContact CD2-CD2 4.16Å; L490-F535 HydrophobicContact CD2-CE2 4.34Å; L494-F535 HydrophobicContact CD2-CE2 4.28Å; V530-F535 HydrophobicContact CG1-CB 4.35Å; S531-F535 PolarHBondContact O-N 3.11Å; W532-F535 HydrophobicContact CE3-CD1 4.23Å; W532-F535 HydrophobicContact CZ3-CD1 4.04Å; W532-F535 HydrophobicContact CZ3-CE1 4.49Å; W532-F535 PolarHBondContact O-N 3.35Å; S533-F535 VanDerWaalsContact C-N 3.28Å; S533-F535 PolarHBondContact O-N 3.41Å; F535-F547 AromaticContact CD2-CD1 3.86Å; F535-F547 HydrophobicContact CD2-CD1 3.86Å; F535-F547 HydrophobicContact CD2-CE1 4.19Å; F535-F547 AromaticContact CE2-CD1 3.99Å; F535-F547 HydrophobicContact CE2-CD1 3.99Å; F535-F547 HydrophobicContact CE2-CE1 4Å; F535-W548 HydrophobicContact CD1-CB 4.32Å; F535-W548 HydrophobicContact CE1-CB 3.98Å; F535-W548 HydrophobicContact CE1-CD2 4.15Å; F535-W548 HydrophobicContact CE1-CE3 4.13Å; F535-W548 HydrophobicContact CE1-CG 4.08Å; F535-W548 HydrophobicContact CE2-CB 4.49Å; F535-W548 HydrophobicContact CE2-CE3 4.05Å; F535-W548 HydrophobicContact CZ-CB 4.08Å; F535-W548 AromaticContact CZ-CD2 3.87Å; F535-W548 HydrophobicContact CZ-CD2 3.87Å; F535-W548 AromaticContact CZ-CE3 3.39Å; F535-W548 HydrophobicContact CZ-CE3 3.39Å; F535-W548 HydrophobicContact CZ-CG 4.16Å; F535-W548 HydrophobicContact CZ-CZ3 4.23Å; F535-W548 WeakPolarHBondContact O-CB 3.23Å; F535-W548 PolarHBondContact O-N 3.49Å
536A88.9Confident83.2Confident23 Ų2362.5 Ų62.519%0.1936%0.363CS..Iπ-helixtrans-121.6-26.7-16800000115.8A461 W532 S546A461-A536 HydrophobicContact CB-CB 4.3Å; W532-A536 HydrophobicContact CD2-CB 4.25Å; W532-A536 HydrophobicContact CE3-CB 4.05Å; W532-A536 HydrophobicContact CH2-CB 3.61Å; W532-A536 HydrophobicContact CZ2-CB 3.82Å; W532-A536 HydrophobicContact CZ3-CB 3.73Å; W532-A536 PolarHBondContact O-N 3.27Å; A536-S546 VanDerWaalsContact O-CB 3.25Å; A536-S546 WeakPolarHBondContact O-CB 3.48Å; A536-S546 PolarHBondContact O-OG 3.49Å
537K84.9Confident85.1Confident106 Ų10659.8 Ų59.846%0.46133%0.334SS..Iπ-helixtrans-100.4-49.8-173.1-65.5-168.8170.4179.50114.4E420 S533E420-K537 WeakPolarHBondContact OE1-CE 3.19Å; E420-K537 IonicContact OE1-NZ 3.82Å; E420-K537 PolarHBondContact OE1-NZ 2.72Å; E420-K537 IonicContact OE2-NZ 3.65Å; E420-K537 PolarHBondContact OE2-NZ 3.42Å; S533-K537 CarbonylContact O-C 3.57Å; S533-K537 WeakPolarHBondContact O-CA 3.45Å; S533-K537 PolarHBondContact O-N 3.38Å
538E87.3Confident86.6Confident100 Ų10054.3 Ų54.347%0.46730%0.304SS..SBendtrans-73.2137.7-175.3-70171.9-155.400109.4S533 K534 S546S533-E538 VanDerWaalsContact CB-OE1 3.26Å; S533-E538 WeakPolarHBondContact CB-OE1 3.3Å; S533-E538 PolarHBondContact O-N 3.46Å; K534-E538 WeakPolarHBondContact CG-OE2 3.4Å; E538-S546 WeakPolarHBondContact O-CA 3.44Å; E538-S546 WeakPolarHBondContact O-CB 2.98Å
539N87.4Confident87.4Confident95 Ų9553.4 Ų53.451%0.50830%0.304SS..BIsolated β-bridgetrans-73.3143.3173.3-72.7-21.6000109.8K543 F545N539-K543 WeakPolarHBondContact CB-O 3.1Å; N539-F545 WeakPolarHBondContact CA-O 3.35Å; N539-F545 VanDerWaalsContact OD1-C 3.32Å; N539-F545 WeakPolarHBondContact OD1-CA 3.49Å
540I83.9Confident87.8Confident21 Ų2147.8 Ų47.811%0.10828%0.278CS..PPolyproline II helixtrans-59.6138.3172.7-54.2174.4000108G542 K543 F545 F547 W550I540-G542 PolarHBondContact O-N 3.01Å; I540-G542 VanDerWaalsContact O-N 3.12Å; I540-K543 HydrophobicContact CB-CB 4.16Å; I540-K543 HydrophobicContact CB-CG 4.28Å; I540-K543 HydrophobicContact CG2-CG 4.41Å; I540-K543 PolarHBondContact O-N 3.49Å; I540-F545 HydrophobicContact CD1-CD2 4.13Å; I540-F545 HydrophobicContact CD1-CE2 3.9Å; I540-F545 PolarHBondContact N-O 2.88Å; I540-F547 HydrophobicContact CD1-CB 4.48Å; I540-F547 HydrophobicContact CG1-CB 4.4Å; I540-W550 HydrophobicContact CD1-CB 4.4Å; I540-W550 HydrophobicContact CD1-CE3 4.49Å
541P81.3Confident88.1Confident125 Ų12547.7 Ų47.781%0.81228%0.277SS*.THydrogen-bonded Turntrans-49.3121.7-179.5-29.635.5000112.5
542G78Confident88.1Confident81 Ų8147 Ų4784%0.83527%0.271SS*.THydrogen-bonded Turntrans7713.8-179.400000115.8I540I540-G542 PolarHBondContact O-N 3.01Å; I540-G542 VanDerWaalsContact O-N 3.12Å
543K84.8Confident88.1Confident64 Ų6447.9 Ų47.928%0.27828%0.279SS..SBendtrans-128.6154.7178.2-56.6-63.1171.7-1630112N539 I540 F545 E598 S599N539-K543 WeakPolarHBondContact CB-O 3.1Å; I540-K543 HydrophobicContact CB-CB 4.16Å; I540-K543 HydrophobicContact CB-CG 4.28Å; I540-K543 HydrophobicContact CG2-CG 4.41Å; I540-K543 PolarHBondContact O-N 3.49Å; K543-F545 VanDerWaalsContact C-N 3.32Å; K543-F545 HydrophobicContact CB-CD1 4.47Å; K543-F545 HydrophobicContact CB-CD2 4.44Å; K543-F545 HydrophobicContact CB-CE1 4.18Å; K543-F545 HydrophobicContact CB-CE2 4.16Å; K543-F545 HydrophobicContact CB-CZ 4.03Å; K543-F545 HydrophobicContact CD-CZ 4.25Å; K543-F545 HydrophobicContact CG-CE2 4.43Å; K543-F545 HydrophobicContact CG-CZ 4.16Å; K543-F545 PolarHBondContact O-N 2.63Å; K543-E598 WeakPolarHBondContact CE-O 3.04Å; K543-S599 VanDerWaalsContact NZ-CB 3.33Å; K543-S599 PolarHBondContact NZ-OG 3.46Å
544P86.4Confident88.3Confident110 Ų11045.9 Ų45.971%0.71426%0.264SS*.SBendtrans-89.813.2-178.635.8-35.9000114.2
545F87.8Confident88.5Confident14 Ų1441.3 Ų41.36%0.06125%0.245CC..SBendtrans-139156.7-174.351.2-104.3000112N539 I540 K543 W550 L601N539-F545 WeakPolarHBondContact CA-O 3.35Å; N539-F545 VanDerWaalsContact OD1-C 3.32Å; N539-F545 WeakPolarHBondContact OD1-CA 3.49Å; I540-F545 HydrophobicContact CD1-CD2 4.13Å; I540-F545 HydrophobicContact CD1-CE2 3.9Å; I540-F545 PolarHBondContact N-O 2.88Å; K543-F545 VanDerWaalsContact C-N 3.32Å; K543-F545 HydrophobicContact CB-CD1 4.47Å; K543-F545 HydrophobicContact CB-CD2 4.44Å; K543-F545 HydrophobicContact CB-CE1 4.18Å; K543-F545 HydrophobicContact CB-CE2 4.16Å; K543-F545 HydrophobicContact CB-CZ 4.03Å; K543-F545 HydrophobicContact CD-CZ 4.25Å; K543-F545 HydrophobicContact CG-CE2 4.43Å; K543-F545 HydrophobicContact CG-CZ 4.16Å; K543-F545 PolarHBondContact O-N 2.63Å; F545-W550 HydrophobicContact CD2-CB 3.7Å; F545-W550 HydrophobicContact CD2-CG 4.39Å; F545-W550 HydrophobicContact CE2-CB 3.63Å; F545-W550 AromaticContact CE2-CD1 3.77Å; F545-W550 AromaticContact CE2-CG 3.81Å; F545-W550 HydrophobicContact CE2-CG 3.81Å; F545-L601 HydrophobicContact CB-CD1 4.39Å; F545-L601 HydrophobicContact CB-CD2 3.78Å; F545-L601 HydrophobicContact CB-CG 4.34Å; F545-L601 HydrophobicContact CD1-CD1 4.19Å; F545-L601 HydrophobicContact CD1-CD2 3.64Å; F545-L601 HydrophobicContact CD1-CG 3.59Å; F545-L601 HydrophobicContact CD2-CD2 3.8Å; F545-L601 HydrophobicContact CE1-CD2 4.13Å; F545-L601 HydrophobicContact CE1-CG 3.99Å; F545-L601 HydrophobicContact CE2-CD2 4.26Å; F545-L601 HydrophobicContact CG-CD1 4.49Å; F545-L601 HydrophobicContact CG-CD2 3.45Å; F545-L601 VanDerWaalsContact CG-CD2 3.45Å; F545-L601 HydrophobicContact CG-CG 3.95Å; F545-L601 HydrophobicContact CZ-CD2 4.41Å
546S90.8Very high88.5Confident9 Ų944.6 Ų44.66%0.06326%0.26CS..BIsolated β-bridgetrans-81.1163.5176.767.20000112.9A536 E538 W548 M549 W550A536-S546 VanDerWaalsContact O-CB 3.25Å; A536-S546 WeakPolarHBondContact O-CB 3.48Å; A536-S546 PolarHBondContact O-OG 3.49Å; E538-S546 WeakPolarHBondContact O-CA 3.44Å; E538-S546 WeakPolarHBondContact O-CB 2.98Å; S546-W548 PolarHBondContact O-N 3.27Å; S546-M549 PolarHBondContact O-N 3.09Å; S546-M549 WeakPolarHBondContact OG-CG 3.48Å; S546-W550 PolarHBondContact O-N 2.66Å; S546-W550 VanDerWaalsContact O-N 3.16Å
547F91.7Very high88.7Confident3 Ų343.8 Ų43.81%0.01325%0.253CS..Hα-helixtrans-57.2-50-179.3174.5-92000112.6L494 L514 K517 L518 F535 I540 M549 W550 L551L494-F547 HydrophobicContact CD1-CE1 4.29Å; L494-F547 HydrophobicContact CD1-CZ 4.38Å; L514-F547 HydrophobicContact CB-CZ 4.48Å; L514-F547 HydrophobicContact CD2-CE2 3.99Å; L514-F547 HydrophobicContact CD2-CZ 3.99Å; K517-F547 HydrophobicContact CD-CE2 4.42Å; L518-F547 HydrophobicContact CD1-CD1 3.96Å; L518-F547 HydrophobicContact CD1-CD2 4.26Å; L518-F547 HydrophobicContact CD1-CE1 3.56Å; L518-F547 HydrophobicContact CD1-CE2 3.87Å; L518-F547 HydrophobicContact CD1-CG 4.3Å; L518-F547 HydrophobicContact CD1-CZ 3.5Å; L518-F547 VanDerWaalsContact CD1-CZ 3.5Å; L518-F547 HydrophobicContact CD2-CB 3.85Å; L518-F547 HydrophobicContact CD2-CD1 3.78Å; L518-F547 HydrophobicContact CD2-CD2 3.69Å; L518-F547 HydrophobicContact CD2-CE1 4.25Å; L518-F547 HydrophobicContact CD2-CE2 4.15Å; L518-F547 HydrophobicContact CD2-CG 3.48Å; L518-F547 VanDerWaalsContact CD2-CG 3.48Å; L518-F547 HydrophobicContact CD2-CZ 4.4Å; L518-F547 HydrophobicContact CG-CD1 4.11Å; L518-F547 HydrophobicContact CG-CD2 3.69Å; L518-F547 HydrophobicContact CG-CE1 4.08Å; L518-F547 HydrophobicContact CG-CE2 3.63Å; L518-F547 HydrophobicContact CG-CG 3.93Å; L518-F547 HydrophobicContact CG-CZ 3.82Å; F535-F547 AromaticContact CD2-CD1 3.86Å; F535-F547 HydrophobicContact CD2-CD1 3.86Å; F535-F547 HydrophobicContact CD2-CE1 4.19Å; F535-F547 AromaticContact CE2-CD1 3.99Å; F535-F547 HydrophobicContact CE2-CD1 3.99Å; F535-F547 HydrophobicContact CE2-CE1 4Å; I540-F547 HydrophobicContact CD1-CB 4.48Å; I540-F547 HydrophobicContact CG1-CB 4.4Å; F547-M549 PolarHBondContact O-N 3.21Å; F547-W550 HydrophobicContact CD2-CE3 4.14Å; F547-W550 HydrophobicContact CD2-CZ3 4.24Å; F547-W550 HydrophobicContact CE2-CE3 4.2Å; F547-W550 AromaticContact CE2-CZ3 3.9Å; F547-W550 HydrophobicContact CE2-CZ3 3.9Å; F547-W550 WeakPolarHBondContact O-CB 3.21Å; F547-W550 PolarHBondContact O-N 2.92Å; F547-L551 HydrophobicContact CE1-CD2 4.09Å; F547-L551 HydrophobicContact CZ-CD2 4.31Å; F547-L551 PolarHBondContact O-N 3.39Å; F547-L551 VanDerWaalsContact O-N 3.08Å
548W92.9Very high88.9Confident2 Ų238.7 Ų38.71%0.00823%0.231CC..Hα-helixtrans-64.3-41.4-178.8176.7-103.9000112.9P457 W460 A461 M464 L494 Q497 F535 S546 W550 L551 D552 L555P457-W548 PolarHBondContact O-NE1 2.93Å; W460-W548 AromaticContact CD1-CZ2 3.53Å; A461-W548 VanDerWaalsContact CB-CD1 3.47Å; A461-W548 HydrophobicContact CB-CD2 4.46Å; A461-W548 HydrophobicContact CB-CG 3.91Å; M464-W548 HydrophobicContact CE-CD2 3.78Å; M464-W548 HydrophobicContact CE-CE3 3.73Å; M464-W548 HydrophobicContact CE-CH2 3.37Å; M464-W548 HydrophobicContact CE-CZ2 3.43Å; M464-W548 VanDerWaalsContact CE-CZ2 3.43Å; M464-W548 HydrophobicContact CE-CZ3 3.51Å; M464-W548 HydrophobicContact SD-CH2 3.9Å; M464-W548 HydrophobicContact SD-CZ2 4.36Å; M464-W548 HydrophobicContact SD-CZ3 4.18Å; L494-W548 HydrophobicContact CD2-CE3 4.36Å; L494-W548 HydrophobicContact CD2-CZ3 3.91Å; Q497-W548 HydrophobicContact CG-CH2 4.12Å; Q497-W548 HydrophobicContact CG-CZ3 4.46Å; F535-W548 HydrophobicContact CD1-CB 4.32Å; F535-W548 HydrophobicContact CE1-CB 3.98Å; F535-W548 HydrophobicContact CE1-CD2 4.15Å; F535-W548 HydrophobicContact CE1-CE3 4.13Å; F535-W548 HydrophobicContact CE1-CG 4.08Å; F535-W548 HydrophobicContact CE2-CB 4.49Å; F535-W548 HydrophobicContact CE2-CE3 4.05Å; F535-W548 HydrophobicContact CZ-CB 4.08Å; F535-W548 AromaticContact CZ-CD2 3.87Å; F535-W548 HydrophobicContact CZ-CD2 3.87Å; F535-W548 AromaticContact CZ-CE3 3.39Å; F535-W548 HydrophobicContact CZ-CE3 3.39Å; F535-W548 HydrophobicContact CZ-CG 4.16Å; F535-W548 HydrophobicContact CZ-CZ3 4.23Å; F535-W548 WeakPolarHBondContact O-CB 3.23Å; F535-W548 PolarHBondContact O-N 3.49Å; S546-W548 PolarHBondContact O-N 3.27Å; W548-W550 VanDerWaalsContact C-N 3.26Å; W548-W550 PolarHBondContact O-N 3.5Å; W548-L551 HydrophobicContact CE3-CD2 4.28Å; W548-L551 HydrophobicContact CZ3-CD2 4.03Å; W548-L551 PolarHBondContact O-N 2.84Å; W548-L551 VanDerWaalsContact O-N 3.16Å; W548-D552 HydrophobicContact CZ2-CB 3.86Å; W548-D552 WeakPolarHBondContact O-CB 3.44Å; W548-D552 PolarHBondContact O-N 3.5Å; W548-L555 HydrophobicContact CH2-CD1 4.41Å
549M90.6Very high89Confident65 Ų6538.6 Ų38.632%0.3223%0.228SC..Hα-helixtrans-60.5-37.8177.6-73.6-61.5-59.700112.2P457 S546 F547 S553P457-M549 HydrophobicContact CB-CE 4.21Å; P457-M549 HydrophobicContact CB-SD 3.62Å; P457-M549 HydrophobicContact CG-CE 4.36Å; P457-M549 HydrophobicContact CG-SD 4.38Å; S546-M549 PolarHBondContact O-N 3.09Å; S546-M549 WeakPolarHBondContact OG-CG 3.48Å; F547-M549 PolarHBondContact O-N 3.21Å; M549-S553 WeakPolarHBondContact O-CB 3.32Å; M549-S553 PolarHBondContact O-N 2.89Å; M549-S553 PolarHBondContact O-OG 2.95Å
550W92.6Very high89Confident1 Ų139.5 Ų39.50%0.00423%0.228CC..Hα-helixtrans-64.3-46.9174.2170.765.7000112L514 K517 I540 F545 S546 F547 W548 S553 I554 F574 S597 E598 L601L514-W550 HydrophobicContact CD2-CH2 4.01Å; L514-W550 HydrophobicContact CD2-CZ3 3.71Å; K517-W550 HydrophobicContact CD-CE3 4.28Å; K517-W550 HydrophobicContact CD-CH2 3.63Å; K517-W550 HydrophobicContact CD-CZ3 3.5Å; K517-W550 VanDerWaalsContact CD-CZ3 3.5Å; I540-W550 HydrophobicContact CD1-CB 4.4Å; I540-W550 HydrophobicContact CD1-CE3 4.49Å; F545-W550 HydrophobicContact CD2-CB 3.7Å; F545-W550 HydrophobicContact CD2-CG 4.39Å; F545-W550 HydrophobicContact CE2-CB 3.63Å; F545-W550 AromaticContact CE2-CD1 3.77Å; F545-W550 AromaticContact CE2-CG 3.81Å; F545-W550 HydrophobicContact CE2-CG 3.81Å; S546-W550 PolarHBondContact O-N 2.66Å; S546-W550 VanDerWaalsContact O-N 3.16Å; F547-W550 HydrophobicContact CD2-CE3 4.14Å; F547-W550 HydrophobicContact CD2-CZ3 4.24Å; F547-W550 HydrophobicContact CE2-CE3 4.2Å; F547-W550 AromaticContact CE2-CZ3 3.9Å; F547-W550 HydrophobicContact CE2-CZ3 3.9Å; F547-W550 WeakPolarHBondContact O-CB 3.21Å; F547-W550 PolarHBondContact O-N 2.92Å; W548-W550 VanDerWaalsContact C-N 3.26Å; W548-W550 PolarHBondContact O-N 3.5Å; W550-S553 PolarHBondContact O-N 3.26Å; W550-I554 HydrophobicContact CD2-CD1 4.08Å; W550-I554 HydrophobicContact CG-CD1 4.46Å; W550-I554 HydrophobicContact CH2-CD1 4.41Å; W550-I554 HydrophobicContact CZ2-CD1 3.73Å; W550-I554 WeakPolarHBondContact O-CG1 3.47Å; W550-I554 PolarHBondContact O-N 3.09Å; W550-I554 VanDerWaalsContact O-N 3.16Å; W550-F574 AromaticContact CH2-CD1 3.93Å; W550-F574 HydrophobicContact CH2-CD1 3.93Å; W550-F574 AromaticContact CH2-CE1 3.94Å; W550-F574 HydrophobicContact CH2-CE1 3.94Å; W550-F574 HydrophobicContact CZ2-CE1 4.39Å; W550-F574 HydrophobicContact CZ3-CE1 4.42Å; W550-S597 PolarHBondContact NE1-O 3.27Å; W550-E598 HydrophobicContact CZ2-CG 4.12Å; W550-L601 HydrophobicContact CB-CD2 4.34Å
551L92.8Very high89.2Confident0 Ų040.9 Ų40.90%023%0.234CC..Hα-helixtrans-68.3-43.3-178.3-165.466.8000112.8L494 F498 L514 F547 W548 S553 I554 L555 F574L494-L551 HydrophobicContact CD1-CD2 4.23Å; L494-L551 HydrophobicContact CD2-CD2 3.57Å; L494-L551 HydrophobicContact CG-CD2 4.39Å; F498-L551 HydrophobicContact CE2-CD1 3.86Å; F498-L551 HydrophobicContact CE2-CD2 4.28Å; F498-L551 HydrophobicContact CE2-CG 4.04Å; F498-L551 HydrophobicContact CZ-CD1 3.69Å; F498-L551 HydrophobicContact CZ-CG 4.17Å; L514-L551 HydrophobicContact CD1-CD1 4.47Å; L514-L551 HydrophobicContact CD2-CD1 4.24Å; F547-L551 HydrophobicContact CE1-CD2 4.09Å; F547-L551 HydrophobicContact CZ-CD2 4.31Å; F547-L551 PolarHBondContact O-N 3.39Å; F547-L551 VanDerWaalsContact O-N 3.08Å; W548-L551 HydrophobicContact CE3-CD2 4.28Å; W548-L551 HydrophobicContact CZ3-CD2 4.03Å; W548-L551 PolarHBondContact O-N 2.84Å; W548-L551 VanDerWaalsContact O-N 3.16Å; L551-S553 VanDerWaalsContact C-N 3.29Å; L551-S553 PolarHBondContact O-N 3.29Å; L551-I554 WeakPolarHBondContact O-CB 3.42Å; L551-I554 PolarHBondContact O-N 3.3Å; L551-I554 VanDerWaalsContact O-N 3.12Å; L551-L555 PolarHBondContact O-N 3.07Å; L551-F574 HydrophobicContact CD1-CE1 3.64Å; L551-F574 HydrophobicContact CD1-CZ 3.52Å
552D91.5Very high89.5Confident15 Ų1535 Ų358%0.0820%0.195CC..Hα-helixtrans-62.7-36.6176.1-170.382.1000111.4K325 P457 W548 I554 L555 E556K325-D552 IonicContact NZ-OD1 2.66Å; K325-D552 PolarHBondContact NZ-OD1 3.3Å; K325-D552 IonicContact NZ-OD2 3.72Å; P457-D552 HydrophobicContact CB-CB 4.28Å; P457-D552 VanDerWaalsContact CB-OD2 3.31Å; P457-D552 WeakPolarHBondContact CB-OD2 3.43Å; P457-D552 VanDerWaalsContact CG-OD2 3.28Å; P457-D552 WeakPolarHBondContact CG-OD2 3.32Å; W548-D552 HydrophobicContact CZ2-CB 3.86Å; W548-D552 WeakPolarHBondContact O-CB 3.44Å; W548-D552 PolarHBondContact O-N 3.5Å; D552-I554 VanDerWaalsContact C-N 3.32Å; D552-I554 PolarHBondContact O-N 2.91Å; D552-L555 WeakPolarHBondContact O-CB 3.43Å; D552-L555 PolarHBondContact O-N 2.8Å; D552-E556 PolarHBondContact O-N 3.4Å
553S91.4Very high89.9Confident26 Ų2634.2 Ų34.218%0.18217%0.172CC..Hα-helixtrans-65.8-34.2174.7-59.50000112.4M549 W550 L551 L557M549-S553 WeakPolarHBondContact O-CB 3.32Å; M549-S553 PolarHBondContact O-N 2.89Å; M549-S553 PolarHBondContact O-OG 2.95Å; W550-S553 PolarHBondContact O-N 3.26Å; L551-S553 VanDerWaalsContact C-N 3.29Å; L551-S553 PolarHBondContact O-N 3.29Å; S553-L557 WeakPolarHBondContact O-CB 3.18Å; S553-L557 PolarHBondContact O-N 3.26Å; S553-L557 VanDerWaalsContact O-N 3.08Å
554I92.6Very high89.8Confident0 Ų034.4 Ų34.40%018%0.18CC..Hα-helixtrans-68-44.6172.8-70.8166.9000110.2F498 W550 L551 D552 E556 L557 I558 F574 F596F498-I554 HydrophobicContact CE1-CG2 4.44Å; W550-I554 HydrophobicContact CD2-CD1 4.08Å; W550-I554 HydrophobicContact CG-CD1 4.46Å; W550-I554 HydrophobicContact CH2-CD1 4.41Å; W550-I554 HydrophobicContact CZ2-CD1 3.73Å; W550-I554 WeakPolarHBondContact O-CG1 3.47Å; W550-I554 PolarHBondContact O-N 3.09Å; W550-I554 VanDerWaalsContact O-N 3.16Å; L551-I554 WeakPolarHBondContact O-CB 3.42Å; L551-I554 PolarHBondContact O-N 3.3Å; L551-I554 VanDerWaalsContact O-N 3.12Å; D552-I554 VanDerWaalsContact C-N 3.32Å; D552-I554 PolarHBondContact O-N 2.91Å; I554-E556 VanDerWaalsContact C-N 3.31Å; I554-E556 PolarHBondContact O-N 3.42Å; I554-L557 WeakPolarHBondContact O-CB 3.34Å; I554-L557 PolarHBondContact O-N 3.17Å; I554-L557 VanDerWaalsContact O-N 3.11Å; I554-I558 HydrophobicContact CG2-CD1 3.89Å; I554-I558 HydrophobicContact CG2-CG1 4.35Å; I554-I558 WeakPolarHBondContact O-CG1 3.27Å; I554-I558 PolarHBondContact O-N 3.15Å; I554-F574 HydrophobicContact CD1-CE1 3.85Å; I554-F574 HydrophobicContact CD1-CZ 4.3Å; I554-F574 HydrophobicContact CG2-CZ 4.09Å; I554-F596 HydrophobicContact CD1-CB 3.65Å; I554-F596 HydrophobicContact CD1-CD2 4.36Å; I554-F596 HydrophobicContact CD1-CG 4Å; I554-F596 HydrophobicContact CG1-CB 4.13Å; I554-F596 HydrophobicContact CG1-CD1 4.35Å; I554-F596 HydrophobicContact CG1-CG 4.14Å; I554-F596 HydrophobicContact CG2-CD1 3.76Å; I554-F596 HydrophobicContact CG2-CD2 3.57Å; I554-F596 HydrophobicContact CG2-CE1 3.81Å; I554-F596 HydrophobicContact CG2-CE2 3.61Å; I554-F596 HydrophobicContact CG2-CG 3.67Å; I554-F596 HydrophobicContact CG2-CZ 3.75Å
555L91.4Very high89.7Confident6 Ų629.5 Ų29.53%0.03115%0.148CC..Hα-helixtrans-58.3-42.5175.3-78.3168000112Q497 F498 F501 W548 L551 D552 L557 I558 K559Q497-L555 HydrophobicContact CB-CD1 3.86Å; F498-L555 HydrophobicContact CB-CD2 4.3Å; F498-L555 HydrophobicContact CD1-CD2 3.47Å; F498-L555 VanDerWaalsContact CD1-CD2 3.47Å; F498-L555 HydrophobicContact CD1-CG 4.42Å; F498-L555 HydrophobicContact CD2-CD1 4.49Å; F498-L555 HydrophobicContact CD2-CD2 3.77Å; F498-L555 HydrophobicContact CD2-CG 4.37Å; F498-L555 HydrophobicContact CE1-CD2 3.52Å; F498-L555 HydrophobicContact CE1-CG 4Å; F498-L555 HydrophobicContact CE2-CD1 4.12Å; F498-L555 HydrophobicContact CE2-CD2 3.81Å; F498-L555 HydrophobicContact CE2-CG 3.94Å; F498-L555 HydrophobicContact CG-CD2 3.59Å; F498-L555 HydrophobicContact CZ-CD1 4.37Å; F498-L555 HydrophobicContact CZ-CD2 3.67Å; F498-L555 HydrophobicContact CZ-CG 3.72Å; F501-L555 HydrophobicContact CB-CD2 4.35Å; W548-L555 HydrophobicContact CH2-CD1 4.41Å; L551-L555 PolarHBondContact O-N 3.07Å; D552-L555 WeakPolarHBondContact O-CB 3.43Å; D552-L555 PolarHBondContact O-N 2.8Å; L555-L557 VanDerWaalsContact C-N 3.35Å; L555-L557 PolarHBondContact O-N 2.89Å; L555-I558 PolarHBondContact O-N 3.07Å; L555-K559 WeakPolarHBondContact O-CB 3.44Å; L555-K559 PolarHBondContact O-N 3.37Å
556E90.3Very high89.8Confident71 Ų7128.8 Ų28.833%0.33215%0.145SC..Hα-helixtrans-62.4-42174.6-169-172.3163.800111.7D552 I554 K559 K560 K627D552-E556 PolarHBondContact O-N 3.4Å; I554-E556 VanDerWaalsContact C-N 3.31Å; I554-E556 PolarHBondContact O-N 3.42Å; E556-K559 PolarHBondContact O-N 3.11Å; E556-K560 HydrophobicContact CG-CD 4Å; E556-K560 WeakPolarHBondContact O-CB 3.43Å; E556-K560 WeakPolarHBondContact O-CG 3.44Å; E556-K560 PolarHBondContact O-N 3.16Å; E556-K560 VanDerWaalsContact O-N 3.08Å; E556-K560 WeakPolarHBondContact OE1-CE 3.28Å; E556-K560 IonicContact OE1-NZ 3.62Å; E556-K560 PolarHBondContact OE1-NZ 2.94Å; E556-K627 IonicContact OE1-NZ 2.74Å; E556-K627 PolarHBondContact OE1-NZ 3.13Å
557L91.4Very high89.3Confident5 Ų531.6 Ų31.63%0.02616%0.159CC..Hα-helixtrans-61.3-46.3177.7-168.474.9000111.4S553 I554 L555 K560 H561 L562 G602 I604 K627 L630S553-L557 WeakPolarHBondContact O-CB 3.18Å; S553-L557 PolarHBondContact O-N 3.26Å; S553-L557 VanDerWaalsContact O-N 3.08Å; I554-L557 WeakPolarHBondContact O-CB 3.34Å; I554-L557 PolarHBondContact O-N 3.17Å; I554-L557 VanDerWaalsContact O-N 3.11Å; L555-L557 VanDerWaalsContact C-N 3.35Å; L555-L557 PolarHBondContact O-N 2.89Å; L557-K560 PolarHBondContact O-N 3.03Å; L557-H561 PolarHBondContact O-N 3.35Å; L557-L562 HydrophobicContact CD2-CD1 3.86Å; L557-L562 HydrophobicContact CG-CD1 4.01Å; L557-G602 WeakPolarHBondContact CD1-O 3.44Å; L557-I604 HydrophobicContact CD2-CB 4.2Å; L557-I604 HydrophobicContact CD2-CG2 4.35Å; L557-K627 HydrophobicContact CD1-CB 4.28Å; L557-L630 HydrophobicContact CD1-CD1 3.65Å; L557-L630 HydrophobicContact CD2-CD1 4.37Å; L557-L630 HydrophobicContact CG-CD1 4.1Å
558I90.9Very high88.8Confident0 Ų034.9 Ų34.90%017%0.174CC..Iπ-helixtrans-60.5-53.9178.4-65.2166.1000109.7F498 A502 I554 L555 K560 H561 L562 L563 W566 F596F498-I558 HydrophobicContact CD1-CD1 4.03Å; F498-I558 HydrophobicContact CE1-CD1 3.65Å; A502-I558 HydrophobicContact CB-CG2 3.65Å; I554-I558 HydrophobicContact CG2-CD1 3.89Å; I554-I558 HydrophobicContact CG2-CG1 4.35Å; I554-I558 WeakPolarHBondContact O-CG1 3.27Å; I554-I558 PolarHBondContact O-N 3.15Å; L555-I558 PolarHBondContact O-N 3.07Å; I558-K560 VanDerWaalsContact C-N 3.26Å; I558-K560 PolarHBondContact O-N 2.91Å; I558-H561 PolarHBondContact O-N 2.92Å; I558-L562 CarbonylContact O-C 3.57Å; I558-L562 PolarHBondContact O-N 2.86Å; I558-L563 PolarHBondContact O-N 3.26Å; I558-W566 HydrophobicContact CD1-CD2 4.08Å; I558-W566 HydrophobicContact CD1-CE3 4.02Å; I558-W566 HydrophobicContact CD1-CZ3 4.31Å; I558-W566 HydrophobicContact CG2-CB 3.72Å; I558-W566 HydrophobicContact CG2-CD2 4.25Å; I558-W566 HydrophobicContact CG2-CG 3.7Å; I558-F596 HydrophobicContact CD1-CE1 4.37Å; I558-F596 HydrophobicContact CD1-CE2 3.99Å; I558-F596 HydrophobicContact CD1-CZ 3.53Å; I558-F596 HydrophobicContact CG1-CE1 4.06Å; I558-F596 HydrophobicContact CG1-CZ 3.61Å
559K87.8Confident88.4Confident97 Ų9739.1 Ų39.142%0.42220%0.197SC..Iπ-helixtrans-57.1-38.4-176.6-176.3177.3178.7-177.70112.9L555 E556L555-K559 WeakPolarHBondContact O-CB 3.44Å; L555-K559 PolarHBondContact O-N 3.37Å; E556-K559 PolarHBondContact O-N 3.11Å
560K87.9Confident88.1Confident114 Ų11437.8 Ų37.850%0.49619%0.189SC..Iπ-helixtrans-88.6-33.7-174.9-69.7-175.8177.8178.50114.2E556 L557 I558E556-K560 HydrophobicContact CG-CD 4Å; E556-K560 WeakPolarHBondContact O-CB 3.43Å; E556-K560 WeakPolarHBondContact O-CG 3.44Å; E556-K560 PolarHBondContact O-N 3.16Å; E556-K560 VanDerWaalsContact O-N 3.08Å; E556-K560 WeakPolarHBondContact OE1-CE 3.28Å; E556-K560 IonicContact OE1-NZ 3.62Å; E556-K560 PolarHBondContact OE1-NZ 2.94Å; L557-K560 PolarHBondContact O-N 3.03Å; I558-K560 VanDerWaalsContact C-N 3.26Å; I558-K560 PolarHBondContact O-N 2.91Å
561H87.3Confident87.9Confident51 Ų5137.7 Ų37.724%0.23619%0.189CC..Iπ-helixtrans-131.5-18.8-166.8-60.1-74.1000115.2L557 I558 L630 S631L557-H561 PolarHBondContact O-N 3.35Å; I558-H561 PolarHBondContact O-N 2.92Å; H561-L630 HydrophobicContact CB-CB 4.03Å; H561-L630 HydrophobicContact CB-CD1 3.9Å; H561-L630 PolarHBondContact ND1-O 3.38Å; H561-S631 PolarHBondContact CE1-OG 2.97Å; H561-S631 VanDerWaalsContact CE1-OG 3.31Å
562L88.3Confident87.6Confident0 Ų039.4 Ų39.40%020%0.197CC..Iπ-helixtrans-125.47.6-171.1-48.3167.9000114.1L557 I558 V565 W566 I571 F596 I604 L630 F635L557-L562 HydrophobicContact CD2-CD1 3.86Å; L557-L562 HydrophobicContact CG-CD1 4.01Å; I558-L562 CarbonylContact O-C 3.57Å; I558-L562 PolarHBondContact O-N 2.86Å; L562-V565 PolarHBondContact O-N 3.47Å; L562-V565 VanDerWaalsContact O-N 3.08Å; L562-W566 WeakPolarHBondContact O-CB 3.25Å; L562-W566 PolarHBondContact O-N 3.1Å; L562-I571 HydrophobicContact CB-CD1 4Å; L562-I571 HydrophobicContact CD1-CD1 4.32Å; L562-F596 HydrophobicContact CD1-CE1 4.01Å; L562-I604 HydrophobicContact CD1-CB 4.15Å; L562-I604 HydrophobicContact CD1-CD1 3.68Å; L562-I604 HydrophobicContact CD1-CG2 4.2Å; L562-I604 HydrophobicContact CD2-CD1 4.25Å; L562-I604 HydrophobicContact CD2-CG2 4.48Å; L562-L630 HydrophobicContact CD2-CD1 4.21Å; L562-L630 HydrophobicContact CG-CD1 4.48Å; L562-F635 HydrophobicContact CD2-CB 3.54Å; L562-F635 HydrophobicContact CD2-CD1 3.56Å; L562-F635 HydrophobicContact CD2-CD2 4.29Å; L562-F635 HydrophobicContact CD2-CE1 4.33Å; L562-F635 HydrophobicContact CD2-CG 3.52Å
563L86.3Confident87.5Confident65 Ų6538.7 Ų38.734%0.3419%0.194SC..Hα-helixtrans-53-47.3-173.6-169.473.1000113.5A502 I558 V565 W566 N567A502-L563 HydrophobicContact CB-CD1 4.23Å; A502-L563 VanDerWaalsContact O-CD1 3.26Å; A502-L563 WeakPolarHBondContact O-CD1 3.4Å; I558-L563 PolarHBondContact O-N 3.26Å; L563-V565 VanDerWaalsContact C-N 3.34Å; L563-V565 PolarHBondContact O-N 3.02Å; L563-W566 PolarHBondContact O-N 3.22Å; L563-N567 PolarHBondContact O-N 2.81Å; L563-N567 VanDerWaalsContact O-N 3.12Å
564P83Confident87.5Confident69 Ų6937.7 Ų37.745%0.44819%0.186SC..Hα-helixtrans-65.2-37.7178.9-20.534.2000112.9E568 L671P564-E568 PolarHBondContact O-N 3.44Å; P564-L671 HydrophobicContact CB-CD1 4.23Å; P564-L671 HydrophobicContact CB-CD2 3.53Å; P564-L671 HydrophobicContact CG-CD2 4.42Å
565V85.4Confident87.3Confident6 Ų638.4 Ų38.44%0.03619%0.191CC..Hα-helixtrans-71.8-35.4-178.8-170.30000111.1L562 L563 F570 I571 L594 F668 L671L562-V565 PolarHBondContact O-N 3.47Å; L562-V565 VanDerWaalsContact O-N 3.08Å; L563-V565 VanDerWaalsContact C-N 3.34Å; L563-V565 PolarHBondContact O-N 3.02Å; V565-F570 HydrophobicContact CG1-CB 3.8Å; V565-F570 HydrophobicContact CG1-CD2 4.42Å; V565-F570 PolarHBondContact O-N 3.29Å; V565-I571 HydrophobicContact CB-CD1 3.88Å; V565-I571 HydrophobicContact CB-CG1 4.46Å; V565-I571 HydrophobicContact CG1-CD1 3.69Å; V565-I571 HydrophobicContact CG1-CG1 3.72Å; V565-L594 HydrophobicContact CG1-CD1 4.35Å; V565-F668 HydrophobicContact CG1-CE1 3.72Å; V565-F668 HydrophobicContact CG1-CZ 4.49Å; V565-F668 HydrophobicContact CG2-CE1 4.48Å; V565-L671 HydrophobicContact CG2-CD1 3.68Å
566W87.9Confident87.1Confident0 Ų039.5 Ų39.50%020%0.199CC..Hα-helixtrans-67.7-44.6177.1178.3-102.4000112.2F498 A502 R504 L506 I558 L562 L563 N569 I571 F596F498-W566 HydrophobicContact CB-CZ2 4.42Å; F498-W566 HydrophobicContact CD1-CH2 4.06Å; F498-W566 AromaticContact CD1-CZ2 3.61Å; F498-W566 HydrophobicContact CD1-CZ2 3.61Å; F498-W566 HydrophobicContact CE1-CH2 4.41Å; F498-W566 HydrophobicContact CE1-CZ2 4.36Å; F498-W566 HydrophobicContact CG-CZ2 4.36Å; A502-W566 HydrophobicContact CB-CG 4.5Å; R504-W566 PolarHBondContact NH1-O 2.76Å; R504-W566 PolarHBondContact O-NE1 2.71Å; L506-W566 HydrophobicContact CD2-CH2 3.98Å; L506-W566 HydrophobicContact CD2-CZ2 4.18Å; I558-W566 HydrophobicContact CD1-CD2 4.08Å; I558-W566 HydrophobicContact CD1-CE3 4.02Å; I558-W566 HydrophobicContact CD1-CZ3 4.31Å; I558-W566 HydrophobicContact CG2-CB 3.72Å; I558-W566 HydrophobicContact CG2-CD2 4.25Å; I558-W566 HydrophobicContact CG2-CG 3.7Å; L562-W566 WeakPolarHBondContact O-CB 3.25Å; L562-W566 PolarHBondContact O-N 3.1Å; L563-W566 PolarHBondContact O-N 3.22Å; W566-N569 PolarHBondContact O-N 2.78Å; W566-N569 VanDerWaalsContact O-N 3.15Å; W566-I571 HydrophobicContact CB-CD1 4.5Å; W566-I571 HydrophobicContact CE3-CB 4.08Å; W566-I571 HydrophobicContact CE3-CG2 4.05Å; W566-I571 HydrophobicContact CZ3-CB 4.48Å; W566-I571 HydrophobicContact CZ3-CG2 4.09Å; W566-F596 HydrophobicContact CE3-CE2 4.47Å; W566-F596 HydrophobicContact CE3-CZ 4.33Å; W566-F596 AromaticContact CZ3-CE2 3.94Å; W566-F596 HydrophobicContact CZ3-CE2 3.94Å; W566-F596 HydrophobicContact CZ3-CZ 4.26Å
567N82.2Confident86.8Confident68 Ų6841.4 Ų41.436%0.36421%0.206SC..Hα-helixtrans-67.8-36.2-177.5-74.8-15.1000113.2A502 L563 N569A502-N567 PolarHBondContact O-OD1 3.16Å; L563-N567 PolarHBondContact O-N 2.81Å; L563-N567 VanDerWaalsContact O-N 3.12Å; N567-N569 PolarHBondContact O-N 3.4Å
568E79.9Confident86.6Confident71 Ų7147.9 Ų47.933%0.33224%0.236SC..THydrogen-bonded Turntrans-78.75.7174.7-68.6-74.7167.200113.4R102 R106 P564 F570R102-E568 IonicContact NH2-OE1 2.99Å; R102-E568 IonicContact NH2-OE2 3.29Å; R102-E568 PolarHBondContact NH2-OE2 2.9Å; R106-E568 IonicContact CZ-OE2 3.98Å; R106-E568 IonicContact NH1-OE1 2.75Å; R106-E568 IonicContact NH1-OE2 2.89Å; R106-E568 IonicContact NH2-OE2 3.83Å; R106-E568 PolarHBondContact NH2-OE2 3.35Å; P564-E568 PolarHBondContact O-N 3.44Å; E568-F570 VanDerWaalsContact C-N 3.32Å; E568-F570 HydrophobicContact CB-CD2 3.75Å; E568-F570 HydrophobicContact CB-CE1 4.3Å; E568-F570 HydrophobicContact CB-CE2 3.42Å; E568-F570 VanDerWaalsContact CB-CE2 3.42Å; E568-F570 HydrophobicContact CB-CG 4.31Å; E568-F570 HydrophobicContact CB-CZ 3.73Å; E568-F570 HydrophobicContact CG-CE2 4.12Å; E568-F570 HydrophobicContact CG-CZ 4.49Å; E568-F570 PolarHBondContact O-N 3.4Å
569N83.9Confident86.3Confident92 Ų9252.4 Ų52.449%0.49226%0.258SS..THydrogen-bonded Turntrans61.232.4178.3-168.130.9000115.5R504 W566 N567R504-N569 VanDerWaalsContact NH1-CB 3.3Å; R504-N569 VanDerWaalsContact NH1-CG 3.27Å; R504-N569 PolarHBondContact NH1-OD1 3.42Å; R504-N569 VanDerWaalsContact NH2-CG 3.32Å; R504-N569 PolarHBondContact NH2-OD1 2.98Å; W566-N569 PolarHBondContact O-N 2.78Å; W566-N569 VanDerWaalsContact O-N 3.15Å; N567-N569 PolarHBondContact O-N 3.4Å
570F85.6Confident86.3Confident36 Ų3648 Ų4816%0.15824%0.239CC..  trans-85.4-14.1175-60-35000113.5V565 E568 L658 A667 F668V565-F570 HydrophobicContact CG1-CB 3.8Å; V565-F570 HydrophobicContact CG1-CD2 4.42Å; V565-F570 PolarHBondContact O-N 3.29Å; E568-F570 VanDerWaalsContact C-N 3.32Å; E568-F570 HydrophobicContact CB-CD2 3.75Å; E568-F570 HydrophobicContact CB-CE1 4.3Å; E568-F570 HydrophobicContact CB-CE2 3.42Å; E568-F570 VanDerWaalsContact CB-CE2 3.42Å; E568-F570 HydrophobicContact CB-CG 4.31Å; E568-F570 HydrophobicContact CB-CZ 3.73Å; E568-F570 HydrophobicContact CG-CE2 4.12Å; E568-F570 HydrophobicContact CG-CZ 4.49Å; E568-F570 PolarHBondContact O-N 3.4Å; F570-L658 HydrophobicContact CB-CD2 3.66Å; F570-L658 HydrophobicContact CD1-CD2 3.74Å; F570-L658 HydrophobicContact CG-CD2 3.91Å; F570-A667 HydrophobicContact CD1-CB 4.3Å; F570-A667 HydrophobicContact CE1-CB 4.14Å; F570-A667 HydrophobicContact CE2-CB 4.36Å; F570-A667 WeakPolarHBondContact CE2-O 3.29Å; F570-A667 HydrophobicContact CG-CB 4.49Å; F570-A667 HydrophobicContact CZ-CB 4.16Å; F570-A667 WeakPolarHBondContact CZ-O 3.31Å; F570-F668 HydrophobicContact CB-CZ 4.29Å
571I88.9Confident86.2Confident0 Ų049.3 Ų49.30%024%0.241CC..  trans-100.4117.6176.3-67.3159.3000109.6L562 V565 W566 L594 F596 I604L562-I571 HydrophobicContact CB-CD1 4Å; L562-I571 HydrophobicContact CD1-CD1 4.32Å; V565-I571 HydrophobicContact CB-CD1 3.88Å; V565-I571 HydrophobicContact CB-CG1 4.46Å; V565-I571 HydrophobicContact CG1-CD1 3.69Å; V565-I571 HydrophobicContact CG1-CG1 3.72Å; W566-I571 HydrophobicContact CB-CD1 4.5Å; W566-I571 HydrophobicContact CE3-CB 4.08Å; W566-I571 HydrophobicContact CE3-CG2 4.05Å; W566-I571 HydrophobicContact CZ3-CB 4.48Å; W566-I571 HydrophobicContact CZ3-CG2 4.09Å; I571-L594 HydrophobicContact CG1-CB 4.22Å; I571-L594 HydrophobicContact CG1-CD1 3.83Å; I571-F596 HydrophobicContact CG2-CE2 4.05Å; I571-F596 HydrophobicContact CG2-CZ 3.83Å; I571-I604 HydrophobicContact CD1-CD1 4.01Å; I571-I604 HydrophobicContact CG1-CD1 4.12Å
572M85.9Confident86.2Confident35 Ų3549.7 Ų49.717%0.17225%0.253CS..  trans-69.9-38.8166.3-72.8-159.2-155.100111.6Q510 F574 V575 L583 L593 L594 Y659Q510-M572 WeakPolarHBondContact CG-O 3.49Å; Q510-M572 PolarHBondContact NE2-O 2.91Å; M572-F574 PolarHBondContact O-N 3.2Å; M572-V575 HydrophobicContact CB-CG2 3.7Å; M572-V575 HydrophobicContact CG-CG2 4.48Å; M572-V575 HydrophobicContact SD-CG2 3.85Å; M572-L583 HydrophobicContact CE-CD1 4.32Å; M572-L583 HydrophobicContact SD-CD1 4.17Å; M572-L593 HydrophobicContact CB-CD2 4.34Å; M572-L593 HydrophobicContact CE-CD1 3.3Å; M572-L593 HydrophobicContact CE-CG 3.67Å; M572-L593 HydrophobicContact CG-CG 4.24Å; M572-L593 HydrophobicContact SD-CD1 3.37Å; M572-L593 WeakPolarHBondContact SD-CD1 3.29Å; M572-L593 HydrophobicContact SD-CD2 4.22Å; M572-L593 HydrophobicContact SD-CG 3.71Å; M572-L594 PolarHBondContact N-O 3.48Å; M572-Y659 HydrophobicContact CE-CD1 2.87Å; M572-Y659 HydrophobicContact CE-CD2 4.16Å; M572-Y659 HydrophobicContact CE-CE1 3.35Å; M572-Y659 HydrophobicContact CE-CG 3.32Å
573G89.8Confident86.2Confident1 Ų151.4 Ų51.41%0.0126%0.262CS..BIsolated β-bridgetrans76.6-79.4170.400000113.5V575 L594 R595 F596G573-V575 PolarHBondContact O-N 3Å; G573-L594 PolarHBondContact N-O 3.35Å; G573-R595 CarbonylContact O-C 3.47Å; G573-R595 WeakPolarHBondContact O-CA 3.45Å; G573-R595 WeakPolarHBondContact O-CB 3.17Å; G573-F596 PolarHBondContact O-N 2.76Å
574F91.3Very high86.2Confident4 Ų448.3 Ų48.32%0.01825%0.246CC..  trans-99.887.7-172.4-58.6-76.4000111F498 L506 Q510 M513 L514 W550 L551 I554 M572 F596F498-F574 AromaticContact CE1-CE2 3.85Å; F498-F574 HydrophobicContact CE1-CE2 3.85Å; F498-F574 AromaticContact CE1-CZ 3.98Å; F498-F574 HydrophobicContact CE1-CZ 3.98Å; F498-F574 HydrophobicContact CE2-CZ 4.47Å; F498-F574 AromaticContact CZ-CE2 3.77Å; F498-F574 HydrophobicContact CZ-CE2 3.77Å; F498-F574 AromaticContact CZ-CZ 3.58Å; F498-F574 HydrophobicContact CZ-CZ 3.58Å; L506-F574 HydrophobicContact CD2-CD2 3.89Å; L506-F574 HydrophobicContact CD2-CE2 3.59Å; Q510-F574 HydrophobicContact CB-CB 4.04Å; Q510-F574 HydrophobicContact CB-CD2 4.05Å; Q510-F574 HydrophobicContact CB-CG 4.49Å; Q510-F574 HydrophobicContact CG-CB 4.13Å; Q510-F574 HydrophobicContact CG-CD2 4.1Å; M513-F574 HydrophobicContact CB-CB 4.46Å; M513-F574 HydrophobicContact SD-CB 4.01Å; L514-F574 HydrophobicContact CD1-CD1 4.4Å; L514-F574 HydrophobicContact CD1-CD2 4.42Å; L514-F574 HydrophobicContact CD1-CG 4.33Å; L514-F574 HydrophobicContact CD2-CD1 3.54Å; L514-F574 HydrophobicContact CD2-CE1 3.81Å; L514-F574 HydrophobicContact CD2-CG 4.15Å; L514-F574 HydrophobicContact CG-CB 4.44Å; L514-F574 HydrophobicContact CG-CD1 4.05Å; L514-F574 HydrophobicContact CG-CG 4.14Å; W550-F574 AromaticContact CH2-CD1 3.93Å; W550-F574 HydrophobicContact CH2-CD1 3.93Å; W550-F574 AromaticContact CH2-CE1 3.94Å; W550-F574 HydrophobicContact CH2-CE1 3.94Å; W550-F574 HydrophobicContact CZ2-CE1 4.39Å; W550-F574 HydrophobicContact CZ3-CE1 4.42Å; L551-F574 HydrophobicContact CD1-CE1 3.64Å; L551-F574 HydrophobicContact CD1-CZ 3.52Å; I554-F574 HydrophobicContact CD1-CE1 3.85Å; I554-F574 HydrophobicContact CD1-CZ 4.3Å; I554-F574 HydrophobicContact CG2-CZ 4.09Å; M572-F574 PolarHBondContact O-N 3.2Å; F574-F596 HydrophobicContact CE1-CD2 4.12Å; F574-F596 HydrophobicContact CE2-CD2 4.1Å; F574-F596 HydrophobicContact CE2-CE2 4.17Å; F574-F596 AromaticContact CZ-CD2 3.89Å; F574-F596 HydrophobicContact CZ-CD2 3.89Å; F574-F596 HydrophobicContact CZ-CE2 4.26Å
575V88.2Confident86.3Confident15 Ų1550.9 Ų50.99%0.09125%0.25CC..  trans-135.1131.9179.2-172.60000109.3M572 G573 M579 E580 L583M572-V575 HydrophobicContact CB-CG2 3.7Å; M572-V575 HydrophobicContact CG-CG2 4.48Å; M572-V575 HydrophobicContact SD-CG2 3.85Å; G573-V575 PolarHBondContact O-N 3Å; V575-M579 HydrophobicContact CG1-CB 3.91Å; V575-M579 HydrophobicContact CG1-CG 4.01Å; V575-E580 HydrophobicContact CG1-CB 4.07Å; V575-L583 HydrophobicContact CG1-CD1 4.48Å
576S86.4Confident86.2Confident29 Ų2957.5 Ų57.520%0.20329%0.285CS..  trans-70153.4176.173.20000110.8E578 M579 E580S576-E578 PolarHBondContact O-N 2.78Å; S576-M579 PolarHBondContact O-N 2.99Å; S576-M579 VanDerWaalsContact OG-CB 3.29Å; S576-M579 WeakPolarHBondContact OG-CB 3.36Å; S576-M579 PolarHBondContact OG-N 3.35Å; S576-E580 VanDerWaalsContact O-CB 3.31Å; S576-E580 WeakPolarHBondContact O-CB 3.5Å; S576-E580 PolarHBondContact O-N 2.78Å
577K85.4Confident86Confident111 Ų11161 Ų6148%0.48330%0.298SS..Hα-helixtrans-59-31.3177.5-70-174.9178.2-177.20113.2R581K577-R581 WeakPolarHBondContact O-CD 3.44Å; K577-R581 VanDerWaalsContact O-CG 3.25Å; K577-R581 WeakPolarHBondContact O-CG 3.26Å; K577-R581 PolarHBondContact O-N 3.14Å
578E85.7Confident86.1Confident142 Ų14263.3 Ų63.366%0.66431%0.307SS*.Hα-helixtrans-71.4-47.2178.7-67.2172.2-171.400110.6S576 R581 A582S576-E578 PolarHBondContact O-N 2.78Å; E578-R581 PolarHBondContact O-N 2.83Å; E578-A582 PolarHBondContact O-N 2.79Å
579M85.1Confident86.3Confident94 Ų9463.2 Ų63.246%0.46331%0.313SS..Hα-helixtrans-65.8-42.5177.1-171.961.1170.100111.6V575 S576 R581 A582 L583V575-M579 HydrophobicContact CG1-CB 3.91Å; V575-M579 HydrophobicContact CG1-CG 4.01Å; S576-M579 PolarHBondContact O-N 2.99Å; S576-M579 VanDerWaalsContact OG-CB 3.29Å; S576-M579 WeakPolarHBondContact OG-CB 3.36Å; S576-M579 PolarHBondContact OG-N 3.35Å; M579-R581 VanDerWaalsContact C-N 3.32Å; M579-R581 PolarHBondContact O-N 2.79Å; M579-A582 WeakPolarHBondContact O-CB 3.46Å; M579-A582 PolarHBondContact O-N 3.41Å; M579-A582 VanDerWaalsContact O-N 3.12Å; M579-L583 HydrophobicContact CE-CD1 4.44Å; M579-L583 HydrophobicContact CE-CD2 4.04Å; M579-L583 HydrophobicContact CE-CG 4.29Å; M579-L583 HydrophobicContact CG-CD1 4.18Å; M579-L583 HydrophobicContact CG-CG 4.34Å; M579-L583 VanDerWaalsContact O-CG 3.3Å; M579-L583 WeakPolarHBondContact O-CG 3.44Å; M579-L583 PolarHBondContact O-N 2.89Å; M579-L583 HydrophobicContact SD-CG 4.47Å
580E87.3Confident86.3Confident4 Ų459 Ų592%0.01929%0.291CS..Hα-helixtrans-54.6-46.9175.3172.5179.1-130.700111.8V575 S576 L583 L584 L593 R595 T607V575-E580 HydrophobicContact CG1-CB 4.07Å; S576-E580 VanDerWaalsContact O-CB 3.31Å; S576-E580 WeakPolarHBondContact O-CB 3.5Å; S576-E580 PolarHBondContact O-N 2.78Å; E580-L583 PolarHBondContact O-N 3.43Å; E580-L584 HydrophobicContact CG-CD1 4.12Å; E580-L584 WeakPolarHBondContact O-CB 3.42Å; E580-L584 WeakPolarHBondContact O-CG 3.39Å; E580-L584 PolarHBondContact O-N 2.8Å; E580-L584 VanDerWaalsContact O-N 3.11Å; E580-L593 HydrophobicContact CG-CD1 4.45Å; E580-L593 HydrophobicContact CG-CD2 4.46Å; E580-R595 VanDerWaalsContact OE1-CD 3.28Å; E580-R595 WeakPolarHBondContact OE1-CD 3.43Å; E580-R595 IonicContact OE1-CZ 2.69Å; E580-R595 IonicContact OE1-NE 2.85Å; E580-R595 PolarHBondContact OE1-NE 3.45Å; E580-R595 IonicContact OE2-CZ 2.8Å; E580-R595 IonicContact OE2-NE 3.6Å; E580-R595 PolarHBondContact OE2-NE 3.21Å; E580-R595 IonicContact OE2-NH2 2.72Å; E580-T607 VanDerWaalsContact CD-OG1 3.23Å; E580-T607 HydrophobicContact CG-CG2 4.4Å; E580-T607 WeakPolarHBondContact OE1-CB 3.4Å; E580-T607 PolarHBondContact OE1-OG1 3.03Å
581R86.6Confident86.4Confident143 Ų14357.3 Ų57.354%0.5428%0.284SS..Hα-helixtrans-65.7-40.2177-72.6170.9179.4-177.2-3.3111.8K577 E578 M579 L584 K585 F619K577-R581 WeakPolarHBondContact O-CD 3.44Å; K577-R581 VanDerWaalsContact O-CG 3.25Å; K577-R581 WeakPolarHBondContact O-CG 3.26Å; K577-R581 PolarHBondContact O-N 3.14Å; E578-R581 PolarHBondContact O-N 2.83Å; M579-R581 VanDerWaalsContact C-N 3.32Å; M579-R581 PolarHBondContact O-N 2.79Å; R581-L584 PolarHBondContact O-N 3.27Å; R581-K585 VanDerWaalsContact O-CB 3.31Å; R581-K585 WeakPolarHBondContact O-CB 3.49Å; R581-K585 PolarHBondContact O-N 3.42Å; R581-F619 HydrophobicContact CB-CE1 4.49Å; R581-F619 HydrophobicContact CB-CE2 4.22Å; R581-F619 HydrophobicContact CB-CZ 4.17Å; R581-F619 HydrophobicContact CG-CD1 4.45Å; R581-F619 HydrophobicContact CG-CD2 4Å; R581-F619 HydrophobicContact CG-CE2 4.15Å; R581-F619 HydrophobicContact CG-CG 4.15Å; R581-F619 HydrophobicContact CG-CZ 4.43Å; R581-F619 WeakPolarHBondContact O-CZ 3.26Å
582A87.7Confident86.5Confident59 Ų5957.3 Ų57.349%0.48828%0.284SS..Hα-helixtrans-62.5-42.9176.900000111.8E578 M579 L584E578-A582 PolarHBondContact O-N 2.79Å; M579-A582 WeakPolarHBondContact O-CB 3.46Å; M579-A582 PolarHBondContact O-N 3.41Å; M579-A582 VanDerWaalsContact O-N 3.12Å; A582-L584 PolarHBondContact O-N 3Å
583L87.4Confident86.7Confident36 Ų3655.7 Ų55.719%0.18828%0.276CS..Hα-helixtrans-67.8-34179.7-67.9176.5000113.2M572 V575 M579 E580 R587 L593 Y659M572-L583 HydrophobicContact CE-CD1 4.32Å; M572-L583 HydrophobicContact SD-CD1 4.17Å; V575-L583 HydrophobicContact CG1-CD1 4.48Å; M579-L583 HydrophobicContact CE-CD1 4.44Å; M579-L583 HydrophobicContact CE-CD2 4.04Å; M579-L583 HydrophobicContact CE-CG 4.29Å; M579-L583 HydrophobicContact CG-CD1 4.18Å; M579-L583 HydrophobicContact CG-CG 4.34Å; M579-L583 VanDerWaalsContact O-CG 3.3Å; M579-L583 WeakPolarHBondContact O-CG 3.44Å; M579-L583 PolarHBondContact O-N 2.89Å; M579-L583 HydrophobicContact SD-CG 4.47Å; E580-L583 PolarHBondContact O-N 3.43Å; L583-R587 VanDerWaalsContact O-CG 3.24Å; L583-R587 WeakPolarHBondContact O-CG 3.33Å; L583-L593 HydrophobicContact CD1-CD1 4.22Å; L583-Y659 HydrophobicContact CB-CE2 3.98Å
584L86.8Confident86.8Confident0 Ų055.7 Ų55.70%028%0.276CS..Hα-helixtrans-89.9-17-177.9-71.9175.4000114E580 R581 A582 D586 R587 T591 L593 T607 V609 F619E580-L584 HydrophobicContact CG-CD1 4.12Å; E580-L584 WeakPolarHBondContact O-CB 3.42Å; E580-L584 WeakPolarHBondContact O-CG 3.39Å; E580-L584 PolarHBondContact O-N 2.8Å; E580-L584 VanDerWaalsContact O-N 3.11Å; R581-L584 PolarHBondContact O-N 3.27Å; A582-L584 PolarHBondContact O-N 3Å; L584-D586 VanDerWaalsContact C-N 3.34Å; L584-D586 PolarHBondContact O-N 3.42Å; L584-R587 PolarHBondContact O-N 3.33Å; L584-T591 HydrophobicContact CD2-CG2 4.07Å; L584-L593 HydrophobicContact CD1-CB 4.27Å; L584-L593 HydrophobicContact CD2-CB 4.38Å; L584-T607 HydrophobicContact CD1-CG2 3.99Å; L584-V609 HydrophobicContact CB-CB 4.35Å; L584-F619 HydrophobicContact CB-CD1 4.1Å; L584-F619 HydrophobicContact CB-CE1 3.66Å; L584-F619 HydrophobicContact CD1-CD1 4.47Å
585K85.1Confident86.9Confident122 Ų12256.2 Ų56.253%0.5328%0.277SS..Hα-helixtrans-59-41-172.4-173.4-178.4176.2-170.40113.7R581 F619R581-K585 VanDerWaalsContact O-CB 3.31Å; R581-K585 WeakPolarHBondContact O-CB 3.49Å; R581-K585 PolarHBondContact O-N 3.42Å; K585-F619 HydrophobicContact CB-CZ 4.18Å
586D82.9Confident87.2Confident145 Ų14555.7 Ų55.778%0.77527%0.274SS*.THydrogen-bonded Turntrans-101.618.6-173.7-57.2-33.2000112.5L584L584-D586 VanDerWaalsContact C-N 3.34Å; L584-D586 PolarHBondContact O-N 3.42Å
587R84.9Confident87.3Confident73 Ų7354.5 Ų54.528%0.27527%0.265SS..SBendtrans-105.2160.2-174.7-64-65.9176.9170.9-2.7112.7L583 L584 T591 H611 Y659 D661L583-R587 VanDerWaalsContact O-CG 3.24Å; L583-R587 WeakPolarHBondContact O-CG 3.33Å; L584-R587 PolarHBondContact O-N 3.33Å; R587-T591 HydrophobicContact CB-CG2 4.14Å; R587-H611 PolarHBondContact O-CE1 2.94Å; R587-H611 VanDerWaalsContact O-CE1 3.24Å; R587-Y659 HydrophobicContact CG-CE2 4.5Å; R587-D661 IonicContact CZ-OD2 3.93Å; R587-D661 VanDerWaalsContact NH1-CG 3.3Å; R587-D661 IonicContact NH1-OD1 3.08Å; R587-D661 PolarHBondContact NH1-OD1 2.65Å; R587-D661 VanDerWaalsContact NH1-OD1 3.08Å; R587-D661 IonicContact NH1-OD2 2.76Å; R587-D661 PolarHBondContact NH1-OD2 3.3Å
588E82.6Confident87.4Confident118 Ų11851.1 Ų51.155%0.55125%0.251SS*.  trans-61.4147.1-179.3-64.9-167.4168.200112.8G590 T591 V609E588-G590 PolarHBondContact O-N 3.38Å; E588-T591 WeakPolarHBondContact O-CB 3.46Å; E588-T591 PolarHBondContact O-N 2.9Å; E588-T591 VanDerWaalsContact O-N 3.07Å; E588-T591 PolarHBondContact O-OG1 2.93Å; E588-T591 VanDerWaalsContact O-OG1 3.07Å; E588-V609 VanDerWaalsContact O-CG1 3.29Å; E588-V609 WeakPolarHBondContact O-CG1 3.31Å
589P84.9Confident87.2Confident69 Ų6946.6 Ų46.645%0.44824%0.236SC..THydrogen-bonded Turntrans-56130.2175-19.126.6000112.3H611P589-H611 HydrophobicContact CG-CB 4.21Å
590G83Confident87.1Confident4 Ų446 Ų464%0.04123%0.232CC..THydrogen-bonded Turntrans89.22.9-176.600000114.5E588 V609 P654 K656 F657E588-G590 PolarHBondContact O-N 3.38Å; G590-V609 PolarHBondContact N-O 3.19Å; G590-P654 WeakPolarHBondContact CA-O 3.42Å; G590-K656 PolarHBondContact O-N 3.24Å; G590-F657 PolarHBondContact O-N 3.12Å
591T88.3Confident86.9Confident0 Ų049.6 Ų49.60%025%0.25CS..EExtended strand (participates in β ladder)trans-69.7129.5165.3-61.30000110.1L584 R587 E588 W608 V609 F657L584-T591 HydrophobicContact CD2-CG2 4.07Å; R587-T591 HydrophobicContact CB-CG2 4.14Å; E588-T591 WeakPolarHBondContact O-CB 3.46Å; E588-T591 PolarHBondContact O-N 2.9Å; E588-T591 VanDerWaalsContact O-N 3.07Å; E588-T591 PolarHBondContact O-OG1 2.93Å; E588-T591 VanDerWaalsContact O-OG1 3.07Å; T591-W608 VanDerWaalsContact O-CA 3.31Å; T591-W608 WeakPolarHBondContact O-CA 3.25Å; T591-V609 PolarHBondContact O-N 3.45Å; T591-V609 VanDerWaalsContact O-N 3.14Å; T591-F657 CarbonylContact C-O 3.54Å; T591-F657 WeakPolarHBondContact CA-O 3.28Å
592F90.9Very high86.8Confident0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-129155.7-177.173.6-85.7000113.3L594 F606 T607 W608 I639 L655 F657 L658 Y659 K664 F668F592-L594 HydrophobicContact CD2-CD2 3.98Å; F592-L594 HydrophobicContact CE2-CD2 3.86Å; F592-L594 HydrophobicContact CE2-CG 4.3Å; F592-F606 HydrophobicContact CD2-CB 4.4Å; F592-T607 CarbonylContact C-O 3.52Å; F592-T607 WeakPolarHBondContact CA-O 3.16Å; F592-T607 WeakPolarHBondContact CB-O 3.35Å; F592-W608 HydrophobicContact CB-CB 3.71Å; F592-I639 HydrophobicContact CE2-CD1 4.43Å; F592-I639 HydrophobicContact CE2-CG2 4.39Å; F592-I639 HydrophobicContact CZ-CG2 3.96Å; F592-L655 HydrophobicContact CB-CD2 3.76Å; F592-L655 HydrophobicContact CD1-CB 3.77Å; F592-L655 HydrophobicContact CD1-CD2 3.96Å; F592-L655 HydrophobicContact CD1-CG 4.36Å; F592-L655 HydrophobicContact CD2-CD2 4.36Å; F592-L655 HydrophobicContact CE1-CB 3.84Å; F592-L655 HydrophobicContact CG-CB 4.42Å; F592-L655 HydrophobicContact CG-CD2 3.78Å; F592-F657 WeakPolarHBondContact CD1-O 3.31Å; F592-F657 WeakPolarHBondContact CE1-O 3.43Å; F592-F657 PolarHBondContact N-O 2.85Å; F592-L658 HydrophobicContact CD2-CD1 4.09Å; F592-L658 HydrophobicContact CE1-CB 4.29Å; F592-L658 HydrophobicContact CE2-CD1 3.63Å; F592-L658 HydrophobicContact CZ-CB 4.09Å; F592-L658 HydrophobicContact CZ-CD1 4Å; F592-Y659 PolarHBondContact O-N 2.77Å; F592-K664 HydrophobicContact CE1-CB 4.42Å; F592-K664 HydrophobicContact CE1-CG 4.44Å; F592-K664 HydrophobicContact CZ-CG 4.48Å; F592-F668 HydrophobicContact CE2-CE2 4.2Å; F592-F668 AromaticContact CZ-CE2 3.8Å; F592-F668 HydrophobicContact CZ-CE2 3.8Å
593L90.4Very high86.9Confident1 Ų140.2 Ų40.21%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-127.8137.8-177.3-176.7157.9000109.8M572 E580 L583 L584 R595 F606 T607M572-L593 HydrophobicContact CB-CD2 4.34Å; M572-L593 HydrophobicContact CE-CD1 3.3Å; M572-L593 HydrophobicContact CE-CG 3.67Å; M572-L593 HydrophobicContact CG-CG 4.24Å; M572-L593 HydrophobicContact SD-CD1 3.37Å; M572-L593 WeakPolarHBondContact SD-CD1 3.29Å; M572-L593 HydrophobicContact SD-CD2 4.22Å; M572-L593 HydrophobicContact SD-CG 3.71Å; E580-L593 HydrophobicContact CG-CD1 4.45Å; E580-L593 HydrophobicContact CG-CD2 4.46Å; L583-L593 HydrophobicContact CD1-CD1 4.22Å; L584-L593 HydrophobicContact CD1-CB 4.27Å; L584-L593 HydrophobicContact CD2-CB 4.38Å; L593-R595 HydrophobicContact CD2-CB 3.92Å; L593-R595 HydrophobicContact CD2-CG 4.32Å; L593-F606 WeakPolarHBondContact O-CA 3.33Å; L593-F606 WeakPolarHBondContact O-CB 3.22Å; L593-T607 PolarHBondContact N-O 2.94Å; L593-T607 PolarHBondContact O-N 3.01Å; L593-T607 VanDerWaalsContact O-N 3.08Å
594L92.2Very high87.1Confident1 Ų138.5 Ų38.51%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-99.4121.4177.4-59.3-173.2000111.5V565 I571 M572 G573 F592 F606 F635 I639 L658 F668V565-L594 HydrophobicContact CG1-CD1 4.35Å; I571-L594 HydrophobicContact CG1-CB 4.22Å; I571-L594 HydrophobicContact CG1-CD1 3.83Å; M572-L594 PolarHBondContact N-O 3.48Å; G573-L594 PolarHBondContact N-O 3.35Å; F592-L594 HydrophobicContact CD2-CD2 3.98Å; F592-L594 HydrophobicContact CE2-CD2 3.86Å; F592-L594 HydrophobicContact CE2-CG 4.3Å; L594-F606 HydrophobicContact CD2-CB 3.5Å; L594-F606 VanDerWaalsContact CD2-CB 3.5Å; L594-F606 HydrophobicContact CD2-CD1 4.45Å; L594-F606 HydrophobicContact CD2-CG 4.34Å; L594-F635 HydrophobicContact CD1-CE1 3.79Å; L594-F635 HydrophobicContact CD1-CZ 4.38Å; L594-F635 HydrophobicContact CD2-CE1 4.14Å; L594-F635 HydrophobicContact CD2-CZ 3.92Å; L594-I639 HydrophobicContact CD1-CD1 4.26Å; L594-I639 HydrophobicContact CD2-CD1 4.18Å; L594-L658 HydrophobicContact CD1-CD1 4.39Å; L594-L658 HydrophobicContact CG-CD1 4.06Å; L594-F668 HydrophobicContact CD1-CE1 4.24Å; L594-F668 HydrophobicContact CD1-CZ 3.78Å
595R93Very high87.3Confident15 Ų1538.6 Ų38.66%0.05720%0.196CC..EExtended strand (participates in β ladder)trans-137157177.666.2170.5177.7729.7113.3G573 E580 L593 T605G573-R595 CarbonylContact O-C 3.47Å; G573-R595 WeakPolarHBondContact O-CA 3.45Å; G573-R595 WeakPolarHBondContact O-CB 3.17Å; E580-R595 VanDerWaalsContact OE1-CD 3.28Å; E580-R595 WeakPolarHBondContact OE1-CD 3.43Å; E580-R595 IonicContact OE1-CZ 2.69Å; E580-R595 IonicContact OE1-NE 2.85Å; E580-R595 PolarHBondContact OE1-NE 3.45Å; E580-R595 IonicContact OE2-CZ 2.8Å; E580-R595 IonicContact OE2-NE 3.6Å; E580-R595 PolarHBondContact OE2-NE 3.21Å; E580-R595 IonicContact OE2-NH2 2.72Å; L593-R595 HydrophobicContact CD2-CB 3.92Å; L593-R595 HydrophobicContact CD2-CG 4.32Å; R595-T605 HydrophobicContact CG-CG2 3.82Å; R595-T605 PolarHBondContact N-O 3.19Å; R595-T605 VanDerWaalsContact NH1-CG2 3.33Å; R595-T605 PolarHBondContact O-N 3.38Å
596F93.8Very high87.6Confident3 Ų332.8 Ų32.81%0.01317%0.171CC..EExtended strand (participates in β ladder)trans-77.9146.1172.5-62-59.5000110.9I554 I558 L562 W566 I571 G573 F574 E598 G603 I604I554-F596 HydrophobicContact CD1-CB 3.65Å; I554-F596 HydrophobicContact CD1-CD2 4.36Å; I554-F596 HydrophobicContact CD1-CG 4Å; I554-F596 HydrophobicContact CG1-CB 4.13Å; I554-F596 HydrophobicContact CG1-CD1 4.35Å; I554-F596 HydrophobicContact CG1-CG 4.14Å; I554-F596 HydrophobicContact CG2-CD1 3.76Å; I554-F596 HydrophobicContact CG2-CD2 3.57Å; I554-F596 HydrophobicContact CG2-CE1 3.81Å; I554-F596 HydrophobicContact CG2-CE2 3.61Å; I554-F596 HydrophobicContact CG2-CG 3.67Å; I554-F596 HydrophobicContact CG2-CZ 3.75Å; I558-F596 HydrophobicContact CD1-CE1 4.37Å; I558-F596 HydrophobicContact CD1-CE2 3.99Å; I558-F596 HydrophobicContact CD1-CZ 3.53Å; I558-F596 HydrophobicContact CG1-CE1 4.06Å; I558-F596 HydrophobicContact CG1-CZ 3.61Å; L562-F596 HydrophobicContact CD1-CE1 4.01Å; W566-F596 HydrophobicContact CE3-CE2 4.47Å; W566-F596 HydrophobicContact CE3-CZ 4.33Å; W566-F596 AromaticContact CZ3-CE2 3.94Å; W566-F596 HydrophobicContact CZ3-CE2 3.94Å; W566-F596 HydrophobicContact CZ3-CZ 4.26Å; I571-F596 HydrophobicContact CG2-CE2 4.05Å; I571-F596 HydrophobicContact CG2-CZ 3.83Å; G573-F596 PolarHBondContact O-N 2.76Å; F574-F596 HydrophobicContact CE1-CD2 4.12Å; F574-F596 HydrophobicContact CE2-CD2 4.1Å; F574-F596 HydrophobicContact CE2-CE2 4.17Å; F574-F596 AromaticContact CZ-CD2 3.89Å; F574-F596 HydrophobicContact CZ-CD2 3.89Å; F574-F596 HydrophobicContact CZ-CE2 4.26Å; F596-E598 PolarHBondContact O-N 3.27Å; F596-G603 CarbonylContact C-O 3.59Å; F596-G603 WeakPolarHBondContact CA-O 3.18Å; F596-I604 HydrophobicContact CD1-CB 4.35Å; F596-I604 HydrophobicContact CE1-CD1 4.38Å
597S89.6Confident87.9Confident4 Ų426 Ų263%0.02813%0.134CC..  trans-74.5125.6177.7-170.30000110.4W550 S599 H600 G603 P624W550-S597 PolarHBondContact NE1-O 3.27Å; S597-S599 PolarHBondContact OG-N 2.75Å; S597-H600 PolarHBondContact OG-N 3.22Å; S597-G603 PolarHBondContact N-O 2.99Å; S597-P624 VanDerWaalsContact OG-CG 3.25Å; S597-P624 WeakPolarHBondContact OG-CG 3.38Å
598E86.3Confident88.1Confident40 Ų4022.7 Ų22.719%0.18712%0.122CC..SBendtrans-80.6-8169.8-60.1-178.7-105.600112.9M513 K517 K543 W550 F596M513-E598 HydrophobicContact CE-CG 4.15Å; K517-E598 IonicContact NZ-OE2 2.65Å; K517-E598 PolarHBondContact NZ-OE2 3Å; K543-E598 WeakPolarHBondContact CE-O 3.04Å; W550-E598 HydrophobicContact CZ2-CG 4.12Å; F596-E598 PolarHBondContact O-N 3.27Å
599S82.9Confident88.4Confident48 Ų4817 Ų1734%0.33610%0.095SC..SBendtrans-104.6-24.3-173.7-63.20000114.2K543 S597K543-S599 VanDerWaalsContact NZ-CB 3.33Å; K543-S599 PolarHBondContact NZ-OG 3.46Å; S597-S599 PolarHBondContact OG-N 2.75Å
600H82.1Confident88.4Confident81 Ų8116.8 Ų16.838%0.3759%0.088SC..SBendtrans-118.4146.8179.1-62.988.8000109.9S597 G602S597-H600 PolarHBondContact OG-N 3.22Å; H600-G602 PolarHBondContact O-N 3.17Å
601L84.4Confident88.2Confident79 Ų7920.2 Ų20.241%0.41410%0.103SC..THydrogen-bonded Turntrans-67.8122.3171.3-73.1172.9000109.7F545 W550F545-L601 HydrophobicContact CB-CD1 4.39Å; F545-L601 HydrophobicContact CB-CD2 3.78Å; F545-L601 HydrophobicContact CB-CG 4.34Å; F545-L601 HydrophobicContact CD1-CD1 4.19Å; F545-L601 HydrophobicContact CD1-CD2 3.64Å; F545-L601 HydrophobicContact CD1-CG 3.59Å; F545-L601 HydrophobicContact CD2-CD2 3.8Å; F545-L601 HydrophobicContact CE1-CD2 4.13Å; F545-L601 HydrophobicContact CE1-CG 3.99Å; F545-L601 HydrophobicContact CE2-CD2 4.26Å; F545-L601 HydrophobicContact CG-CD1 4.49Å; F545-L601 HydrophobicContact CG-CD2 3.45Å; F545-L601 VanDerWaalsContact CG-CD2 3.45Å; F545-L601 HydrophobicContact CG-CG 3.95Å; F545-L601 HydrophobicContact CZ-CD2 4.41Å; W550-L601 HydrophobicContact CB-CD2 4.34Å
602G84.3Confident87.4Confident6 Ų621.7 Ų21.76%0.06211%0.113CC..THydrogen-bonded Turntrans56.256.717300000113.6L557 H600L557-G602 WeakPolarHBondContact CD1-O 3.44Å; H600-G602 PolarHBondContact O-N 3.17Å
603G89.1Confident86.1Confident0 Ų030.4 Ų30.40%016%0.16CC..EExtended strand (participates in β ladder)trans-124.4145.5175.100000112.7F596 S597 Y625F596-G603 CarbonylContact C-O 3.59Å; F596-G603 WeakPolarHBondContact CA-O 3.18Å; S597-G603 PolarHBondContact N-O 2.99Å; G603-Y625 VanDerWaalsContact CA-O 3.32Å; G603-Y625 WeakPolarHBondContact CA-O 3.38Å
604I91.9Very high84.7Confident0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-109.3140.6170.6-173.4162.5000109.7L557 L562 I571 F596 P624 Y625 L630 F635L557-I604 HydrophobicContact CD2-CB 4.2Å; L557-I604 HydrophobicContact CD2-CG2 4.35Å; L562-I604 HydrophobicContact CD1-CB 4.15Å; L562-I604 HydrophobicContact CD1-CD1 3.68Å; L562-I604 HydrophobicContact CD1-CG2 4.2Å; L562-I604 HydrophobicContact CD2-CD1 4.25Å; L562-I604 HydrophobicContact CD2-CG2 4.48Å; I571-I604 HydrophobicContact CD1-CD1 4.01Å; I571-I604 HydrophobicContact CG1-CD1 4.12Å; F596-I604 HydrophobicContact CD1-CB 4.35Å; F596-I604 HydrophobicContact CE1-CD1 4.38Å; I604-P624 CarbonylContact O-C 3.5Å; I604-P624 WeakPolarHBondContact O-CA 3.49Å; I604-Y625 PolarHBondContact N-O 2.84Å; I604-Y625 PolarHBondContact O-N 2.75Å; I604-L630 HydrophobicContact CG2-CD1 4.05Å; I604-F635 HydrophobicContact CD1-CD1 4.37Å; I604-F635 HydrophobicContact CD1-CE1 3.64Å; I604-F635 HydrophobicContact CD1-CE2 4.26Å; I604-F635 HydrophobicContact CD1-CZ 3.57Å; I604-F635 HydrophobicContact CG1-CE1 4.42Å; I604-F635 HydrophobicContact CG1-CE2 4.26Å; I604-F635 HydrophobicContact CG1-CZ 3.85Å; I604-F635 HydrophobicContact CG2-CD2 3.96Å; I604-F635 HydrophobicContact CG2-CE2 3.61Å; I604-F635 HydrophobicContact CG2-CZ 4.06Å
605T91.4Very high83.4Confident2 Ų238.1 Ų38.11%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-135162.1175.2-178.60000109.1R595 V622R595-T605 HydrophobicContact CG-CG2 3.82Å; R595-T605 PolarHBondContact N-O 3.19Å; R595-T605 VanDerWaalsContact NH1-CG2 3.33Å; R595-T605 PolarHBondContact O-N 3.38Å; T605-V622 PolarHBondContact OG1-O 2.97Å
606F90.8Very high82.4Confident0 Ų042.2 Ų42.20%024%0.242CC..EExtended strand (participates in β ladder)trans-130.8145.617255.6-98.3000110.3F592 L593 L594 W608 V622 Y625 F635 I638 Y642 L655F592-F606 HydrophobicContact CD2-CB 4.4Å; L593-F606 WeakPolarHBondContact O-CA 3.33Å; L593-F606 WeakPolarHBondContact O-CB 3.22Å; L594-F606 HydrophobicContact CD2-CB 3.5Å; L594-F606 VanDerWaalsContact CD2-CB 3.5Å; L594-F606 HydrophobicContact CD2-CD1 4.45Å; L594-F606 HydrophobicContact CD2-CG 4.34Å; F606-W608 HydrophobicContact CD2-CE3 4.04Å; F606-W608 HydrophobicContact CD2-CZ3 4.24Å; F606-W608 HydrophobicContact CE2-CE3 4.19Å; F606-W608 HydrophobicContact CE2-CZ3 4.09Å; F606-V622 HydrophobicContact CD2-CG2 3.78Å; F606-V622 HydrophobicContact CE1-CG2 4.2Å; F606-V622 HydrophobicContact CE2-CB 4.38Å; F606-V622 HydrophobicContact CE2-CG2 3.23Å; F606-V622 HydrophobicContact CG-CG2 4.45Å; F606-V622 HydrophobicContact CZ-CB 4.32Å; F606-V622 HydrophobicContact CZ-CG2 3.48Å; F606-V622 VanDerWaalsContact CZ-CG2 3.48Å; F606-V622 PolarHBondContact O-N 3.17Å; F606-Y625 HydrophobicContact CD1-CE2 4.42Å; F606-Y625 HydrophobicContact CE1-CD2 4.35Å; F606-Y625 AromaticContact CE1-CE2 3.63Å; F606-Y625 HydrophobicContact CE1-CE2 3.63Å; F606-Y625 HydrophobicContact CZ-CE2 4.27Å; F606-F635 HydrophobicContact CD1-CE2 4.47Å; F606-F635 HydrophobicContact CD1-CZ 4.41Å; F606-I638 HydrophobicContact CE1-CG2 4.42Å; F606-Y642 AromaticContact CE2-CD1 3.92Å; F606-Y642 HydrophobicContact CE2-CD1 3.92Å; F606-Y642 AromaticContact CE2-CE1 3.79Å; F606-Y642 HydrophobicContact CE2-CE1 3.79Å; F606-Y642 HydrophobicContact CE2-CE2 4.49Å; F606-Y642 HydrophobicContact CE2-CG 4.33Å; F606-Y642 AromaticContact CZ-CD1 3.98Å; F606-Y642 HydrophobicContact CZ-CD1 3.98Å; F606-Y642 AromaticContact CZ-CD2 3.9Å; F606-Y642 HydrophobicContact CZ-CD2 3.9Å; F606-Y642 HydrophobicContact CZ-CE1 4.06Å; F606-Y642 AromaticContact CZ-CE2 4Å; F606-Y642 HydrophobicContact CZ-CE2 4Å; F606-Y642 AromaticContact CZ-CG 3.91Å; F606-Y642 HydrophobicContact CZ-CG 3.91Å; F606-L655 HydrophobicContact CD2-CD1 4.14Å; F606-L655 HydrophobicContact CD2-CD2 3.88Å; F606-L655 HydrophobicContact CE2-CD1 3.72Å; F606-L655 HydrophobicContact CE2-CD2 3.9Å; F606-L655 HydrophobicContact CE2-CG 4.32Å; F606-L655 HydrophobicContact CZ-CD1 4.04Å
607T88.1Confident81.7Confident1 Ų144.2 Ų44.21%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-123137.6178-55.10000108.2E580 L584 F592 L593 F619 N620 S621E580-T607 VanDerWaalsContact CD-OG1 3.23Å; E580-T607 HydrophobicContact CG-CG2 4.4Å; E580-T607 WeakPolarHBondContact OE1-CB 3.4Å; E580-T607 PolarHBondContact OE1-OG1 3.03Å; L584-T607 HydrophobicContact CD1-CG2 3.99Å; F592-T607 CarbonylContact C-O 3.52Å; F592-T607 WeakPolarHBondContact CA-O 3.16Å; F592-T607 WeakPolarHBondContact CB-O 3.35Å; L593-T607 PolarHBondContact N-O 2.94Å; L593-T607 PolarHBondContact O-N 3.01Å; L593-T607 VanDerWaalsContact O-N 3.08Å; T607-F619 HydrophobicContact CG2-CB 4.28Å; T607-N620 CarbonylContact C-O 3.58Å; T607-N620 WeakPolarHBondContact CA-O 3.19Å; T607-N620 WeakPolarHBondContact CG2-O 3.25Å; T607-S621 WeakPolarHBondContact CG2-OG 3.4Å; T607-S621 PolarHBondContact OG1-OG 2.81Å
608W89.8Confident81.4Confident4 Ų449.4 Ų49.42%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-128.4157.1176.670.597.6000111.2T591 F592 F606 E610 N620 V622 Y642 V644 P654 L655 L693T591-W608 VanDerWaalsContact O-CA 3.31Å; T591-W608 WeakPolarHBondContact O-CA 3.25Å; F592-W608 HydrophobicContact CB-CB 3.71Å; F606-W608 HydrophobicContact CD2-CE3 4.04Å; F606-W608 HydrophobicContact CD2-CZ3 4.24Å; F606-W608 HydrophobicContact CE2-CE3 4.19Å; F606-W608 HydrophobicContact CE2-CZ3 4.09Å; W608-E610 PolarHBondContact NE1-OE1 3.29Å; W608-N620 HydrophobicContact CD2-CB 3.89Å; W608-N620 VanDerWaalsContact CE2-CB 3.44Å; W608-N620 HydrophobicContact CE3-CB 4.13Å; W608-N620 HydrophobicContact CH2-CB 3.56Å; W608-N620 HydrophobicContact CZ2-CB 3.3Å; W608-N620 HydrophobicContact CZ3-CB 3.95Å; W608-N620 WeakPolarHBondContact CZ3-O 3.37Å; W608-N620 PolarHBondContact N-O 3.38Å; W608-N620 PolarHBondContact O-N 2.86Å; W608-N620 VanDerWaalsContact O-N 3.08Å; W608-V622 HydrophobicContact CH2-CG2 4.1Å; W608-V622 HydrophobicContact CZ3-CG2 3.49Å; W608-V622 VanDerWaalsContact CZ3-CG2 3.49Å; W608-Y642 HydrophobicContact CH2-CE1 4.03Å; W608-Y642 HydrophobicContact CZ3-CE1 4.25Å; W608-V644 HydrophobicContact CH2-CG2 4.31Å; W608-V644 HydrophobicContact CZ2-CG2 4.01Å; W608-P654 HydrophobicContact CD2-CB 4.45Å; W608-P654 HydrophobicContact CD2-CG 4.32Å; W608-P654 HydrophobicContact CG-CB 4.41Å; W608-P654 HydrophobicContact CZ2-CB 4.39Å; W608-P654 HydrophobicContact CZ2-CG 3.98Å; W608-L655 HydrophobicContact CB-CD2 4.1Å; W608-L655 HydrophobicContact CD2-CD2 4.28Å; W608-L655 HydrophobicContact CE3-CD2 4.27Å; W608-L655 HydrophobicContact CG-CD2 4.26Å; W608-L693 HydrophobicContact CZ2-CD1 4.14Å
609V88.9Confident81.3Confident0 Ų050.2 Ų50.20%028%0.279CS..EExtended strand (participates in β ladder)trans-99.5134.2178.466.40000111.2L584 E588 G590 T591 V617 F619L584-V609 HydrophobicContact CB-CB 4.35Å; E588-V609 VanDerWaalsContact O-CG1 3.29Å; E588-V609 WeakPolarHBondContact O-CG1 3.31Å; G590-V609 PolarHBondContact N-O 3.19Å; T591-V609 PolarHBondContact O-N 3.45Å; T591-V609 VanDerWaalsContact O-N 3.14Å; V609-V617 HydrophobicContact CG2-CG1 3.3Å; V609-F619 HydrophobicContact CB-CD1 4.45Å; V609-F619 HydrophobicContact CB-CE1 4.45Å; V609-F619 HydrophobicContact CG2-CD1 4.39Å; V609-F619 HydrophobicContact CG2-CE1 4.12Å
610E84.1Confident81.4Confident63 Ų6349.2 Ų49.229%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-124.3134.7170.5-74.7174.7-172.300108.8W608 K618 N620W608-E610 PolarHBondContact NE1-OE1 3.29Å; E610-K618 PolarHBondContact N-O 3.12Å; E610-K618 PolarHBondContact O-N 3.41Å; E610-N620 PolarHBondContact OE1-ND2 3.14Å; E610-N620 PolarHBondContact OE2-ND2 3.08Å
611H80.1Confident81.6Confident77 Ų7748.4 Ų48.436%0.35627%0.273SS..EExtended strand (participates in β ladder)trans-97.5122.7171.7-69.671.1000107.5R587 P589R587-H611 PolarHBondContact O-CE1 2.94Å; R587-H611 VanDerWaalsContact O-CE1 3.24Å; P589-H611 HydrophobicContact CG-CB 4.21Å
612S70.9Confident81.7Confident30 Ų3045.3 Ų45.321%0.2126%0.258CS..  trans-73159.4170.855.70000110.6T614 G615 D616S612-T614 PolarHBondContact O-N 3.03Å; S612-T614 PolarHBondContact OG-OG1 2.9Å; S612-G615 PolarHBondContact O-N 3.21Å; S612-D616 PolarHBondContact N-O 3.3Å; S612-D616 WeakPolarHBondContact OG-CB 3.25Å; S612-D616 PolarHBondContact OG-N 3.41Å; S612-D616 PolarHBondContact OG-O 3.38Å; S612-D616 VanDerWaalsContact OG-O 3.13Å
613D64.9Low81.8Confident183 Ų18350.6 Ų50.698%0.97928%0.281SS*.THydrogen-bonded Turntrans-57-15.3174.5-57.5-35.6000113.2
614T60Low81.8Confident107 Ų10751.6 Ų51.666%0.65629%0.287SS*.THydrogen-bonded Turntrans-86.9-5.6176.457.40000114.4S612 D616S612-T614 PolarHBondContact O-N 3.03Å; S612-T614 PolarHBondContact OG-OG1 2.9Å; T614-D616 PolarHBondContact OG1-OD2 2.81Å
615G64Low81.6Confident57 Ų5752.2 Ų52.259%0.58829%0.29SS*.SBendtrans84.14.8-175.900000114.8S612S612-G615 PolarHBondContact O-N 3.21Å
616D72Confident81.5Confident102 Ų10254 Ų5455%0.54530%0.301SS..  trans-81.4134.1175.5-59.3-57.8000110.9S612 T614S612-D616 PolarHBondContact N-O 3.3Å; S612-D616 WeakPolarHBondContact OG-CB 3.25Å; S612-D616 PolarHBondContact OG-N 3.41Å; S612-D616 PolarHBondContact OG-O 3.38Å; S612-D616 VanDerWaalsContact OG-O 3.13Å; T614-D616 PolarHBondContact OG1-OD2 2.81Å
617V80.3Confident81.3Confident45 Ų4557.9 Ų57.927%0.27332%0.318SS..EExtended strand (participates in β ladder)trans-86.6114.9178.4-173.60000109.3V609 F619V609-V617 HydrophobicContact CG2-CG1 3.3Å; V617-F619 HydrophobicContact CG1-CE1 3.95Å; V617-F619 HydrophobicContact CG1-CE2 3.98Å; V617-F619 HydrophobicContact CG1-CZ 3.58Å
618K82.7Confident81.1Confident112 Ų11264.2 Ų64.249%0.48735%0.351SS..EExtended strand (participates in β ladder)trans-102.2136.7174.5-68.5-174.9-179.1-1800110.5E610E610-K618 PolarHBondContact N-O 3.12Å; E610-K618 PolarHBondContact O-N 3.41Å
619F84.6Confident80.8Confident58 Ų5870.1 Ų70.125%0.25437%0.374SS..EExtended strand (participates in β ladder)trans-112.5118.2175.7-56.6-80.1000109.3R581 L584 K585 T607 V609 V617R581-F619 HydrophobicContact CB-CE1 4.49Å; R581-F619 HydrophobicContact CB-CE2 4.22Å; R581-F619 HydrophobicContact CB-CZ 4.17Å; R581-F619 HydrophobicContact CG-CD1 4.45Å; R581-F619 HydrophobicContact CG-CD2 4Å; R581-F619 HydrophobicContact CG-CE2 4.15Å; R581-F619 HydrophobicContact CG-CG 4.15Å; R581-F619 HydrophobicContact CG-CZ 4.43Å; R581-F619 WeakPolarHBondContact O-CZ 3.26Å; L584-F619 HydrophobicContact CB-CD1 4.1Å; L584-F619 HydrophobicContact CB-CE1 3.66Å; L584-F619 HydrophobicContact CD1-CD1 4.47Å; K585-F619 HydrophobicContact CB-CZ 4.18Å; T607-F619 HydrophobicContact CG2-CB 4.28Å; V609-F619 HydrophobicContact CB-CD1 4.45Å; V609-F619 HydrophobicContact CB-CE1 4.45Å; V609-F619 HydrophobicContact CG2-CD1 4.39Å; V609-F619 HydrophobicContact CG2-CE1 4.12Å; V617-F619 HydrophobicContact CG1-CE1 3.95Å; V617-F619 HydrophobicContact CG1-CE2 3.98Å; V617-F619 HydrophobicContact CG1-CZ 3.58Å
620N85.2Confident80.6Confident27 Ų2770.3 Ų70.314%0.14438%0.375CS..EExtended strand (participates in β ladder)trans-107.8132.9177.4-64.1-42.5000109.2T607 W608 E610T607-N620 CarbonylContact C-O 3.58Å; T607-N620 WeakPolarHBondContact CA-O 3.19Å; T607-N620 WeakPolarHBondContact CG2-O 3.25Å; W608-N620 HydrophobicContact CD2-CB 3.89Å; W608-N620 VanDerWaalsContact CE2-CB 3.44Å; W608-N620 HydrophobicContact CE3-CB 4.13Å; W608-N620 HydrophobicContact CH2-CB 3.56Å; W608-N620 HydrophobicContact CZ2-CB 3.3Å; W608-N620 HydrophobicContact CZ3-CB 3.95Å; W608-N620 WeakPolarHBondContact CZ3-O 3.37Å; W608-N620 PolarHBondContact N-O 3.38Å; W608-N620 PolarHBondContact O-N 2.86Å; W608-N620 VanDerWaalsContact O-N 3.08Å; E610-N620 PolarHBondContact OE1-ND2 3.14Å; E610-N620 PolarHBondContact OE2-ND2 3.08Å
621S85.9Confident80.7Confident63 Ų6371 Ų7144%0.44139%0.387SS..EExtended strand (participates in β ladder)trans-123.9140.9176-58.20000110.3T607T607-S621 WeakPolarHBondContact CG2-OG 3.4Å; T607-S621 PolarHBondContact OG1-OG 2.81Å
622V87.1Confident80.8Confident14 Ų1470.7 Ų70.79%0.08540%0.397CS..PPolyproline II helixtrans-84.3151.9176.8-166.30000111.5T605 F606 W608 Y625 Y642T605-V622 PolarHBondContact OG1-O 2.97Å; F606-V622 HydrophobicContact CD2-CG2 3.78Å; F606-V622 HydrophobicContact CE1-CG2 4.2Å; F606-V622 HydrophobicContact CE2-CB 4.38Å; F606-V622 HydrophobicContact CE2-CG2 3.23Å; F606-V622 HydrophobicContact CG-CG2 4.45Å; F606-V622 HydrophobicContact CZ-CB 4.32Å; F606-V622 HydrophobicContact CZ-CG2 3.48Å; F606-V622 VanDerWaalsContact CZ-CG2 3.48Å; F606-V622 PolarHBondContact O-N 3.17Å; W608-V622 HydrophobicContact CH2-CG2 4.1Å; W608-V622 HydrophobicContact CZ3-CG2 3.49Å; W608-V622 VanDerWaalsContact CZ3-CG2 3.49Å; V622-Y625 HydrophobicContact CB-CE2 4.38Å; V622-Y625 HydrophobicContact CG1-CE2 3.84Å; V622-Y642 HydrophobicContact CG1-CE2 4.31Å; V622-Y642 HydrophobicContact CG2-CE1 4.23Å; V622-Y642 HydrophobicContact CG2-CE2 4.11Å; V622-Y642 WeakPolarHBondContact CG2-OH 3.42Å
623E85.4Confident81.4Confident117 Ų11771.3 Ų71.355%0.54740%0.398SS..PPolyproline II helixtrans-51.8131.4164.2-167.1-172.5-173.500110.1Y625 R629E623-Y625 PolarHBondContact O-N 2.72Å; E623-R629 IonicContact OE1-NH2 3.84Å; E623-R629 IonicContact OE2-CZ 2.72Å; E623-R629 IonicContact OE2-NH2 2.75Å; E623-R629 PolarHBondContact OE2-NH2 3.44Å
624P88.8Confident82.3Confident21 Ų2165.3 Ų65.314%0.13637%0.369CS..PPolyproline II helixtrans-58.9130.9-176-27.937.2000114S597 I604 T626S597-P624 VanDerWaalsContact OG-CG 3.25Å; S597-P624 WeakPolarHBondContact OG-CG 3.38Å; I604-P624 CarbonylContact O-C 3.5Å; I604-P624 WeakPolarHBondContact O-CA 3.49Å; P624-T626 PolarHBondContact O-N 3.44Å
625Y88.1Confident83.6Confident14 Ų1460.4 Ų60.46%0.05534%0.339CS..EExtended strand (participates in β ladder)trans-77.9114.5171.6-65.2-85.5000109.7G603 I604 F606 V622 E623 R629 L630 I638G603-Y625 VanDerWaalsContact CA-O 3.32Å; G603-Y625 WeakPolarHBondContact CA-O 3.38Å; I604-Y625 PolarHBondContact N-O 2.84Å; I604-Y625 PolarHBondContact O-N 2.75Å; F606-Y625 HydrophobicContact CD1-CE2 4.42Å; F606-Y625 HydrophobicContact CE1-CD2 4.35Å; F606-Y625 AromaticContact CE1-CE2 3.63Å; F606-Y625 HydrophobicContact CE1-CE2 3.63Å; F606-Y625 HydrophobicContact CZ-CE2 4.27Å; V622-Y625 HydrophobicContact CB-CE2 4.38Å; V622-Y625 HydrophobicContact CG1-CE2 3.84Å; E623-Y625 PolarHBondContact O-N 2.72Å; Y625-R629 HydrophobicContact CD1-CB 4.06Å; Y625-L630 HydrophobicContact CG-CD2 4.47Å; Y625-I638 HydrophobicContact CD1-CD1 3.89Å; Y625-I638 HydrophobicContact CE1-CD1 4.02Å; Y625-I638 HydrophobicContact CE1-CG2 4Å; Y625-I638 HydrophobicContact CE2-CG2 4.03Å; Y625-I638 HydrophobicContact CG-CD1 4.43Å
626T90.2Very high84.6Confident40 Ų4058 Ų5825%0.24531%0.313CS..EExtended strand (participates in β ladder)trans-92.3170.317561.70000110.9P624 N628 R629 L630P624-T626 PolarHBondContact O-N 3.44Å; T626-N628 PolarHBondContact O-N 2.8Å; T626-R629 PolarHBondContact O-N 3.48Å; T626-L630 PolarHBondContact O-N 2.8Å
627K86.9Confident85.1Confident81 Ų8153.8 Ų53.835%0.35229%0.291SS..Hα-helixtrans-43.8-40.3175.1-178178.7176.3-178.10114.1E556 L557 R629 L630 S631E556-K627 IonicContact OE1-NZ 2.74Å; E556-K627 PolarHBondContact OE1-NZ 3.13Å; L557-K627 HydrophobicContact CD1-CB 4.28Å; K627-R629 PolarHBondContact O-N 3.12Å; K627-L630 PolarHBondContact O-N 3.46Å; K627-S631 WeakPolarHBondContact O-CB 3.48Å; K627-S631 PolarHBondContact O-N 3.24Å; K627-S631 PolarHBondContact O-OG 3.46Å
628N84.2Confident85.4Confident134 Ų13451.8 Ų51.872%0.71728%0.278SS*.Hα-helixtrans-64.9-40.6-179-65.6-9.1000111.9T626T626-N628 PolarHBondContact O-N 2.8Å
629R82.7Confident85.5Confident127 Ų12746.5 Ų46.548%0.47926%0.255SS..Hα-helixtrans-75.8-39.9177.5-63.3-158.2-172.1-159.816.2111.8E623 Y625 T626 K627 S631 A632 L633E623-R629 IonicContact OE1-NH2 3.84Å; E623-R629 IonicContact OE2-CZ 2.72Å; E623-R629 IonicContact OE2-NH2 2.75Å; E623-R629 PolarHBondContact OE2-NH2 3.44Å; Y625-R629 HydrophobicContact CD1-CB 4.06Å; T626-R629 PolarHBondContact O-N 3.48Å; K627-R629 PolarHBondContact O-N 3.12Å; R629-S631 PolarHBondContact O-N 3.31Å; R629-A632 PolarHBondContact O-N 3.5Å; R629-A632 VanDerWaalsContact O-N 3.1Å; R629-L633 PolarHBondContact O-N 3.12Å; R629-L633 VanDerWaalsContact O-N 3.16Å
630L85.6Confident85.4Confident5 Ų547.3 Ų47.33%0.02626%0.257CS..Hα-helixtrans-70.4-19.1178.1-62.1-175.3000113.8L557 H561 L562 I604 Y625 T626 K627 A632 L633 F635 I638L557-L630 HydrophobicContact CD1-CD1 3.65Å; L557-L630 HydrophobicContact CD2-CD1 4.37Å; L557-L630 HydrophobicContact CG-CD1 4.1Å; H561-L630 HydrophobicContact CB-CB 4.03Å; H561-L630 HydrophobicContact CB-CD1 3.9Å; H561-L630 PolarHBondContact ND1-O 3.38Å; L562-L630 HydrophobicContact CD2-CD1 4.21Å; L562-L630 HydrophobicContact CG-CD1 4.48Å; I604-L630 HydrophobicContact CG2-CD1 4.05Å; Y625-L630 HydrophobicContact CG-CD2 4.47Å; T626-L630 PolarHBondContact O-N 2.8Å; K627-L630 PolarHBondContact O-N 3.46Å; L630-A632 VanDerWaalsContact C-N 3.33Å; L630-L633 CarbonylContact C-O 3.51Å; L630-L633 WeakPolarHBondContact CA-O 3.29Å; L630-F635 HydrophobicContact CD2-CB 4.05Å; L630-F635 HydrophobicContact CD2-CD2 3.74Å; L630-F635 HydrophobicContact CD2-CG 4.32Å; L630-I638 HydrophobicContact CD2-CD1 3.81Å
631S85.1Confident85.2Confident78 Ų7848 Ų4855%0.54526%0.26SS..Hα-helixtrans-75.1-25.9171.3-60.50000112.2H561 K627 R629H561-S631 PolarHBondContact CE1-OG 2.97Å; H561-S631 VanDerWaalsContact CE1-OG 3.31Å; K627-S631 WeakPolarHBondContact O-CB 3.48Å; K627-S631 PolarHBondContact O-N 3.24Å; K627-S631 PolarHBondContact O-OG 3.46Å; R629-S631 PolarHBondContact O-N 3.31Å
632A83.1Confident85.1Confident70 Ų7045 Ų4558%0.57924%0.239SC*.Hα-helixtrans-85.5-38.8178.700000112.3R629 L630R629-A632 PolarHBondContact O-N 3.5Å; R629-A632 VanDerWaalsContact O-N 3.1Å; L630-A632 VanDerWaalsContact C-N 3.33Å
633L82.2Confident84.7Confident42 Ų4248 Ų4822%0.2225%0.251CS..SBendtrans-135.6128.1178.3-75.4172.3000110.8R629 L630 I638 L687R629-L633 PolarHBondContact O-N 3.12Å; R629-L633 VanDerWaalsContact O-N 3.16Å; L630-L633 CarbonylContact C-O 3.51Å; L630-L633 WeakPolarHBondContact CA-O 3.29Å; L633-I638 HydrophobicContact CB-CD1 4.13Å; L633-I638 HydrophobicContact CB-CG1 3.87Å; L633-L687 HydrophobicContact CD1-CB 3.82Å; L633-L687 HydrophobicContact CD2-CB 4.25Å; L633-L687 HydrophobicContact CG-CB 4.32Å
634P85.1Confident84.3Confident57 Ų5742.7 Ų42.737%0.3723%0.227SC..  trans-59.1143173.6-29.141.1000112.2A636 D637 I638 N673P634-A636 VanDerWaalsContact C-N 3.32Å; P634-A636 PolarHBondContact O-N 3.34Å; P634-D637 PolarHBondContact O-N 2.66Å; P634-D637 VanDerWaalsContact O-N 3.1Å; P634-I638 PolarHBondContact O-N 2.9Å; P634-N673 WeakPolarHBondContact CG-ND2 3.25Å
635F86.8Confident83.5Confident5 Ų544 Ų442%0.02223%0.232CC..Hα-helixtrans-63.2-35.4-171.4-172.4-115.1000113.7L562 L594 I604 F606 L630 D637 I638 I639L562-F635 HydrophobicContact CD2-CB 3.54Å; L562-F635 HydrophobicContact CD2-CD1 3.56Å; L562-F635 HydrophobicContact CD2-CD2 4.29Å; L562-F635 HydrophobicContact CD2-CE1 4.33Å; L562-F635 HydrophobicContact CD2-CG 3.52Å; L594-F635 HydrophobicContact CD1-CE1 3.79Å; L594-F635 HydrophobicContact CD1-CZ 4.38Å; L594-F635 HydrophobicContact CD2-CE1 4.14Å; L594-F635 HydrophobicContact CD2-CZ 3.92Å; I604-F635 HydrophobicContact CD1-CD1 4.37Å; I604-F635 HydrophobicContact CD1-CE1 3.64Å; I604-F635 HydrophobicContact CD1-CE2 4.26Å; I604-F635 HydrophobicContact CD1-CZ 3.57Å; I604-F635 HydrophobicContact CG1-CE1 4.42Å; I604-F635 HydrophobicContact CG1-CE2 4.26Å; I604-F635 HydrophobicContact CG1-CZ 3.85Å; I604-F635 HydrophobicContact CG2-CD2 3.96Å; I604-F635 HydrophobicContact CG2-CE2 3.61Å; I604-F635 HydrophobicContact CG2-CZ 4.06Å; F606-F635 HydrophobicContact CD1-CE2 4.47Å; F606-F635 HydrophobicContact CD1-CZ 4.41Å; L630-F635 HydrophobicContact CD2-CB 4.05Å; L630-F635 HydrophobicContact CD2-CD2 3.74Å; L630-F635 HydrophobicContact CD2-CG 4.32Å; F635-D637 VanDerWaalsContact C-N 3.34Å; F635-D637 PolarHBondContact O-N 2.97Å; F635-I638 WeakPolarHBondContact O-CB 2.98Å; F635-I638 PolarHBondContact O-N 3.12Å; F635-I639 HydrophobicContact CD1-CD1 3.95Å; F635-I639 HydrophobicContact CE1-CD1 3.5Å; F635-I639 HydrophobicContact CE1-CG1 4.34Å; F635-I639 HydrophobicContact CZ-CD1 3.89Å; F635-I639 HydrophobicContact CZ-CG1 4.33Å; F635-I639 PolarHBondContact O-N 3.49Å; F635-I639 VanDerWaalsContact O-N 3.1Å
636A84.8Confident82Confident7 Ų746.4 Ų46.46%0.05825%0.251CS..Hα-helixtrans-64.3-38.7175.800000112.1P634 I639 R640 F668 L671 Y672P634-A636 VanDerWaalsContact C-N 3.32Å; P634-A636 PolarHBondContact O-N 3.34Å; A636-I639 PolarHBondContact O-N 2.94Å; A636-R640 PolarHBondContact O-N 2.73Å; A636-F668 HydrophobicContact CB-CD1 4.39Å; A636-L671 HydrophobicContact CB-CB 3.74Å; A636-Y672 HydrophobicContact CB-CD1 4.1Å; A636-Y672 HydrophobicContact CB-CE1 4.37Å; A636-Y672 WeakPolarHBondContact O-CE1 3.46Å
637D82.7Confident80Confident13 Ų1351.3 Ų51.37%0.0728%0.276CS..Hα-helixtrans-69.2-36.2176.5-63.5-33.8000110.9P634 F635 I639 R640 D641 N673P634-D637 PolarHBondContact O-N 2.66Å; P634-D637 VanDerWaalsContact O-N 3.1Å; F635-D637 VanDerWaalsContact C-N 3.34Å; F635-D637 PolarHBondContact O-N 2.97Å; D637-I639 VanDerWaalsContact C-N 3.33Å; D637-I639 PolarHBondContact O-N 2.88Å; D637-R640 PolarHBondContact O-N 3.49Å; D637-R640 IonicContact OD1-CZ 2.72Å; D637-R640 IonicContact OD1-NH1 3.71Å; D637-R640 PolarHBondContact OD1-NH1 2.86Å; D637-R640 IonicContact OD1-NH2 2.94Å; D637-R640 PolarHBondContact OD1-NH2 3.35Å; D637-D641 WeakPolarHBondContact O-CB 3.38Å; D637-D641 PolarHBondContact O-N 3.16Å; D637-N673 PolarHBondContact OD1-N 3.4Å; D637-N673 VanDerWaalsContact OD1-N 3.16Å; D637-N673 PolarHBondContact OD2-ND2 2.9Å
638I85.6Confident78.3Confident3 Ų351.1 Ų51.12%0.01530%0.297CS..Hα-helixtrans-57.1-47.7171.6-66.5172.1000110F606 Y625 L630 L633 P634 F635 R640 Y642 P689F606-I638 HydrophobicContact CE1-CG2 4.42Å; Y625-I638 HydrophobicContact CD1-CD1 3.89Å; Y625-I638 HydrophobicContact CE1-CD1 4.02Å; Y625-I638 HydrophobicContact CE1-CG2 4Å; Y625-I638 HydrophobicContact CE2-CG2 4.03Å; Y625-I638 HydrophobicContact CG-CD1 4.43Å; L630-I638 HydrophobicContact CD2-CD1 3.81Å; L633-I638 HydrophobicContact CB-CD1 4.13Å; L633-I638 HydrophobicContact CB-CG1 3.87Å; P634-I638 PolarHBondContact O-N 2.9Å; F635-I638 WeakPolarHBondContact O-CB 2.98Å; F635-I638 PolarHBondContact O-N 3.12Å; I638-R640 VanDerWaalsContact C-N 3.35Å; I638-R640 PolarHBondContact O-N 2.8Å; I638-Y642 WeakPolarHBondContact O-CA 3.22Å; I638-Y642 WeakPolarHBondContact O-CB 3.44Å; I638-Y642 PolarHBondContact O-N 3.28Å; I638-P689 HydrophobicContact CB-CG 4.43Å; I638-P689 HydrophobicContact CG2-CG 4.02Å
639I85.8Confident77Confident0 Ų046.8 Ų46.80%028%0.284CS..Hα-helixtrans-64.2-38.9179.3-69.7172.4000111.8F592 L594 F635 A636 D637 N653 L655 K664 F668F592-I639 HydrophobicContact CE2-CD1 4.43Å; F592-I639 HydrophobicContact CE2-CG2 4.39Å; F592-I639 HydrophobicContact CZ-CG2 3.96Å; L594-I639 HydrophobicContact CD1-CD1 4.26Å; L594-I639 HydrophobicContact CD2-CD1 4.18Å; F635-I639 HydrophobicContact CD1-CD1 3.95Å; F635-I639 HydrophobicContact CE1-CD1 3.5Å; F635-I639 HydrophobicContact CE1-CG1 4.34Å; F635-I639 HydrophobicContact CZ-CD1 3.89Å; F635-I639 HydrophobicContact CZ-CG1 4.33Å; F635-I639 PolarHBondContact O-N 3.49Å; F635-I639 VanDerWaalsContact O-N 3.1Å; A636-I639 PolarHBondContact O-N 2.94Å; D637-I639 VanDerWaalsContact C-N 3.33Å; D637-I639 PolarHBondContact O-N 2.88Å; I639-N653 PolarHBondContact O-ND2 2.55Å; I639-L655 HydrophobicContact CG2-CD1 4.18Å; I639-K664 HydrophobicContact CG2-CD 3.84Å; I639-K664 HydrophobicContact CG2-CG 3.89Å; I639-F668 HydrophobicContact CD1-CD1 4.05Å; I639-F668 HydrophobicContact CD1-CD2 4.46Å; I639-F668 HydrophobicContact CD1-CE1 3.53Å; I639-F668 HydrophobicContact CD1-CE2 4.03Å; I639-F668 HydrophobicContact CD1-CG 4.5Å; I639-F668 HydrophobicContact CD1-CZ 3.54Å; I639-F668 HydrophobicContact CG2-CD2 4.02Å; I639-F668 HydrophobicContact CG2-CE2 4.21Å; I639-F668 HydrophobicContact CG2-CG 4.43Å
640R82.8Confident75.8Confident75 Ų7546.1 Ų46.128%0.28329%0.294SS..Hα-helixtrans-64.5-50.6178.7-171.4-175.165.3-149.2-11.9111.9A636 D637 I638 N653 Y672A636-R640 PolarHBondContact O-N 2.73Å; D637-R640 PolarHBondContact O-N 3.49Å; D637-R640 IonicContact OD1-CZ 2.72Å; D637-R640 IonicContact OD1-NH1 3.71Å; D637-R640 PolarHBondContact OD1-NH1 2.86Å; D637-R640 IonicContact OD1-NH2 2.94Å; D637-R640 PolarHBondContact OD1-NH2 3.35Å; I638-R640 VanDerWaalsContact C-N 3.35Å; I638-R640 PolarHBondContact O-N 2.8Å; R640-N653 PolarHBondContact O-ND2 3.22Å; R640-Y672 HydrophobicContact CB-CD1 4.11Å; R640-Y672 HydrophobicContact CB-CE1 3.65Å; R640-Y672 HydrophobicContact CB-CE2 4.43Å; R640-Y672 HydrophobicContact CG-CD1 4.49Å; R640-Y672 HydrophobicContact CG-CD2 4.41Å; R640-Y672 HydrophobicContact CG-CE1 4.17Å; R640-Y672 HydrophobicContact CG-CE2 4.05Å
641D81.3Confident75Confident41 Ų4148.5 Ų48.522%0.21931%0.31CS..Hα-helixtrans-97.11.2-167.8-58.5-28.4000112.6D637 K643 I688D637-D641 WeakPolarHBondContact O-CB 3.38Å; D637-D641 PolarHBondContact O-N 3.16Å; D641-K643 PolarHBondContact O-N 2.87Å; D641-I688 VanDerWaalsContact O-CG2 3.23Å; D641-I688 WeakPolarHBondContact O-CG2 3.32Å
642Y82.4Confident74.5Confident1 Ų151.3 Ų51.30%0.00431%0.314CS..  trans-57.5129.4177.4-169.7-114.2000111.4F606 W608 V622 I638 V644 N653 P654 L655 P689 S691F606-Y642 AromaticContact CE2-CD1 3.92Å; F606-Y642 HydrophobicContact CE2-CD1 3.92Å; F606-Y642 AromaticContact CE2-CE1 3.79Å; F606-Y642 HydrophobicContact CE2-CE1 3.79Å; F606-Y642 HydrophobicContact CE2-CE2 4.49Å; F606-Y642 HydrophobicContact CE2-CG 4.33Å; F606-Y642 AromaticContact CZ-CD1 3.98Å; F606-Y642 HydrophobicContact CZ-CD1 3.98Å; F606-Y642 AromaticContact CZ-CD2 3.9Å; F606-Y642 HydrophobicContact CZ-CD2 3.9Å; F606-Y642 HydrophobicContact CZ-CE1 4.06Å; F606-Y642 AromaticContact CZ-CE2 4Å; F606-Y642 HydrophobicContact CZ-CE2 4Å; F606-Y642 AromaticContact CZ-CG 3.91Å; F606-Y642 HydrophobicContact CZ-CG 3.91Å; W608-Y642 HydrophobicContact CH2-CE1 4.03Å; W608-Y642 HydrophobicContact CZ3-CE1 4.25Å; V622-Y642 HydrophobicContact CG1-CE2 4.31Å; V622-Y642 HydrophobicContact CG2-CE1 4.23Å; V622-Y642 HydrophobicContact CG2-CE2 4.11Å; V622-Y642 WeakPolarHBondContact CG2-OH 3.42Å; I638-Y642 WeakPolarHBondContact O-CA 3.22Å; I638-Y642 WeakPolarHBondContact O-CB 3.44Å; I638-Y642 PolarHBondContact O-N 3.28Å; Y642-V644 HydrophobicContact CD1-CG2 4.26Å; Y642-V644 HydrophobicContact CE1-CG2 3.45Å; Y642-V644 VanDerWaalsContact CE1-CG2 3.45Å; Y642-N653 WeakPolarHBondContact O-CA 3.15Å; Y642-N653 WeakPolarHBondContact O-CB 3.21Å; Y642-N653 PolarHBondContact O-ND2 2.79Å; Y642-N653 PolarHBondContact O-OD1 2.88Å; Y642-P654 HydrophobicContact CD1-CG 3.96Å; Y642-P654 HydrophobicContact CE1-CG 3.91Å; Y642-L655 HydrophobicContact CD1-CD1 4.08Å; Y642-L655 HydrophobicContact CD1-CG 4.21Å; Y642-L655 HydrophobicContact CG-CD1 4.43Å; Y642-P689 HydrophobicContact CD2-CB 4.22Å; Y642-P689 HydrophobicContact CD2-CG 4.31Å; Y642-S691 VanDerWaalsContact OH-CB 3.22Å; Y642-S691 WeakPolarHBondContact OH-CB 3.31Å; Y642-S691 PolarHBondContact OH-OG 3.06Å
643K79.9Confident74.3Confident76 Ų7649.9 Ų49.933%0.3330%0.297SS..EExtended strand (participates in β ladder)trans-132145.3176.1-62.4-176.5-171.3-175.40111D641 P651 E652 I688 P689 I690 S691D641-K643 PolarHBondContact O-N 2.87Å; K643-P651 HydrophobicContact CB-CB 3.94Å; K643-P651 HydrophobicContact CD-CB 3.9Å; K643-P651 HydrophobicContact CG-CB 4.45Å; K643-E652 WeakPolarHBondContact CA-O 3.44Å; K643-I688 HydrophobicContact CD-CG2 4.36Å; K643-I688 HydrophobicContact CG-CG2 4.47Å; K643-P689 PolarHBondContact N-O 3.18Å; K643-P689 VanDerWaalsContact N-O 3.12Å; K643-I690 HydrophobicContact CB-CG1 4.41Å; K643-I690 VanDerWaalsContact O-CA 3.29Å; K643-I690 WeakPolarHBondContact O-CA 3.17Å; K643-S691 PolarHBondContact O-N 3.34Å; K643-S691 VanDerWaalsContact O-N 3.14Å
644V76.2Confident74.2Confident6 Ų648.8 Ų48.84%0.03629%0.292CS..EExtended strand (participates in β ladder)trans-118.7138174.9172.30000108.8W608 Y642 E652 P654 S691 L693W608-V644 HydrophobicContact CH2-CG2 4.31Å; W608-V644 HydrophobicContact CZ2-CG2 4.01Å; Y642-V644 HydrophobicContact CD1-CG2 4.26Å; Y642-V644 HydrophobicContact CE1-CG2 3.45Å; Y642-V644 VanDerWaalsContact CE1-CG2 3.45Å; V644-E652 PolarHBondContact N-O 3.23Å; V644-E652 PolarHBondContact O-N 3.27Å; V644-P654 HydrophobicContact CB-CG 4.36Å; V644-P654 HydrophobicContact CG2-CG 3.72Å; V644-S691 WeakPolarHBondContact CA-O 3.46Å; V644-L693 HydrophobicContact CG1-CB 4.19Å; V644-L693 HydrophobicContact CG1-CD1 3.33Å; V644-L693 HydrophobicContact CG1-CG 4.36Å
645I72.1Confident74.3Confident49 Ų4946.1 Ų46.125%0.25128%0.275SS..EExtended strand (participates in β ladder)trans-98.5109.7171.3-57172.2000107.4P651 I690 S691 L693I645-P651 HydrophobicContact CG1-CB 4.34Å; I645-P651 HydrophobicContact CG1-CG 4.33Å; I645-I690 HydrophobicContact CD1-CG2 3.77Å; I645-I690 HydrophobicContact CG1-CG2 3.86Å; I645-S691 PolarHBondContact N-O 2.94Å; I645-S691 VanDerWaalsContact N-O 3.1Å; I645-L693 PolarHBondContact O-N 3.31Å
646S56.6Low74.1Confident64 Ų6451.9 Ų51.945%0.44830%0.3SS..EExtended strand (participates in β ladder)trans-103.7126.1171.946.80000109.7G648 G649S646-G648 VanDerWaalsContact C-N 3.33Å; S646-G648 PolarHBondContact O-N 3.1Å; S646-G649 PolarHBondContact O-N 2.75Å
647N49.4Very low74.2Confident143 Ų14354.4 Ų54.477%0.76531%0.31SS*.THydrogen-bonded Turntrans46.940.7169.2-61.1-24000116.9G649N647-G649 VanDerWaalsContact C-N 3.28Å; N647-G649 PolarHBondContact O-N 2.99Å
648G50.2Low74.6Confident78 Ų7854 Ų5480%0.80431%0.307SS*.THydrogen-bonded Turntrans73.912.6176.300000115.4S646S646-G648 VanDerWaalsContact C-N 3.33Å; S646-G648 PolarHBondContact O-N 3.1Å
649G56.1Low74.5Confident43 Ų4356.4 Ų56.444%0.44332%0.317SS..  trans-87.6-177.4175.600000115S646 N647S646-G649 PolarHBondContact O-N 2.75Å; N647-G649 VanDerWaalsContact C-N 3.28Å; N647-G649 PolarHBondContact O-N 2.99Å
650V58Low74.2Confident113 Ų11359.1 Ų59.169%0.68533%0.334SS*.  trans-61.5137.9177.4179.80000110E652V650-E652 PolarHBondContact O-N 2.88Å; V650-E652 VanDerWaalsContact O-N 3.16Å
651P68.7Low74.2Confident55 Ų5559.9 Ų59.936%0.35734%0.344SS..  trans-66.7114.1178.2-16.229.3000111.1K643 I645K643-P651 HydrophobicContact CB-CB 3.94Å; K643-P651 HydrophobicContact CD-CB 3.9Å; K643-P651 HydrophobicContact CG-CB 4.45Å; I645-P651 HydrophobicContact CG1-CB 4.34Å; I645-P651 HydrophobicContact CG1-CG 4.33Å
652E74.6Confident74.4Confident137 Ų13760.4 Ų60.464%0.6435%0.346SS*.BIsolated β-bridgetrans-109.5151.2179.5-69.9-171.8177.800111.4K643 V644 V650 P654K643-E652 WeakPolarHBondContact CA-O 3.44Å; V644-E652 PolarHBondContact N-O 3.23Å; V644-E652 PolarHBondContact O-N 3.27Å; V650-E652 PolarHBondContact O-N 2.88Å; V650-E652 VanDerWaalsContact O-N 3.16Å; E652-P654 VanDerWaalsContact O-CD 3.32Å; E652-P654 WeakPolarHBondContact O-CD 2.98Å
653N78.8Confident74.6Confident40 Ų4063 Ų6321%0.21436%0.363CS..  trans-86.6112.4172.2-172.2-21000108.6I639 R640 Y642 L655 K664I639-N653 PolarHBondContact O-ND2 2.55Å; R640-N653 PolarHBondContact O-ND2 3.22Å; Y642-N653 WeakPolarHBondContact O-CA 3.15Å; Y642-N653 WeakPolarHBondContact O-CB 3.21Å; Y642-N653 PolarHBondContact O-ND2 2.79Å; Y642-N653 PolarHBondContact O-OD1 2.88Å; N653-L655 PolarHBondContact O-N 2.77Å; N653-L655 VanDerWaalsContact OD1-CB 3.25Å; N653-L655 WeakPolarHBondContact OD1-CB 3.37Å; N653-L655 WeakPolarHBondContact OD1-CG 3.35Å; N653-L655 PolarHBondContact OD1-N 2.85Å; N653-K664 PolarHBondContact ND2-NZ 2.87Å
654P81.5Confident74.8Confident18 Ų1860.6 Ų60.612%0.11735%0.353CS..  trans-72.8-14.8-18031.9-37.4000113.2G590 W608 Y642 V644 E652 K656G590-P654 WeakPolarHBondContact CA-O 3.42Å; W608-P654 HydrophobicContact CD2-CB 4.45Å; W608-P654 HydrophobicContact CD2-CG 4.32Å; W608-P654 HydrophobicContact CG-CB 4.41Å; W608-P654 HydrophobicContact CZ2-CB 4.39Å; W608-P654 HydrophobicContact CZ2-CG 3.98Å; Y642-P654 HydrophobicContact CD1-CG 3.96Å; Y642-P654 HydrophobicContact CE1-CG 3.91Å; V644-P654 HydrophobicContact CB-CG 4.36Å; V644-P654 HydrophobicContact CG2-CG 3.72Å; E652-P654 VanDerWaalsContact O-CD 3.32Å; E652-P654 WeakPolarHBondContact O-CD 2.98Å; P654-K656 PolarHBondContact O-N 3.21Å
655L85.5Confident75.1Confident2 Ų265.1 Ų65.11%0.0138%0.377CS..  trans-86.6112-174.2-49.1178.6000110.5F592 F606 W608 I639 Y642 N653 K664F592-L655 HydrophobicContact CB-CD2 3.76Å; F592-L655 HydrophobicContact CD1-CB 3.77Å; F592-L655 HydrophobicContact CD1-CD2 3.96Å; F592-L655 HydrophobicContact CD1-CG 4.36Å; F592-L655 HydrophobicContact CD2-CD2 4.36Å; F592-L655 HydrophobicContact CE1-CB 3.84Å; F592-L655 HydrophobicContact CG-CB 4.42Å; F592-L655 HydrophobicContact CG-CD2 3.78Å; F606-L655 HydrophobicContact CD2-CD1 4.14Å; F606-L655 HydrophobicContact CD2-CD2 3.88Å; F606-L655 HydrophobicContact CE2-CD1 3.72Å; F606-L655 HydrophobicContact CE2-CD2 3.9Å; F606-L655 HydrophobicContact CE2-CG 4.32Å; F606-L655 HydrophobicContact CZ-CD1 4.04Å; W608-L655 HydrophobicContact CB-CD2 4.1Å; W608-L655 HydrophobicContact CD2-CD2 4.28Å; W608-L655 HydrophobicContact CE3-CD2 4.27Å; W608-L655 HydrophobicContact CG-CD2 4.26Å; I639-L655 HydrophobicContact CG2-CD1 4.18Å; Y642-L655 HydrophobicContact CD1-CD1 4.08Å; Y642-L655 HydrophobicContact CD1-CG 4.21Å; Y642-L655 HydrophobicContact CG-CD1 4.43Å; N653-L655 PolarHBondContact O-N 2.77Å; N653-L655 VanDerWaalsContact OD1-CB 3.25Å; N653-L655 WeakPolarHBondContact OD1-CB 3.37Å; N653-L655 WeakPolarHBondContact OD1-CG 3.35Å; N653-L655 PolarHBondContact OD1-N 2.85Å; L655-K664 HydrophobicContact CB-CD 4.26Å; L655-K664 WeakPolarHBondContact O-CD 3.22Å; L655-K664 PolarHBondContact O-NZ 2.77Å
656K83.6Confident75.7Confident125 Ų12569.6 Ų69.654%0.54340%0.396SS..  trans-116.6-49.6-178.3-64.4-177.7-179176.30112.6G590 P654 K664G590-K656 PolarHBondContact O-N 3.24Å; P654-K656 PolarHBondContact O-N 3.21Å; K656-K664 WeakPolarHBondContact O-CB 3.26Å; K656-K664 PolarHBondContact O-N 3.37Å
657F87.3Confident76.7Confident61 Ų6166.8 Ų66.827%0.26838%0.377SS..EExtended strand (participates in β ladder)trans-124.7131.8-176.3-56-79.9000110.7G590 T591 F592 I662G590-F657 PolarHBondContact O-N 3.12Å; T591-F657 CarbonylContact C-O 3.54Å; T591-F657 WeakPolarHBondContact CA-O 3.28Å; F592-F657 WeakPolarHBondContact CD1-O 3.31Å; F592-F657 WeakPolarHBondContact CE1-O 3.43Å; F592-F657 PolarHBondContact N-O 2.85Å; F657-I662 CarbonylContact C-O 3.44Å; F657-I662 VanDerWaalsContact CA-O 3.29Å; F657-I662 WeakPolarHBondContact CA-O 3.27Å
658L89.3Confident78.4Confident4 Ų460 Ų602%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-80.8134166.3179.870.4000108.5F570 F592 L594 P660 D661 I662 A667 F668F570-L658 HydrophobicContact CB-CD2 3.66Å; F570-L658 HydrophobicContact CD1-CD2 3.74Å; F570-L658 HydrophobicContact CG-CD2 3.91Å; F592-L658 HydrophobicContact CD2-CD1 4.09Å; F592-L658 HydrophobicContact CE1-CB 4.29Å; F592-L658 HydrophobicContact CE2-CD1 3.63Å; F592-L658 HydrophobicContact CZ-CB 4.09Å; F592-L658 HydrophobicContact CZ-CD1 4Å; L594-L658 HydrophobicContact CD1-CD1 4.39Å; L594-L658 HydrophobicContact CG-CD1 4.06Å; L658-P660 CarbonylContact O-C 3.56Å; L658-D661 PolarHBondContact O-N 3.19Å; L658-I662 HydrophobicContact CB-CB 4.38Å; L658-I662 PolarHBondContact N-O 3.15Å; L658-I662 PolarHBondContact O-N 2.83Å; L658-A667 HydrophobicContact CD2-CB 3.91Å; L658-F668 HydrophobicContact CB-CE2 4.47Å; L658-F668 HydrophobicContact CD1-CE2 4.34Å; L658-F668 HydrophobicContact CD1-CZ 4.37Å; L658-F668 HydrophobicContact CD2-CE2 4.03Å; L658-F668 HydrophobicContact CD2-CZ 4.15Å
659Y83.8Confident79.7Confident53 Ų5357.8 Ų57.821%0.20832%0.318CS..THydrogen-bonded Turntrans-54.6137.9176.6-177.9-77.2000111.8M572 L583 R587 F592M572-Y659 HydrophobicContact CE-CD1 2.87Å; M572-Y659 HydrophobicContact CE-CD2 4.16Å; M572-Y659 HydrophobicContact CE-CE1 3.35Å; M572-Y659 HydrophobicContact CE-CG 3.32Å; L583-Y659 HydrophobicContact CB-CE2 3.98Å; R587-Y659 HydrophobicContact CG-CE2 4.5Å; F592-Y659 PolarHBondContact O-N 2.77Å
660P80.8Confident80.6Confident57 Ų5763.2 Ų63.237%0.3733%0.325SS..THydrogen-bonded Turncis-73.1-53.53.7-18.731.8000114.2L658L658-P660 CarbonylContact O-C 3.56Å
661D83.1Confident81.4Confident92 Ų9260.1 Ų60.149%0.49231%0.305SS..THydrogen-bonded Turntrans-152.142.9-174.6-54.2-64.6000110.9R587 L658R587-D661 IonicContact CZ-OD2 3.93Å; R587-D661 VanDerWaalsContact NH1-CG 3.3Å; R587-D661 IonicContact NH1-OD1 3.08Å; R587-D661 PolarHBondContact NH1-OD1 2.65Å; R587-D661 VanDerWaalsContact NH1-OD1 3.08Å; R587-D661 IonicContact NH1-OD2 2.76Å; R587-D661 PolarHBondContact NH1-OD2 3.3Å; L658-D661 PolarHBondContact O-N 3.19Å
662I84.1Confident82Confident52 Ų5259 Ų5927%0.26729%0.293SS..EExtended strand (participates in β ladder)trans-97123.7-176.2-54.9172.3000109.5F657 L658 K664 E666 A667F657-I662 CarbonylContact C-O 3.44Å; F657-I662 VanDerWaalsContact CA-O 3.29Å; F657-I662 WeakPolarHBondContact CA-O 3.27Å; L658-I662 HydrophobicContact CB-CB 4.38Å; L658-I662 PolarHBondContact N-O 3.15Å; L658-I662 PolarHBondContact O-N 2.83Å; I662-K664 PolarHBondContact O-N 2.8Å; I662-E666 HydrophobicContact CG2-CB 4.44Å; I662-A667 HydrophobicContact CG2-CB 3.96Å
663P86.6Confident81.7Confident54 Ų5456.5 Ų56.535%0.35128%0.284SS..EExtended strand (participates in β ladder)trans-55.1134.6174.1-24.533.6000112.1D665 E666 A667P663-D665 VanDerWaalsContact C-N 3.29Å; P663-D665 PolarHBondContact O-N 3.23Å; P663-E666 HydrophobicContact CB-CB 4.11Å; P663-E666 WeakPolarHBondContact CD-OE2 3.07Å; P663-E666 WeakPolarHBondContact O-CB 3.08Å; P663-E666 PolarHBondContact O-N 3.07Å; P663-A667 PolarHBondContact O-N 3.08Å; P663-A667 VanDerWaalsContact O-N 3.09Å
664K85.6Confident80.2Confident26 Ų2660.1 Ų60.111%0.11331%0.313CS..Hα-helixtrans-51.6-46-177.3178.5-172.770-165.30113F592 I639 N653 L655 K656 I662 E666 A667 F668F592-K664 HydrophobicContact CE1-CB 4.42Å; F592-K664 HydrophobicContact CE1-CG 4.44Å; F592-K664 HydrophobicContact CZ-CG 4.48Å; I639-K664 HydrophobicContact CG2-CD 3.84Å; I639-K664 HydrophobicContact CG2-CG 3.89Å; N653-K664 PolarHBondContact ND2-NZ 2.87Å; L655-K664 HydrophobicContact CB-CD 4.26Å; L655-K664 WeakPolarHBondContact O-CD 3.22Å; L655-K664 PolarHBondContact O-NZ 2.77Å; K656-K664 WeakPolarHBondContact O-CB 3.26Å; K656-K664 PolarHBondContact O-N 3.37Å; I662-K664 PolarHBondContact O-N 2.8Å; K664-E666 VanDerWaalsContact C-N 3.29Å; K664-E666 PolarHBondContact O-N 2.76Å; K664-A667 PolarHBondContact O-N 2.88Å; K664-F668 HydrophobicContact CG-CD2 4.24Å; K664-F668 WeakPolarHBondContact O-CD2 3.24Å; K664-F668 PolarHBondContact O-N 3.34Å
665D82.5Confident78.2Confident102 Ų10266.8 Ų66.855%0.54534%0.343SS..Hα-helixtrans-73.2-23.5-177.2-58.9-47.7000112.2P663 G669 Y672P663-D665 VanDerWaalsContact C-N 3.29Å; P663-D665 PolarHBondContact O-N 3.23Å; D665-G669 WeakPolarHBondContact O-CA 3.45Å; D665-G669 PolarHBondContact O-N 3.14Å; D665-Y672 PolarHBondContact OD1-OH 3.24Å
666E82.9Confident75.9Confident142 Ų14272 Ų7266%0.66438%0.376SS*.Hα-helixtrans-71.6-41.6171.2-173179.9167.700111.1I662 P663 K664I662-E666 HydrophobicContact CG2-CB 4.44Å; P663-E666 HydrophobicContact CB-CB 4.11Å; P663-E666 WeakPolarHBondContact CD-OE2 3.07Å; P663-E666 WeakPolarHBondContact O-CB 3.08Å; P663-E666 PolarHBondContact O-N 3.07Å; K664-E666 VanDerWaalsContact C-N 3.29Å; K664-E666 PolarHBondContact O-N 2.76Å
667A78.7Confident73.5Confident5 Ų569.3 Ų69.34%0.04137%0.374CS..Hα-helixtrans-71.3-52.2178.800000112.5F570 L658 I662 P663 K664F570-A667 HydrophobicContact CD1-CB 4.3Å; F570-A667 HydrophobicContact CE1-CB 4.14Å; F570-A667 HydrophobicContact CE2-CB 4.36Å; F570-A667 WeakPolarHBondContact CE2-O 3.29Å; F570-A667 HydrophobicContact CG-CB 4.49Å; F570-A667 HydrophobicContact CZ-CB 4.16Å; F570-A667 WeakPolarHBondContact CZ-O 3.31Å; L658-A667 HydrophobicContact CD2-CB 3.91Å; I662-A667 HydrophobicContact CG2-CB 3.96Å; P663-A667 PolarHBondContact O-N 3.08Å; P663-A667 VanDerWaalsContact O-N 3.09Å; K664-A667 PolarHBondContact O-N 2.88Å
668F83.8Confident71Confident0 Ų074.1 Ų74.10%040%0.395CS..Hα-helixtrans-102.5-8.2-170.6-60.8-83.7000114.2V565 F570 F592 L594 A636 I639 L658 K664 R670 L671 Y672V565-F668 HydrophobicContact CG1-CE1 3.72Å; V565-F668 HydrophobicContact CG1-CZ 4.49Å; V565-F668 HydrophobicContact CG2-CE1 4.48Å; F570-F668 HydrophobicContact CB-CZ 4.29Å; F592-F668 HydrophobicContact CE2-CE2 4.2Å; F592-F668 AromaticContact CZ-CE2 3.8Å; F592-F668 HydrophobicContact CZ-CE2 3.8Å; L594-F668 HydrophobicContact CD1-CE1 4.24Å; L594-F668 HydrophobicContact CD1-CZ 3.78Å; A636-F668 HydrophobicContact CB-CD1 4.39Å; I639-F668 HydrophobicContact CD1-CD1 4.05Å; I639-F668 HydrophobicContact CD1-CD2 4.46Å; I639-F668 HydrophobicContact CD1-CE1 3.53Å; I639-F668 HydrophobicContact CD1-CE2 4.03Å; I639-F668 HydrophobicContact CD1-CG 4.5Å; I639-F668 HydrophobicContact CD1-CZ 3.54Å; I639-F668 HydrophobicContact CG2-CD2 4.02Å; I639-F668 HydrophobicContact CG2-CE2 4.21Å; I639-F668 HydrophobicContact CG2-CG 4.43Å; L658-F668 HydrophobicContact CB-CE2 4.47Å; L658-F668 HydrophobicContact CD1-CE2 4.34Å; L658-F668 HydrophobicContact CD1-CZ 4.37Å; L658-F668 HydrophobicContact CD2-CE2 4.03Å; L658-F668 HydrophobicContact CD2-CZ 4.15Å; K664-F668 HydrophobicContact CG-CD2 4.24Å; K664-F668 WeakPolarHBondContact O-CD2 3.24Å; K664-F668 PolarHBondContact O-N 3.34Å; F668-R670 VanDerWaalsContact C-N 3.26Å; F668-R670 PolarHBondContact O-N 3.06Å; F668-R670 VanDerWaalsContact O-N 3.13Å; F668-L671 CarbonylContact O-C 3.45Å; F668-L671 WeakPolarHBondContact O-CA 3.46Å; F668-L671 WeakPolarHBondContact O-CB 3.3Å; F668-L671 PolarHBondContact O-N 3.06Å; F668-Y672 HydrophobicContact CB-CD1 4.26Å; F668-Y672 HydrophobicContact CB-CE1 3.39Å; F668-Y672 VanDerWaalsContact O-CD1 3.31Å; F668-Y672 WeakPolarHBondContact O-CD1 3.47Å; F668-Y672 WeakPolarHBondContact O-CE1 3.33Å; F668-Y672 PolarHBondContact O-N 2.96Å
669G78.5Confident68.5Low32 Ų3280.8 Ų80.833%0.3344%0.435SS..G310 helixtrans-53.5-38.6-173.300000114.8D665 L671 Y672D665-G669 WeakPolarHBondContact O-CA 3.45Å; D665-G669 PolarHBondContact O-N 3.14Å; G669-L671 VanDerWaalsContact C-N 3.27Å; G669-L671 PolarHBondContact O-N 3.07Å; G669-Y672 PolarHBondContact O-N 3.36Å
670R74.7Confident66.5Low158 Ų15886.2 Ų86.260%0.59646%0.456SS*.G310 helixtrans-72.4-21178.4-60.7179.5-178.9-153-7.9113.6R102 F668R102-R670 VanDerWaalsContact CZ-NH1 3.31Å; R102-R670 VanDerWaalsContact NH1-NH1 3.2Å; F668-R670 VanDerWaalsContact C-N 3.26Å; F668-R670 PolarHBondContact O-N 3.06Å; F668-R670 VanDerWaalsContact O-N 3.13Å
671L75.8Confident64.9Low48 Ų4889.2 Ų89.225%0.25148%0.476SS..G310 helixtrans-98-4.6-177.1-57.9178.6000112.2P564 V565 A636 F668 G669P564-L671 HydrophobicContact CB-CD1 4.23Å; P564-L671 HydrophobicContact CB-CD2 3.53Å; P564-L671 HydrophobicContact CG-CD2 4.42Å; V565-L671 HydrophobicContact CG2-CD1 3.68Å; A636-L671 HydrophobicContact CB-CB 3.74Å; F668-L671 CarbonylContact O-C 3.45Å; F668-L671 WeakPolarHBondContact O-CA 3.46Å; F668-L671 WeakPolarHBondContact O-CB 3.3Å; F668-L671 PolarHBondContact O-N 3.06Å; G669-L671 VanDerWaalsContact C-N 3.27Å; G669-L671 PolarHBondContact O-N 3.07Å
672Y80.1Confident63.5Low30 Ų3094.2 Ų94.212%0.11849%0.489CS..SBendtrans-67.8131.4173.6-65.6-20.5000110.2A636 R640 D665 F668 G669 S674A636-Y672 HydrophobicContact CB-CD1 4.1Å; A636-Y672 HydrophobicContact CB-CE1 4.37Å; A636-Y672 WeakPolarHBondContact O-CE1 3.46Å; R640-Y672 HydrophobicContact CB-CD1 4.11Å; R640-Y672 HydrophobicContact CB-CE1 3.65Å; R640-Y672 HydrophobicContact CB-CE2 4.43Å; R640-Y672 HydrophobicContact CG-CD1 4.49Å; R640-Y672 HydrophobicContact CG-CD2 4.41Å; R640-Y672 HydrophobicContact CG-CE1 4.17Å; R640-Y672 HydrophobicContact CG-CE2 4.05Å; D665-Y672 PolarHBondContact OD1-OH 3.24Å; F668-Y672 HydrophobicContact CB-CD1 4.26Å; F668-Y672 HydrophobicContact CB-CE1 3.39Å; F668-Y672 VanDerWaalsContact O-CD1 3.31Å; F668-Y672 WeakPolarHBondContact O-CD1 3.47Å; F668-Y672 WeakPolarHBondContact O-CE1 3.33Å; F668-Y672 PolarHBondContact O-N 2.96Å; G669-Y672 PolarHBondContact O-N 3.36Å; Y672-S674 PolarHBondContact O-N 3.08Å
673N69.2Low61.5Low85 Ų8599.4 Ų99.446%0.45552%0.516SS..  trans-65.8113.1173.3-83.7-47.3000109.5P634 D637 Q675P634-N673 WeakPolarHBondContact CG-ND2 3.25Å; D637-N673 PolarHBondContact OD1-N 3.4Å; D637-N673 VanDerWaalsContact OD1-N 3.16Å; D637-N673 PolarHBondContact OD2-ND2 2.9Å; N673-Q675 PolarHBondContact O-N 3.11Å
674S47.5Very low59.4Low117 Ų117101.2 Ų101.282%0.81853%0.527SS*.  trans-79.462.5166.1-64.30000109.2Y672 P676Y672-S674 PolarHBondContact O-N 3.08Å; S674-P676 WeakPolarHBondContact O-CD 3.29Å
675Q39.7Very low57.5Low157 Ų157105.4 Ų105.473%0.73456%0.56SS**  trans-93102.1158.8-73.2-154.812.500107.8N673 S677N673-Q675 PolarHBondContact O-N 3.11Å; Q675-S677 PolarHBondContact O-N 3.45Å; Q675-S677 VanDerWaalsContact O-N 3.16Å
676P36.9Very low56.2Low111 Ų111105.5 Ų105.572%0.72157%0.565SS**  trans-58.5118.6142.927.2-27.5000104.3S674 K678S674-P676 WeakPolarHBondContact O-CD 3.29Å; P676-K678 PolarHBondContact O-N 3.49Å
677S33.2Very low55.1Low69 Ų69104.5 Ų104.548%0.48356%0.563SS.*  trans-40.6114.7168.139.90000107.6Q675 V679Q675-S677 PolarHBondContact O-N 3.45Å; Q675-S677 VanDerWaalsContact O-N 3.16Å; S677-V679 PolarHBondContact O-N 3.41Å
678K34.1Very low54.5Low163 Ų163108 Ų10871%0.70958%0.581SS**  trans-50.8115.7167.4-80.5-177.6177.3178.30104.9P676 Y680P676-K678 PolarHBondContact O-N 3.49Å; K678-Y680 HydrophobicContact CB-CD2 3.95Å; K678-Y680 HydrophobicContact CB-CE2 3.78Å; K678-Y680 HydrophobicContact CD-CE2 4.21Å; K678-Y680 PolarHBondContact O-N 2.88Å
679V37.8Very low53.5Low144 Ų144109 Ų10987%0.87359%0.587SS**  trans-61.689.2-179.7179.30000107S677S677-V679 PolarHBondContact O-N 3.41Å
680Y41.2Very low52.9Low166 Ų166111.8 Ų111.865%0.65159%0.593SS**  trans-101.6145.3159.1-71.1-72.6000106.9K678 Y682K678-Y680 HydrophobicContact CB-CD2 3.95Å; K678-Y680 HydrophobicContact CB-CE2 3.78Å; K678-Y680 HydrophobicContact CD-CE2 4.21Å; K678-Y680 PolarHBondContact O-N 2.88Å; Y680-Y682 PolarHBondContact O-N 3.12Å
681P47.6Very low52.6Low121 Ų121105.9 Ų105.979%0.78658%0.576SS**SBendtrans-76.926.2-167.627.6-26.4000114.2
682Y52.5Low51.9Low197 Ų197110.9 Ų110.977%0.77360%0.598SS**SBendtrans-117136.6175.3-62.2-79.6000108.6Y680 P684Y680-Y682 PolarHBondContact O-N 3.12Å; Y682-P684 WeakPolarHBondContact O-CD 3.48Å; Y682-P684 VanDerWaalsContact O-N 3.14Å
683I42.2Very low50.6Low161 Ų161112.3 Ų112.383%0.82661%0.608SS**  trans-46.1117.6-170.1-58.9167.4000110.4S685I683-S685 PolarHBondContact O-N 3.36Å
684P42.5Very low49.2Very low91 Ų91118.4 Ų118.459%0.59162%0.624SS**  trans-65.6111176.514.5-15.8000109.3Y682Y682-P684 WeakPolarHBondContact O-CD 3.48Å; Y682-P684 VanDerWaalsContact O-N 3.14Å
685S45.8Very low48.7Very low115 Ų115116.6 Ų116.680%0.80461%0.611SS**  trans-95.8115.7175.958.40000110.1I683I683-S685 PolarHBondContact O-N 3.36Å
686T55Low48.4Very low104 Ų104118.9 Ų118.964%0.63862%0.622SS**  trans-105.3126.8174.9-290000109.2I688T686-I688 PolarHBondContact O-N 3.24Å
687L60.5Low48.1Very low121 Ų121117.8 Ų117.863%0.63462%0.623SS**  trans-77.1122.5175-69.9171.4000109.4L633L633-L687 HydrophobicContact CD1-CB 3.82Å; L633-L687 HydrophobicContact CD2-CB 4.25Å; L633-L687 HydrophobicContact CG-CB 4.32Å
688I65.4Low47.9Very low79 Ų79118.9 Ų118.941%0.40563%0.63SS.*  trans-114121.9-179.5-58.2177.7000108.6D641 K643 T686 I690D641-I688 VanDerWaalsContact O-CG2 3.23Å; D641-I688 WeakPolarHBondContact O-CG2 3.32Å; K643-I688 HydrophobicContact CD-CG2 4.36Å; K643-I688 HydrophobicContact CG-CG2 4.47Å; T686-I688 PolarHBondContact O-N 3.24Å; I688-I690 HydrophobicContact CG2-CD1 4.46Å; I688-I690 HydrophobicContact CG2-CG1 4.04Å; I688-I690 PolarHBondContact O-N 3.39Å
689P64.1Low47.9Very low20 Ų20117.2 Ų117.213%0.1364%0.639CS.*  trans-74.2119.3175.326.1-26.8000110.5I638 Y642 K643I638-P689 HydrophobicContact CB-CG 4.43Å; I638-P689 HydrophobicContact CG2-CG 4.02Å; Y642-P689 HydrophobicContact CD2-CB 4.22Å; Y642-P689 HydrophobicContact CD2-CG 4.31Å; K643-P689 PolarHBondContact N-O 3.18Å; K643-P689 VanDerWaalsContact N-O 3.12Å
690I64.6Low47.5Very low90 Ų90115.5 Ų115.546%0.46263%0.629SS.*EExtended strand (participates in β ladder)trans-123.4132.5-179.6-55.9177.4000110.3K643 I645 I688K643-I690 HydrophobicContact CB-CG1 4.41Å; K643-I690 VanDerWaalsContact O-CA 3.29Å; K643-I690 WeakPolarHBondContact O-CA 3.17Å; I645-I690 HydrophobicContact CD1-CG2 3.77Å; I645-I690 HydrophobicContact CG1-CG2 3.86Å; I688-I690 HydrophobicContact CG2-CD1 4.46Å; I688-I690 HydrophobicContact CG2-CG1 4.04Å; I688-I690 PolarHBondContact O-N 3.39Å
691S69.9Low47Very low35 Ų35113.6 Ų113.625%0.24564%0.637CS.*EExtended strand (participates in β ladder)trans-112.7136.4170.7-620000111.2Y642 K643 V644 I645Y642-S691 VanDerWaalsContact OH-CB 3.22Å; Y642-S691 WeakPolarHBondContact OH-CB 3.31Å; Y642-S691 PolarHBondContact OH-OG 3.06Å; K643-S691 PolarHBondContact O-N 3.34Å; K643-S691 VanDerWaalsContact O-N 3.14Å; V644-S691 WeakPolarHBondContact CA-O 3.46Å; I645-S691 PolarHBondContact N-O 2.94Å; I645-S691 VanDerWaalsContact N-O 3.1Å
692E60.6Low46.1Very low152 Ų152119 Ų11971%0.7164%0.642SS**EExtended strand (participates in β ladder)trans-93.1118.1172.3-71.8-176178.400110.5
693L53.5Low45Very low61 Ų61114.9 Ų114.932%0.31964%0.642SS.*EExtended strand (participates in β ladder)trans-89.1106.3176.8-116.3124.9000109.5W608 V644 I645W608-L693 HydrophobicContact CZ2-CD1 4.14Å; V644-L693 HydrophobicContact CG1-CB 4.19Å; V644-L693 HydrophobicContact CG1-CD1 3.33Å; V644-L693 HydrophobicContact CG1-CG 4.36Å; I645-L693 PolarHBondContact O-N 3.31Å
694R39.3Very low44.3Very low213 Ų213112.5 Ų112.580%0.80464%0.638SS**  trans-82.9125.4171.9-83.8-174.8178.1165.43.5110.4
695S35.5Very low43.9Very low78 Ų78114.2 Ų114.255%0.54565%0.649SS.*  trans-65.3131.3171-1640000110.3A697S695-A697 PolarHBondContact O-N 3.08Å
696E34.3Very low43.3Very low205 Ų205113.5 Ų113.596%0.95864%0.644SS**SBendtrans-69.638.9179-71-170.1149.900114
697A31.4Very low42.6Very low89 Ų89114.5 Ų114.574%0.73665%0.652SS**  trans-116.149.3174.400000110.9S695S695-A697 PolarHBondContact O-N 3.08Å
698S28.6Very low41.5Very low92 Ų92117.4 Ų117.464%0.64366%0.663SS**  trans-154.279159.670.90000110.5T700S698-T700 PolarHBondContact O-N 2.94Å
699S34.3Very low40.4Very low127 Ų127119 Ų11989%0.88868%0.679SS**  trans-71.575.4163.656.80000109.8
700T29.5Very low39.3Very low108 Ų108124 Ų12466%0.66371%0.711SS**  trans-145.3124.5151.7450000107.8S698 R702S698-T700 PolarHBondContact O-N 2.94Å; T700-R702 PolarHBondContact O-N 3.24Å
701P30.6Very low38.2Very low127 Ų127125.8 Ų125.883%0.82572%0.719SS**PPolyproline II helixtrans-67.5121171.626.1-28.2000107.8S703P701-S703 PolarHBondContact O-N 3.17Å; P701-S703 VanDerWaalsContact O-N 3.17Å
702R29.1Very low37.5Very low235 Ų235128.1 Ų128.189%0.88773%0.732SS**PPolyproline II helixtrans-62.8117.6159.5-79.2-174.9175.8-174.3-1.1106.6T700 C704T700-R702 PolarHBondContact O-N 3.24Å; R702-C704 PolarHBondContact O-N 3.24Å
703S28.5Very low37Very low109 Ų109126.1 Ų126.176%0.76273%0.732SS**PPolyproline II helixtrans-46.2123.4163.549.80000109.3P701P701-S703 PolarHBondContact O-N 3.17Å; P701-S703 VanDerWaalsContact O-N 3.17Å
704C27.5Very low36.7Very low112 Ų112125.4 Ų125.476%0.75774%0.74SS**PPolyproline II helixtrans-46.9130.2163.6-60.90000108.6R702 S706R702-C704 PolarHBondContact O-N 3.24Å; C704-S706 PolarHBondContact O-N 3.33Å
705P33.3Very low37.1Very low126 Ų126120.2 Ų120.282%0.81872%0.724SS**PPolyproline II helixtrans-62.9121.6150.811.8-0.6000105.7
706S33.4Very low37.6Very low100 Ų100123.3 Ų123.370%0.69973%0.728SS**  trans-43.9148.8170.6-37.50000110.7C704 E708C704-S706 PolarHBondContact O-N 3.33Å; S706-E708 PolarHBondContact O-N 3.33Å
707P39.9Very low38.1Very low125 Ų125118.5 Ų118.581%0.81271%0.709SS**PPolyproline II helixtrans-58.3130.7165.927.3-32.3000108.1
708E38.5Very low38.7Very low182 Ų182120.8 Ų120.885%0.8571%0.706SS**PPolyproline II helixtrans-50142.5170.3-70.3175.615500109.6S706S706-E708 PolarHBondContact O-N 3.33Å
709P41.3Very low39.4Very low114 Ų114121.5 Ų121.574%0.7470%0.702SS**PPolyproline II helixtrans-61.7147.217627.2-32.3000109.6M711P709-M711 PolarHBondContact O-N 2.82Å
710P42.3Very low39.9Very low124 Ų124118.4 Ų118.481%0.80568%0.681SS**PPolyproline II helixtrans-60.8135175.526-31.9000109.5T712P710-T712 PolarHBondContact O-N 2.98Å
711M40.4Very low40.5Very low127 Ų127121 Ų12163%0.62669%0.685SS**  trans-43.6138.4173.3-92-172-86.800111.1P709 E715P709-M711 PolarHBondContact O-N 2.82Å; M711-E715 HydrophobicContact SD-CB 4.31Å
712T56.1Low40.9Very low84 Ų84122.6 Ų122.652%0.51568%0.681SS.*  trans-70.7149.6176.152.20000110.3P710 G714 E715P710-T712 PolarHBondContact O-N 2.98Å; T712-G714 PolarHBondContact O-N 3.04Å; T712-E715 PolarHBondContact N-OE2 2.93Å; T712-E715 PolarHBondContact O-N 2.8Å; T712-E715 PolarHBondContact OG1-OE2 2.9Å
713P48.9Very low41.5Very low110 Ų110117.8 Ų117.871%0.71467%0.673SS**Hα-helixtrans-54.3-24.7-175.9-26.934.1000114.9
714G48.7Very low41.6Very low47 Ų47117.9 Ų117.949%0.48567%0.672SS.*Hα-helixtrans-74.8-20.5177.900000115.2T712T712-G714 PolarHBondContact O-N 3.04Å
715E48Very low42Very low103 Ų103121.3 Ų121.348%0.48167%0.674SS.*Hα-helixtrans-85.8-24.3178.8-68.4170.7139.800111.9M711 T712M711-E715 HydrophobicContact SD-CB 4.31Å; T712-E715 PolarHBondContact N-OE2 2.93Å; T712-E715 PolarHBondContact O-N 2.8Å; T712-E715 PolarHBondContact OG1-OE2 2.9Å
716F45.7Very low41.9Very low143 Ų143122.8 Ų122.863%0.62768%0.675SS**Hα-helixtrans-74.2-36173.9-164.6-95.9000112L719 S720F716-L719 PolarHBondContact O-N 2.94Å; F716-S720 PolarHBondContact O-N 2.83Å; F716-S720 VanDerWaalsContact O-N 3.16Å
717D44.3Very low41.9Very low105 Ų105125.6 Ų125.656%0.56168%0.681SS**Hα-helixtrans-71.8-26.7177.7-84.2-17.4000113.3S720 E721D717-S720 WeakPolarHBondContact CA-OG 3.47Å; D717-S720 PolarHBondContact O-OG 2.74Å; D717-S720 VanDerWaalsContact O-OG 3.04Å; D717-E721 PolarHBondContact O-N 3.13Å
718M44.3Very low41.6Very low136 Ų136127 Ų12767%0.6768%0.681SS**Hα-helixtrans-74.7-26.8173.3-76.2-168.161.300113.4
719L42.3Very low41.4Very low107 Ų107124.5 Ų124.556%0.5668%0.679SS**Hα-helixtrans-84.4-26177.4-82160.2000112.6F716F716-L719 PolarHBondContact O-N 2.94Å
720S44.8Very low40.8Very low63 Ų63127.9 Ų127.944%0.44169%0.687SS.*Hα-helixtrans-76.4-28.4177.265.70000113F716 D717 H722F716-S720 PolarHBondContact O-N 2.83Å; F716-S720 VanDerWaalsContact O-N 3.16Å; D717-S720 WeakPolarHBondContact CA-OG 3.47Å; D717-S720 PolarHBondContact O-OG 2.74Å; D717-S720 VanDerWaalsContact O-OG 3.04Å; S720-H722 VanDerWaalsContact C-N 3.31Å; S720-H722 PolarHBondContact O-N 3.03Å
721E41.8Very low40.2Very low162 Ų162127.2 Ų127.276%0.75769%0.686SS**THydrogen-bonded Turntrans-73.4-16.1174.9-80.9-169.8157.900114.2D717D717-E721 PolarHBondContact O-N 3.13Å
722H40.2Very low39.8Very low160 Ų160126.8 Ų126.874%0.74170%0.695SS**THydrogen-bonded Turntrans-99.91.5-177.1-76.430.6000114.5S720S720-H722 VanDerWaalsContact C-N 3.31Å; S720-H722 PolarHBondContact O-N 3.03Å
723L40.4Very low38.7Very low134 Ų134127.4 Ų127.470%0.70270%0.701SS**  trans-128.757.5178-77.4163.8000111.2
724C31.3Very low37.9Very low111 Ų111132.7 Ų132.775%0.7571%0.708SS**  trans-97.197.4165.8-150.40000108.7
725F35.1Very low37.1Very low184 Ų184136.3 Ų136.381%0.80773%0.726SS**  trans-103.3115.2162.6-86.3-80.4000107.8I727F725-I727 PolarHBondContact O-N 3.31Å
726D32Very low36.5Very low157 Ų157144.2 Ų144.284%0.8476%0.763SS**  trans-54.4114.3173.1-73-47.3000110.8
727I34Very low36.1Very low159 Ų159144.3 Ų144.382%0.81577%0.77SS**  trans-113.280164.7-60.3177.6000106.8F725F725-I727 PolarHBondContact O-N 3.31Å
728D33.1Very low35.6Very low154 Ų154146.4 Ų146.482%0.82478%0.781SS**  trans-141.459.9164.9-113.5-11.5000109.1
729T33.7Very low35.1Very low131 Ų131146.9 Ų146.980%0.80479%0.787SS**  trans-174.5114.8156.65.10000109.1
730M28.7Very low34.7Very low185 Ų185149.3 Ų149.391%0.91180%0.8SS**  trans172.7106.4136-90.6-69165.600109.3
731S30.5Very low34.1Very low110 Ų110154.7 Ų154.777%0.76982%0.823SS**  trans-63.9143.7171.843.80000113.1
732S30.9Very low33.6Very low117 Ų117154.2 Ų154.282%0.81883%0.827SS**  trans-61.1135.3168.4174.20000112.6
733P34.9Very low33.1Very low98 Ų98153.8 Ų153.864%0.63683%0.833SS**  trans-114.7116.2154.133.2-19.2000109
734Y30.8Very low32.5Very low220 Ų220155.3 Ų155.386%0.86384%0.843SS**  trans177.193.8138.1-87.5-62.6000108
735S32Very low32.6Very low124 Ų124159 Ų15987%0.86785%0.851SS**  trans-147.890.9156.8-720000106.3
736E35.9Very low32.4Very low269 Ų269156.7 Ų156.7100%1.25786%0.855SS**  trans-163.50135.2-105.4-178.5-179.400108.4

Retrieved 736 of 736 residues in 286.9 ms (Link to these results)

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