A0A087YKS0_POEFO Loading...

Probable arginine--tRNA ligase, mitochondrial

Catalyzes the attachment of arginine to tRNA(Arg) in a two-step reaction: arginine is first activated by ATP to form Arg-AMP and then transferred to the acceptor end of tRNA(Arg).

AlphaFold DB , UniProt , Accession A0A087YKS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 581 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
1M74.3Confident89.9Confident60 Ų6031.5 Ų31.530%0.29616%0.155SC..  0-64.90-79.4168.2-87.200112.7C3 F4 F5 K102 L103 P106 F115M1-C3 PolarHBondContact O-N 3.23Å; M1-F4 WeakPolarHBondContact O-CB 3.48Å; M1-F4 PolarHBondContact O-N 3.44Å; M1-F4 VanDerWaalsContact O-N 3.08Å; M1-F5 WeakPolarHBondContact O-CD2 3.44Å; M1-K102 WeakPolarHBondContact CG-O 3.3Å; M1-L103 HydrophobicContact CB-CD1 4.16Å; M1-L103 HydrophobicContact SD-CD1 4.5Å; M1-P106 HydrophobicContact CE-CB 4.17Å; M1-P106 HydrophobicContact CE-CG 3.08Å; M1-P106 HydrophobicContact CG-CG 4.32Å; M1-P106 WeakPolarHBondContact SD-CD 3.38Å; M1-P106 HydrophobicContact SD-CG 3.06Å; M1-P106 WeakPolarHBondContact SD-CG 3.26Å; M1-F115 HydrophobicContact CE-CD2 3.43Å; M1-F115 VanDerWaalsContact CE-CD2 3.43Å; M1-F115 HydrophobicContact CE-CE2 3.67Å; M1-F115 HydrophobicContact CE-CG 4.47Å; M1-F115 HydrophobicContact SD-CD2 3.94Å; M1-F115 HydrophobicContact SD-CE2 3.62Å
2A81.3Confident90.2Very high8 Ų831.4 Ų31.47%0.06615%0.153CC..Hα-helixtrans-58.8-37.3169.300000111.1F4 F5 R6 F44 L506A2-F4 VanDerWaalsContact C-N 3.29Å; A2-F4 PolarHBondContact O-N 3.19Å; A2-F5 PolarHBondContact O-N 3.16Å; A2-F5 VanDerWaalsContact O-N 3.12Å; A2-R6 VanDerWaalsContact CB-NH1 3.25Å; A2-R6 PolarHBondContact O-N 3.45Å; A2-F44 HydrophobicContact CB-CZ 4.5Å; A2-L506 HydrophobicContact CB-CD2 3.93Å
3C86.7Confident90.4Very high16 Ų1629 Ų2911%0.10814%0.141CC..Hα-helixtrans-53.8-37.8171.2-57.20000114.4M1 F5 R6 R7 S119 E120M1-C3 PolarHBondContact O-N 3.23Å; C3-F5 VanDerWaalsContact C-N 3.34Å; C3-F5 PolarHBondContact O-N 2.95Å; C3-R6 PolarHBondContact O-N 3.16Å; C3-R7 VanDerWaalsContact O-CB 3.28Å; C3-R7 WeakPolarHBondContact O-CB 3.46Å; C3-R7 WeakPolarHBondContact O-CG 3.28Å; C3-R7 PolarHBondContact O-N 2.94Å; C3-S119 VanDerWaalsContact SG-CA 3.55Å; C3-S119 PolarHBondContact SG-OG 3.3Å; C3-E120 HydrophobicContact CB-CG 4.08Å; C3-E120 PolarHBondContact SG-N 2.85Å; C3-E120 VanDerWaalsContact SG-N 3.42Å
4F91.6Very high90.6Very high70 Ų7027.6 Ų27.631%0.30714%0.136SC..Hα-helixtrans-60.4-47.7177.9169.9-94.2000110.4M1 A2 K8 L98 K102M1-F4 WeakPolarHBondContact O-CB 3.48Å; M1-F4 PolarHBondContact O-N 3.44Å; M1-F4 VanDerWaalsContact O-N 3.08Å; A2-F4 VanDerWaalsContact C-N 3.29Å; A2-F4 PolarHBondContact O-N 3.19Å; F4-K8 HydrophobicContact CE1-CG 4.26Å; F4-K8 HydrophobicContact CE2-CG 4.3Å; F4-K8 HydrophobicContact CZ-CG 4.1Å; F4-K8 VanDerWaalsContact O-CG 3.27Å; F4-K8 WeakPolarHBondContact O-CG 3.42Å; F4-K8 PolarHBondContact O-N 3.43Å; F4-L98 HydrophobicContact CE1-CD2 4.29Å; F4-K102 HydrophobicContact CD1-CG 4.22Å; F4-K102 HydrophobicContact CE1-CG 4.28Å
5F93.6Very high90.7Very high0 Ų037.8 Ų37.80%018%0.18CC..Hα-helixtrans-69.1-42.5178.3-63.3-67.5000112.1M1 A2 C3 R7 K8 I9 F44 V79 L94 L98 L99 K102 L506M1-F5 WeakPolarHBondContact O-CD2 3.44Å; A2-F5 PolarHBondContact O-N 3.16Å; A2-F5 VanDerWaalsContact O-N 3.12Å; C3-F5 VanDerWaalsContact C-N 3.34Å; C3-F5 PolarHBondContact O-N 2.95Å; F5-R7 PolarHBondContact O-N 2.97Å; F5-K8 PolarHBondContact O-N 2.87Å; F5-I9 WeakPolarHBondContact O-CG1 3.25Å; F5-I9 PolarHBondContact O-N 3.32Å; F5-F44 HydrophobicContact CB-CD2 4.34Å; F5-F44 HydrophobicContact CB-CE2 3.6Å; F5-F44 HydrophobicContact CB-CZ 4.15Å; F5-F44 HydrophobicContact CG-CE2 4.43Å; F5-V79 HydrophobicContact CD1-CG1 3.74Å; F5-V79 HydrophobicContact CE1-CG1 4.11Å; F5-L94 HydrophobicContact CB-CD1 3.85Å; F5-L94 HydrophobicContact CB-CD2 4.37Å; F5-L94 HydrophobicContact CD1-CD1 3.55Å; F5-L94 HydrophobicContact CD1-CD2 3.86Å; F5-L94 HydrophobicContact CD1-CG 4.23Å; F5-L94 HydrophobicContact CD2-CD1 4.05Å; F5-L94 HydrophobicContact CE1-CD1 4.1Å; F5-L94 HydrophobicContact CG-CD1 3.53Å; F5-L94 HydrophobicContact CG-CD2 4.39Å; F5-L98 HydrophobicContact CE1-CD2 4.17Å; F5-L98 HydrophobicContact CE1-CG 4.1Å; F5-L98 HydrophobicContact CZ-CG 4.31Å; F5-L99 HydrophobicContact CD2-CD1 4.32Å; F5-L99 HydrophobicContact CE2-CD1 3.82Å; F5-L99 HydrophobicContact CZ-CB 4.34Å; F5-L99 HydrophobicContact CZ-CD1 4.26Å; F5-K102 HydrophobicContact CE2-CB 3.89Å; F5-K102 HydrophobicContact CZ-CB 3.82Å; F5-K102 HydrophobicContact CZ-CG 4.08Å; F5-L506 HydrophobicContact CD2-CD2 4.34Å
6R92.8Very high90.8Very high1 Ų138 Ų380%0.00418%0.184CC..Hα-helixtrans-57.8-48.1175-70.2-169.1-165.393.27.2111.3A2 C3 K8 I9 A10 L28 F44 F121 L506 D509 E510A2-R6 VanDerWaalsContact CB-NH1 3.25Å; A2-R6 PolarHBondContact O-N 3.45Å; C3-R6 PolarHBondContact O-N 3.16Å; R6-K8 PolarHBondContact O-N 2.95Å; R6-I9 PolarHBondContact O-N 3.01Å; R6-A10 VanDerWaalsContact O-CB 3.26Å; R6-A10 WeakPolarHBondContact O-CB 3.3Å; R6-A10 PolarHBondContact O-N 3.47Å; R6-L28 HydrophobicContact CG-CB 4.38Å; R6-L28 WeakPolarHBondContact O-CD1 3.07Å; R6-F44 HydrophobicContact CG-CD1 4.08Å; R6-F44 HydrophobicContact CG-CE1 3.36Å; R6-F44 HydrophobicContact CG-CZ 3.83Å; R6-F121 VanDerWaalsContact CZ-CE2 3.45Å; R6-L506 PolarHBondContact NH2-O 3.24Å; R6-D509 IonicContact CZ-OD1 3.63Å; R6-D509 IonicContact CZ-OD2 3.93Å; R6-D509 IonicContact NH1-OD1 3.49Å; R6-D509 IonicContact NH1-OD2 2.67Å; R6-D509 PolarHBondContact NH1-OD2 3.3Å; R6-D509 IonicContact NH2-OD1 3.99Å; R6-D509 PolarHBondContact NH2-OD1 3.15Å; R6-D509 IonicContact NH2-OD2 3.55Å; R6-D509 PolarHBondContact NH2-OD2 3.02Å; R6-E510 IonicContact CZ-OE1 2.7Å; R6-E510 IonicContact NE-OE1 3.63Å; R6-E510 PolarHBondContact NE-OE1 2.75Å; R6-E510 IonicContact NH2-OE1 3.05Å; R6-E510 PolarHBondContact NH2-OE1 2.97Å
7R92.4Very high90.8Very high63 Ų6338 Ų3824%0.23819%0.185CC..Hα-helixtrans-60.7-42.5175.7-77.1-78-175.9-171.3-8.3112.7C3 F5 I9 A10 A11 E21 D22 E120C3-R7 VanDerWaalsContact O-CB 3.28Å; C3-R7 WeakPolarHBondContact O-CB 3.46Å; C3-R7 WeakPolarHBondContact O-CG 3.28Å; C3-R7 PolarHBondContact O-N 2.94Å; F5-R7 PolarHBondContact O-N 2.97Å; R7-I9 VanDerWaalsContact C-N 3.33Å; R7-I9 PolarHBondContact O-N 3.12Å; R7-A10 PolarHBondContact O-N 3.44Å; R7-A11 VanDerWaalsContact O-CB 3.29Å; R7-A11 WeakPolarHBondContact O-CB 3.41Å; R7-A11 PolarHBondContact O-N 3.47Å; R7-E21 WeakPolarHBondContact CD-OE2 3.31Å; R7-E21 IonicContact NH1-OE2 3.71Å; R7-D22 IonicContact CZ-OD1 3.47Å; R7-D22 IonicContact NH1-OD1 3.55Å; R7-D22 PolarHBondContact NH1-OD1 3.4Å; R7-D22 IonicContact NH2-OD1 2.73Å; R7-D22 PolarHBondContact NH2-OD1 3.22Å; R7-E120 WeakPolarHBondContact CD-OE1 2.81Å; R7-E120 WeakPolarHBondContact CG-OE1 3.5Å; R7-E120 IonicContact CZ-OE1 2.69Å; R7-E120 IonicContact NE-OE1 3.57Å; R7-E120 PolarHBondContact NE-OE1 3.37Å; R7-E120 IonicContact NE-OE2 3.91Å; R7-E120 IonicContact NH2-OE1 3.7Å
8K94.6Very high90.7Very high96 Ų9645.6 Ų45.642%0.41722%0.22SC..Hα-helixtrans-64.4-37.5176.7-69.4-63.7179.9-170.10112.5F4 F5 R6 K12 V79F4-K8 HydrophobicContact CE1-CG 4.26Å; F4-K8 HydrophobicContact CE2-CG 4.3Å; F4-K8 HydrophobicContact CZ-CG 4.1Å; F4-K8 VanDerWaalsContact O-CG 3.27Å; F4-K8 WeakPolarHBondContact O-CG 3.42Å; F4-K8 PolarHBondContact O-N 3.43Å; F5-K8 PolarHBondContact O-N 2.87Å; R6-K8 PolarHBondContact O-N 2.95Å; K8-K12 WeakPolarHBondContact O-CG 3.47Å; K8-K12 PolarHBondContact O-N 3.43Å; K8-V79 HydrophobicContact CB-CG1 3.98Å; K8-V79 HydrophobicContact CB-CG2 4.5Å; K8-V79 HydrophobicContact CG-CG1 4.32Å; K8-V79 HydrophobicContact CG-CG2 4.25Å
9I94.5Very high90.8Very high0 Ų048.1 Ų48.10%023%0.231CC..Hα-helixtrans-71.2-43.1173.9-61.5164.4000110.6F5 R6 R7 A11 K12 L13 L28 F44 V80 F92 L94F5-I9 WeakPolarHBondContact O-CG1 3.25Å; F5-I9 PolarHBondContact O-N 3.32Å; R6-I9 PolarHBondContact O-N 3.01Å; R7-I9 VanDerWaalsContact C-N 3.33Å; R7-I9 PolarHBondContact O-N 3.12Å; I9-A11 PolarHBondContact O-N 3.15Å; I9-K12 WeakPolarHBondContact O-CB 3.4Å; I9-K12 PolarHBondContact O-N 3.24Å; I9-L13 HydrophobicContact CG2-CD1 4.09Å; I9-L13 PolarHBondContact O-N 3.33Å; I9-L13 VanDerWaalsContact O-N 3.08Å; I9-L28 HydrophobicContact CB-CD1 3.96Å; I9-L28 HydrophobicContact CB-CD2 4.28Å; I9-L28 HydrophobicContact CG2-CD1 3.86Å; I9-L28 HydrophobicContact CG2-CD2 3.52Å; I9-L28 HydrophobicContact CG2-CG 4.37Å; I9-F44 HydrophobicContact CD1-CB 3.68Å; I9-F44 HydrophobicContact CD1-CD2 3.85Å; I9-F44 HydrophobicContact CD1-CG 3.79Å; I9-V80 HydrophobicContact CG1-CG2 3.92Å; I9-F92 HydrophobicContact CD1-CB 3.9Å; I9-F92 HydrophobicContact CD1-CD2 4.28Å; I9-F92 HydrophobicContact CD1-CG 4.03Å; I9-F92 HydrophobicContact CG1-CD1 4.49Å; I9-F92 HydrophobicContact CG1-CG 4.37Å; I9-F92 HydrophobicContact CG2-CD1 3.92Å; I9-F92 HydrophobicContact CG2-CD2 3.97Å; I9-F92 HydrophobicContact CG2-CE1 3.72Å; I9-F92 HydrophobicContact CG2-CE2 3.78Å; I9-F92 HydrophobicContact CG2-CG 4.04Å; I9-F92 HydrophobicContact CG2-CZ 3.64Å; I9-L94 HydrophobicContact CD1-CD2 4.28Å
10A93.3Very high90.7Very high0 Ų048.8 Ų48.80%024%0.242CC..Hα-helixtrans-60.3-42.4177.100000112R6 R7 K12 L13 A14 E21 F24 V25 L28R6-A10 VanDerWaalsContact O-CB 3.26Å; R6-A10 WeakPolarHBondContact O-CB 3.3Å; R6-A10 PolarHBondContact O-N 3.47Å; R7-A10 PolarHBondContact O-N 3.44Å; A10-K12 VanDerWaalsContact C-N 3.3Å; A10-K12 PolarHBondContact O-N 3Å; A10-L13 PolarHBondContact O-N 3.34Å; A10-L13 VanDerWaalsContact O-N 3.16Å; A10-A14 WeakPolarHBondContact O-CB 3.47Å; A10-A14 PolarHBondContact O-N 3.01Å; A10-E21 HydrophobicContact CB-CB 4.28Å; A10-F24 HydrophobicContact CB-CB 3.96Å; A10-V25 HydrophobicContact CB-CG2 3.91Å; A10-L28 HydrophobicContact CB-CD1 4.04Å
11A93.9Very high90.7Very high32 Ų3249.8 Ų49.826%0.26425%0.246SC..Hα-helixtrans-59.7-38.517500000112.6R7 I9 K15 E21R7-A11 VanDerWaalsContact O-CB 3.29Å; R7-A11 WeakPolarHBondContact O-CB 3.41Å; R7-A11 PolarHBondContact O-N 3.47Å; I9-A11 PolarHBondContact O-N 3.15Å; A11-K15 WeakPolarHBondContact O-CB 3.44Å; A11-K15 PolarHBondContact O-N 2.99Å; A11-E21 HydrophobicContact CB-CG 4.38Å; A11-E21 WeakPolarHBondContact CB-OE1 3.09Å
12K93.5Very high91.2Very high31 Ų3151.3 Ų51.314%0.13526%0.255CS..Hα-helixtrans-63.9-47.4173.9-69.3167.9174.1-73.70111K8 I9 A10 K15 T16 L74 K75 D77 V80K8-K12 WeakPolarHBondContact O-CG 3.47Å; K8-K12 PolarHBondContact O-N 3.43Å; I9-K12 WeakPolarHBondContact O-CB 3.4Å; I9-K12 PolarHBondContact O-N 3.24Å; A10-K12 VanDerWaalsContact C-N 3.3Å; A10-K12 PolarHBondContact O-N 3Å; K12-K15 PolarHBondContact O-N 3.47Å; K12-T16 PolarHBondContact O-N 3.36Å; K12-T16 VanDerWaalsContact O-N 3.14Å; K12-T16 PolarHBondContact O-OG1 3.22Å; K12-L74 HydrophobicContact CB-CD2 4.3Å; K12-K75 PolarHBondContact NZ-O 3.38Å; K12-D77 VanDerWaalsContact CE-OD1 3.29Å; K12-D77 WeakPolarHBondContact CE-OD1 3.36Å; K12-D77 WeakPolarHBondContact CE-OD2 3.31Å; K12-D77 IonicContact NZ-OD1 3.75Å; K12-D77 PolarHBondContact NZ-OD1 3.36Å; K12-D77 IonicContact NZ-OD2 3.49Å; K12-D77 PolarHBondContact NZ-OD2 2.86Å; K12-V80 HydrophobicContact CD-CG2 4.22Å
13L92.6Very high91.5Very high0 Ų053.2 Ų53.20%027%0.266CS..Hα-helixtrans-63.6-45.4178.9-71.2163.1000112I9 A10 K15 T16 L17 F24 L28 M46 L70 L74I9-L13 HydrophobicContact CG2-CD1 4.09Å; I9-L13 PolarHBondContact O-N 3.33Å; I9-L13 VanDerWaalsContact O-N 3.08Å; A10-L13 PolarHBondContact O-N 3.34Å; A10-L13 VanDerWaalsContact O-N 3.16Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3.42Å; L13-T16 PolarHBondContact O-N 3.43Å; L13-T16 VanDerWaalsContact O-N 3.16Å; L13-L17 WeakPolarHBondContact O-CB 3.2Å; L13-L17 PolarHBondContact O-N 2.84Å; L13-F24 HydrophobicContact CB-CB 4.41Å; L13-F24 HydrophobicContact CB-CD1 3.79Å; L13-F24 HydrophobicContact CB-CD2 3.99Å; L13-F24 HydrophobicContact CB-CE1 4.03Å; L13-F24 HydrophobicContact CB-CE2 4.21Å; L13-F24 HydrophobicContact CB-CG 3.77Å; L13-F24 HydrophobicContact CB-CZ 4.24Å; L13-F24 HydrophobicContact CD1-CB 4.07Å; L13-F24 HydrophobicContact CD1-CD1 4.04Å; L13-F24 HydrophobicContact CD1-CG 4.15Å; L13-F24 HydrophobicContact CG-CD1 4.43Å; L13-L28 HydrophobicContact CD1-CD1 4.3Å; L13-L28 HydrophobicContact CD1-CD2 4.32Å; L13-M46 HydrophobicContact CD1-CE 4.01Å; L13-M46 HydrophobicContact CD1-SD 3.5Å; L13-M46 VanDerWaalsContact CD1-SD 3.5Å; L13-M46 HydrophobicContact CD2-CE 3.69Å; L13-M46 HydrophobicContact CD2-SD 4.27Å; L13-L70 HydrophobicContact CD2-CD2 4.42Å; L13-L74 HydrophobicContact CD2-CD1 3.8Å; L13-L74 HydrophobicContact CD2-CD2 4.08Å
14A92.9Very high91.6Very high9 Ų952.4 Ų52.47%0.07426%0.26CS..Hα-helixtrans-56.5-45.3176.500000112.1A10 Q18 Q19 E21 F24A10-A14 WeakPolarHBondContact O-CB 3.47Å; A10-A14 PolarHBondContact O-N 3.01Å; A14-Q18 VanDerWaalsContact O-CA 3.26Å; A14-Q18 WeakPolarHBondContact O-CA 3.42Å; A14-Q18 PolarHBondContact O-N 3.4Å; A14-Q19 WeakPolarHBondContact CA-O 3.2Å; A14-Q19 WeakPolarHBondContact CB-O 3.41Å; A14-Q19 PolarHBondContact O-N 2.85Å; A14-E21 HydrophobicContact CB-CG 3.92Å; A14-F24 HydrophobicContact CB-CD2 4.2Å; A14-F24 HydrophobicContact CB-CE2 4.01Å
15K92.9Very high91.3Very high181 Ų18149.5 Ų49.579%0.78725%0.248SC*.Hα-helixtrans-64.2-41176-174177.3-179.8177.20112.5A11 K12 L13A11-K15 WeakPolarHBondContact O-CB 3.44Å; A11-K15 PolarHBondContact O-N 2.99Å; K12-K15 PolarHBondContact O-N 3.47Å; L13-K15 VanDerWaalsContact C-N 3.34Å; L13-K15 PolarHBondContact O-N 3.42Å
16T91.6Very high90.8Very high41 Ų4153.5 Ų53.525%0.25227%0.274SS..Hα-helixtrans-70.9-39.9-179.2-64.10000112.2K12 L13 L70 Q73K12-T16 PolarHBondContact O-N 3.36Å; K12-T16 VanDerWaalsContact O-N 3.14Å; K12-T16 PolarHBondContact O-OG1 3.22Å; L13-T16 PolarHBondContact O-N 3.43Å; L13-T16 VanDerWaalsContact O-N 3.16Å; T16-L70 HydrophobicContact CG2-CD1 4.04Å; T16-Q73 HydrophobicContact CG2-CB 3.74Å; T16-Q73 VanDerWaalsContact CG2-OE1 3.28Å
17L90.6Very high90.5Very high38 Ų3853.7 Ų53.720%0.19928%0.276CS..Hα-helixtrans-99.8-1.2-174.3-66173.7000114.1L13 Q19 F24 L51 I56 L57 L70L13-L17 WeakPolarHBondContact O-CB 3.2Å; L13-L17 PolarHBondContact O-N 2.84Å; L17-Q19 VanDerWaalsContact C-N 3.35Å; L17-Q19 HydrophobicContact CB-CG 4.41Å; L17-Q19 PolarHBondContact O-N 3.09Å; L17-F24 HydrophobicContact CB-CZ 4Å; L17-F24 HydrophobicContact CD1-CE1 3.56Å; L17-F24 HydrophobicContact CD1-CZ 3.72Å; L17-F24 HydrophobicContact CG-CZ 4.46Å; L17-L51 HydrophobicContact CD1-CD1 4.27Å; L17-I56 HydrophobicContact CD1-CG2 4.11Å; L17-L57 HydrophobicContact CD2-CD2 4.15Å; L17-L70 HydrophobicContact CD1-CD1 4.06Å; L17-L70 HydrophobicContact CD1-CD2 4.3Å; L17-L70 HydrophobicContact CD2-CD1 3.95Å; L17-L70 HydrophobicContact CG-CD1 4.04Å
18Q90.4Very high90.5Very high174 Ų17450.7 Ų50.781%0.81327%0.265SS*.THydrogen-bonded Turntrans55.146.1-178.6-55.718019.700113A14A14-Q18 VanDerWaalsContact O-CA 3.26Å; A14-Q18 WeakPolarHBondContact O-CA 3.42Å; A14-Q18 PolarHBondContact O-N 3.4Å
19Q91.7Very high90.3Very high93 Ų9348 Ų4844%0.43526%0.257SS..SBendtrans-124.7168.4179.4-66.9-62.7-3100110.8A14 L17 F24 I56A14-Q19 WeakPolarHBondContact CA-O 3.2Å; A14-Q19 WeakPolarHBondContact CB-O 3.41Å; A14-Q19 PolarHBondContact O-N 2.85Å; L17-Q19 VanDerWaalsContact C-N 3.35Å; L17-Q19 HydrophobicContact CB-CG 4.41Å; L17-Q19 PolarHBondContact O-N 3.09Å; Q19-F24 HydrophobicContact CB-CE2 3.71Å; Q19-F24 HydrophobicContact CB-CZ 3.83Å; Q19-F24 HydrophobicContact CG-CZ 4.31Å; Q19-I56 HydrophobicContact CG-CG2 4.03Å
20S89.3Confident90.2Very high63 Ų6348.1 Ų48.144%0.44126%0.257SS..  trans-68.1146.4171.3-179.40000111.7D22 V23 F24S20-D22 PolarHBondContact O-N 3.03Å; S20-D22 PolarHBondContact OG-N 3.48Å; S20-D22 PolarHBondContact OG-OD2 2.8Å; S20-V23 PolarHBondContact O-N 2.79Å; S20-F24 WeakPolarHBondContact O-CD2 3.44Å; S20-F24 WeakPolarHBondContact O-CE2 3.43Å
21E89.4Confident90.1Very high69 Ų6948.4 Ų48.432%0.32226%0.26SS..G310 helixtrans-57.5-37.4174.9-64.9-174.2-171.300112.6R7 A10 A11 A14 V23 F24 V25R7-E21 WeakPolarHBondContact CD-OE2 3.31Å; R7-E21 IonicContact NH1-OE2 3.71Å; A10-E21 HydrophobicContact CB-CB 4.28Å; A11-E21 HydrophobicContact CB-CG 4.38Å; A11-E21 WeakPolarHBondContact CB-OE1 3.09Å; A14-E21 HydrophobicContact CB-CG 3.92Å; E21-V23 PolarHBondContact O-N 3.49Å; E21-F24 PolarHBondContact O-N 3Å; E21-V25 PolarHBondContact O-N 2.83Å
22D86.4Confident89.6Confident93 Ų9348.5 Ų48.550%0.49726%0.258SS..G310 helixtrans-60.6-23-174.5-60.2-39.1000112.6R7 S20 F24 P26R7-D22 IonicContact CZ-OD1 3.47Å; R7-D22 IonicContact NH1-OD1 3.55Å; R7-D22 PolarHBondContact NH1-OD1 3.4Å; R7-D22 IonicContact NH2-OD1 2.73Å; R7-D22 PolarHBondContact NH2-OD1 3.22Å; S20-D22 PolarHBondContact O-N 3.03Å; S20-D22 PolarHBondContact OG-N 3.48Å; S20-D22 PolarHBondContact OG-OD2 2.8Å; D22-F24 VanDerWaalsContact C-N 3.34Å; D22-P26 WeakPolarHBondContact O-CD 3.38Å
23V85.9Confident89.1Confident47 Ų4747.7 Ų47.729%0.28526%0.255SS..G310 helixtrans-73.6-28.7178.6-171.40000111.7S20 E21 I56S20-V23 PolarHBondContact O-N 2.79Å; E21-V23 PolarHBondContact O-N 3.49Å; V23-I56 HydrophobicContact CB-CD1 4.38Å; V23-I56 HydrophobicContact CG1-CD1 3.14Å; V23-I56 HydrophobicContact CG1-CG1 3.86Å
24F88.9Confident88.2Confident0 Ų052.4 Ų52.40%028%0.28CS..THydrogen-bonded Turntrans-93-26.8-176.7-58.9-74.4000113.6A10 L13 A14 L17 Q19 S20 E21 D22 A27 L28 L51 I56A10-F24 HydrophobicContact CB-CB 3.96Å; L13-F24 HydrophobicContact CB-CB 4.41Å; L13-F24 HydrophobicContact CB-CD1 3.79Å; L13-F24 HydrophobicContact CB-CD2 3.99Å; L13-F24 HydrophobicContact CB-CE1 4.03Å; L13-F24 HydrophobicContact CB-CE2 4.21Å; L13-F24 HydrophobicContact CB-CG 3.77Å; L13-F24 HydrophobicContact CB-CZ 4.24Å; L13-F24 HydrophobicContact CD1-CB 4.07Å; L13-F24 HydrophobicContact CD1-CD1 4.04Å; L13-F24 HydrophobicContact CD1-CG 4.15Å; L13-F24 HydrophobicContact CG-CD1 4.43Å; A14-F24 HydrophobicContact CB-CD2 4.2Å; A14-F24 HydrophobicContact CB-CE2 4.01Å; L17-F24 HydrophobicContact CB-CZ 4Å; L17-F24 HydrophobicContact CD1-CE1 3.56Å; L17-F24 HydrophobicContact CD1-CZ 3.72Å; L17-F24 HydrophobicContact CG-CZ 4.46Å; Q19-F24 HydrophobicContact CB-CE2 3.71Å; Q19-F24 HydrophobicContact CB-CZ 3.83Å; Q19-F24 HydrophobicContact CG-CZ 4.31Å; S20-F24 WeakPolarHBondContact O-CD2 3.44Å; S20-F24 WeakPolarHBondContact O-CE2 3.43Å; E21-F24 PolarHBondContact O-N 3Å; D22-F24 VanDerWaalsContact C-N 3.34Å; F24-A27 WeakPolarHBondContact O-CB 3.45Å; F24-A27 PolarHBondContact O-N 2.97Å; F24-L28 WeakPolarHBondContact O-CG 3.25Å; F24-L28 PolarHBondContact O-N 3.3Å; F24-L51 HydrophobicContact CD1-CD1 4.33Å; F24-L51 HydrophobicContact CD1-CD2 3.65Å; F24-L51 HydrophobicContact CE1-CD1 4.08Å; F24-L51 HydrophobicContact CE1-CD2 3.83Å; F24-I56 HydrophobicContact CE1-CD1 4.43Å; F24-I56 HydrophobicContact CE1-CG2 4.24Å; F24-I56 HydrophobicContact CZ-CG2 4.25Å
25V86.5Confident86.5Confident8 Ų861.1 Ų61.15%0.04832%0.316CS..G310 helixtrans-53.8-47.1-178.2171.40000112.1A10 E21 A27 L28 E120A10-V25 HydrophobicContact CB-CG2 3.91Å; E21-V25 PolarHBondContact O-N 2.83Å; V25-A27 VanDerWaalsContact C-N 3.26Å; V25-A27 PolarHBondContact O-N 3.41Å; V25-L28 PolarHBondContact O-N 3.25Å; V25-E120 HydrophobicContact CG1-CB 4.09Å; V25-E120 WeakPolarHBondContact CG1-OE2 3.45Å
26P82.8Confident84.6Confident84 Ų8461.9 Ų61.955%0.54532%0.32SS..G310 helixtrans-67.4-22.8178-20.733.9000114.3D22D22-P26 WeakPolarHBondContact O-CD 3.38Å
27A86.8Confident82.6Confident6 Ų664.5 Ų64.55%0.0533%0.329CS..G310 helixtrans-83.8-14.9179.700000113F24 V25 M46 T50 L51F24-A27 WeakPolarHBondContact O-CB 3.45Å; F24-A27 PolarHBondContact O-N 2.97Å; V25-A27 VanDerWaalsContact C-N 3.26Å; V25-A27 PolarHBondContact O-N 3.41Å; A27-M46 HydrophobicContact CB-CG 4.08Å; A27-M46 HydrophobicContact CB-SD 4.44Å; A27-T50 HydrophobicContact CB-CG2 3.77Å; A27-L51 HydrophobicContact CB-CD2 4.11Å
28L91.3Very high80.5Confident0 Ų068.7 Ų68.70%035%0.351CS..EExtended strand (participates in β ladder)trans-91.5115.4-179.3-74.2164.1000110.9R6 I9 A10 L13 F24 V25 M46 F92R6-L28 HydrophobicContact CG-CB 4.38Å; R6-L28 WeakPolarHBondContact O-CD1 3.07Å; I9-L28 HydrophobicContact CB-CD1 3.96Å; I9-L28 HydrophobicContact CB-CD2 4.28Å; I9-L28 HydrophobicContact CG2-CD1 3.86Å; I9-L28 HydrophobicContact CG2-CD2 3.52Å; I9-L28 HydrophobicContact CG2-CG 4.37Å; A10-L28 HydrophobicContact CB-CD1 4.04Å; L13-L28 HydrophobicContact CD1-CD1 4.3Å; L13-L28 HydrophobicContact CD1-CD2 4.32Å; F24-L28 WeakPolarHBondContact O-CG 3.25Å; F24-L28 PolarHBondContact O-N 3.3Å; V25-L28 PolarHBondContact O-N 3.25Å; L28-M46 HydrophobicContact CD2-CB 3.95Å; L28-M46 HydrophobicContact CD2-CG 4.47Å; L28-M46 HydrophobicContact CD2-SD 4.49Å; L28-F92 HydrophobicContact CD2-CD2 4.31Å; L28-F92 HydrophobicContact CD2-CE2 3.9Å
29T91.6Very high78.2Confident39 Ų3965.9 Ų65.924%0.23935%0.351CS..EExtended strand (participates in β ladder)trans-117.8145.1178.760.30000111.2A31 F44 R45 E510T29-A31 PolarHBondContact O-N 3.48Å; T29-F44 CarbonylContact O-C 3.39Å; T29-F44 WeakPolarHBondContact O-CA 3.48Å; T29-R45 PolarHBondContact N-O 3.49Å; T29-R45 PolarHBondContact O-N 3.07Å; T29-R45 WeakPolarHBondContact OG1-CG 3.27Å; T29-R45 PolarHBondContact OG1-O 3.25Å; T29-E510 WeakPolarHBondContact CA-OE1 3.04Å
30A92.1Very high76.4Confident2 Ų265.4 Ų65.42%0.01735%0.348CS..EExtended strand (participates in β ladder)trans-68.1131.217400000109.4D43 F44 L506 R507 E510A30-D43 CarbonylContact C-O 3.55Å; A30-D43 WeakPolarHBondContact CA-O 3.3Å; A30-F44 HydrophobicContact CB-CD1 4.44Å; A30-F44 HydrophobicContact CB-CE1 4.12Å; A30-L506 HydrophobicContact CB-CB 4.01Å; A30-R507 HydrophobicContact CB-CB 4.43Å; A30-R507 HydrophobicContact CB-CG 3.52Å; A30-E510 PolarHBondContact N-OE1 3.46Å; A30-E510 PolarHBondContact N-OE2 3.25Å
31A89.9Confident75.6Confident7 Ų764.6 Ų64.66%0.05834%0.343CS..PPolyproline II helixtrans-69.2129-175.500000109.8T29 V33 A42 D43T29-A31 PolarHBondContact O-N 3.48Å; A31-V33 PolarHBondContact O-N 3.46Å; A31-A42 WeakPolarHBondContact CB-O 3.31Å; A31-D43 PolarHBondContact N-O 2.89Å
32P85.3Confident75.5Confident33 Ų3361.9 Ų61.921%0.21433%0.332CS..PPolyproline II helixtrans-68.3133.8178.525.5-31.3000110.6L34P32-L34 PolarHBondContact O-N 3.06Å
33V82.5Confident75.8Confident14 Ų1457.5 Ų57.59%0.08531%0.309CS..  trans-67.5113.5174.6-176.40000109.8A31 D500 Q503 H504 K530 F534A31-V33 PolarHBondContact O-N 3.46Å; V33-D500 HydrophobicContact CG1-CB 4.13Å; V33-D500 WeakPolarHBondContact CG1-OD1 3.45Å; V33-Q503 HydrophobicContact CG2-CB 3.62Å; V33-H504 HydrophobicContact CG2-CB 4.39Å; V33-K530 WeakPolarHBondContact O-CE 3.33Å; V33-K530 PolarHBondContact O-NZ 3.46Å; V33-F534 HydrophobicContact CB-CE2 4.08Å; V33-F534 HydrophobicContact CB-CZ 3.66Å; V33-F534 HydrophobicContact CG1-CE1 3.95Å; V33-F534 HydrophobicContact CG1-CE2 4.25Å; V33-F534 HydrophobicContact CG1-CZ 3.48Å; V33-F534 VanDerWaalsContact CG1-CZ 3.48Å; V33-F534 HydrophobicContact CG2-CE2 4.38Å; V33-F534 HydrophobicContact CG2-CZ 4.38Å
34L72.8Confident76.2Confident100 Ų10055.3 Ų55.352%0.52430%0.295SS..  trans-108.3133.2-177.4-67.7173.2000111.5P32 K36P32-L34 PolarHBondContact O-N 3.06Å; L34-K36 VanDerWaalsContact C-N 3.26Å; L34-K36 PolarHBondContact O-N 2.87Å
35K57.6Low76.3Confident191 Ų19158.5 Ų58.583%0.8331%0.307SS*.THydrogen-bonded Turntrans-62.1-26.7-178.7-74.7-173.6175.8-177.60114.3
36K52.3Low76.6Confident197 Ų19758.1 Ų58.186%0.85731%0.305SS*.THydrogen-bonded Turntrans-97.8-5-169.1-81.5-172.8175.5-177.20115.9L34 L38L34-K36 VanDerWaalsContact C-N 3.26Å; L34-K36 PolarHBondContact O-N 2.87Å; K36-L38 PolarHBondContact O-N 3.47Å
37Q51.2Low76.9Confident96 Ų9654.8 Ų54.845%0.44928%0.284SS..  trans-101.683.9176.8-77.9-177.9-20.400110.3
38L46.8Very low76.8Confident126 Ų12654.5 Ų54.566%0.6628%0.282SS*.  trans-66.1125.9166.5-68.8124.5000108.4K36K36-L38 PolarHBondContact O-N 3.47Å
39S40.6Very low76.6Confident116 Ų11658.2 Ų58.281%0.81130%0.299SS*.SBendtrans105.5-18.6162.676.90000121.3
40Q55Low76.2Confident82 Ų8258.8 Ų58.838%0.38330%0.302SS..  trans-149.170.5-178.7-71.3172.7-2700113A42 R86Q40-A42 PolarHBondContact O-N 3.28Å; Q40-A42 VanDerWaalsContact O-N 3.15Å; Q40-R86 VanDerWaalsContact CB-NH2 3.29Å
41S71.6Confident75.9Confident46 Ų4658.7 Ų58.732%0.32230%0.302SS..  trans-77.599.1177.4620000110.9R96 Q503S41-R96 PolarHBondContact O-NH2 3.39Å; S41-Q503 PolarHBondContact O-NE2 2.73Å; S41-Q503 PolarHBondContact OG-NE2 3.47Å; S41-Q503 VanDerWaalsContact OG-NE2 3.13Å; S41-Q503 PolarHBondContact OG-OE1 3.39Å
42A87.1Confident75.8Confident13 Ų1360 Ų6011%0.10731%0.305CS..  trans-63.5156.3164.900000110.9A31 Q40 Y91 Q503A31-A42 WeakPolarHBondContact CB-O 3.31Å; Q40-A42 PolarHBondContact O-N 3.28Å; Q40-A42 VanDerWaalsContact O-N 3.15Å; A42-Y91 HydrophobicContact CB-CD1 3.71Å; A42-Y91 HydrophobicContact CB-CG 4.05Å; A42-Q503 PolarHBondContact O-NE2 3.17Å
43D92.5Very high75.7Confident1 Ų164.5 Ų64.51%0.00533%0.326CS..SBendtrans-103.8-31.9-176.4-49.3-81.1000111.7A30 A31 F92 K93 L94 R96 Q503 L506A30-D43 CarbonylContact C-O 3.55Å; A30-D43 WeakPolarHBondContact CA-O 3.3Å; A31-D43 PolarHBondContact N-O 2.89Å; D43-F92 PolarHBondContact N-O 3.27Å; D43-K93 WeakPolarHBondContact OD2-CA 3.34Å; D43-L94 HydrophobicContact CB-CB 4.45Å; D43-L94 HydrophobicContact CB-CD1 3.83Å; D43-L94 HydrophobicContact CB-CG 3.89Å; D43-L94 PolarHBondContact OD2-N 2.93Å; D43-R96 VanDerWaalsContact CG-NH1 3.25Å; D43-R96 IonicContact OD1-CZ 2.74Å; D43-R96 IonicContact OD1-NH1 2.64Å; D43-R96 PolarHBondContact OD1-NH1 3.17Å; D43-R96 IonicContact OD1-NH2 3.17Å; D43-R96 IonicContact OD2-CZ 3.55Å; D43-R96 IonicContact OD2-NH1 2.88Å; D43-R96 PolarHBondContact OD2-NH1 2.92Å; D43-R96 IonicContact OD2-NH2 3.57Å; D43-Q503 VanDerWaalsContact OD1-CG 3.27Å; D43-Q503 WeakPolarHBondContact OD1-CG 3.49Å; D43-Q503 PolarHBondContact OD1-NE2 3.16Å; D43-L506 HydrophobicContact CB-CD1 4.09Å
44F93.9Very high75.7Confident0 Ų068.1 Ų68.10%035%0.345CS..EExtended strand (participates in β ladder)trans-125.8155174.2-77.9-85.5000110.8A2 F5 R6 I9 T29 A30 Y91 F92 L94 L506A2-F44 HydrophobicContact CB-CZ 4.5Å; F5-F44 HydrophobicContact CB-CD2 4.34Å; F5-F44 HydrophobicContact CB-CE2 3.6Å; F5-F44 HydrophobicContact CB-CZ 4.15Å; F5-F44 HydrophobicContact CG-CE2 4.43Å; R6-F44 HydrophobicContact CG-CD1 4.08Å; R6-F44 HydrophobicContact CG-CE1 3.36Å; R6-F44 HydrophobicContact CG-CZ 3.83Å; I9-F44 HydrophobicContact CD1-CB 3.68Å; I9-F44 HydrophobicContact CD1-CD2 3.85Å; I9-F44 HydrophobicContact CD1-CG 3.79Å; T29-F44 CarbonylContact O-C 3.39Å; T29-F44 WeakPolarHBondContact O-CA 3.48Å; A30-F44 HydrophobicContact CB-CD1 4.44Å; A30-F44 HydrophobicContact CB-CE1 4.12Å; F44-Y91 WeakPolarHBondContact O-CA 3.41Å; F44-F92 HydrophobicContact CB-CB 4.18Å; F44-F92 HydrophobicContact CB-CD2 4.24Å; F44-F92 PolarHBondContact N-O 3.46Å; F44-F92 VanDerWaalsContact N-O 3.12Å; F44-F92 PolarHBondContact O-N 3Å; F44-L94 HydrophobicContact CD2-CD1 3.8Å; F44-L94 HydrophobicContact CD2-CG 4.33Å; F44-L94 HydrophobicContact CE2-CD1 3.75Å; F44-L506 HydrophobicContact CE2-CD1 3.98Å; F44-L506 HydrophobicContact CE2-CD2 4.34Å; F44-L506 HydrophobicContact CZ-CD1 4.42Å; F44-L506 HydrophobicContact CZ-CD2 4.3Å
45R92.9Very high76.2Confident67 Ų6766.5 Ų66.525%0.25335%0.353SS..EExtended strand (participates in β ladder)trans-142.2153.4172.566.6-179.8-177.9171.84.2111T29 W89 I90 Y91T29-R45 PolarHBondContact N-O 3.49Å; T29-R45 PolarHBondContact O-N 3.07Å; T29-R45 WeakPolarHBondContact OG1-CG 3.27Å; T29-R45 PolarHBondContact OG1-O 3.25Å; R45-W89 HydrophobicContact CB-CE3 3.98Å; R45-W89 HydrophobicContact CG-CE3 3.8Å; R45-W89 HydrophobicContact CG-CZ3 3.93Å; R45-I90 CarbonylContact C-O 3.5Å; R45-I90 WeakPolarHBondContact CA-O 3.47Å; R45-Y91 HydrophobicContact CB-CD1 3.74Å; R45-Y91 HydrophobicContact CB-CE1 3.8Å; R45-Y91 HydrophobicContact CB-CG 4.46Å
46M92.1Very high77.6Confident0 Ų058.8 Ų58.80%032%0.32CS..EExtended strand (participates in β ladder)trans-136138.6174.6-173.9-176.366.700109.4L13 A27 L28 L51 L70 I90 F92L13-M46 HydrophobicContact CD1-CE 4.01Å; L13-M46 HydrophobicContact CD1-SD 3.5Å; L13-M46 VanDerWaalsContact CD1-SD 3.5Å; L13-M46 HydrophobicContact CD2-CE 3.69Å; L13-M46 HydrophobicContact CD2-SD 4.27Å; A27-M46 HydrophobicContact CB-CG 4.08Å; A27-M46 HydrophobicContact CB-SD 4.44Å; L28-M46 HydrophobicContact CD2-CB 3.95Å; L28-M46 HydrophobicContact CD2-CG 4.47Å; L28-M46 HydrophobicContact CD2-SD 4.49Å; M46-L51 HydrophobicContact CE-CD1 3.67Å; M46-L51 HydrophobicContact SD-CD1 3.89Å; M46-L51 HydrophobicContact SD-CD2 4.23Å; M46-L51 HydrophobicContact SD-CG 4.27Å; M46-L70 HydrophobicContact CE-CD2 4.11Å; M46-I90 HydrophobicContact CE-CD1 3.98Å; M46-I90 PolarHBondContact N-O 3.01Å; M46-I90 PolarHBondContact O-N 3.44Å; M46-F92 HydrophobicContact CB-CE2 4.19Å
47S88.5Confident79.2Confident15 Ų1550.2 Ų50.211%0.10528%0.284CS..  trans-93.9119.6169-178.70000109.1E49 T50S47-E49 PolarHBondContact O-N 3.36Å; S47-E49 WeakPolarHBondContact OG-CB 3.21Å; S47-E49 PolarHBondContact OG-N 3.5Å; S47-T50 WeakPolarHBondContact O-CB 3.37Å; S47-T50 PolarHBondContact O-N 3.05Å; S47-T50 VanDerWaalsContact O-N 3.12Å
48P85.3Confident80.7Confident0 Ų049.3 Ų49.30%029%0.286CS..Hα-helixtrans-62.5-18.4172.1-26.940.7000113.2T50 L51 R52 L57 L63 T67 G88 I90P48-T50 VanDerWaalsContact C-N 3.27Å; P48-T50 PolarHBondContact O-N 3.44Å; P48-L51 WeakPolarHBondContact O-CA 3.43Å; P48-L51 WeakPolarHBondContact O-CB 3.44Å; P48-L51 PolarHBondContact O-N 3.18Å; P48-R52 PolarHBondContact O-N 2.97Å; P48-L57 HydrophobicContact CB-CD1 3.76Å; P48-L63 HydrophobicContact CB-CD1 4.1Å; P48-T67 HydrophobicContact CG-CG2 3.84Å; P48-T67 WeakPolarHBondContact CG-OG1 3.37Å; P48-G88 WeakPolarHBondContact CD-O 3.41Å; P48-I90 HydrophobicContact CG-CD1 4.17Å; P48-I90 HydrophobicContact CG-CG1 4.13Å
49E86Confident82.4Confident77 Ų7748.5 Ų48.536%0.3629%0.291SS..Hα-helixtrans-60.5-38.1172.1-169.563.6-165.900111.7S47 L51 R52 I53 L63S47-E49 PolarHBondContact O-N 3.36Å; S47-E49 WeakPolarHBondContact OG-CB 3.21Å; S47-E49 PolarHBondContact OG-N 3.5Å; E49-L51 PolarHBondContact O-N 3.23Å; E49-R52 WeakPolarHBondContact O-CB 3.36Å; E49-R52 PolarHBondContact O-N 3.45Å; E49-R52 VanDerWaalsContact O-N 3.12Å; E49-R52 WeakPolarHBondContact OE2-CD 3.33Å; E49-R52 IonicContact OE2-NH1 3.87Å; E49-I53 HydrophobicContact CG-CD1 4.23Å; E49-I53 WeakPolarHBondContact O-CG1 3.41Å; E49-I53 PolarHBondContact O-N 2.92Å; E49-L63 HydrophobicContact CB-CD2 4.29Å; E49-L63 WeakPolarHBondContact OE2-CD2 3.45Å
50T84.8Confident84.2Confident51 Ų5147.1 Ų47.131%0.31328%0.282SS..Hα-helixtrans-61.4-35.4174.3-53.70000111.2A27 S47 P48 N54A27-T50 HydrophobicContact CB-CG2 3.77Å; S47-T50 WeakPolarHBondContact O-CB 3.37Å; S47-T50 PolarHBondContact O-N 3.05Å; S47-T50 VanDerWaalsContact O-N 3.12Å; P48-T50 VanDerWaalsContact C-N 3.27Å; P48-T50 PolarHBondContact O-N 3.44Å; T50-N54 WeakPolarHBondContact O-CB 3.44Å; T50-N54 VanDerWaalsContact O-CG 3.27Å; T50-N54 PolarHBondContact O-N 3.27Å; T50-N54 VanDerWaalsContact O-N 3.16Å; T50-N54 PolarHBondContact O-ND2 3.01Å
51L85.5Confident85.4Confident0 Ų046 Ų460%029%0.292CS..Hα-helixtrans-72.5-32.5176.9-54.3-176.8000112.2L17 F24 A27 M46 P48 E49 G55 I56 L57 L70L17-L51 HydrophobicContact CD1-CD1 4.27Å; F24-L51 HydrophobicContact CD1-CD1 4.33Å; F24-L51 HydrophobicContact CD1-CD2 3.65Å; F24-L51 HydrophobicContact CE1-CD1 4.08Å; F24-L51 HydrophobicContact CE1-CD2 3.83Å; A27-L51 HydrophobicContact CB-CD2 4.11Å; M46-L51 HydrophobicContact CE-CD1 3.67Å; M46-L51 HydrophobicContact SD-CD1 3.89Å; M46-L51 HydrophobicContact SD-CD2 4.23Å; M46-L51 HydrophobicContact SD-CG 4.27Å; P48-L51 WeakPolarHBondContact O-CA 3.43Å; P48-L51 WeakPolarHBondContact O-CB 3.44Å; P48-L51 PolarHBondContact O-N 3.18Å; E49-L51 PolarHBondContact O-N 3.23Å; L51-G55 PolarHBondContact O-N 2.96Å; L51-I56 HydrophobicContact CB-CB 4.21Å; L51-I56 HydrophobicContact CB-CD1 4.2Å; L51-I56 HydrophobicContact CD2-CD1 3.69Å; L51-I56 WeakPolarHBondContact O-CB 3.21Å; L51-I56 PolarHBondContact O-N 2.84Å; L51-L57 HydrophobicContact CB-CB 4.42Å; L51-L57 HydrophobicContact CB-CD1 3.89Å; L51-L57 HydrophobicContact CB-CG 3.88Å; L51-L57 HydrophobicContact CD1-CD1 4.08Å; L51-L57 HydrophobicContact CD1-CG 4.37Å; L51-L57 PolarHBondContact O-N 3.34Å; L51-L70 HydrophobicContact CD1-CD2 4.13Å
52R86.4Confident86.1Confident35 Ų3548.6 Ų48.613%0.13230%0.302CS..Hα-helixtrans-66.9-46.8172.7-72.7-179.8169.6-167-11.7112.2P48 E49 N54 G55 L57 G61 L63 Q66P48-R52 PolarHBondContact O-N 2.97Å; E49-R52 WeakPolarHBondContact O-CB 3.36Å; E49-R52 PolarHBondContact O-N 3.45Å; E49-R52 VanDerWaalsContact O-N 3.12Å; E49-R52 WeakPolarHBondContact OE2-CD 3.33Å; E49-R52 IonicContact OE2-NH1 3.87Å; R52-N54 PolarHBondContact O-N 2.85Å; R52-G55 PolarHBondContact O-N 3.24Å; R52-L57 HydrophobicContact CG-CB 3.79Å; R52-G61 PolarHBondContact NH2-O 2.81Å; R52-L63 VanDerWaalsContact CZ-CD1 3.49Å; R52-L63 VanDerWaalsContact NH2-N 3.16Å; R52-Q66 VanDerWaalsContact CZ-OE1 3.23Å
53I84.2Confident86Confident127 Ų12750.1 Ų50.165%0.65131%0.308SS*.Hα-helixtrans-57.8-37.7177.5-69.1162000110.4E49 G55E49-I53 HydrophobicContact CG-CD1 4.23Å; E49-I53 WeakPolarHBondContact O-CG1 3.41Å; E49-I53 PolarHBondContact O-N 2.92Å; I53-G55 PolarHBondContact O-N 3.4Å
54N83Confident85.8Confident90 Ų9053.2 Ų53.248%0.48132%0.322SS..THydrogen-bonded Turntrans-81.95.4177.2-66.3-13.5000114.1T50 R52 I56T50-N54 WeakPolarHBondContact O-CB 3.44Å; T50-N54 VanDerWaalsContact O-CG 3.27Å; T50-N54 PolarHBondContact O-N 3.27Å; T50-N54 VanDerWaalsContact O-N 3.16Å; T50-N54 PolarHBondContact O-ND2 3.01Å; R52-N54 PolarHBondContact O-N 2.85Å; N54-I56 VanDerWaalsContact C-N 3.28Å; N54-I56 HydrophobicContact CB-CD1 3.87Å; N54-I56 HydrophobicContact CB-CG1 4.22Å; N54-I56 PolarHBondContact O-N 3.22Å
55G83.5Confident85.4Confident67 Ų6757.5 Ų57.569%0.69135%0.345SS*.THydrogen-bonded Turntrans7213.6176.900000115.5L51 R52 I53L51-G55 PolarHBondContact O-N 2.96Å; R52-G55 PolarHBondContact O-N 3.24Å; I53-G55 PolarHBondContact O-N 3.4Å
56I85.7Confident85.2Confident28 Ų2855.9 Ų55.914%0.14434%0.34CS..SBendtrans-83.8-40.6-178.7-56.5156000110.7L17 Q19 V23 F24 L51 N54L17-I56 HydrophobicContact CD1-CG2 4.11Å; Q19-I56 HydrophobicContact CG-CG2 4.03Å; V23-I56 HydrophobicContact CB-CD1 4.38Å; V23-I56 HydrophobicContact CG1-CD1 3.14Å; V23-I56 HydrophobicContact CG1-CG1 3.86Å; F24-I56 HydrophobicContact CE1-CD1 4.43Å; F24-I56 HydrophobicContact CE1-CG2 4.24Å; F24-I56 HydrophobicContact CZ-CG2 4.25Å; L51-I56 HydrophobicContact CB-CB 4.21Å; L51-I56 HydrophobicContact CB-CD1 4.2Å; L51-I56 HydrophobicContact CD2-CD1 3.69Å; L51-I56 WeakPolarHBondContact O-CB 3.21Å; L51-I56 PolarHBondContact O-N 2.84Å; N54-I56 VanDerWaalsContact C-N 3.28Å; N54-I56 HydrophobicContact CB-CD1 3.87Å; N54-I56 HydrophobicContact CB-CG1 4.22Å; N54-I56 PolarHBondContact O-N 3.22Å
57L85.4Confident85Confident18 Ų1855.9 Ų55.99%0.09434%0.34CS..SBendtrans-100.9148.2172.4-69.8-179000109.9L17 P48 L51 R52 S59 L70L17-L57 HydrophobicContact CD2-CD2 4.15Å; P48-L57 HydrophobicContact CB-CD1 3.76Å; L51-L57 HydrophobicContact CB-CB 4.42Å; L51-L57 HydrophobicContact CB-CD1 3.89Å; L51-L57 HydrophobicContact CB-CG 3.88Å; L51-L57 HydrophobicContact CD1-CD1 4.08Å; L51-L57 HydrophobicContact CD1-CG 4.37Å; L51-L57 PolarHBondContact O-N 3.34Å; R52-L57 HydrophobicContact CG-CB 3.79Å; L57-S59 PolarHBondContact O-N 3.03Å; L57-L70 HydrophobicContact CD1-CD2 4.39Å
58P84.1Confident85.1Confident77 Ų7759.5 Ų59.550%0.536%0.355SS..  trans-55.9130.9175.8-23.132.8000111.5S60 Q66P58-S60 PolarHBondContact O-N 2.88Å; P58-Q66 PolarHBondContact O-NE2 3.44Å
59S81.9Confident85.3Confident108 Ų10863.5 Ų63.576%0.75538%0.377SS*.SBendtrans-69.3-19.3176.954.40000113.1L57L57-S59 PolarHBondContact O-N 3.03Å
60S78.6Confident85.6Confident88 Ų8860.1 Ų60.162%0.61536%0.361SS*.SBendtrans-95.3146.9174.357.60000112.1P58 Q66P58-S60 PolarHBondContact O-N 2.88Å; S60-Q66 PolarHBondContact O-NE2 2.82Å
61G80.3Confident85.9Confident58 Ų5858.3 Ų58.360%0.59835%0.351SS*.SBendtrans106.6172.8175.600000114.9R52 L63R52-G61 PolarHBondContact NH2-O 2.81Å; G61-L63 PolarHBondContact O-N 3.47Å
62D86.4Confident86.2Confident101 Ų10162.3 Ų62.354%0.5439%0.385SS..  trans-71.8120.2-179.2-174.5-12.9000111.2Q64 L65 Q66D62-Q64 VanDerWaalsContact C-N 3.31Å; D62-Q64 PolarHBondContact O-N 3.41Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.25Å; D62-Q64 PolarHBondContact OD1-N 3.49Å; D62-L65 HydrophobicContact CB-CB 3.98Å; D62-L65 PolarHBondContact O-N 2.92Å; D62-Q66 WeakPolarHBondContact O-CG 3.42Å; D62-Q66 PolarHBondContact O-N 2.98Å
63L85.8Confident86.6Confident45 Ų4566 Ų6624%0.23640%0.404CS..Hα-helixtrans-63.1-38.5179.5-176.763.7000111.9P48 E49 R52 G61 Q66 T67P48-L63 HydrophobicContact CB-CD1 4.1Å; E49-L63 HydrophobicContact CB-CD2 4.29Å; E49-L63 WeakPolarHBondContact OE2-CD2 3.45Å; R52-L63 VanDerWaalsContact CZ-CD1 3.49Å; R52-L63 VanDerWaalsContact NH2-N 3.16Å; G61-L63 PolarHBondContact O-N 3.47Å; L63-Q66 PolarHBondContact O-N 3.47Å; L63-T67 WeakPolarHBondContact O-CB 3.46Å; L63-T67 PolarHBondContact O-N 3.49Å; L63-T67 PolarHBondContact O-OG1 2.97Å
64Q86.8Confident87Confident65 Ų6560.5 Ų60.530%0.30438%0.375SS..Hα-helixtrans-65-46.5-179-177.462.227.600109.7D62 Q66 T67 E68 G88D62-Q64 VanDerWaalsContact C-N 3.31Å; D62-Q64 PolarHBondContact O-N 3.41Å; D62-Q64 WeakPolarHBondContact OD1-CB 3.25Å; D62-Q64 PolarHBondContact OD1-N 3.49Å; Q64-Q66 PolarHBondContact O-N 3.47Å; Q64-T67 WeakPolarHBondContact O-CB 3.35Å; Q64-T67 PolarHBondContact O-N 3.03Å; Q64-E68 PolarHBondContact NE2-OE1 3.43Å; Q64-E68 WeakPolarHBondContact O-CG 3.38Å; Q64-E68 PolarHBondContact O-N 2.99Å; Q64-G88 VanDerWaalsContact OE1-N 3.12Å
65L87Confident87.5Confident90 Ų9064.2 Ų64.247%0.47139%0.387SS..Hα-helixtrans-63.6-42.1177.1-17266.5000112.1D62 T67 E68 N69D62-L65 HydrophobicContact CB-CB 3.98Å; D62-L65 PolarHBondContact O-N 2.92Å; L65-T67 VanDerWaalsContact C-N 3.3Å; L65-T67 PolarHBondContact O-N 3.06Å; L65-E68 PolarHBondContact O-N 3.08Å; L65-N69 VanDerWaalsContact O-CB 3.3Å; L65-N69 WeakPolarHBondContact O-CB 3.49Å; L65-N69 PolarHBondContact O-N 3.49Å; L65-N69 PolarHBondContact O-ND2 3.28Å
66Q87.2Confident87.9Confident33 Ų3364.6 Ų64.615%0.15438%0.378CS..Hα-helixtrans-62.4-39.1174.8-75.2-179-2.500112.1R52 P58 S60 D62 L63 Q64 L70R52-Q66 VanDerWaalsContact CZ-OE1 3.23Å; P58-Q66 PolarHBondContact O-NE2 3.44Å; S60-Q66 PolarHBondContact O-NE2 2.82Å; D62-Q66 WeakPolarHBondContact O-CG 3.42Å; D62-Q66 PolarHBondContact O-N 2.98Å; L63-Q66 PolarHBondContact O-N 3.47Å; Q64-Q66 PolarHBondContact O-N 3.47Å; Q66-L70 VanDerWaalsContact O-CB 3.29Å; Q66-L70 WeakPolarHBondContact O-CB 3.3Å; Q66-L70 PolarHBondContact O-N 2.86Å
67T88.9Confident88.3Confident0 Ų066.7 Ų66.70%039%0.389CS..Hα-helixtrans-63.1-48177-58.50000111P48 L63 Q64 L65 L70 A71 V85 I90P48-T67 HydrophobicContact CG-CG2 3.84Å; P48-T67 WeakPolarHBondContact CG-OG1 3.37Å; L63-T67 WeakPolarHBondContact O-CB 3.46Å; L63-T67 PolarHBondContact O-N 3.49Å; L63-T67 PolarHBondContact O-OG1 2.97Å; Q64-T67 WeakPolarHBondContact O-CB 3.35Å; Q64-T67 PolarHBondContact O-N 3.03Å; L65-T67 VanDerWaalsContact C-N 3.3Å; L65-T67 PolarHBondContact O-N 3.06Å; T67-L70 PolarHBondContact O-N 2.89Å; T67-A71 WeakPolarHBondContact O-CB 3.32Å; T67-A71 PolarHBondContact O-N 3.49Å; T67-V85 HydrophobicContact CG2-CB 4.47Å; T67-V85 HydrophobicContact CG2-CG1 3.55Å; T67-V85 HydrophobicContact CG2-CG2 4.08Å; T67-I90 HydrophobicContact CG2-CD1 4.38Å; T67-I90 HydrophobicContact CG2-CG1 3.69Å
68E90.4Very high88.7Confident91 Ų9170.6 Ų70.643%0.42542%0.418SS..Hα-helixtrans-63.5-45.6178.5-72.4171.7-174.200111.6Q64 L65 L70 A71 A72 V85Q64-E68 PolarHBondContact NE2-OE1 3.43Å; Q64-E68 WeakPolarHBondContact O-CG 3.38Å; Q64-E68 PolarHBondContact O-N 2.99Å; L65-E68 PolarHBondContact O-N 3.08Å; E68-L70 PolarHBondContact O-N 3.39Å; E68-A71 PolarHBondContact O-N 3.33Å; E68-A72 WeakPolarHBondContact O-CB 3.38Å; E68-A72 PolarHBondContact O-N 2.95Å; E68-V85 HydrophobicContact CG-CG1 4.19Å
69N90.2Very high89.2Confident85 Ų8567.3 Ų67.346%0.45540%0.396SS..Hα-helixtrans-61.5-43.9176.9-74.3-21.9000112.1L65 A72 Q73L65-N69 VanDerWaalsContact O-CB 3.3Å; L65-N69 WeakPolarHBondContact O-CB 3.49Å; L65-N69 PolarHBondContact O-N 3.49Å; L65-N69 PolarHBondContact O-ND2 3.28Å; N69-A72 PolarHBondContact O-N 2.97Å; N69-Q73 WeakPolarHBondContact O-CG 3.47Å; N69-Q73 PolarHBondContact O-N 3.45Å
70L90.9Very high89.9Confident6 Ų662.1 Ų62.13%0.03136%0.36CS..Hα-helixtrans-64.4-46.5177177.956.2000110.9L13 T16 L17 M46 L51 L57 Q66 T67 E68 A72 Q73 L74 I90L13-L70 HydrophobicContact CD2-CD2 4.42Å; T16-L70 HydrophobicContact CG2-CD1 4.04Å; L17-L70 HydrophobicContact CD1-CD1 4.06Å; L17-L70 HydrophobicContact CD1-CD2 4.3Å; L17-L70 HydrophobicContact CD2-CD1 3.95Å; L17-L70 HydrophobicContact CG-CD1 4.04Å; M46-L70 HydrophobicContact CE-CD2 4.11Å; L51-L70 HydrophobicContact CD1-CD2 4.13Å; L57-L70 HydrophobicContact CD1-CD2 4.39Å; Q66-L70 VanDerWaalsContact O-CB 3.29Å; Q66-L70 WeakPolarHBondContact O-CB 3.3Å; Q66-L70 PolarHBondContact O-N 2.86Å; T67-L70 PolarHBondContact O-N 2.89Å; E68-L70 PolarHBondContact O-N 3.39Å; L70-A72 VanDerWaalsContact C-N 3.31Å; L70-A72 PolarHBondContact O-N 2.98Å; L70-Q73 PolarHBondContact O-N 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.34Å; L70-L74 PolarHBondContact O-N 2.89Å; L70-I90 HydrophobicContact CB-CD1 4.18Å; L70-I90 HydrophobicContact CD2-CD1 3.83Å; L70-I90 HydrophobicContact CG-CD1 3.86Å
71A92.2Very high90.6Very high12 Ų1261.8 Ų61.810%0.09935%0.349CS..Hα-helixtrans-61.9-38.3178.900000112.5T67 E68 Q73 L74 I83 V85 I90T67-A71 WeakPolarHBondContact O-CB 3.32Å; T67-A71 PolarHBondContact O-N 3.49Å; E68-A71 PolarHBondContact O-N 3.33Å; A71-Q73 PolarHBondContact O-N 3.39Å; A71-L74 PolarHBondContact O-N 3.2Å; A71-L74 VanDerWaalsContact O-N 3.14Å; A71-I83 HydrophobicContact CB-CG2 4.41Å; A71-V85 HydrophobicContact CB-CG2 3.25Å; A71-I90 HydrophobicContact CB-CD1 4.21Å; A71-I90 HydrophobicContact CB-CG1 4.38Å; A71-I90 HydrophobicContact CB-CG2 4.34Å
72A92.3Very high91.2Very high85 Ų8561.8 Ų61.870%0.70233%0.333SS*.Hα-helixtrans-65.1-26.2177.400000113.5E68 N69 L70E68-A72 WeakPolarHBondContact O-CB 3.38Å; E68-A72 PolarHBondContact O-N 2.95Å; N69-A72 PolarHBondContact O-N 2.97Å; L70-A72 VanDerWaalsContact C-N 3.31Å; L70-A72 PolarHBondContact O-N 2.98Å
73Q93.1Very high91.6Very high113 Ų11358.5 Ų58.553%0.52832%0.315SS..Hα-helixtrans-80.7-18.9175.8-67173.430.300112.9T16 N69 L70 A71T16-Q73 HydrophobicContact CG2-CB 3.74Å; T16-Q73 VanDerWaalsContact CG2-OE1 3.28Å; N69-Q73 WeakPolarHBondContact O-CG 3.47Å; N69-Q73 PolarHBondContact O-N 3.45Å; L70-Q73 PolarHBondContact O-N 3.26Å; A71-Q73 PolarHBondContact O-N 3.39Å
74L93.7Very high91.9Very high11 Ų1157.5 Ų57.56%0.05831%0.312CS..  trans-84.1130.6179.3-62.2170.6000110.3K12 L13 L70 A71 I83 F92K12-L74 HydrophobicContact CB-CD2 4.3Å; L13-L74 HydrophobicContact CD2-CD1 3.8Å; L13-L74 HydrophobicContact CD2-CD2 4.08Å; L70-L74 WeakPolarHBondContact O-CG 3.34Å; L70-L74 PolarHBondContact O-N 2.89Å; A71-L74 PolarHBondContact O-N 3.2Å; A71-L74 VanDerWaalsContact O-N 3.14Å; L74-I83 HydrophobicContact CB-CD1 3.52Å; L74-F92 HydrophobicContact CD1-CE1 3.98Å; L74-F92 HydrophobicContact CD1-CZ 4.17Å
75K92.2Very high92.1Very high167 Ų16756.4 Ų56.473%0.72631%0.31SS*.  trans-104.6135.7179.6-64.8-174.5179.5-176.70111.5K12K12-K75 PolarHBondContact NZ-O 3.38Å
76P93.7Very high92.2Very high76 Ų7655 Ų5549%0.49430%0.298SS..  trans-55.6155.4166.1-25.535.6000112.4V80P76-V80 CarbonylContact C-O 3.54Å; P76-V80 WeakPolarHBondContact CA-O 3.31Å; P76-V80 VanDerWaalsContact CB-O 3.31Å; P76-V80 WeakPolarHBondContact CB-O 3.3Å
77D94.1Very high92Very high71 Ų7161.5 Ų61.538%0.3833%0.329SS..  trans-151.6-166.5173.669.4-2.2000111.5K12 V79 V80K12-D77 VanDerWaalsContact CE-OD1 3.29Å; K12-D77 WeakPolarHBondContact CE-OD1 3.36Å; K12-D77 WeakPolarHBondContact CE-OD2 3.31Å; K12-D77 IonicContact NZ-OD1 3.75Å; K12-D77 PolarHBondContact NZ-OD1 3.36Å; K12-D77 IonicContact NZ-OD2 3.49Å; K12-D77 PolarHBondContact NZ-OD2 2.86Å; D77-V79 PolarHBondContact O-N 3.37Å; D77-V79 VanDerWaalsContact O-N 3.1Å; D77-V79 WeakPolarHBondContact OD1-CA 3.32Å; D77-V79 PolarHBondContact OD1-N 3.14Å; D77-V80 PolarHBondContact N-O 3.35Å; D77-V80 CarbonylContact O-C 3.56Å; D77-V80 VanDerWaalsContact O-O 3.05Å; D77-V80 PolarHBondContact OD1-N 3.23Å
78S93.3Very high91.7Very high100 Ų10062 Ų6270%0.69933%0.333SS*.SBendtrans-58.6-18.2176.961.60000115.2
79V94.9Very high91.7Very high8 Ų861.1 Ų61.15%0.04833%0.326CS..SBendtrans-101.9-45.7-179.1-178.30000110.8F5 K8 D77 L94 N95 L98F5-V79 HydrophobicContact CD1-CG1 3.74Å; F5-V79 HydrophobicContact CE1-CG1 4.11Å; K8-V79 HydrophobicContact CB-CG1 3.98Å; K8-V79 HydrophobicContact CB-CG2 4.5Å; K8-V79 HydrophobicContact CG-CG1 4.32Å; K8-V79 HydrophobicContact CG-CG2 4.25Å; D77-V79 PolarHBondContact O-N 3.37Å; D77-V79 VanDerWaalsContact O-N 3.1Å; D77-V79 WeakPolarHBondContact OD1-CA 3.32Å; D77-V79 PolarHBondContact OD1-N 3.14Å; V79-L94 HydrophobicContact CG1-CD2 4.23Å; V79-L94 CarbonylContact O-C 3.53Å; V79-L94 VanDerWaalsContact O-CA 3.28Å; V79-L94 WeakPolarHBondContact O-CA 3.42Å; V79-N95 PolarHBondContact O-N 3.39Å; V79-L98 HydrophobicContact CB-CD2 4.34Å; V79-L98 HydrophobicContact CG1-CD2 4.33Å; V79-L98 HydrophobicContact CG2-CD2 3.94Å
80V95.6Very high91.9Very high0 Ų057 Ų570%030%0.304CS..EExtended strand (participates in β ladder)trans-107.6108.5-179.2-179.10000109.1I9 K12 P76 D77 I83 F92 K93 L94I9-V80 HydrophobicContact CG1-CG2 3.92Å; K12-V80 HydrophobicContact CD-CG2 4.22Å; P76-V80 CarbonylContact C-O 3.54Å; P76-V80 WeakPolarHBondContact CA-O 3.31Å; P76-V80 VanDerWaalsContact CB-O 3.31Å; P76-V80 WeakPolarHBondContact CB-O 3.3Å; D77-V80 PolarHBondContact N-O 3.35Å; D77-V80 CarbonylContact O-C 3.56Å; D77-V80 VanDerWaalsContact O-O 3.05Å; D77-V80 PolarHBondContact OD1-N 3.23Å; V80-I83 HydrophobicContact CG1-CD1 4.16Å; V80-I83 HydrophobicContact CG1-CG1 3.65Å; V80-F92 HydrophobicContact CG1-CB 4.29Å; V80-F92 HydrophobicContact CG1-CD1 4.14Å; V80-K93 CarbonylContact C-O 3.5Å; V80-K93 WeakPolarHBondContact CA-O 3.24Å; V80-L94 HydrophobicContact CG2-CD2 4.16Å
81E93.8Very high92Very high81 Ų8158.1 Ų58.138%0.37931%0.308SS..EExtended strand (participates in β ladder)trans-78.9-35.9-178.8-69.9-178.2166.900112.9K93 N95E81-K93 PolarHBondContact N-O 2.89Å; E81-N95 VanDerWaalsContact CD-CA 3.48Å; E81-N95 HydrophobicContact CG-CB 4.01Å; E81-N95 VanDerWaalsContact OE1-CA 3.27Å; E81-N95 WeakPolarHBondContact OE1-CA 3.23Å; E81-N95 PolarHBondContact OE1-ND2 3.27Å
82E93.8Very high92.1Very high57 Ų5757.6 Ų57.627%0.26630%0.304SS..EExtended strand (participates in β ladder)trans-143.7139.3-174.2-164.9-172.8150.500110.3K93E82-K93 HydrophobicContact CB-CB 3.81Å; E82-K93 HydrophobicContact CB-CD 4.06Å; E82-K93 PolarHBondContact N-O 2.82Å; E82-K93 PolarHBondContact O-N 3.45Å; E82-K93 WeakPolarHBondContact OE2-CD 3.28Å; E82-K93 IonicContact OE2-NZ 3.76Å; E82-K93 PolarHBondContact OE2-NZ 2.89Å
83I94.6Very high92.2Very high32 Ų3256 Ų5616%0.16428%0.281CS..EExtended strand (participates in β ladder)trans-123.4125.8173.8-55.2179.9000106.7A71 L74 V80 I90 Y91 F92A71-I83 HydrophobicContact CB-CG2 4.41Å; L74-I83 HydrophobicContact CB-CD1 3.52Å; V80-I83 HydrophobicContact CG1-CD1 4.16Å; V80-I83 HydrophobicContact CG1-CG1 3.65Å; I83-I90 HydrophobicContact CG2-CG2 3.77Å; I83-Y91 WeakPolarHBondContact CA-O 3.46Å; I83-F92 HydrophobicContact CD1-CD1 4.32Å; I83-F92 HydrophobicContact CD1-CE1 4.29Å; I83-F92 HydrophobicContact CG1-CD1 4.08Å; I83-F92 HydrophobicContact CG1-CE1 4.43Å; I83-F92 HydrophobicContact CG2-CD1 4.41Å; I83-F92 HydrophobicContact CG2-CE1 4.26Å
84S92.3Very high92.3Very high24 Ų2450.7 Ų50.717%0.16826%0.256CS..EExtended strand (participates in β ladder)trans-136.7154.5179.465.20000111.6Y91S84-Y91 PolarHBondContact N-O 3.24Å; S84-Y91 PolarHBondContact O-N 2.85Å
85V91Very high92.3Very high43 Ų4352.2 Ų52.226%0.26126%0.264SS..EExtended strand (participates in β ladder)trans-110.9131.6176.2176.50000109.5T67 E68 A71 W89 I90T67-V85 HydrophobicContact CG2-CB 4.47Å; T67-V85 HydrophobicContact CG2-CG1 3.55Å; T67-V85 HydrophobicContact CG2-CG2 4.08Å; E68-V85 HydrophobicContact CG-CG1 4.19Å; A71-V85 HydrophobicContact CB-CG2 3.25Å; V85-W89 VanDerWaalsContact CA-O 3.31Å; V85-W89 WeakPolarHBondContact CA-O 3.22Å; V85-I90 HydrophobicContact CG2-CG1 4.5Å
86R87.3Confident92.3Very high59 Ų5945.9 Ų45.922%0.22324%0.236CC..EExtended strand (participates in β ladder)trans-146.2130.8172.7-43.8174.6-166.8-143.5-8.6110.1Q40 G88 W89 Y91Q40-R86 VanDerWaalsContact CB-NH2 3.29Å; R86-G88 VanDerWaalsContact C-N 3.25Å; R86-G88 PolarHBondContact O-N 2.87Å; R86-W89 PolarHBondContact N-O 3.4Å; R86-W89 PolarHBondContact O-N 3.05Å; R86-Y91 HydrophobicContact CB-CD2 4.12Å; R86-Y91 HydrophobicContact CB-CE2 3.69Å; R86-Y91 HydrophobicContact CG-CD2 4.03Å; R86-Y91 HydrophobicContact CG-CE2 4.07Å
87Q83.2Confident92.2Very high171 Ų17144 Ų4480%0.79922%0.224SC*.THydrogen-bonded Turntrans51.541.3174.3-58.3179.3-24.300113.1W89Q87-W89 VanDerWaalsContact C-N 3.31Å; Q87-W89 VanDerWaalsContact O-CD1 3.31Å; Q87-W89 PolarHBondContact O-N 3.41Å
88G84.3Confident92.2Very high9 Ų942.1 Ų42.19%0.09321%0.214CC..THydrogen-bonded Turntrans74.69.8-177.900000116P48 Q64 R86P48-G88 WeakPolarHBondContact CD-O 3.41Å; Q64-G88 VanDerWaalsContact OE1-N 3.12Å; R86-G88 VanDerWaalsContact C-N 3.25Å; R86-G88 PolarHBondContact O-N 2.87Å
89W89.8Confident92.2Very high73 Ų7337.4 Ų37.428%0.27718%0.181SC..EExtended strand (participates in β ladder)trans-110.3143.7174.2-69.377.4000111.3R45 V85 R86 Q87 Y91R45-W89 HydrophobicContact CB-CE3 3.98Å; R45-W89 HydrophobicContact CG-CE3 3.8Å; R45-W89 HydrophobicContact CG-CZ3 3.93Å; V85-W89 VanDerWaalsContact CA-O 3.31Å; V85-W89 WeakPolarHBondContact CA-O 3.22Å; R86-W89 PolarHBondContact N-O 3.4Å; R86-W89 PolarHBondContact O-N 3.05Å; Q87-W89 VanDerWaalsContact C-N 3.31Å; Q87-W89 VanDerWaalsContact O-CD1 3.31Å; Q87-W89 PolarHBondContact O-N 3.41Å; W89-Y91 HydrophobicContact CB-CD2 4.12Å; W89-Y91 HydrophobicContact CB-CE2 3.46Å; W89-Y91 VanDerWaalsContact CB-CE2 3.46Å; W89-Y91 HydrophobicContact CG-CE2 4.45Å
90I93.3Very high92.1Very high0 Ų037 Ų370%018%0.179CC..EExtended strand (participates in β ladder)trans-92.6127.1167.1-51.8-176.6000108R45 M46 P48 T67 L70 A71 I83 V85 F92R45-I90 CarbonylContact C-O 3.5Å; R45-I90 WeakPolarHBondContact CA-O 3.47Å; M46-I90 HydrophobicContact CE-CD1 3.98Å; M46-I90 PolarHBondContact N-O 3.01Å; M46-I90 PolarHBondContact O-N 3.44Å; P48-I90 HydrophobicContact CG-CD1 4.17Å; P48-I90 HydrophobicContact CG-CG1 4.13Å; T67-I90 HydrophobicContact CG2-CD1 4.38Å; T67-I90 HydrophobicContact CG2-CG1 3.69Å; L70-I90 HydrophobicContact CB-CD1 4.18Å; L70-I90 HydrophobicContact CD2-CD1 3.83Å; L70-I90 HydrophobicContact CG-CD1 3.86Å; A71-I90 HydrophobicContact CB-CD1 4.21Å; A71-I90 HydrophobicContact CB-CG1 4.38Å; A71-I90 HydrophobicContact CB-CG2 4.34Å; I83-I90 HydrophobicContact CG2-CG2 3.77Å; V85-I90 HydrophobicContact CG2-CG1 4.5Å; I90-F92 HydrophobicContact CB-CE2 4.27Å; I90-F92 HydrophobicContact CB-CZ 4.26Å; I90-F92 HydrophobicContact CG2-CE1 3.98Å; I90-F92 HydrophobicContact CG2-CE2 3.87Å; I90-F92 HydrophobicContact CG2-CZ 3.52Å
91Y93.8Very high92Very high28 Ų2840.9 Ų40.911%0.1120%0.197CC..EExtended strand (participates in β ladder)trans-112.7135.6-179.1-72.8-84.8000110.4A42 F44 R45 I83 S84 R86 W89A42-Y91 HydrophobicContact CB-CD1 3.71Å; A42-Y91 HydrophobicContact CB-CG 4.05Å; F44-Y91 WeakPolarHBondContact O-CA 3.41Å; R45-Y91 HydrophobicContact CB-CD1 3.74Å; R45-Y91 HydrophobicContact CB-CE1 3.8Å; R45-Y91 HydrophobicContact CB-CG 4.46Å; I83-Y91 WeakPolarHBondContact CA-O 3.46Å; S84-Y91 PolarHBondContact N-O 3.24Å; S84-Y91 PolarHBondContact O-N 2.85Å; R86-Y91 HydrophobicContact CB-CD2 4.12Å; R86-Y91 HydrophobicContact CB-CE2 3.69Å; R86-Y91 HydrophobicContact CG-CD2 4.03Å; R86-Y91 HydrophobicContact CG-CE2 4.07Å; W89-Y91 HydrophobicContact CB-CD2 4.12Å; W89-Y91 HydrophobicContact CB-CE2 3.46Å; W89-Y91 VanDerWaalsContact CB-CE2 3.46Å; W89-Y91 HydrophobicContact CG-CE2 4.45Å
92F94.9Very high91.9Very high1 Ų139.4 Ų39.40%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-117.9120.7-179.4-54.6-86.9000109.4I9 L28 D43 F44 M46 L74 V80 I83 I90I9-F92 HydrophobicContact CD1-CB 3.9Å; I9-F92 HydrophobicContact CD1-CD2 4.28Å; I9-F92 HydrophobicContact CD1-CG 4.03Å; I9-F92 HydrophobicContact CG1-CD1 4.49Å; I9-F92 HydrophobicContact CG1-CG 4.37Å; I9-F92 HydrophobicContact CG2-CD1 3.92Å; I9-F92 HydrophobicContact CG2-CD2 3.97Å; I9-F92 HydrophobicContact CG2-CE1 3.72Å; I9-F92 HydrophobicContact CG2-CE2 3.78Å; I9-F92 HydrophobicContact CG2-CG 4.04Å; I9-F92 HydrophobicContact CG2-CZ 3.64Å; L28-F92 HydrophobicContact CD2-CD2 4.31Å; L28-F92 HydrophobicContact CD2-CE2 3.9Å; D43-F92 PolarHBondContact N-O 3.27Å; F44-F92 HydrophobicContact CB-CB 4.18Å; F44-F92 HydrophobicContact CB-CD2 4.24Å; F44-F92 PolarHBondContact N-O 3.46Å; F44-F92 VanDerWaalsContact N-O 3.12Å; F44-F92 PolarHBondContact O-N 3Å; M46-F92 HydrophobicContact CB-CE2 4.19Å; L74-F92 HydrophobicContact CD1-CE1 3.98Å; L74-F92 HydrophobicContact CD1-CZ 4.17Å; V80-F92 HydrophobicContact CG1-CB 4.29Å; V80-F92 HydrophobicContact CG1-CD1 4.14Å; I83-F92 HydrophobicContact CD1-CD1 4.32Å; I83-F92 HydrophobicContact CD1-CE1 4.29Å; I83-F92 HydrophobicContact CG1-CD1 4.08Å; I83-F92 HydrophobicContact CG1-CE1 4.43Å; I83-F92 HydrophobicContact CG2-CD1 4.41Å; I83-F92 HydrophobicContact CG2-CE1 4.26Å; I90-F92 HydrophobicContact CB-CE2 4.27Å; I90-F92 HydrophobicContact CB-CZ 4.26Å; I90-F92 HydrophobicContact CG2-CE1 3.98Å; I90-F92 HydrophobicContact CG2-CE2 3.87Å; I90-F92 HydrophobicContact CG2-CZ 3.52Å
93K94.3Very high91.8Very high53 Ų5336.8 Ų36.823%0.2318%0.177CC..EExtended strand (participates in β ladder)trans-98.2124.1171.1-172.3179.8167-171.90109D43 V80 E81 E82D43-K93 WeakPolarHBondContact OD2-CA 3.34Å; V80-K93 CarbonylContact C-O 3.5Å; V80-K93 WeakPolarHBondContact CA-O 3.24Å; E81-K93 PolarHBondContact N-O 2.89Å; E82-K93 HydrophobicContact CB-CB 3.81Å; E82-K93 HydrophobicContact CB-CD 4.06Å; E82-K93 PolarHBondContact N-O 2.82Å; E82-K93 PolarHBondContact O-N 3.45Å; E82-K93 WeakPolarHBondContact OE2-CD 3.28Å; E82-K93 IonicContact OE2-NZ 3.76Å; E82-K93 PolarHBondContact OE2-NZ 2.89Å
94L94.3Very high91.6Very high0 Ų035.2 Ų35.20%017%0.169CC..EExtended strand (participates in β ladder)trans-88.6154.6-178.3-60177.3000111.8F5 I9 D43 F44 V79 V80 R96 L99F5-L94 HydrophobicContact CB-CD1 3.85Å; F5-L94 HydrophobicContact CB-CD2 4.37Å; F5-L94 HydrophobicContact CD1-CD1 3.55Å; F5-L94 HydrophobicContact CD1-CD2 3.86Å; F5-L94 HydrophobicContact CD1-CG 4.23Å; F5-L94 HydrophobicContact CD2-CD1 4.05Å; F5-L94 HydrophobicContact CE1-CD1 4.1Å; F5-L94 HydrophobicContact CG-CD1 3.53Å; F5-L94 HydrophobicContact CG-CD2 4.39Å; I9-L94 HydrophobicContact CD1-CD2 4.28Å; D43-L94 HydrophobicContact CB-CB 4.45Å; D43-L94 HydrophobicContact CB-CD1 3.83Å; D43-L94 HydrophobicContact CB-CG 3.89Å; D43-L94 PolarHBondContact OD2-N 2.93Å; F44-L94 HydrophobicContact CD2-CD1 3.8Å; F44-L94 HydrophobicContact CD2-CG 4.33Å; F44-L94 HydrophobicContact CE2-CD1 3.75Å; V79-L94 HydrophobicContact CG1-CD2 4.23Å; V79-L94 CarbonylContact O-C 3.53Å; V79-L94 VanDerWaalsContact O-CA 3.28Å; V79-L94 WeakPolarHBondContact O-CA 3.42Å; V80-L94 HydrophobicContact CG2-CD2 4.16Å; L94-R96 PolarHBondContact O-N 3.45Å; L94-R96 PolarHBondContact O-NH1 3.38Å; L94-L99 HydrophobicContact CD1-CD1 4.25Å
95N93.8Very high91.4Very high43 Ų4339.7 Ų39.723%0.2319%0.187CC..PPolyproline II helixtrans-57.6120.2168-179.2-79.2000110.8V79 E81 S97 L98 L99V79-N95 PolarHBondContact O-N 3.39Å; E81-N95 VanDerWaalsContact CD-CA 3.48Å; E81-N95 HydrophobicContact CG-CB 4.01Å; E81-N95 VanDerWaalsContact OE1-CA 3.27Å; E81-N95 WeakPolarHBondContact OE1-CA 3.23Å; E81-N95 PolarHBondContact OE1-ND2 3.27Å; N95-S97 PolarHBondContact O-N 2.87Å; N95-S97 PolarHBondContact OD1-N 3.4Å; N95-L98 HydrophobicContact CB-CB 4.01Å; N95-L98 PolarHBondContact O-N 2.86Å; N95-L98 WeakPolarHBondContact OD1-CB 3.41Å; N95-L98 PolarHBondContact OD1-N 3.35Å; N95-L99 WeakPolarHBondContact O-CB 3.42Å; N95-L99 PolarHBondContact O-N 2.92Å
96R91.8Very high91.2Very high35 Ų3539.2 Ų39.213%0.13219%0.185CC..Hα-helixtrans-65.3-40.8-170.3-68.6-69.2179.3-108.717.1113S41 D43 L94 L99 A100S41-R96 PolarHBondContact O-NH2 3.39Å; D43-R96 VanDerWaalsContact CG-NH1 3.25Å; D43-R96 IonicContact OD1-CZ 2.74Å; D43-R96 IonicContact OD1-NH1 2.64Å; D43-R96 PolarHBondContact OD1-NH1 3.17Å; D43-R96 IonicContact OD1-NH2 3.17Å; D43-R96 IonicContact OD2-CZ 3.55Å; D43-R96 IonicContact OD2-NH1 2.88Å; D43-R96 PolarHBondContact OD2-NH1 2.92Å; D43-R96 IonicContact OD2-NH2 3.57Å; L94-R96 PolarHBondContact O-N 3.45Å; L94-R96 PolarHBondContact O-NH1 3.38Å; R96-L99 PolarHBondContact O-N 3.39Å; R96-A100 WeakPolarHBondContact O-CB 3.48Å; R96-A100 PolarHBondContact O-N 3.13Å
97S92.6Very high91.2Very high36 Ų3636.5 Ų36.525%0.25218%0.175SC..Hα-helixtrans-67.5-45.5178.3-63.60000110.5N95 L99 A100 E101 P490 S491N95-S97 PolarHBondContact O-N 2.87Å; N95-S97 PolarHBondContact OD1-N 3.4Å; S97-L99 VanDerWaalsContact C-N 3.33Å; S97-L99 PolarHBondContact O-N 3.34Å; S97-A100 PolarHBondContact O-N 2.87Å; S97-E101 WeakPolarHBondContact O-CB 3.4Å; S97-E101 PolarHBondContact O-N 3.4Å; S97-P490 VanDerWaalsContact O-CB 3.28Å; S97-P490 WeakPolarHBondContact O-CB 3.27Å; S97-S491 WeakPolarHBondContact OG-CA 3.41Å
98L93.7Very high90.6Very high32 Ų3229.2 Ų29.217%0.16815%0.146CC..Hα-helixtrans-63.8-38.6176.8-174.563.6000112.2F4 F5 V79 N95 E101 K102F4-L98 HydrophobicContact CE1-CD2 4.29Å; F5-L98 HydrophobicContact CE1-CD2 4.17Å; F5-L98 HydrophobicContact CE1-CG 4.1Å; F5-L98 HydrophobicContact CZ-CG 4.31Å; V79-L98 HydrophobicContact CB-CD2 4.34Å; V79-L98 HydrophobicContact CG1-CD2 4.33Å; V79-L98 HydrophobicContact CG2-CD2 3.94Å; N95-L98 HydrophobicContact CB-CB 4.01Å; N95-L98 PolarHBondContact O-N 2.86Å; N95-L98 WeakPolarHBondContact OD1-CB 3.41Å; N95-L98 PolarHBondContact OD1-N 3.35Å; L98-E101 PolarHBondContact O-N 3.07Å; L98-K102 HydrophobicContact CD1-CG 3.97Å; L98-K102 HydrophobicContact CG-CG 4.36Å; L98-K102 WeakPolarHBondContact O-CB 3.42Å; L98-K102 WeakPolarHBondContact O-CG 3.47Å; L98-K102 PolarHBondContact O-N 2.87Å
99L93.4Very high89.7Confident0 Ų039.2 Ų39.20%019%0.187CC..Hα-helixtrans-58.7-53.3173.8173.559.7000111F5 L94 N95 R96 S97 E101 L103 L502 L506F5-L99 HydrophobicContact CD2-CD1 4.32Å; F5-L99 HydrophobicContact CE2-CD1 3.82Å; F5-L99 HydrophobicContact CZ-CB 4.34Å; F5-L99 HydrophobicContact CZ-CD1 4.26Å; L94-L99 HydrophobicContact CD1-CD1 4.25Å; N95-L99 WeakPolarHBondContact O-CB 3.42Å; N95-L99 PolarHBondContact O-N 2.92Å; R96-L99 PolarHBondContact O-N 3.39Å; S97-L99 VanDerWaalsContact C-N 3.33Å; S97-L99 PolarHBondContact O-N 3.34Å; L99-E101 PolarHBondContact O-N 3.02Å; L99-L103 HydrophobicContact CD1-CB 4.44Å; L99-L103 HydrophobicContact CD1-CD2 4.3Å; L99-L103 WeakPolarHBondContact O-CB 3.46Å; L99-L103 PolarHBondContact O-N 2.88Å; L99-L502 HydrophobicContact CD2-CB 4.29Å; L99-L502 HydrophobicContact CG-CB 4.47Å; L99-L506 HydrophobicContact CD1-CD1 3.8Å; L99-L506 HydrophobicContact CD1-CD2 3.94Å; L99-L506 HydrophobicContact CD1-CG 4.06Å; L99-L506 HydrophobicContact CD2-CD1 4.5Å
100A93.5Very high88.7Confident0 Ų037.3 Ų37.30%019%0.19CC..Hα-helixtrans-59.6-46.8178.500000111.3R96 S97 L104 P490 L493 L502R96-A100 WeakPolarHBondContact O-CB 3.48Å; R96-A100 PolarHBondContact O-N 3.13Å; S97-A100 PolarHBondContact O-N 2.87Å; A100-L104 WeakPolarHBondContact O-CB 3.47Å; A100-L104 WeakPolarHBondContact O-CG 3.3Å; A100-L104 PolarHBondContact O-N 2.77Å; A100-P490 HydrophobicContact CB-CB 3.9Å; A100-L493 HydrophobicContact CB-CB 4.37Å; A100-L493 HydrophobicContact CB-CD1 4.18Å; A100-L502 HydrophobicContact CB-CD1 3.86Å
101E92.2Very high87.7Confident82 Ų8241.1 Ų41.138%0.38321%0.208SC..Hα-helixtrans-56.1-60.6178.1-172.7-166152.900111.2S97 L98 L99 L103 L104 E105 P490S97-E101 WeakPolarHBondContact O-CB 3.4Å; S97-E101 PolarHBondContact O-N 3.4Å; L98-E101 PolarHBondContact O-N 3.07Å; L99-E101 PolarHBondContact O-N 3.02Å; E101-L103 PolarHBondContact O-N 2.99Å; E101-L104 PolarHBondContact O-N 2.94Å; E101-E105 WeakPolarHBondContact O-CB 3.48Å; E101-E105 PolarHBondContact O-N 3.34Å; E101-P490 HydrophobicContact CB-CB 4.12Å; E101-P490 HydrophobicContact CB-CG 4.16Å
102K91.8Very high87.1Confident50 Ų5041.6 Ų41.622%0.21721%0.212CC..Hα-helixtrans-65-40.8-175-68.2-56.6-179.8-157.10112.5M1 F4 F5 L98 L104 E105M1-K102 WeakPolarHBondContact CG-O 3.3Å; F4-K102 HydrophobicContact CD1-CG 4.22Å; F4-K102 HydrophobicContact CE1-CG 4.28Å; F5-K102 HydrophobicContact CE2-CB 3.89Å; F5-K102 HydrophobicContact CZ-CB 3.82Å; F5-K102 HydrophobicContact CZ-CG 4.08Å; L98-K102 HydrophobicContact CD1-CG 3.97Å; L98-K102 HydrophobicContact CG-CG 4.36Å; L98-K102 WeakPolarHBondContact O-CB 3.42Å; L98-K102 WeakPolarHBondContact O-CG 3.47Å; L98-K102 PolarHBondContact O-N 2.87Å; K102-L104 VanDerWaalsContact C-N 3.31Å; K102-L104 PolarHBondContact O-N 3.22Å; K102-E105 IonicContact NZ-OE2 3.7Å
103L91.8Very high86.4Confident1 Ų145 Ų451%0.00523%0.231CC..Hα-helixtrans-71.7-29.6-176.6-165.164.6000112.6M1 L99 E101 F115 L502 L505 L506M1-L103 HydrophobicContact CB-CD1 4.16Å; M1-L103 HydrophobicContact SD-CD1 4.5Å; L99-L103 HydrophobicContact CD1-CB 4.44Å; L99-L103 HydrophobicContact CD1-CD2 4.3Å; L99-L103 WeakPolarHBondContact O-CB 3.46Å; L99-L103 PolarHBondContact O-N 2.88Å; E101-L103 PolarHBondContact O-N 2.99Å; L103-F115 HydrophobicContact CD1-CE2 3.82Å; L103-F115 HydrophobicContact CD1-CZ 3.62Å; L103-F115 HydrophobicContact CG-CE2 4.36Å; L103-F115 HydrophobicContact CG-CZ 4.28Å; L103-L502 HydrophobicContact CD2-CB 4.09Å; L103-L502 HydrophobicContact CD2-CD2 3.86Å; L103-L502 WeakPolarHBondContact CD2-O 3.44Å; L103-L505 HydrophobicContact CD2-CB 3.95Å; L103-L506 HydrophobicContact CD1-CD2 3.9Å; L103-L506 HydrophobicContact CD2-CD2 4.4Å; L103-L506 HydrophobicContact CD2-CG 4.27Å
104L91.4Very high85.9Confident0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-100.3-15-174.9-60.2-179.6000114.3A100 E101 K102 P106 F107 F488 L493 L502 R557 L558 A561A100-L104 WeakPolarHBondContact O-CB 3.47Å; A100-L104 WeakPolarHBondContact O-CG 3.3Å; A100-L104 PolarHBondContact O-N 2.77Å; E101-L104 PolarHBondContact O-N 2.94Å; K102-L104 VanDerWaalsContact C-N 3.31Å; K102-L104 PolarHBondContact O-N 3.22Å; L104-P106 VanDerWaalsContact C-N 3.34Å; L104-F107 PolarHBondContact O-N 3.14Å; L104-F488 HydrophobicContact CB-CE1 4.09Å; L104-F488 HydrophobicContact CB-CZ 3.75Å; L104-F488 HydrophobicContact CD1-CE2 3.99Å; L104-F488 HydrophobicContact CD1-CZ 3.93Å; L104-F488 HydrophobicContact CG-CZ 4.41Å; L104-L493 HydrophobicContact CD1-CD1 3.52Å; L104-L502 HydrophobicContact CD1-CD2 4.01Å; L104-L502 HydrophobicContact CD2-CD2 3.98Å; L104-L502 HydrophobicContact CG-CD2 3.9Å; L104-R557 HydrophobicContact CB-CG 3.6Å; L104-R557 HydrophobicContact CD1-CB 4.33Å; L104-R557 HydrophobicContact CD1-CG 3.87Å; L104-R557 HydrophobicContact CD2-CG 4.47Å; L104-R557 HydrophobicContact CG-CG 4.2Å; L104-L558 HydrophobicContact CD1-CB 4.37Å; L104-L558 HydrophobicContact CD1-CD1 4.44Å; L104-L558 HydrophobicContact CD2-CD1 4.29Å; L104-A561 HydrophobicContact CD2-CB 3.41Å; L104-A561 VanDerWaalsContact CD2-CB 3.41Å
105E88.1Confident85.7Confident117 Ų11747.5 Ų47.555%0.54725%0.246SC..G310 helixtrans-42.4-46.9176.1177.8176.3-161.500114.4E101 K102 F107 G108E101-E105 WeakPolarHBondContact O-CB 3.48Å; E101-E105 PolarHBondContact O-N 3.34Å; K102-E105 IonicContact NZ-OE2 3.7Å; E105-F107 PolarHBondContact O-N 3.03Å; E105-G108 PolarHBondContact O-N 3.49Å
106P86.8Confident85.5Confident34 Ų3446 Ų4622%0.22124%0.241CC..G310 helixtrans-70.9-16.8-177.3-1.711.1000114.6M1 L104 G108 N112M1-P106 HydrophobicContact CE-CB 4.17Å; M1-P106 HydrophobicContact CE-CG 3.08Å; M1-P106 HydrophobicContact CG-CG 4.32Å; M1-P106 WeakPolarHBondContact SD-CD 3.38Å; M1-P106 HydrophobicContact SD-CG 3.06Å; M1-P106 WeakPolarHBondContact SD-CG 3.26Å; L104-P106 VanDerWaalsContact C-N 3.34Å; P106-G108 PolarHBondContact O-N 2.8Å; P106-N112 WeakPolarHBondContact CB-ND2 3.1Å
107F85.7Confident85.3Confident2 Ų245.2 Ų45.21%0.00924%0.239CC..G310 helixtrans-88.510.3176.4-53-77.8000111.4L104 E105 K109 N112 F115 R557 A561 S564 V565L104-F107 PolarHBondContact O-N 3.14Å; E105-F107 PolarHBondContact O-N 3.03Å; F107-K109 VanDerWaalsContact C-N 3.28Å; F107-K109 PolarHBondContact O-N 3.3Å; F107-N112 HydrophobicContact CD1-CB 4.08Å; F107-N112 HydrophobicContact CE1-CB 3.91Å; F107-F115 HydrophobicContact CE1-CB 4.31Å; F107-F115 HydrophobicContact CE1-CD2 4.47Å; F107-F115 AromaticContact CE2-CD2 3.44Å; F107-F115 HydrophobicContact CE2-CD2 3.44Å; F107-F115 VanDerWaalsContact CE2-CD2 3.44Å; F107-F115 AromaticContact CE2-CE2 3.72Å; F107-F115 HydrophobicContact CE2-CE2 3.72Å; F107-F115 HydrophobicContact CE2-CG 4.18Å; F107-F115 HydrophobicContact CZ-CB 3.77Å; F107-F115 HydrophobicContact CZ-CD1 4.4Å; F107-F115 AromaticContact CZ-CD2 3.3Å; F107-F115 HydrophobicContact CZ-CD2 3.3Å; F107-F115 AromaticContact CZ-CE2 3.96Å; F107-F115 HydrophobicContact CZ-CE2 3.96Å; F107-F115 AromaticContact CZ-CG 3.57Å; F107-F115 HydrophobicContact CZ-CG 3.57Å; F107-R557 PolarHBondContact O-NH1 3.26Å; F107-A561 HydrophobicContact CB-CB 4.46Å; F107-A561 HydrophobicContact CD1-CB 4.26Å; F107-A561 HydrophobicContact CD2-CB 3.38Å; F107-A561 HydrophobicContact CE1-CB 4.34Å; F107-A561 HydrophobicContact CE2-CB 3.46Å; F107-A561 VanDerWaalsContact CE2-CB 3.46Å; F107-A561 HydrophobicContact CG-CB 3.77Å; F107-A561 HydrophobicContact CZ-CB 3.94Å; F107-S564 VanDerWaalsContact CE1-CB 3.47Å; F107-V565 HydrophobicContact CZ-CG2 4.18Å
108G71.2Confident85Confident18 Ų1849.4 Ų49.419%0.18626%0.259CS..G310 helixtrans-47.3-45.3167.200000113.8E105 P106 R557E105-G108 PolarHBondContact O-N 3.49Å; P106-G108 PolarHBondContact O-N 2.8Å; G108-R557 PolarHBondContact O-NH1 3.08Å
109K65.3Low84.7Confident218 Ų21848.2 Ų48.295%0.94825%0.253SS*.SBendtrans-114.68.5-164.2-62-178.5179179.60114.8F107F107-K109 VanDerWaalsContact C-N 3.28Å; F107-K109 PolarHBondContact O-N 3.3Å
110G69.4Low84.2Confident34 Ų3449.5 Ų49.535%0.35126%0.259SS..SBendtrans130.6-156.8-179.200000113.6
111E72.4Confident83.8Confident80 Ų8050.6 Ų50.637%0.37426%0.264SS..  trans-61.4141.5172.2-72.2-178.9-157.600110.4R563 R571E111-R563 IonicContact OE1-CZ 3.83Å; E111-R563 IonicContact OE1-NH1 3.47Å; E111-R563 PolarHBondContact OE1-NH1 3.3Å; E111-R563 IonicContact OE1-NH2 3.47Å; E111-R563 PolarHBondContact OE1-NH2 2.62Å; E111-R571 IonicContact OE2-NH2 3.1Å; E111-R571 PolarHBondContact OE2-NH2 2.66Å; E111-R571 VanDerWaalsContact OE2-NH2 3.13Å
112N80.3Confident83.5Confident38 Ų3847 Ų4720%0.20325%0.247CC..  trans-128.398.4171.6-171.1-21.6000109.5P106 F107 N114 F115P106-N112 WeakPolarHBondContact CB-ND2 3.1Å; F107-N112 HydrophobicContact CD1-CB 4.08Å; F107-N112 HydrophobicContact CE1-CB 3.91Å; N112-N114 PolarHBondContact O-N 3.18Å; N112-N114 WeakPolarHBondContact OD1-CA 3.44Å; N112-N114 WeakPolarHBondContact OD1-CB 3.17Å; N112-N114 PolarHBondContact OD1-N 3.17Å; N112-F115 PolarHBondContact O-N 3.5Å; N112-F115 PolarHBondContact OD1-N 3.25Å
113D80.3Confident83.1Confident73 Ų7351.3 Ų51.339%0.3927%0.268SS..THydrogen-bonded Turntrans-70.3-16179-66.9-28.4000112.7L117 S568 R571D113-L117 WeakPolarHBondContact O-CD1 3.34Å; D113-S568 PolarHBondContact O-OG 3.38Å; D113-R571 IonicContact OD1-CZ 3.06Å; D113-R571 IonicContact OD1-NH1 2.56Å; D113-R571 PolarHBondContact OD1-NH1 3.27Å; D113-R571 IonicContact OD2-NH1 2.71Å
114N84.6Confident82.3Confident94 Ų9456.5 Ų56.550%0.50330%0.3SS..THydrogen-bonded Turntrans-90.41.6-179.5-60.7-40000113.8N112 G116 L117N112-N114 PolarHBondContact O-N 3.18Å; N112-N114 WeakPolarHBondContact OD1-CA 3.44Å; N112-N114 WeakPolarHBondContact OD1-CB 3.17Å; N112-N114 PolarHBondContact OD1-N 3.17Å; N114-G116 PolarHBondContact O-N 3.39Å; N114-L117 PolarHBondContact O-N 3.46Å; N114-L117 VanDerWaalsContact O-N 3.14Å
115F90.1Very high81.8Confident10 Ų1058.5 Ų58.54%0.04431%0.31CS..THydrogen-bonded Turntrans-59.3129.7176.8-178.1-88000110.3M1 L103 F107 N112 L117 L505 Y508 V565M1-F115 HydrophobicContact CE-CD2 3.43Å; M1-F115 VanDerWaalsContact CE-CD2 3.43Å; M1-F115 HydrophobicContact CE-CE2 3.67Å; M1-F115 HydrophobicContact CE-CG 4.47Å; M1-F115 HydrophobicContact SD-CD2 3.94Å; M1-F115 HydrophobicContact SD-CE2 3.62Å; L103-F115 HydrophobicContact CD1-CE2 3.82Å; L103-F115 HydrophobicContact CD1-CZ 3.62Å; L103-F115 HydrophobicContact CG-CE2 4.36Å; L103-F115 HydrophobicContact CG-CZ 4.28Å; F107-F115 HydrophobicContact CE1-CB 4.31Å; F107-F115 HydrophobicContact CE1-CD2 4.47Å; F107-F115 AromaticContact CE2-CD2 3.44Å; F107-F115 HydrophobicContact CE2-CD2 3.44Å; F107-F115 VanDerWaalsContact CE2-CD2 3.44Å; F107-F115 AromaticContact CE2-CE2 3.72Å; F107-F115 HydrophobicContact CE2-CE2 3.72Å; F107-F115 HydrophobicContact CE2-CG 4.18Å; F107-F115 HydrophobicContact CZ-CB 3.77Å; F107-F115 HydrophobicContact CZ-CD1 4.4Å; F107-F115 AromaticContact CZ-CD2 3.3Å; F107-F115 HydrophobicContact CZ-CD2 3.3Å; F107-F115 AromaticContact CZ-CE2 3.96Å; F107-F115 HydrophobicContact CZ-CE2 3.96Å; F107-F115 AromaticContact CZ-CG 3.57Å; F107-F115 HydrophobicContact CZ-CG 3.57Å; N112-F115 PolarHBondContact O-N 3.5Å; N112-F115 PolarHBondContact OD1-N 3.25Å; F115-L117 PolarHBondContact O-N 3.16Å; F115-L117 VanDerWaalsContact O-N 3.16Å; F115-L505 HydrophobicContact CZ-CB 4.34Å; F115-Y508 AromaticContact CD1-CD1 3.66Å; F115-Y508 HydrophobicContact CD1-CD1 3.66Å; F115-Y508 HydrophobicContact CD1-CE1 4.36Å; F115-Y508 HydrophobicContact CD1-CG 4.45Å; F115-Y508 HydrophobicContact CE1-CD1 4.1Å; F115-Y508 HydrophobicContact CE1-CG 4.48Å; F115-Y508 WeakPolarHBondContact O-CD1 3.42Å; F115-Y508 WeakPolarHBondContact O-CE1 3.38Å; F115-V565 HydrophobicContact CB-CG2 4.35Å; F115-V565 HydrophobicContact CD1-CG2 3.36Å; F115-V565 HydrophobicContact CE1-CG2 3.8Å; F115-V565 HydrophobicContact CG-CG2 3.95Å
116G89.1Confident81.5Confident12 Ų1261.3 Ų61.312%0.12432%0.32CS..THydrogen-bonded Turntrans79-25-176.800000114.9N114 S119 F122 D509N114-G116 PolarHBondContact O-N 3.39Å; G116-S119 WeakPolarHBondContact O-CB 3.47Å; G116-F122 VanDerWaalsContact O-CE2 3.29Å; G116-F122 WeakPolarHBondContact O-CE2 3.46Å; G116-D509 VanDerWaalsContact O-CB 3.27Å; G116-D509 WeakPolarHBondContact O-CB 3.38Å
117L88.3Confident81.7Confident18 Ų1867.4 Ų67.49%0.09434%0.339CS..THydrogen-bonded Turntrans-73.9-28.4-179.8-63.3176.1000113.2D113 N114 F115 S119 F122 S163 L164 L512D113-L117 WeakPolarHBondContact O-CD1 3.34Å; N114-L117 PolarHBondContact O-N 3.46Å; N114-L117 VanDerWaalsContact O-N 3.14Å; F115-L117 PolarHBondContact O-N 3.16Å; F115-L117 VanDerWaalsContact O-N 3.16Å; L117-S119 VanDerWaalsContact C-N 3.31Å; L117-S119 PolarHBondContact O-N 3.3Å; L117-S119 VanDerWaalsContact O-N 3.16Å; L117-F122 VanDerWaalsContact O-CD2 3.32Å; L117-F122 WeakPolarHBondContact O-CD2 3.49Å; L117-S163 WeakPolarHBondContact CD1-O 3.49Å; L117-L164 HydrophobicContact CD2-CD2 3.94Å; L117-L512 HydrophobicContact CD2-CD1 3.64Å; L117-L512 HydrophobicContact CG-CD1 4.41Å
118N85.1Confident82.2Confident125 Ų12568 Ų6867%0.66835%0.346SS*.SBendtrans-87.971.5171-66-29.5000109.9
119S87.6Confident83.5Confident7 Ų768.4 Ų68.45%0.04935%0.345CS..  trans-126.2148.8179.3-172.60000112.3C3 G116 L117 F121 F122 D509C3-S119 VanDerWaalsContact SG-CA 3.55Å; C3-S119 PolarHBondContact SG-OG 3.3Å; G116-S119 WeakPolarHBondContact O-CB 3.47Å; L117-S119 VanDerWaalsContact C-N 3.31Å; L117-S119 PolarHBondContact O-N 3.3Å; L117-S119 VanDerWaalsContact O-N 3.16Å; S119-F121 PolarHBondContact O-N 3.38Å; S119-F122 WeakPolarHBondContact O-CB 3.26Å; S119-F122 PolarHBondContact O-N 2.99Å; S119-D509 WeakPolarHBondContact CB-OD2 3.31Å; S119-D509 PolarHBondContact OG-OD2 3.42Å
120E83.9Confident85.1Confident27 Ų2758.2 Ų58.213%0.12630%0.301CS..G310 helixtrans-62.3-26.1179.5-67.5164.815900112.4C3 R7 V25 F122 E123C3-E120 HydrophobicContact CB-CG 4.08Å; C3-E120 PolarHBondContact SG-N 2.85Å; C3-E120 VanDerWaalsContact SG-N 3.42Å; R7-E120 WeakPolarHBondContact CD-OE1 2.81Å; R7-E120 WeakPolarHBondContact CG-OE1 3.5Å; R7-E120 IonicContact CZ-OE1 2.69Å; R7-E120 IonicContact NE-OE1 3.57Å; R7-E120 PolarHBondContact NE-OE1 3.37Å; R7-E120 IonicContact NE-OE2 3.91Å; R7-E120 IonicContact NH2-OE1 3.7Å; V25-E120 HydrophobicContact CG1-CB 4.09Å; V25-E120 WeakPolarHBondContact CG1-OE2 3.45Å; E120-F122 PolarHBondContact O-N 2.82Å; E120-F122 VanDerWaalsContact O-N 3.1Å; E120-E123 PolarHBondContact O-N 3.2Å; E120-E123 VanDerWaalsContact O-N 3.13Å
121F83.9Confident86.5Confident22 Ų2256.6 Ų56.610%0.09628%0.284CS..G310 helixtrans-58-23.9171.8-68.2-58000112.9R6 S119 E510 Y513R6-F121 VanDerWaalsContact CZ-CE2 3.45Å; S119-F121 PolarHBondContact O-N 3.38Å; F121-E510 HydrophobicContact CD2-CG 4.31Å; F121-E510 HydrophobicContact CE2-CG 3.44Å; F121-E510 VanDerWaalsContact CE2-CG 3.44Å; F121-E510 HydrophobicContact CZ-CG 3.87Å; F121-Y513 HydrophobicContact CB-CD2 3.7Å; F121-Y513 HydrophobicContact CB-CE2 4.24Å; F121-Y513 HydrophobicContact CB-CG 3.85Å; F121-Y513 HydrophobicContact CD1-CD1 4.49Å; F121-Y513 HydrophobicContact CG-CG 4.31Å; F121-Y513 WeakPolarHBondContact O-CD2 3.4Å; F121-Y513 WeakPolarHBondContact O-CE2 3.42Å
122F87.3Confident87.7Confident7 Ų752.8 Ų52.83%0.03127%0.266CS..G310 helixtrans-98.9-6.7-178.3-51.6-57.7000113.5G116 L117 S119 E120 T124 L125 L164 D509 L512 Y513G116-F122 VanDerWaalsContact O-CE2 3.29Å; G116-F122 WeakPolarHBondContact O-CE2 3.46Å; L117-F122 VanDerWaalsContact O-CD2 3.32Å; L117-F122 WeakPolarHBondContact O-CD2 3.49Å; S119-F122 WeakPolarHBondContact O-CB 3.26Å; S119-F122 PolarHBondContact O-N 2.99Å; E120-F122 PolarHBondContact O-N 2.82Å; E120-F122 VanDerWaalsContact O-N 3.1Å; F122-T124 VanDerWaalsContact C-N 3.31Å; F122-T124 PolarHBondContact O-N 3.23Å; F122-L125 HydrophobicContact CB-CD1 4.46Å; F122-L125 HydrophobicContact CD1-CD1 3.62Å; F122-L125 HydrophobicContact CE1-CD1 4.42Å; F122-L125 PolarHBondContact O-N 3.14Å; F122-L164 HydrophobicContact CD1-CD1 4.46Å; F122-L164 HydrophobicContact CD1-CD2 3.57Å; F122-L164 HydrophobicContact CD2-CD2 4.18Å; F122-L164 HydrophobicContact CE1-CD1 4.26Å; F122-L164 HydrophobicContact CE1-CD2 3.39Å; F122-L164 HydrophobicContact CE1-CG 4.48Å; F122-L164 HydrophobicContact CE2-CD2 4.06Å; F122-L164 HydrophobicContact CG-CD2 3.95Å; F122-L164 HydrophobicContact CZ-CD2 3.67Å; F122-D509 HydrophobicContact CE2-CB 4.32Å; F122-D509 WeakPolarHBondContact CZ-O 3.48Å; F122-L512 HydrophobicContact CZ-CB 3.85Å; F122-Y513 HydrophobicContact CD1-CD2 4.09Å; F122-Y513 AromaticContact CE1-CD2 3.95Å; F122-Y513 HydrophobicContact CE1-CD2 3.95Å; F122-Y513 HydrophobicContact CE1-CG 4.38Å
123E81.7Confident88.6Confident141 Ų14151.4 Ų51.466%0.65926%0.259SS*.THydrogen-bonded Turntrans-68.2-32.8178.4-71.8178.3-179.900112E120 L125E120-E123 PolarHBondContact O-N 3.2Å; E120-E123 VanDerWaalsContact O-N 3.13Å; E123-L125 VanDerWaalsContact C-N 3.31Å
124T75.1Confident89.5Confident109 Ų10948 Ų4867%0.66924%0.24SC*.SBendtrans-80.9-12.917759.80000112.9F122 K126F122-T124 VanDerWaalsContact C-N 3.31Å; F122-T124 PolarHBondContact O-N 3.23Å; T124-K126 PolarHBondContact O-N 2.89Å
125L81.1Confident90Very high42 Ų4243.9 Ų43.922%0.2222%0.219CC..SBendtrans-75.2118.7178-64.2-172.7000109.8F122 E123 R127 L164 Y513F122-L125 HydrophobicContact CB-CD1 4.46Å; F122-L125 HydrophobicContact CD1-CD1 3.62Å; F122-L125 HydrophobicContact CE1-CD1 4.42Å; F122-L125 PolarHBondContact O-N 3.14Å; E123-L125 VanDerWaalsContact C-N 3.31Å; L125-R127 PolarHBondContact O-N 3.05Å; L125-R127 VanDerWaalsContact O-N 3.14Å; L125-L164 HydrophobicContact CD1-CD1 4.38Å; L125-Y513 HydrophobicContact CD2-CE2 4.2Å; L125-Y513 HydrophobicContact CG-CE2 4.47Å
126K82.6Confident90.2Very high176 Ų17644.9 Ų44.977%0.76523%0.227SC*.  trans-65.3114.9170.5-67.7-172179.4-176.70109.1T124T124-K126 PolarHBondContact O-N 2.89Å
127R91.9Very high90.3Very high162 Ų16244.4 Ų44.461%0.61122%0.222SC*.  trans-78.7142170.9-63.1-180-176.4166.63.1109.6L125 N166L125-R127 PolarHBondContact O-N 3.05Å; L125-R127 VanDerWaalsContact O-N 3.14Å; R127-N166 WeakPolarHBondContact CA-OD1 3.26Å
128G95.5Very high90.3Very high15 Ų1545.1 Ų45.116%0.15523%0.226CC..  trans-167.1-166.5-178.900000112.9N166 N167 D343G128-N166 PolarHBondContact N-OD1 3.07Å; G128-N166 VanDerWaalsContact N-OD1 3.14Å; G128-N167 PolarHBondContact O-N 3.32Å; G128-D343 WeakPolarHBondContact CA-OD2 3.46Å
129T98.3Very high90.1Very high27 Ų2739.6 Ų39.617%0.16620%0.196CC..EExtended strand (participates in β ladder)trans-88119.4171-62.80000109.7N167 I169 F342 D343 D344T129-N167 CarbonylContact C-O 3.5Å; T129-N167 VanDerWaalsContact CA-O 3.26Å; T129-N167 WeakPolarHBondContact CA-O 3.32Å; T129-N167 PolarHBondContact OG1-ND2 3.45Å; T129-N167 VanDerWaalsContact OG1-ND2 3.16Å; T129-I169 HydrophobicContact CG2-CD1 3.68Å; T129-I169 HydrophobicContact CG2-CG1 4.19Å; T129-F342 HydrophobicContact CG2-CB 4.39Å; T129-D343 PolarHBondContact N-OD2 3.19Å; T129-D343 PolarHBondContact O-N 3.49Å; T129-D344 PolarHBondContact O-N 2.96Å
130I98.4Very high89.3Confident3 Ų339.5 Ų39.52%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-113.7120.9-179.5-56.5-175.4000108.8V132 K161 N166 N167 V168 I169 D344 I346I130-V132 HydrophobicContact CG2-CG2 4.04Å; I130-K161 HydrophobicContact CD1-CB 4.06Å; I130-K161 HydrophobicContact CD1-CD 3.66Å; I130-K161 HydrophobicContact CD1-CG 3.92Å; I130-N166 HydrophobicContact CD1-CB 3.74Å; I130-N166 VanDerWaalsContact CD1-CG 3.41Å; I130-N166 HydrophobicContact CG1-CB 4.04Å; I130-N167 PolarHBondContact N-O 3.39Å; I130-V168 CarbonylContact O-C 3.49Å; I130-V168 WeakPolarHBondContact O-CA 2.98Å; I130-I169 PolarHBondContact O-N 2.85Å; I130-D344 WeakPolarHBondContact CA-O 3.16Å; I130-D344 HydrophobicContact CG1-CB 4.27Å; I130-D344 HydrophobicContact CG2-CB 4.34Å; I130-I346 HydrophobicContact CG2-CD1 4.08Å; I130-I346 HydrophobicContact CG2-CG1 4.44Å
131L98.7Very high88.8Confident0 Ų043 Ų430%021%0.21CC..EExtended strand (participates in β ladder)trans-96.4123.4174.5-167.2151.5000109.2E133 I169 M171 R336 Y340 F342 D344 M345 I346L131-E133 HydrophobicContact CD2-CB 4.49Å; L131-I169 WeakPolarHBondContact CA-O 3.5Å; L131-I169 HydrophobicContact CD1-CG2 4.42Å; L131-I169 HydrophobicContact CG-CB 4.33Å; L131-I169 HydrophobicContact CG-CG2 4.4Å; L131-M171 HydrophobicContact CD1-CE 3.85Å; L131-M171 HydrophobicContact CD2-CB 4.12Å; L131-M171 HydrophobicContact CD2-CE 4.45Å; L131-M171 HydrophobicContact CD2-SD 4.2Å; L131-R336 HydrophobicContact CD1-CB 4.48Å; L131-Y340 HydrophobicContact CD1-CD2 3.54Å; L131-Y340 HydrophobicContact CD1-CE2 4.05Å; L131-Y340 HydrophobicContact CD1-CG 4.1Å; L131-F342 HydrophobicContact CB-CB 4.3Å; L131-F342 HydrophobicContact CD1-CD1 4.46Å; L131-D344 PolarHBondContact N-O 3.23Å; L131-M345 HydrophobicContact CB-CG 4.41Å; L131-M345 HydrophobicContact CD2-CE 3.7Å; L131-M345 HydrophobicContact CD2-CG 4.05Å; L131-M345 HydrophobicContact CD2-SD 4.29Å; L131-M345 CarbonylContact O-C 3.59Å; L131-M345 WeakPolarHBondContact O-CA 3.35Å; L131-I346 PolarHBondContact O-N 3.39Å
132V98.8Very high88.3Confident0 Ų043 Ų430%021%0.211CC..EExtended strand (participates in β ladder)trans-114.6111.6178.4-170.80000108I130 F134 I157 A158 V168 I169 M171 I346 V348I130-V132 HydrophobicContact CG2-CG2 4.04Å; V132-F134 HydrophobicContact CB-CD1 4.41Å; V132-F134 HydrophobicContact CG1-CD1 3.91Å; V132-F134 WeakPolarHBondContact O-CD1 3.33Å; V132-I157 HydrophobicContact CG1-CG2 4.31Å; V132-I157 HydrophobicContact CG2-CG2 4.25Å; V132-A158 HydrophobicContact CG2-CB 4.4Å; V132-V168 HydrophobicContact CG2-CG1 4.14Å; V132-I169 PolarHBondContact N-O 3.17Å; V132-M171 PolarHBondContact O-N 3.09Å; V132-I346 WeakPolarHBondContact CA-O 3.25Å; V132-I346 HydrophobicContact CG1-CB 4.49Å; V132-V348 HydrophobicContact CG1-CG2 4.26Å
133E98.6Very high87.9Confident10 Ų1043 Ų435%0.04721%0.211CC..EExtended strand (participates in β ladder)trans-95.9121.5175-171.2-166.8130.900109.8L131 S136 M171 Y173 R336 I346 Y347 V348L131-E133 HydrophobicContact CD2-CB 4.49Å; E133-S136 PolarHBondContact OE1-OG 2.86Å; E133-M171 WeakPolarHBondContact CA-O 3.29Å; E133-Y173 WeakPolarHBondContact OE1-CB 3.34Å; E133-R336 IonicContact OE2-CZ 3.98Å; E133-R336 IonicContact OE2-NH1 2.94Å; E133-R336 PolarHBondContact OE2-NH1 3.16Å; E133-R336 IonicContact OE2-NH2 2.87Å; E133-R336 PolarHBondContact OE2-NH2 2.96Å; E133-R336 VanDerWaalsContact OE2-NH2 3.08Å; E133-I346 PolarHBondContact N-O 3.05Å; E133-Y347 HydrophobicContact CB-CD1 4.33Å; E133-Y347 WeakPolarHBondContact OE2-CD1 3.44Å; E133-Y347 WeakPolarHBondContact OE2-CE1 3.31Å; E133-V348 PolarHBondContact O-N 2.89Å
134F98.3Very high87.8Confident1 Ų139.7 Ų39.70%0.00420%0.195CC..  trans-156.2169-177.368-82.1000112.8V132 S136 T151 N155 R170 M171 I264 F266 V348V132-F134 HydrophobicContact CB-CD1 4.41Å; V132-F134 HydrophobicContact CG1-CD1 3.91Å; V132-F134 WeakPolarHBondContact O-CD1 3.33Å; F134-S136 PolarHBondContact O-N 2.72Å; F134-T151 WeakPolarHBondContact CD2-O 3.26Å; F134-T151 WeakPolarHBondContact CE2-O 3.42Å; F134-N155 HydrophobicContact CE2-CB 4.31Å; F134-R170 HydrophobicContact CE1-CB 3.9Å; F134-R170 HydrophobicContact CE1-CG 4.09Å; F134-R170 HydrophobicContact CZ-CB 4.35Å; F134-R170 HydrophobicContact CZ-CG 4.45Å; F134-M171 PolarHBondContact N-O 3.41Å; F134-M171 VanDerWaalsContact N-O 3.14Å; F134-I264 HydrophobicContact CE2-CG2 3.97Å; F134-I264 HydrophobicContact CZ-CG2 4.08Å; F134-F266 AromaticContact CD1-CE1 3.87Å; F134-F266 HydrophobicContact CD1-CE1 3.87Å; F134-F266 AromaticContact CD2-CE1 3.91Å; F134-F266 HydrophobicContact CD2-CE1 3.91Å; F134-F266 AromaticContact CD2-CZ 3.79Å; F134-F266 HydrophobicContact CD2-CZ 3.79Å; F134-F266 HydrophobicContact CE1-CD1 4.09Å; F134-F266 AromaticContact CE1-CE1 3.47Å; F134-F266 HydrophobicContact CE1-CE1 3.47Å; F134-F266 VanDerWaalsContact CE1-CE1 3.47Å; F134-F266 HydrophobicContact CE1-CZ 4.2Å; F134-F266 AromaticContact CE2-CE1 3.51Å; F134-F266 HydrophobicContact CE2-CE1 3.51Å; F134-F266 HydrophobicContact CE2-CE2 4.29Å; F134-F266 AromaticContact CE2-CZ 3.33Å; F134-F266 HydrophobicContact CE2-CZ 3.33Å; F134-F266 HydrophobicContact CG-CE1 4.08Å; F134-F266 HydrophobicContact CG-CZ 4.39Å; F134-F266 AromaticContact CZ-CD1 3.98Å; F134-F266 HydrophobicContact CZ-CD1 3.98Å; F134-F266 AromaticContact CZ-CE1 3.27Å; F134-F266 HydrophobicContact CZ-CE1 3.27Å; F134-F266 HydrophobicContact CZ-CE2 4.46Å; F134-F266 AromaticContact CZ-CZ 3.56Å; F134-F266 HydrophobicContact CZ-CZ 3.56Å; F134-V348 HydrophobicContact CB-CB 3.89Å; F134-V348 HydrophobicContact CB-CG2 4.2Å
135S96.3Very high87.6Confident7 Ų735 Ų355%0.04917%0.168CC..  trans66.4-63.2-169.3-156.40000113.4P137 S150 T151 Y259S135-P137 VanDerWaalsContact C-N 3.3Å; S135-P137 WeakPolarHBondContact O-CD 3.14Å; S135-S150 WeakPolarHBondContact CA-OG 3.44Å; S135-S150 PolarHBondContact N-OG 3.1Å; S135-T151 WeakPolarHBondContact CB-OG1 3.46Å; S135-T151 PolarHBondContact OG-OG1 3.43Å; S135-Y259 VanDerWaalsContact CB-OH 3.29Å; S135-Y259 WeakPolarHBondContact CB-OH 3.34Å; S135-Y259 WeakPolarHBondContact OG-CE1 3.37Å; S135-Y259 PolarHBondContact OG-OH 2.91Å
136S94.6Very high87.5Confident32 Ų3234.6 Ų34.622%0.22417%0.173CC..  trans37.149173.3-61.30000115E133 F134 N172 Y173E133-S136 PolarHBondContact OE1-OG 2.86Å; F134-S136 PolarHBondContact O-N 2.72Å; S136-N172 WeakPolarHBondContact CA-OD1 3.42Å; S136-N172 PolarHBondContact N-OD1 2.88Å; S136-Y173 WeakPolarHBondContact CA-O 3.08Å; S136-Y173 WeakPolarHBondContact CB-O 3.34Å; S136-Y173 PolarHBondContact OG-N 2.67Å; S136-Y173 PolarHBondContact OG-O 3.32Å
137P91.6Very high87.7Confident1 Ų127.9 Ų27.91%0.00615%0.145CC..  trans-69156.1-177.531.3-37.7000111.7S135 F143 N172 L174 G175 Y255S135-P137 VanDerWaalsContact C-N 3.3Å; S135-P137 WeakPolarHBondContact O-CD 3.14Å; P137-F143 HydrophobicContact CB-CD2 3.67Å; P137-F143 HydrophobicContact CB-CE2 3.95Å; P137-F143 HydrophobicContact CG-CD2 4.07Å; P137-F143 HydrophobicContact CG-CE2 4.01Å; P137-N172 WeakPolarHBondContact CD-OD1 3.36Å; P137-L174 HydrophobicContact CG-CD2 3.94Å; P137-G175 PolarHBondContact O-N 2.89Å; P137-Y255 HydrophobicContact CB-CE2 4.13Å; P137-Y255 HydrophobicContact CG-CD2 3.89Å; P137-Y255 HydrophobicContact CG-CE2 3.31Å
138N86.8Confident87.6Confident33 Ų3320.2 Ų20.218%0.17612%0.116CC..BIsolated β-bridgetrans-84.5121.3169.2-173.9-62.2000109.4A140 K141 G175 Q180N138-A140 PolarHBondContact O-N 2.84Å; N138-A140 WeakPolarHBondContact OD1-CA 3.17Å; N138-A140 WeakPolarHBondContact OD1-CB 3.47Å; N138-A140 PolarHBondContact OD1-N 3.16Å; N138-K141 HydrophobicContact CB-CB 4.25Å; N138-K141 HydrophobicContact CB-CD 4.39Å; N138-K141 HydrophobicContact CB-CG 4.33Å; N138-K141 PolarHBondContact O-N 2.88Å; N138-K141 VanDerWaalsContact O-O 3.13Å; N138-G175 PolarHBondContact ND2-O 3.34Å; N138-G175 PolarHBondContact OD1-O 2.97Å; N138-Q180 VanDerWaalsContact CG-OE1 3.22Å; N138-Q180 PolarHBondContact ND2-OE1 3.03Å; N138-Q180 PolarHBondContact OD1-OE1 3.3Å
139I82.4Confident87.6Confident9 Ų919.7 Ų19.75%0.04611%0.109CC..THydrogen-bonded Turntrans-72.1-15.5-172.361.5175.7000113.4K141 L174 G175 D176 F181 R248 T251 Y255I139-K141 VanDerWaalsContact C-N 3.33Å; I139-L174 HydrophobicContact CG2-CB 4.16Å; I139-L174 HydrophobicContact CG2-CD1 4.17Å; I139-L174 HydrophobicContact CG2-CD2 4.11Å; I139-L174 HydrophobicContact CG2-CG 4.38Å; I139-G175 PolarHBondContact N-O 3.48Å; I139-D176 HydrophobicContact CD1-CB 3.34Å; I139-D176 HydrophobicContact CG1-CB 3.98Å; I139-F181 HydrophobicContact CD1-CE1 4.26Å; I139-F181 HydrophobicContact CD1-CE2 3.41Å; I139-F181 VanDerWaalsContact CD1-CE2 3.41Å; I139-F181 HydrophobicContact CD1-CZ 3.11Å; I139-F181 HydrophobicContact CG1-CE2 3.22Å; I139-F181 HydrophobicContact CG1-CZ 3.29Å; I139-R248 HydrophobicContact CD1-CB 4.22Å; I139-R248 HydrophobicContact CD1-CG 4.29Å; I139-T251 HydrophobicContact CB-CG2 3.69Å; I139-T251 HydrophobicContact CG2-CG2 3.55Å; I139-Y255 HydrophobicContact CG2-CE2 3.99Å
140A70.4Confident87.5Confident6 Ų618.8 Ų18.85%0.0510%0.104CC..THydrogen-bonded Turntrans-86.8-4.3172.300000112.6N138 Q180 F181 L184 Y209N138-A140 PolarHBondContact O-N 2.84Å; N138-A140 WeakPolarHBondContact OD1-CA 3.17Å; N138-A140 WeakPolarHBondContact OD1-CB 3.47Å; N138-A140 PolarHBondContact OD1-N 3.16Å; A140-Q180 HydrophobicContact CB-CB 4.04Å; A140-F181 HydrophobicContact CB-CE2 4.44Å; A140-L184 HydrophobicContact CB-CD2 4.38Å; A140-Y209 HydrophobicContact CB-CD2 4.32Å; A140-Y209 HydrophobicContact CB-CE2 4.31Å; A140-Y209 WeakPolarHBondContact O-CD2 3.29Å
141K72.9Confident87.4Confident99 Ų9918.6 Ų18.643%0.4310%0.103SC..SBendtrans-116.6159.1179.5-66.4-173.1179-178.60111.7N138 I139 F143N138-K141 HydrophobicContact CB-CB 4.25Å; N138-K141 HydrophobicContact CB-CD 4.39Å; N138-K141 HydrophobicContact CB-CG 4.33Å; N138-K141 PolarHBondContact O-N 2.88Å; N138-K141 VanDerWaalsContact O-O 3.13Å; I139-K141 VanDerWaalsContact C-N 3.33Å; K141-F143 PolarHBondContact O-N 3.3Å
142K73.5Confident87.4Confident23 Ų2318.8 Ų18.810%0.110%0.104CC..  trans-60.9125.3176.5176.6157.3176.5158.20111H144 H147 F206 V393 F395K142-H144 HydrophobicContact CG-CB 4.18Å; K142-H144 PolarHBondContact O-CD2 3.23Å; K142-H144 PolarHBondContact O-N 3.09Å; K142-H147 PolarHBondContact O-CE1 3.33Å; K142-H147 VanDerWaalsContact O-CE1 3.29Å; K142-F206 HydrophobicContact CB-CD2 3.93Å; K142-F206 HydrophobicContact CB-CE2 3.81Å; K142-F206 HydrophobicContact CB-CZ 4.44Å; K142-F206 HydrophobicContact CD-CE1 4.42Å; K142-F206 HydrophobicContact CD-CE2 4.37Å; K142-F206 HydrophobicContact CD-CZ 4.17Å; K142-V393 HydrophobicContact CD-CG1 4.08Å; K142-V393 WeakPolarHBondContact CE-O 3.38Å; K142-V393 PolarHBondContact NZ-O 3.13Å; K142-F395 HydrophobicContact CB-CE1 4.21Å; K142-F395 HydrophobicContact CD-CD1 3.81Å; K142-F395 HydrophobicContact CD-CD2 4.22Å; K142-F395 HydrophobicContact CD-CE1 3.58Å; K142-F395 HydrophobicContact CD-CE2 3.97Å; K142-F395 HydrophobicContact CD-CG 4.1Å; K142-F395 HydrophobicContact CD-CZ 3.64Å; K142-F395 VanDerWaalsContact CE-CA 3.47Å; K142-F395 VanDerWaalsContact CE-CD1 3.47Å; K142-F395 HydrophobicContact CG-CD1 3.54Å; K142-F395 HydrophobicContact CG-CE1 3.44Å; K142-F395 VanDerWaalsContact CG-CE1 3.44Å; K142-F395 HydrophobicContact CG-CG 4.23Å; K142-F395 HydrophobicContact CG-CZ 4.04Å
143F79.4Confident87.3Confident8 Ų818.8 Ų18.84%0.03510%0.104CC..  trans-73.479.6169.5-169.2-133.5000109.8P137 K141 H147 Y255 V258 Y259 L396P137-F143 HydrophobicContact CB-CD2 3.67Å; P137-F143 HydrophobicContact CB-CE2 3.95Å; P137-F143 HydrophobicContact CG-CD2 4.07Å; P137-F143 HydrophobicContact CG-CE2 4.01Å; K141-F143 PolarHBondContact O-N 3.3Å; F143-H147 HydrophobicContact CD2-CB 3.6Å; F143-H147 AromaticContact CD2-CG 3.57Å; F143-H147 AromaticContact CD2-ND1 3.67Å; F143-H147 HydrophobicContact CE2-CB 3.27Å; F143-H147 AromaticContact CE2-CG 3.73Å; F143-H147 HydrophobicContact CZ-CB 4.17Å; F143-Y255 HydrophobicContact CB-CD1 4.48Å; F143-Y255 HydrophobicContact CB-CE1 3.64Å; F143-Y255 HydrophobicContact CD1-CD1 4.13Å; F143-Y255 HydrophobicContact CD1-CE1 4.1Å; F143-Y255 HydrophobicContact CD2-CE1 4.49Å; F143-Y255 HydrophobicContact CG-CD1 4.35Å; F143-Y255 AromaticContact CG-CE1 3.87Å; F143-Y255 HydrophobicContact CG-CE1 3.87Å; F143-V258 HydrophobicContact CD1-CG1 4.39Å; F143-V258 HydrophobicContact CE1-CB 4.41Å; F143-V258 HydrophobicContact CE1-CG1 3.92Å; F143-Y259 HydrophobicContact CE1-CE1 4.32Å; F143-Y259 AromaticContact CZ-CE1 3.75Å; F143-Y259 HydrophobicContact CZ-CE1 3.75Å; F143-Y259 AromaticContact CZ-CZ 3.95Å; F143-L396 HydrophobicContact CD1-CB 3.93Å; F143-L396 HydrophobicContact CD1-CD2 4.05Å; F143-L396 HydrophobicContact CE1-CB 4.12Å; F143-L396 HydrophobicContact CE1-CD2 3.36Å; F143-L396 HydrophobicContact CE1-CG 4.31Å; F143-L396 HydrophobicContact CZ-CD2 3.64Å; F143-L396 PolarHBondContact O-N 2.94Å
144H79.4Confident87.3Confident71 Ų7118.3 Ų18.333%0.32910%0.101SC..BIsolated β-bridgetrans-90168.5-17458.655.8000113.7K142 G146 H147 V394K142-H144 HydrophobicContact CG-CB 4.18Å; K142-H144 PolarHBondContact O-CD2 3.23Å; K142-H144 PolarHBondContact O-N 3.09Å; H144-G146 WeakPolarHBondContact ND1-CA 3.49Å; H144-G146 PolarHBondContact ND1-N 3.27Å; H144-G146 PolarHBondContact O-N 3.24Å; H144-H147 AromaticContact CD2-CE1 3.69Å; H144-H147 AromaticContact CE1-CE1 3.37Å; H144-H147 PolarHBondContact CE1-CE1 3.04Å; H144-H147 AromaticContact CE1-ND1 3.52Å; H144-H147 AromaticContact CG-CE1 3.79Å; H144-H147 AromaticContact CG-ND1 3.7Å; H144-H147 PolarHBondContact N-ND1 3.45Å; H144-H147 AromaticContact ND1-CE1 3.58Å; H144-H147 AromaticContact ND1-ND1 3.32Å; H144-H147 PolarHBondContact ND1-ND1 2.8Å; H144-H147 AromaticContact NE2-CE1 3.44Å; H144-H147 PolarHBondContact NE2-CE1 2.97Å; H144-H147 AromaticContact NE2-ND1 3.98Å; H144-H147 WeakPolarHBondContact O-CB 3.29Å; H144-H147 PolarHBondContact O-N 2.93Å; H144-H147 PolarHBondContact O-ND1 3.21Å; H144-V394 VanDerWaalsContact CA-O 3.26Å; H144-V394 WeakPolarHBondContact CA-O 2.93Å; H144-V394 WeakPolarHBondContact CB-O 3.38Å
145A71.3Confident87.4Confident11 Ų1118.4 Ų18.49%0.09110%0.102CC..THydrogen-bonded Turntrans-29.1-47.1167.100000116.5H147 L148 M386 V394 V399A145-H147 PolarHBondContact O-N 2.99Å; A145-H147 VanDerWaalsContact O-N 3.15Å; A145-L148 WeakPolarHBondContact O-CB 3.37Å; A145-L148 PolarHBondContact O-N 2.74Å; A145-M386 HydrophobicContact CB-CB 4.17Å; A145-M386 HydrophobicContact CB-CG 3.96Å; A145-M386 HydrophobicContact CB-SD 3.22Å; A145-M386 WeakPolarHBondContact CB-SD 3.47Å; A145-V394 PolarHBondContact N-O 3.04Å; A145-V399 HydrophobicContact CB-CG2 4.33Å
146G77.4Confident87.5Confident33 Ų3318.1 Ų18.134%0.3410%0.1SC..THydrogen-bonded Turntrans-57.5-26.3178.800000115.3H144 L148H144-G146 WeakPolarHBondContact ND1-CA 3.49Å; H144-G146 PolarHBondContact ND1-N 3.27Å; H144-G146 PolarHBondContact O-N 3.24Å; G146-L148 VanDerWaalsContact C-N 3.29Å; G146-L148 PolarHBondContact O-N 2.79Å
147H87.7Confident87.7Confident35 Ų3516.6 Ų16.616%0.1629%0.089CC..Hα-helixtrans-78.2-14.3176.6-55.297.3000113K142 F143 H144 A145 R149 T151K142-H147 PolarHBondContact O-CE1 3.33Å; K142-H147 VanDerWaalsContact O-CE1 3.29Å; F143-H147 HydrophobicContact CD2-CB 3.6Å; F143-H147 AromaticContact CD2-CG 3.57Å; F143-H147 AromaticContact CD2-ND1 3.67Å; F143-H147 HydrophobicContact CE2-CB 3.27Å; F143-H147 AromaticContact CE2-CG 3.73Å; F143-H147 HydrophobicContact CZ-CB 4.17Å; H144-H147 AromaticContact CD2-CE1 3.69Å; H144-H147 AromaticContact CE1-CE1 3.37Å; H144-H147 PolarHBondContact CE1-CE1 3.04Å; H144-H147 AromaticContact CE1-ND1 3.52Å; H144-H147 AromaticContact CG-CE1 3.79Å; H144-H147 AromaticContact CG-ND1 3.7Å; H144-H147 PolarHBondContact N-ND1 3.45Å; H144-H147 AromaticContact ND1-CE1 3.58Å; H144-H147 AromaticContact ND1-ND1 3.32Å; H144-H147 PolarHBondContact ND1-ND1 2.8Å; H144-H147 AromaticContact NE2-CE1 3.44Å; H144-H147 PolarHBondContact NE2-CE1 2.97Å; H144-H147 AromaticContact NE2-ND1 3.98Å; H144-H147 WeakPolarHBondContact O-CB 3.29Å; H144-H147 PolarHBondContact O-N 2.93Å; H144-H147 PolarHBondContact O-ND1 3.21Å; A145-H147 PolarHBondContact O-N 2.99Å; A145-H147 VanDerWaalsContact O-N 3.15Å; H147-R149 VanDerWaalsContact C-N 3.26Å; H147-R149 PolarHBondContact O-N 3.47Å; H147-T151 VanDerWaalsContact O-CB 3.29Å; H147-T151 WeakPolarHBondContact O-CB 3.3Å; H147-T151 PolarHBondContact O-N 3.1Å; H147-T151 VanDerWaalsContact O-N 3.17Å; H147-T151 PolarHBondContact O-OG1 2.94Å
148L90.5Very high88Confident1 Ų116.5 Ų16.51%0.0059%0.089CC..Hα-helixtrans-55.7-44.8177178.162.6000110.5A145 G146 T151 I152 L262 M386 L396 L435A145-L148 WeakPolarHBondContact O-CB 3.37Å; A145-L148 PolarHBondContact O-N 2.74Å; G146-L148 VanDerWaalsContact C-N 3.29Å; G146-L148 PolarHBondContact O-N 2.79Å; L148-T151 WeakPolarHBondContact O-CB 3.24Å; L148-T151 PolarHBondContact O-N 2.87Å; L148-I152 HydrophobicContact CD1-CG2 3.63Å; L148-I152 HydrophobicContact CG-CD1 4.33Å; L148-I152 HydrophobicContact CG-CG2 4.35Å; L148-I152 WeakPolarHBondContact O-CG1 3.45Å; L148-I152 PolarHBondContact O-N 2.93Å; L148-L262 HydrophobicContact CD1-CD1 4.44Å; L148-L262 HydrophobicContact CD1-CD2 4.27Å; L148-M386 HydrophobicContact CD2-CE 4.2Å; L148-L396 HydrophobicContact CB-CD1 3.84Å; L148-L396 HydrophobicContact CD1-CD1 3.97Å; L148-L396 HydrophobicContact CG-CD1 4.31Å; L148-L435 HydrophobicContact CD2-CD2 4.41Å
149R93.8Very high88.6Confident4 Ų416.2 Ų16.22%0.0159%0.087CC..Hα-helixtrans-58.7-58.6-175.5-61.2-15277.5-176.52.2112.4H147 T151 I152 I153 F380 G381 V383 D439 L444 S446H147-R149 VanDerWaalsContact C-N 3.26Å; H147-R149 PolarHBondContact O-N 3.47Å; R149-T151 PolarHBondContact O-N 2.66Å; R149-I152 PolarHBondContact O-N 3.31Å; R149-I153 HydrophobicContact CB-CD1 4.15Å; R149-I153 VanDerWaalsContact O-CB 3.27Å; R149-I153 WeakPolarHBondContact O-CB 3.49Å; R149-I153 WeakPolarHBondContact O-CD1 3.27Å; R149-I153 WeakPolarHBondContact O-CG1 3.07Å; R149-I153 PolarHBondContact O-N 3.42Å; R149-F380 HydrophobicContact CB-CD2 3.73Å; R149-F380 HydrophobicContact CB-CE2 3.68Å; R149-F380 HydrophobicContact CB-CG 4.25Å; R149-F380 HydrophobicContact CB-CZ 4.16Å; R149-F380 HydrophobicContact CG-CD2 4.39Å; R149-F380 HydrophobicContact CG-CE2 4.49Å; R149-G381 VanDerWaalsContact CD-O 3.28Å; R149-G381 WeakPolarHBondContact CD-O 3.45Å; R149-G381 PolarHBondContact NH1-O 3.3Å; R149-V383 VanDerWaalsContact CD-CG2 3.49Å; R149-V383 HydrophobicContact CG-CG2 3.53Å; R149-D439 WeakPolarHBondContact CG-OD2 3.34Å; R149-D439 IonicContact CZ-OD1 3.56Å; R149-D439 IonicContact CZ-OD2 3.43Å; R149-D439 IonicContact NE-OD1 4Å; R149-D439 PolarHBondContact NE-OD1 3.09Å; R149-D439 IonicContact NE-OD2 3.69Å; R149-D439 PolarHBondContact NE-OD2 3.37Å; R149-D439 IonicContact NH2-OD1 2.71Å; R149-D439 PolarHBondContact NH2-OD1 2.93Å; R149-D439 IonicContact NH2-OD2 2.68Å; R149-L444 PolarHBondContact NH1-O 3.42Å; R149-S446 PolarHBondContact NH1-O 3.25Å; R149-S446 VanDerWaalsContact NH1-O 3.16Å
150S96.3Very high89.3Confident7 Ų715.9 Ų15.95%0.0499%0.085CC..Hα-helixtrans-54.3-42.5177.5179.30000110.8S135 G154 V348 F380S135-S150 WeakPolarHBondContact CA-OG 3.44Å; S135-S150 PolarHBondContact N-OG 3.1Å; S150-G154 PolarHBondContact O-N 3.33Å; S150-V348 PolarHBondContact OG-O 2.9Å; S150-F380 VanDerWaalsContact CA-CE1 3.5Å
151T97.3Very high90.6Very high0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-58.7-53.6-179.3-57.10000112.7F134 S135 H147 L148 R149 N155 Y259 L262 I264F134-T151 WeakPolarHBondContact CD2-O 3.26Å; F134-T151 WeakPolarHBondContact CE2-O 3.42Å; S135-T151 WeakPolarHBondContact CB-OG1 3.46Å; S135-T151 PolarHBondContact OG-OG1 3.43Å; H147-T151 VanDerWaalsContact O-CB 3.29Å; H147-T151 WeakPolarHBondContact O-CB 3.3Å; H147-T151 PolarHBondContact O-N 3.1Å; H147-T151 VanDerWaalsContact O-N 3.17Å; H147-T151 PolarHBondContact O-OG1 2.94Å; L148-T151 WeakPolarHBondContact O-CB 3.24Å; L148-T151 PolarHBondContact O-N 2.87Å; R149-T151 PolarHBondContact O-N 2.66Å; T151-N155 WeakPolarHBondContact O-CB 3.34Å; T151-N155 PolarHBondContact O-N 3.5Å; T151-Y259 HydrophobicContact CG2-CD1 3.82Å; T151-Y259 HydrophobicContact CG2-CE1 3.68Å; T151-L262 HydrophobicContact CG2-CD1 3.82Å; T151-I264 HydrophobicContact CG2-CD1 3.35Å
152I97.6Very high91.8Very high3 Ų316 Ų162%0.0159%0.086CC..Hα-helixtrans-75.8-36.5-177.464.8179.4000112.2L148 R149 N155 F156 I436 D439 F440L148-I152 HydrophobicContact CD1-CG2 3.63Å; L148-I152 HydrophobicContact CG-CD1 4.33Å; L148-I152 HydrophobicContact CG-CG2 4.35Å; L148-I152 WeakPolarHBondContact O-CG1 3.45Å; L148-I152 PolarHBondContact O-N 2.93Å; R149-I152 PolarHBondContact O-N 3.31Å; I152-N155 PolarHBondContact O-N 2.85Å; I152-F156 PolarHBondContact O-N 3.06Å; I152-I436 HydrophobicContact CG2-CG1 4.18Å; I152-D439 HydrophobicContact CD1-CB 3.62Å; I152-F440 HydrophobicContact CB-CE1 4.43Å; I152-F440 HydrophobicContact CB-CZ 4.06Å; I152-F440 HydrophobicContact CD1-CD1 4.44Å; I152-F440 HydrophobicContact CD1-CE1 3.86Å; I152-F440 HydrophobicContact CD1-CZ 4.2Å; I152-F440 HydrophobicContact CG1-CE1 3.73Å; I152-F440 HydrophobicContact CG1-CZ 3.87Å
153I98.4Very high92.8Very high0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-64-48.3179-66.6165.6000109.9R149 N155 F156 I157 V348 V378 F380 F440 L444R149-I153 HydrophobicContact CB-CD1 4.15Å; R149-I153 VanDerWaalsContact O-CB 3.27Å; R149-I153 WeakPolarHBondContact O-CB 3.49Å; R149-I153 WeakPolarHBondContact O-CD1 3.27Å; R149-I153 WeakPolarHBondContact O-CG1 3.07Å; R149-I153 PolarHBondContact O-N 3.42Å; I153-N155 VanDerWaalsContact C-N 3.32Å; I153-N155 PolarHBondContact O-N 3.36Å; I153-F156 PolarHBondContact O-N 2.84Å; I153-I157 HydrophobicContact CG2-CD1 3.96Å; I153-I157 WeakPolarHBondContact O-CG1 3.36Å; I153-I157 PolarHBondContact O-N 3.33Å; I153-V348 HydrophobicContact CB-CG1 3.92Å; I153-V348 HydrophobicContact CG2-CG1 3.61Å; I153-V378 HydrophobicContact CG2-CG1 4.26Å; I153-F380 HydrophobicContact CD1-CB 3.65Å; I153-F380 HydrophobicContact CD1-CD1 3.67Å; I153-F380 HydrophobicContact CD1-CG 3.72Å; I153-F440 HydrophobicContact CG1-CE1 3.74Å; I153-L444 HydrophobicContact CD1-CD1 4.35Å; I153-L444 HydrophobicContact CD1-CD2 3.75Å; I153-L444 HydrophobicContact CD1-CG 4.49Å; I153-L444 HydrophobicContact CG1-CD1 4.43Å; I153-L444 HydrophobicContact CG1-CD2 3.84Å; I153-L444 HydrophobicContact CG2-CD1 3.78Å
154G98.5Very high93.5Very high0 Ų017 Ų170%010%0.096CC..Hα-helixtrans-62.3-39.9177.600000112.5S150 I157 A158S150-G154 PolarHBondContact O-N 3.33Å; G154-I157 PolarHBondContact O-N 2.84Å; G154-A158 WeakPolarHBondContact O-CB 3.47Å; G154-A158 PolarHBondContact O-N 3.32Å
155N98.7Very high94.2Very high4 Ų415.7 Ų15.72%0.02110%0.102CC..Hα-helixtrans-63.4-43.3174.4-169.650.9000112.5F134 T151 I152 I153 I157 A158 N159 I264F134-N155 HydrophobicContact CE2-CB 4.31Å; T151-N155 WeakPolarHBondContact O-CB 3.34Å; T151-N155 PolarHBondContact O-N 3.5Å; I152-N155 PolarHBondContact O-N 2.85Å; I153-N155 VanDerWaalsContact C-N 3.32Å; I153-N155 PolarHBondContact O-N 3.36Å; N155-I157 PolarHBondContact O-N 2.96Å; N155-A158 PolarHBondContact O-N 3.33Å; N155-N159 PolarHBondContact ND2-ND2 2.92Å; N155-N159 WeakPolarHBondContact O-CB 3.41Å; N155-N159 PolarHBondContact O-N 3.04Å; N155-N159 PolarHBondContact O-ND2 2.74Å; N155-N159 PolarHBondContact O-OD1 3.41Å; N155-I264 HydrophobicContact CB-CD1 3.91Å; N155-I264 HydrophobicContact CB-CG1 3.98Å
156F98.8Very high95.4Very high0 Ų016.1 Ų16.10%010%0.103CC..Hα-helixtrans-58.1-48.6174.2155.9-104000111.6I152 I153 A158 N159 L160 F440 P521 L524 I572 L573I152-F156 PolarHBondContact O-N 3.06Å; I153-F156 PolarHBondContact O-N 2.84Å; F156-A158 VanDerWaalsContact C-N 3.34Å; F156-A158 PolarHBondContact O-N 3.45Å; F156-N159 PolarHBondContact O-N 3.34Å; F156-L160 HydrophobicContact CE1-CD2 4.49Å; F156-L160 HydrophobicContact CE2-CB 4.4Å; F156-L160 HydrophobicContact CE2-CD2 4.3Å; F156-L160 HydrophobicContact CZ-CD2 3.85Å; F156-L160 WeakPolarHBondContact O-CB 3.42Å; F156-L160 PolarHBondContact O-N 3.43Å; F156-F440 HydrophobicContact CB-CE2 3.9Å; F156-F440 HydrophobicContact CB-CZ 3.87Å; F156-F440 HydrophobicContact CG-CE2 4.34Å; F156-P521 HydrophobicContact CD1-CB 3.78Å; F156-P521 HydrophobicContact CD1-CG 4.16Å; F156-P521 HydrophobicContact CD2-CB 4.04Å; F156-P521 HydrophobicContact CE1-CB 3.72Å; F156-P521 HydrophobicContact CE1-CG 4.2Å; F156-P521 HydrophobicContact CE2-CB 3.96Å; F156-P521 HydrophobicContact CG-CB 3.95Å; F156-P521 VanDerWaalsContact CZ-CA 3.47Å; F156-P521 HydrophobicContact CZ-CB 3.81Å; F156-L524 HydrophobicContact CE2-CD2 4.48Å; F156-I572 HydrophobicContact CD2-CG2 4.15Å; F156-I572 HydrophobicContact CE2-CG2 4.03Å; F156-L573 HydrophobicContact CD2-CD2 3.94Å; F156-L573 HydrophobicContact CE2-CD2 4.12Å
157I98.8Very high96.4Very high0 Ų019.1 Ų19.10%011%0.111CC..Hα-helixtrans-61-46.2179.1-68.5168.9000110.1V132 I153 G154 N155 N159 L160 K161 I346 V348 V378 L519V132-I157 HydrophobicContact CG1-CG2 4.31Å; V132-I157 HydrophobicContact CG2-CG2 4.25Å; I153-I157 HydrophobicContact CG2-CD1 3.96Å; I153-I157 WeakPolarHBondContact O-CG1 3.36Å; I153-I157 PolarHBondContact O-N 3.33Å; G154-I157 PolarHBondContact O-N 2.84Å; N155-I157 PolarHBondContact O-N 2.96Å; I157-N159 PolarHBondContact O-N 3.34Å; I157-L160 PolarHBondContact O-N 2.81Å; I157-K161 HydrophobicContact CG2-CG 4.26Å; I157-K161 WeakPolarHBondContact O-CB 3.08Å; I157-K161 VanDerWaalsContact O-CG 3.27Å; I157-K161 WeakPolarHBondContact O-CG 3.5Å; I157-K161 PolarHBondContact O-N 3.25Å; I157-I346 HydrophobicContact CD1-CG2 4.35Å; I157-I346 HydrophobicContact CG2-CD1 3.66Å; I157-I346 HydrophobicContact CG2-CG2 4.42Å; I157-V348 HydrophobicContact CD1-CG2 4.09Å; I157-V378 HydrophobicContact CD1-CB 4.3Å; I157-V378 HydrophobicContact CD1-CG1 4.05Å; I157-V378 HydrophobicContact CD1-CG2 4.04Å; I157-L519 HydrophobicContact CD1-CB 4.41Å; I157-L519 HydrophobicContact CG2-CD2 4.27Å
158A98.7Very high96.9Very high0 Ų018 Ų180%011%0.107CC..Hα-helixtrans-59.4-46.1177.800000111.8V132 G154 N155 F156 K161 Q162 V168 R170V132-A158 HydrophobicContact CG2-CB 4.4Å; G154-A158 WeakPolarHBondContact O-CB 3.47Å; G154-A158 PolarHBondContact O-N 3.32Å; N155-A158 PolarHBondContact O-N 3.33Å; F156-A158 VanDerWaalsContact C-N 3.34Å; F156-A158 PolarHBondContact O-N 3.45Å; A158-K161 PolarHBondContact O-N 3.19Å; A158-Q162 VanDerWaalsContact O-CB 3.25Å; A158-Q162 WeakPolarHBondContact O-CB 3.4Å; A158-Q162 PolarHBondContact O-N 2.92Å; A158-V168 HydrophobicContact CB-CG1 3.8Å; A158-R170 HydrophobicContact CB-CG 3.89Å
159N98.6Very high97.3Very high27 Ų2719 Ų1914%0.14411%0.112CC..Hα-helixtrans-67-40.1179.6-65.6-15.1000112.3N155 F156 I157 S163 R170 R571 I572N155-N159 PolarHBondContact ND2-ND2 2.92Å; N155-N159 WeakPolarHBondContact O-CB 3.41Å; N155-N159 PolarHBondContact O-N 3.04Å; N155-N159 PolarHBondContact O-ND2 2.74Å; N155-N159 PolarHBondContact O-OD1 3.41Å; F156-N159 PolarHBondContact O-N 3.34Å; I157-N159 PolarHBondContact O-N 3.34Å; N159-S163 WeakPolarHBondContact O-CB 3.48Å; N159-S163 PolarHBondContact O-N 3.08Å; N159-S163 PolarHBondContact O-OG 3.26Å; N159-R170 PolarHBondContact OD1-NH2 3.32Å; N159-R571 PolarHBondContact ND2-O 3.23Å; N159-I572 WeakPolarHBondContact CB-O 3.29Å
160L97.9Very high97.6Very high1 Ų119.1 Ų19.11%0.00511%0.112CC..Hα-helixtrans-62.2-52.4175.2177.362000110.6F156 I157 Q162 S163 L164 L512 D516 I572F156-L160 HydrophobicContact CE1-CD2 4.49Å; F156-L160 HydrophobicContact CE2-CB 4.4Å; F156-L160 HydrophobicContact CE2-CD2 4.3Å; F156-L160 HydrophobicContact CZ-CD2 3.85Å; F156-L160 WeakPolarHBondContact O-CB 3.42Å; F156-L160 PolarHBondContact O-N 3.43Å; I157-L160 PolarHBondContact O-N 2.81Å; L160-Q162 VanDerWaalsContact C-N 3.3Å; L160-Q162 PolarHBondContact O-N 3.14Å; L160-S163 PolarHBondContact O-N 2.9Å; L160-S163 VanDerWaalsContact O-N 3.14Å; L160-L164 HydrophobicContact CD1-CD1 4.19Å; L160-L164 HydrophobicContact CD1-CG 4.43Å; L160-L164 HydrophobicContact CG-CD1 4.27Å; L160-L164 WeakPolarHBondContact O-CG 3.44Å; L160-L164 PolarHBondContact O-N 3.24Å; L160-L512 HydrophobicContact CD1-CD2 4.2Å; L160-D516 HydrophobicContact CD2-CB 4.27Å; L160-I572 HydrophobicContact CB-CG2 4.07Å; L160-I572 HydrophobicContact CD1-CG2 4.17Å
161K97.4Very high97.7Very high10 Ų1018.8 Ų18.84%0.04311%0.11CC..Hα-helixtrans-60.5-40.1179.9-69.2-58.6-177-178.60112I130 I157 A158 L164 G165 N166 V168 D516I130-K161 HydrophobicContact CD1-CB 4.06Å; I130-K161 HydrophobicContact CD1-CD 3.66Å; I130-K161 HydrophobicContact CD1-CG 3.92Å; I157-K161 HydrophobicContact CG2-CG 4.26Å; I157-K161 WeakPolarHBondContact O-CB 3.08Å; I157-K161 VanDerWaalsContact O-CG 3.27Å; I157-K161 WeakPolarHBondContact O-CG 3.5Å; I157-K161 PolarHBondContact O-N 3.25Å; A158-K161 PolarHBondContact O-N 3.19Å; K161-L164 PolarHBondContact O-N 3.06Å; K161-G165 PolarHBondContact O-N 3.26Å; K161-N166 HydrophobicContact CB-CB 4.47Å; K161-N166 VanDerWaalsContact O-CB 3.31Å; K161-N166 WeakPolarHBondContact O-CB 3.47Å; K161-N166 PolarHBondContact O-N 3.1Å; K161-N166 VanDerWaalsContact O-N 3.11Å; K161-N166 PolarHBondContact O-ND2 3.34Å; K161-V168 HydrophobicContact CB-CG2 3.78Å; K161-D516 VanDerWaalsContact CD-OD1 3.28Å; K161-D516 WeakPolarHBondContact CD-OD1 3.4Å; K161-D516 WeakPolarHBondContact CE-OD1 3.42Å; K161-D516 IonicContact NZ-OD1 2.7Å; K161-D516 PolarHBondContact NZ-OD1 3.16Å; K161-D516 IonicContact NZ-OD2 2.78Å; K161-D516 PolarHBondContact NZ-OD2 3.11Å
162Q97.1Very high97.7Very high98 Ų9818.8 Ų18.846%0.45811%0.11SC..Hα-helixtrans-65.5-42.5175.4-176.4175.6-23.700111.8A158 L160 L164 G165 V168 R170A158-Q162 VanDerWaalsContact O-CB 3.25Å; A158-Q162 WeakPolarHBondContact O-CB 3.4Å; A158-Q162 PolarHBondContact O-N 2.92Å; L160-Q162 VanDerWaalsContact C-N 3.3Å; L160-Q162 PolarHBondContact O-N 3.14Å; Q162-L164 PolarHBondContact O-N 2.91Å; Q162-G165 WeakPolarHBondContact O-CA 3.49Å; Q162-G165 PolarHBondContact O-N 3.21Å; Q162-V168 HydrophobicContact CB-CB 4.46Å; Q162-V168 HydrophobicContact CB-CG2 3.92Å; Q162-R170 VanDerWaalsContact OE1-NH1 3.13Å
163S95.6Very high97.6Very high42 Ų4219.3 Ų19.329%0.29411%0.112SC..Hα-helixtrans-62.7-30.5177.2-580000112L117 N159 L160 G165L117-S163 WeakPolarHBondContact CD1-O 3.49Å; N159-S163 WeakPolarHBondContact O-CB 3.48Å; N159-S163 PolarHBondContact O-N 3.08Å; N159-S163 PolarHBondContact O-OG 3.26Å; L160-S163 PolarHBondContact O-N 2.9Å; L160-S163 VanDerWaalsContact O-N 3.14Å; S163-G165 PolarHBondContact O-N 2.7Å
164L94.4Very high97.4Very high10 Ų1019.3 Ų19.35%0.05211%0.112CC..THydrogen-bonded Turntrans-80.45.3174-62.4176.3000113.9L117 F122 L125 L160 K161 Q162 D516L117-L164 HydrophobicContact CD2-CD2 3.94Å; F122-L164 HydrophobicContact CD1-CD1 4.46Å; F122-L164 HydrophobicContact CD1-CD2 3.57Å; F122-L164 HydrophobicContact CD2-CD2 4.18Å; F122-L164 HydrophobicContact CE1-CD1 4.26Å; F122-L164 HydrophobicContact CE1-CD2 3.39Å; F122-L164 HydrophobicContact CE1-CG 4.48Å; F122-L164 HydrophobicContact CE2-CD2 4.06Å; F122-L164 HydrophobicContact CG-CD2 3.95Å; F122-L164 HydrophobicContact CZ-CD2 3.67Å; L125-L164 HydrophobicContact CD1-CD1 4.38Å; L160-L164 HydrophobicContact CD1-CD1 4.19Å; L160-L164 HydrophobicContact CD1-CG 4.43Å; L160-L164 HydrophobicContact CG-CD1 4.27Å; L160-L164 WeakPolarHBondContact O-CG 3.44Å; L160-L164 PolarHBondContact O-N 3.24Å; K161-L164 PolarHBondContact O-N 3.06Å; Q162-L164 PolarHBondContact O-N 2.91Å; L164-D516 HydrophobicContact CD1-CB 3.76Å; L164-D516 WeakPolarHBondContact CD1-OD1 3.45Å
165G94.1Very high97.1Very high44 Ų4419.7 Ų19.745%0.45412%0.116SC..THydrogen-bonded Turntrans87.918.1173.300000115.3K161 Q162 S163K161-G165 PolarHBondContact O-N 3.26Å; Q162-G165 WeakPolarHBondContact O-CA 3.49Å; Q162-G165 PolarHBondContact O-N 3.21Å; S163-G165 PolarHBondContact O-N 2.7Å
166N96.4Very high96.6Very high19 Ų1919.5 Ų19.510%0.10212%0.115CC..  trans-82151.4172.4-62.9-78.6000111.6R127 G128 I130 K161 V168R127-N166 WeakPolarHBondContact CA-OD1 3.26Å; G128-N166 PolarHBondContact N-OD1 3.07Å; G128-N166 VanDerWaalsContact N-OD1 3.14Å; I130-N166 HydrophobicContact CD1-CB 3.74Å; I130-N166 VanDerWaalsContact CD1-CG 3.41Å; I130-N166 HydrophobicContact CG1-CB 4.04Å; K161-N166 HydrophobicContact CB-CB 4.47Å; K161-N166 VanDerWaalsContact O-CB 3.31Å; K161-N166 WeakPolarHBondContact O-CB 3.47Å; K161-N166 PolarHBondContact O-N 3.1Å; K161-N166 VanDerWaalsContact O-N 3.11Å; K161-N166 PolarHBondContact O-ND2 3.34Å; N166-V168 HydrophobicContact CB-CG2 4.25Å; N166-V168 PolarHBondContact O-N 2.97Å
167N98Very high96Very high97 Ų9720.2 Ų20.252%0.51912%0.118SC..EExtended strand (participates in β ladder)trans-79.3111.1165.6178.642.3000108.3G128 T129 I130G128-N167 PolarHBondContact O-N 3.32Å; T129-N167 CarbonylContact C-O 3.5Å; T129-N167 VanDerWaalsContact CA-O 3.26Å; T129-N167 WeakPolarHBondContact CA-O 3.32Å; T129-N167 PolarHBondContact OG1-ND2 3.45Å; T129-N167 VanDerWaalsContact OG1-ND2 3.16Å; I130-N167 PolarHBondContact N-O 3.39Å
168V98.6Very high95.4Very high12 Ų1220.5 Ų20.57%0.07312%0.121CC..EExtended strand (participates in β ladder)trans-105.8130.6-173.8178.90000110.6I130 V132 A158 K161 Q162 N166 R170I130-V168 CarbonylContact O-C 3.49Å; I130-V168 WeakPolarHBondContact O-CA 2.98Å; V132-V168 HydrophobicContact CG2-CG1 4.14Å; A158-V168 HydrophobicContact CB-CG1 3.8Å; K161-V168 HydrophobicContact CB-CG2 3.78Å; Q162-V168 HydrophobicContact CB-CB 4.46Å; Q162-V168 HydrophobicContact CB-CG2 3.92Å; N166-V168 HydrophobicContact CB-CG2 4.25Å; N166-V168 PolarHBondContact O-N 2.97Å; V168-R170 HydrophobicContact CG1-CG 4.3Å
169I98.8Very high94.7Very high22 Ų2224 Ų2411%0.11314%0.138CC..EExtended strand (participates in β ladder)trans-109.3111.2172.1-57.1173.6000108T129 I130 L131 V132 D267 V268 Y340T129-I169 HydrophobicContact CG2-CD1 3.68Å; T129-I169 HydrophobicContact CG2-CG1 4.19Å; I130-I169 PolarHBondContact O-N 2.85Å; L131-I169 WeakPolarHBondContact CA-O 3.5Å; L131-I169 HydrophobicContact CD1-CG2 4.42Å; L131-I169 HydrophobicContact CG-CB 4.33Å; L131-I169 HydrophobicContact CG-CG2 4.4Å; V132-I169 PolarHBondContact N-O 3.17Å; I169-D267 HydrophobicContact CG2-CB 4.33Å; I169-V268 HydrophobicContact CG2-CG2 4.25Å; I169-Y340 HydrophobicContact CD1-CD1 3.65Å; I169-Y340 HydrophobicContact CD1-CE1 4.47Å; I169-Y340 HydrophobicContact CD1-CG 3.91Å
170R98.8Very high94.1Very high5 Ų525 Ų252%0.01914%0.142CC..EExtended strand (participates in β ladder)trans-85111.5174.9-64177.7-179.572.31.3109F134 A158 N159 Q162 V168 H265 F266 D267 V268F134-R170 HydrophobicContact CE1-CB 3.9Å; F134-R170 HydrophobicContact CE1-CG 4.09Å; F134-R170 HydrophobicContact CZ-CB 4.35Å; F134-R170 HydrophobicContact CZ-CG 4.45Å; A158-R170 HydrophobicContact CB-CG 3.89Å; N159-R170 PolarHBondContact OD1-NH2 3.32Å; Q162-R170 VanDerWaalsContact OE1-NH1 3.13Å; V168-R170 HydrophobicContact CG1-CG 4.3Å; R170-H265 WeakPolarHBondContact CD-O 3.45Å; R170-H265 PolarHBondContact NH1-NE2 3.48Å; R170-F266 HydrophobicContact CB-CD1 4.15Å; R170-D267 WeakPolarHBondContact CB-OD2 3.25Å; R170-D267 PolarHBondContact N-OD2 3.01Å; R170-D267 PolarHBondContact O-N 2.83Å; R170-V268 PolarHBondContact O-N 2.82Å
171M98.6Very high93.5Very high1 Ų125 Ų251%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-111.7132.6-178.8-177.9172.3-72.200111.1L131 V132 E133 F134 V268 R336 Y340L131-M171 HydrophobicContact CD1-CE 3.85Å; L131-M171 HydrophobicContact CD2-CB 4.12Å; L131-M171 HydrophobicContact CD2-CE 4.45Å; L131-M171 HydrophobicContact CD2-SD 4.2Å; V132-M171 PolarHBondContact O-N 3.09Å; E133-M171 WeakPolarHBondContact CA-O 3.29Å; F134-M171 PolarHBondContact N-O 3.41Å; F134-M171 VanDerWaalsContact N-O 3.14Å; M171-V268 WeakPolarHBondContact CA-O 3.42Å; M171-V268 HydrophobicContact CE-CB 4.29Å; M171-V268 HydrophobicContact CE-CG1 4.15Å; M171-R336 HydrophobicContact CE-CG 4.28Å; M171-R336 HydrophobicContact SD-CG 4.38Å; M171-Y340 HydrophobicContact CE-CD2 4.39Å; M171-Y340 HydrophobicContact CE-CE2 3.54Å
172N97.7Very high93.1Very high0 Ų024.6 Ų24.60%014%0.14CC..EExtended strand (participates in β ladder)trans-105.3116.6166-163.1-31.2000108.4S136 P137 L174 Y259 F266 V268 F269 S270S136-N172 WeakPolarHBondContact CA-OD1 3.42Å; S136-N172 PolarHBondContact N-OD1 2.88Å; P137-N172 WeakPolarHBondContact CD-OD1 3.36Å; N172-L174 VanDerWaalsContact OD1-CD2 3.31Å; N172-L174 WeakPolarHBondContact OD1-CD2 3.39Å; N172-Y259 VanDerWaalsContact ND2-CE2 3.32Å; N172-Y259 WeakPolarHBondContact ND2-CE2 3.45Å; N172-Y259 PolarHBondContact ND2-OH 3.38Å; N172-F266 HydrophobicContact CB-CD1 3.62Å; N172-F266 HydrophobicContact CB-CD2 4.22Å; N172-F266 HydrophobicContact CB-CE1 3.66Å; N172-F266 HydrophobicContact CB-CE2 4.29Å; N172-F266 HydrophobicContact CB-CG 3.88Å; N172-F266 HydrophobicContact CB-CZ 4Å; N172-V268 PolarHBondContact N-O 3.14Å; N172-F269 HydrophobicContact CB-CD1 3.96Å; N172-F269 HydrophobicContact CB-CE1 4.21Å; N172-S270 PolarHBondContact O-N 3.4Å
173Y96.8Very high92.7Very high13 Ų1320.8 Ų20.85%0.05112%0.123CC..EExtended strand (participates in β ladder)trans-104.192.5-178.4-175.8-123.3000110.1E133 S136 G271 E272 H275 A332 R336E133-Y173 WeakPolarHBondContact OE1-CB 3.34Å; S136-Y173 WeakPolarHBondContact CA-O 3.08Å; S136-Y173 WeakPolarHBondContact CB-O 3.34Å; S136-Y173 PolarHBondContact OG-N 2.67Å; S136-Y173 PolarHBondContact OG-O 3.32Å; Y173-G271 VanDerWaalsContact CE2-O 3.26Å; Y173-G271 WeakPolarHBondContact CE2-O 3.3Å; Y173-E272 HydrophobicContact CE1-CG 4.12Å; Y173-H275 AromaticContact CE2-CD2 3.66Å; Y173-H275 AromaticContact CE2-NE2 3.85Å; Y173-A332 HydrophobicContact CE2-CB 4.39Å; Y173-R336 VanDerWaalsContact CD1-NH2 3.34Å
174L94.2Very high92.4Very high0 Ų018.9 Ų18.90%011%0.11CC..EExtended strand (participates in β ladder)trans-71.9136-171.1-60.4173.6000111.9P137 I139 N172 D176 V252 Y255 S270 G271 E272P137-L174 HydrophobicContact CG-CD2 3.94Å; I139-L174 HydrophobicContact CG2-CB 4.16Å; I139-L174 HydrophobicContact CG2-CD1 4.17Å; I139-L174 HydrophobicContact CG2-CD2 4.11Å; I139-L174 HydrophobicContact CG2-CG 4.38Å; N172-L174 VanDerWaalsContact OD1-CD2 3.31Å; N172-L174 WeakPolarHBondContact OD1-CD2 3.39Å; L174-D176 HydrophobicContact CB-CB 4.19Å; L174-D176 PolarHBondContact O-N 2.64Å; L174-V252 HydrophobicContact CD1-CG2 3.58Å; L174-Y255 HydrophobicContact CD2-CD2 4.23Å; L174-Y255 HydrophobicContact CD2-CE2 4.15Å; L174-S270 WeakPolarHBondContact CB-O 3.48Å; L174-S270 PolarHBondContact N-O 2.99Å; L174-G271 WeakPolarHBondContact O-CA 3.27Å; L174-E272 PolarHBondContact O-N 3.33Å; L174-E272 VanDerWaalsContact O-N 3.07Å
175G91.4Very high92.2Very high8 Ų818.4 Ų18.48%0.08211%0.107CC..BIsolated β-bridgetrans-73.576.2165.200000109.6P137 N138 I139P137-G175 PolarHBondContact O-N 2.89Å; N138-G175 PolarHBondContact ND2-O 3.34Å; N138-G175 PolarHBondContact OD1-O 2.97Å; I139-G175 PolarHBondContact N-O 3.48Å
176D88.5Confident92Very high0 Ų016.8 Ų16.80%09%0.089CC..  trans-110.413.3-171.969.1-0.8000114.1I139 L174 F181 W244 R248 E272 S273I139-D176 HydrophobicContact CD1-CB 3.34Å; I139-D176 HydrophobicContact CG1-CB 3.98Å; L174-D176 HydrophobicContact CB-CB 4.19Å; L174-D176 PolarHBondContact O-N 2.64Å; D176-F181 HydrophobicContact CB-CE2 4.48Å; D176-F181 WeakPolarHBondContact O-CD2 3.31Å; D176-W244 PolarHBondContact O-NE1 3.42Å; D176-R248 WeakPolarHBondContact OD2-CD 3.49Å; D176-R248 IonicContact OD2-CZ 3.61Å; D176-R248 IonicContact OD2-NE 3.84Å; D176-R248 PolarHBondContact OD2-NE 3.04Å; D176-R248 IonicContact OD2-NH2 2.8Å; D176-E272 PolarHBondContact OD1-N 3.45Å; D176-S273 VanDerWaalsContact OD1-CB 3.22Å; D176-S273 WeakPolarHBondContact OD1-CB 3.33Å; D176-S273 PolarHBondContact OD1-N 2.86Å; D176-S273 PolarHBondContact OD1-OG 2.85Å; D176-S273 PolarHBondContact OD2-OG 3.37Å
177W86.8Confident91.8Very high15 Ų1515.9 Ų15.96%0.0579%0.085CC..  trans-142.5140.2-177.1-157.7-102.3000112F230 L233 E234 M241 E272 S273W177-F230 AromaticContact NE1-CE2 3.84Å; W177-F230 AromaticContact NE1-CZ 3.9Å; W177-L233 HydrophobicContact CH2-CB 3.97Å; W177-L233 HydrophobicContact CZ2-CB 4.4Å; W177-L233 HydrophobicContact CZ3-CB 4.45Å; W177-E234 HydrophobicContact CZ2-CG 4.21Å; W177-M241 HydrophobicContact CH2-SD 4.34Å; W177-E272 HydrophobicContact CB-CB 3.77Å; W177-S273 VanDerWaalsContact CE3-CB 3.45Å
178G85.3Confident91.4Very high7 Ų712.5 Ų12.57%0.0727%0.065CC..SBendtrans129.3-176.4175.300000114.2Q180 F181 G182 F230G178-Q180 PolarHBondContact O-N 3.12Å; G178-F181 WeakPolarHBondContact O-CA 3.38Å; G178-F181 VanDerWaalsContact O-CB 3.3Å; G178-F181 WeakPolarHBondContact O-CB 3.33Å; G178-F181 PolarHBondContact O-N 3.26Å; G178-G182 PolarHBondContact O-N 3.01Å; G178-F230 WeakPolarHBondContact O-CD2 3.33Å
179M84.8Confident90.9Very high74 Ų7416.8 Ų16.837%0.36510%0.095SC..Hα-helixtrans-57.7-24.8-175.2-171.962.2-167.300114.1F181 G182 L183 A226 R227M179-F181 PolarHBondContact O-N 3.25Å; M179-G182 WeakPolarHBondContact O-CA 3.16Å; M179-G182 PolarHBondContact O-N 3.38Å; M179-G182 VanDerWaalsContact O-N 3.13Å; M179-L183 HydrophobicContact CE-CG 4.47Å; M179-L183 PolarHBondContact O-N 3.24Å; M179-A226 HydrophobicContact CE-CB 3.4Å; M179-R227 HydrophobicContact CE-CG 3.74Å; M179-R227 HydrophobicContact SD-CG 4.08Å
180Q84.4Confident90.4Very high46 Ų4622.2 Ų22.222%0.21512%0.115CC..Hα-helixtrans-63.7-32.9174.5-65.8175.79.800111.9N138 A140 G178 L184 Y209N138-Q180 VanDerWaalsContact CG-OE1 3.22Å; N138-Q180 PolarHBondContact ND2-OE1 3.03Å; N138-Q180 PolarHBondContact OD1-OE1 3.3Å; A140-Q180 HydrophobicContact CB-CB 4.04Å; G178-Q180 PolarHBondContact O-N 3.12Å; Q180-L184 PolarHBondContact O-N 3.46Å; Q180-Y209 HydrophobicContact CB-CE2 4.38Å
181F86Confident90.1Very high3 Ų324.6 Ų24.61%0.01313%0.125CC..Hα-helixtrans-71.4-38.5169.6-102.1-82.3000113I139 A140 D176 G178 M179 L183 L184 G185 L233 W244 F247I139-F181 HydrophobicContact CD1-CE1 4.26Å; I139-F181 HydrophobicContact CD1-CE2 3.41Å; I139-F181 VanDerWaalsContact CD1-CE2 3.41Å; I139-F181 HydrophobicContact CD1-CZ 3.11Å; I139-F181 HydrophobicContact CG1-CE2 3.22Å; I139-F181 HydrophobicContact CG1-CZ 3.29Å; A140-F181 HydrophobicContact CB-CE2 4.44Å; D176-F181 HydrophobicContact CB-CE2 4.48Å; D176-F181 WeakPolarHBondContact O-CD2 3.31Å; G178-F181 WeakPolarHBondContact O-CA 3.38Å; G178-F181 VanDerWaalsContact O-CB 3.3Å; G178-F181 WeakPolarHBondContact O-CB 3.33Å; G178-F181 PolarHBondContact O-N 3.26Å; M179-F181 PolarHBondContact O-N 3.25Å; F181-L183 VanDerWaalsContact C-N 3.28Å; F181-L183 PolarHBondContact O-N 2.71Å; F181-L184 HydrophobicContact CE1-CD2 4.33Å; F181-L184 PolarHBondContact O-N 3.44Å; F181-G185 PolarHBondContact O-N 3.37Å; F181-L233 HydrophobicContact CB-CD1 4.13Å; F181-W244 AromaticContact CD1-CD1 3.65Å; F181-W244 AromaticContact CE1-CD1 3.65Å; F181-F247 HydrophobicContact CE1-CB 4.31Å; F181-F247 HydrophobicContact CE1-CD2 4.21Å
182G88.6Confident89.6Confident0 Ų025.9 Ų25.90%014%0.139CC..Hα-helixtrans-50.6-50.9170.500000111.7G178 M179 A186 A226G178-G182 PolarHBondContact O-N 3.01Å; M179-G182 WeakPolarHBondContact O-CA 3.16Å; M179-G182 PolarHBondContact O-N 3.38Å; M179-G182 VanDerWaalsContact O-N 3.13Å; G182-A186 WeakPolarHBondContact O-CB 3.27Å; G182-A186 PolarHBondContact O-N 2.87Å; G182-A226 WeakPolarHBondContact CA-O 3.14Å; G182-A226 WeakPolarHBondContact O-CA 3.44Å
183L88.6Confident89.3Confident19 Ų1927.6 Ų27.610%0.09915%0.15CC..Hα-helixtrans-62.7-48.3177-75.3165.3000112.2M179 F181 G185 A186 G187 V212 A216 A226M179-L183 HydrophobicContact CE-CG 4.47Å; M179-L183 PolarHBondContact O-N 3.24Å; F181-L183 VanDerWaalsContact C-N 3.28Å; F181-L183 PolarHBondContact O-N 2.71Å; L183-G185 PolarHBondContact O-N 3.44Å; L183-A186 PolarHBondContact O-N 3.43Å; L183-G187 PolarHBondContact O-N 3.32Å; L183-V212 HydrophobicContact CB-CG1 4.12Å; L183-V212 HydrophobicContact CD2-CG2 4.38Å; L183-V212 WeakPolarHBondContact O-CG1 3.38Å; L183-A216 HydrophobicContact CD2-CB 3.81Å; L183-A226 HydrophobicContact CB-CB 4.48Å; L183-A226 HydrophobicContact CD2-CB 3.7Å; L183-A226 HydrophobicContact CG-CB 3.96Å
184L89.8Confident88.9Confident2 Ų230.4 Ų30.41%0.0117%0.169CC..Hα-helixtrans-62.4-43.1-179-175.861.3000112A140 Q180 F181 G187 F188 L205 V208 F247A140-L184 HydrophobicContact CB-CD2 4.38Å; Q180-L184 PolarHBondContact O-N 3.46Å; F181-L184 HydrophobicContact CE1-CD2 4.33Å; F181-L184 PolarHBondContact O-N 3.44Å; L184-G187 PolarHBondContact O-N 2.84Å; L184-F188 VanDerWaalsContact O-CB 3.31Å; L184-F188 WeakPolarHBondContact O-CB 3.39Å; L184-F188 PolarHBondContact O-N 3Å; L184-L205 HydrophobicContact CD1-CD2 4.29Å; L184-L205 WeakPolarHBondContact CD1-O 3.44Å; L184-L205 HydrophobicContact CD2-CD2 4.44Å; L184-V208 HydrophobicContact CD1-CB 4.34Å; L184-V208 HydrophobicContact CD1-CG1 4.05Å; L184-F247 HydrophobicContact CD2-CD2 3.88Å; L184-F247 HydrophobicContact CD2-CE2 4.23Å; L184-F247 HydrophobicContact CG-CD2 4.15Å; L184-F247 HydrophobicContact CG-CE2 3.99Å
185G89.9Confident88.6Confident0 Ų036.1 Ų36.10%020%0.196CC..Hα-helixtrans-65.9-46.4178.100000113.2F181 L183 F188 S189F181-G185 PolarHBondContact O-N 3.37Å; L183-G185 PolarHBondContact O-N 3.44Å; G185-F188 PolarHBondContact O-N 3.26Å; G185-S189 PolarHBondContact O-N 3.09Å
186A90.5Very high88.5Confident10 Ų1040.7 Ų40.78%0.08321%0.213CC..Hα-helixtrans-63.6-41.9174.900000111.8G182 L183 S189 A225 A226G182-A186 WeakPolarHBondContact O-CB 3.27Å; G182-A186 PolarHBondContact O-N 2.87Å; L183-A186 PolarHBondContact O-N 3.43Å; A186-S189 PolarHBondContact O-N 2.8Å; A186-A225 HydrophobicContact CB-CB 4.11Å; A186-A226 HydrophobicContact CB-CB 4.24Å
187G91.2Very high88.4Confident0 Ų041 Ų410%022%0.215CC..Hα-helixtrans-65.1-38.5177.500000112.9L183 L184 S189 R190 F191 V208L183-G187 PolarHBondContact O-N 3.32Å; L184-G187 PolarHBondContact O-N 2.84Å; G187-S189 VanDerWaalsContact C-N 3.28Å; G187-S189 PolarHBondContact O-N 3.32Å; G187-R190 PolarHBondContact O-N 3.06Å; G187-F191 WeakPolarHBondContact O-CD2 3.48Å; G187-F191 PolarHBondContact O-N 3.01Å; G187-V208 VanDerWaalsContact C-CG1 3.47Å
188F91.5Very high88.3Confident26 Ų2648.1 Ų48.111%0.11425%0.246CC..Hα-helixtrans-65.4-33-179.8-165.8-93.7000112.2L184 G185 R190 G192 L197 H204 L205 V208 L243 F247L184-F188 VanDerWaalsContact O-CB 3.31Å; L184-F188 WeakPolarHBondContact O-CB 3.39Å; L184-F188 PolarHBondContact O-N 3Å; G185-F188 PolarHBondContact O-N 3.26Å; F188-R190 PolarHBondContact O-N 3.45Å; F188-G192 WeakPolarHBondContact O-CA 3.42Å; F188-G192 PolarHBondContact O-N 3.1Å; F188-L197 HydrophobicContact CE2-CD1 4.41Å; F188-L197 HydrophobicContact CE2-CD2 4.12Å; F188-L197 HydrophobicContact CZ-CD2 3.82Å; F188-H204 AromaticContact CE2-CD2 3.94Å; F188-H204 AromaticContact CE2-NE2 3.76Å; F188-L205 HydrophobicContact CD2-CD2 4.26Å; F188-L205 HydrophobicContact CE2-CD2 4.37Å; F188-V208 HydrophobicContact CB-CG1 4.32Å; F188-V208 HydrophobicContact CD2-CG2 4.35Å; F188-L243 HydrophobicContact CD1-CD1 4.29Å; F188-L243 HydrophobicContact CE1-CD1 4.49Å; F188-F247 HydrophobicContact CB-CE2 4.35Å; F188-F247 HydrophobicContact CB-CZ 3.82Å; F188-F247 HydrophobicContact CD1-CE1 4.39Å; F188-F247 AromaticContact CD1-CZ 3.89Å; F188-F247 HydrophobicContact CD1-CZ 3.89Å; F188-F247 HydrophobicContact CD2-CE1 4.05Å; F188-F247 AromaticContact CD2-CZ 3.65Å; F188-F247 HydrophobicContact CD2-CZ 3.65Å; F188-F247 HydrophobicContact CE1-CE1 4.43Å; F188-F247 HydrophobicContact CE1-CZ 4.38Å; F188-F247 HydrophobicContact CE2-CE1 4.09Å; F188-F247 HydrophobicContact CE2-CZ 4.16Å; F188-F247 HydrophobicContact CG-CE1 4.21Å; F188-F247 HydrophobicContact CG-CE2 4.47Å; F188-F247 AromaticContact CG-CZ 3.51Å; F188-F247 HydrophobicContact CG-CZ 3.51Å; F188-F247 HydrophobicContact CZ-CE1 4.29Å
189S87.3Confident88.4Confident101 Ų10155.5 Ų55.571%0.70628%0.279SS*.Hα-helixtrans-62.8-24173.5-61.50000113.4G185 A186 G187G185-S189 PolarHBondContact O-N 3.09Å; A186-S189 PolarHBondContact O-N 2.8Å; G187-S189 VanDerWaalsContact C-N 3.28Å; G187-S189 PolarHBondContact O-N 3.32Å
190R88.4Confident88.4Confident137 Ų13756.2 Ų56.252%0.51728%0.284SS..Hα-helixtrans-101.2-41.1-179.1-70.7-169.8170.9-167.5-0.3113.9G187 F188 E215 M222G187-R190 PolarHBondContact O-N 3.06Å; F188-R190 PolarHBondContact O-N 3.45Å; R190-E215 IonicContact NH1-OE1 3.03Å; R190-E215 PolarHBondContact NH1-OE1 3.36Å; R190-E215 IonicContact NH1-OE2 2.96Å; R190-M222 PolarHBondContact NE-SD 3.1Å; R190-M222 VanDerWaalsContact NE-SD 3.4Å; R190-M222 PolarHBondContact NH1-SD 2.99Å
191F91.6Very high88.4Confident54 Ų5454.6 Ų54.624%0.23728%0.277CS..Hα-helixtrans-117.2-6.8-169.8-51.8-58.6000112.7G187 V208 Q211 E215G187-F191 WeakPolarHBondContact O-CD2 3.48Å; G187-F191 PolarHBondContact O-N 3.01Å; F191-V208 HydrophobicContact CB-CG1 4.48Å; F191-V208 HydrophobicContact CB-CG2 4.19Å; F191-Q211 HydrophobicContact CD1-CG 4.14Å; F191-Q211 HydrophobicContact CD2-CB 4.33Å; F191-Q211 HydrophobicContact CD2-CG 4Å; F191-Q211 HydrophobicContact CE1-CG 4.12Å; F191-Q211 HydrophobicContact CE2-CG 3.97Å; F191-Q211 HydrophobicContact CG-CG 4.07Å; F191-Q211 HydrophobicContact CZ-CG 4.02Å; F191-E215 VanDerWaalsContact CE2-OE2 3.25Å; F191-E215 WeakPolarHBondContact CE2-OE2 3.33Å; F191-E215 WeakPolarHBondContact CZ-OE2 3.38Å
192G89.6Confident88.2Confident28 Ų2856 Ų5629%0.28929%0.285SS..  trans-68.9144.2179.800000112.3F188F188-G192 WeakPolarHBondContact O-CA 3.42Å; F188-G192 PolarHBondContact O-N 3.1Å
193C91.3Very high88Confident37 Ų3758.5 Ų58.525%0.2530%0.297CS..  trans-137.7122.7173.8168.50000107.6E195 K196 L197 H204C193-E195 VanDerWaalsContact C-N 3.29Å; C193-E195 PolarHBondContact O-N 2.85Å; C193-E195 PolarHBondContact SG-OE2 3.37Å; C193-K196 HydrophobicContact CB-CB 4.09Å; C193-K196 HydrophobicContact CB-CD 4.13Å; C193-K196 HydrophobicContact CB-CG 4.12Å; C193-K196 PolarHBondContact O-N 2.87Å; C193-L197 WeakPolarHBondContact O-CB 3.48Å; C193-L197 PolarHBondContact O-N 3.36Å; C193-H204 PolarHBondContact N-CE1 3.36Å; C193-H204 PolarHBondContact N-NE2 3.01Å
194T86.7Confident88.1Confident71 Ų7157.9 Ų57.944%0.43629%0.293SS..Hα-helixtrans-69.2-30.9-174.8-51.70000111.7K198T194-K198 WeakPolarHBondContact O-CG 3.4Å; T194-K198 PolarHBondContact O-N 2.98Å
195E88.5Confident88Confident120 Ų12058.1 Ų58.156%0.56130%0.295SS*.Hα-helixtrans-66.6-51.6176-63.167.3-147.200110.3C193 L197 K198 E199C193-E195 VanDerWaalsContact C-N 3.29Å; C193-E195 PolarHBondContact O-N 2.85Å; C193-E195 PolarHBondContact SG-OE2 3.37Å; E195-L197 VanDerWaalsContact C-N 3.28Å; E195-L197 PolarHBondContact O-N 3.44Å; E195-K198 WeakPolarHBondContact O-CB 3.39Å; E195-K198 PolarHBondContact O-N 2.83Å; E195-E199 PolarHBondContact O-N 3.46Å; E195-E199 VanDerWaalsContact O-N 3.15Å
196K89Confident87.7Confident105 Ų10560.8 Ų60.846%0.45731%0.306SS..Hα-helixtrans-60.4-37.9176.1-71.9-174.3174-167.80112.7C193 K198 E199 N200 H204C193-K196 HydrophobicContact CB-CB 4.09Å; C193-K196 HydrophobicContact CB-CD 4.13Å; C193-K196 HydrophobicContact CB-CG 4.12Å; C193-K196 PolarHBondContact O-N 2.87Å; K196-K198 PolarHBondContact O-N 3.22Å; K196-E199 PolarHBondContact O-N 2.85Å; K196-N200 PolarHBondContact O-N 3.29Å; K196-H204 HydrophobicContact CB-CB 4.08Å; K196-H204 WeakPolarHBondContact CB-ND1 3.37Å; K196-H204 WeakPolarHBondContact CD-ND1 3.39Å
197L86.6Confident87.6Confident5 Ų564 Ų643%0.02632%0.319CS..Hα-helixtrans-63.2-28.4175.9-17268.8000112.3F188 C193 E195 P201 L205 F247 I250F188-L197 HydrophobicContact CE2-CD1 4.41Å; F188-L197 HydrophobicContact CE2-CD2 4.12Å; F188-L197 HydrophobicContact CZ-CD2 3.82Å; C193-L197 WeakPolarHBondContact O-CB 3.48Å; C193-L197 PolarHBondContact O-N 3.36Å; E195-L197 VanDerWaalsContact C-N 3.28Å; E195-L197 PolarHBondContact O-N 3.44Å; L197-P201 HydrophobicContact CD1-CB 4.12Å; L197-P201 WeakPolarHBondContact O-CA 3.42Å; L197-P201 WeakPolarHBondContact O-CB 3.36Å; L197-P201 WeakPolarHBondContact O-CG 3.3Å; L197-L205 HydrophobicContact CD1-CD1 4.18Å; L197-L205 HydrophobicContact CD1-CD2 3.77Å; L197-L205 HydrophobicContact CD1-CG 3.71Å; L197-F247 HydrophobicContact CD2-CE1 4.3Å; L197-I250 HydrophobicContact CD1-CD1 4.41Å; L197-I250 HydrophobicContact CD2-CD1 3.99Å; L197-I250 HydrophobicContact CG-CD1 4.07Å
198K85.2Confident87.6Confident165 Ų16564 Ų6472%0.71732%0.32SS*.Hα-helixtrans-80.2-33175.3-72171.8-178.2173.70112.7T194 E195 K196T194-K198 WeakPolarHBondContact O-CG 3.4Å; T194-K198 PolarHBondContact O-N 2.98Å; E195-K198 WeakPolarHBondContact O-CB 3.39Å; E195-K198 PolarHBondContact O-N 2.83Å; K196-K198 PolarHBondContact O-N 3.22Å
199E86.9Confident87.4Confident162 Ų16264.4 Ų64.476%0.75732%0.32SS*.Hα-helixtrans-80-51.4-176.8-70.8178.9176.100112.8E195 K196E195-E199 PolarHBondContact O-N 3.46Å; E195-E199 VanDerWaalsContact O-N 3.15Å; K196-E199 PolarHBondContact O-N 2.85Å
200N84.1Confident87.4Confident89 Ų8963 Ų6348%0.47631%0.308SS..SBendtrans-142.182.7178.8-167.3-23.6000110.1K196 L202 Q203 H204K196-N200 PolarHBondContact O-N 3.29Å; N200-L202 PolarHBondContact O-N 3.39Å; N200-Q203 HydrophobicContact CB-CB 4.11Å; N200-Q203 PolarHBondContact O-N 3.37Å; N200-Q203 WeakPolarHBondContact OD1-CB 3.36Å; N200-Q203 PolarHBondContact OD1-N 3.33Å; N200-H204 WeakPolarHBondContact O-CB 3.3Å; N200-H204 PolarHBondContact O-N 2.93Å
201P85.3Confident87.5Confident12 Ų1261 Ų618%0.07830%0.304CS..Hα-helixtrans-65-45.9-167.3-8.814000113.8L197 Q203 H204 L205 I250 E254L197-P201 HydrophobicContact CD1-CB 4.12Å; L197-P201 WeakPolarHBondContact O-CA 3.42Å; L197-P201 WeakPolarHBondContact O-CB 3.36Å; L197-P201 WeakPolarHBondContact O-CG 3.3Å; P201-Q203 VanDerWaalsContact C-N 3.35Å; P201-Q203 PolarHBondContact O-N 2.97Å; P201-H204 PolarHBondContact O-N 2.92Å; P201-L205 WeakPolarHBondContact O-CB 3.26Å; P201-L205 VanDerWaalsContact O-CG 3.25Å; P201-L205 WeakPolarHBondContact O-CG 3.49Å; P201-L205 PolarHBondContact O-N 3.5Å; P201-I250 HydrophobicContact CB-CG2 3.1Å; P201-I250 HydrophobicContact CG-CG2 3.67Å; P201-E254 HydrophobicContact CG-CG 4.19Å
202L82.1Confident87.4Confident32 Ų3258.5 Ų58.517%0.16829%0.293CS..Hα-helixtrans-64-41.7-179.1-67.2-174.4000111.7N200 F206 T251 E254 Y255N200-L202 PolarHBondContact O-N 3.39Å; L202-F206 VanDerWaalsContact O-CB 3.26Å; L202-F206 WeakPolarHBondContact O-CB 3.36Å; L202-F206 PolarHBondContact O-N 2.89Å; L202-T251 HydrophobicContact CD2-CG2 3.86Å; L202-E254 HydrophobicContact CD1-CB 3.55Å; L202-E254 HydrophobicContact CD1-CG 4.33Å; L202-E254 HydrophobicContact CD2-CB 4.1Å; L202-E254 HydrophobicContact CD2-CG 4.46Å; L202-E254 HydrophobicContact CG-CB 3.66Å; L202-E254 HydrophobicContact CG-CG 3.94Å; L202-Y255 HydrophobicContact CD1-CD1 4.21Å; L202-Y255 HydrophobicContact CD1-CE1 4.08Å; L202-Y255 HydrophobicContact CD2-CE1 4.32Å
203Q84.6Confident87.2Confident53 Ų5359.2 Ų59.225%0.24829%0.29CS..Hα-helixtrans-64.8-47.5178.1179.959.128.800111N200 P201 F206 E207N200-Q203 HydrophobicContact CB-CB 4.11Å; N200-Q203 PolarHBondContact O-N 3.37Å; N200-Q203 WeakPolarHBondContact OD1-CB 3.36Å; N200-Q203 PolarHBondContact OD1-N 3.33Å; P201-Q203 VanDerWaalsContact C-N 3.35Å; P201-Q203 PolarHBondContact O-N 2.97Å; Q203-F206 WeakPolarHBondContact O-CB 3.45Å; Q203-F206 PolarHBondContact O-N 3.01Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.18Å; Q203-E207 PolarHBondContact NE2-OE1 2.98Å; Q203-E207 WeakPolarHBondContact O-CG 3.16Å; Q203-E207 PolarHBondContact O-N 3.26Å
204H89.3Confident87.1Confident7 Ų764.4 Ų64.43%0.03231%0.309CS..Hα-helixtrans-65.2-43-179.8-177.764.9000112.1F188 C193 K196 N200 P201 F206 E207 V208F188-H204 AromaticContact CE2-CD2 3.94Å; F188-H204 AromaticContact CE2-NE2 3.76Å; C193-H204 PolarHBondContact N-CE1 3.36Å; C193-H204 PolarHBondContact N-NE2 3.01Å; K196-H204 HydrophobicContact CB-CB 4.08Å; K196-H204 WeakPolarHBondContact CB-ND1 3.37Å; K196-H204 WeakPolarHBondContact CD-ND1 3.39Å; N200-H204 WeakPolarHBondContact O-CB 3.3Å; N200-H204 PolarHBondContact O-N 2.93Å; P201-H204 PolarHBondContact O-N 2.92Å; H204-F206 VanDerWaalsContact C-N 3.28Å; H204-F206 PolarHBondContact O-N 3.19Å; H204-E207 PolarHBondContact O-N 3.4Å; H204-V208 WeakPolarHBondContact O-CG2 3.49Å; H204-V208 PolarHBondContact O-N 3.41Å
205L87.7Confident87.2Confident7 Ų763.8 Ų63.84%0.03730%0.301CS..Hα-helixtrans-61.5-37.9174.4-70.2176.3000111.8L184 F188 L197 P201 Y209 F247L184-L205 HydrophobicContact CD1-CD2 4.29Å; L184-L205 WeakPolarHBondContact CD1-O 3.44Å; L184-L205 HydrophobicContact CD2-CD2 4.44Å; F188-L205 HydrophobicContact CD2-CD2 4.26Å; F188-L205 HydrophobicContact CE2-CD2 4.37Å; L197-L205 HydrophobicContact CD1-CD1 4.18Å; L197-L205 HydrophobicContact CD1-CD2 3.77Å; L197-L205 HydrophobicContact CD1-CG 3.71Å; P201-L205 WeakPolarHBondContact O-CB 3.26Å; P201-L205 VanDerWaalsContact O-CG 3.25Å; P201-L205 WeakPolarHBondContact O-CG 3.49Å; P201-L205 PolarHBondContact O-N 3.5Å; L205-Y209 WeakPolarHBondContact O-CB 3.47Å; L205-Y209 PolarHBondContact O-N 2.97Å; L205-F247 HydrophobicContact CD2-CD1 3.84Å; L205-F247 HydrophobicContact CD2-CD2 4.38Å; L205-F247 HydrophobicContact CD2-CE1 3.8Å; L205-F247 HydrophobicContact CD2-CE2 4.34Å; L205-F247 HydrophobicContact CD2-CG 4.15Å; L205-F247 HydrophobicContact CD2-CZ 4.06Å
206F85.4Confident87.2Confident56 Ų5658.5 Ų58.525%0.24628%0.278CS..Hα-helixtrans-66.3-43.4174.7176-109.7000112.4K142 L202 Q203 H204 V208 Y209 V210 F395K142-F206 HydrophobicContact CB-CD2 3.93Å; K142-F206 HydrophobicContact CB-CE2 3.81Å; K142-F206 HydrophobicContact CB-CZ 4.44Å; K142-F206 HydrophobicContact CD-CE1 4.42Å; K142-F206 HydrophobicContact CD-CE2 4.37Å; K142-F206 HydrophobicContact CD-CZ 4.17Å; L202-F206 VanDerWaalsContact O-CB 3.26Å; L202-F206 WeakPolarHBondContact O-CB 3.36Å; L202-F206 PolarHBondContact O-N 2.89Å; Q203-F206 WeakPolarHBondContact O-CB 3.45Å; Q203-F206 PolarHBondContact O-N 3.01Å; H204-F206 VanDerWaalsContact C-N 3.28Å; H204-F206 PolarHBondContact O-N 3.19Å; F206-V208 PolarHBondContact O-N 3.05Å; F206-Y209 WeakPolarHBondContact O-CB 3.44Å; F206-Y209 PolarHBondContact O-N 3.16Å; F206-V210 HydrophobicContact CD1-CG2 4.41Å; F206-V210 HydrophobicContact CD2-CG2 4.12Å; F206-V210 HydrophobicContact CE1-CG2 3.96Å; F206-V210 HydrophobicContact CE2-CG2 3.62Å; F206-V210 HydrophobicContact CG-CG2 4.49Å; F206-V210 HydrophobicContact CZ-CG2 3.53Å; F206-V210 WeakPolarHBondContact O-CG2 3.36Å; F206-V210 PolarHBondContact O-N 2.78Å; F206-F395 AromaticContact CD1-CZ 3.98Å; F206-F395 HydrophobicContact CD1-CZ 3.98Å; F206-F395 HydrophobicContact CG-CZ 4.3Å
207E88Confident87.1Confident76 Ų7660 Ų6036%0.35529%0.286SS..Hα-helixtrans-57.9-48.2175.2-75.4171.4-165.400111.4Q203 H204 Y209 V210 Q211Q203-E207 WeakPolarHBondContact CG-OE1 3.18Å; Q203-E207 PolarHBondContact NE2-OE1 2.98Å; Q203-E207 WeakPolarHBondContact O-CG 3.16Å; Q203-E207 PolarHBondContact O-N 3.26Å; H204-E207 PolarHBondContact O-N 3.4Å; E207-Y209 VanDerWaalsContact C-N 3.33Å; E207-Y209 PolarHBondContact O-N 2.7Å; E207-V210 PolarHBondContact O-N 3.12Å; E207-Q211 WeakPolarHBondContact O-CB 3.29Å; E207-Q211 PolarHBondContact O-N 3.34Å
208V90.4Very high87.2Confident1 Ų167.2 Ų67.21%0.00632%0.32CS..Hα-helixtrans-58.7-46175.1172.70000110.7L184 G187 F188 F191 H204 F206 Q211 V212L184-V208 HydrophobicContact CD1-CB 4.34Å; L184-V208 HydrophobicContact CD1-CG1 4.05Å; G187-V208 VanDerWaalsContact C-CG1 3.47Å; F188-V208 HydrophobicContact CB-CG1 4.32Å; F188-V208 HydrophobicContact CD2-CG2 4.35Å; F191-V208 HydrophobicContact CB-CG1 4.48Å; F191-V208 HydrophobicContact CB-CG2 4.19Å; H204-V208 WeakPolarHBondContact O-CG2 3.49Å; H204-V208 PolarHBondContact O-N 3.41Å; F206-V208 PolarHBondContact O-N 3.05Å; V208-Q211 PolarHBondContact O-N 3.12Å; V208-V212 WeakPolarHBondContact O-CB 3.35Å; V208-V212 VanDerWaalsContact O-CG1 3.31Å; V208-V212 WeakPolarHBondContact O-CG1 3.48Å; V208-V212 PolarHBondContact O-N 3.36Å
209Y87.4Confident87.4Confident34 Ų3460.6 Ų60.613%0.13329%0.294CS..Hα-helixtrans-60.6-45.4178.6179.7-99.2000112.4A140 Q180 L205 F206 E207 V212 N213A140-Y209 HydrophobicContact CB-CD2 4.32Å; A140-Y209 HydrophobicContact CB-CE2 4.31Å; A140-Y209 WeakPolarHBondContact O-CD2 3.29Å; Q180-Y209 HydrophobicContact CB-CE2 4.38Å; L205-Y209 WeakPolarHBondContact O-CB 3.47Å; L205-Y209 PolarHBondContact O-N 2.97Å; F206-Y209 WeakPolarHBondContact O-CB 3.44Å; F206-Y209 PolarHBondContact O-N 3.16Å; E207-Y209 VanDerWaalsContact C-N 3.33Å; E207-Y209 PolarHBondContact O-N 2.7Å; Y209-V212 WeakPolarHBondContact O-CG1 3.39Å; Y209-N213 VanDerWaalsContact CD2-ND2 3.34Å; Y209-N213 WeakPolarHBondContact CD2-ND2 3.46Å; Y209-N213 VanDerWaalsContact CE1-ND2 3.31Å; Y209-N213 WeakPolarHBondContact CE1-ND2 3.49Å; Y209-N213 WeakPolarHBondContact CE2-ND2 3.23Å; Y209-N213 WeakPolarHBondContact O-CB 3.04Å; Y209-N213 PolarHBondContact O-N 2.92Å; Y209-N213 PolarHBondContact O-ND2 2.96Å
210V87.3Confident87.6Confident72 Ų7257.4 Ų57.444%0.43628%0.279SS..Hα-helixtrans-64.3-45178.8170.70000110.6F206 E207 N213 K214F206-V210 HydrophobicContact CD1-CG2 4.41Å; F206-V210 HydrophobicContact CD2-CG2 4.12Å; F206-V210 HydrophobicContact CE1-CG2 3.96Å; F206-V210 HydrophobicContact CE2-CG2 3.62Å; F206-V210 HydrophobicContact CG-CG2 4.49Å; F206-V210 HydrophobicContact CZ-CG2 3.53Å; F206-V210 WeakPolarHBondContact O-CG2 3.36Å; F206-V210 PolarHBondContact O-N 2.78Å; E207-V210 PolarHBondContact O-N 3.12Å; V210-N213 PolarHBondContact O-N 3.43Å; V210-K214 PolarHBondContact O-N 3.45Å; V210-K214 VanDerWaalsContact O-N 3.14Å
211Q89.6Confident87.9Confident96 Ų9658.5 Ų58.545%0.44929%0.285SS..Hα-helixtrans-64.5-44.6-179-170168.54.600111.7F191 E207 V208 K214 E215F191-Q211 HydrophobicContact CD1-CG 4.14Å; F191-Q211 HydrophobicContact CD2-CB 4.33Å; F191-Q211 HydrophobicContact CD2-CG 4Å; F191-Q211 HydrophobicContact CE1-CG 4.12Å; F191-Q211 HydrophobicContact CE2-CG 3.97Å; F191-Q211 HydrophobicContact CG-CG 4.07Å; F191-Q211 HydrophobicContact CZ-CG 4.02Å; E207-Q211 WeakPolarHBondContact O-CB 3.29Å; E207-Q211 PolarHBondContact O-N 3.34Å; V208-Q211 PolarHBondContact O-N 3.12Å; Q211-K214 PolarHBondContact O-N 2.7Å; Q211-E215 PolarHBondContact O-N 3.05Å
212V89.6Confident88.1Confident0 Ų058 Ų580%028%0.282CS..Hα-helixtrans-69.3-36.6179.974.80000112.7L183 V208 Y209 E215 A216 M222L183-V212 HydrophobicContact CB-CG1 4.12Å; L183-V212 HydrophobicContact CD2-CG2 4.38Å; L183-V212 WeakPolarHBondContact O-CG1 3.38Å; V208-V212 WeakPolarHBondContact O-CB 3.35Å; V208-V212 VanDerWaalsContact O-CG1 3.31Å; V208-V212 WeakPolarHBondContact O-CG1 3.48Å; V208-V212 PolarHBondContact O-N 3.36Å; Y209-V212 WeakPolarHBondContact O-CG1 3.39Å; V212-E215 PolarHBondContact O-N 2.94Å; V212-A216 VanDerWaalsContact O-CB 3.24Å; V212-A216 WeakPolarHBondContact O-CB 3.49Å; V212-A216 PolarHBondContact O-N 2.8Å; V212-M222 HydrophobicContact CG2-CE 3.41Å; V212-M222 VanDerWaalsContact CG2-CE 3.41Å
213N87.1Confident88.4Confident43 Ų4359.7 Ų59.723%0.2329%0.288CS..Hα-helixtrans-63.5-44.5175.4-85.2-85.1000111Y209 V210 E215 A216 E217Y209-N213 VanDerWaalsContact CD2-ND2 3.34Å; Y209-N213 WeakPolarHBondContact CD2-ND2 3.46Å; Y209-N213 VanDerWaalsContact CE1-ND2 3.31Å; Y209-N213 WeakPolarHBondContact CE1-ND2 3.49Å; Y209-N213 WeakPolarHBondContact CE2-ND2 3.23Å; Y209-N213 WeakPolarHBondContact O-CB 3.04Å; Y209-N213 PolarHBondContact O-N 2.92Å; Y209-N213 PolarHBondContact O-ND2 2.96Å; V210-N213 PolarHBondContact O-N 3.43Å; N213-E215 VanDerWaalsContact C-N 3.31Å; N213-E215 PolarHBondContact O-N 2.97Å; N213-A216 PolarHBondContact O-N 2.9Å; N213-E217 PolarHBondContact O-N 3.42Å; N213-E217 VanDerWaalsContact O-N 3.08Å
214K88.8Confident88.7Confident146 Ų14661 Ų6164%0.63530%0.296SS*.Hα-helixtrans-61.4-39.4177.3-172.4179.4179.8-178.20112.1V210 Q211V210-K214 PolarHBondContact O-N 3.45Å; V210-K214 VanDerWaalsContact O-N 3.14Å; Q211-K214 PolarHBondContact O-N 2.7Å
215E88.8Confident88.8Confident59 Ų5962.4 Ų62.428%0.27631%0.309SS..Hα-helixtrans-70.5-41.1176-165.8-179.8-171.300111.7R190 F191 Q211 V212 N213 E217 H218 S219 M222R190-E215 IonicContact NH1-OE1 3.03Å; R190-E215 PolarHBondContact NH1-OE1 3.36Å; R190-E215 IonicContact NH1-OE2 2.96Å; F191-E215 VanDerWaalsContact CE2-OE2 3.25Å; F191-E215 WeakPolarHBondContact CE2-OE2 3.33Å; F191-E215 WeakPolarHBondContact CZ-OE2 3.38Å; Q211-E215 PolarHBondContact O-N 3.05Å; V212-E215 PolarHBondContact O-N 2.94Å; N213-E215 VanDerWaalsContact C-N 3.31Å; N213-E215 PolarHBondContact O-N 2.97Å; E215-E217 PolarHBondContact O-N 3.04Å; E215-H218 CarbonylContact O-C 3.54Å; E215-H218 PolarHBondContact O-N 3.48Å; E215-S219 VanDerWaalsContact O-CB 3.31Å; E215-S219 WeakPolarHBondContact O-CB 3.47Å; E215-S219 PolarHBondContact O-N 3.22Å; E215-M222 HydrophobicContact CB-CG 4.49Å; E215-M222 HydrophobicContact CG-CG 3.9Å
216A87.6Confident88.9Confident9 Ų962 Ų627%0.07431%0.307CS..Hα-helixtrans-64.9-23.9179.200000113.2L183 V212 N213 H218 M222 K223L183-A216 HydrophobicContact CD2-CB 3.81Å; V212-A216 VanDerWaalsContact O-CB 3.24Å; V212-A216 WeakPolarHBondContact O-CB 3.49Å; V212-A216 PolarHBondContact O-N 2.8Å; N213-A216 PolarHBondContact O-N 2.9Å; A216-H218 PolarHBondContact O-N 3.05Å; A216-M222 HydrophobicContact CB-CB 4.36Å; A216-K223 HydrophobicContact CB-CG 4.3Å; A216-K223 WeakPolarHBondContact O-CE 3.49Å
217E88.3Confident89.1Confident136 Ų13665.8 Ų65.864%0.63632%0.32SS*.THydrogen-bonded Turntrans-62.6-25.8171.4-75.2175.9-172.600112.6N213 E215N213-E217 PolarHBondContact O-N 3.42Å; N213-E217 VanDerWaalsContact O-N 3.08Å; E215-E217 PolarHBondContact O-N 3.04Å
218H88.6Confident89.2Confident156 Ų15665.8 Ų65.872%0.72232%0.322SS*.THydrogen-bonded Turntrans-123.1-8.2-171.6-53.7-38.1000114.1E215 A216E215-H218 CarbonylContact O-C 3.54Å; E215-H218 PolarHBondContact O-N 3.48Å; A216-H218 PolarHBondContact O-N 3.05Å
219S89.6Confident89.2Confident26 Ų2666.7 Ų66.718%0.18233%0.326CS..  trans-122.3115.2-178.3176.70000111.3E215 D221 M222 K223E215-S219 VanDerWaalsContact O-CB 3.31Å; E215-S219 WeakPolarHBondContact O-CB 3.47Å; E215-S219 PolarHBondContact O-N 3.22Å; S219-D221 VanDerWaalsContact C-N 3.31Å; S219-M222 PolarHBondContact O-N 3.32Å; S219-M222 PolarHBondContact OG-N 3.25Å; S219-K223 PolarHBondContact O-N 2.86Å
220E90.5Very high89.3Confident95 Ų9566.7 Ų66.744%0.44433%0.327SS..Hα-helixtrans-69.9-31.9174.1-158.660.5-155.400111.5M222 K223 L224E220-M222 VanDerWaalsContact C-N 3.28Å; E220-M222 PolarHBondContact O-N 2.97Å; E220-K223 PolarHBondContact O-N 3.41Å; E220-K223 VanDerWaalsContact O-N 3.14Å; E220-K223 WeakPolarHBondContact OE2-CD 3.48Å; E220-K223 WeakPolarHBondContact OE2-CE 3.46Å; E220-K223 IonicContact OE2-NZ 2.82Å; E220-K223 PolarHBondContact OE2-NZ 3.12Å; E220-L224 WeakPolarHBondContact O-CG 3.37Å; E220-L224 PolarHBondContact O-N 2.87Å
221D90.6Very high89.4Confident112 Ų11268.1 Ų68.160%0.59932%0.324SS*.Hα-helixtrans-58.5-39.7173.6-65-20.1000111.8S219 L224 A225S219-D221 VanDerWaalsContact C-N 3.31Å; D221-L224 PolarHBondContact O-N 2.89Å; D221-A225 WeakPolarHBondContact O-CB 3.35Å; D221-A225 PolarHBondContact O-N 3.3Å
222M88.8Confident89.4Confident1 Ų166.1 Ų66.11%0.00532%0.315CS..Hα-helixtrans-71.1-34.8176.4-77.1-52.6-80.500113.2R190 V212 E215 A216 S219 E220 L224 A226R190-M222 PolarHBondContact NE-SD 3.1Å; R190-M222 VanDerWaalsContact NE-SD 3.4Å; R190-M222 PolarHBondContact NH1-SD 2.99Å; V212-M222 HydrophobicContact CG2-CE 3.41Å; V212-M222 VanDerWaalsContact CG2-CE 3.41Å; E215-M222 HydrophobicContact CB-CG 4.49Å; E215-M222 HydrophobicContact CG-CG 3.9Å; A216-M222 HydrophobicContact CB-CB 4.36Å; S219-M222 PolarHBondContact O-N 3.32Å; S219-M222 PolarHBondContact OG-N 3.25Å; E220-M222 VanDerWaalsContact C-N 3.28Å; E220-M222 PolarHBondContact O-N 2.97Å; M222-L224 VanDerWaalsContact C-N 3.33Å; M222-A226 VanDerWaalsContact O-CB 3.3Å; M222-A226 WeakPolarHBondContact O-CB 3.48Å; M222-A226 PolarHBondContact O-N 3.29Å
223K89.1Confident89.3Confident68 Ų6866.1 Ų66.130%0.29632%0.315SS..Hα-helixtrans-65.6-40172.6-63.7-176.8-154.1152.70111.3A216 S219 E220 A226 R227A216-K223 HydrophobicContact CB-CG 4.3Å; A216-K223 WeakPolarHBondContact O-CE 3.49Å; S219-K223 PolarHBondContact O-N 2.86Å; E220-K223 PolarHBondContact O-N 3.41Å; E220-K223 VanDerWaalsContact O-N 3.14Å; E220-K223 WeakPolarHBondContact OE2-CD 3.48Å; E220-K223 WeakPolarHBondContact OE2-CE 3.46Å; E220-K223 IonicContact OE2-NZ 2.82Å; E220-K223 PolarHBondContact OE2-NZ 3.12Å; K223-A226 PolarHBondContact O-N 2.86Å; K223-R227 WeakPolarHBondContact O-CG 3.46Å; K223-R227 PolarHBondContact O-N 3.42Å
224L90.7Very high89.2Confident80 Ų8067.9 Ų67.942%0.41932%0.322SS..Hα-helixtrans-63.7-50.2175.4-72.2170.1000110.8E220 D221 M222 A226 R227 D228E220-L224 WeakPolarHBondContact O-CG 3.37Å; E220-L224 PolarHBondContact O-N 2.87Å; D221-L224 PolarHBondContact O-N 2.89Å; M222-L224 VanDerWaalsContact C-N 3.33Å; L224-A226 VanDerWaalsContact C-N 3.28Å; L224-A226 PolarHBondContact O-N 2.89Å; L224-R227 PolarHBondContact O-N 2.85Å; L224-R227 VanDerWaalsContact O-N 3.08Å; L224-D228 WeakPolarHBondContact O-CB 3.31Å; L224-D228 PolarHBondContact O-N 2.67Å
225A90.6Very high89Confident37 Ų3766.2 Ų66.231%0.30632%0.316SS..Hα-helixtrans-57.6-40.5177.100000112.5A186 D221 D228 F229A186-A225 HydrophobicContact CB-CB 4.11Å; D221-A225 WeakPolarHBondContact O-CB 3.35Å; D221-A225 PolarHBondContact O-N 3.3Å; A225-D228 PolarHBondContact O-N 3.4Å; A225-F229 WeakPolarHBondContact O-CB 3.48Å; A225-F229 PolarHBondContact O-N 2.92Å
226A90.4Very high88.9Confident0 Ų068.6 Ų68.60%033%0.327CS..Hα-helixtrans-68-38.4176.600000112.9M179 G182 L183 A186 M222 K223 L224 F230M179-A226 HydrophobicContact CE-CB 3.4Å; G182-A226 WeakPolarHBondContact CA-O 3.14Å; G182-A226 WeakPolarHBondContact O-CA 3.44Å; L183-A226 HydrophobicContact CB-CB 4.48Å; L183-A226 HydrophobicContact CD2-CB 3.7Å; L183-A226 HydrophobicContact CG-CB 3.96Å; A186-A226 HydrophobicContact CB-CB 4.24Å; M222-A226 VanDerWaalsContact O-CB 3.3Å; M222-A226 WeakPolarHBondContact O-CB 3.48Å; M222-A226 PolarHBondContact O-N 3.29Å; K223-A226 PolarHBondContact O-N 2.86Å; L224-A226 VanDerWaalsContact C-N 3.28Å; L224-A226 PolarHBondContact O-N 2.89Å; A226-F230 WeakPolarHBondContact O-CB 3.35Å; A226-F230 PolarHBondContact O-N 3.1Å
227R89Confident89.2Confident135 Ų13571.7 Ų71.751%0.50934%0.34SS..Hα-helixtrans-66.6-41.9174-75.3176.8-175.7155.24.3110.9M179 K223 L224 F230 R231M179-R227 HydrophobicContact CE-CG 3.74Å; M179-R227 HydrophobicContact SD-CG 4.08Å; K223-R227 WeakPolarHBondContact O-CG 3.46Å; K223-R227 PolarHBondContact O-N 3.42Å; L224-R227 PolarHBondContact O-N 2.85Å; L224-R227 VanDerWaalsContact O-N 3.08Å; R227-F230 PolarHBondContact O-N 2.93Å; R227-R231 WeakPolarHBondContact O-CB 3.29Å; R227-R231 PolarHBondContact O-N 2.8Å
228D91.2Very high89.3Confident75 Ų7572.2 Ų72.240%0.40135%0.347SS..Hα-helixtrans-64-45.6177.3-78.1-29.5000111.3L224 A225 F230 R231 Q232L224-D228 WeakPolarHBondContact O-CB 3.31Å; L224-D228 PolarHBondContact O-N 2.67Å; A225-D228 PolarHBondContact O-N 3.4Å; D228-F230 VanDerWaalsContact C-N 3.33Å; D228-F230 PolarHBondContact O-N 2.91Å; D228-R231 WeakPolarHBondContact O-CB 3.37Å; D228-R231 PolarHBondContact O-N 2.96Å; D228-R231 IonicContact OD1-NE 3.85Å; D228-Q232 VanDerWaalsContact O-CG 3.3Å; D228-Q232 WeakPolarHBondContact O-CG 3.25Å; D228-Q232 PolarHBondContact O-N 3.49Å
229F90.8Very high89.3Confident20 Ų2072.9 Ų72.99%0.08835%0.35CS..Hα-helixtrans-60.5-43.1175.1-171.2-87.7000111.7A225 Q232 L233 A240 L243A225-F229 WeakPolarHBondContact O-CB 3.48Å; A225-F229 PolarHBondContact O-N 2.92Å; F229-Q232 WeakPolarHBondContact O-CB 3.44Å; F229-Q232 PolarHBondContact O-N 2.84Å; F229-L233 HydrophobicContact CD1-CD1 3.95Å; F229-L233 HydrophobicContact CD1-CG 4.21Å; F229-L233 HydrophobicContact CE1-CD1 3.66Å; F229-L233 HydrophobicContact CE1-CD2 4.27Å; F229-L233 HydrophobicContact CE1-CG 3.88Å; F229-L233 PolarHBondContact O-N 2.82Å; F229-A240 HydrophobicContact CE2-CB 4.19Å; F229-A240 HydrophobicContact CZ-CB 4.13Å; F229-L243 HydrophobicContact CE2-CD2 3.97Å; F229-L243 HydrophobicContact CZ-CB 4.38Å; F229-L243 HydrophobicContact CZ-CD2 3.83Å
230F89.4Confident89.3Confident35 Ų3571.7 Ų71.715%0.15434%0.342CS..Hα-helixtrans-64.8-39.6176.4-175.7-116.1000112.2W177 G178 A226 R227 D228 Q232 L233 E234W177-F230 AromaticContact NE1-CE2 3.84Å; W177-F230 AromaticContact NE1-CZ 3.9Å; G178-F230 WeakPolarHBondContact O-CD2 3.33Å; A226-F230 WeakPolarHBondContact O-CB 3.35Å; A226-F230 PolarHBondContact O-N 3.1Å; R227-F230 PolarHBondContact O-N 2.93Å; D228-F230 VanDerWaalsContact C-N 3.33Å; D228-F230 PolarHBondContact O-N 2.91Å; F230-Q232 VanDerWaalsContact C-N 3.33Å; F230-Q232 PolarHBondContact O-N 3.21Å; F230-L233 HydrophobicContact CD2-CD1 4.39Å; F230-L233 WeakPolarHBondContact O-CB 3.46Å; F230-L233 PolarHBondContact O-N 2.68Å; F230-E234 HydrophobicContact CD1-CG 4.44Å; F230-E234 HydrophobicContact CE1-CG 3.96Å; F230-E234 WeakPolarHBondContact CE1-OE1 3.48Å; F230-E234 HydrophobicContact CE2-CG 4.19Å; F230-E234 HydrophobicContact CZ-CG 3.82Å; F230-E234 WeakPolarHBondContact CZ-OE1 3.3Å; F230-E234 PolarHBondContact O-N 2.67Å
231R88.4Confident89.3Confident101 Ų10169 Ų6938%0.38133%0.33SS..Hα-helixtrans-59.4-43.4172.6-179.6-174.263.378.5-1.7111.6R227 D228 L233 E234 Q235R227-R231 WeakPolarHBondContact O-CB 3.29Å; R227-R231 PolarHBondContact O-N 2.8Å; D228-R231 WeakPolarHBondContact O-CB 3.37Å; D228-R231 PolarHBondContact O-N 2.96Å; D228-R231 IonicContact OD1-NE 3.85Å; R231-L233 VanDerWaalsContact C-N 3.29Å; R231-L233 PolarHBondContact O-N 2.96Å; R231-E234 PolarHBondContact O-N 3.42Å; R231-Q235 WeakPolarHBondContact O-CB 3.45Å; R231-Q235 WeakPolarHBondContact O-CG 3.38Å; R231-Q235 PolarHBondContact O-N 2.92Å
232Q89.9Confident89.3Confident54 Ų5467.2 Ų67.225%0.25233%0.326SS..Hα-helixtrans-61-38.6176.2-68.4174.2-0.200111.7D228 F229 F230 Q235 H236 E237 A240D228-Q232 VanDerWaalsContact O-CG 3.3Å; D228-Q232 WeakPolarHBondContact O-CG 3.25Å; D228-Q232 PolarHBondContact O-N 3.49Å; F229-Q232 WeakPolarHBondContact O-CB 3.44Å; F229-Q232 PolarHBondContact O-N 2.84Å; F230-Q232 VanDerWaalsContact C-N 3.33Å; F230-Q232 PolarHBondContact O-N 3.21Å; Q232-Q235 PolarHBondContact O-N 3.47Å; Q232-H236 PolarHBondContact O-N 3.21Å; Q232-E237 HydrophobicContact CB-CB 4.19Å; Q232-E237 HydrophobicContact CB-CG 4.26Å; Q232-E237 WeakPolarHBondContact CG-OE2 3.13Å; Q232-E237 PolarHBondContact O-N 2.8Å; Q232-A240 HydrophobicContact CB-CB 3.78Å
233L87.1Confident89.3Confident0 Ų068.5 Ų68.50%033%0.333CS..Hα-helixtrans-62.8-47.1172.6-72.7174.3000112W177 F181 F229 F230 R231 Q235 H236 A240 M241 W244W177-L233 HydrophobicContact CH2-CB 3.97Å; W177-L233 HydrophobicContact CZ2-CB 4.4Å; W177-L233 HydrophobicContact CZ3-CB 4.45Å; F181-L233 HydrophobicContact CB-CD1 4.13Å; F229-L233 HydrophobicContact CD1-CD1 3.95Å; F229-L233 HydrophobicContact CD1-CG 4.21Å; F229-L233 HydrophobicContact CE1-CD1 3.66Å; F229-L233 HydrophobicContact CE1-CD2 4.27Å; F229-L233 HydrophobicContact CE1-CG 3.88Å; F229-L233 PolarHBondContact O-N 2.82Å; F230-L233 HydrophobicContact CD2-CD1 4.39Å; F230-L233 WeakPolarHBondContact O-CB 3.46Å; F230-L233 PolarHBondContact O-N 2.68Å; R231-L233 VanDerWaalsContact C-N 3.29Å; R231-L233 PolarHBondContact O-N 2.96Å; L233-Q235 PolarHBondContact O-N 2.7Å; L233-H236 PolarHBondContact O-N 3.28Å; L233-A240 VanDerWaalsContact CD2-C 3.43Å; L233-A240 HydrophobicContact CD2-CB 3.77Å; L233-A240 VanDerWaalsContact CD2-O 3.28Å; L233-A240 WeakPolarHBondContact CD2-O 3.33Å; L233-A240 HydrophobicContact CG-CB 4.06Å; L233-M241 HydrophobicContact CD2-SD 4.17Å; L233-W244 HydrophobicContact CD2-CB 3.61Å; L233-W244 HydrophobicContact CD2-CG 4.26Å
234E84.1Confident89.4Confident81 Ų8166.3 Ų66.338%0.37932%0.323SS..Hα-helixtrans-63.9-27.8178.8-70.4-172.3128.600113W177 F230 R231 H236 Q276W177-E234 HydrophobicContact CZ2-CG 4.21Å; F230-E234 HydrophobicContact CD1-CG 4.44Å; F230-E234 HydrophobicContact CE1-CG 3.96Å; F230-E234 WeakPolarHBondContact CE1-OE1 3.48Å; F230-E234 HydrophobicContact CE2-CG 4.19Å; F230-E234 HydrophobicContact CZ-CG 3.82Å; F230-E234 WeakPolarHBondContact CZ-OE1 3.3Å; F230-E234 PolarHBondContact O-N 2.67Å; R231-E234 PolarHBondContact O-N 3.42Å; E234-H236 VanDerWaalsContact C-N 3.29Å; E234-Q276 PolarHBondContact O-NE2 3.23Å
235Q86.3Confident89.4Confident111 Ų11167.2 Ų67.252%0.51933%0.325SS..THydrogen-bonded Turntrans-87.24.1175.2-68.3179.2-11.800113.3R231 Q232 L233 E237R231-Q235 WeakPolarHBondContact O-CB 3.45Å; R231-Q235 WeakPolarHBondContact O-CG 3.38Å; R231-Q235 PolarHBondContact O-N 2.92Å; Q232-Q235 PolarHBondContact O-N 3.47Å; L233-Q235 PolarHBondContact O-N 2.7Å; Q235-E237 VanDerWaalsContact C-N 3.26Å; Q235-E237 HydrophobicContact CB-CG 4.34Å; Q235-E237 PolarHBondContact O-N 3.48Å
236H86.6Confident89.4Confident109 Ų10969.1 Ų69.151%0.50533%0.328SS..THydrogen-bonded Turntrans54.437.1-178-58.8-62.8000113.9Q232 L233 E234 N238 M241 Q276Q232-H236 PolarHBondContact O-N 3.21Å; L233-H236 PolarHBondContact O-N 3.28Å; E234-H236 VanDerWaalsContact C-N 3.29Å; H236-N238 PolarHBondContact O-N 2.66Å; H236-M241 HydrophobicContact CB-CG 4.32Å; H236-Q276 PolarHBondContact CE1-OE1 3.09Å
237E92.4Very high89.4Confident73 Ų7369.2 Ų69.234%0.34133%0.328SS..  trans-66.1132175.7-67.6-170.8-158.800111Q232 Q235 Q239 A240 M241Q232-E237 HydrophobicContact CB-CB 4.19Å; Q232-E237 HydrophobicContact CB-CG 4.26Å; Q232-E237 WeakPolarHBondContact CG-OE2 3.13Å; Q232-E237 PolarHBondContact O-N 2.8Å; Q235-E237 VanDerWaalsContact C-N 3.26Å; Q235-E237 HydrophobicContact CB-CG 4.34Å; Q235-E237 PolarHBondContact O-N 3.48Å; E237-Q239 VanDerWaalsContact C-N 3.31Å; E237-Q239 PolarHBondContact O-N 2.89Å; E237-Q239 VanDerWaalsContact O-N 3.16Å; E237-A240 PolarHBondContact O-N 3.31Å; E237-M241 WeakPolarHBondContact O-CB 3.43Å; E237-M241 WeakPolarHBondContact O-CG 3.27Å; E237-M241 PolarHBondContact O-N 3.19Å
238N91.4Very high89.5Confident147 Ų14764.4 Ų64.479%0.78631%0.31SS*.Hα-helixtrans-52.4-43.4-169.8-72.4-26.4000113.9H236 S242H236-N238 PolarHBondContact O-N 2.66Å; N238-S242 VanDerWaalsContact O-CB 3.25Å; N238-S242 WeakPolarHBondContact O-CB 3.49Å; N238-S242 PolarHBondContact O-N 3.17Å
239Q88.6Confident89.6Confident170 Ų17066 Ų6679%0.79432%0.315SS*.Hα-helixtrans-70.1-44.7-176.4-173.5176.1-2.300112E237 S242 L243E237-Q239 VanDerWaalsContact C-N 3.31Å; E237-Q239 PolarHBondContact O-N 2.89Å; E237-Q239 VanDerWaalsContact O-N 3.16Å; Q239-S242 PolarHBondContact O-N 3.38Å; Q239-L243 PolarHBondContact O-N 2.83Å; Q239-L243 VanDerWaalsContact O-N 3.12Å
240A88.6Confident89.5Confident1 Ų166.8 Ų66.81%0.00832%0.32CS..Hα-helixtrans-65.4-46.1178.200000110.8F229 Q232 L233 E237 S242 L243 W244F229-A240 HydrophobicContact CE2-CB 4.19Å; F229-A240 HydrophobicContact CZ-CB 4.13Å; Q232-A240 HydrophobicContact CB-CB 3.78Å; L233-A240 VanDerWaalsContact CD2-C 3.43Å; L233-A240 HydrophobicContact CD2-CB 3.77Å; L233-A240 VanDerWaalsContact CD2-O 3.28Å; L233-A240 WeakPolarHBondContact CD2-O 3.33Å; L233-A240 HydrophobicContact CG-CB 4.06Å; E237-A240 PolarHBondContact O-N 3.31Å; A240-S242 PolarHBondContact O-N 3.02Å; A240-L243 PolarHBondContact O-N 2.88Å; A240-W244 PolarHBondContact O-N 3.22Å
241M90.5Very high89.5Confident40 Ų4065.2 Ų65.220%0.19731%0.313CS..Hα-helixtrans-60.9-41.8176.9-72.3-59.3-60.900112.4W177 L233 H236 E237 L243 W244 Q245W177-M241 HydrophobicContact CH2-SD 4.34Å; L233-M241 HydrophobicContact CD2-SD 4.17Å; H236-M241 HydrophobicContact CB-CG 4.32Å; E237-M241 WeakPolarHBondContact O-CB 3.43Å; E237-M241 WeakPolarHBondContact O-CG 3.27Å; E237-M241 PolarHBondContact O-N 3.19Å; M241-L243 VanDerWaalsContact C-N 3.34Å; M241-L243 PolarHBondContact O-N 3.17Å; M241-W244 HydrophobicContact CE-CE3 3.79Å; M241-W244 HydrophobicContact CE-CZ3 3.84Å; M241-W244 PolarHBondContact O-N 3.34Å; M241-Q245 VanDerWaalsContact O-CB 3.3Å; M241-Q245 WeakPolarHBondContact O-CB 3.22Å; M241-Q245 PolarHBondContact O-N 2.95Å
242S91.6Very high89.7Confident73 Ų7361.1 Ų61.151%0.5130%0.299SS..Hα-helixtrans-62.3-41.4176.8-175.70000112N238 Q239 A240 Q246N238-S242 VanDerWaalsContact O-CB 3.25Å; N238-S242 WeakPolarHBondContact O-CB 3.49Å; N238-S242 PolarHBondContact O-N 3.17Å; Q239-S242 PolarHBondContact O-N 3.38Å; A240-S242 PolarHBondContact O-N 3.02Å; S242-Q246 WeakPolarHBondContact O-CB 3.48Å; S242-Q246 PolarHBondContact O-N 3.35Å
243L89.3Confident89.8Confident28 Ų2865.4 Ų65.415%0.14732%0.317CS..Hα-helixtrans-69.3-43.2179.2-171.463.7000111.4F188 F229 Q239 A240 M241 Q245 Q246 F247F188-L243 HydrophobicContact CD1-CD1 4.29Å; F188-L243 HydrophobicContact CE1-CD1 4.49Å; F229-L243 HydrophobicContact CE2-CD2 3.97Å; F229-L243 HydrophobicContact CZ-CB 4.38Å; F229-L243 HydrophobicContact CZ-CD2 3.83Å; Q239-L243 PolarHBondContact O-N 2.83Å; Q239-L243 VanDerWaalsContact O-N 3.12Å; A240-L243 PolarHBondContact O-N 2.88Å; M241-L243 VanDerWaalsContact C-N 3.34Å; M241-L243 PolarHBondContact O-N 3.17Å; L243-Q245 PolarHBondContact O-N 3.15Å; L243-Q246 PolarHBondContact O-N 3.29Å; L243-F247 HydrophobicContact CD1-CD1 4.38Å; L243-F247 HydrophobicContact CD1-CE1 3.58Å; L243-F247 HydrophobicContact CD1-CE2 4.17Å; L243-F247 HydrophobicContact CD1-CZ 3.45Å; L243-F247 VanDerWaalsContact CD1-CZ 3.45Å; L243-F247 HydrophobicContact CD2-CE2 4.11Å; L243-F247 HydrophobicContact CD2-CZ 3.97Å; L243-F247 HydrophobicContact CG-CD2 4.41Å; L243-F247 HydrophobicContact CG-CE1 4.08Å; L243-F247 HydrophobicContact CG-CE2 3.77Å; L243-F247 HydrophobicContact CG-CZ 3.57Å; L243-F247 WeakPolarHBondContact O-CG 3.48Å; L243-F247 PolarHBondContact O-N 3.15Å
244W90.8Very high89.9Confident23 Ų2367.8 Ų67.89%0.08733%0.328CS..Hα-helixtrans-58.5-47.4173.7164.884.4000111.8D176 F181 L233 A240 M241 Q246 F247 R248 S273 F274D176-W244 PolarHBondContact O-NE1 3.42Å; F181-W244 AromaticContact CD1-CD1 3.65Å; F181-W244 AromaticContact CE1-CD1 3.65Å; L233-W244 HydrophobicContact CD2-CB 3.61Å; L233-W244 HydrophobicContact CD2-CG 4.26Å; A240-W244 PolarHBondContact O-N 3.22Å; M241-W244 HydrophobicContact CE-CE3 3.79Å; M241-W244 HydrophobicContact CE-CZ3 3.84Å; M241-W244 PolarHBondContact O-N 3.34Å; W244-Q246 VanDerWaalsContact C-N 3.33Å; W244-Q246 PolarHBondContact O-N 3.49Å; W244-F247 PolarHBondContact O-N 3.44Å; W244-R248 WeakPolarHBondContact O-CB 3.29Å; W244-R248 PolarHBondContact O-N 3.21Å; W244-S273 VanDerWaalsContact CZ2-OG 3.3Å; W244-S273 WeakPolarHBondContact CZ2-OG 3.44Å; W244-F274 HydrophobicContact CH2-CE1 4.34Å
245Q91.5Very high90.2Very high98 Ų9864.1 Ų64.146%0.45831%0.311SS..Hα-helixtrans-61.2-44.5179.4-178.6174.2-600110.8M241 L243 F247 R248 E249M241-Q245 VanDerWaalsContact O-CB 3.3Å; M241-Q245 WeakPolarHBondContact O-CB 3.22Å; M241-Q245 PolarHBondContact O-N 2.95Å; L243-Q245 PolarHBondContact O-N 3.15Å; Q245-F247 PolarHBondContact O-N 3.21Å; Q245-R248 PolarHBondContact O-N 3.43Å; Q245-E249 HydrophobicContact CG-CG 4.27Å; Q245-E249 VanDerWaalsContact CG-OE1 3.27Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.22Å; Q245-E249 PolarHBondContact NE2-OE1 3.4Å; Q245-E249 WeakPolarHBondContact O-CB 3.26Å; Q245-E249 VanDerWaalsContact O-CG 3.31Å; Q245-E249 WeakPolarHBondContact O-CG 3.43Å; Q245-E249 PolarHBondContact O-N 3.49Å
246Q90.7Very high90.5Very high78 Ų7863.3 Ų63.336%0.36431%0.307SS..Hα-helixtrans-57.7-48.6175.7-177-179.116.700111.7S242 L243 W244 R248 E249 I250S242-Q246 WeakPolarHBondContact O-CB 3.48Å; S242-Q246 PolarHBondContact O-N 3.35Å; L243-Q246 PolarHBondContact O-N 3.29Å; W244-Q246 VanDerWaalsContact C-N 3.33Å; W244-Q246 PolarHBondContact O-N 3.49Å; Q246-R248 VanDerWaalsContact C-N 3.34Å; Q246-R248 PolarHBondContact O-N 2.97Å; Q246-E249 PolarHBondContact O-N 3.12Å; Q246-I250 HydrophobicContact CG-CD1 3.8Å; Q246-I250 WeakPolarHBondContact O-CB 3.46Å; Q246-I250 WeakPolarHBondContact O-CG1 3.14Å; Q246-I250 PolarHBondContact O-N 3.35Å
247F89.4Confident90.8Very high2 Ų262.9 Ų62.91%0.00931%0.305CS..Hα-helixtrans-63-42178.7-66.3-12000111.9F181 L184 F188 L197 L205 L243 W244 Q245 T251F181-F247 HydrophobicContact CE1-CB 4.31Å; F181-F247 HydrophobicContact CE1-CD2 4.21Å; L184-F247 HydrophobicContact CD2-CD2 3.88Å; L184-F247 HydrophobicContact CD2-CE2 4.23Å; L184-F247 HydrophobicContact CG-CD2 4.15Å; L184-F247 HydrophobicContact CG-CE2 3.99Å; F188-F247 HydrophobicContact CB-CE2 4.35Å; F188-F247 HydrophobicContact CB-CZ 3.82Å; F188-F247 HydrophobicContact CD1-CE1 4.39Å; F188-F247 AromaticContact CD1-CZ 3.89Å; F188-F247 HydrophobicContact CD1-CZ 3.89Å; F188-F247 HydrophobicContact CD2-CE1 4.05Å; F188-F247 AromaticContact CD2-CZ 3.65Å; F188-F247 HydrophobicContact CD2-CZ 3.65Å; F188-F247 HydrophobicContact CE1-CE1 4.43Å; F188-F247 HydrophobicContact CE1-CZ 4.38Å; F188-F247 HydrophobicContact CE2-CE1 4.09Å; F188-F247 HydrophobicContact CE2-CZ 4.16Å; F188-F247 HydrophobicContact CG-CE1 4.21Å; F188-F247 HydrophobicContact CG-CE2 4.47Å; F188-F247 AromaticContact CG-CZ 3.51Å; F188-F247 HydrophobicContact CG-CZ 3.51Å; F188-F247 HydrophobicContact CZ-CE1 4.29Å; L197-F247 HydrophobicContact CD2-CE1 4.3Å; L205-F247 HydrophobicContact CD2-CD1 3.84Å; L205-F247 HydrophobicContact CD2-CD2 4.38Å; L205-F247 HydrophobicContact CD2-CE1 3.8Å; L205-F247 HydrophobicContact CD2-CE2 4.34Å; L205-F247 HydrophobicContact CD2-CG 4.15Å; L205-F247 HydrophobicContact CD2-CZ 4.06Å; L243-F247 HydrophobicContact CD1-CD1 4.38Å; L243-F247 HydrophobicContact CD1-CE1 3.58Å; L243-F247 HydrophobicContact CD1-CE2 4.17Å; L243-F247 HydrophobicContact CD1-CZ 3.45Å; L243-F247 VanDerWaalsContact CD1-CZ 3.45Å; L243-F247 HydrophobicContact CD2-CE2 4.11Å; L243-F247 HydrophobicContact CD2-CZ 3.97Å; L243-F247 HydrophobicContact CG-CD2 4.41Å; L243-F247 HydrophobicContact CG-CE1 4.08Å; L243-F247 HydrophobicContact CG-CE2 3.77Å; L243-F247 HydrophobicContact CG-CZ 3.57Å; L243-F247 WeakPolarHBondContact O-CG 3.48Å; L243-F247 PolarHBondContact O-N 3.15Å; W244-F247 PolarHBondContact O-N 3.44Å; Q245-F247 PolarHBondContact O-N 3.21Å; F247-T251 WeakPolarHBondContact O-CB 3.39Å; F247-T251 PolarHBondContact O-N 2.69Å; F247-T251 PolarHBondContact O-OG1 3.45Å
248R91.4Very high90.8Very high33 Ų3359.6 Ų59.613%0.12529%0.29CS..Hα-helixtrans-63.3-48.4178-173.7-178.1-176.7-74.2-4.5111.7I139 D176 W244 Q245 Q246 T251 V252 F269 S270 F274I139-R248 HydrophobicContact CD1-CB 4.22Å; I139-R248 HydrophobicContact CD1-CG 4.29Å; D176-R248 WeakPolarHBondContact OD2-CD 3.49Å; D176-R248 IonicContact OD2-CZ 3.61Å; D176-R248 IonicContact OD2-NE 3.84Å; D176-R248 PolarHBondContact OD2-NE 3.04Å; D176-R248 IonicContact OD2-NH2 2.8Å; W244-R248 WeakPolarHBondContact O-CB 3.29Å; W244-R248 PolarHBondContact O-N 3.21Å; Q245-R248 PolarHBondContact O-N 3.43Å; Q246-R248 VanDerWaalsContact C-N 3.34Å; Q246-R248 PolarHBondContact O-N 2.97Å; R248-T251 PolarHBondContact O-N 2.87Å; R248-V252 HydrophobicContact CG-CG2 4.38Å; R248-V252 WeakPolarHBondContact O-CB 3.44Å; R248-V252 VanDerWaalsContact O-CG2 3.23Å; R248-V252 WeakPolarHBondContact O-CG2 3.33Å; R248-V252 PolarHBondContact O-N 2.96Å; R248-F269 PolarHBondContact NH2-O 3.24Å; R248-S270 PolarHBondContact NH2-O 3.38Å; R248-F274 VanDerWaalsContact NH2-CZ 3.34Å
249E91.9Very high91Very high109 Ų10952.8 Ų52.851%0.50925%0.253SS..Hα-helixtrans-61.5-45.3-178.9-75.8176-175.900111.9Q245 Q246 V252 K253Q245-E249 HydrophobicContact CG-CG 4.27Å; Q245-E249 VanDerWaalsContact CG-OE1 3.27Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.22Å; Q245-E249 PolarHBondContact NE2-OE1 3.4Å; Q245-E249 WeakPolarHBondContact O-CB 3.26Å; Q245-E249 VanDerWaalsContact O-CG 3.31Å; Q245-E249 WeakPolarHBondContact O-CG 3.43Å; Q245-E249 PolarHBondContact O-N 3.49Å; Q246-E249 PolarHBondContact O-N 3.12Å; E249-V252 PolarHBondContact O-N 3.25Å; E249-K253 WeakPolarHBondContact O-CB 3.31Å; E249-K253 PolarHBondContact O-N 2.98Å
250I90.1Very high91.4Very high37 Ų3752.5 Ų52.519%0.1925%0.249CC..Hα-helixtrans-60.2-51.5175.7-72173.5000110.1L197 P201 Q246 V252 K253 E254L197-I250 HydrophobicContact CD1-CD1 4.41Å; L197-I250 HydrophobicContact CD2-CD1 3.99Å; L197-I250 HydrophobicContact CG-CD1 4.07Å; P201-I250 HydrophobicContact CB-CG2 3.1Å; P201-I250 HydrophobicContact CG-CG2 3.67Å; Q246-I250 HydrophobicContact CG-CD1 3.8Å; Q246-I250 WeakPolarHBondContact O-CB 3.46Å; Q246-I250 WeakPolarHBondContact O-CG1 3.14Å; Q246-I250 PolarHBondContact O-N 3.35Å; I250-V252 VanDerWaalsContact C-N 3.35Å; I250-V252 PolarHBondContact O-N 3.34Å; I250-K253 WeakPolarHBondContact O-CB 3.4Å; I250-K253 PolarHBondContact O-N 3.05Å; I250-E254 WeakPolarHBondContact O-CG 3.28Å; I250-E254 PolarHBondContact O-N 3.44Å
251T89.1Confident91.6Very high1 Ų154.2 Ų54.21%0.00626%0.256CS..Hα-helixtrans-62.8-40.4-178.5-64.90000112.4I139 L202 F247 R248 K253 E254 Y255I139-T251 HydrophobicContact CB-CG2 3.69Å; I139-T251 HydrophobicContact CG2-CG2 3.55Å; L202-T251 HydrophobicContact CD2-CG2 3.86Å; F247-T251 WeakPolarHBondContact O-CB 3.39Å; F247-T251 PolarHBondContact O-N 2.69Å; F247-T251 PolarHBondContact O-OG1 3.45Å; R248-T251 PolarHBondContact O-N 2.87Å; T251-K253 VanDerWaalsContact C-N 3.33Å; T251-K253 PolarHBondContact O-N 3.41Å; T251-E254 PolarHBondContact O-N 2.79Å; T251-Y255 HydrophobicContact CG2-CD1 4.34Å; T251-Y255 HydrophobicContact CG2-CD2 3.84Å; T251-Y255 HydrophobicContact CG2-CE1 3.91Å; T251-Y255 HydrophobicContact CG2-CE2 3.36Å; T251-Y255 HydrophobicContact CG2-CG 4.31Å; T251-Y255 VanDerWaalsContact CG2-CZ 3.4Å; T251-Y255 WeakPolarHBondContact O-CB 3.29Å; T251-Y255 VanDerWaalsContact O-CG 3.3Å; T251-Y255 PolarHBondContact O-N 3.29Å
252V92.2Very high91.9Very high15 Ų1552.6 Ų52.69%0.09125%0.248CC..Hα-helixtrans-60.1-43.8175.41680000111.1L174 R248 E249 I250 Y255 Q256 F269L174-V252 HydrophobicContact CD1-CG2 3.58Å; R248-V252 HydrophobicContact CG-CG2 4.38Å; R248-V252 WeakPolarHBondContact O-CB 3.44Å; R248-V252 VanDerWaalsContact O-CG2 3.23Å; R248-V252 WeakPolarHBondContact O-CG2 3.33Å; R248-V252 PolarHBondContact O-N 2.96Å; E249-V252 PolarHBondContact O-N 3.25Å; I250-V252 VanDerWaalsContact C-N 3.35Å; I250-V252 PolarHBondContact O-N 3.34Å; V252-Y255 PolarHBondContact O-N 3.43Å; V252-Q256 HydrophobicContact CG1-CG 4.47Å; V252-Q256 VanDerWaalsContact O-CG 3.28Å; V252-Q256 WeakPolarHBondContact O-CG 3.25Å; V252-Q256 PolarHBondContact O-N 3.21Å; V252-F269 HydrophobicContact CG1-CB 4.44Å; V252-F269 HydrophobicContact CG1-CD1 3.91Å; V252-F269 HydrophobicContact CG1-CD2 4.23Å; V252-F269 HydrophobicContact CG1-CE1 4.18Å; V252-F269 HydrophobicContact CG1-CE2 4.5Å; V252-F269 HydrophobicContact CG1-CG 3.93Å; V252-F269 HydrophobicContact CG1-CZ 4.47Å; V252-F269 HydrophobicContact CG2-CD1 4.28Å
253K91.7Very high92Very high144 Ų14451.2 Ų51.263%0.62625%0.245SC*.Hα-helixtrans-62.4-43.1179.1-173.1-176.1177-170.40112E249 I250 T251 Q256 H257E249-K253 WeakPolarHBondContact O-CB 3.31Å; E249-K253 PolarHBondContact O-N 2.98Å; I250-K253 WeakPolarHBondContact O-CB 3.4Å; I250-K253 PolarHBondContact O-N 3.05Å; T251-K253 VanDerWaalsContact C-N 3.33Å; T251-K253 PolarHBondContact O-N 3.41Å; K253-Q256 WeakPolarHBondContact O-CB 3.35Å; K253-Q256 PolarHBondContact O-N 3.04Å; K253-H257 PolarHBondContact O-N 3.29Å
254E89.1Confident92.4Very high51 Ų5150.3 Ų50.324%0.23824%0.24CC..Hα-helixtrans-67.7-42177.5-64.1-54.6133.100111.6P201 L202 I250 T251 Q256 H257 V258P201-E254 HydrophobicContact CG-CG 4.19Å; L202-E254 HydrophobicContact CD1-CB 3.55Å; L202-E254 HydrophobicContact CD1-CG 4.33Å; L202-E254 HydrophobicContact CD2-CB 4.1Å; L202-E254 HydrophobicContact CD2-CG 4.46Å; L202-E254 HydrophobicContact CG-CB 3.66Å; L202-E254 HydrophobicContact CG-CG 3.94Å; I250-E254 WeakPolarHBondContact O-CG 3.28Å; I250-E254 PolarHBondContact O-N 3.44Å; T251-E254 PolarHBondContact O-N 2.79Å; E254-Q256 VanDerWaalsContact C-N 3.32Å; E254-Q256 PolarHBondContact O-N 2.69Å; E254-H257 VanDerWaalsContact O-CB 3.3Å; E254-H257 WeakPolarHBondContact O-CB 3.37Å; E254-H257 PolarHBondContact O-N 3.12Å; E254-H257 VanDerWaalsContact O-N 3.09Å; E254-V258 PolarHBondContact O-N 2.94Å
255Y91.5Very high92.6Very high3 Ų353.8 Ų53.81%0.01226%0.257CS..Hα-helixtrans-61.9-39.1174-70.5-12.4000112.9P137 I139 F143 L174 L202 T251 V252 H257 V258 Y259P137-Y255 HydrophobicContact CB-CE2 4.13Å; P137-Y255 HydrophobicContact CG-CD2 3.89Å; P137-Y255 HydrophobicContact CG-CE2 3.31Å; I139-Y255 HydrophobicContact CG2-CE2 3.99Å; F143-Y255 HydrophobicContact CB-CD1 4.48Å; F143-Y255 HydrophobicContact CB-CE1 3.64Å; F143-Y255 HydrophobicContact CD1-CD1 4.13Å; F143-Y255 HydrophobicContact CD1-CE1 4.1Å; F143-Y255 HydrophobicContact CD2-CE1 4.49Å; F143-Y255 HydrophobicContact CG-CD1 4.35Å; F143-Y255 AromaticContact CG-CE1 3.87Å; F143-Y255 HydrophobicContact CG-CE1 3.87Å; L174-Y255 HydrophobicContact CD2-CD2 4.23Å; L174-Y255 HydrophobicContact CD2-CE2 4.15Å; L202-Y255 HydrophobicContact CD1-CD1 4.21Å; L202-Y255 HydrophobicContact CD1-CE1 4.08Å; L202-Y255 HydrophobicContact CD2-CE1 4.32Å; T251-Y255 HydrophobicContact CG2-CD1 4.34Å; T251-Y255 HydrophobicContact CG2-CD2 3.84Å; T251-Y255 HydrophobicContact CG2-CE1 3.91Å; T251-Y255 HydrophobicContact CG2-CE2 3.36Å; T251-Y255 HydrophobicContact CG2-CG 4.31Å; T251-Y255 VanDerWaalsContact CG2-CZ 3.4Å; T251-Y255 WeakPolarHBondContact O-CB 3.29Å; T251-Y255 VanDerWaalsContact O-CG 3.3Å; T251-Y255 PolarHBondContact O-N 3.29Å; V252-Y255 PolarHBondContact O-N 3.43Å; Y255-H257 PolarHBondContact O-N 2.9Å; Y255-V258 PolarHBondContact O-N 3.3Å; Y255-V258 VanDerWaalsContact O-N 3.16Å; Y255-Y259 HydrophobicContact CG-CE2 4.44Å; Y255-Y259 WeakPolarHBondContact O-CB 3.34Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.35Å; Y255-Y259 VanDerWaalsContact O-CG 3.31Å; Y255-Y259 PolarHBondContact O-N 2.8Å
256Q93.2Very high92.9Very high95 Ų9550.1 Ų50.144%0.44424%0.24SC..Hα-helixtrans-57.7-36.5173.9-76.7174.1-14.200112.1V252 K253 E254 K260 F269V252-Q256 HydrophobicContact CG1-CG 4.47Å; V252-Q256 VanDerWaalsContact O-CG 3.28Å; V252-Q256 WeakPolarHBondContact O-CG 3.25Å; V252-Q256 PolarHBondContact O-N 3.21Å; K253-Q256 WeakPolarHBondContact O-CB 3.35Å; K253-Q256 PolarHBondContact O-N 3.04Å; E254-Q256 VanDerWaalsContact C-N 3.32Å; E254-Q256 PolarHBondContact O-N 2.69Å; Q256-K260 VanDerWaalsContact O-CB 3.25Å; Q256-K260 WeakPolarHBondContact O-CB 3.32Å; Q256-K260 PolarHBondContact O-N 2.99Å; Q256-F269 HydrophobicContact CG-CE1 4.37Å; Q256-F269 HydrophobicContact CG-CE2 3.9Å; Q256-F269 HydrophobicContact CG-CZ 3.53Å
257H92.2Very high93.3Very high100 Ų10050.4 Ų50.446%0.46324%0.244SC..Hα-helixtrans-62-51174.1-173.273.5000111.3K253 E254 Y255 Y259 K260 R261 E397K253-H257 PolarHBondContact O-N 3.29Å; E254-H257 VanDerWaalsContact O-CB 3.3Å; E254-H257 WeakPolarHBondContact O-CB 3.37Å; E254-H257 PolarHBondContact O-N 3.12Å; E254-H257 VanDerWaalsContact O-N 3.09Å; Y255-H257 PolarHBondContact O-N 2.9Å; H257-Y259 PolarHBondContact O-N 2.95Å; H257-K260 WeakPolarHBondContact O-CB 3.42Å; H257-K260 PolarHBondContact O-N 3.41Å; H257-R261 WeakPolarHBondContact O-CG 3.46Å; H257-R261 PolarHBondContact O-N 3.11Å; H257-R261 VanDerWaalsContact O-N 3.13Å; H257-E397 IonicContact CD2-OE1 3.97Å
258V92.8Very high93.6Very high4 Ų451.7 Ų51.72%0.02425%0.252CS..Hα-helixtrans-63.8-42.7179.9-177.50000111.8F143 E254 Y255 K260 R261 L262 L396 L400F143-V258 HydrophobicContact CD1-CG1 4.39Å; F143-V258 HydrophobicContact CE1-CB 4.41Å; F143-V258 HydrophobicContact CE1-CG1 3.92Å; E254-V258 PolarHBondContact O-N 2.94Å; Y255-V258 PolarHBondContact O-N 3.3Å; Y255-V258 VanDerWaalsContact O-N 3.16Å; V258-K260 VanDerWaalsContact C-N 3.33Å; V258-K260 PolarHBondContact O-N 2.85Å; V258-R261 WeakPolarHBondContact O-CB 3.45Å; V258-R261 PolarHBondContact O-N 3.34Å; V258-L262 PolarHBondContact O-N 2.9Å; V258-L396 HydrophobicContact CG1-CB 4.49Å; V258-L396 HydrophobicContact CG1-CD2 3.97Å; V258-L396 HydrophobicContact CG1-CG 4.14Å; V258-L400 HydrophobicContact CG1-CD1 4.2Å
259Y95.7Very high93.9Very high3 Ų351.9 Ų51.91%0.01225%0.253CS..Hα-helixtrans-63.3-39176-66.5-49000112.1S135 F143 T151 N172 Y255 H257 R261 L262 G263 I264 F266 F269S135-Y259 VanDerWaalsContact CB-OH 3.29Å; S135-Y259 WeakPolarHBondContact CB-OH 3.34Å; S135-Y259 WeakPolarHBondContact OG-CE1 3.37Å; S135-Y259 PolarHBondContact OG-OH 2.91Å; F143-Y259 HydrophobicContact CE1-CE1 4.32Å; F143-Y259 AromaticContact CZ-CE1 3.75Å; F143-Y259 HydrophobicContact CZ-CE1 3.75Å; F143-Y259 AromaticContact CZ-CZ 3.95Å; T151-Y259 HydrophobicContact CG2-CD1 3.82Å; T151-Y259 HydrophobicContact CG2-CE1 3.68Å; N172-Y259 VanDerWaalsContact ND2-CE2 3.32Å; N172-Y259 WeakPolarHBondContact ND2-CE2 3.45Å; N172-Y259 PolarHBondContact ND2-OH 3.38Å; Y255-Y259 HydrophobicContact CG-CE2 4.44Å; Y255-Y259 WeakPolarHBondContact O-CB 3.34Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.35Å; Y255-Y259 VanDerWaalsContact O-CG 3.31Å; Y255-Y259 PolarHBondContact O-N 2.8Å; H257-Y259 PolarHBondContact O-N 2.95Å; Y259-R261 VanDerWaalsContact C-N 3.31Å; Y259-R261 PolarHBondContact O-N 3.42Å; Y259-L262 CarbonylContact O-C 3.36Å; Y259-L262 WeakPolarHBondContact O-CA 3.25Å; Y259-L262 WeakPolarHBondContact O-CB 3.43Å; Y259-L262 PolarHBondContact O-N 2.79Å; Y259-L262 VanDerWaalsContact O-N 3.09Å; Y259-G263 PolarHBondContact O-N 3.14Å; Y259-I264 CarbonylContact C-O 3.56Å; Y259-I264 HydrophobicContact CD1-CG2 4.49Å; Y259-I264 PolarHBondContact O-N 2.93Å; Y259-F266 AromaticContact CD1-CE2 3.77Å; Y259-F266 HydrophobicContact CD1-CE2 3.77Å; Y259-F266 AromaticContact CD2-CD2 3.76Å; Y259-F266 HydrophobicContact CD2-CD2 3.76Å; Y259-F266 AromaticContact CD2-CE2 3.51Å; Y259-F266 HydrophobicContact CD2-CE2 3.51Å; Y259-F266 AromaticContact CE1-CE2 3.7Å; Y259-F266 HydrophobicContact CE1-CE2 3.7Å; Y259-F266 HydrophobicContact CE1-CZ 4.23Å; Y259-F266 AromaticContact CE2-CD2 3.92Å; Y259-F266 HydrophobicContact CE2-CD2 3.92Å; Y259-F266 AromaticContact CE2-CE2 3.42Å; Y259-F266 HydrophobicContact CE2-CE2 3.42Å; Y259-F266 VanDerWaalsContact CE2-CE2 3.42Å; Y259-F266 HydrophobicContact CE2-CZ 4.39Å; Y259-F266 HydrophobicContact CG-CD2 4.19Å; Y259-F266 AromaticContact CG-CE2 3.7Å; Y259-F266 HydrophobicContact CG-CE2 3.7Å; Y259-F266 AromaticContact CZ-CE2 3.55Å; Y259-F269 HydrophobicContact CD2-CE1 4.49Å; Y259-F269 HydrophobicContact CD2-CZ 4.49Å; Y259-F269 HydrophobicContact CE2-CE1 4.21Å
260K95.3Very high94Very high165 Ų16547 Ų4772%0.71723%0.232SC*.Hα-helixtrans-61-40.3175.8-177.6179.7178.3-177.30111.8Q256 H257 V258 L262 G263Q256-K260 VanDerWaalsContact O-CB 3.25Å; Q256-K260 WeakPolarHBondContact O-CB 3.32Å; Q256-K260 PolarHBondContact O-N 2.99Å; H257-K260 WeakPolarHBondContact O-CB 3.42Å; H257-K260 PolarHBondContact O-N 3.41Å; V258-K260 VanDerWaalsContact C-N 3.33Å; V258-K260 PolarHBondContact O-N 2.85Å; K260-L262 VanDerWaalsContact C-N 3.26Å; K260-L262 PolarHBondContact O-N 3.23Å; K260-G263 PolarHBondContact O-N 3.23Å
261R94.5Very high94.2Very high37 Ų3745.3 Ų45.314%0.1422%0.223CC..Hα-helixtrans-58.6-39.5174.2-65176.763.8-179.72.3111.7H257 V258 Y259 G263 E397 L400 D401 E428 I432H257-R261 WeakPolarHBondContact O-CG 3.46Å; H257-R261 PolarHBondContact O-N 3.11Å; H257-R261 VanDerWaalsContact O-N 3.13Å; V258-R261 WeakPolarHBondContact O-CB 3.45Å; V258-R261 PolarHBondContact O-N 3.34Å; Y259-R261 VanDerWaalsContact C-N 3.31Å; Y259-R261 PolarHBondContact O-N 3.42Å; R261-G263 PolarHBondContact O-N 3.36Å; R261-E397 IonicContact CZ-OE1 3.3Å; R261-E397 IonicContact NH1-OE1 3.11Å; R261-E397 PolarHBondContact NH1-OE1 2.71Å; R261-L400 HydrophobicContact CB-CD1 4.04Å; R261-D401 IonicContact CZ-OD1 3.16Å; R261-D401 IonicContact NH1-OD1 2.97Å; R261-D401 PolarHBondContact NH1-OD1 3.37Å; R261-D401 VanDerWaalsContact NH1-OD1 3.09Å; R261-D401 IonicContact NH1-OD2 3.61Å; R261-D401 IonicContact NH2-OD1 3.18Å; R261-D401 PolarHBondContact NH2-OD1 2.74Å; R261-E428 IonicContact CZ-OE1 2.86Å; R261-E428 IonicContact NE-OE1 3.43Å; R261-E428 PolarHBondContact NE-OE1 2.89Å; R261-E428 IonicContact NH2-OE1 2.62Å; R261-E428 PolarHBondContact NH2-OE1 2.71Å; R261-I432 WeakPolarHBondContact O-CD1 3.23Å
262L95.2Very high94.3Very high6 Ų646.3 Ų46.33%0.03123%0.228CC..THydrogen-bonded Turntrans-75-2.2174.4-68.2171.9000114.5L148 T151 V258 Y259 K260 I264 L396 L400 I432L148-L262 HydrophobicContact CD1-CD1 4.44Å; L148-L262 HydrophobicContact CD1-CD2 4.27Å; T151-L262 HydrophobicContact CG2-CD1 3.82Å; V258-L262 PolarHBondContact O-N 2.9Å; Y259-L262 CarbonylContact O-C 3.36Å; Y259-L262 WeakPolarHBondContact O-CA 3.25Å; Y259-L262 WeakPolarHBondContact O-CB 3.43Å; Y259-L262 PolarHBondContact O-N 2.79Å; Y259-L262 VanDerWaalsContact O-N 3.09Å; K260-L262 VanDerWaalsContact C-N 3.26Å; K260-L262 PolarHBondContact O-N 3.23Å; L262-I264 VanDerWaalsContact C-N 3.31Å; L262-I264 HydrophobicContact CB-CD1 3.7Å; L262-I264 HydrophobicContact CB-CG1 3.83Å; L262-I264 HydrophobicContact CD1-CD1 4.1Å; L262-L396 HydrophobicContact CD1-CD2 4.11Å; L262-L400 HydrophobicContact CD2-CD1 4.2Å; L262-L400 HydrophobicContact CD2-CD2 3.74Å; L262-L400 HydrophobicContact CG-CD1 4.15Å; L262-I432 HydrophobicContact CD2-CD1 4.48Å; L262-I432 HydrophobicContact CD2-CG2 4.14Å
263G94.4Very high94.1Very high44 Ų4446.3 Ų46.345%0.45423%0.228SC..THydrogen-bonded Turntrans70.426.5-174.200000113.6Y259 K260 R261Y259-G263 PolarHBondContact O-N 3.14Å; K260-G263 PolarHBondContact O-N 3.23Å; R261-G263 PolarHBondContact O-N 3.36Å
264I96.9Very high93.9Very high8 Ų843.9 Ų43.94%0.04122%0.218CC..  trans-109.4139.7-175.7-57.1176.9000109.5F134 T151 N155 Y259 L262 F266F134-I264 HydrophobicContact CE2-CG2 3.97Å; F134-I264 HydrophobicContact CZ-CG2 4.08Å; T151-I264 HydrophobicContact CG2-CD1 3.35Å; N155-I264 HydrophobicContact CB-CD1 3.91Å; N155-I264 HydrophobicContact CB-CG1 3.98Å; Y259-I264 CarbonylContact C-O 3.56Å; Y259-I264 HydrophobicContact CD1-CG2 4.49Å; Y259-I264 PolarHBondContact O-N 2.93Å; L262-I264 VanDerWaalsContact C-N 3.31Å; L262-I264 HydrophobicContact CB-CD1 3.7Å; L262-I264 HydrophobicContact CB-CG1 3.83Å; L262-I264 HydrophobicContact CD1-CD1 4.1Å; I264-F266 HydrophobicContact CG2-CE2 4.09Å; I264-F266 HydrophobicContact CG2-CZ 4.46Å
265H95.9Very high93.7Very high97 Ų9741.8 Ų41.845%0.44921%0.208SC..  trans-127.3155.3168.367-83000109.9R170 D267R170-H265 WeakPolarHBondContact CD-O 3.45Å; R170-H265 PolarHBondContact NH1-NE2 3.48Å; H265-D267 IonicContact CD2-OD1 3.82Å
266F98.1Very high93.1Very high21 Ų2143.9 Ų43.99%0.09222%0.218CC..  trans-119.3138.4171.7-72.7-82.5000109.2F134 R170 N172 Y259 I264 F269F134-F266 AromaticContact CD1-CE1 3.87Å; F134-F266 HydrophobicContact CD1-CE1 3.87Å; F134-F266 AromaticContact CD2-CE1 3.91Å; F134-F266 HydrophobicContact CD2-CE1 3.91Å; F134-F266 AromaticContact CD2-CZ 3.79Å; F134-F266 HydrophobicContact CD2-CZ 3.79Å; F134-F266 HydrophobicContact CE1-CD1 4.09Å; F134-F266 AromaticContact CE1-CE1 3.47Å; F134-F266 HydrophobicContact CE1-CE1 3.47Å; F134-F266 VanDerWaalsContact CE1-CE1 3.47Å; F134-F266 HydrophobicContact CE1-CZ 4.2Å; F134-F266 AromaticContact CE2-CE1 3.51Å; F134-F266 HydrophobicContact CE2-CE1 3.51Å; F134-F266 HydrophobicContact CE2-CE2 4.29Å; F134-F266 AromaticContact CE2-CZ 3.33Å; F134-F266 HydrophobicContact CE2-CZ 3.33Å; F134-F266 HydrophobicContact CG-CE1 4.08Å; F134-F266 HydrophobicContact CG-CZ 4.39Å; F134-F266 AromaticContact CZ-CD1 3.98Å; F134-F266 HydrophobicContact CZ-CD1 3.98Å; F134-F266 AromaticContact CZ-CE1 3.27Å; F134-F266 HydrophobicContact CZ-CE1 3.27Å; F134-F266 HydrophobicContact CZ-CE2 4.46Å; F134-F266 AromaticContact CZ-CZ 3.56Å; F134-F266 HydrophobicContact CZ-CZ 3.56Å; R170-F266 HydrophobicContact CB-CD1 4.15Å; N172-F266 HydrophobicContact CB-CD1 3.62Å; N172-F266 HydrophobicContact CB-CD2 4.22Å; N172-F266 HydrophobicContact CB-CE1 3.66Å; N172-F266 HydrophobicContact CB-CE2 4.29Å; N172-F266 HydrophobicContact CB-CG 3.88Å; N172-F266 HydrophobicContact CB-CZ 4Å; Y259-F266 AromaticContact CD1-CE2 3.77Å; Y259-F266 HydrophobicContact CD1-CE2 3.77Å; Y259-F266 AromaticContact CD2-CD2 3.76Å; Y259-F266 HydrophobicContact CD2-CD2 3.76Å; Y259-F266 AromaticContact CD2-CE2 3.51Å; Y259-F266 HydrophobicContact CD2-CE2 3.51Å; Y259-F266 AromaticContact CE1-CE2 3.7Å; Y259-F266 HydrophobicContact CE1-CE2 3.7Å; Y259-F266 HydrophobicContact CE1-CZ 4.23Å; Y259-F266 AromaticContact CE2-CD2 3.92Å; Y259-F266 HydrophobicContact CE2-CD2 3.92Å; Y259-F266 AromaticContact CE2-CE2 3.42Å; Y259-F266 HydrophobicContact CE2-CE2 3.42Å; Y259-F266 VanDerWaalsContact CE2-CE2 3.42Å; Y259-F266 HydrophobicContact CE2-CZ 4.39Å; Y259-F266 HydrophobicContact CG-CD2 4.19Å; Y259-F266 AromaticContact CG-CE2 3.7Å; Y259-F266 HydrophobicContact CG-CE2 3.7Å; Y259-F266 AromaticContact CZ-CE2 3.55Å; I264-F266 HydrophobicContact CG2-CE2 4.09Å; I264-F266 HydrophobicContact CG2-CZ 4.46Å; F266-F269 HydrophobicContact CB-CD2 4.31Å; F266-F269 HydrophobicContact CB-CE1 4.49Å; F266-F269 HydrophobicContact CB-CE2 3.76Å; F266-F269 HydrophobicContact CB-CZ 3.87Å; F266-F269 HydrophobicContact CD2-CE1 4.19Å; F266-F269 AromaticContact CD2-CZ 3.91Å; F266-F269 HydrophobicContact CD2-CZ 3.91Å; F266-F269 HydrophobicContact CG-CZ 4.24Å
267D98.1Very high92.6Very high83 Ų8343.3 Ų43.344%0.44423%0.229SC..SBendtrans-79.2-31.7174.5-56.4-60000110.5I169 R170 H265I169-D267 HydrophobicContact CG2-CB 4.33Å; R170-D267 WeakPolarHBondContact CB-OD2 3.25Å; R170-D267 PolarHBondContact N-OD2 3.01Å; R170-D267 PolarHBondContact O-N 2.83Å; H265-D267 IonicContact CD2-OD1 3.82Å
268V97.3Very high92.4Very high30 Ų3041.9 Ų41.918%0.18222%0.223CC..EExtended strand (participates in β ladder)trans-139.5125.3-176.3-173.90000111.2I169 R170 M171 N172 Y340I169-V268 HydrophobicContact CG2-CG2 4.25Å; R170-V268 PolarHBondContact O-N 2.82Å; M171-V268 WeakPolarHBondContact CA-O 3.42Å; M171-V268 HydrophobicContact CE-CB 4.29Å; M171-V268 HydrophobicContact CE-CG1 4.15Å; N172-V268 PolarHBondContact N-O 3.14Å; V268-Y340 HydrophobicContact CG2-CE1 4.39Å
269F96.5Very high92.2Very high36 Ų3641.9 Ų41.916%0.15822%0.223CC..EExtended strand (participates in β ladder)trans-98.194164.3-70.9-92.3000109.3N172 R248 V252 Q256 Y259 F266N172-F269 HydrophobicContact CB-CD1 3.96Å; N172-F269 HydrophobicContact CB-CE1 4.21Å; R248-F269 PolarHBondContact NH2-O 3.24Å; V252-F269 HydrophobicContact CG1-CB 4.44Å; V252-F269 HydrophobicContact CG1-CD1 3.91Å; V252-F269 HydrophobicContact CG1-CD2 4.23Å; V252-F269 HydrophobicContact CG1-CE1 4.18Å; V252-F269 HydrophobicContact CG1-CE2 4.5Å; V252-F269 HydrophobicContact CG1-CG 3.93Å; V252-F269 HydrophobicContact CG1-CZ 4.47Å; V252-F269 HydrophobicContact CG2-CD1 4.28Å; Q256-F269 HydrophobicContact CG-CE1 4.37Å; Q256-F269 HydrophobicContact CG-CE2 3.9Å; Q256-F269 HydrophobicContact CG-CZ 3.53Å; Y259-F269 HydrophobicContact CD2-CE1 4.49Å; Y259-F269 HydrophobicContact CD2-CZ 4.49Å; Y259-F269 HydrophobicContact CE2-CE1 4.21Å; F266-F269 HydrophobicContact CB-CD2 4.31Å; F266-F269 HydrophobicContact CB-CE1 4.49Å; F266-F269 HydrophobicContact CB-CE2 3.76Å; F266-F269 HydrophobicContact CB-CZ 3.87Å; F266-F269 HydrophobicContact CD2-CE1 4.19Å; F266-F269 AromaticContact CD2-CZ 3.91Å; F266-F269 HydrophobicContact CD2-CZ 3.91Å; F266-F269 HydrophobicContact CG-CZ 4.24Å
270S95.3Very high91.9Very high8 Ų846.4 Ų46.46%0.05624%0.244CC..EExtended strand (participates in β ladder)trans-91.9-179.2175.8-160.40000110.6N172 L174 R248N172-S270 PolarHBondContact O-N 3.4Å; L174-S270 WeakPolarHBondContact CB-O 3.48Å; L174-S270 PolarHBondContact N-O 2.99Å; R248-S270 PolarHBondContact NH2-O 3.38Å
271G93Very high91.7Very high0 Ų043.1 Ų43.10%023%0.231CC..EExtended strand (participates in β ladder)trans-168.2167.2170.900000113.3Y173 L174 S273 F274Y173-G271 VanDerWaalsContact CE2-O 3.26Å; Y173-G271 WeakPolarHBondContact CE2-O 3.3Å; L174-G271 WeakPolarHBondContact O-CA 3.27Å; G271-S273 PolarHBondContact O-N 3.4Å; G271-F274 PolarHBondContact O-N 3.13Å; G271-F274 VanDerWaalsContact O-N 3.14Å
272E90.6Very high91.8Very high23 Ų2341.5 Ų41.511%0.10723%0.226CC..G310 helixtrans-54.6-34.6177.4-71.3-170.3-14100112.4Y173 L174 D176 W177 F274 H275 Y325 R328Y173-E272 HydrophobicContact CE1-CG 4.12Å; L174-E272 PolarHBondContact O-N 3.33Å; L174-E272 VanDerWaalsContact O-N 3.07Å; D176-E272 PolarHBondContact OD1-N 3.45Å; W177-E272 HydrophobicContact CB-CB 3.77Å; E272-F274 PolarHBondContact O-N 2.88Å; E272-H275 PolarHBondContact O-N 2.98Å; E272-Y325 WeakPolarHBondContact OE2-CD1 3.45Å; E272-Y325 WeakPolarHBondContact OE2-CE1 3.49Å; E272-R328 IonicContact OE2-CZ 3.82Å; E272-R328 IonicContact OE2-NE 2.8Å; E272-R328 PolarHBondContact OE2-NE 3.28Å; E272-R328 IonicContact OE2-NH2 3.61Å; E272-R328 PolarHBondContact OE2-NH2 3.37Å; E272-R328 VanDerWaalsContact OE2-NH2 3.16Å
273S88.4Confident91.7Very high15 Ų1541.9 Ų41.911%0.10523%0.228CC..G310 helixtrans-56.4-29.6178.3580000114D176 W177 W244 G271 H275D176-S273 VanDerWaalsContact OD1-CB 3.22Å; D176-S273 WeakPolarHBondContact OD1-CB 3.33Å; D176-S273 PolarHBondContact OD1-N 2.86Å; D176-S273 PolarHBondContact OD1-OG 2.85Å; D176-S273 PolarHBondContact OD2-OG 3.37Å; W177-S273 VanDerWaalsContact CE3-CB 3.45Å; W244-S273 VanDerWaalsContact CZ2-OG 3.3Å; W244-S273 WeakPolarHBondContact CZ2-OG 3.44Å; G271-S273 PolarHBondContact O-N 3.4Å; S273-H275 PolarHBondContact O-N 3.36Å
274F87.4Confident91.6Very high93 Ų9347.1 Ų47.141%0.40823%0.234SC..G310 helixtrans-78.1-8.8-173.7-64.8-5.6000113.9W244 R248 G271 E272 Q278W244-F274 HydrophobicContact CH2-CE1 4.34Å; R248-F274 VanDerWaalsContact NH2-CZ 3.34Å; G271-F274 PolarHBondContact O-N 3.13Å; G271-F274 VanDerWaalsContact O-N 3.14Å; E272-F274 PolarHBondContact O-N 2.88Å; F274-Q278 PolarHBondContact O-NE2 3.35Å; F274-Q278 PolarHBondContact O-OE1 2.64Å
275H85.8Confident91.6Very high7 Ų748.9 Ų48.93%0.03224%0.242CC..G310 helixtrans-116.16.8-172.8-58.1-61.4000113.5Y173 E272 S273 A277 Q278 T279 A331 A332Y173-H275 AromaticContact CE2-CD2 3.66Å; Y173-H275 AromaticContact CE2-NE2 3.85Å; E272-H275 PolarHBondContact O-N 2.98Å; S273-H275 PolarHBondContact O-N 3.36Å; H275-A277 PolarHBondContact O-N 2.86Å; H275-Q278 PolarHBondContact O-N 3.38Å; H275-Q278 PolarHBondContact O-OE1 3.43Å; H275-T279 VanDerWaalsContact O-CG2 3.26Å; H275-T279 WeakPolarHBondContact O-CG2 3.45Å; H275-T279 PolarHBondContact O-N 3.41Å; H275-T279 VanDerWaalsContact O-N 3.16Å; H275-A331 HydrophobicContact CB-CB 4.29Å; H275-A332 VanDerWaalsContact CD2-CB 3.42Å; H275-A332 WeakPolarHBondContact CD2-CB 3.13Å
276Q79.4Confident91.5Very high46 Ų4644.3 Ų44.322%0.21522%0.221CC..Hα-helixtrans-60-46.2-177.1-171.4-154.9-4.700112.2E234 H236 Q278 T279E234-Q276 PolarHBondContact O-NE2 3.23Å; H236-Q276 PolarHBondContact CE1-OE1 3.09Å; Q276-Q278 VanDerWaalsContact C-N 3.28Å; Q276-Q278 PolarHBondContact O-N 3.28Å; Q276-T279 PolarHBondContact O-N 3.3Å; Q276-T279 PolarHBondContact O-OG1 3.46Å
277A82.2Confident91.4Very high83 Ų8349.5 Ų49.569%0.68625%0.246SC*.Hα-helixtrans-65.4-35.2-179.100000111.8H275H275-A277 PolarHBondContact O-N 2.86Å
278Q88.7Confident91.3Very high70 Ų7050.1 Ų50.133%0.32726%0.257SS..Hα-helixtrans-77.6-18-177.1-59.991.4-3300112.8F274 H275 Q276 Q280 E281 V282 A331F274-Q278 PolarHBondContact O-NE2 3.35Å; F274-Q278 PolarHBondContact O-OE1 2.64Å; H275-Q278 PolarHBondContact O-N 3.38Å; H275-Q278 PolarHBondContact O-OE1 3.43Å; Q276-Q278 VanDerWaalsContact C-N 3.28Å; Q276-Q278 PolarHBondContact O-N 3.28Å; Q278-Q280 VanDerWaalsContact C-N 3.31Å; Q278-Q280 PolarHBondContact O-N 3.46Å; Q278-E281 WeakPolarHBondContact O-CB 3.27Å; Q278-E281 PolarHBondContact O-N 3.5Å; Q278-E281 VanDerWaalsContact O-N 3.17Å; Q278-V282 PolarHBondContact O-N 2.93Å; Q278-A331 HydrophobicContact CB-CB 3.88Å
279T88.2Confident91.1Very high4 Ų454.9 Ų54.93%0.02527%0.271CS..Hα-helixtrans-64.9-36.5178.361.60000112.7H275 Q276 E281 V282 V283 R328 A331H275-T279 VanDerWaalsContact O-CG2 3.26Å; H275-T279 WeakPolarHBondContact O-CG2 3.45Å; H275-T279 PolarHBondContact O-N 3.41Å; H275-T279 VanDerWaalsContact O-N 3.16Å; Q276-T279 PolarHBondContact O-N 3.3Å; Q276-T279 PolarHBondContact O-OG1 3.46Å; T279-E281 VanDerWaalsContact C-N 3.29Å; T279-E281 PolarHBondContact O-N 2.89Å; T279-V282 PolarHBondContact O-N 3.47Å; T279-V283 WeakPolarHBondContact O-CG2 3.49Å; T279-V283 PolarHBondContact O-N 2.87Å; T279-V283 VanDerWaalsContact O-N 3.11Å; T279-R328 HydrophobicContact CG2-CB 4.24Å; T279-R328 HydrophobicContact CG2-CG 3.52Å; T279-A331 HydrophobicContact CG2-CB 4.33Å
280Q88.5Confident91Very high99 Ų9955.9 Ų55.946%0.46329%0.292SS..Hα-helixtrans-68.4-32.6175.8-64.8-60.1-27.600111.4Q278 V283 R284Q278-Q280 VanDerWaalsContact C-N 3.31Å; Q278-Q280 PolarHBondContact O-N 3.46Å; Q280-V283 PolarHBondContact O-N 3.34Å; Q280-R284 WeakPolarHBondContact O-CG 3.44Å; Q280-R284 PolarHBondContact O-N 3.31Å
281E92.3Very high91Very high95 Ų9557.2 Ų57.244%0.44430%0.298SS..Hα-helixtrans-64.3-45173.1-171.559.7-16400111.5Q278 T279 V283 R284 E285Q278-E281 WeakPolarHBondContact O-CB 3.27Å; Q278-E281 PolarHBondContact O-N 3.5Å; Q278-E281 VanDerWaalsContact O-N 3.17Å; T279-E281 VanDerWaalsContact C-N 3.29Å; T279-E281 PolarHBondContact O-N 2.89Å; E281-V283 VanDerWaalsContact C-N 3.29Å; E281-V283 PolarHBondContact O-N 3.36Å; E281-R284 PolarHBondContact O-N 2.84Å; E281-R284 IonicContact OE2-CZ 2.67Å; E281-R284 IonicContact OE2-NE 3.48Å; E281-R284 PolarHBondContact OE2-NE 2.99Å; E281-R284 IonicContact OE2-NH2 3.24Å; E281-R284 PolarHBondContact OE2-NH2 2.85Å; E281-E285 WeakPolarHBondContact O-CB 3.5Å; E281-E285 PolarHBondContact O-N 3.29Å
282V94.7Very high91.1Very high4 Ų459.1 Ų59.12%0.02431%0.308CS..Hα-helixtrans-57.3-43.5175.2169.80000111.5Q278 T279 E285 L286 T327 I330 A331 I334 M367Q278-V282 PolarHBondContact O-N 2.93Å; T279-V282 PolarHBondContact O-N 3.47Å; V282-E285 PolarHBondContact O-N 3.15Å; V282-L286 HydrophobicContact CG1-CD1 4Å; V282-L286 HydrophobicContact CG1-CG 4.4Å; V282-L286 WeakPolarHBondContact O-CB 3.36Å; V282-L286 VanDerWaalsContact O-CG 3.29Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 3.37Å; V282-T327 HydrophobicContact CB-CG2 4.43Å; V282-T327 HydrophobicContact CG1-CG2 4.15Å; V282-I330 HydrophobicContact CB-CG2 4.39Å; V282-I330 HydrophobicContact CG1-CB 4.04Å; V282-I330 HydrophobicContact CG1-CD1 4.38Å; V282-I330 HydrophobicContact CG1-CG2 3.52Å; V282-I330 HydrophobicContact CG2-CB 4.5Å; V282-I330 HydrophobicContact CG2-CG2 3.89Å; V282-A331 HydrophobicContact CG2-CB 3.77Å; V282-I334 HydrophobicContact CG2-CD1 4.3Å; V282-M367 HydrophobicContact CG1-CE 4.46Å
283V93.4Very high91.2Very high14 Ų1461.4 Ų61.49%0.08532%0.318CS..Hα-helixtrans-61-48177.5167.10000111.4T279 Q280 E281 E285 L286 Q287 L292 L317 T323 T327T279-V283 WeakPolarHBondContact O-CG2 3.49Å; T279-V283 PolarHBondContact O-N 2.87Å; T279-V283 VanDerWaalsContact O-N 3.11Å; Q280-V283 PolarHBondContact O-N 3.34Å; E281-V283 VanDerWaalsContact C-N 3.29Å; E281-V283 PolarHBondContact O-N 3.36Å; V283-E285 VanDerWaalsContact C-N 3.3Å; V283-E285 PolarHBondContact O-N 3.36Å; V283-L286 PolarHBondContact O-N 3.46Å; V283-Q287 PolarHBondContact O-N 3.45Å; V283-L292 HydrophobicContact CG1-CD2 4.2Å; V283-L317 HydrophobicContact CB-CD1 4.4Å; V283-L317 HydrophobicContact CG1-CD1 3.64Å; V283-L317 HydrophobicContact CG2-CD1 3.87Å; V283-L317 HydrophobicContact CG2-CD2 3.88Å; V283-L317 HydrophobicContact CG2-CG 4.02Å; V283-T323 HydrophobicContact CG2-CG2 4.2Å; V283-T327 HydrophobicContact CG2-CG2 4.03Å
284R93.9Very high91.3Very high154 Ų15466 Ų6658%0.58135%0.345SS*.Hα-helixtrans-61.3-41.3177.3-72.7-169.9-67.4-167.6-5.2111.5Q280 E281 Q287 S288Q280-R284 WeakPolarHBondContact O-CG 3.44Å; Q280-R284 PolarHBondContact O-N 3.31Å; E281-R284 PolarHBondContact O-N 2.84Å; E281-R284 IonicContact OE2-CZ 2.67Å; E281-R284 IonicContact OE2-NE 3.48Å; E281-R284 PolarHBondContact OE2-NE 2.99Å; E281-R284 IonicContact OE2-NH2 3.24Å; E281-R284 PolarHBondContact OE2-NH2 2.85Å; R284-Q287 PolarHBondContact O-N 2.85Å; R284-S288 WeakPolarHBondContact O-CB 3.37Å; R284-S288 PolarHBondContact O-N 2.92Å; R284-S288 PolarHBondContact O-OG 3.43Å
285E95.1Very high91.4Very high44 Ų4462.7 Ų62.721%0.20633%0.334CS..Hα-helixtrans-62.7-49177.7-173177.2-177.800111.2E281 V282 V283 Q287 S288 R289 M367E281-E285 WeakPolarHBondContact O-CB 3.5Å; E281-E285 PolarHBondContact O-N 3.29Å; V282-E285 PolarHBondContact O-N 3.15Å; V283-E285 VanDerWaalsContact C-N 3.3Å; V283-E285 PolarHBondContact O-N 3.36Å; E285-Q287 VanDerWaalsContact C-N 3.27Å; E285-Q287 PolarHBondContact O-N 3.22Å; E285-S288 PolarHBondContact O-N 2.93Å; E285-S288 PolarHBondContact O-OG 2.95Å; E285-R289 WeakPolarHBondContact O-CG 3.3Å; E285-R289 PolarHBondContact O-N 3.17Å; E285-R289 IonicContact OE1-CZ 2.84Å; E285-R289 IonicContact OE1-NE 3.43Å; E285-R289 PolarHBondContact OE1-NE 3.37Å; E285-R289 IonicContact OE1-NH2 3.32Å; E285-R289 PolarHBondContact OE1-NH2 3.16Å; E285-M367 HydrophobicContact CB-CE 4.36Å; E285-M367 HydrophobicContact CG-CE 4.06Å; E285-M367 VanDerWaalsContact OE2-CE 3.29Å; E285-M367 WeakPolarHBondContact OE2-CE 3.29Å
286L95.7Very high91.3Very high1 Ų172.2 Ų72.21%0.00538%0.378CS..Hα-helixtrans-56.8-41.4175.8-72.6169.8000111.8V282 V283 G290 L291 L292 V302 V316 I363 M367V282-L286 HydrophobicContact CG1-CD1 4Å; V282-L286 HydrophobicContact CG1-CG 4.4Å; V282-L286 WeakPolarHBondContact O-CB 3.36Å; V282-L286 VanDerWaalsContact O-CG 3.29Å; V282-L286 WeakPolarHBondContact O-CG 3.43Å; V282-L286 PolarHBondContact O-N 3.37Å; V283-L286 PolarHBondContact O-N 3.46Å; L286-G290 PolarHBondContact O-N 2.78Å; L286-L291 HydrophobicContact CD2-CB 4.02Å; L286-L291 HydrophobicContact CD2-CD1 4.15Å; L286-L291 PolarHBondContact O-N 3.29Å; L286-L292 HydrophobicContact CB-CB 4.02Å; L286-L292 PolarHBondContact O-N 2.95Å; L286-L292 VanDerWaalsContact O-N 3.12Å; L286-V302 HydrophobicContact CD1-CG2 4.05Å; L286-V302 HydrophobicContact CD2-CG2 4Å; L286-V316 HydrophobicContact CD1-CG2 4.31Å; L286-I363 HydrophobicContact CD2-CG2 4.25Å; L286-M367 HydrophobicContact CD2-CE 4.4Å; L286-M367 HydrophobicContact CD2-CG 3.74Å; L286-M367 HydrophobicContact CD2-SD 3.77Å; L286-M367 HydrophobicContact CG-CE 4.49Å; L286-M367 HydrophobicContact CG-SD 4.35Å
287Q94.6Very high91.4Very high130 Ų13078.7 Ų78.761%0.60741%0.406SS*.Hα-helixtrans-67.1-47.2176.8-172177.61.600112.1V283 R284 E285 R289 G290 L292V283-Q287 PolarHBondContact O-N 3.45Å; R284-Q287 PolarHBondContact O-N 2.85Å; E285-Q287 VanDerWaalsContact C-N 3.27Å; E285-Q287 PolarHBondContact O-N 3.22Å; Q287-R289 PolarHBondContact O-N 3.1Å; Q287-G290 PolarHBondContact O-N 2.84Å; Q287-L292 HydrophobicContact CB-CB 4.35Å; Q287-L292 HydrophobicContact CB-CD2 4.18Å
288S95.4Very high91.6Very high97 Ų9776.5 Ų76.568%0.67839%0.392SS*.Hα-helixtrans-61.6-30.5-178.973.10000113.1R284 E285 G290R284-S288 WeakPolarHBondContact O-CB 3.37Å; R284-S288 PolarHBondContact O-N 2.92Å; R284-S288 PolarHBondContact O-OG 3.43Å; E285-S288 PolarHBondContact O-N 2.93Å; E285-S288 PolarHBondContact O-OG 2.95Å; S288-G290 VanDerWaalsContact C-N 3.31Å
289R94.8Very high91.8Very high129 Ų12974.4 Ų74.449%0.48738%0.384SS..THydrogen-bonded Turntrans-85.9-0.7176.7-65.7174.5-179.9-103.210.1113.2E285 Q287 L291 M367E285-R289 WeakPolarHBondContact O-CG 3.3Å; E285-R289 PolarHBondContact O-N 3.17Å; E285-R289 IonicContact OE1-CZ 2.84Å; E285-R289 IonicContact OE1-NE 3.43Å; E285-R289 PolarHBondContact OE1-NE 3.37Å; E285-R289 IonicContact OE1-NH2 3.32Å; E285-R289 PolarHBondContact OE1-NH2 3.16Å; Q287-R289 PolarHBondContact O-N 3.1Å; R289-L291 HydrophobicContact CB-CD1 4.02Å; R289-L291 HydrophobicContact CB-CG 3.89Å; R289-L291 PolarHBondContact O-N 2.92Å; R289-M367 PolarHBondContact NH1-O 3.24Å; R289-M367 PolarHBondContact NH2-O 3.26Å
290G93.8Very high92.1Very high57 Ų5774.7 Ų74.759%0.58839%0.387SS*.THydrogen-bonded Turntrans69.119.2-176.800000114.3L286 Q287 S288L286-G290 PolarHBondContact O-N 2.78Å; Q287-G290 PolarHBondContact O-N 2.84Å; S288-G290 VanDerWaalsContact C-N 3.31Å
291L94.5Very high92.5Very high36 Ų3670 Ų7019%0.18837%0.365CS..  trans-89.6-27-178.5-60.3178.9000112.7L286 R289 K293 T366 M367L286-L291 HydrophobicContact CD2-CB 4.02Å; L286-L291 HydrophobicContact CD2-CD1 4.15Å; L286-L291 PolarHBondContact O-N 3.29Å; R289-L291 HydrophobicContact CB-CD1 4.02Å; R289-L291 HydrophobicContact CB-CG 3.89Å; R289-L291 PolarHBondContact O-N 2.92Å; L291-K293 PolarHBondContact O-N 3.45Å; L291-T366 HydrophobicContact CD1-CG2 3.94Å; L291-T366 HydrophobicContact CD2-CG2 3.57Å; L291-T366 HydrophobicContact CG-CG2 4.36Å; L291-M367 HydrophobicContact CD1-CG 4.02Å
292L95.4Very high92.6Very high40 Ų4065.5 Ų65.521%0.20934%0.344CS..EExtended strand (participates in β ladder)trans-79.8111.4176.6-171.765.7000110.2V283 L286 Q287 V316 L317V283-L292 HydrophobicContact CG1-CD2 4.2Å; L286-L292 HydrophobicContact CB-CB 4.02Å; L286-L292 PolarHBondContact O-N 2.95Å; L286-L292 VanDerWaalsContact O-N 3.12Å; Q287-L292 HydrophobicContact CB-CB 4.35Å; Q287-L292 HydrophobicContact CB-CD2 4.18Å; L292-V316 HydrophobicContact CD1-CG2 3.49Å; L292-V316 VanDerWaalsContact CD1-CG2 3.49Å; L292-L317 HydrophobicContact CD1-CD1 4.24Å; L292-L317 HydrophobicContact CD2-CD1 3.99Å
293K92.9Very high92.6Very high72 Ų7266.2 Ų66.231%0.31335%0.348SS..EExtended strand (participates in β ladder)trans-107.1159.2174.5-63.3175.9-178.31800110L291 G300 V301 D303 M310L291-K293 PolarHBondContact O-N 3.45Å; K293-G300 WeakPolarHBondContact O-CA 3.38Å; K293-V301 HydrophobicContact CB-CG2 4.15Å; K293-V301 PolarHBondContact N-O 3.37Å; K293-V301 PolarHBondContact O-N 2.79Å; K293-D303 HydrophobicContact CD-CB 4.26Å; K293-D303 IonicContact NZ-OD2 3.18Å; K293-D303 PolarHBondContact NZ-OD2 3.39Å; K293-M310 HydrophobicContact CB-CE 4.15Å; K293-M310 HydrophobicContact CD-CE 3.79Å; K293-M310 HydrophobicContact CD-SD 3.25Å; K293-M310 WeakPolarHBondContact CD-SD 3.43Å; K293-M310 PolarHBondContact NZ-SD 2.8Å
294T91.8Very high92.5Very high110 Ų11065.7 Ų65.768%0.67535%0.345SS*.EExtended strand (participates in β ladder)trans-101.9127.9174.7-530000109.5T299T294-T299 WeakPolarHBondContact CA-O 3.39Å
295S89.3Confident92.4Very high25 Ų2558.9 Ų58.918%0.17532%0.321CS..  trans-75.2167.3174.479.80000111.7K297 G298 T299S295-K297 PolarHBondContact O-N 2.81Å; S295-K297 VanDerWaalsContact O-N 3.09Å; S295-K297 PolarHBondContact OG-N 3.06Å; S295-G298 PolarHBondContact O-N 3.4Å; S295-T299 WeakPolarHBondContact CB-OG1 3.49Å; S295-T299 PolarHBondContact N-O 3.32Å; S295-T299 PolarHBondContact OG-N 3.07Å; S295-T299 PolarHBondContact OG-O 3.26Å; S295-T299 PolarHBondContact OG-OG1 3.32Å
296E83.2Confident91.9Very high207 Ų20762.9 Ų62.997%0.96735%0.35SS*.THydrogen-bonded Turntrans-55.8-26.9172.8-62.7-179.2174.300113.2G298E296-G298 VanDerWaalsContact C-N 3.27Å; E296-G298 PolarHBondContact O-N 3.47Å
297K81.3Confident91.4Very high181 Ų18169.6 Ų69.679%0.78739%0.386SS*.THydrogen-bonded Turntrans-86.35.2178.7-60.8-178.6-177.9177.60113.1S295 T299S295-K297 PolarHBondContact O-N 2.81Å; S295-K297 VanDerWaalsContact O-N 3.09Å; S295-K297 PolarHBondContact OG-N 3.06Å; K297-T299 VanDerWaalsContact C-N 3.28Å; K297-T299 PolarHBondContact O-N 3.38Å
298G87.1Confident90.9Very high38 Ų3865.4 Ų65.439%0.39238%0.378SS..SBendtrans74.911.5-177.200000114.4S295 E296 S319S295-G298 PolarHBondContact O-N 3.4Å; E296-G298 VanDerWaalsContact C-N 3.27Å; E296-G298 PolarHBondContact O-N 3.47Å; G298-S319 WeakPolarHBondContact O-CA 3.32Å
299T92.7Very high90.5Very high26 Ų2665 Ų6516%0.1637%0.368CS..  trans-85.6148176.862.20000111.2T294 S295 K297 L317T294-T299 WeakPolarHBondContact CA-O 3.39Å; S295-T299 WeakPolarHBondContact CB-OG1 3.49Å; S295-T299 PolarHBondContact N-O 3.32Å; S295-T299 PolarHBondContact OG-N 3.07Å; S295-T299 PolarHBondContact OG-O 3.26Å; S295-T299 PolarHBondContact OG-OG1 3.32Å; K297-T299 VanDerWaalsContact C-N 3.28Å; K297-T299 PolarHBondContact O-N 3.38Å; T299-L317 VanDerWaalsContact CB-O 3.31Å; T299-L317 WeakPolarHBondContact CB-O 3.49Å
300G94.3Very high90.2Very high9 Ų962.1 Ų62.19%0.09336%0.361CS..EExtended strand (participates in β ladder)trans-81.9125.7173.800000111.1K293 V316 L317K293-G300 WeakPolarHBondContact O-CA 3.38Å; G300-V316 WeakPolarHBondContact O-CG2 3.42Å; G300-V316 PolarHBondContact O-N 3.48Å; G300-L317 PolarHBondContact N-O 2.7Å; G300-L317 PolarHBondContact O-N 2.98Å; G300-L317 VanDerWaalsContact O-N 3.1Å
301V95.6Very high89.9Confident0 Ų063.6 Ų63.60%036%0.363CS..EExtended strand (participates in β ladder)trans-132.2151.2-173.7-56.50000111.5K293 M310 I313 C314 T315K293-V301 HydrophobicContact CB-CG2 4.15Å; K293-V301 PolarHBondContact N-O 3.37Å; K293-V301 PolarHBondContact O-N 2.79Å; V301-M310 HydrophobicContact CG2-CE 3.82Å; V301-I313 HydrophobicContact CB-CB 4.37Å; V301-I313 HydrophobicContact CG1-CD1 4.34Å; V301-C314 CarbonylContact C-O 3.56Å; V301-C314 VanDerWaalsContact CA-O 3.25Å; V301-C314 WeakPolarHBondContact CA-O 3.41Å; V301-T315 HydrophobicContact CG1-CG2 4.44Å
302V95.8Very high89.7Confident1 Ų164.9 Ų64.91%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-108.9131.7169.4-179.50000108.3L286 L304 I313 C314 V316 I363L286-V302 HydrophobicContact CD1-CG2 4.05Å; L286-V302 HydrophobicContact CD2-CG2 4Å; V302-L304 HydrophobicContact CG1-CD2 3.95Å; V302-I313 WeakPolarHBondContact O-CA 3.48Å; V302-C314 PolarHBondContact N-O 3.01Å; V302-C314 PolarHBondContact O-N 3.37Å; V302-V316 HydrophobicContact CG2-CG1 3.87Å; V302-V316 HydrophobicContact CG2-CG2 4.19Å; V302-I363 HydrophobicContact CB-CG1 4.38Å; V302-I363 HydrophobicContact CG1-CG1 4.18Å
303D93.9Very high89.6Confident20 Ų2066.3 Ų66.311%0.10738%0.377CS..EExtended strand (participates in β ladder)trans-80.1123.9175.5-166.9-3.3000110.5K293 S305 G308 M310K293-D303 HydrophobicContact CD-CB 4.26Å; K293-D303 IonicContact NZ-OD2 3.18Å; K293-D303 PolarHBondContact NZ-OD2 3.39Å; D303-S305 PolarHBondContact OD1-N 2.92Å; D303-S305 PolarHBondContact OD1-OG 2.86Å; D303-G308 VanDerWaalsContact OD2-CA 3.26Å; D303-G308 WeakPolarHBondContact OD2-CA 3.14Å; D303-G308 VanDerWaalsContact OD2-O 3.12Å; D303-M310 HydrophobicContact CB-SD 3.6Å; D303-M310 VanDerWaalsContact CB-SD 3.6Å; D303-M310 WeakPolarHBondContact OD1-CA 3.34Å; D303-M310 PolarHBondContact OD1-N 3.48Å; D303-M310 PolarHBondContact OD2-N 3.24Å
304L92.8Very high89.7Confident2 Ų263 Ų631%0.0136%0.363CS..  trans-116.510.6-178.3-58-175.1000111.2V302 N312 C314 Q359 Q362 I363V302-L304 HydrophobicContact CG1-CD2 3.95Å; L304-N312 CarbonylContact C-O 3.53Å; L304-N312 WeakPolarHBondContact CA-O 3.19Å; L304-N312 HydrophobicContact CB-CB 4.41Å; L304-N312 WeakPolarHBondContact CB-O 3.27Å; L304-N312 PolarHBondContact N-O 3.38Å; L304-N312 PolarHBondContact O-ND2 3.44Å; L304-C314 HydrophobicContact CD1-CB 3.64Å; L304-C314 HydrophobicContact CG-CB 4.3Å; L304-Q359 HydrophobicContact CD1-CB 3.96Å; L304-Q359 HydrophobicContact CD1-CG 3.73Å; L304-Q362 HydrophobicContact CD2-CB 4.19Å; L304-Q362 HydrophobicContact CD2-CG 3.9Å; L304-Q362 PolarHBondContact O-NE2 2.98Å; L304-I363 HydrophobicContact CD1-CG1 4.4Å; L304-I363 HydrophobicContact CD2-CG1 3.69Å
305S89.9Confident89.8Confident12 Ų1260.2 Ų60.28%0.08435%0.345CS..  trans-77.2143.6174.183.70000111D303 N307 G308 D309 S311 N312D303-S305 PolarHBondContact OD1-N 2.92Å; D303-S305 PolarHBondContact OD1-OG 2.86Å; S305-N307 PolarHBondContact O-N 2.79Å; S305-G308 PolarHBondContact O-N 2.63Å; S305-G308 WeakPolarHBondContact OG-CA 3.4Å; S305-G308 PolarHBondContact OG-N 2.89Å; S305-G308 VanDerWaalsContact OG-N 3.08Å; S305-D309 WeakPolarHBondContact CB-OD1 3.11Å; S305-D309 PolarHBondContact OG-N 3.27Å; S305-D309 PolarHBondContact OG-OD1 3.23Å; S305-S311 WeakPolarHBondContact CB-OG 3.49Å; S305-N312 PolarHBondContact N-O 3.07Å
306P84.9Confident90.1Very high127 Ų12759 Ų5983%0.82534%0.337SS*.THydrogen-bonded Turntrans-58.9-28.6178.7-25.134.2000113.7
307N86Confident90.5Very high142 Ų14250 Ų5076%0.75930%0.296SS*.THydrogen-bonded Turntrans-100.8-1.9-174.2-59.5-20000113.2S305 D309S305-N307 PolarHBondContact O-N 2.79Å; N307-D309 PolarHBondContact O-N 2.92Å
308G84Confident90.9Very high42 Ų4247.8 Ų47.843%0.43328%0.282SS..SBendtrans67.621.3-176.800000114.7D303 S305 M310D303-G308 VanDerWaalsContact OD2-CA 3.26Å; D303-G308 WeakPolarHBondContact OD2-CA 3.14Å; D303-G308 VanDerWaalsContact OD2-O 3.12Å; S305-G308 PolarHBondContact O-N 2.63Å; S305-G308 WeakPolarHBondContact OG-CA 3.4Å; S305-G308 PolarHBondContact OG-N 2.89Å; S305-G308 VanDerWaalsContact OG-N 3.08Å; G308-M310 VanDerWaalsContact C-N 3.32Å
309D87.4Confident91Very high89 Ų8950.2 Ų50.248%0.47629%0.293SS..SBendtrans-86.78.1-17868.7-0.4000114.2S305 N307 S311S305-D309 WeakPolarHBondContact CB-OD1 3.11Å; S305-D309 PolarHBondContact OG-N 3.27Å; S305-D309 PolarHBondContact OG-OD1 3.23Å; N307-D309 PolarHBondContact O-N 2.92Å; D309-S311 PolarHBondContact O-N 3.12Å; D309-S311 WeakPolarHBondContact OD1-CB 3.16Å; D309-S311 PolarHBondContact OD1-N 3.14Å; D309-S311 PolarHBondContact OD1-OG 2.86Å
310M86.9Confident90.5Very high68 Ų6854.1 Ų54.134%0.33531%0.313SS..SBendtrans63.114.2-179.1-56.6-70.9-76.500115.4K293 V301 D303 G308 N312 I313K293-M310 HydrophobicContact CB-CE 4.15Å; K293-M310 HydrophobicContact CD-CE 3.79Å; K293-M310 HydrophobicContact CD-SD 3.25Å; K293-M310 WeakPolarHBondContact CD-SD 3.43Å; K293-M310 PolarHBondContact NZ-SD 2.8Å; V301-M310 HydrophobicContact CG2-CE 3.82Å; D303-M310 HydrophobicContact CB-SD 3.6Å; D303-M310 VanDerWaalsContact CB-SD 3.6Å; D303-M310 WeakPolarHBondContact OD1-CA 3.34Å; D303-M310 PolarHBondContact OD1-N 3.48Å; D303-M310 PolarHBondContact OD2-N 3.24Å; G308-M310 VanDerWaalsContact C-N 3.32Å; M310-N312 VanDerWaalsContact C-N 3.26Å; M310-N312 PolarHBondContact O-N 3.3Å; M310-I313 HydrophobicContact CB-CG2 4.3Å; M310-I313 HydrophobicContact CE-CG2 3.82Å; M310-I313 HydrophobicContact SD-CG2 4.14Å
311S88.1Confident89.9Confident89 Ų8955.8 Ų55.862%0.62233%0.33SS*.SBendtrans-69.5-21.4178.158.50000113.9S305 D309S305-S311 WeakPolarHBondContact CB-OG 3.49Å; D309-S311 PolarHBondContact O-N 3.12Å; D309-S311 WeakPolarHBondContact OD1-CB 3.16Å; D309-S311 PolarHBondContact OD1-N 3.14Å; D309-S311 PolarHBondContact OD1-OG 2.86Å
312N90.6Very high89.3Confident62 Ų6258.8 Ų58.833%0.33235%0.348SS..SBendtrans-131.8109175.4-18017.6000109L304 S305 M310L304-N312 CarbonylContact C-O 3.53Å; L304-N312 WeakPolarHBondContact CA-O 3.19Å; L304-N312 HydrophobicContact CB-CB 4.41Å; L304-N312 WeakPolarHBondContact CB-O 3.27Å; L304-N312 PolarHBondContact N-O 3.38Å; L304-N312 PolarHBondContact O-ND2 3.44Å; S305-N312 PolarHBondContact N-O 3.07Å; M310-N312 VanDerWaalsContact C-N 3.26Å; M310-N312 PolarHBondContact O-N 3.3Å
313I92.8Very high88.9Confident70 Ų7059.7 Ų59.736%0.35935%0.354SS..EExtended strand (participates in β ladder)trans-121.1141.8-177.256.6169.5000111.1V301 V302 M310V301-I313 HydrophobicContact CB-CB 4.37Å; V301-I313 HydrophobicContact CG1-CD1 4.34Å; V302-I313 WeakPolarHBondContact O-CA 3.48Å; M310-I313 HydrophobicContact CB-CG2 4.3Å; M310-I313 HydrophobicContact CE-CG2 3.82Å; M310-I313 HydrophobicContact SD-CG2 4.14Å
314C95.2Very high88.7Confident4 Ų460.6 Ų60.63%0.02736%0.359CS..EExtended strand (participates in β ladder)trans-110125.4168.6-175.20000109.6V301 V302 L304 Q359 I363V301-C314 CarbonylContact C-O 3.56Å; V301-C314 VanDerWaalsContact CA-O 3.25Å; V301-C314 WeakPolarHBondContact CA-O 3.41Å; V302-C314 PolarHBondContact N-O 3.01Å; V302-C314 PolarHBondContact O-N 3.37Å; L304-C314 HydrophobicContact CD1-CB 3.64Å; L304-C314 HydrophobicContact CG-CB 4.3Å; C314-Q359 HydrophobicContact CB-CB 4.4Å; C314-Q359 HydrophobicContact CB-CG 4.36Å; C314-Q359 PolarHBondContact SG-OE1 3.25Å; C314-I363 HydrophobicContact CB-CD1 3.98Å
315T94.9Very high88.6Confident50 Ų5066.2 Ų66.231%0.30738%0.381SS..EExtended strand (participates in β ladder)trans-79.9124.9175.6-54.10000109.4V301 L317 L324 I326V301-T315 HydrophobicContact CG1-CG2 4.44Å; T315-L317 WeakPolarHBondContact CG2-O 3.47Å; T315-L324 HydrophobicContact CG2-CD1 3.65Å; T315-L324 VanDerWaalsContact O-CD1 3.31Å; T315-L324 WeakPolarHBondContact O-CD1 3.36Å; T315-I326 WeakPolarHBondContact O-CG2 3.28Å
316V94.5Very high88.9Confident0 Ų066 Ų660%038%0.379CS..EExtended strand (participates in β ladder)trans-111.6-21.5179.6-62.80000112.1L286 L292 G300 V302 L324 I326 T327 I363L286-V316 HydrophobicContact CD1-CG2 4.31Å; L292-V316 HydrophobicContact CD1-CG2 3.49Å; L292-V316 VanDerWaalsContact CD1-CG2 3.49Å; G300-V316 WeakPolarHBondContact O-CG2 3.42Å; G300-V316 PolarHBondContact O-N 3.48Å; V302-V316 HydrophobicContact CG2-CG1 3.87Å; V302-V316 HydrophobicContact CG2-CG2 4.19Å; V316-L324 PolarHBondContact O-N 3.24Å; V316-I326 HydrophobicContact CB-CG2 4.49Å; V316-I326 HydrophobicContact CG1-CG2 4.04Å; V316-T327 WeakPolarHBondContact CB-OG1 3.42Å; V316-T327 PolarHBondContact O-OG1 3.23Å; V316-I363 HydrophobicContact CG1-CD1 4.33Å
317L92.7Very high89.3Confident18 Ų1860 Ų609%0.09434%0.339CS..EExtended strand (participates in β ladder)trans-138.2139.4179.7-74.7164.9000111V283 L292 T299 G300 T315 G321 T323V283-L317 HydrophobicContact CB-CD1 4.4Å; V283-L317 HydrophobicContact CG1-CD1 3.64Å; V283-L317 HydrophobicContact CG2-CD1 3.87Å; V283-L317 HydrophobicContact CG2-CD2 3.88Å; V283-L317 HydrophobicContact CG2-CG 4.02Å; L292-L317 HydrophobicContact CD1-CD1 4.24Å; L292-L317 HydrophobicContact CD2-CD1 3.99Å; T299-L317 VanDerWaalsContact CB-O 3.31Å; T299-L317 WeakPolarHBondContact CB-O 3.49Å; G300-L317 PolarHBondContact N-O 2.7Å; G300-L317 PolarHBondContact O-N 2.98Å; G300-L317 VanDerWaalsContact O-N 3.1Å; T315-L317 WeakPolarHBondContact CG2-O 3.47Å; L317-G321 WeakPolarHBondContact CD2-O 3.21Å; L317-T323 HydrophobicContact CD2-CG2 3.76Å
318R89.8Confident89.7Confident135 Ų13554.5 Ų54.551%0.50931%0.308SS..  trans-75.7167.6167.3-69.2-175.5179.6173.81.2111D320 G321 T322 L324R318-D320 WeakPolarHBondContact CB-OD1 3.48Å; R318-D320 PolarHBondContact O-N 3.22Å; R318-G321 PolarHBondContact O-N 3.12Å; R318-T322 PolarHBondContact N-O 2.99Å; R318-L324 HydrophobicContact CG-CD2 4.02Å; R318-L324 HydrophobicContact CG-CG 4.49Å
319S87.8Confident90.2Very high89 Ų8953.7 Ų53.762%0.62229%0.294SS*.THydrogen-bonded Turntrans-65.1-22.6177.649.60000113.4G298 G321G298-S319 WeakPolarHBondContact O-CA 3.32Å; S319-G321 VanDerWaalsContact C-N 3.28Å
320D82.4Confident90.7Very high108 Ų10849.4 Ų49.458%0.57827%0.271SS*.THydrogen-bonded Turntrans-83.41.9173.362.215000113.5R318 T322R318-D320 WeakPolarHBondContact CB-OD1 3.48Å; R318-D320 PolarHBondContact O-N 3.22Å; D320-T322 VanDerWaalsContact C-N 3.34Å; D320-T322 VanDerWaalsContact CG-OG1 3.23Å; D320-T322 WeakPolarHBondContact OD1-CB 3.11Å; D320-T322 PolarHBondContact OD1-N 3.45Å; D320-T322 PolarHBondContact OD1-OG1 2.73Å; D320-T322 PolarHBondContact OD2-OG1 2.96Å
321G81.5Confident91.2Very high43 Ų4346.3 Ų46.344%0.44326%0.256SS..SBendtrans83.90.7-177.900000114.9L317 R318 S319 T323L317-G321 WeakPolarHBondContact CD2-O 3.21Å; R318-G321 PolarHBondContact O-N 3.12Å; S319-G321 VanDerWaalsContact C-N 3.28Å; G321-T323 PolarHBondContact O-N 3.03Å
322T84.3Confident91.6Very high63 Ų6342 Ų4239%0.38723%0.226SC..PPolyproline II helixtrans-71.4130.2179.1-51.10000111.4R318 D320R318-T322 PolarHBondContact N-O 2.99Å; D320-T322 VanDerWaalsContact C-N 3.34Å; D320-T322 VanDerWaalsContact CG-OG1 3.23Å; D320-T322 WeakPolarHBondContact OD1-CB 3.11Å; D320-T322 PolarHBondContact OD1-N 3.45Å; D320-T322 PolarHBondContact OD1-OG1 2.73Å; D320-T322 PolarHBondContact OD2-OG1 2.96Å
323T86.6Confident92Very high20 Ų2039.1 Ų39.112%0.12321%0.21CC..BIsolated β-bridgetrans-74.1145.7176.260.50000112.6V283 L317 G321 T327V283-T323 HydrophobicContact CG2-CG2 4.2Å; L317-T323 HydrophobicContact CD2-CG2 3.76Å; G321-T323 PolarHBondContact O-N 3.03Å; T323-T327 HydrophobicContact CG2-CG2 4.07Å
324L89.8Confident92.2Very high40 Ų4036.9 Ų36.921%0.20920%0.199CC..PPolyproline II helixtrans-97.2173.3178.1-64.7173.5000112.5T315 V316 R318 I326 T327 R328T315-L324 HydrophobicContact CG2-CD1 3.65Å; T315-L324 VanDerWaalsContact O-CD1 3.31Å; T315-L324 WeakPolarHBondContact O-CD1 3.36Å; V316-L324 PolarHBondContact O-N 3.24Å; R318-L324 HydrophobicContact CG-CD2 4.02Å; R318-L324 HydrophobicContact CG-CG 4.49Å; L324-I326 VanDerWaalsContact C-N 3.29Å; L324-I326 HydrophobicContact CB-CG2 4.31Å; L324-I326 PolarHBondContact O-N 2.75Å; L324-T327 WeakPolarHBondContact O-CB 3.45Å; L324-T327 PolarHBondContact O-N 2.49Å; L324-T327 VanDerWaalsContact O-N 3.1Å; L324-R328 PolarHBondContact O-N 2.87Å
325Y90.5Very high92.2Very high119 Ų11938 Ų3847%0.46721%0.207SC..Hα-helixtrans-55.1-42.3177.5-68.7-77.3000112.5E272 T327 R328 D329E272-Y325 WeakPolarHBondContact OE2-CD1 3.45Å; E272-Y325 WeakPolarHBondContact OE2-CE1 3.49Å; Y325-T327 PolarHBondContact O-N 3.35Å; Y325-R328 WeakPolarHBondContact O-CA 3.44Å; Y325-R328 WeakPolarHBondContact O-CB 3.39Å; Y325-R328 PolarHBondContact O-N 3.04Å; Y325-D329 PolarHBondContact O-N 3.05Å
326I95Very high92.4Very high9 Ų935.8 Ų35.85%0.04619%0.193CC..Hα-helixtrans-57.5-37.9177.9-166.672.2000112.3T315 V316 L324 D329 I330 H356 Q359 L360 I363T315-I326 WeakPolarHBondContact O-CG2 3.28Å; V316-I326 HydrophobicContact CB-CG2 4.49Å; V316-I326 HydrophobicContact CG1-CG2 4.04Å; L324-I326 VanDerWaalsContact C-N 3.29Å; L324-I326 HydrophobicContact CB-CG2 4.31Å; L324-I326 PolarHBondContact O-N 2.75Å; I326-D329 PolarHBondContact O-N 3.48Å; I326-I330 HydrophobicContact CG1-CD1 4.36Å; I326-I330 WeakPolarHBondContact O-CD1 3.37Å; I326-I330 VanDerWaalsContact O-CG1 3.23Å; I326-I330 WeakPolarHBondContact O-CG1 3.14Å; I326-I330 PolarHBondContact O-N 2.9Å; I326-H356 VanDerWaalsContact CD1-CE1 3.45Å; I326-H356 WeakPolarHBondContact CD1-CE1 3.06Å; I326-Q359 HydrophobicContact CD1-CB 4.45Å; I326-L360 HydrophobicContact CD1-CB 3.75Å; I326-L360 HydrophobicContact CD1-CD1 4.32Å; I326-I363 HydrophobicContact CG1-CD1 3.95Å
327T94.3Very high92.5Very high0 Ų038.3 Ų38.30%020%0.204CC..Hα-helixtrans-69.2-37.5178.4-47.50000111.4V282 V283 V316 T323 L324 Y325 A331V282-T327 HydrophobicContact CB-CG2 4.43Å; V282-T327 HydrophobicContact CG1-CG2 4.15Å; V283-T327 HydrophobicContact CG2-CG2 4.03Å; V316-T327 WeakPolarHBondContact CB-OG1 3.42Å; V316-T327 PolarHBondContact O-OG1 3.23Å; T323-T327 HydrophobicContact CG2-CG2 4.07Å; L324-T327 WeakPolarHBondContact O-CB 3.45Å; L324-T327 PolarHBondContact O-N 2.49Å; L324-T327 VanDerWaalsContact O-N 3.1Å; Y325-T327 PolarHBondContact O-N 3.35Å; T327-A331 PolarHBondContact O-N 3.31Å; T327-A331 VanDerWaalsContact O-N 3.16Å
328R93.6Very high92.7Very high27 Ų2744 Ų4410%0.10223%0.23CC..Hα-helixtrans-63.3-42.8170.9-77.1-167.6-70.2-80.98.9111.6E272 T279 L324 Y325 A331 A332E272-R328 IonicContact OE2-CZ 3.82Å; E272-R328 IonicContact OE2-NE 2.8Å; E272-R328 PolarHBondContact OE2-NE 3.28Å; E272-R328 IonicContact OE2-NH2 3.61Å; E272-R328 PolarHBondContact OE2-NH2 3.37Å; E272-R328 VanDerWaalsContact OE2-NH2 3.16Å; T279-R328 HydrophobicContact CG2-CB 4.24Å; T279-R328 HydrophobicContact CG2-CG 3.52Å; L324-R328 PolarHBondContact O-N 2.87Å; Y325-R328 WeakPolarHBondContact O-CA 3.44Å; Y325-R328 WeakPolarHBondContact O-CB 3.39Å; Y325-R328 PolarHBondContact O-N 3.04Å; R328-A331 WeakPolarHBondContact O-CB 3.46Å; R328-A331 PolarHBondContact O-N 3.44Å; R328-A332 WeakPolarHBondContact O-CB 3.39Å; R328-A332 PolarHBondContact O-N 2.87Å
329D96.4Very high93Very high24 Ų2444.4 Ų44.413%0.12824%0.235CC..Hα-helixtrans-71.6-32.1-178.4-70.4-17.8000112.9Y325 I326 A332 A333 H356 L360Y325-D329 PolarHBondContact O-N 3.05Å; I326-D329 PolarHBondContact O-N 3.48Å; D329-A332 PolarHBondContact O-N 3.14Å; D329-A333 VanDerWaalsContact O-CB 3.29Å; D329-A333 WeakPolarHBondContact O-CB 3.25Å; D329-A333 PolarHBondContact O-N 3.42Å; D329-H356 IonicContact OD2-CD2 3.07Å; D329-H356 IonicContact OD2-CE1 3.09Å; D329-H356 PolarHBondContact OD2-CE1 3.25Å; D329-H356 VanDerWaalsContact OD2-CE1 3.28Å; D329-H356 IonicContact OD2-NE2 3.94Å; D329-H356 PolarHBondContact OD2-NE2 2.96Å; D329-L360 HydrophobicContact CB-CD1 4.06Å; D329-L360 HydrophobicContact CB-CD2 4.04Å
330I97.6Very high93.5Very high0 Ų042.3 Ų42.30%021%0.214CC..Hα-helixtrans-60.9-50.1169.2-66.7159.2000109.6V282 I326 A332 A333 I334 L360 I363 L364 M367V282-I330 HydrophobicContact CB-CG2 4.39Å; V282-I330 HydrophobicContact CG1-CB 4.04Å; V282-I330 HydrophobicContact CG1-CD1 4.38Å; V282-I330 HydrophobicContact CG1-CG2 3.52Å; V282-I330 HydrophobicContact CG2-CB 4.5Å; V282-I330 HydrophobicContact CG2-CG2 3.89Å; I326-I330 HydrophobicContact CG1-CD1 4.36Å; I326-I330 WeakPolarHBondContact O-CD1 3.37Å; I326-I330 VanDerWaalsContact O-CG1 3.23Å; I326-I330 WeakPolarHBondContact O-CG1 3.14Å; I326-I330 PolarHBondContact O-N 2.9Å; I330-A332 VanDerWaalsContact C-N 3.31Å; I330-A332 PolarHBondContact O-N 3.14Å; I330-A333 PolarHBondContact O-N 3.49Å; I330-I334 HydrophobicContact CG2-CD1 3.84Å; I330-I334 WeakPolarHBondContact O-CG1 3.34Å; I330-I334 PolarHBondContact O-N 3.35Å; I330-L360 HydrophobicContact CB-CD1 4.29Å; I330-L360 HydrophobicContact CG1-CD1 3.53Å; I330-I363 HydrophobicContact CD1-CB 4.21Å; I330-I363 HydrophobicContact CD1-CD1 4.03Å; I330-I363 HydrophobicContact CD1-CG2 3.53Å; I330-I363 HydrophobicContact CG1-CG2 4.2Å; I330-L364 HydrophobicContact CG2-CD2 4Å; I330-M367 HydrophobicContact CG2-CE 4.27Å; I330-M367 HydrophobicContact CG2-SD 3.87Å
331A96.8Very high94.2Very high2 Ų246.7 Ų46.72%0.01722%0.222CC..Hα-helixtrans-60.5-41.9178.300000111.8H275 Q278 T279 V282 T327 R328 S335H275-A331 HydrophobicContact CB-CB 4.29Å; Q278-A331 HydrophobicContact CB-CB 3.88Å; T279-A331 HydrophobicContact CG2-CB 4.33Å; V282-A331 HydrophobicContact CG2-CB 3.77Å; T327-A331 PolarHBondContact O-N 3.31Å; T327-A331 VanDerWaalsContact O-N 3.16Å; R328-A331 WeakPolarHBondContact O-CB 3.46Å; R328-A331 PolarHBondContact O-N 3.44Å; A331-S335 VanDerWaalsContact O-CB 3.26Å; A331-S335 WeakPolarHBondContact O-CB 3.39Å; A331-S335 PolarHBondContact O-N 2.67Å
332A97.1Very high95Very high0 Ų044.6 Ų44.60%020%0.201CC..Hα-helixtrans-63-47176.800000111.6Y173 H275 R328 D329 I330 I334 S335 R336Y173-A332 HydrophobicContact CE2-CB 4.39Å; H275-A332 VanDerWaalsContact CD2-CB 3.42Å; H275-A332 WeakPolarHBondContact CD2-CB 3.13Å; R328-A332 WeakPolarHBondContact O-CB 3.39Å; R328-A332 PolarHBondContact O-N 2.87Å; D329-A332 PolarHBondContact O-N 3.14Å; I330-A332 VanDerWaalsContact C-N 3.31Å; I330-A332 PolarHBondContact O-N 3.14Å; A332-I334 PolarHBondContact O-N 2.93Å; A332-S335 PolarHBondContact O-N 3.24Å; A332-R336 WeakPolarHBondContact O-CB 3.47Å; A332-R336 VanDerWaalsContact O-CD 3.27Å; A332-R336 WeakPolarHBondContact O-CD 3.46Å; A332-R336 WeakPolarHBondContact O-CG 3.43Å; A332-R336 PolarHBondContact O-N 3.11Å
333A97.8Very high95.6Very high0 Ų045.4 Ų45.40%020%0.203CC..Hα-helixtrans-61.5-44.8179.700000112.1D329 I330 R336 K337 L364 W371D329-A333 VanDerWaalsContact O-CB 3.29Å; D329-A333 WeakPolarHBondContact O-CB 3.25Å; D329-A333 PolarHBondContact O-N 3.42Å; I330-A333 PolarHBondContact O-N 3.49Å; A333-R336 PolarHBondContact O-N 3.43Å; A333-K337 PolarHBondContact O-N 3.29Å; A333-L364 HydrophobicContact CB-CD1 3.84Å; A333-L364 HydrophobicContact CB-CD2 4.37Å; A333-W371 HydrophobicContact CB-CH2 3.93Å; A333-W371 HydrophobicContact CB-CZ3 4.41Å
334I97.3Very high96.1Very high24 Ų2444.8 Ų44.812%0.12320%0.199CC..Hα-helixtrans-62.4-50.1176.3-66.5168.3000110.2V282 I330 A332 R336 K337 E338 L364 M367 W371V282-I334 HydrophobicContact CG2-CD1 4.3Å; I330-I334 HydrophobicContact CG2-CD1 3.84Å; I330-I334 WeakPolarHBondContact O-CG1 3.34Å; I330-I334 PolarHBondContact O-N 3.35Å; A332-I334 PolarHBondContact O-N 2.93Å; I334-R336 VanDerWaalsContact C-N 3.3Å; I334-R336 PolarHBondContact O-N 2.96Å; I334-K337 WeakPolarHBondContact O-CB 3.48Å; I334-K337 PolarHBondContact O-N 3.22Å; I334-E338 WeakPolarHBondContact O-CG 3.36Å; I334-E338 PolarHBondContact O-N 3.12Å; I334-L364 HydrophobicContact CD1-CD2 4.33Å; I334-L364 HydrophobicContact CG1-CD2 3.96Å; I334-M367 HydrophobicContact CD1-CE 4.04Å; I334-W371 HydrophobicContact CG1-CZ2 4.31Å
335S96.6Very high96.5Very high26 Ų2642.9 Ų42.918%0.18219%0.189CC..Hα-helixtrans-59.4-40.2178.9179.90000112.4A331 A332 E338 K339A331-S335 VanDerWaalsContact O-CB 3.26Å; A331-S335 WeakPolarHBondContact O-CB 3.39Å; A331-S335 PolarHBondContact O-N 2.67Å; A332-S335 PolarHBondContact O-N 3.24Å; S335-E338 PolarHBondContact O-N 3Å; S335-K339 VanDerWaalsContact O-CB 3.24Å; S335-K339 WeakPolarHBondContact O-CB 3.21Å; S335-K339 PolarHBondContact O-N 3.14Å
336R97.4Very high96.9Very high5 Ų537.2 Ų37.22%0.01917%0.167CC..Hα-helixtrans-64.8-40.6175.4-69.5161.9-168.9172.8-4.4111.1L131 E133 M171 Y173 A332 A333 I334 K339 Y340 F342 M345L131-R336 HydrophobicContact CD1-CB 4.48Å; E133-R336 IonicContact OE2-CZ 3.98Å; E133-R336 IonicContact OE2-NH1 2.94Å; E133-R336 PolarHBondContact OE2-NH1 3.16Å; E133-R336 IonicContact OE2-NH2 2.87Å; E133-R336 PolarHBondContact OE2-NH2 2.96Å; E133-R336 VanDerWaalsContact OE2-NH2 3.08Å; M171-R336 HydrophobicContact CE-CG 4.28Å; M171-R336 HydrophobicContact SD-CG 4.38Å; Y173-R336 VanDerWaalsContact CD1-NH2 3.34Å; A332-R336 WeakPolarHBondContact O-CB 3.47Å; A332-R336 VanDerWaalsContact O-CD 3.27Å; A332-R336 WeakPolarHBondContact O-CD 3.46Å; A332-R336 WeakPolarHBondContact O-CG 3.43Å; A332-R336 PolarHBondContact O-N 3.11Å; A333-R336 PolarHBondContact O-N 3.43Å; I334-R336 VanDerWaalsContact C-N 3.3Å; I334-R336 PolarHBondContact O-N 2.96Å; R336-K339 PolarHBondContact O-N 2.93Å; R336-Y340 HydrophobicContact CB-CD2 4.21Å; R336-Y340 HydrophobicContact CG-CE2 4.42Å; R336-Y340 WeakPolarHBondContact O-CB 3.28Å; R336-Y340 VanDerWaalsContact O-CD2 3.3Å; R336-Y340 WeakPolarHBondContact O-CD2 3.27Å; R336-Y340 PolarHBondContact O-N 3.18Å; R336-F342 HydrophobicContact CB-CE1 4.06Å; R336-M345 VanDerWaalsContact CD-CE 3.44Å
337K97.7Very high97.1Very high53 Ų5337 Ų3723%0.2317%0.165CC..Hα-helixtrans-63.5-45177.4179.563178.6-176.70111.3A333 I334 R341 F342 W371A333-K337 PolarHBondContact O-N 3.29Å; I334-K337 WeakPolarHBondContact O-CB 3.48Å; I334-K337 PolarHBondContact O-N 3.22Å; K337-R341 WeakPolarHBondContact O-CA 3.47Å; K337-R341 PolarHBondContact O-N 3.19Å; K337-F342 VanDerWaalsContact CA-CE1 3.48Å; K337-F342 HydrophobicContact CB-CE1 3.85Å; K337-F342 HydrophobicContact CB-CZ 4.04Å; K337-F342 HydrophobicContact CD-CD1 4.44Å; K337-F342 HydrophobicContact CD-CD2 4.45Å; K337-F342 HydrophobicContact CD-CE1 4.17Å; K337-F342 HydrophobicContact CD-CE2 4.14Å; K337-F342 HydrophobicContact CD-CZ 4Å; K337-F342 PolarHBondContact NZ-O 3.15Å; K337-W371 HydrophobicContact CB-CD2 4.32Å; K337-W371 HydrophobicContact CB-CH2 4.29Å; K337-W371 HydrophobicContact CB-CZ2 3.96Å; K337-W371 HydrophobicContact CD-CB 4.36Å; K337-W371 HydrophobicContact CD-CD2 3.99Å; K337-W371 HydrophobicContact CD-CE3 4.48Å; K337-W371 HydrophobicContact CD-CG 3.92Å; K337-W371 HydrophobicContact CG-CD2 3.92Å; K337-W371 HydrophobicContact CG-CG 4.09Å; K337-W371 HydrophobicContact CG-CZ2 4.22Å
338E96.4Very high97.3Very high138 Ų13837 Ų3765%0.64517%0.166SC*.Hα-helixtrans-63.6-46.6178.1-69.7172.6170.200111.8I334 S335I334-E338 WeakPolarHBondContact O-CG 3.36Å; I334-E338 PolarHBondContact O-N 3.12Å; S335-E338 PolarHBondContact O-N 3Å
339K97.3Very high97.4Very high143 Ų14336.8 Ų36.862%0.62217%0.167SC*.Hα-helixtrans-71.3-47.1-175-175.5173.3178.6-1730113.1S335 R336S335-K339 VanDerWaalsContact O-CB 3.24Å; S335-K339 WeakPolarHBondContact O-CB 3.21Å; S335-K339 PolarHBondContact O-N 3.14Å; R336-K339 PolarHBondContact O-N 2.93Å
340Y97.4Very high97.2Very high44 Ų4437.7 Ų37.717%0.17317%0.172CC..Hα-helixtrans-103.3-14.2-171-56.2-67000113.6L131 I169 M171 V268 R336 F342L131-Y340 HydrophobicContact CD1-CD2 3.54Å; L131-Y340 HydrophobicContact CD1-CE2 4.05Å; L131-Y340 HydrophobicContact CD1-CG 4.1Å; I169-Y340 HydrophobicContact CD1-CD1 3.65Å; I169-Y340 HydrophobicContact CD1-CE1 4.47Å; I169-Y340 HydrophobicContact CD1-CG 3.91Å; M171-Y340 HydrophobicContact CE-CD2 4.39Å; M171-Y340 HydrophobicContact CE-CE2 3.54Å; V268-Y340 HydrophobicContact CG2-CE1 4.39Å; R336-Y340 HydrophobicContact CB-CD2 4.21Å; R336-Y340 HydrophobicContact CG-CE2 4.42Å; R336-Y340 WeakPolarHBondContact O-CB 3.28Å; R336-Y340 VanDerWaalsContact O-CD2 3.3Å; R336-Y340 WeakPolarHBondContact O-CD2 3.27Å; R336-Y340 PolarHBondContact O-N 3.18Å; Y340-F342 PolarHBondContact O-N 3.31Å; Y340-F342 VanDerWaalsContact O-N 3.12Å
341R97.4Very high97.1Very high200 Ų20041.1 Ų41.176%0.75519%0.187SC*.  trans48.839.2-177.2-58.3-179178.2175.2-1.7112.5K337K337-R341 WeakPolarHBondContact O-CA 3.47Å; K337-R341 PolarHBondContact O-N 3.19Å
342F97.8Very high96.9Very high0 Ų045 Ų450%021%0.214CC..  trans-60.7152.2-176.664.2-105.4000112T129 L131 R336 K337 Y340 M345 W371T129-F342 HydrophobicContact CG2-CB 4.39Å; L131-F342 HydrophobicContact CB-CB 4.3Å; L131-F342 HydrophobicContact CD1-CD1 4.46Å; R336-F342 HydrophobicContact CB-CE1 4.06Å; K337-F342 VanDerWaalsContact CA-CE1 3.48Å; K337-F342 HydrophobicContact CB-CE1 3.85Å; K337-F342 HydrophobicContact CB-CZ 4.04Å; K337-F342 HydrophobicContact CD-CD1 4.44Å; K337-F342 HydrophobicContact CD-CD2 4.45Å; K337-F342 HydrophobicContact CD-CE1 4.17Å; K337-F342 HydrophobicContact CD-CE2 4.14Å; K337-F342 HydrophobicContact CD-CZ 4Å; K337-F342 PolarHBondContact NZ-O 3.15Å; Y340-F342 PolarHBondContact O-N 3.31Å; Y340-F342 VanDerWaalsContact O-N 3.12Å; F342-M345 HydrophobicContact CD2-CB 3.86Å; F342-M345 HydrophobicContact CE1-CB 4.38Å; F342-M345 HydrophobicContact CE1-SD 3.75Å; F342-M345 HydrophobicContact CE2-CB 3.58Å; F342-M345 HydrophobicContact CE2-SD 4.4Å; F342-M345 HydrophobicContact CG-CB 4.41Å; F342-M345 HydrophobicContact CZ-CB 3.86Å; F342-M345 HydrophobicContact CZ-CG 4.44Å; F342-M345 HydrophobicContact CZ-SD 3.71Å; F342-W371 AromaticContact CE2-CE3 3.96Å; F342-W371 HydrophobicContact CE2-CE3 3.96Å; F342-W371 HydrophobicContact CE2-CZ3 4.41Å; F342-W371 AromaticContact CZ-CE3 3.75Å; F342-W371 HydrophobicContact CZ-CE3 3.75Å; F342-W371 AromaticContact CZ-CZ3 3.79Å; F342-W371 HydrophobicContact CZ-CZ3 3.79Å
343D97.8Very high96.8Very high79 Ų7948.4 Ų48.442%0.42223%0.23SC..SBendtrans-92.4-35.6174.5-64.2-73.2000112G128 T129 R374G128-D343 WeakPolarHBondContact CA-OD2 3.46Å; T129-D343 PolarHBondContact N-OD2 3.19Å; T129-D343 PolarHBondContact O-N 3.49Å; D343-R374 WeakPolarHBondContact O-CB 3.28Å; D343-R374 WeakPolarHBondContact O-CG 3.38Å; D343-R374 PolarHBondContact O-NE 2.74Å
344D97.4Very high96.6Very high7 Ų752 Ų524%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-135149.9172.1-68.7-93.8000110.1T129 I130 L131 R374 R376T129-D344 PolarHBondContact O-N 2.96Å; I130-D344 WeakPolarHBondContact CA-O 3.16Å; I130-D344 HydrophobicContact CG1-CB 4.27Å; I130-D344 HydrophobicContact CG2-CB 4.34Å; L131-D344 PolarHBondContact N-O 3.23Å; D344-R374 VanDerWaalsContact CG-NH2 3.32Å; D344-R374 IonicContact OD1-CZ 2.64Å; D344-R374 VanDerWaalsContact OD1-CZ 3.3Å; D344-R374 IonicContact OD1-NE 3.12Å; D344-R374 PolarHBondContact OD1-NE 2.61Å; D344-R374 VanDerWaalsContact OD1-NE 3.11Å; D344-R374 IonicContact OD1-NH2 3.08Å; D344-R374 PolarHBondContact OD1-NH2 3.05Å; D344-R374 IonicContact OD2-CZ 2.87Å; D344-R374 IonicContact OD2-NE 3.65Å; D344-R374 IonicContact OD2-NH2 3.14Å; D344-R374 PolarHBondContact OD2-NH2 3.31Å; D344-R376 IonicContact OD1-CZ 3.57Å; D344-R376 IonicContact OD1-NE 2.73Å; D344-R376 IonicContact OD1-NH2 3.74Å; D344-R376 PolarHBondContact OD1-NH2 3.38Å
345M98.2Very high96.6Very high0 Ų055.6 Ų55.60%027%0.266CS..EExtended strand (participates in β ladder)trans-132.8127.7173.8-177.3170.3-178.900110.4L131 R336 F342 Y347 R374 C375 R376L131-M345 HydrophobicContact CB-CG 4.41Å; L131-M345 HydrophobicContact CD2-CE 3.7Å; L131-M345 HydrophobicContact CD2-CG 4.05Å; L131-M345 HydrophobicContact CD2-SD 4.29Å; L131-M345 CarbonylContact O-C 3.59Å; L131-M345 WeakPolarHBondContact O-CA 3.35Å; R336-M345 VanDerWaalsContact CD-CE 3.44Å; F342-M345 HydrophobicContact CD2-CB 3.86Å; F342-M345 HydrophobicContact CE1-CB 4.38Å; F342-M345 HydrophobicContact CE1-SD 3.75Å; F342-M345 HydrophobicContact CE2-CB 3.58Å; F342-M345 HydrophobicContact CE2-SD 4.4Å; F342-M345 HydrophobicContact CG-CB 4.41Å; F342-M345 HydrophobicContact CZ-CB 3.86Å; F342-M345 HydrophobicContact CZ-CG 4.44Å; F342-M345 HydrophobicContact CZ-SD 3.71Å; M345-Y347 HydrophobicContact CE-CD1 4.18Å; M345-Y347 HydrophobicContact CE-CE1 3.35Å; M345-Y347 HydrophobicContact CE-CE2 3.73Å; M345-Y347 WeakPolarHBondContact CE-OH 3.4Å; M345-Y347 HydrophobicContact CG-CD2 4.24Å; M345-Y347 HydrophobicContact CG-CE2 3.7Å; M345-Y347 HydrophobicContact SD-CE1 4.44Å; M345-Y347 HydrophobicContact SD-CE2 3.78Å; M345-Y347 PolarHBondContact SD-OH 3.31Å; M345-R374 PolarHBondContact N-O 2.92Å; M345-R374 VanDerWaalsContact N-O 3.14Å; M345-C375 CarbonylContact O-C 3.49Å; M345-C375 VanDerWaalsContact O-CA 3.28Å; M345-C375 WeakPolarHBondContact O-CA 3.49Å; M345-R376 PolarHBondContact O-N 3.4Å
346I98.7Very high96.6Very high1 Ų155.9 Ų55.91%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-118.3121.4-175.7-58.1174.8000108.5I130 L131 V132 E133 I157 V348 R376 V378 L519I130-I346 HydrophobicContact CG2-CD1 4.08Å; I130-I346 HydrophobicContact CG2-CG1 4.44Å; L131-I346 PolarHBondContact O-N 3.39Å; V132-I346 WeakPolarHBondContact CA-O 3.25Å; V132-I346 HydrophobicContact CG1-CB 4.49Å; E133-I346 PolarHBondContact N-O 3.05Å; I157-I346 HydrophobicContact CD1-CG2 4.35Å; I157-I346 HydrophobicContact CG2-CD1 3.66Å; I157-I346 HydrophobicContact CG2-CG2 4.42Å; I346-V348 HydrophobicContact CG2-CG2 4.11Å; I346-R376 WeakPolarHBondContact CA-O 3.39Å; I346-V378 HydrophobicContact CG2-CB 4.46Å; I346-V378 HydrophobicContact CG2-CG2 3.7Å; I346-L519 HydrophobicContact CD1-CD1 4.21Å; I346-L519 HydrophobicContact CD1-CD2 4.44Å
347Y98.6Very high96.6Very high3 Ų356.1 Ų56.11%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-102.2124.9175.5-63.7-95.3000109.5E133 M345 F357 F361 C375 R376 V378E133-Y347 HydrophobicContact CB-CD1 4.33Å; E133-Y347 WeakPolarHBondContact OE2-CD1 3.44Å; E133-Y347 WeakPolarHBondContact OE2-CE1 3.31Å; M345-Y347 HydrophobicContact CE-CD1 4.18Å; M345-Y347 HydrophobicContact CE-CE1 3.35Å; M345-Y347 HydrophobicContact CE-CE2 3.73Å; M345-Y347 WeakPolarHBondContact CE-OH 3.4Å; M345-Y347 HydrophobicContact CG-CD2 4.24Å; M345-Y347 HydrophobicContact CG-CE2 3.7Å; M345-Y347 HydrophobicContact SD-CE1 4.44Å; M345-Y347 HydrophobicContact SD-CE2 3.78Å; M345-Y347 PolarHBondContact SD-OH 3.31Å; Y347-F357 HydrophobicContact CD1-CD1 4.22Å; Y347-F357 AromaticContact CD1-CE1 3.29Å; Y347-F357 HydrophobicContact CD1-CE1 3.29Å; Y347-F357 AromaticContact CD1-CZ 3.83Å; Y347-F357 HydrophobicContact CD1-CZ 3.83Å; Y347-F357 HydrophobicContact CD2-CD1 4.27Å; Y347-F357 HydrophobicContact CD2-CE1 4.11Å; Y347-F357 AromaticContact CE1-CE1 3.76Å; Y347-F357 HydrophobicContact CE1-CE1 3.76Å; Y347-F357 AromaticContact CG-CD1 3.98Å; Y347-F357 HydrophobicContact CG-CD1 3.98Å; Y347-F357 AromaticContact CG-CE1 3.44Å; Y347-F357 HydrophobicContact CG-CE1 3.44Å; Y347-F357 VanDerWaalsContact CG-CE1 3.44Å; Y347-F357 HydrophobicContact CG-CZ 4.07Å; Y347-F361 AromaticContact CD2-CE1 3.9Å; Y347-F361 HydrophobicContact CD2-CE1 3.9Å; Y347-F361 AromaticContact CD2-CZ 3.77Å; Y347-F361 HydrophobicContact CD2-CZ 3.77Å; Y347-F361 AromaticContact CE2-CE1 3.62Å; Y347-F361 HydrophobicContact CE2-CE1 3.62Å; Y347-F361 AromaticContact CE2-CZ 4Å; Y347-F361 HydrophobicContact CE2-CZ 4Å; Y347-C375 HydrophobicContact CE2-CB 4.32Å; Y347-R376 PolarHBondContact N-O 3.43Å; Y347-V378 PolarHBondContact O-N 3.35Å
348V98.4Very high96.5Very high1 Ų158 Ų581%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-114.296.7-177.6-171.80000110.1V132 E133 F134 S150 I153 I157 I346 V378 F380V132-V348 HydrophobicContact CG1-CG2 4.26Å; E133-V348 PolarHBondContact O-N 2.89Å; F134-V348 HydrophobicContact CB-CB 3.89Å; F134-V348 HydrophobicContact CB-CG2 4.2Å; S150-V348 PolarHBondContact OG-O 2.9Å; I153-V348 HydrophobicContact CB-CG1 3.92Å; I153-V348 HydrophobicContact CG2-CG1 3.61Å; I157-V348 HydrophobicContact CD1-CG2 4.09Å; I346-V348 HydrophobicContact CG2-CG2 4.11Å; V348-V378 HydrophobicContact CG2-CB 4.41Å; V348-F380 HydrophobicContact CG1-CD1 4.15Å; V348-F380 HydrophobicContact CG1-CE1 4.11Å
349T95.9Very high96.5Very high23 Ų2352.9 Ų52.914%0.14125%0.254CS..EExtended strand (participates in β ladder)trans-135.6173.7-178.975.30000111.4Q353 F357 H377 V378 S379 F380T349-Q353 WeakPolarHBondContact OG1-CB 3.16Å; T349-F357 HydrophobicContact CG2-CE2 3.66Å; T349-F357 HydrophobicContact CG2-CZ 3.88Å; T349-F357 WeakPolarHBondContact OG1-CE2 3.42Å; T349-H377 PolarHBondContact OG1-NE2 2.86Å; T349-V378 PolarHBondContact N-O 3.03Å; T349-S379 VanDerWaalsContact O-CA 3.27Å; T349-S379 WeakPolarHBondContact O-CA 3.28Å; T349-F380 WeakPolarHBondContact O-CD1 3.5Å; T349-F380 WeakPolarHBondContact O-CE1 3.4Å; T349-F380 PolarHBondContact O-N 3.21Å
350D92.7Very high96.6Very high43 Ų4346 Ų4623%0.2323%0.225CC..EExtended strand (participates in β ladder)trans-68.5156.7177.277.693.5000111.7S352 Q353 F380D350-S352 PolarHBondContact O-N 3.38Å; D350-S352 VanDerWaalsContact O-N 3.14Å; D350-S352 WeakPolarHBondContact OD1-CA 3.47Å; D350-S352 WeakPolarHBondContact OD1-CB 3.39Å; D350-S352 PolarHBondContact OD1-N 3.08Å; D350-S352 PolarHBondContact OD1-OG 3.24Å; D350-Q353 PolarHBondContact O-N 3.05Å; D350-Q353 VanDerWaalsContact O-N 3.12Å; D350-F380 HydrophobicContact CB-CD2 4.38Å; D350-F380 HydrophobicContact CB-CE2 3.82Å; D350-F380 HydrophobicContact CB-CZ 4.09Å
351K93.9Very high96.6Very high72 Ų7244.7 Ų44.731%0.31322%0.22SC..G310 helixtrans-61.8-17.7-177.468.3-176.6179.2-168.60114.9Q353 E354 F380 D447K351-Q353 PolarHBondContact O-N 3.26Å; K351-E354 WeakPolarHBondContact O-CG 3.49Å; K351-E354 PolarHBondContact O-N 3.28Å; K351-F380 PolarHBondContact N-O 2.63Å; K351-D447 WeakPolarHBondContact CE-OD1 3.33Å; K351-D447 IonicContact NZ-OD1 3.21Å; K351-D447 PolarHBondContact NZ-OD1 2.91Å; K351-D447 IonicContact NZ-OD2 2.7Å; K351-D447 PolarHBondContact NZ-OD2 3.12Å
352S93.1Very high96.6Very high83 Ų8337.7 Ų37.758%0.5820%0.196SC*.G310 helixtrans-66.7-18.9175.277.70000112.9D350D350-S352 PolarHBondContact O-N 3.38Å; D350-S352 VanDerWaalsContact O-N 3.14Å; D350-S352 WeakPolarHBondContact OD1-CA 3.47Å; D350-S352 WeakPolarHBondContact OD1-CB 3.39Å; D350-S352 PolarHBondContact OD1-N 3.08Å; D350-S352 PolarHBondContact OD1-OG 3.24Å
353Q94.6Very high96.5Very high71 Ų7137.7 Ų37.733%0.33220%0.196SC..G310 helixtrans-88.81.8180-56.6-58.7-52.800113.8T349 D350 K351 N355 H356 F357T349-Q353 WeakPolarHBondContact OG1-CB 3.16Å; D350-Q353 PolarHBondContact O-N 3.05Å; D350-Q353 VanDerWaalsContact O-N 3.12Å; K351-Q353 PolarHBondContact O-N 3.26Å; Q353-N355 VanDerWaalsContact C-N 3.34Å; Q353-N355 PolarHBondContact O-N 3.03Å; Q353-H356 WeakPolarHBondContact O-CB 3.39Å; Q353-H356 PolarHBondContact O-N 2.84Å; Q353-H356 VanDerWaalsContact O-N 3.07Å; Q353-F357 HydrophobicContact CB-CD2 3.97Å; Q353-F357 HydrophobicContact CB-CE2 3.94Å; Q353-F357 WeakPolarHBondContact O-CD2 3.3Å; Q353-F357 PolarHBondContact O-N 2.95Å
354E94.9Very high96.5Very high75 Ų7533.9 Ų33.935%0.3518%0.176SC..Hα-helixtrans-56.2-45.6-176.9-78.5178.3-18000112.9K351 H356 F357 N358 S379K351-E354 WeakPolarHBondContact O-CG 3.49Å; K351-E354 PolarHBondContact O-N 3.28Å; E354-H356 VanDerWaalsContact C-N 3.29Å; E354-H356 PolarHBondContact O-N 3.24Å; E354-F357 PolarHBondContact O-N 3.24Å; E354-N358 WeakPolarHBondContact O-CB 3.49Å; E354-N358 PolarHBondContact O-N 3.49Å; E354-N358 PolarHBondContact O-ND2 3.33Å; E354-S379 WeakPolarHBondContact OE1-CB 3.48Å; E354-S379 PolarHBondContact OE1-OG 3.08Å
355N95.8Very high96.4Very high101 Ų10139 Ų3954%0.5419%0.194SC..Hα-helixtrans-62.4-39.2178.2-174.861.2000111.8Q353 N358 Q359Q353-N355 VanDerWaalsContact C-N 3.34Å; Q353-N355 PolarHBondContact O-N 3.03Å; N355-N358 PolarHBondContact O-N 2.9Å; N355-Q359 PolarHBondContact ND2-NE2 2.97Å; N355-Q359 WeakPolarHBondContact O-CB 3.17Å; N355-Q359 VanDerWaalsContact O-CG 3.25Å; N355-Q359 WeakPolarHBondContact O-CG 3.29Å; N355-Q359 PolarHBondContact O-N 3.4Å
356H96.9Very high96.2Very high32 Ų3242 Ų4215%0.14821%0.212CC..Hα-helixtrans-61.8-50177.9174.686000111.8I326 D329 Q353 E354 N358 Q359 L360I326-H356 VanDerWaalsContact CD1-CE1 3.45Å; I326-H356 WeakPolarHBondContact CD1-CE1 3.06Å; D329-H356 IonicContact OD2-CD2 3.07Å; D329-H356 IonicContact OD2-CE1 3.09Å; D329-H356 PolarHBondContact OD2-CE1 3.25Å; D329-H356 VanDerWaalsContact OD2-CE1 3.28Å; D329-H356 IonicContact OD2-NE2 3.94Å; D329-H356 PolarHBondContact OD2-NE2 2.96Å; Q353-H356 WeakPolarHBondContact O-CB 3.39Å; Q353-H356 PolarHBondContact O-N 2.84Å; Q353-H356 VanDerWaalsContact O-N 3.07Å; E354-H356 VanDerWaalsContact C-N 3.29Å; E354-H356 PolarHBondContact O-N 3.24Å; H356-N358 PolarHBondContact O-N 2.86Å; H356-Q359 PolarHBondContact O-N 3.21Å; H356-L360 WeakPolarHBondContact O-CB 3.35Å; H356-L360 PolarHBondContact O-N 2.77Å
357F97.5Very high96Very high9 Ų942 Ų424%0.03921%0.212CC..Hα-helixtrans-67.8-35.2179.3-78-71.7000113Y347 T349 Q353 E354 Q359 L360 F361 H377Y347-F357 HydrophobicContact CD1-CD1 4.22Å; Y347-F357 AromaticContact CD1-CE1 3.29Å; Y347-F357 HydrophobicContact CD1-CE1 3.29Å; Y347-F357 AromaticContact CD1-CZ 3.83Å; Y347-F357 HydrophobicContact CD1-CZ 3.83Å; Y347-F357 HydrophobicContact CD2-CD1 4.27Å; Y347-F357 HydrophobicContact CD2-CE1 4.11Å; Y347-F357 AromaticContact CE1-CE1 3.76Å; Y347-F357 HydrophobicContact CE1-CE1 3.76Å; Y347-F357 AromaticContact CG-CD1 3.98Å; Y347-F357 HydrophobicContact CG-CD1 3.98Å; Y347-F357 AromaticContact CG-CE1 3.44Å; Y347-F357 HydrophobicContact CG-CE1 3.44Å; Y347-F357 VanDerWaalsContact CG-CE1 3.44Å; Y347-F357 HydrophobicContact CG-CZ 4.07Å; T349-F357 HydrophobicContact CG2-CE2 3.66Å; T349-F357 HydrophobicContact CG2-CZ 3.88Å; T349-F357 WeakPolarHBondContact OG1-CE2 3.42Å; Q353-F357 HydrophobicContact CB-CD2 3.97Å; Q353-F357 HydrophobicContact CB-CE2 3.94Å; Q353-F357 WeakPolarHBondContact O-CD2 3.3Å; Q353-F357 PolarHBondContact O-N 2.95Å; E354-F357 PolarHBondContact O-N 3.24Å; F357-Q359 VanDerWaalsContact C-N 3.34Å; F357-Q359 PolarHBondContact O-N 3.5Å; F357-L360 HydrophobicContact CD1-CD2 3.92Å; F357-L360 HydrophobicContact CE1-CD2 4.09Å; F357-L360 PolarHBondContact O-N 3.4Å; F357-F361 HydrophobicContact CB-CE2 4.12Å; F357-F361 HydrophobicContact CB-CZ 4.07Å; F357-F361 HydrophobicContact CD1-CE1 4.06Å; F357-F361 AromaticContact CD1-CZ 3.89Å; F357-F361 HydrophobicContact CD1-CZ 3.89Å; F357-F361 HydrophobicContact CG-CZ 4.37Å; F357-F361 VanDerWaalsContact O-CD2 3.28Å; F357-F361 WeakPolarHBondContact O-CD2 3.4Å; F357-F361 WeakPolarHBondContact O-CG 3.21Å; F357-F361 PolarHBondContact O-N 3Å; F357-H377 HydrophobicContact CB-CB 3.85Å; F357-H377 HydrophobicContact CD2-CB 4.48Å; F357-H377 AromaticContact CD2-CD2 3.5Å; F357-H377 VanDerWaalsContact CD2-CD2 3.5Å; F357-H377 WeakPolarHBondContact CD2-CD2 3.13Å; F357-H377 AromaticContact CD2-CE1 3.79Å; F357-H377 AromaticContact CD2-CG 3.75Å; F357-H377 AromaticContact CD2-ND1 3.94Å; F357-H377 AromaticContact CD2-NE2 3.53Å; F357-H377 AromaticContact CE2-CD2 3.93Å; F357-H377 AromaticContact CE2-NE2 3.91Å; F357-H377 HydrophobicContact CG-CB 4.12Å; F357-H377 AromaticContact CG-CD2 3.98Å; F357-H377 AromaticContact CG-CG 3.88Å
358N96.4Very high95.8Very high93 Ų9344.6 Ų44.650%0.49724%0.24SC..Hα-helixtrans-60.1-45.9172.2-73.8-24.5000111.4E354 N355 H356 Q362E354-N358 WeakPolarHBondContact O-CB 3.49Å; E354-N358 PolarHBondContact O-N 3.49Å; E354-N358 PolarHBondContact O-ND2 3.33Å; N355-N358 PolarHBondContact O-N 2.9Å; H356-N358 PolarHBondContact O-N 2.86Å; N358-Q362 WeakPolarHBondContact O-CB 3.43Å; N358-Q362 PolarHBondContact O-N 2.78Å
359Q97.1Very high95.8Very high30 Ų3046 Ų4614%0.1425%0.247CC..Hα-helixtrans-63-45175-71179.3-15.400111.4L304 C314 I326 N355 H356 F357 F361 Q362 I363L304-Q359 HydrophobicContact CD1-CB 3.96Å; L304-Q359 HydrophobicContact CD1-CG 3.73Å; C314-Q359 HydrophobicContact CB-CB 4.4Å; C314-Q359 HydrophobicContact CB-CG 4.36Å; C314-Q359 PolarHBondContact SG-OE1 3.25Å; I326-Q359 HydrophobicContact CD1-CB 4.45Å; N355-Q359 PolarHBondContact ND2-NE2 2.97Å; N355-Q359 WeakPolarHBondContact O-CB 3.17Å; N355-Q359 VanDerWaalsContact O-CG 3.25Å; N355-Q359 WeakPolarHBondContact O-CG 3.29Å; N355-Q359 PolarHBondContact O-N 3.4Å; H356-Q359 PolarHBondContact O-N 3.21Å; F357-Q359 VanDerWaalsContact C-N 3.34Å; F357-Q359 PolarHBondContact O-N 3.5Å; Q359-F361 PolarHBondContact O-N 3.15Å; Q359-Q362 PolarHBondContact O-N 2.99Å; Q359-I363 VanDerWaalsContact O-CG1 3.23Å; Q359-I363 WeakPolarHBondContact O-CG1 3.38Å; Q359-I363 PolarHBondContact O-N 2.89Å
360L98Very high95.8Very high0 Ų049 Ų490%027%0.27CS..Hα-helixtrans-56.3-53178.2176.860.6000111.6I326 D329 I330 H356 F357 Q362 I363 L364I326-L360 HydrophobicContact CD1-CB 3.75Å; I326-L360 HydrophobicContact CD1-CD1 4.32Å; D329-L360 HydrophobicContact CB-CD1 4.06Å; D329-L360 HydrophobicContact CB-CD2 4.04Å; I330-L360 HydrophobicContact CB-CD1 4.29Å; I330-L360 HydrophobicContact CG1-CD1 3.53Å; H356-L360 WeakPolarHBondContact O-CB 3.35Å; H356-L360 PolarHBondContact O-N 2.77Å; F357-L360 HydrophobicContact CD1-CD2 3.92Å; F357-L360 HydrophobicContact CE1-CD2 4.09Å; F357-L360 PolarHBondContact O-N 3.4Å; L360-Q362 VanDerWaalsContact C-N 3.29Å; L360-Q362 PolarHBondContact O-N 3.19Å; L360-I363 PolarHBondContact O-N 3.48Å; L360-L364 HydrophobicContact CD1-CD1 4.06Å; L360-L364 HydrophobicContact CD1-CG 4.36Å; L360-L364 HydrophobicContact CG-CD1 4.09Å; L360-L364 WeakPolarHBondContact O-CG 3.25Å; L360-L364 PolarHBondContact O-N 3.28Å
361F97.9Very high96Very high15 Ų1548.6 Ų48.67%0.06627%0.265CS..Hα-helixtrans-65.7-35.5-178.6-57.1-22.9000111.5Y347 F357 Q359 R365 C375 H377Y347-F361 AromaticContact CD2-CE1 3.9Å; Y347-F361 HydrophobicContact CD2-CE1 3.9Å; Y347-F361 AromaticContact CD2-CZ 3.77Å; Y347-F361 HydrophobicContact CD2-CZ 3.77Å; Y347-F361 AromaticContact CE2-CE1 3.62Å; Y347-F361 HydrophobicContact CE2-CE1 3.62Å; Y347-F361 AromaticContact CE2-CZ 4Å; Y347-F361 HydrophobicContact CE2-CZ 4Å; F357-F361 HydrophobicContact CB-CE2 4.12Å; F357-F361 HydrophobicContact CB-CZ 4.07Å; F357-F361 HydrophobicContact CD1-CE1 4.06Å; F357-F361 AromaticContact CD1-CZ 3.89Å; F357-F361 HydrophobicContact CD1-CZ 3.89Å; F357-F361 HydrophobicContact CG-CZ 4.37Å; F357-F361 VanDerWaalsContact O-CD2 3.28Å; F357-F361 WeakPolarHBondContact O-CD2 3.4Å; F357-F361 WeakPolarHBondContact O-CG 3.21Å; F357-F361 PolarHBondContact O-N 3Å; Q359-F361 PolarHBondContact O-N 3.15Å; F361-R365 WeakPolarHBondContact O-CG 3.39Å; F361-R365 PolarHBondContact O-N 3.42Å; F361-R365 VanDerWaalsContact O-N 3.08Å; F361-R365 PolarHBondContact O-NE 3.37Å; F361-C375 HydrophobicContact CD1-CB 3.7Å; F361-C375 HydrophobicContact CE1-CB 3.49Å; F361-C375 VanDerWaalsContact CE1-CB 3.49Å; F361-C375 HydrophobicContact CE2-CB 4.39Å; F361-C375 HydrophobicContact CG-CB 4.28Å; F361-C375 HydrophobicContact CZ-CB 3.86Å; F361-H377 HydrophobicContact CE2-CB 4.04Å; F361-H377 HydrophobicContact CZ-CB 4.28Å
362Q96.4Very high96.1Very high53 Ų5345.3 Ų45.325%0.24825%0.251CS..Hα-helixtrans-67.5-45.5175.9-166.2174.1-4.700112.2L304 N358 Q359 L360 L364 R365 T366L304-Q362 HydrophobicContact CD2-CB 4.19Å; L304-Q362 HydrophobicContact CD2-CG 3.9Å; L304-Q362 PolarHBondContact O-NE2 2.98Å; N358-Q362 WeakPolarHBondContact O-CB 3.43Å; N358-Q362 PolarHBondContact O-N 2.78Å; Q359-Q362 PolarHBondContact O-N 2.99Å; L360-Q362 VanDerWaalsContact C-N 3.29Å; L360-Q362 PolarHBondContact O-N 3.19Å; Q362-L364 VanDerWaalsContact C-N 3.34Å; Q362-L364 PolarHBondContact O-N 3.14Å; Q362-R365 PolarHBondContact O-N 2.91Å; Q362-T366 PolarHBondContact O-N 2.94Å; Q362-T366 PolarHBondContact O-OG1 3.07Å
363I96.9Very high96.3Very high0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-59.2-47176.5-65.9163.8000110.4L286 V302 L304 C314 V316 I326 I330 Q359 L360 R365 T366 M367L286-I363 HydrophobicContact CD2-CG2 4.25Å; V302-I363 HydrophobicContact CB-CG1 4.38Å; V302-I363 HydrophobicContact CG1-CG1 4.18Å; L304-I363 HydrophobicContact CD1-CG1 4.4Å; L304-I363 HydrophobicContact CD2-CG1 3.69Å; C314-I363 HydrophobicContact CB-CD1 3.98Å; V316-I363 HydrophobicContact CG1-CD1 4.33Å; I326-I363 HydrophobicContact CG1-CD1 3.95Å; I330-I363 HydrophobicContact CD1-CB 4.21Å; I330-I363 HydrophobicContact CD1-CD1 4.03Å; I330-I363 HydrophobicContact CD1-CG2 3.53Å; I330-I363 HydrophobicContact CG1-CG2 4.2Å; Q359-I363 VanDerWaalsContact O-CG1 3.23Å; Q359-I363 WeakPolarHBondContact O-CG1 3.38Å; Q359-I363 PolarHBondContact O-N 2.89Å; L360-I363 PolarHBondContact O-N 3.48Å; I363-R365 VanDerWaalsContact C-N 3.33Å; I363-R365 PolarHBondContact O-N 3.44Å; I363-T366 PolarHBondContact O-N 2.94Å; I363-M367 HydrophobicContact CG2-CG 4.33Å; I363-M367 HydrophobicContact CG2-SD 3.86Å; I363-M367 VanDerWaalsContact O-CG 3.29Å; I363-M367 WeakPolarHBondContact O-CG 3.38Å; I363-M367 PolarHBondContact O-N 3.23Å
364L97.4Very high96.3Very high0 Ų049.4 Ų49.40%026%0.257CS..Hα-helixtrans-57.3-45.3177.8-72.4167.6000111.8I330 A333 I334 L360 Q362 M367 G368 N369 W371 A372I330-L364 HydrophobicContact CG2-CD2 4Å; A333-L364 HydrophobicContact CB-CD1 3.84Å; A333-L364 HydrophobicContact CB-CD2 4.37Å; I334-L364 HydrophobicContact CD1-CD2 4.33Å; I334-L364 HydrophobicContact CG1-CD2 3.96Å; L360-L364 HydrophobicContact CD1-CD1 4.06Å; L360-L364 HydrophobicContact CD1-CG 4.36Å; L360-L364 HydrophobicContact CG-CD1 4.09Å; L360-L364 WeakPolarHBondContact O-CG 3.25Å; L360-L364 PolarHBondContact O-N 3.28Å; Q362-L364 VanDerWaalsContact C-N 3.34Å; Q362-L364 PolarHBondContact O-N 3.14Å; L364-M367 WeakPolarHBondContact O-CB 3.44Å; L364-M367 PolarHBondContact O-N 3.47Å; L364-G368 PolarHBondContact O-N 3.37Å; L364-N369 HydrophobicContact CB-CB 4.31Å; L364-N369 VanDerWaalsContact O-CB 3.22Å; L364-N369 WeakPolarHBondContact O-CB 3.48Å; L364-N369 PolarHBondContact O-N 3.31Å; L364-N369 PolarHBondContact O-ND2 2.96Å; L364-W371 HydrophobicContact CD1-CH2 3.93Å; L364-W371 HydrophobicContact CD1-CZ3 4.16Å; L364-W371 HydrophobicContact CD2-CH2 3.92Å; L364-W371 HydrophobicContact CD2-CZ2 4.24Å; L364-W371 HydrophobicContact CG-CH2 4.46Å; L364-A372 HydrophobicContact CB-CB 3.67Å; L364-A372 HydrophobicContact CD1-CB 4.37Å
365R95.7Very high96.5Very high115 Ų11546.3 Ų46.343%0.43424%0.244SC..Hα-helixtrans-61.9-44.9175.8-74.2-177.9-65.6-147.9-2.4112.3F361 Q362 I363 M367 G368 A372F361-R365 WeakPolarHBondContact O-CG 3.39Å; F361-R365 PolarHBondContact O-N 3.42Å; F361-R365 VanDerWaalsContact O-N 3.08Å; F361-R365 PolarHBondContact O-NE 3.37Å; Q362-R365 PolarHBondContact O-N 2.91Å; I363-R365 VanDerWaalsContact C-N 3.33Å; I363-R365 PolarHBondContact O-N 3.44Å; R365-M367 PolarHBondContact O-N 2.97Å; R365-G368 WeakPolarHBondContact O-CA 3.34Å; R365-G368 PolarHBondContact O-N 2.95Å; R365-A372 HydrophobicContact CG-CB 3.88Å
366T93.4Very high96.6Very high61 Ų6145.5 Ų45.537%0.37423%0.233SC..Hα-helixtrans-63.1-31.4177.2-55.20000111.6L291 Q362 I363 G368L291-T366 HydrophobicContact CD1-CG2 3.94Å; L291-T366 HydrophobicContact CD2-CG2 3.57Å; L291-T366 HydrophobicContact CG-CG2 4.36Å; Q362-T366 PolarHBondContact O-N 2.94Å; Q362-T366 PolarHBondContact O-OG1 3.07Å; I363-T366 PolarHBondContact O-N 2.94Å; T366-G368 PolarHBondContact O-N 3.08Å
367M95.1Very high96.6Very high1 Ų145.7 Ų45.71%0.00523%0.234CC..THydrogen-bonded Turntrans-72.2-0.1170.4-66.1172.672.600113.5V282 E285 L286 R289 L291 I330 I334 I363 L364 R365V282-M367 HydrophobicContact CG1-CE 4.46Å; E285-M367 HydrophobicContact CB-CE 4.36Å; E285-M367 HydrophobicContact CG-CE 4.06Å; E285-M367 VanDerWaalsContact OE2-CE 3.29Å; E285-M367 WeakPolarHBondContact OE2-CE 3.29Å; L286-M367 HydrophobicContact CD2-CE 4.4Å; L286-M367 HydrophobicContact CD2-CG 3.74Å; L286-M367 HydrophobicContact CD2-SD 3.77Å; L286-M367 HydrophobicContact CG-CE 4.49Å; L286-M367 HydrophobicContact CG-SD 4.35Å; R289-M367 PolarHBondContact NH1-O 3.24Å; R289-M367 PolarHBondContact NH2-O 3.26Å; L291-M367 HydrophobicContact CD1-CG 4.02Å; I330-M367 HydrophobicContact CG2-CE 4.27Å; I330-M367 HydrophobicContact CG2-SD 3.87Å; I334-M367 HydrophobicContact CD1-CE 4.04Å; I363-M367 HydrophobicContact CG2-CG 4.33Å; I363-M367 HydrophobicContact CG2-SD 3.86Å; I363-M367 VanDerWaalsContact O-CG 3.29Å; I363-M367 WeakPolarHBondContact O-CG 3.38Å; I363-M367 PolarHBondContact O-N 3.23Å; L364-M367 WeakPolarHBondContact O-CB 3.44Å; L364-M367 PolarHBondContact O-N 3.47Å; R365-M367 PolarHBondContact O-N 2.97Å
368G94.6Very high96.7Very high58 Ų5845.9 Ų45.960%0.59824%0.236SC*.THydrogen-bonded Turntrans87.510.5179.500000114.7L364 R365 T366 S370L364-G368 PolarHBondContact O-N 3.37Å; R365-G368 WeakPolarHBondContact O-CA 3.34Å; R365-G368 PolarHBondContact O-N 2.95Å; T366-G368 PolarHBondContact O-N 3.08Å; G368-S370 PolarHBondContact O-N 3.07Å; G368-S370 VanDerWaalsContact O-N 3.12Å
369N96.9Very high96.7Very high30 Ų3041.9 Ų41.916%0.1622%0.215CC..  trans-83.783.2178.2-68.6-74000110.9L364 W371 A372L364-N369 HydrophobicContact CB-CB 4.31Å; L364-N369 VanDerWaalsContact O-CB 3.22Å; L364-N369 WeakPolarHBondContact O-CB 3.48Å; L364-N369 PolarHBondContact O-N 3.31Å; L364-N369 PolarHBondContact O-ND2 2.96Å; N369-W371 HydrophobicContact CB-CD2 4.26Å; N369-W371 HydrophobicContact CB-CZ2 3.78Å; N369-W371 PolarHBondContact O-N 3.43Å; N369-W371 VanDerWaalsContact O-N 3.14Å; N369-W371 PolarHBondContact OD1-NE1 3.48Å; N369-A372 VanDerWaalsContact O-CB 3.25Å; N369-A372 WeakPolarHBondContact O-CB 3.26Å; N369-A372 PolarHBondContact O-N 2.98Å
370S96.2Very high96.6Very high87 Ų8741 Ų4161%0.60821%0.21SC*.G310 helixtrans-58.5-26.9-179.859.20000113.8G368 A372 E373G368-S370 PolarHBondContact O-N 3.07Å; G368-S370 VanDerWaalsContact O-N 3.12Å; S370-A372 PolarHBondContact O-N 3.31Å; S370-A372 VanDerWaalsContact O-N 3.12Å; S370-E373 WeakPolarHBondContact O-CB 3.34Å; S370-E373 WeakPolarHBondContact O-CG 3.33Å; S370-E373 PolarHBondContact O-N 3.46Å; S370-E373 VanDerWaalsContact O-N 3.15Å
371W96.9Very high96.4Very high35 Ų3541 Ų4113%0.13321%0.21CC..G310 helixtrans-62.4-17.2175.357.6-98.1000113.6A333 I334 K337 F342 L364 N369 E373 R374A333-W371 HydrophobicContact CB-CH2 3.93Å; A333-W371 HydrophobicContact CB-CZ3 4.41Å; I334-W371 HydrophobicContact CG1-CZ2 4.31Å; K337-W371 HydrophobicContact CB-CD2 4.32Å; K337-W371 HydrophobicContact CB-CH2 4.29Å; K337-W371 HydrophobicContact CB-CZ2 3.96Å; K337-W371 HydrophobicContact CD-CB 4.36Å; K337-W371 HydrophobicContact CD-CD2 3.99Å; K337-W371 HydrophobicContact CD-CE3 4.48Å; K337-W371 HydrophobicContact CD-CG 3.92Å; K337-W371 HydrophobicContact CG-CD2 3.92Å; K337-W371 HydrophobicContact CG-CG 4.09Å; K337-W371 HydrophobicContact CG-CZ2 4.22Å; F342-W371 AromaticContact CE2-CE3 3.96Å; F342-W371 HydrophobicContact CE2-CE3 3.96Å; F342-W371 HydrophobicContact CE2-CZ3 4.41Å; F342-W371 AromaticContact CZ-CE3 3.75Å; F342-W371 HydrophobicContact CZ-CE3 3.75Å; F342-W371 AromaticContact CZ-CZ3 3.79Å; F342-W371 HydrophobicContact CZ-CZ3 3.79Å; L364-W371 HydrophobicContact CD1-CH2 3.93Å; L364-W371 HydrophobicContact CD1-CZ3 4.16Å; L364-W371 HydrophobicContact CD2-CH2 3.92Å; L364-W371 HydrophobicContact CD2-CZ2 4.24Å; L364-W371 HydrophobicContact CG-CH2 4.46Å; N369-W371 HydrophobicContact CB-CD2 4.26Å; N369-W371 HydrophobicContact CB-CZ2 3.78Å; N369-W371 PolarHBondContact O-N 3.43Å; N369-W371 VanDerWaalsContact O-N 3.14Å; N369-W371 PolarHBondContact OD1-NE1 3.48Å; W371-E373 PolarHBondContact O-N 3.27Å; W371-R374 WeakPolarHBondContact O-CB 3.32Å; W371-R374 PolarHBondContact O-N 3.25Å
372A97.3Very high95.9Very high2 Ų244.9 Ų44.92%0.01723%0.231CC..G310 helixtrans-64.1-18.8174.900000113L364 R365 N369 S370 R374 C375L364-A372 HydrophobicContact CB-CB 3.67Å; L364-A372 HydrophobicContact CD1-CB 4.37Å; R365-A372 HydrophobicContact CG-CB 3.88Å; N369-A372 VanDerWaalsContact O-CB 3.25Å; N369-A372 WeakPolarHBondContact O-CB 3.26Å; N369-A372 PolarHBondContact O-N 2.98Å; S370-A372 PolarHBondContact O-N 3.31Å; S370-A372 VanDerWaalsContact O-N 3.12Å; A372-R374 PolarHBondContact O-N 2.84Å; A372-C375 WeakPolarHBondContact O-CB 3.5Å; A372-C375 PolarHBondContact O-N 3.03Å; A372-C375 VanDerWaalsContact O-N 3.12Å
373E96.1Very high95.4Very high144 Ų14443.7 Ų43.767%0.67323%0.228SC*.G310 helixtrans-65.3-19.7169.8-65.1179.7176.700113.1S370 W371S370-E373 WeakPolarHBondContact O-CB 3.34Å; S370-E373 WeakPolarHBondContact O-CG 3.33Å; S370-E373 PolarHBondContact O-N 3.46Å; S370-E373 VanDerWaalsContact O-N 3.15Å; W371-E373 PolarHBondContact O-N 3.27Å
374R95.8Very high94.8Very high97 Ų9748.7 Ų48.737%0.36625%0.251SS..G310 helixtrans-96.93.3176.4-54.6-71.1-67.8-171.1-1.2112.3D343 D344 M345 W371 A372D343-R374 WeakPolarHBondContact O-CB 3.28Å; D343-R374 WeakPolarHBondContact O-CG 3.38Å; D343-R374 PolarHBondContact O-NE 2.74Å; D344-R374 VanDerWaalsContact CG-NH2 3.32Å; D344-R374 IonicContact OD1-CZ 2.64Å; D344-R374 VanDerWaalsContact OD1-CZ 3.3Å; D344-R374 IonicContact OD1-NE 3.12Å; D344-R374 PolarHBondContact OD1-NE 2.61Å; D344-R374 VanDerWaalsContact OD1-NE 3.11Å; D344-R374 IonicContact OD1-NH2 3.08Å; D344-R374 PolarHBondContact OD1-NH2 3.05Å; D344-R374 IonicContact OD2-CZ 2.87Å; D344-R374 IonicContact OD2-NE 3.65Å; D344-R374 IonicContact OD2-NH2 3.14Å; D344-R374 PolarHBondContact OD2-NH2 3.31Å; M345-R374 PolarHBondContact N-O 2.92Å; M345-R374 VanDerWaalsContact N-O 3.14Å; W371-R374 WeakPolarHBondContact O-CB 3.32Å; W371-R374 PolarHBondContact O-N 3.25Å; A372-R374 PolarHBondContact O-N 2.84Å
375C98Very high93.7Very high10 Ų1051.2 Ų51.27%0.06828%0.277CS..EExtended strand (participates in β ladder)trans-85.3134169.6-64.10000109.8M345 Y347 F361 A372M345-C375 CarbonylContact O-C 3.49Å; M345-C375 VanDerWaalsContact O-CA 3.28Å; M345-C375 WeakPolarHBondContact O-CA 3.49Å; Y347-C375 HydrophobicContact CE2-CB 4.32Å; F361-C375 HydrophobicContact CD1-CB 3.7Å; F361-C375 HydrophobicContact CE1-CB 3.49Å; F361-C375 VanDerWaalsContact CE1-CB 3.49Å; F361-C375 HydrophobicContact CE2-CB 4.39Å; F361-C375 HydrophobicContact CG-CB 4.28Å; F361-C375 HydrophobicContact CZ-CB 3.86Å; A372-C375 WeakPolarHBondContact O-CB 3.5Å; A372-C375 PolarHBondContact O-N 3.03Å; A372-C375 VanDerWaalsContact O-N 3.12Å
376R97.6Very high92.6Very high84 Ų8446.7 Ų46.732%0.31726%0.261SS..EExtended strand (participates in β ladder)trans-129.5137.3179.9-55.4-176.3-149.1-1766.4110D344 M345 I346 Y347D344-R376 IonicContact OD1-CZ 3.57Å; D344-R376 IonicContact OD1-NE 2.73Å; D344-R376 IonicContact OD1-NH2 3.74Å; D344-R376 PolarHBondContact OD1-NH2 3.38Å; M345-R376 PolarHBondContact O-N 3.4Å; I346-R376 WeakPolarHBondContact CA-O 3.39Å; Y347-R376 PolarHBondContact N-O 3.43Å
377H98.3Very high91.2Very high36 Ų3649.8 Ų49.817%0.16727%0.269CS..EExtended strand (participates in β ladder)trans-99.6121.2168.7178.1-141.9000108.8T349 F357 F361T349-H377 PolarHBondContact OG1-NE2 2.86Å; F357-H377 HydrophobicContact CB-CB 3.85Å; F357-H377 HydrophobicContact CD2-CB 4.48Å; F357-H377 AromaticContact CD2-CD2 3.5Å; F357-H377 VanDerWaalsContact CD2-CD2 3.5Å; F357-H377 WeakPolarHBondContact CD2-CD2 3.13Å; F357-H377 AromaticContact CD2-CE1 3.79Å; F357-H377 AromaticContact CD2-CG 3.75Å; F357-H377 AromaticContact CD2-ND1 3.94Å; F357-H377 AromaticContact CD2-NE2 3.53Å; F357-H377 AromaticContact CE2-CD2 3.93Å; F357-H377 AromaticContact CE2-NE2 3.91Å; F357-H377 HydrophobicContact CG-CB 4.12Å; F357-H377 AromaticContact CG-CD2 3.98Å; F357-H377 AromaticContact CG-CG 3.88Å; F361-H377 HydrophobicContact CE2-CB 4.04Å; F361-H377 HydrophobicContact CZ-CB 4.28Å
378V98.2Very high89.4Confident13 Ų1351 Ų518%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-103.395.5171.1179.30000107.3I153 I157 I346 Y347 V348 T349 L444 L519I153-V378 HydrophobicContact CG2-CG1 4.26Å; I157-V378 HydrophobicContact CD1-CB 4.3Å; I157-V378 HydrophobicContact CD1-CG1 4.05Å; I157-V378 HydrophobicContact CD1-CG2 4.04Å; I346-V378 HydrophobicContact CG2-CB 4.46Å; I346-V378 HydrophobicContact CG2-CG2 3.7Å; Y347-V378 PolarHBondContact O-N 3.35Å; V348-V378 HydrophobicContact CG2-CB 4.41Å; T349-V378 PolarHBondContact N-O 3.03Å; V378-L444 HydrophobicContact CG1-CD1 4Å; V378-L519 HydrophobicContact CG2-CB 4.22Å; V378-L519 HydrophobicContact CG2-CD1 3.55Å
379S96.6Very high87.5Confident8 Ų858.6 Ų58.66%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-79.8155.2175.1340000113T349 E354 Q445T349-S379 VanDerWaalsContact O-CA 3.27Å; T349-S379 WeakPolarHBondContact O-CA 3.28Å; E354-S379 WeakPolarHBondContact OE1-CB 3.48Å; E354-S379 PolarHBondContact OE1-OG 3.08Å; S379-Q445 PolarHBondContact O-NE2 3.34Å; S379-Q445 PolarHBondContact OG-NE2 3.45Å
380F95.8Very high85.4Confident11 Ų1162.3 Ų62.35%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-141.4156.6173.759.2-100.8000112.4R149 S150 I153 V348 T349 D350 K351 L444R149-F380 HydrophobicContact CB-CD2 3.73Å; R149-F380 HydrophobicContact CB-CE2 3.68Å; R149-F380 HydrophobicContact CB-CG 4.25Å; R149-F380 HydrophobicContact CB-CZ 4.16Å; R149-F380 HydrophobicContact CG-CD2 4.39Å; R149-F380 HydrophobicContact CG-CE2 4.49Å; S150-F380 VanDerWaalsContact CA-CE1 3.5Å; I153-F380 HydrophobicContact CD1-CB 3.65Å; I153-F380 HydrophobicContact CD1-CD1 3.67Å; I153-F380 HydrophobicContact CD1-CG 3.72Å; V348-F380 HydrophobicContact CG1-CD1 4.15Å; V348-F380 HydrophobicContact CG1-CE1 4.11Å; T349-F380 WeakPolarHBondContact O-CD1 3.5Å; T349-F380 WeakPolarHBondContact O-CE1 3.4Å; T349-F380 PolarHBondContact O-N 3.21Å; D350-F380 HydrophobicContact CB-CD2 4.38Å; D350-F380 HydrophobicContact CB-CE2 3.82Å; D350-F380 HydrophobicContact CB-CZ 4.09Å; K351-F380 PolarHBondContact N-O 2.63Å; F380-L444 CarbonylContact C-O 3.36Å; F380-L444 VanDerWaalsContact CA-O 3.26Å; F380-L444 WeakPolarHBondContact CA-O 3.39Å; F380-L444 HydrophobicContact CB-CB 4.3Å; F380-L444 WeakPolarHBondContact CB-O 3.26Å
381G93.3Very high83.4Confident0 Ų060 Ų600%030%0.301CS..  trans-79.4178.7176.900000114.4R149 L444 D447R149-G381 VanDerWaalsContact CD-O 3.28Å; R149-G381 WeakPolarHBondContact CD-O 3.45Å; R149-G381 PolarHBondContact NH1-O 3.3Å; G381-L444 PolarHBondContact N-O 3.44Å; G381-D447 WeakPolarHBondContact CA-OD1 3.35Å
382L88.1Confident81.4Confident97 Ų9765 Ų6551%0.50833%0.326SS..PPolyproline II helixtrans-90.2150.9-177.2-60.1177.2000112.8D447 Y448L382-D447 PolarHBondContact N-OD1 3.45Å; L382-D447 WeakPolarHBondContact O-CA 3.14Å; L382-Y448 PolarHBondContact O-N 3.06Å
383V85.5Confident79.4Confident28 Ų2870.1 Ų70.117%0.1736%0.356CS..EExtended strand (participates in β ladder)trans-89.2121.6167.3-168.40000109.2R149 M386 Y448 F450R149-V383 VanDerWaalsContact CD-CG2 3.49Å; R149-V383 HydrophobicContact CG-CG2 3.53Å; V383-M386 HydrophobicContact CG1-CB 4.11Å; V383-M386 HydrophobicContact CG1-CE 3.81Å; V383-Y448 HydrophobicContact CB-CE1 4.39Å; V383-Y448 HydrophobicContact CG1-CE1 4.28Å; V383-Y448 HydrophobicContact CG1-CE2 3.85Å; V383-Y448 HydrophobicContact CG2-CE1 3.69Å; V383-F450 HydrophobicContact CG1-CB 3.86Å; V383-F450 HydrophobicContact CG1-CD2 4.43Å
384Q83.1Confident78.1Confident106 Ų10663.5 Ų63.550%0.49533%0.326SS..EExtended strand (participates in β ladder)trans-101.6135.9178.8-62.6-178.5-9.900110.8M386 Y448 F450Q384-M386 PolarHBondContact O-N 3.2Å; Q384-Y448 PolarHBondContact N-O 2.87Å; Q384-F450 PolarHBondContact O-N 3.47Å
385G75.3Confident77.3Confident52 Ų5260.3 Ų60.354%0.53632%0.315SS..  trans7713.8169.900000116K387G385-K387 PolarHBondContact O-N 3.27Å
386M73.2Confident76.7Confident21 Ų2159.9 Ų59.910%0.10331%0.312CS..  trans-70.6102.2172.4-166.4178.8-75.400109.6A145 L148 V383 Q384 V399 F450A145-M386 HydrophobicContact CB-CB 4.17Å; A145-M386 HydrophobicContact CB-CG 3.96Å; A145-M386 HydrophobicContact CB-SD 3.22Å; A145-M386 WeakPolarHBondContact CB-SD 3.47Å; L148-M386 HydrophobicContact CD2-CE 4.2Å; V383-M386 HydrophobicContact CG1-CB 4.11Å; V383-M386 HydrophobicContact CG1-CE 3.81Å; Q384-M386 PolarHBondContact O-N 3.2Å; M386-V399 HydrophobicContact CG-CG2 4.45Å; M386-V399 HydrophobicContact SD-CG1 3.97Å; M386-V399 HydrophobicContact SD-CG2 3.84Å; M386-F450 HydrophobicContact CB-CB 4.11Å; M386-F450 HydrophobicContact CB-CD1 4.14Å; M386-F450 HydrophobicContact CB-CG 4.01Å; M386-F450 HydrophobicContact CE-CD2 3.27Å; M386-F450 HydrophobicContact CE-CE2 3.34Å; M386-F450 HydrophobicContact CE-CG 3.95Å; M386-F450 HydrophobicContact CE-CZ 4.06Å; M386-F450 HydrophobicContact CG-CD1 3.94Å; M386-F450 HydrophobicContact CG-CD2 4.25Å; M386-F450 HydrophobicContact CG-CE1 4.05Å; M386-F450 HydrophobicContact CG-CE2 4.35Å; M386-F450 HydrophobicContact CG-CG 4.01Å; M386-F450 HydrophobicContact CG-CZ 4.23Å; M386-F450 HydrophobicContact SD-CE2 4.44Å
387K63.2Low76.3Confident125 Ų12558.6 Ų58.654%0.54331%0.309SS..  trans-131.4147.6179.5-63.5-172.9178.4-168.30110.1G385 W452G385-K387 PolarHBondContact O-N 3.27Å; K387-W452 PolarHBondContact O-NE1 2.68Å
388T57Low75.7Confident26 Ų2659.7 Ų59.716%0.1632%0.316CS..  trans-76.6172.5167.146.40000110.7T390 G391 V394 D398T388-T390 PolarHBondContact O-N 3.34Å; T388-T390 PolarHBondContact OG1-OG1 3.45Å; T388-T390 VanDerWaalsContact OG1-OG1 3.12Å; T388-G391 PolarHBondContact O-N 3.1Å; T388-V394 HydrophobicContact CG2-CB 4.25Å; T388-V394 HydrophobicContact CG2-CG1 3.36Å; T388-V394 HydrophobicContact CG2-CG2 3.84Å; T388-D398 HydrophobicContact CG2-CB 4.12Å
389R56.3Low75.2Confident218 Ų21859.1 Ų59.182%0.82331%0.313SS*.THydrogen-bonded Turntrans-52.8-25174-89.5177.971.2163.50.1114.2
390T51.2Low75Confident108 Ų10858.8 Ų58.866%0.66331%0.31SS*.THydrogen-bonded Turntrans-88.1-10179.754.90000113.8T388 E392T388-T390 PolarHBondContact O-N 3.34Å; T388-T390 PolarHBondContact OG1-OG1 3.45Å; T388-T390 VanDerWaalsContact OG1-OG1 3.12Å; T390-E392 VanDerWaalsContact C-N 3.32Å; T390-E392 PolarHBondContact O-N 3.43Å
391G53.8Low74.8Confident38 Ų3860.6 Ų60.639%0.39232%0.321SS..  trans80.22.3173.700000116.3T388T388-G391 PolarHBondContact O-N 3.1Å
392E55.7Low74.6Confident142 Ų14262.2 Ų62.266%0.66433%0.328SS*.SBendtrans-84.1169.5-177.9-65.1-172160.600113.6T390 V394T390-E392 VanDerWaalsContact C-N 3.32Å; T390-E392 PolarHBondContact O-N 3.43Å; E392-V394 WeakPolarHBondContact O-CG2 3.06Å; E392-V394 PolarHBondContact O-N 3.41Å
393V55.1Low74.8Confident108 Ų10857.6 Ų57.666%0.65530%0.304SS*.PPolyproline II helixtrans-59.9124.3170.4179.60000108.6K142K142-V393 HydrophobicContact CD-CG1 4.08Å; K142-V393 WeakPolarHBondContact CE-O 3.38Å; K142-V393 PolarHBondContact NZ-O 3.13Å
394V68.2Low75.2Confident5 Ų559.7 Ų59.73%0.0331%0.309CS..PPolyproline II helixtrans-100.9129.3-164.2-168.40000112.4H144 A145 T388 E392 D398 V399H144-V394 VanDerWaalsContact CA-O 3.26Å; H144-V394 WeakPolarHBondContact CA-O 2.93Å; H144-V394 WeakPolarHBondContact CB-O 3.38Å; A145-V394 PolarHBondContact N-O 3.04Å; T388-V394 HydrophobicContact CG2-CB 4.25Å; T388-V394 HydrophobicContact CG2-CG1 3.36Å; T388-V394 HydrophobicContact CG2-CG2 3.84Å; E392-V394 WeakPolarHBondContact O-CG2 3.06Å; E392-V394 PolarHBondContact O-N 3.41Å; V394-D398 HydrophobicContact CG1-CB 3.67Å; V394-V399 HydrophobicContact CB-CG2 4.22Å; V394-V399 HydrophobicContact CG1-CG2 3.43Å; V394-V399 VanDerWaalsContact CG1-CG2 3.43Å
395F80.5Confident75.7Confident31 Ų3157.2 Ų57.214%0.13631%0.307CS..BIsolated β-bridgetrans-69.9150168.4-71.4-84.2000108.9K142 F206 E397 D398 V399K142-F395 HydrophobicContact CB-CE1 4.21Å; K142-F395 HydrophobicContact CD-CD1 3.81Å; K142-F395 HydrophobicContact CD-CD2 4.22Å; K142-F395 HydrophobicContact CD-CE1 3.58Å; K142-F395 HydrophobicContact CD-CE2 3.97Å; K142-F395 HydrophobicContact CD-CG 4.1Å; K142-F395 HydrophobicContact CD-CZ 3.64Å; K142-F395 VanDerWaalsContact CE-CA 3.47Å; K142-F395 VanDerWaalsContact CE-CD1 3.47Å; K142-F395 HydrophobicContact CG-CD1 3.54Å; K142-F395 HydrophobicContact CG-CE1 3.44Å; K142-F395 VanDerWaalsContact CG-CE1 3.44Å; K142-F395 HydrophobicContact CG-CG 4.23Å; K142-F395 HydrophobicContact CG-CZ 4.04Å; F206-F395 AromaticContact CD1-CZ 3.98Å; F206-F395 HydrophobicContact CD1-CZ 3.98Å; F206-F395 HydrophobicContact CG-CZ 4.3Å; F395-E397 PolarHBondContact O-N 3.07Å; F395-D398 VanDerWaalsContact CB-OD2 3.29Å; F395-D398 WeakPolarHBondContact CB-OD2 3.21Å; F395-D398 WeakPolarHBondContact CD2-OD2 3.27Å; F395-D398 PolarHBondContact N-OD2 3.43Å; F395-D398 WeakPolarHBondContact O-CB 3.46Å; F395-D398 PolarHBondContact O-N 2.74Å; F395-D398 VanDerWaalsContact O-N 3.1Å; F395-V399 PolarHBondContact O-N 3.19Å
396L85.8Confident76.4Confident0 Ų057.6 Ų57.60%029%0.292CS..Hα-helixtrans-57.4-39.8177.4-17756.2000111.4F143 L148 V258 L262 D398 V399 L400F143-L396 HydrophobicContact CD1-CB 3.93Å; F143-L396 HydrophobicContact CD1-CD2 4.05Å; F143-L396 HydrophobicContact CE1-CB 4.12Å; F143-L396 HydrophobicContact CE1-CD2 3.36Å; F143-L396 HydrophobicContact CE1-CG 4.31Å; F143-L396 HydrophobicContact CZ-CD2 3.64Å; F143-L396 PolarHBondContact O-N 2.94Å; L148-L396 HydrophobicContact CB-CD1 3.84Å; L148-L396 HydrophobicContact CD1-CD1 3.97Å; L148-L396 HydrophobicContact CG-CD1 4.31Å; V258-L396 HydrophobicContact CG1-CB 4.49Å; V258-L396 HydrophobicContact CG1-CD2 3.97Å; V258-L396 HydrophobicContact CG1-CG 4.14Å; L262-L396 HydrophobicContact CD1-CD2 4.11Å; L396-D398 PolarHBondContact O-N 3.49Å; L396-V399 HydrophobicContact CD1-CB 4.48Å; L396-V399 WeakPolarHBondContact O-CB 3.32Å; L396-V399 PolarHBondContact O-N 3.16Å; L396-V399 VanDerWaalsContact O-N 3.09Å; L396-L400 WeakPolarHBondContact O-CG 3.42Å; L396-L400 PolarHBondContact O-N 2.75Å; L396-L400 VanDerWaalsContact O-N 3.1Å
397E87.9Confident77.3Confident57 Ų5757 Ų5727%0.26629%0.289SS..Hα-helixtrans-53.2-49.3173179.9129.9-11500112.8H257 R261 F395 V399 L400 D401H257-E397 IonicContact CD2-OE1 3.97Å; R261-E397 IonicContact CZ-OE1 3.3Å; R261-E397 IonicContact NH1-OE1 3.11Å; R261-E397 PolarHBondContact NH1-OE1 2.71Å; F395-E397 PolarHBondContact O-N 3.07Å; E397-V399 PolarHBondContact O-N 3.04Å; E397-L400 WeakPolarHBondContact O-CB 3.49Å; E397-L400 PolarHBondContact O-N 3.02Å; E397-D401 PolarHBondContact O-N 3.32Å
398D86.4Confident78.7Confident59 Ų5952.8 Ų52.832%0.31627%0.273SS..Hα-helixtrans-59.2-35.8176.9-52-34.9000112T388 V394 F395 L396 D401 E402T388-D398 HydrophobicContact CG2-CB 4.12Å; V394-D398 HydrophobicContact CG1-CB 3.67Å; F395-D398 VanDerWaalsContact CB-OD2 3.29Å; F395-D398 WeakPolarHBondContact CB-OD2 3.21Å; F395-D398 WeakPolarHBondContact CD2-OD2 3.27Å; F395-D398 PolarHBondContact N-OD2 3.43Å; F395-D398 WeakPolarHBondContact O-CB 3.46Å; F395-D398 PolarHBondContact O-N 2.74Å; F395-D398 VanDerWaalsContact O-N 3.1Å; L396-D398 PolarHBondContact O-N 3.49Å; D398-D401 PolarHBondContact O-N 3.46Å; D398-E402 VanDerWaalsContact O-CB 3.3Å; D398-E402 WeakPolarHBondContact O-CB 3.38Å; D398-E402 PolarHBondContact O-N 3.06Å
399V88Confident80.3Confident1 Ų156.4 Ų56.41%0.00629%0.287CS..Hα-helixtrans-63.9-43.6175.3-177.80000110.2A145 M386 V394 F395 L396 E397 A403 L435 W452A145-V399 HydrophobicContact CB-CG2 4.33Å; M386-V399 HydrophobicContact CG-CG2 4.45Å; M386-V399 HydrophobicContact SD-CG1 3.97Å; M386-V399 HydrophobicContact SD-CG2 3.84Å; V394-V399 HydrophobicContact CB-CG2 4.22Å; V394-V399 HydrophobicContact CG1-CG2 3.43Å; V394-V399 VanDerWaalsContact CG1-CG2 3.43Å; F395-V399 PolarHBondContact O-N 3.19Å; L396-V399 HydrophobicContact CD1-CB 4.48Å; L396-V399 WeakPolarHBondContact O-CB 3.32Å; L396-V399 PolarHBondContact O-N 3.16Å; L396-V399 VanDerWaalsContact O-N 3.09Å; E397-V399 PolarHBondContact O-N 3.04Å; V399-A403 WeakPolarHBondContact O-CB 3.29Å; V399-A403 PolarHBondContact O-N 3.14Å; V399-L435 HydrophobicContact CG1-CD1 4.18Å; V399-L435 HydrophobicContact CG1-CD2 4.13Å; V399-W452 HydrophobicContact CG1-CH2 3.83Å; V399-W452 HydrophobicContact CG1-CZ2 4.09Å; V399-W452 WeakPolarHBondContact O-CH2 3.2Å
400L91.7Very high81.8Confident1 Ų148.9 Ų48.91%0.00526%0.263CS..Hα-helixtrans-67.3-40.5179.4-57.2-176.3000111.3V258 R261 L262 L396 E397 A403 R404 I432 L435V258-L400 HydrophobicContact CG1-CD1 4.2Å; R261-L400 HydrophobicContact CB-CD1 4.04Å; L262-L400 HydrophobicContact CD2-CD1 4.2Å; L262-L400 HydrophobicContact CD2-CD2 3.74Å; L262-L400 HydrophobicContact CG-CD1 4.15Å; L396-L400 WeakPolarHBondContact O-CG 3.42Å; L396-L400 PolarHBondContact O-N 2.75Å; L396-L400 VanDerWaalsContact O-N 3.1Å; E397-L400 WeakPolarHBondContact O-CB 3.49Å; E397-L400 PolarHBondContact O-N 3.02Å; L400-A403 PolarHBondContact O-N 3.16Å; L400-R404 PolarHBondContact O-N 2.6Å; L400-I432 HydrophobicContact CD2-CG1 4.17Å; L400-L435 HydrophobicContact CD2-CD1 3.92Å
401D91.9Very high83.5Confident50 Ų5044 Ų4427%0.26723%0.233SC..Hα-helixtrans-65.1-42.7176.7-71.4-21.5000112R261 E397 D398 R404 A405R261-D401 IonicContact CZ-OD1 3.16Å; R261-D401 IonicContact NH1-OD1 2.97Å; R261-D401 PolarHBondContact NH1-OD1 3.37Å; R261-D401 VanDerWaalsContact NH1-OD1 3.09Å; R261-D401 IonicContact NH1-OD2 3.61Å; R261-D401 IonicContact NH2-OD1 3.18Å; R261-D401 PolarHBondContact NH2-OD1 2.74Å; E397-D401 PolarHBondContact O-N 3.32Å; D398-D401 PolarHBondContact O-N 3.46Å; D401-R404 PolarHBondContact O-N 2.85Å; D401-R404 IonicContact OD1-CZ 2.74Å; D401-R404 IonicContact OD1-NH2 2.79Å; D401-R404 PolarHBondContact OD1-NH2 3.29Å; D401-R404 VanDerWaalsContact OD1-NH2 3.1Å; D401-A405 VanDerWaalsContact O-CB 3.3Å; D401-A405 WeakPolarHBondContact O-CB 3.47Å; D401-A405 PolarHBondContact O-N 3.17Å
402E89.8Confident85Confident33 Ų3348.1 Ų48.115%0.15425%0.246CC..Hα-helixtrans-63-42.1174.4-177.270.7-174.800111.2D398 A405 R406 W452D398-E402 VanDerWaalsContact O-CB 3.3Å; D398-E402 WeakPolarHBondContact O-CB 3.38Å; D398-E402 PolarHBondContact O-N 3.06Å; E402-A405 PolarHBondContact O-N 3.08Å; E402-R406 WeakPolarHBondContact O-CB 3.26Å; E402-R406 WeakPolarHBondContact O-CG 3.22Å; E402-R406 PolarHBondContact O-N 3.28Å; E402-R406 IonicContact OE1-CZ 2.63Å; E402-R406 IonicContact OE1-NE 3.21Å; E402-R406 PolarHBondContact OE1-NE 3.21Å; E402-R406 IonicContact OE1-NH2 2.96Å; E402-R406 PolarHBondContact OE1-NH2 3.3Å; E402-W452 HydrophobicContact CB-CH2 4.1Å; E402-W452 HydrophobicContact CB-CZ2 3.95Å; E402-W452 HydrophobicContact CG-CD2 4.35Å; E402-W452 HydrophobicContact CG-CH2 4.03Å; E402-W452 HydrophobicContact CG-CZ2 3.62Å; E402-W452 HydrophobicContact CG-CZ3 4.5Å
403A91.6Very high86.4Confident1 Ų147.4 Ų47.41%0.00824%0.243CC..Hα-helixtrans-60.7-46.5176.300000111.5V399 L400 M407 L435 W452V399-A403 WeakPolarHBondContact O-CB 3.29Å; V399-A403 PolarHBondContact O-N 3.14Å; L400-A403 PolarHBondContact O-N 3.16Å; A403-M407 VanDerWaalsContact O-CB 3.29Å; A403-M407 WeakPolarHBondContact O-CB 3.34Å; A403-M407 PolarHBondContact O-N 3.26Å; A403-L435 HydrophobicContact CB-CD1 4.07Å; A403-W452 HydrophobicContact CB-CH2 3.97Å; A403-W452 HydrophobicContact CB-CZ3 3.7Å
404R94.5Very high87.7Confident72 Ų7244.5 Ų44.527%0.27223%0.227SC..Hα-helixtrans-60.6-50.3175.3179.7-178.964.5-158-4.8111.1L400 D401 R406 M407 L408 A427 E428L400-R404 PolarHBondContact O-N 2.6Å; D401-R404 PolarHBondContact O-N 2.85Å; D401-R404 IonicContact OD1-CZ 2.74Å; D401-R404 IonicContact OD1-NH2 2.79Å; D401-R404 PolarHBondContact OD1-NH2 3.29Å; D401-R404 VanDerWaalsContact OD1-NH2 3.1Å; R404-R406 PolarHBondContact O-N 2.79Å; R404-M407 PolarHBondContact O-N 3Å; R404-L408 WeakPolarHBondContact O-CB 3.34Å; R404-L408 PolarHBondContact O-N 3.16Å; R404-A427 HydrophobicContact CG-CB 4.18Å; R404-E428 HydrophobicContact CB-CB 4.35Å; R404-E428 HydrophobicContact CG-CB 4.12Å; R404-E428 IonicContact NH1-OE2 3.19Å
405A92.8Very high88Confident54 Ų5452.3 Ų52.345%0.44627%0.269SS..Hα-helixtrans-61.8-45-17600000112.4D401 E402 L408 H409D401-A405 VanDerWaalsContact O-CB 3.3Å; D401-A405 WeakPolarHBondContact O-CB 3.47Å; D401-A405 PolarHBondContact O-N 3.17Å; E402-A405 PolarHBondContact O-N 3.08Å; A405-L408 PolarHBondContact O-N 2.96Å; A405-H409 PolarHBondContact O-N 3.37Å
406R90.9Very high87.8Confident59 Ų5955.9 Ų55.922%0.22329%0.293CS..Hα-helixtrans-64.8-41.1175.7-71.1-177.8-178.6-113.5-4.9111.9E402 R404 H409 N410 D453 L456E402-R406 WeakPolarHBondContact O-CB 3.26Å; E402-R406 WeakPolarHBondContact O-CG 3.22Å; E402-R406 PolarHBondContact O-N 3.28Å; E402-R406 IonicContact OE1-CZ 2.63Å; E402-R406 IonicContact OE1-NE 3.21Å; E402-R406 PolarHBondContact OE1-NE 3.21Å; E402-R406 IonicContact OE1-NH2 2.96Å; E402-R406 PolarHBondContact OE1-NH2 3.3Å; R404-R406 PolarHBondContact O-N 2.79Å; R406-H409 WeakPolarHBondContact O-CB 3.49Å; R406-H409 PolarHBondContact O-N 3.38Å; R406-N410 VanDerWaalsContact O-CG 3.28Å; R406-N410 PolarHBondContact O-N 3.23Å; R406-N410 PolarHBondContact O-OD1 2.96Å; R406-D453 IonicContact NH1-OD1 3.67Å; R406-D453 PolarHBondContact NH1-OD1 3.41Å; R406-L456 HydrophobicContact CB-CD1 3.46Å; R406-L456 VanDerWaalsContact CB-CD1 3.46Å; R406-L456 HydrophobicContact CG-CD1 4.19Å
407M91.8Very high87.3Confident9 Ų957.9 Ų57.94%0.04431%0.305CS..Hα-helixtrans-67.3-40.4179-165.461.7-117.500111.6A403 R404 H409 N410 M411 A427 V430 V464A403-M407 VanDerWaalsContact O-CB 3.29Å; A403-M407 WeakPolarHBondContact O-CB 3.34Å; A403-M407 PolarHBondContact O-N 3.26Å; R404-M407 PolarHBondContact O-N 3Å; M407-H409 VanDerWaalsContact C-N 3.31Å; M407-H409 PolarHBondContact O-N 3.36Å; M407-N410 HydrophobicContact CE-CB 3.77Å; M407-N410 PolarHBondContact O-N 2.84Å; M407-M411 HydrophobicContact CE-CG 3.64Å; M407-M411 HydrophobicContact CE-SD 4.3Å; M407-M411 HydrophobicContact CG-SD 4.13Å; M407-M411 WeakPolarHBondContact O-CB 3.47Å; M407-M411 VanDerWaalsContact O-CG 3.27Å; M407-M411 WeakPolarHBondContact O-CG 3.37Å; M407-M411 PolarHBondContact O-N 3.36Å; M407-A427 HydrophobicContact CB-CB 4.15Å; M407-A427 HydrophobicContact CG-CB 4.36Å; M407-V430 HydrophobicContact CE-CG1 4.22Å; M407-V430 HydrophobicContact CG-CB 3.87Å; M407-V430 HydrophobicContact CG-CG1 3.73Å; M407-V430 HydrophobicContact SD-CB 4.32Å; M407-V430 HydrophobicContact SD-CG1 3.49Å; M407-V430 WeakPolarHBondContact SD-CG1 3.42Å; M407-V464 HydrophobicContact CE-CG1 4.47Å; M407-V464 HydrophobicContact SD-CG1 4.47Å; M407-V464 HydrophobicContact SD-CG2 4.17Å
408L92.1Very high86.7Confident37 Ų3758.5 Ų58.519%0.19431%0.307CS..Hα-helixtrans-60.3-42.6174.3-172.466.9000111.2R404 A405 M411 N412 P423 A427R404-L408 WeakPolarHBondContact O-CB 3.34Å; R404-L408 PolarHBondContact O-N 3.16Å; A405-L408 PolarHBondContact O-N 2.96Å; L408-M411 PolarHBondContact O-N 3.43Å; L408-N412 WeakPolarHBondContact O-CB 3.47Å; L408-N412 VanDerWaalsContact O-CG 3.26Å; L408-N412 PolarHBondContact O-N 2.95Å; L408-N412 PolarHBondContact O-ND2 2.99Å; L408-P423 HydrophobicContact CD1-CB 3.99Å; L408-A427 HydrophobicContact CB-CB 3.95Å; L408-A427 HydrophobicContact CD1-CB 4.27Å
409H90.4Very high86.3Confident102 Ų10264.6 Ų64.647%0.47233%0.334SS..Hα-helixtrans-59.7-48.3173.7-176.272.8000112.2A405 R406 M407 M411 N412 Q413A405-H409 PolarHBondContact O-N 3.37Å; R406-H409 WeakPolarHBondContact O-CB 3.49Å; R406-H409 PolarHBondContact O-N 3.38Å; M407-H409 VanDerWaalsContact C-N 3.31Å; M407-H409 PolarHBondContact O-N 3.36Å; H409-M411 VanDerWaalsContact C-N 3.31Å; H409-M411 PolarHBondContact O-N 2.98Å; H409-N412 PolarHBondContact O-N 3.35Å; H409-Q413 PolarHBondContact CE1-NE2 3.39Å; H409-Q413 VanDerWaalsContact CE1-NE2 3.29Å; H409-Q413 VanDerWaalsContact NE2-CD 3.31Å; H409-Q413 PolarHBondContact NE2-NE2 3.13Å; H409-Q413 PolarHBondContact NE2-OE1 3.34Å; H409-Q413 WeakPolarHBondContact O-CG 3.48Å; H409-Q413 PolarHBondContact O-N 3.43Å; H409-Q413 VanDerWaalsContact O-N 3.12Å
410N87.9Confident86.1Confident59 Ų5966.1 Ų66.132%0.31634%0.342SS..Hα-helixtrans-61.5-38.8178.2-71.4-4.6000112.1R406 M407 Q413 S414R406-N410 VanDerWaalsContact O-CG 3.28Å; R406-N410 PolarHBondContact O-N 3.23Å; R406-N410 PolarHBondContact O-OD1 2.96Å; M407-N410 HydrophobicContact CE-CB 3.77Å; M407-N410 PolarHBondContact O-N 2.84Å; N410-Q413 PolarHBondContact O-N 3.01Å; N410-S414 PolarHBondContact O-N 3.03Å
411M86.7Confident85.6Confident7 Ų774.1 Ų74.13%0.03439%0.385CS..Hα-helixtrans-65.5-43.3176.4-73.1167.363.800111.5M407 L408 H409 Q413 S414 T417 L420 T426 A427M407-M411 HydrophobicContact CE-CG 3.64Å; M407-M411 HydrophobicContact CE-SD 4.3Å; M407-M411 HydrophobicContact CG-SD 4.13Å; M407-M411 WeakPolarHBondContact O-CB 3.47Å; M407-M411 VanDerWaalsContact O-CG 3.27Å; M407-M411 WeakPolarHBondContact O-CG 3.37Å; M407-M411 PolarHBondContact O-N 3.36Å; L408-M411 PolarHBondContact O-N 3.43Å; H409-M411 VanDerWaalsContact C-N 3.31Å; H409-M411 PolarHBondContact O-N 2.98Å; M411-Q413 VanDerWaalsContact C-N 3.29Å; M411-Q413 PolarHBondContact O-N 3.46Å; M411-S414 PolarHBondContact O-N 3.36Å; M411-T417 HydrophobicContact CB-CG2 4.13Å; M411-T417 HydrophobicContact CE-CG2 4.4Å; M411-T417 WeakPolarHBondContact O-CB 3.39Å; M411-T417 PolarHBondContact O-OG1 2.71Å; M411-L420 HydrophobicContact CE-CD1 3.22Å; M411-T426 HydrophobicContact CE-CG2 3.9Å; M411-A427 HydrophobicContact SD-CB 3.85Å
412N85.9Confident85.5Confident124 Ų12475.7 Ų75.766%0.66339%0.393SS*.Hα-helixtrans-67-28179.1-72.1-19.9000113.4L408 H409L408-N412 WeakPolarHBondContact O-CB 3.47Å; L408-N412 VanDerWaalsContact O-CG 3.26Å; L408-N412 PolarHBondContact O-N 2.95Å; L408-N412 PolarHBondContact O-ND2 2.99Å; H409-N412 PolarHBondContact O-N 3.35Å
413Q84.4Confident85.5Confident126 Ų12676.4 Ų76.459%0.58940%0.401SS*.Hα-helixtrans-84.9-13.3177.1-70.3-174.6-29.500113.8H409 N410 M411H409-Q413 PolarHBondContact CE1-NE2 3.39Å; H409-Q413 VanDerWaalsContact CE1-NE2 3.29Å; H409-Q413 VanDerWaalsContact NE2-CD 3.31Å; H409-Q413 PolarHBondContact NE2-NE2 3.13Å; H409-Q413 PolarHBondContact NE2-OE1 3.34Å; H409-Q413 WeakPolarHBondContact O-CG 3.48Å; H409-Q413 PolarHBondContact O-N 3.43Å; H409-Q413 VanDerWaalsContact O-N 3.12Å; N410-Q413 PolarHBondContact O-N 3.01Å; M411-Q413 VanDerWaalsContact C-N 3.29Å; M411-Q413 PolarHBondContact O-N 3.46Å
414S81.7Confident85.6Confident47 Ų4779.8 Ų79.833%0.32942%0.419SS..  trans-88.5121.5-178167.50000111.3N410 M411 T416 T417N410-S414 PolarHBondContact O-N 3.03Å; M411-S414 PolarHBondContact O-N 3.36Å; S414-T416 PolarHBondContact O-N 2.94Å; S414-T416 PolarHBondContact OG-N 3.46Å; S414-T416 PolarHBondContact OG-OG1 2.88Å; S414-T416 VanDerWaalsContact OG-OG1 3.04Å; S414-T417 WeakPolarHBondContact CB-OG1 3.13Å; S414-T417 PolarHBondContact O-N 3.02Å; S414-T417 PolarHBondContact O-OG1 3.48Å; S414-T417 PolarHBondContact OG-OG1 2.6Å
415N74.9Confident85.6Confident170 Ų17079.3 Ų79.391%0.90942%0.422SS*.THydrogen-bonded Turntrans-67.4-4.6175.4-61.5-24.6000114.1
416T75.8Confident85.6Confident105 Ų10577.4 Ų77.464%0.64440%0.404SS*.THydrogen-bonded Turntrans-109.2-3.6-176.963.10000113.9S414S414-T416 PolarHBondContact O-N 2.94Å; S414-T416 PolarHBondContact OG-N 3.46Å; S414-T416 PolarHBondContact OG-OG1 2.88Å; S414-T416 VanDerWaalsContact OG-OG1 3.04Å
417T75.3Confident85.8Confident42 Ų4274.6 Ų74.626%0.25839%0.394SS..PPolyproline II helixtrans-62.7131.9174.7-540000109.3M411 S414 M581M411-T417 HydrophobicContact CB-CG2 4.13Å; M411-T417 HydrophobicContact CE-CG2 4.4Å; M411-T417 WeakPolarHBondContact O-CB 3.39Å; M411-T417 PolarHBondContact O-OG1 2.71Å; S414-T417 WeakPolarHBondContact CB-OG1 3.13Å; S414-T417 PolarHBondContact O-N 3.02Å; S414-T417 PolarHBondContact O-OG1 3.48Å; S414-T417 PolarHBondContact OG-OG1 2.6Å; T417-M581 WeakPolarHBondContact CG2-OXT 3.3Å
418K75.8Confident86Confident70 Ų7075.6 Ų75.630%0.30440%0.398SS..PPolyproline II helixtrans-79.3162.6176.6-68.9-174.2172.2-1700111.2L420 S475K418-L420 WeakPolarHBondContact O-CG 3.07Å; K418-L420 PolarHBondContact O-N 2.62Å; K418-S475 VanDerWaalsContact NZ-CB 3.3Å; K418-S475 PolarHBondContact NZ-OG 3.38Å
419E78.9Confident86.2Confident188 Ų18876.8 Ų76.888%0.87940%0.402SS*.PPolyproline II helixtrans-63.1128.5162.9-70.6179.6172.600109.3
420L82.6Confident86.5Confident33 Ų3371.9 Ų71.917%0.17338%0.379CS..  trans-122137.9-176.4-59.5173.1000109.1M411 K418 N422 P423 T426 K580M411-L420 HydrophobicContact CE-CD1 3.22Å; K418-L420 WeakPolarHBondContact O-CG 3.07Å; K418-L420 PolarHBondContact O-N 2.62Å; L420-N422 VanDerWaalsContact C-N 3.27Å; L420-N422 PolarHBondContact O-N 3.01Å; L420-P423 HydrophobicContact CB-CB 4.49Å; L420-P423 HydrophobicContact CD1-CB 4.44Å; L420-T426 HydrophobicContact CD1-CG2 3.85Å; L420-K580 HydrophobicContact CD2-CB 3.75Å
421D81.9Confident86.8Confident168 Ų16869.1 Ų69.190%0.89836%0.364SS*.SBendtrans-66.3-33.6177.1-54.7-45.1000111.5
422N89.8Confident87.3Confident83 Ų8369.4 Ų69.444%0.44437%0.366SS..  trans-140.692.1175.2-168.9-22.1000110.3L420 D424 D425 T426L420-N422 VanDerWaalsContact C-N 3.27Å; L420-N422 PolarHBondContact O-N 3.01Å; N422-D424 VanDerWaalsContact C-N 3.34Å; N422-D424 PolarHBondContact OD1-N 2.95Å; N422-D425 HydrophobicContact CB-CB 4.08Å; N422-D425 PolarHBondContact OD1-N 3.18Å; N422-T426 PolarHBondContact O-N 2.99Å; N422-T426 PolarHBondContact O-OG1 3.45Å
423P90.8Very high87.8Confident49 Ų4963.5 Ų63.532%0.31833%0.334SS..Hα-helixtrans-67.4-33-179.226.3-32.8000112.4L408 L420 T426 A427L408-P423 HydrophobicContact CD1-CB 3.99Å; L420-P423 HydrophobicContact CB-CB 4.49Å; L420-P423 HydrophobicContact CD1-CB 4.44Å; P423-T426 PolarHBondContact O-N 3.23Å; P423-A427 VanDerWaalsContact O-CB 3.27Å; P423-A427 WeakPolarHBondContact O-CB 3.22Å; P423-A427 PolarHBondContact O-N 3.3Å
424D93.1Very high88.3Confident72 Ų7257.5 Ų57.539%0.38531%0.306SS..Hα-helixtrans-64.4-46.8177.6-75.2-88.8000112.6N422 T426 A427 E428N422-D424 VanDerWaalsContact C-N 3.34Å; N422-D424 PolarHBondContact OD1-N 2.95Å; D424-T426 VanDerWaalsContact C-N 3.31Å; D424-T426 PolarHBondContact O-N 2.92Å; D424-A427 PolarHBondContact O-N 3.1Å; D424-E428 WeakPolarHBondContact O-CB 3.07Å; D424-E428 PolarHBondContact O-N 2.99Å
425D93.6Very high88.9Confident62 Ų6255.6 Ų55.633%0.33229%0.292SS..Hα-helixtrans-63.2-38.8175.8169.378.5000111.6N422 E428 K429N422-D425 HydrophobicContact CB-CB 4.08Å; N422-D425 PolarHBondContact OD1-N 3.18Å; D425-E428 PolarHBondContact O-N 2.85Å; D425-K429 VanDerWaalsContact CG-NZ 3.27Å; D425-K429 WeakPolarHBondContact O-CG 3.44Å; D425-K429 PolarHBondContact O-N 3.42Å; D425-K429 WeakPolarHBondContact OD1-CE 3.46Å; D425-K429 IonicContact OD1-NZ 3.34Å; D425-K429 PolarHBondContact OD1-NZ 3.47Å; D425-K429 VanDerWaalsContact OD1-NZ 3.12Å; D425-K429 WeakPolarHBondContact OD2-CE 3.2Å; D425-K429 IonicContact OD2-NZ 3.81Å; D425-K429 PolarHBondContact OD2-NZ 2.91Å
426T94.4Very high89.9Confident13 Ų1347.7 Ų47.78%0.0825%0.25CC..Hα-helixtrans-66.3-45.4176-55.10000110.9M411 L420 N422 P423 D424 E428 K429 V430 V578 M581M411-T426 HydrophobicContact CE-CG2 3.9Å; L420-T426 HydrophobicContact CD1-CG2 3.85Å; N422-T426 PolarHBondContact O-N 2.99Å; N422-T426 PolarHBondContact O-OG1 3.45Å; P423-T426 PolarHBondContact O-N 3.23Å; D424-T426 VanDerWaalsContact C-N 3.31Å; D424-T426 PolarHBondContact O-N 2.92Å; T426-E428 VanDerWaalsContact C-N 3.31Å; T426-E428 PolarHBondContact O-N 3.32Å; T426-K429 PolarHBondContact O-N 3.21Å; T426-V430 HydrophobicContact CG2-CG2 4.36Å; T426-V430 WeakPolarHBondContact O-CB 3.28Å; T426-V430 VanDerWaalsContact O-CG2 3.25Å; T426-V430 WeakPolarHBondContact O-CG2 3.39Å; T426-V430 PolarHBondContact O-N 2.9Å; T426-V578 HydrophobicContact CG2-CG1 4.35Å; T426-M581 HydrophobicContact CG2-CB 4.05Å
427A94.8Very high90.9Very high0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-61.2-39.4176.600000111.9R404 M407 L408 M411 P423 D424 G431R404-A427 HydrophobicContact CG-CB 4.18Å; M407-A427 HydrophobicContact CB-CB 4.15Å; M407-A427 HydrophobicContact CG-CB 4.36Å; L408-A427 HydrophobicContact CB-CB 3.95Å; L408-A427 HydrophobicContact CD1-CB 4.27Å; M411-A427 HydrophobicContact SD-CB 3.85Å; P423-A427 VanDerWaalsContact O-CB 3.27Å; P423-A427 WeakPolarHBondContact O-CB 3.22Å; P423-A427 PolarHBondContact O-N 3.3Å; D424-A427 PolarHBondContact O-N 3.1Å; A427-G431 PolarHBondContact O-N 3.11Å
428E95.2Very high91.8Very high30 Ų3042.1 Ų42.114%0.1421%0.214CC..Hα-helixtrans-63.2-50.9175.4-177.5152.6-15800111.4R261 R404 D424 D425 T426 V430 G431 I432R261-E428 IonicContact CZ-OE1 2.86Å; R261-E428 IonicContact NE-OE1 3.43Å; R261-E428 PolarHBondContact NE-OE1 2.89Å; R261-E428 IonicContact NH2-OE1 2.62Å; R261-E428 PolarHBondContact NH2-OE1 2.71Å; R404-E428 HydrophobicContact CB-CB 4.35Å; R404-E428 HydrophobicContact CG-CB 4.12Å; R404-E428 IonicContact NH1-OE2 3.19Å; D424-E428 WeakPolarHBondContact O-CB 3.07Å; D424-E428 PolarHBondContact O-N 2.99Å; D425-E428 PolarHBondContact O-N 2.85Å; T426-E428 VanDerWaalsContact C-N 3.31Å; T426-E428 PolarHBondContact O-N 3.32Å; E428-V430 VanDerWaalsContact C-N 3.34Å; E428-V430 PolarHBondContact O-N 2.84Å; E428-G431 PolarHBondContact O-N 2.89Å; E428-I432 HydrophobicContact CG-CD1 3.82Å; E428-I432 WeakPolarHBondContact O-CB 3.39Å; E428-I432 VanDerWaalsContact O-CG1 3.3Å; E428-I432 WeakPolarHBondContact O-CG1 3.35Å; E428-I432 PolarHBondContact O-N 2.96Å
429K96.6Very high92.6Very high62 Ų6238.9 Ų38.927%0.2720%0.2SC..Hα-helixtrans-59.2-44.1177.7-73.3168.4-177.8163.50112D425 T426 S433 T576 V578D425-K429 VanDerWaalsContact CG-NZ 3.27Å; D425-K429 WeakPolarHBondContact O-CG 3.44Å; D425-K429 PolarHBondContact O-N 3.42Å; D425-K429 WeakPolarHBondContact OD1-CE 3.46Å; D425-K429 IonicContact OD1-NZ 3.34Å; D425-K429 PolarHBondContact OD1-NZ 3.47Å; D425-K429 VanDerWaalsContact OD1-NZ 3.12Å; D425-K429 WeakPolarHBondContact OD2-CE 3.2Å; D425-K429 IonicContact OD2-NZ 3.81Å; D425-K429 PolarHBondContact OD2-NZ 2.91Å; T426-K429 PolarHBondContact O-N 3.21Å; K429-S433 WeakPolarHBondContact O-CB 3.29Å; K429-S433 PolarHBondContact O-N 3.37Å; K429-S433 PolarHBondContact O-OG 3.22Å; K429-T576 HydrophobicContact CD-CG2 4.05Å; K429-T576 HydrophobicContact CG-CG2 4.43Å; K429-V578 HydrophobicContact CB-CG1 3.69Å; K429-V578 HydrophobicContact CD-CG1 3.87Å; K429-V578 HydrophobicContact CG-CG1 4.42Å
430V96.1Very high93.4Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-69.3-41.4179.6176.70000111.1M407 T426 E428 S433 A434 V464 Q467 V578 M581M407-V430 HydrophobicContact CE-CG1 4.22Å; M407-V430 HydrophobicContact CG-CB 3.87Å; M407-V430 HydrophobicContact CG-CG1 3.73Å; M407-V430 HydrophobicContact SD-CB 4.32Å; M407-V430 HydrophobicContact SD-CG1 3.49Å; M407-V430 WeakPolarHBondContact SD-CG1 3.42Å; T426-V430 HydrophobicContact CG2-CG2 4.36Å; T426-V430 WeakPolarHBondContact O-CB 3.28Å; T426-V430 VanDerWaalsContact O-CG2 3.25Å; T426-V430 WeakPolarHBondContact O-CG2 3.39Å; T426-V430 PolarHBondContact O-N 2.9Å; E428-V430 VanDerWaalsContact C-N 3.34Å; E428-V430 PolarHBondContact O-N 2.84Å; V430-S433 WeakPolarHBondContact O-CB 3.44Å; V430-S433 PolarHBondContact O-N 2.92Å; V430-A434 PolarHBondContact O-N 3.21Å; V430-V464 HydrophobicContact CG1-CB 4.3Å; V430-V464 HydrophobicContact CG1-CG1 4.02Å; V430-V464 HydrophobicContact CG1-CG2 3.99Å; V430-Q467 HydrophobicContact CG2-CB 4.16Å; V430-Q467 HydrophobicContact CG2-CG 4.19Å; V430-V578 HydrophobicContact CG2-CG1 4.39Å; V430-V578 HydrophobicContact CG2-CG2 4.25Å; V430-M581 HydrophobicContact CG1-CE 3.98Å; V430-M581 HydrophobicContact CG2-CE 3.95Å; V430-M581 HydrophobicContact CG2-SD 4.23Å
431G95.6Very high93.9Very high0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-62-45175.700000112.8A427 E428 S433 A434 L435A427-G431 PolarHBondContact O-N 3.11Å; E428-G431 PolarHBondContact O-N 2.89Å; G431-S433 VanDerWaalsContact C-N 3.3Å; G431-S433 PolarHBondContact O-N 3.43Å; G431-A434 WeakPolarHBondContact O-CB 3.39Å; G431-A434 PolarHBondContact O-N 3.35Å; G431-L435 PolarHBondContact O-N 3.39Å; G431-L435 VanDerWaalsContact O-N 3.15Å
432I96.1Very high94.3Very high13 Ų1326.2 Ų26.27%0.06714%0.141CC..Hα-helixtrans-63-38.5174.8-69.1171.1000111R261 L262 L400 E428 A434 L435 I436R261-I432 WeakPolarHBondContact O-CD1 3.23Å; L262-I432 HydrophobicContact CD2-CD1 4.48Å; L262-I432 HydrophobicContact CD2-CG2 4.14Å; L400-I432 HydrophobicContact CD2-CG1 4.17Å; E428-I432 HydrophobicContact CG-CD1 3.82Å; E428-I432 WeakPolarHBondContact O-CB 3.39Å; E428-I432 VanDerWaalsContact O-CG1 3.3Å; E428-I432 WeakPolarHBondContact O-CG1 3.35Å; E428-I432 PolarHBondContact O-N 2.96Å; I432-A434 VanDerWaalsContact C-N 3.28Å; I432-A434 PolarHBondContact O-N 3.49Å; I432-L435 WeakPolarHBondContact O-CB 3.48Å; I432-L435 PolarHBondContact O-N 3.25Å; I432-I436 HydrophobicContact CG2-CD1 3.76Å; I432-I436 HydrophobicContact CG2-CG1 4.32Å; I432-I436 WeakPolarHBondContact O-CG1 3.46Å; I432-I436 PolarHBondContact O-N 3.37Å
433S97Very high94.6Very high1 Ų124.9 Ų24.91%0.00714%0.137CC..Hα-helixtrans-59.8-40.9175.4-53.60000111.9K429 V430 G431 I436 V437 Q467 I575K429-S433 WeakPolarHBondContact O-CB 3.29Å; K429-S433 PolarHBondContact O-N 3.37Å; K429-S433 PolarHBondContact O-OG 3.22Å; V430-S433 WeakPolarHBondContact O-CB 3.44Å; V430-S433 PolarHBondContact O-N 2.92Å; G431-S433 VanDerWaalsContact C-N 3.3Å; G431-S433 PolarHBondContact O-N 3.43Å; S433-I436 PolarHBondContact O-N 3.42Å; S433-V437 WeakPolarHBondContact O-CB 3.26Å; S433-V437 WeakPolarHBondContact O-CG2 3.29Å; S433-V437 PolarHBondContact O-N 3.44Å; S433-Q467 WeakPolarHBondContact OG-CG 3.48Å; S433-Q467 PolarHBondContact OG-NE2 3.26Å; S433-I575 WeakPolarHBondContact OG-CG2 3.41Å
434A95.4Very high94.8Very high0 Ų022.6 Ų22.60%012%0.122CC..Hα-helixtrans-62.6-44.7176.600000111.8V430 G431 I432 Q438 M455 L456 V464V430-A434 PolarHBondContact O-N 3.21Å; G431-A434 WeakPolarHBondContact O-CB 3.39Å; G431-A434 PolarHBondContact O-N 3.35Å; I432-A434 VanDerWaalsContact C-N 3.28Å; I432-A434 PolarHBondContact O-N 3.49Å; A434-Q438 WeakPolarHBondContact O-CB 3.29Å; A434-Q438 PolarHBondContact O-N 3.09Å; A434-M455 HydrophobicContact CB-CG 4.44Å; A434-M455 WeakPolarHBondContact CB-O 3.1Å; A434-L456 HydrophobicContact CB-CD2 3.69Å; A434-V464 HydrophobicContact CB-CG2 4.14Å
435L93.9Very high94.8Very high6 Ų622.7 Ų22.73%0.03112%0.12CC..Hα-helixtrans-58.5-49.7175.5-71.7169.8000111.9L148 V399 L400 A403 G431 I432 Q438 D439 F450 W452 M455L148-L435 HydrophobicContact CD2-CD2 4.41Å; V399-L435 HydrophobicContact CG1-CD1 4.18Å; V399-L435 HydrophobicContact CG1-CD2 4.13Å; L400-L435 HydrophobicContact CD2-CD1 3.92Å; A403-L435 HydrophobicContact CB-CD1 4.07Å; G431-L435 PolarHBondContact O-N 3.39Å; G431-L435 VanDerWaalsContact O-N 3.15Å; I432-L435 WeakPolarHBondContact O-CB 3.48Å; I432-L435 PolarHBondContact O-N 3.25Å; L435-Q438 PolarHBondContact O-N 2.98Å; L435-D439 PolarHBondContact O-N 3.2Å; L435-D439 VanDerWaalsContact O-N 3.12Å; L435-F450 HydrophobicContact CD2-CE2 3.7Å; L435-F450 HydrophobicContact CD2-CZ 3.97Å; L435-W452 HydrophobicContact CD2-CH2 4.42Å; L435-W452 HydrophobicContact CD2-CZ3 4.49Å; L435-M455 HydrophobicContact CD2-CE 3.58Å; L435-M455 HydrophobicContact CD2-SD 3.91Å; L435-M455 HydrophobicContact CG-CE 4.23Å
436I96.3Very high94.8Very high4 Ų422.4 Ų22.42%0.02112%0.123CC..Hα-helixtrans-62.9-49.5-178.1-68.5171.6000111.1I152 I432 S433 Q438 D439 F440 L573 G574 I575I152-I436 HydrophobicContact CG2-CG1 4.18Å; I432-I436 HydrophobicContact CG2-CD1 3.76Å; I432-I436 HydrophobicContact CG2-CG1 4.32Å; I432-I436 WeakPolarHBondContact O-CG1 3.46Å; I432-I436 PolarHBondContact O-N 3.37Å; S433-I436 PolarHBondContact O-N 3.42Å; I436-Q438 VanDerWaalsContact C-N 3.32Å; I436-Q438 PolarHBondContact O-N 3.32Å; I436-D439 PolarHBondContact O-N 3.13Å; I436-F440 HydrophobicContact CG2-CD2 3.51Å; I436-F440 HydrophobicContact CG2-CE2 3.48Å; I436-F440 VanDerWaalsContact CG2-CE2 3.48Å; I436-F440 HydrophobicContact CG2-CG 4.38Å; I436-F440 HydrophobicContact CG2-CZ 4.31Å; I436-F440 WeakPolarHBondContact O-CB 3.41Å; I436-F440 VanDerWaalsContact O-CG 3.29Å; I436-F440 WeakPolarHBondContact O-CG 3.15Å; I436-F440 PolarHBondContact O-N 2.56Å; I436-L573 HydrophobicContact CG2-CB 4.42Å; I436-L573 WeakPolarHBondContact CG2-O 3.37Å; I436-G574 WeakPolarHBondContact CD1-O 3.36Å; I436-I575 HydrophobicContact CB-CD1 4.35Å; I436-I575 HydrophobicContact CB-CG1 4.08Å; I436-I575 HydrophobicContact CD1-CG1 3.85Å; I436-I575 HydrophobicContact CG2-CD1 4.04Å; I436-I575 HydrophobicContact CG2-CG1 3.87Å
437V96.3Very high94.6Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-66.2-36.8-178.1171.60000111.7S433 F440 K441 L466 V525 I575S433-V437 WeakPolarHBondContact O-CB 3.26Å; S433-V437 WeakPolarHBondContact O-CG2 3.29Å; S433-V437 PolarHBondContact O-N 3.44Å; V437-F440 PolarHBondContact O-N 3.47Å; V437-K441 WeakPolarHBondContact O-CB 3.42Å; V437-K441 PolarHBondContact O-N 3.09Å; V437-K441 VanDerWaalsContact O-N 3.1Å; V437-L466 HydrophobicContact CG2-CD1 3.75Å; V437-V525 HydrophobicContact CG1-CG1 4.02Å; V437-I575 HydrophobicContact CG2-CD1 3.7Å
438Q93Very high94.1Very high30 Ų3026.7 Ų26.714%0.1414%0.143CC..Hα-helixtrans-62.4-45.1176.8177.959.526.300111.5A434 L435 I436 F440 Y448 M455A434-Q438 WeakPolarHBondContact O-CB 3.29Å; A434-Q438 PolarHBondContact O-N 3.09Å; L435-Q438 PolarHBondContact O-N 2.98Å; I436-Q438 VanDerWaalsContact C-N 3.32Å; I436-Q438 PolarHBondContact O-N 3.32Å; Q438-F440 VanDerWaalsContact C-N 3.35Å; Q438-Y448 HydrophobicContact CG-CE2 4.34Å; Q438-M455 HydrophobicContact CB-CB 3.93Å; Q438-M455 HydrophobicContact CB-SD 4.18Å; Q438-M455 HydrophobicContact CG-CB 4.04Å; Q438-M455 HydrophobicContact CG-SD 4.28Å
439D93.4Very high93.7Very high3 Ų333 Ų332%0.01617%0.17CC..Hα-helixtrans-65.3-39.6178.2-159.6-82.2000111.9R149 I152 L435 I436 K441 Y448R149-D439 WeakPolarHBondContact CG-OD2 3.34Å; R149-D439 IonicContact CZ-OD1 3.56Å; R149-D439 IonicContact CZ-OD2 3.43Å; R149-D439 IonicContact NE-OD1 4Å; R149-D439 PolarHBondContact NE-OD1 3.09Å; R149-D439 IonicContact NE-OD2 3.69Å; R149-D439 PolarHBondContact NE-OD2 3.37Å; R149-D439 IonicContact NH2-OD1 2.71Å; R149-D439 PolarHBondContact NH2-OD1 2.93Å; R149-D439 IonicContact NH2-OD2 2.68Å; I152-D439 HydrophobicContact CD1-CB 3.62Å; L435-D439 PolarHBondContact O-N 3.2Å; L435-D439 VanDerWaalsContact O-N 3.12Å; I436-D439 PolarHBondContact O-N 3.13Å; D439-K441 PolarHBondContact O-N 3.49Å; D439-Y448 WeakPolarHBondContact OD2-CE1 3.11Å; D439-Y448 VanDerWaalsContact OD2-CZ 3.31Å; D439-Y448 PolarHBondContact OD2-OH 2.96Å
440F96.1Very high93.1Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-86.5-2.7-172.8-69-7.9000115I152 I153 F156 I436 V437 Q438 G442 L444 P521 K522 V525 L573I152-F440 HydrophobicContact CB-CE1 4.43Å; I152-F440 HydrophobicContact CB-CZ 4.06Å; I152-F440 HydrophobicContact CD1-CD1 4.44Å; I152-F440 HydrophobicContact CD1-CE1 3.86Å; I152-F440 HydrophobicContact CD1-CZ 4.2Å; I152-F440 HydrophobicContact CG1-CE1 3.73Å; I152-F440 HydrophobicContact CG1-CZ 3.87Å; I153-F440 HydrophobicContact CG1-CE1 3.74Å; F156-F440 HydrophobicContact CB-CE2 3.9Å; F156-F440 HydrophobicContact CB-CZ 3.87Å; F156-F440 HydrophobicContact CG-CE2 4.34Å; I436-F440 HydrophobicContact CG2-CD2 3.51Å; I436-F440 HydrophobicContact CG2-CE2 3.48Å; I436-F440 VanDerWaalsContact CG2-CE2 3.48Å; I436-F440 HydrophobicContact CG2-CG 4.38Å; I436-F440 HydrophobicContact CG2-CZ 4.31Å; I436-F440 WeakPolarHBondContact O-CB 3.41Å; I436-F440 VanDerWaalsContact O-CG 3.29Å; I436-F440 WeakPolarHBondContact O-CG 3.15Å; I436-F440 PolarHBondContact O-N 2.56Å; V437-F440 PolarHBondContact O-N 3.47Å; Q438-F440 VanDerWaalsContact C-N 3.35Å; F440-G442 VanDerWaalsContact C-N 3.3Å; F440-G442 PolarHBondContact O-N 3.43Å; F440-L444 HydrophobicContact CD1-CD2 4.45Å; F440-P521 HydrophobicContact CB-CB 3.85Å; F440-P521 HydrophobicContact CB-CG 3.77Å; F440-P521 HydrophobicContact CD1-CB 4.04Å; F440-P521 HydrophobicContact CD1-CG 3.4Å; F440-P521 VanDerWaalsContact CD1-CG 3.4Å; F440-P521 HydrophobicContact CD2-CB 3.51Å; F440-P521 HydrophobicContact CD2-CG 3.87Å; F440-P521 HydrophobicContact CE1-CB 4.42Å; F440-P521 HydrophobicContact CE1-CG 3.84Å; F440-P521 HydrophobicContact CE2-CB 3.92Å; F440-P521 HydrophobicContact CE2-CG 4.24Å; F440-P521 HydrophobicContact CG-CB 3.54Å; F440-P521 HydrophobicContact CG-CG 3.4Å; F440-P521 VanDerWaalsContact CG-CG 3.4Å; F440-P521 HydrophobicContact CZ-CB 4.35Å; F440-P521 HydrophobicContact CZ-CG 4.22Å; F440-K522 WeakPolarHBondContact O-CA 3.33Å; F440-K522 VanDerWaalsContact O-CB 3.29Å; F440-K522 WeakPolarHBondContact O-CB 3.43Å; F440-K522 PolarHBondContact O-N 3.49Å; F440-V525 HydrophobicContact CB-CG2 3.64Å; F440-L573 HydrophobicContact CD2-CD2 3.94Å; F440-L573 HydrophobicContact CE2-CD2 4.32Å
441K92.1Very high92.7Very high94 Ų9434 Ų3441%0.40918%0.177SC..THydrogen-bonded Turntrans-66.9-32.2-178.4-168.1171.5-178.5171.50112.8V437 D439 D461V437-K441 WeakPolarHBondContact O-CB 3.42Å; V437-K441 PolarHBondContact O-N 3.09Å; V437-K441 VanDerWaalsContact O-N 3.1Å; D439-K441 PolarHBondContact O-N 3.49Å; K441-D461 PolarHBondContact NZ-O 3.32Å
442G91.7Very high92.3Very high29 Ų2935 Ų3530%0.29918%0.181SC..SBendtrans-105.8177.3-178.100000113.9F440F440-G442 VanDerWaalsContact C-N 3.3Å; F440-G442 PolarHBondContact O-N 3.43Å
443P94.8Very high91.7Very high55 Ų5539.8 Ų39.836%0.35721%0.207SC..  trans-59.6139166.6-17.330.9000111.1Q445 S446P443-Q445 PolarHBondContact O-N 3.1Å; P443-S446 WeakPolarHBondContact O-CB 3.19Å; P443-S446 PolarHBondContact O-N 2.96Å; P443-S446 VanDerWaalsContact O-N 3.09Å
444L95.4Very high91.2Very high0 Ų043.5 Ų43.50%023%0.226CC..THydrogen-bonded Turntrans-58.3-35.8-178.8-65.3-178.1000113.1R149 I153 V378 F380 G381 F440 S446 Q520 P521R149-L444 PolarHBondContact NH1-O 3.42Å; I153-L444 HydrophobicContact CD1-CD1 4.35Å; I153-L444 HydrophobicContact CD1-CD2 3.75Å; I153-L444 HydrophobicContact CD1-CG 4.49Å; I153-L444 HydrophobicContact CG1-CD1 4.43Å; I153-L444 HydrophobicContact CG1-CD2 3.84Å; I153-L444 HydrophobicContact CG2-CD1 3.78Å; V378-L444 HydrophobicContact CG1-CD1 4Å; F380-L444 CarbonylContact C-O 3.36Å; F380-L444 VanDerWaalsContact CA-O 3.26Å; F380-L444 WeakPolarHBondContact CA-O 3.39Å; F380-L444 HydrophobicContact CB-CB 4.3Å; F380-L444 WeakPolarHBondContact CB-O 3.26Å; G381-L444 PolarHBondContact N-O 3.44Å; F440-L444 HydrophobicContact CD1-CD2 4.45Å; L444-S446 PolarHBondContact O-N 2.67Å; L444-Q520 VanDerWaalsContact N-OE1 3.15Å; L444-P521 HydrophobicContact CD2-CG 3.89Å
445Q93.5Very high90.8Very high75 Ų7543.5 Ų43.535%0.3523%0.226SC..THydrogen-bonded Turntrans-65.3-22.3179.7-64.9-59.2-18.400114.5S379 P443S379-Q445 PolarHBondContact O-NE2 3.34Å; S379-Q445 PolarHBondContact OG-NE2 3.45Å; P443-Q445 PolarHBondContact O-N 3.1Å
446S92.4Very high90.5Very high56 Ų5643.6 Ų43.639%0.39223%0.227SC..SBendtrans-73.2138.6-178.1-59.60000110.4R149 P443 L444R149-S446 PolarHBondContact NH1-O 3.25Å; R149-S446 VanDerWaalsContact NH1-O 3.16Å; P443-S446 WeakPolarHBondContact O-CB 3.19Å; P443-S446 PolarHBondContact O-N 2.96Å; P443-S446 VanDerWaalsContact O-N 3.09Å; L444-S446 PolarHBondContact O-N 2.67Å
447D90.5Very high90Very high66 Ų6648.1 Ų48.135%0.35325%0.248SC..  trans-74.3148.2163.5-56.8-22000108K351 G381 L382K351-D447 WeakPolarHBondContact CE-OD1 3.33Å; K351-D447 IonicContact NZ-OD1 3.21Å; K351-D447 PolarHBondContact NZ-OD1 2.91Å; K351-D447 IonicContact NZ-OD2 2.7Å; K351-D447 PolarHBondContact NZ-OD2 3.12Å; G381-D447 WeakPolarHBondContact CA-OD1 3.35Å; L382-D447 PolarHBondContact N-OD1 3.45Å; L382-D447 WeakPolarHBondContact O-CA 3.14Å
448Y85.4Confident89.2Confident36 Ų3651.2 Ų51.214%0.14127%0.274CS..EExtended strand (participates in β ladder)trans-139.3151174.576-87.7000112.3L382 V383 Q384 Q438 D439 F450L382-Y448 PolarHBondContact O-N 3.06Å; V383-Y448 HydrophobicContact CB-CE1 4.39Å; V383-Y448 HydrophobicContact CG1-CE1 4.28Å; V383-Y448 HydrophobicContact CG1-CE2 3.85Å; V383-Y448 HydrophobicContact CG2-CE1 3.69Å; Q384-Y448 PolarHBondContact N-O 2.87Å; Q438-Y448 HydrophobicContact CG-CE2 4.34Å; D439-Y448 WeakPolarHBondContact OD2-CE1 3.11Å; D439-Y448 VanDerWaalsContact OD2-CZ 3.31Å; D439-Y448 PolarHBondContact OD2-OH 2.96Å; Y448-F450 HydrophobicContact CE2-CB 4.45Å; Y448-F450 HydrophobicContact CE2-CD2 4.28Å
449K85.3Confident88.4Confident164 Ų16457.7 Ų57.771%0.71330%0.304SS*.EExtended strand (participates in β ladder)trans-87.7125.1174.2-173.4178.3177.1-174.50109.4
450F85.3Confident88.1Confident12 Ų1259.6 Ų59.65%0.05332%0.324CS..  trans-79.2138.5178.9-174.8-92.6000111.4V383 Q384 M386 L435 Y448 W452 M455V383-F450 HydrophobicContact CG1-CB 3.86Å; V383-F450 HydrophobicContact CG1-CD2 4.43Å; Q384-F450 PolarHBondContact O-N 3.47Å; M386-F450 HydrophobicContact CB-CB 4.11Å; M386-F450 HydrophobicContact CB-CD1 4.14Å; M386-F450 HydrophobicContact CB-CG 4.01Å; M386-F450 HydrophobicContact CE-CD2 3.27Å; M386-F450 HydrophobicContact CE-CE2 3.34Å; M386-F450 HydrophobicContact CE-CG 3.95Å; M386-F450 HydrophobicContact CE-CZ 4.06Å; M386-F450 HydrophobicContact CG-CD1 3.94Å; M386-F450 HydrophobicContact CG-CD2 4.25Å; M386-F450 HydrophobicContact CG-CE1 4.05Å; M386-F450 HydrophobicContact CG-CE2 4.35Å; M386-F450 HydrophobicContact CG-CG 4.01Å; M386-F450 HydrophobicContact CG-CZ 4.23Å; M386-F450 HydrophobicContact SD-CE2 4.44Å; L435-F450 HydrophobicContact CD2-CE2 3.7Å; L435-F450 HydrophobicContact CD2-CZ 3.97Å; Y448-F450 HydrophobicContact CE2-CB 4.45Å; Y448-F450 HydrophobicContact CE2-CD2 4.28Å; F450-W452 AromaticContact CE1-CD1 3.74Å; F450-W452 AromaticContact CE1-CD2 3.63Å; F450-W452 HydrophobicContact CE1-CD2 3.63Å; F450-W452 AromaticContact CE1-CE2 3.39Å; F450-W452 HydrophobicContact CE1-CE3 4.3Å; F450-W452 AromaticContact CE1-CG 3.81Å; F450-W452 HydrophobicContact CE1-CG 3.81Å; F450-W452 HydrophobicContact CE1-CH2 4.41Å; F450-W452 AromaticContact CE1-CZ2 3.81Å; F450-W452 HydrophobicContact CE1-CZ2 3.81Å; F450-W452 AromaticContact CE1-NE1 3.51Å; F450-W452 AromaticContact CZ-CD2 3.84Å; F450-W452 HydrophobicContact CZ-CD2 3.84Å; F450-W452 AromaticContact CZ-CE2 3.71Å; F450-W452 HydrophobicContact CZ-CE3 4.05Å; F450-W452 HydrophobicContact CZ-CG 4.42Å; F450-W452 AromaticContact CZ-CH2 3.89Å; F450-W452 HydrophobicContact CZ-CH2 3.89Å; F450-W452 AromaticContact CZ-CZ2 3.72Å; F450-W452 HydrophobicContact CZ-CZ2 3.72Å; F450-W452 HydrophobicContact CZ-CZ3 4.07Å; F450-M455 HydrophobicContact CE1-CE 4.25Å; F450-M455 HydrophobicContact CE2-CE 3.7Å; F450-M455 HydrophobicContact CE2-SD 3.67Å; F450-M455 HydrophobicContact CZ-CE 3.3Å; F450-M455 HydrophobicContact CZ-SD 3.89Å
451D86.6Confident87.8Confident70 Ų7061.5 Ų61.537%0.37433%0.334SS..  trans-148.7111.4-178.6-170.6-40.8000110.1D453 L454 M455D451-D453 VanDerWaalsContact C-N 3.34Å; D451-D453 PolarHBondContact OD1-N 2.87Å; D451-L454 HydrophobicContact CB-CB 3.99Å; D451-L454 PolarHBondContact OD1-N 3.46Å; D451-M455 WeakPolarHBondContact O-CG 3.1Å; D451-M455 PolarHBondContact O-N 3.38Å
452W86.9Confident87.9Confident21 Ų2157.3 Ų57.38%0.0832%0.316CS..Hα-helixtrans-61.1-42.5179.2-77.6114.5000112.3K387 V399 E402 A403 L435 F450 L454 M455 L456K387-W452 PolarHBondContact O-NE1 2.68Å; V399-W452 HydrophobicContact CG1-CH2 3.83Å; V399-W452 HydrophobicContact CG1-CZ2 4.09Å; V399-W452 WeakPolarHBondContact O-CH2 3.2Å; E402-W452 HydrophobicContact CB-CH2 4.1Å; E402-W452 HydrophobicContact CB-CZ2 3.95Å; E402-W452 HydrophobicContact CG-CD2 4.35Å; E402-W452 HydrophobicContact CG-CH2 4.03Å; E402-W452 HydrophobicContact CG-CZ2 3.62Å; E402-W452 HydrophobicContact CG-CZ3 4.5Å; A403-W452 HydrophobicContact CB-CH2 3.97Å; A403-W452 HydrophobicContact CB-CZ3 3.7Å; L435-W452 HydrophobicContact CD2-CH2 4.42Å; L435-W452 HydrophobicContact CD2-CZ3 4.49Å; F450-W452 AromaticContact CE1-CD1 3.74Å; F450-W452 AromaticContact CE1-CD2 3.63Å; F450-W452 HydrophobicContact CE1-CD2 3.63Å; F450-W452 AromaticContact CE1-CE2 3.39Å; F450-W452 HydrophobicContact CE1-CE3 4.3Å; F450-W452 AromaticContact CE1-CG 3.81Å; F450-W452 HydrophobicContact CE1-CG 3.81Å; F450-W452 HydrophobicContact CE1-CH2 4.41Å; F450-W452 AromaticContact CE1-CZ2 3.81Å; F450-W452 HydrophobicContact CE1-CZ2 3.81Å; F450-W452 AromaticContact CE1-NE1 3.51Å; F450-W452 AromaticContact CZ-CD2 3.84Å; F450-W452 HydrophobicContact CZ-CD2 3.84Å; F450-W452 AromaticContact CZ-CE2 3.71Å; F450-W452 HydrophobicContact CZ-CE3 4.05Å; F450-W452 HydrophobicContact CZ-CG 4.42Å; F450-W452 AromaticContact CZ-CH2 3.89Å; F450-W452 HydrophobicContact CZ-CH2 3.89Å; F450-W452 AromaticContact CZ-CZ2 3.72Å; F450-W452 HydrophobicContact CZ-CZ2 3.72Å; F450-W452 HydrophobicContact CZ-CZ3 4.07Å; W452-L454 VanDerWaalsContact C-N 3.32Å; W452-L454 PolarHBondContact O-N 3.43Å; W452-M455 HydrophobicContact CD2-CE 3.88Å; W452-M455 HydrophobicContact CE3-CE 3.01Å; W452-M455 HydrophobicContact CH2-CE 3.95Å; W452-M455 HydrophobicContact CZ3-CE 3.06Å; W452-L456 HydrophobicContact CE3-CD1 3.78Å; W452-L456 HydrophobicContact CE3-CG 4.42Å; W452-L456 HydrophobicContact CZ3-CD1 4.37Å; W452-L456 WeakPolarHBondContact O-CB 3.38Å; W452-L456 PolarHBondContact O-N 2.88Å
453D85.3Confident88.1Confident114 Ų11456 Ų5661%0.6130%0.302SS*.Hα-helixtrans-75.6-27.2-170.6-61.9-25.5000111R406 D451 Q457R406-D453 IonicContact NH1-OD1 3.67Å; R406-D453 PolarHBondContact NH1-OD1 3.41Å; D451-D453 VanDerWaalsContact C-N 3.34Å; D451-D453 PolarHBondContact OD1-N 2.87Å; D453-Q457 WeakPolarHBondContact O-CG 3.37Å; D453-Q457 PolarHBondContact O-NE2 3.45Å
454L85.3Confident88.2Confident78 Ų7853.5 Ų53.541%0.40829%0.286SS..Hα-helixtrans-78.7-41175.6-173.3133.6000112.7D451 W452 Q457D451-L454 HydrophobicContact CB-CB 3.99Å; D451-L454 PolarHBondContact OD1-N 3.46Å; W452-L454 VanDerWaalsContact C-N 3.32Å; W452-L454 PolarHBondContact O-N 3.43Å; L454-Q457 WeakPolarHBondContact O-CG 3.27Å
455M87.1Confident88.2Confident1 Ų154.8 Ų54.81%0.00529%0.292CS..Hα-helixtrans-83-25.9-173.372.6173.3-174.500114.1A434 L435 Q438 F450 D451 W452 Q457 T462A434-M455 HydrophobicContact CB-CG 4.44Å; A434-M455 WeakPolarHBondContact CB-O 3.1Å; L435-M455 HydrophobicContact CD2-CE 3.58Å; L435-M455 HydrophobicContact CD2-SD 3.91Å; L435-M455 HydrophobicContact CG-CE 4.23Å; Q438-M455 HydrophobicContact CB-CB 3.93Å; Q438-M455 HydrophobicContact CB-SD 4.18Å; Q438-M455 HydrophobicContact CG-CB 4.04Å; Q438-M455 HydrophobicContact CG-SD 4.28Å; F450-M455 HydrophobicContact CE1-CE 4.25Å; F450-M455 HydrophobicContact CE2-CE 3.7Å; F450-M455 HydrophobicContact CE2-SD 3.67Å; F450-M455 HydrophobicContact CZ-CE 3.3Å; F450-M455 HydrophobicContact CZ-SD 3.89Å; D451-M455 WeakPolarHBondContact O-CG 3.1Å; D451-M455 PolarHBondContact O-N 3.38Å; W452-M455 HydrophobicContact CD2-CE 3.88Å; W452-M455 HydrophobicContact CE3-CE 3.01Å; W452-M455 HydrophobicContact CH2-CE 3.95Å; W452-M455 HydrophobicContact CZ3-CE 3.06Å; M455-Q457 VanDerWaalsContact C-N 3.3Å; M455-T462 WeakPolarHBondContact O-CB 3.4Å
456L87.2Confident88.3Confident7 Ų751.2 Ų51.24%0.03728%0.275CS..THydrogen-bonded Turntrans-88.66.9180-66.7175.6000113.5R406 A434 W452R406-L456 HydrophobicContact CB-CD1 3.46Å; R406-L456 VanDerWaalsContact CB-CD1 3.46Å; R406-L456 HydrophobicContact CG-CD1 4.19Å; A434-L456 HydrophobicContact CB-CD2 3.69Å; W452-L456 HydrophobicContact CE3-CD1 3.78Å; W452-L456 HydrophobicContact CE3-CG 4.42Å; W452-L456 HydrophobicContact CZ3-CD1 4.37Å; W452-L456 WeakPolarHBondContact O-CB 3.38Å; W452-L456 PolarHBondContact O-N 2.88Å
457Q86.3Confident88.5Confident99 Ų9948.6 Ų48.646%0.46326%0.257SS..  trans-68134.6176.9-57.1-173.3-15.600110.9D453 L454 M455 Q459 T462D453-Q457 WeakPolarHBondContact O-CG 3.37Å; D453-Q457 PolarHBondContact O-NE2 3.45Å; L454-Q457 WeakPolarHBondContact O-CG 3.27Å; M455-Q457 VanDerWaalsContact C-N 3.3Å; Q457-Q459 VanDerWaalsContact CB-O 3.29Å; Q457-Q459 WeakPolarHBondContact CB-O 3.4Å; Q457-Q459 PolarHBondContact O-N 3.43Å; Q457-T462 HydrophobicContact CB-CG2 4.36Å; Q457-T462 WeakPolarHBondContact O-CG2 3.4Å; Q457-T462 PolarHBondContact O-OG1 3.02Å
458A78.6Confident88.7Confident66 Ų6649.7 Ų49.755%0.54526%0.257SS..SBendtrans-67.6-26.7172.600000112.6V464A458-V464 HydrophobicContact CB-CG1 4.36Å
459Q77.7Confident89.3Confident166 Ų16648.2 Ų48.278%0.77625%0.251SS*.SBendtrans-104.1145.5175.7-61.4-171.318.400110.7Q457Q457-Q459 VanDerWaalsContact CB-O 3.29Å; Q457-Q459 WeakPolarHBondContact CB-O 3.4Å; Q457-Q459 PolarHBondContact O-N 3.43Å
460G85.9Confident89.8Confident42 Ų4240.7 Ų40.743%0.43322%0.219SC..SBendtrans107.5-164.5177.900000113T462 F465G460-T462 VanDerWaalsContact C-N 3.34Å; G460-T462 PolarHBondContact O-N 2.91Å; G460-F465 WeakPolarHBondContact O-CB 3.48Å; G460-F465 WeakPolarHBondContact O-CD1 3.28Å
461D90.4Very high90.3Very high40 Ų4040.3 Ų40.321%0.21422%0.218CC..SBendtrans-93.170.2-175.5-77.4-1.9000110.3K441 L529 R533K441-D461 PolarHBondContact NZ-O 3.32Å; D461-L529 HydrophobicContact CB-CD1 3.73Å; D461-L529 HydrophobicContact CB-CD2 4.34Å; D461-R533 IonicContact OD1-CZ 3.82Å; D461-R533 IonicContact OD1-NE 2.74Å; D461-R533 PolarHBondContact OD1-NE 3.26Å; D461-R533 IonicContact OD1-NH1 3.32Å; D461-R533 IonicContact OD1-NH2 3.03Å; D461-R533 PolarHBondContact OD1-NH2 3.41Å; D461-R533 IonicContact OD2-CZ 3.28Å; D461-R533 IonicContact OD2-NH1 3.44Å; D461-R533 IonicContact OD2-NH2 3.91Å; D461-R533 PolarHBondContact OD2-NH2 2.77Å
462T95.1Very high90.6Very high7 Ų741.5 Ų41.54%0.04322%0.217CC..SBendtrans-126161-173.267.80000112M455 Q457 G460 V464 F465 L466M455-T462 WeakPolarHBondContact O-CB 3.4Å; Q457-T462 HydrophobicContact CB-CG2 4.36Å; Q457-T462 WeakPolarHBondContact O-CG2 3.4Å; Q457-T462 PolarHBondContact O-OG1 3.02Å; G460-T462 VanDerWaalsContact C-N 3.34Å; G460-T462 PolarHBondContact O-N 2.91Å; T462-V464 VanDerWaalsContact C-N 3.25Å; T462-V464 PolarHBondContact O-N 3.39Å; T462-F465 PolarHBondContact O-N 2.87Å; T462-F465 PolarHBondContact OG1-N 3.41Å; T462-L466 PolarHBondContact O-N 3.12Å
463G95.9Very high91Very high0 Ų040.5 Ų40.50%021%0.213CC..Hα-helixtrans-66-28.517200000113.3F465 L466 Q467G463-F465 VanDerWaalsContact C-N 3.31Å; G463-F465 PolarHBondContact O-N 3.16Å; G463-L466 PolarHBondContact O-N 3.4Å; G463-Q467 WeakPolarHBondContact O-CG 3.45Å; G463-Q467 PolarHBondContact O-N 3.27Å; G463-Q467 VanDerWaalsContact O-N 3.08Å
464V95.6Very high91.4Very high3 Ų335.9 Ų35.92%0.01819%0.189CC..Hα-helixtrans-61.3-41.7173.1-172.10000110.6M407 V430 A434 A458 T462 L466 Q467 Y468 M581M407-V464 HydrophobicContact CE-CG1 4.47Å; M407-V464 HydrophobicContact SD-CG1 4.47Å; M407-V464 HydrophobicContact SD-CG2 4.17Å; V430-V464 HydrophobicContact CG1-CB 4.3Å; V430-V464 HydrophobicContact CG1-CG1 4.02Å; V430-V464 HydrophobicContact CG1-CG2 3.99Å; A434-V464 HydrophobicContact CB-CG2 4.14Å; A458-V464 HydrophobicContact CB-CG1 4.36Å; T462-V464 VanDerWaalsContact C-N 3.25Å; T462-V464 PolarHBondContact O-N 3.39Å; V464-L466 PolarHBondContact O-N 3.23Å; V464-Q467 PolarHBondContact O-N 2.85Å; V464-Y468 VanDerWaalsContact O-CB 3.32Å; V464-Y468 WeakPolarHBondContact O-CB 3.41Å; V464-Y468 PolarHBondContact O-N 3.03Å; V464-M581 HydrophobicContact CG1-CE 4.15Å
465F95.6Very high91.7Very high28 Ų2832.6 Ų32.612%0.12317%0.173CC..Hα-helixtrans-65.3-35.8178.2-179.8-121.2000113.2G460 T462 G463 T469 L529 R533G460-F465 WeakPolarHBondContact O-CB 3.48Å; G460-F465 WeakPolarHBondContact O-CD1 3.28Å; T462-F465 PolarHBondContact O-N 2.87Å; T462-F465 PolarHBondContact OG1-N 3.41Å; G463-F465 VanDerWaalsContact C-N 3.31Å; G463-F465 PolarHBondContact O-N 3.16Å; F465-T469 WeakPolarHBondContact O-CB 3.19Å; F465-T469 PolarHBondContact O-N 3.47Å; F465-T469 PolarHBondContact O-OG1 2.98Å; F465-L529 HydrophobicContact CD1-CD2 4.14Å; F465-R533 HydrophobicContact CE1-CG 4Å; F465-R533 HydrophobicContact CZ-CG 4.29Å
466L96.8Very high92Very high0 Ų033.5 Ų33.50%018%0.178CC..Hα-helixtrans-64.3-49.7173.5-62.9-173.9000111.1V437 T462 G463 V464 Y468 T469 H470 L528 L529 S532 L566 M570V437-L466 HydrophobicContact CG2-CD1 3.75Å; T462-L466 PolarHBondContact O-N 3.12Å; G463-L466 PolarHBondContact O-N 3.4Å; V464-L466 PolarHBondContact O-N 3.23Å; L466-Y468 VanDerWaalsContact C-N 3.35Å; L466-Y468 PolarHBondContact O-N 3.14Å; L466-T469 PolarHBondContact O-N 3.21Å; L466-H470 PolarHBondContact O-N 3.4Å; L466-L528 HydrophobicContact CD1-CB 4.32Å; L466-L528 HydrophobicContact CD2-CB 3.93Å; L466-L529 HydrophobicContact CD2-CD2 3.74Å; L466-L529 HydrophobicContact CD2-CG 4.14Å; L466-L529 HydrophobicContact CG-CD2 4.08Å; L466-S532 WeakPolarHBondContact CD2-OG 3.48Å; L466-L566 HydrophobicContact CD2-CD1 4.13Å; L466-M570 HydrophobicContact CB-CE 4.36Å; L466-M570 HydrophobicContact CB-SD 4.17Å
467Q96.6Very high92.2Very high0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-60.2-44.9178.4-71.3-71.21300111.7V430 S433 G463 V464 T469 H470 A471 M570 T576 V578 M581V430-Q467 HydrophobicContact CG2-CB 4.16Å; V430-Q467 HydrophobicContact CG2-CG 4.19Å; S433-Q467 WeakPolarHBondContact OG-CG 3.48Å; S433-Q467 PolarHBondContact OG-NE2 3.26Å; G463-Q467 WeakPolarHBondContact O-CG 3.45Å; G463-Q467 PolarHBondContact O-N 3.27Å; G463-Q467 VanDerWaalsContact O-N 3.08Å; V464-Q467 PolarHBondContact O-N 2.85Å; Q467-T469 PolarHBondContact O-N 3.1Å; Q467-H470 PolarHBondContact O-N 3.35Å; Q467-A471 WeakPolarHBondContact O-CB 3.34Å; Q467-A471 PolarHBondContact O-N 3.46Å; Q467-M570 HydrophobicContact CG-CE 3.91Å; Q467-M570 VanDerWaalsContact OE1-CE 3.31Å; Q467-T576 PolarHBondContact NE2-O 3.48Å; Q467-V578 HydrophobicContact CB-CG2 4.29Å; Q467-M581 HydrophobicContact CB-SD 3.74Å
468Y94.8Very high92.4Very high90 Ų9034.7 Ų34.735%0.35318%0.184SC..Hα-helixtrans-60.2-46.1178.1175.3-98000111.8V464 L466 H470 A471 R472 M581V464-Y468 VanDerWaalsContact O-CB 3.32Å; V464-Y468 WeakPolarHBondContact O-CB 3.41Å; V464-Y468 PolarHBondContact O-N 3.03Å; L466-Y468 VanDerWaalsContact C-N 3.35Å; L466-Y468 PolarHBondContact O-N 3.14Å; Y468-H470 VanDerWaalsContact C-N 3.35Å; Y468-H470 PolarHBondContact O-N 2.86Å; Y468-A471 PolarHBondContact O-N 2.86Å; Y468-R472 VanDerWaalsContact O-CB 3.28Å; Y468-R472 WeakPolarHBondContact O-CB 3.45Å; Y468-R472 PolarHBondContact O-N 3.49Å; Y468-R472 PolarHBondContact OH-NH1 3.44Å; Y468-M581 WeakPolarHBondContact CA-SD 3.39Å; Y468-M581 PolarHBondContact N-SD 3.47Å
469T96Very high92.9Very high5 Ų540.8 Ų40.83%0.03119%0.193CC..Hα-helixtrans-60.3-46.4177-60.10000111.2F465 L466 Q467 R472 L473 S532 V535 L566F465-T469 WeakPolarHBondContact O-CB 3.19Å; F465-T469 PolarHBondContact O-N 3.47Å; F465-T469 PolarHBondContact O-OG1 2.98Å; L466-T469 PolarHBondContact O-N 3.21Å; Q467-T469 PolarHBondContact O-N 3.1Å; T469-R472 PolarHBondContact O-N 3.03Å; T469-L473 HydrophobicContact CG2-CD1 4.38Å; T469-L473 WeakPolarHBondContact O-CG 3.34Å; T469-L473 PolarHBondContact O-N 2.65Å; T469-L473 VanDerWaalsContact O-N 3.07Å; T469-S532 WeakPolarHBondContact OG1-CB 3.4Å; T469-V535 HydrophobicContact CG2-CB 4.04Å; T469-V535 HydrophobicContact CG2-CG1 3.75Å; T469-L566 HydrophobicContact CG2-CD2 3.78Å
470H96.9Very high93.3Very high6 Ų634.2 Ų34.23%0.02816%0.163CC..Hα-helixtrans-61.6-50.9178.6179.5-96.4000112L466 Q467 Y468 R472 L473 C474 L566 M570 V578L466-H470 PolarHBondContact O-N 3.4Å; Q467-H470 PolarHBondContact O-N 3.35Å; Y468-H470 VanDerWaalsContact C-N 3.35Å; Y468-H470 PolarHBondContact O-N 2.86Å; H470-R472 VanDerWaalsContact C-N 3.28Å; H470-R472 PolarHBondContact O-N 2.73Å; H470-L473 WeakPolarHBondContact O-CB 3.43Å; H470-L473 PolarHBondContact O-N 2.97Å; H470-L473 VanDerWaalsContact O-N 3.08Å; H470-C474 PolarHBondContact CE1-SG 3.32Å; H470-C474 PolarHBondContact O-N 2.77Å; H470-L566 HydrophobicContact CB-CD2 3.76Å; H470-L566 HydrophobicContact CB-CG 4.29Å; H470-M570 HydrophobicContact CB-SD 4.36Å; H470-V578 PolarHBondContact CE1-O 3.17Å; H470-V578 PolarHBondContact ND1-O 2.85Å
471A95Very high93Very high4 Ų439.4 Ų39.43%0.03318%0.176CC..Hα-helixtrans-60.8-36.3179.400000112.7Q467 Y468 C474 S475 V578 Q579 M581Q467-A471 WeakPolarHBondContact O-CB 3.34Å; Q467-A471 PolarHBondContact O-N 3.46Å; Y468-A471 PolarHBondContact O-N 2.86Å; A471-C474 PolarHBondContact O-N 3.21Å; A471-S475 WeakPolarHBondContact O-CB 3.47Å; A471-S475 PolarHBondContact O-N 3.33Å; A471-S475 PolarHBondContact O-OG 2.89Å; A471-V578 HydrophobicContact CB-CG2 4.39Å; A471-Q579 WeakPolarHBondContact CA-O 3.38Å; A471-M581 HydrophobicContact CB-CG 3.79Å; A471-M581 HydrophobicContact CB-SD 4.41Å
472R93.9Very high92.1Very high94 Ų9441.4 Ų41.436%0.35521%0.206SC..Hα-helixtrans-65.5-41.3174.5-173.7173179.1146-5.8112Y468 T469 H470 S475 L476 H539Y468-R472 VanDerWaalsContact O-CB 3.28Å; Y468-R472 WeakPolarHBondContact O-CB 3.45Å; Y468-R472 PolarHBondContact O-N 3.49Å; Y468-R472 PolarHBondContact OH-NH1 3.44Å; T469-R472 PolarHBondContact O-N 3.03Å; H470-R472 VanDerWaalsContact C-N 3.28Å; H470-R472 PolarHBondContact O-N 2.73Å; R472-S475 WeakPolarHBondContact O-CB 3.4Å; R472-S475 PolarHBondContact O-N 2.87Å; R472-L476 PolarHBondContact O-N 3.44Å; R472-H539 PolarHBondContact NE-CD2 3.16Å; R472-H539 PolarHBondContact NE-CE1 2.81Å; R472-H539 PolarHBondContact NE-NE2 2.73Å; R472-H539 PolarHBondContact NH2-CE1 2.94Å; R472-H539 PolarHBondContact NH2-ND1 3.28Å
473L94.9Very high91.1Very high1 Ų144.5 Ų44.51%0.00522%0.221CC..Hα-helixtrans-67.3-41.1174.7-69.9176.8000112T469 H470 S475 L476 M477 V535 F559 A562 R563T469-L473 HydrophobicContact CG2-CD1 4.38Å; T469-L473 WeakPolarHBondContact O-CG 3.34Å; T469-L473 PolarHBondContact O-N 2.65Å; T469-L473 VanDerWaalsContact O-N 3.07Å; H470-L473 WeakPolarHBondContact O-CB 3.43Å; H470-L473 PolarHBondContact O-N 2.97Å; H470-L473 VanDerWaalsContact O-N 3.08Å; L473-S475 VanDerWaalsContact C-N 3.29Å; L473-S475 PolarHBondContact O-N 3.4Å; L473-L476 WeakPolarHBondContact O-CB 3.31Å; L473-L476 PolarHBondContact O-N 2.75Å; L473-L476 VanDerWaalsContact O-N 3.14Å; L473-M477 WeakPolarHBondContact O-CG 3.29Å; L473-M477 PolarHBondContact O-N 3.23Å; L473-V535 HydrophobicContact CD1-CG1 3.97Å; L473-V535 HydrophobicContact CD1-CG2 4.36Å; L473-V535 HydrophobicContact CD2-CG1 3.73Å; L473-V535 HydrophobicContact CG-CG1 3.98Å; L473-F559 HydrophobicContact CD2-CB 3.89Å; L473-F559 HydrophobicContact CD2-CD1 3.65Å; L473-F559 HydrophobicContact CD2-CG 4.05Å; L473-A562 HydrophobicContact CD1-CB 4.35Å; L473-R563 HydrophobicContact CB-CB 3.85Å; L473-R563 HydrophobicContact CB-CG 3.74Å; L473-R563 HydrophobicContact CD1-CB 3.81Å; L473-R563 HydrophobicContact CD1-CG 4.38Å; L473-R563 HydrophobicContact CG-CB 4.45Å
474C93.8Very high89.3Confident16 Ų1651.9 Ų51.911%0.10826%0.255CS..Hα-helixtrans-55.9-46.6171.2-74.10000111.2H470 A471 L476 M477 Q478 Q579H470-C474 PolarHBondContact CE1-SG 3.32Å; H470-C474 PolarHBondContact O-N 2.77Å; A471-C474 PolarHBondContact O-N 3.21Å; C474-L476 VanDerWaalsContact C-N 3.29Å; C474-L476 PolarHBondContact O-N 3.23Å; C474-M477 PolarHBondContact O-N 2.81Å; C474-Q478 PolarHBondContact O-N 3.1Å; C474-Q579 HydrophobicContact CB-CB 4.41Å; C474-Q579 VanDerWaalsContact CB-O 3.27Å; C474-Q579 WeakPolarHBondContact CB-O 3.44Å
475S92.6Very high87.5Confident10 Ų1054 Ų547%0.0727%0.274CS..Hα-helixtrans-62.4-35.4176.9-59.80000113.1K418 A471 R472 L473 R479K418-S475 VanDerWaalsContact NZ-CB 3.3Å; K418-S475 PolarHBondContact NZ-OG 3.38Å; A471-S475 WeakPolarHBondContact O-CB 3.47Å; A471-S475 PolarHBondContact O-N 3.33Å; A471-S475 PolarHBondContact O-OG 2.89Å; R472-S475 WeakPolarHBondContact O-CB 3.4Å; R472-S475 PolarHBondContact O-N 2.87Å; L473-S475 VanDerWaalsContact C-N 3.29Å; L473-S475 PolarHBondContact O-N 3.4Å; S475-R479 VanDerWaalsContact O-CG 3.3Å; S475-R479 WeakPolarHBondContact O-CG 3.49Å; S475-R479 PolarHBondContact O-N 2.87Å; S475-R479 VanDerWaalsContact O-N 3.15Å
476L92.4Very high85.8Confident19 Ų1956.9 Ų56.910%0.09930%0.302CS..Hα-helixtrans-66.4-42.4175-179.965.1000111R472 L473 C474 N480 V544 L556 F559R472-L476 PolarHBondContact O-N 3.44Å; L473-L476 WeakPolarHBondContact O-CB 3.31Å; L473-L476 PolarHBondContact O-N 2.75Å; L473-L476 VanDerWaalsContact O-N 3.14Å; C474-L476 VanDerWaalsContact C-N 3.29Å; C474-L476 PolarHBondContact O-N 3.23Å; L476-N480 PolarHBondContact O-ND2 3.06Å; L476-V544 HydrophobicContact CD1-CB 4.29Å; L476-V544 HydrophobicContact CD1-CG2 4.14Å; L476-V544 HydrophobicContact CD2-CG2 4.32Å; L476-L556 HydrophobicContact CG-CD2 4.23Å; L476-F559 HydrophobicContact CD2-CB 3.91Å; L476-F559 HydrophobicContact CD2-CD1 4.49Å; L476-F559 HydrophobicContact CD2-CD2 3.52Å; L476-F559 HydrophobicContact CD2-CE2 4.16Å; L476-F559 HydrophobicContact CD2-CG 3.73Å
477M91.1Very high84.7Confident39 Ų3960.5 Ų60.519%0.19233%0.332CS..Hα-helixtrans-63.3-48.2176-61.4-57.293.800110.7L473 C474 R479 N480 E481 L556 F559L473-M477 WeakPolarHBondContact O-CG 3.29Å; L473-M477 PolarHBondContact O-N 3.23Å; C474-M477 PolarHBondContact O-N 2.81Å; M477-R479 VanDerWaalsContact C-N 3.31Å; M477-R479 PolarHBondContact O-N 3.26Å; M477-N480 CarbonylContact O-C 3.51Å; M477-N480 PolarHBondContact O-N 3.32Å; M477-E481 PolarHBondContact O-N 3.11Å; M477-E481 VanDerWaalsContact O-N 3.15Å; M477-L556 HydrophobicContact CE-CD2 3.47Å; M477-L556 VanDerWaalsContact CE-CD2 3.47Å; M477-L556 HydrophobicContact SD-CD2 4.5Å; M477-F559 HydrophobicContact CE-CB 4.02Å
478Q90.4Very high84.2Confident92 Ų9262 Ų6243%0.4334%0.339SS..Hα-helixtrans-57.7-41.7-178.6-167-177.71000112.6C474 N480 E481C474-Q478 PolarHBondContact O-N 3.1Å; Q478-N480 PolarHBondContact O-N 3.1Å; Q478-E481 WeakPolarHBondContact CG-OE1 3.24Å; Q478-E481 WeakPolarHBondContact O-CG 3.16Å; Q478-E481 PolarHBondContact O-N 3.35Å
479R89.4Confident84Confident194 Ų19460.8 Ų60.873%0.73234%0.338SS*.THydrogen-bonded Turntrans-68.6-14.2178.8-74.6173.5178.8173.8-0.2114.4S475 M477S475-R479 VanDerWaalsContact O-CG 3.3Å; S475-R479 WeakPolarHBondContact O-CG 3.49Å; S475-R479 PolarHBondContact O-N 2.87Å; S475-R479 VanDerWaalsContact O-N 3.15Å; M477-R479 VanDerWaalsContact C-N 3.31Å; M477-R479 PolarHBondContact O-N 3.26Å
480N86.9Confident83.8Confident29 Ų2961.7 Ų61.716%0.15534%0.344CS..THydrogen-bonded Turntrans-121.521.1-178.1-62.9-85.4000111.2L476 M477 Q478 G482 M483 L556L476-N480 PolarHBondContact O-ND2 3.06Å; M477-N480 CarbonylContact O-C 3.51Å; M477-N480 PolarHBondContact O-N 3.32Å; Q478-N480 PolarHBondContact O-N 3.1Å; N480-G482 PolarHBondContact O-N 3.2Å; N480-M483 HydrophobicContact CB-CE 4.02Å; N480-M483 PolarHBondContact O-N 3.03Å; N480-M483 VanDerWaalsContact OD1-CE 3.29Å; N480-M483 WeakPolarHBondContact OD1-CE 3.44Å; N480-L556 HydrophobicContact CB-CD1 3.7Å; N480-L556 HydrophobicContact CB-CD2 3.89Å; N480-L556 HydrophobicContact CB-CG 4.46Å
481E79.8Confident83.5Confident151 Ų15164.1 Ų64.171%0.70636%0.362SS*.THydrogen-bonded Turntrans-55.6129.5170.3-79.3173.1-169.800109.7M477 Q478M477-E481 PolarHBondContact O-N 3.11Å; M477-E481 VanDerWaalsContact O-N 3.15Å; Q478-E481 WeakPolarHBondContact CG-OE1 3.24Å; Q478-E481 WeakPolarHBondContact O-CG 3.16Å; Q478-E481 PolarHBondContact O-N 3.35Å
482G70.9Confident83.4Confident82 Ų8264.8 Ų64.885%0.84537%0.366SS*.THydrogen-bonded Turntrans99-9.8-177.700000115.7N480 E484N480-G482 PolarHBondContact O-N 3.2Å; G482-E484 PolarHBondContact O-N 3.07Å
483M73Confident83.2Confident71 Ų7160.3 Ų60.335%0.3535%0.349SS..SBendtrans-74.7104.3165.1-123.4179.7-76.100108N480 A485 A552 Q553 L556N480-M483 HydrophobicContact CB-CE 4.02Å; N480-M483 PolarHBondContact O-N 3.03Å; N480-M483 VanDerWaalsContact OD1-CE 3.29Å; N480-M483 WeakPolarHBondContact OD1-CE 3.44Å; M483-A485 PolarHBondContact O-N 3.35Å; M483-A552 HydrophobicContact SD-CB 3.92Å; M483-Q553 HydrophobicContact CG-CG 4.41Å; M483-Q553 HydrophobicContact SD-CG 4.41Å; M483-L556 HydrophobicContact CB-CD1 4.25Å; M483-L556 HydrophobicContact CE-CD1 4.04Å; M483-L556 HydrophobicContact SD-CD1 3.73Å
484E59.6Low82.7Confident155 Ų15564 Ų6472%0.72437%0.374SS*.  trans-51.4130.6-173.7-90.1-163.9167.600112.6G482G482-E484 PolarHBondContact O-N 3.07Å
485A57.4Low82.5Confident49 Ų4966.1 Ų66.141%0.40538%0.382SS..  trans-10219-173.100000112.4M483 R557M483-A485 PolarHBondContact O-N 3.35Å; A485-R557 PolarHBondContact O-NH1 3.32Å; A485-R557 PolarHBondContact O-NH2 3.12Å
486A59.7Low82.3Confident88 Ų8872.1 Ų72.173%0.72740%0.403SS*.SBendtrans-84-41-17700000113
487A72.9Confident82.3Confident75 Ų7571.7 Ų71.762%0.6240%0.402SS*.  trans-129141.8179.500000110.2
488F87.4Confident82.4Confident33 Ų3369.8 Ų69.815%0.14539%0.392CS..  trans-137.3153.9171.276.4-78.7000108.8L104 P490 L493 Q553 A554 R557L104-F488 HydrophobicContact CB-CE1 4.09Å; L104-F488 HydrophobicContact CB-CZ 3.75Å; L104-F488 HydrophobicContact CD1-CE2 3.99Å; L104-F488 HydrophobicContact CD1-CZ 3.93Å; L104-F488 HydrophobicContact CG-CZ 4.41Å; F488-P490 HydrophobicContact CE2-CB 3.87Å; F488-P490 HydrophobicContact CZ-CB 4.32Å; F488-P490 VanDerWaalsContact O-CD 3.26Å; F488-P490 WeakPolarHBondContact O-CD 3.44Å; F488-L493 HydrophobicContact CE2-CD1 4.12Å; F488-Q553 HydrophobicContact CB-CB 4.45Å; F488-A554 HydrophobicContact CD2-CB 3.88Å; F488-R557 HydrophobicContact CD1-CG 4.16Å; F488-R557 HydrophobicContact CE1-CG 4.11Å; F488-R557 HydrophobicContact CG-CB 4.38Å; F488-R557 HydrophobicContact CZ-CG 4.41Å
489N90.9Very high82.5Confident64 Ų6465.8 Ų65.834%0.34237%0.374SS..  trans-87.1108.7174.8-176.24.8000110.3S491 C492 D550 A554N489-S491 PolarHBondContact ND2-OG 3.03Å; N489-S491 VanDerWaalsContact ND2-OG 3.1Å; N489-S491 PolarHBondContact O-N 2.71Å; N489-S491 PolarHBondContact OD1-N 2.67Å; N489-S491 PolarHBondContact OD1-OG 2.92Å; N489-C492 PolarHBondContact ND2-SG 2.74Å; N489-C492 VanDerWaalsContact ND2-SG 3.4Å; N489-C492 WeakPolarHBondContact O-CB 3.35Å; N489-C492 PolarHBondContact O-N 3.47Å; N489-D550 HydrophobicContact CB-CB 4.47Å; N489-A554 WeakPolarHBondContact O-CB 3.4Å
490P90.9Very high82.7Confident23 Ų2357.6 Ų57.615%0.14935%0.345CS..G310 helixtrans-68.3-22.4-177.629-35.9000113.5S97 A100 E101 F488 C492 L493S97-P490 VanDerWaalsContact O-CB 3.28Å; S97-P490 WeakPolarHBondContact O-CB 3.27Å; A100-P490 HydrophobicContact CB-CB 3.9Å; E101-P490 HydrophobicContact CB-CB 4.12Å; E101-P490 HydrophobicContact CB-CG 4.16Å; F488-P490 HydrophobicContact CE2-CB 3.87Å; F488-P490 HydrophobicContact CZ-CB 4.32Å; F488-P490 VanDerWaalsContact O-CD 3.26Å; F488-P490 WeakPolarHBondContact O-CD 3.44Å; P490-C492 PolarHBondContact O-N 3.49Å; P490-L493 PolarHBondContact O-N 3.43Å; P490-L493 VanDerWaalsContact O-N 3.16Å
491S91.6Very high83.1Confident57 Ų5756.2 Ų56.240%0.39934%0.337SS..G310 helixtrans-67.3-15177.274.60000112.5S97 N489 L493 C494S97-S491 WeakPolarHBondContact OG-CA 3.41Å; N489-S491 PolarHBondContact ND2-OG 3.03Å; N489-S491 VanDerWaalsContact ND2-OG 3.1Å; N489-S491 PolarHBondContact O-N 2.71Å; N489-S491 PolarHBondContact OD1-N 2.67Å; N489-S491 PolarHBondContact OD1-OG 2.92Å; S491-L493 PolarHBondContact O-N 3.12Å; S491-C494 PolarHBondContact O-SG 3.27Å
492C91.8Very high83.8Confident18 Ų1849 Ų4912%0.12230%0.304CS..G310 helixtrans-79.83.8175.6-60.60000113.7N489 P490 V551 A554N489-C492 PolarHBondContact ND2-SG 2.74Å; N489-C492 VanDerWaalsContact ND2-SG 3.4Å; N489-C492 WeakPolarHBondContact O-CB 3.35Å; N489-C492 PolarHBondContact O-N 3.47Å; P490-C492 PolarHBondContact O-N 3.49Å; C492-V551 HydrophobicContact CB-CG2 4.11Å; C492-A554 HydrophobicContact CB-CB 3.81Å
493L90.1Very high84.9Confident1 Ų145.3 Ų45.31%0.00526%0.264CS..  trans-116.351.6177.9-66.7175.3000111.9A100 L104 F488 P490 S491 A554 R555 L558A100-L493 HydrophobicContact CB-CB 4.37Å; A100-L493 HydrophobicContact CB-CD1 4.18Å; L104-L493 HydrophobicContact CD1-CD1 3.52Å; F488-L493 HydrophobicContact CE2-CD1 4.12Å; P490-L493 PolarHBondContact O-N 3.43Å; P490-L493 VanDerWaalsContact O-N 3.16Å; S491-L493 PolarHBondContact O-N 3.12Å; L493-A554 HydrophobicContact CD1-CB 4.27Å; L493-A554 HydrophobicContact CD2-CB 4.16Å; L493-A554 HydrophobicContact CG-CB 3.87Å; L493-R555 HydrophobicContact CD2-CG 4.17Å; L493-L558 HydrophobicContact CD1-CB 4.26Å; L493-L558 HydrophobicContact CD2-CB 4.31Å; L493-L558 HydrophobicContact CD2-CD2 4.24Å
494C83.9Confident85.9Confident79 Ų7941.9 Ų41.953%0.53425%0.248SC..  trans-97.5-11.4-179.8-67.60000113S491S491-C494 PolarHBondContact O-SG 3.27Å
495E90Very high87.6Confident60 Ų6034.6 Ų34.628%0.2821%0.213SC..SBendtrans-66.3143-179-569613400111.1T497 G498 V499 L542 R555E495-T497 VanDerWaalsContact C-N 3.32Å; E495-T497 PolarHBondContact O-N 3.08Å; E495-G498 WeakPolarHBondContact O-CA 3.04Å; E495-G498 PolarHBondContact O-N 2.81Å; E495-V499 PolarHBondContact O-N 3.1Å; E495-L542 HydrophobicContact CB-CD2 3.7Å; E495-L542 HydrophobicContact CG-CD2 3.82Å; E495-R555 IonicContact OE1-CZ 2.74Å; E495-R555 IonicContact OE1-NE 3.2Å; E495-R555 IonicContact OE1-NH2 3.13Å; E495-R555 PolarHBondContact OE1-NH2 3.19Å
496R88.9Confident89.4Confident135 Ų13532.3 Ų32.351%0.50919%0.194SC..Hα-helixtrans-51.6-47.6-174.7-178.6-179.7178.4177.22.2113.2G498 V499 D500R496-G498 VanDerWaalsContact C-N 3.26Å; R496-G498 PolarHBondContact O-N 3.35Å; R496-V499 PolarHBondContact O-N 3.4Å; R496-D500 VanDerWaalsContact O-CG 3.28Å; R496-D500 PolarHBondContact O-N 3.21Å
497T91.6Very high91Very high10 Ų1030.6 Ų30.66%0.06117%0.169CC..Hα-helixtrans-67.5-27.2-179.137.80000113.1E495 E541E495-T497 VanDerWaalsContact C-N 3.32Å; E495-T497 PolarHBondContact O-N 3.08Å; T497-E541 WeakPolarHBondContact CG2-OE2 3.41Å; T497-E541 PolarHBondContact OG1-OE2 3.38Å
498G93.1Very high92.1Very high0 Ų027.1 Ų27.10%014%0.14CC..Hα-helixtrans-71.1-46.4171.200000111.7E495 R496 D500 I501 L502E495-G498 WeakPolarHBondContact O-CA 3.04Å; E495-G498 PolarHBondContact O-N 2.81Å; R496-G498 VanDerWaalsContact C-N 3.26Å; R496-G498 PolarHBondContact O-N 3.35Å; G498-D500 PolarHBondContact O-N 2.91Å; G498-I501 PolarHBondContact O-N 2.92Å; G498-L502 PolarHBondContact O-N 3.18Å; G498-L502 VanDerWaalsContact O-N 3.11Å
499V92.2Very high92.4Very high7 Ų725.8 Ų25.84%0.04214%0.135CC..Hα-helixtrans-61.8-41.2177176.10000111.7E495 R496 I501 L502 Q503E495-V499 PolarHBondContact O-N 3.1Å; R496-V499 PolarHBondContact O-N 3.4Å; V499-I501 VanDerWaalsContact C-N 3.25Å; V499-I501 PolarHBondContact O-N 2.87Å; V499-L502 PolarHBondContact O-N 3.31Å; V499-L502 VanDerWaalsContact O-N 3.15Å; V499-Q503 HydrophobicContact CG1-CG 4.08Å; V499-Q503 WeakPolarHBondContact O-CB 3.34Å; V499-Q503 WeakPolarHBondContact O-CG 3.4Å; V499-Q503 PolarHBondContact O-N 2.73Å
500D93.4Very high92.6Very high22 Ų2224.1 Ų24.112%0.11813%0.125CC..Hα-helixtrans-58.4-37.9177.2-74.3-16.6000111.6V33 R496 G498 H504 F534V33-D500 HydrophobicContact CG1-CB 4.13Å; V33-D500 WeakPolarHBondContact CG1-OD1 3.45Å; R496-D500 VanDerWaalsContact O-CG 3.28Å; R496-D500 PolarHBondContact O-N 3.21Å; G498-D500 PolarHBondContact O-N 2.91Å; D500-H504 VanDerWaalsContact O-CB 3.28Å; D500-H504 WeakPolarHBondContact O-CB 3.34Å; D500-H504 PolarHBondContact O-N 3.31Å; D500-F534 HydrophobicContact CB-CD1 4.14Å; D500-F534 HydrophobicContact CB-CE1 4.28Å; D500-F534 HydrophobicContact CB-CG 4.48Å
501I95.6Very high92.8Very high0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-68-49.9174.5-66.8172.9000110.2G498 V499 Q503 H504 L505 L531 F534 V535 A538 L558 A562G498-I501 PolarHBondContact O-N 2.92Å; V499-I501 VanDerWaalsContact C-N 3.25Å; V499-I501 PolarHBondContact O-N 2.87Å; I501-Q503 VanDerWaalsContact C-N 3.33Å; I501-Q503 PolarHBondContact O-N 3.47Å; I501-H504 PolarHBondContact O-N 3.49Å; I501-H504 VanDerWaalsContact O-N 3.17Å; I501-L505 HydrophobicContact CG2-CD1 3.91Å; I501-L505 HydrophobicContact CG2-CG 4.14Å; I501-L505 WeakPolarHBondContact O-CB 3.34Å; I501-L505 VanDerWaalsContact O-CG 3.28Å; I501-L505 WeakPolarHBondContact O-CG 3.26Å; I501-L505 PolarHBondContact O-N 3.43Å; I501-L531 HydrophobicContact CG2-CD1 4.29Å; I501-F534 HydrophobicContact CG1-CB 3.79Å; I501-V535 HydrophobicContact CD1-CG2 4.24Å; I501-A538 HydrophobicContact CD1-CB 3.49Å; I501-A538 VanDerWaalsContact CD1-CB 3.49Å; I501-L558 HydrophobicContact CB-CD1 4.04Å; I501-L558 HydrophobicContact CB-CD2 4.35Å; I501-L558 HydrophobicContact CB-CG 4.4Å; I501-L558 HydrophobicContact CD1-CD2 4.16Å; I501-L558 HydrophobicContact CD1-CG 4.49Å; I501-L558 HydrophobicContact CG2-CD1 3.64Å; I501-L558 HydrophobicContact CG2-CG 4.08Å; I501-A562 HydrophobicContact CG2-CB 4.28Å
502L94.7Very high93Very high1 Ų120.6 Ų20.61%0.00510%0.1CC..Hα-helixtrans-56-47.6179-67.3170.5000111.5L99 A100 L103 L104 G498 V499 H504 L505 L506 L558L99-L502 HydrophobicContact CD2-CB 4.29Å; L99-L502 HydrophobicContact CG-CB 4.47Å; A100-L502 HydrophobicContact CB-CD1 3.86Å; L103-L502 HydrophobicContact CD2-CB 4.09Å; L103-L502 HydrophobicContact CD2-CD2 3.86Å; L103-L502 WeakPolarHBondContact CD2-O 3.44Å; L104-L502 HydrophobicContact CD1-CD2 4.01Å; L104-L502 HydrophobicContact CD2-CD2 3.98Å; L104-L502 HydrophobicContact CG-CD2 3.9Å; G498-L502 PolarHBondContact O-N 3.18Å; G498-L502 VanDerWaalsContact O-N 3.11Å; V499-L502 PolarHBondContact O-N 3.31Å; V499-L502 VanDerWaalsContact O-N 3.15Å; L502-H504 VanDerWaalsContact C-N 3.35Å; L502-H504 PolarHBondContact O-N 2.99Å; L502-L505 PolarHBondContact O-N 3.26Å; L502-L506 PolarHBondContact O-N 3.43Å; L502-L506 VanDerWaalsContact O-N 3.13Å; L502-L558 HydrophobicContact CD2-CD1 3.59Å; L502-L558 HydrophobicContact CG-CD1 3.79Å
503Q93.5Very high93.2Very high3 Ų322.9 Ų22.91%0.01411%0.107CC..Hα-helixtrans-62.7-40.7177.8-73.5-175.9-29.800112.3V33 S41 A42 D43 V499 I501 L506V33-Q503 HydrophobicContact CG2-CB 3.62Å; S41-Q503 PolarHBondContact O-NE2 2.73Å; S41-Q503 PolarHBondContact OG-NE2 3.47Å; S41-Q503 VanDerWaalsContact OG-NE2 3.13Å; S41-Q503 PolarHBondContact OG-OE1 3.39Å; A42-Q503 PolarHBondContact O-NE2 3.17Å; D43-Q503 VanDerWaalsContact OD1-CG 3.27Å; D43-Q503 WeakPolarHBondContact OD1-CG 3.49Å; D43-Q503 PolarHBondContact OD1-NE2 3.16Å; V499-Q503 HydrophobicContact CG1-CG 4.08Å; V499-Q503 WeakPolarHBondContact O-CB 3.34Å; V499-Q503 WeakPolarHBondContact O-CG 3.4Å; V499-Q503 PolarHBondContact O-N 2.73Å; I501-Q503 VanDerWaalsContact C-N 3.33Å; I501-Q503 PolarHBondContact O-N 3.47Å; Q503-L506 WeakPolarHBondContact O-CB 3.16Å; Q503-L506 PolarHBondContact O-N 2.97Å
504H95.6Very high93.4Very high0 Ų027 Ų270%013%0.126CC..Hα-helixtrans-68.8-38.5177.2-168.270.9000111.4V33 D500 I501 L502 L506 R507 F527 L531 F534V33-H504 HydrophobicContact CG2-CB 4.39Å; D500-H504 VanDerWaalsContact O-CB 3.28Å; D500-H504 WeakPolarHBondContact O-CB 3.34Å; D500-H504 PolarHBondContact O-N 3.31Å; I501-H504 PolarHBondContact O-N 3.49Å; I501-H504 VanDerWaalsContact O-N 3.17Å; L502-H504 VanDerWaalsContact C-N 3.35Å; L502-H504 PolarHBondContact O-N 2.99Å; H504-L506 VanDerWaalsContact C-N 3.3Å; H504-L506 PolarHBondContact O-N 2.85Å; H504-R507 WeakPolarHBondContact O-CB 3.33Å; H504-R507 PolarHBondContact O-N 3.38Å; H504-R507 VanDerWaalsContact O-N 3.1Å; H504-F527 AromaticContact CD2-CE2 3.67Å; H504-F527 AromaticContact CD2-CZ 3.89Å; H504-F527 AromaticContact CE1-CD2 3.49Å; H504-F527 VanDerWaalsContact CE1-CD2 3.49Å; H504-F527 WeakPolarHBondContact CE1-CD2 3.43Å; H504-F527 AromaticContact CE1-CE2 3.8Å; H504-F527 AromaticContact NE2-CD2 3.29Å; H504-F527 VanDerWaalsContact NE2-CD2 3.29Å; H504-F527 WeakPolarHBondContact NE2-CD2 3.28Å; H504-F527 AromaticContact NE2-CE2 3.4Å; H504-F527 WeakPolarHBondContact NE2-CE2 3.49Å; H504-F527 AromaticContact NE2-CG 3.7Å; H504-F527 AromaticContact NE2-CZ 3.85Å; H504-F527 PolarHBondContact NE2-O 3.46Å; H504-F527 WeakPolarHBondContact O-CE2 3.39Å; H504-L531 PolarHBondContact NE2-N 3.13Å; H504-F534 HydrophobicContact CB-CD2 3.84Å; H504-F534 HydrophobicContact CB-CE2 3.78Å; H504-F534 AromaticContact CG-CD2 3.88Å; H504-F534 AromaticContact CG-CE2 3.74Å; H504-F534 AromaticContact ND1-CE2 3.84Å
505L95.3Very high94Very high1 Ų123.3 Ų23.31%0.00510%0.101CC..Hα-helixtrans-62.4-31.5175.8-70.7179.3000113.3L103 F115 I501 L502 R507 Y508 L531 A561 V565L103-L505 HydrophobicContact CD2-CB 3.95Å; F115-L505 HydrophobicContact CZ-CB 4.34Å; I501-L505 HydrophobicContact CG2-CD1 3.91Å; I501-L505 HydrophobicContact CG2-CG 4.14Å; I501-L505 WeakPolarHBondContact O-CB 3.34Å; I501-L505 VanDerWaalsContact O-CG 3.28Å; I501-L505 WeakPolarHBondContact O-CG 3.26Å; I501-L505 PolarHBondContact O-N 3.43Å; L502-L505 PolarHBondContact O-N 3.26Å; L505-R507 PolarHBondContact O-N 2.69Å; L505-R507 VanDerWaalsContact O-N 3.14Å; L505-Y508 WeakPolarHBondContact O-CB 3.43Å; L505-Y508 PolarHBondContact O-N 3.24Å; L505-L531 HydrophobicContact CD2-CD1 4.1Å; L505-L531 HydrophobicContact CD2-CD2 4.18Å; L505-A561 HydrophobicContact CD1-CB 4.08Å; L505-V565 HydrophobicContact CD2-CB 3.91Å; L505-V565 HydrophobicContact CD2-CG1 3.92Å; L505-V565 HydrophobicContact CD2-CG2 3.88Å
506L94Very high94.3Very high1 Ų120.7 Ų20.71%0.0059%0.089CC..THydrogen-bonded Turntrans-58-24.5173.5-75.9173.4000113.6A2 F5 R6 A30 D43 F44 L99 L103 L502 Q503 H504 Y508A2-L506 HydrophobicContact CB-CD2 3.93Å; F5-L506 HydrophobicContact CD2-CD2 4.34Å; R6-L506 PolarHBondContact NH2-O 3.24Å; A30-L506 HydrophobicContact CB-CB 4.01Å; D43-L506 HydrophobicContact CB-CD1 4.09Å; F44-L506 HydrophobicContact CE2-CD1 3.98Å; F44-L506 HydrophobicContact CE2-CD2 4.34Å; F44-L506 HydrophobicContact CZ-CD1 4.42Å; F44-L506 HydrophobicContact CZ-CD2 4.3Å; L99-L506 HydrophobicContact CD1-CD1 3.8Å; L99-L506 HydrophobicContact CD1-CD2 3.94Å; L99-L506 HydrophobicContact CD1-CG 4.06Å; L99-L506 HydrophobicContact CD2-CD1 4.5Å; L103-L506 HydrophobicContact CD1-CD2 3.9Å; L103-L506 HydrophobicContact CD2-CD2 4.4Å; L103-L506 HydrophobicContact CD2-CG 4.27Å; L502-L506 PolarHBondContact O-N 3.43Å; L502-L506 VanDerWaalsContact O-N 3.13Å; Q503-L506 WeakPolarHBondContact O-CB 3.16Å; Q503-L506 PolarHBondContact O-N 2.97Å; H504-L506 VanDerWaalsContact C-N 3.3Å; H504-L506 PolarHBondContact O-N 2.85Å; L506-Y508 VanDerWaalsContact C-N 3.34Å
507R94.1Very high94.5Very high53 Ų5318.7 Ų18.720%0.29%0.085CC..THydrogen-bonded Turntrans-86.6-4-176-57.7178.666.4-132-7.7113.4A30 H504 L505 D509 E510 V511 F527A30-R507 HydrophobicContact CB-CB 4.43Å; A30-R507 HydrophobicContact CB-CG 3.52Å; H504-R507 WeakPolarHBondContact O-CB 3.33Å; H504-R507 PolarHBondContact O-N 3.38Å; H504-R507 VanDerWaalsContact O-N 3.1Å; L505-R507 PolarHBondContact O-N 2.69Å; L505-R507 VanDerWaalsContact O-N 3.14Å; R507-D509 PolarHBondContact O-N 3.47Å; R507-E510 PolarHBondContact O-N 2.85Å; R507-V511 WeakPolarHBondContact O-CG2 3.48Å; R507-V511 PolarHBondContact O-N 3.11Å; R507-F527 HydrophobicContact CB-CE2 4.19Å
508Y95.6Very high94.7Very high1 Ų121.9 Ų21.90%0.00410%0.102CC..Hα-helixtrans-63.9-43.1-170.2-173.9-127.2000112.5F115 L505 L506 V511 L512 L524 F527 V565 S568 G569F115-Y508 AromaticContact CD1-CD1 3.66Å; F115-Y508 HydrophobicContact CD1-CD1 3.66Å; F115-Y508 HydrophobicContact CD1-CE1 4.36Å; F115-Y508 HydrophobicContact CD1-CG 4.45Å; F115-Y508 HydrophobicContact CE1-CD1 4.1Å; F115-Y508 HydrophobicContact CE1-CG 4.48Å; F115-Y508 WeakPolarHBondContact O-CD1 3.42Å; F115-Y508 WeakPolarHBondContact O-CE1 3.38Å; L505-Y508 WeakPolarHBondContact O-CB 3.43Å; L505-Y508 PolarHBondContact O-N 3.24Å; L506-Y508 VanDerWaalsContact C-N 3.34Å; Y508-V511 PolarHBondContact O-N 3.21Å; Y508-L512 HydrophobicContact CD1-CD1 4.08Å; Y508-L512 HydrophobicContact CD2-CG 4.45Å; Y508-L512 HydrophobicContact CE1-CD1 3.71Å; Y508-L512 HydrophobicContact CE1-CG 4.43Å; Y508-L512 HydrophobicContact CE2-CD1 4.32Å; Y508-L512 HydrophobicContact CE2-CD2 4.18Å; Y508-L512 HydrophobicContact CE2-CG 4.18Å; Y508-L512 WeakPolarHBondContact O-CG 3.47Å; Y508-L512 PolarHBondContact O-N 2.79Å; Y508-L524 HydrophobicContact CE2-CD1 3.81Å; Y508-F527 AromaticContact CD2-CD1 3.93Å; Y508-F527 HydrophobicContact CD2-CD1 3.93Å; Y508-F527 AromaticContact CD2-CE1 3.39Å; Y508-F527 HydrophobicContact CD2-CE1 3.39Å; Y508-F527 HydrophobicContact CD2-CE2 4.42Å; Y508-F527 AromaticContact CD2-CZ 3.68Å; Y508-F527 HydrophobicContact CD2-CZ 3.68Å; Y508-F527 HydrophobicContact CE2-CD1 4.38Å; Y508-F527 HydrophobicContact CE2-CE1 4.04Å; Y508-F527 HydrophobicContact CG-CE1 4.22Å; Y508-F527 HydrophobicContact CG-CZ 4.11Å; Y508-V565 HydrophobicContact CD1-CG1 4.09Å; Y508-V565 HydrophobicContact CD2-CG1 3.84Å; Y508-V565 HydrophobicContact CE1-CG1 4.17Å; Y508-V565 HydrophobicContact CE2-CG1 3.94Å; Y508-V565 HydrophobicContact CG-CG1 3.91Å; Y508-S568 PolarHBondContact OH-OG 3.4Å; Y508-G569 WeakPolarHBondContact OH-CA 3.28Å; Y508-G569 PolarHBondContact OH-N 2.94Å
509D94.2Very high94.9Very high6 Ų622.3 Ų22.33%0.03210%0.104CC..Hα-helixtrans-64.9-40.8177.860.2-12.1000112.8R6 G116 S119 F122 R507 V511 L512 Y513R6-D509 IonicContact CZ-OD1 3.63Å; R6-D509 IonicContact CZ-OD2 3.93Å; R6-D509 IonicContact NH1-OD1 3.49Å; R6-D509 IonicContact NH1-OD2 2.67Å; R6-D509 PolarHBondContact NH1-OD2 3.3Å; R6-D509 IonicContact NH2-OD1 3.99Å; R6-D509 PolarHBondContact NH2-OD1 3.15Å; R6-D509 IonicContact NH2-OD2 3.55Å; R6-D509 PolarHBondContact NH2-OD2 3.02Å; G116-D509 VanDerWaalsContact O-CB 3.27Å; G116-D509 WeakPolarHBondContact O-CB 3.38Å; S119-D509 WeakPolarHBondContact CB-OD2 3.31Å; S119-D509 PolarHBondContact OG-OD2 3.42Å; F122-D509 HydrophobicContact CE2-CB 4.32Å; F122-D509 WeakPolarHBondContact CZ-O 3.48Å; R507-D509 PolarHBondContact O-N 3.47Å; D509-V511 VanDerWaalsContact C-N 3.31Å; D509-V511 PolarHBondContact O-N 3.37Å; D509-L512 PolarHBondContact O-N 2.94Å; D509-Y513 WeakPolarHBondContact O-CB 3.48Å; D509-Y513 PolarHBondContact O-N 2.95Å
510E93.9Very high95.1Very high28 Ų2823.3 Ų23.313%0.13111%0.109CC..Hα-helixtrans-59.9-40.9173.2-69.7169.5-166.500112.1R6 T29 A30 F121 R507 Y513 Q514R6-E510 IonicContact CZ-OE1 2.7Å; R6-E510 IonicContact NE-OE1 3.63Å; R6-E510 PolarHBondContact NE-OE1 2.75Å; R6-E510 IonicContact NH2-OE1 3.05Å; R6-E510 PolarHBondContact NH2-OE1 2.97Å; T29-E510 WeakPolarHBondContact CA-OE1 3.04Å; A30-E510 PolarHBondContact N-OE1 3.46Å; A30-E510 PolarHBondContact N-OE2 3.25Å; F121-E510 HydrophobicContact CD2-CG 4.31Å; F121-E510 HydrophobicContact CE2-CG 3.44Å; F121-E510 VanDerWaalsContact CE2-CG 3.44Å; F121-E510 HydrophobicContact CZ-CG 3.87Å; R507-E510 PolarHBondContact O-N 2.85Å; E510-Y513 PolarHBondContact O-N 3.06Å; E510-Q514 WeakPolarHBondContact O-CB 3.42Å; E510-Q514 PolarHBondContact O-N 3.25Å
511V96.1Very high95.3Very high6 Ų622.3 Ų22.34%0.03610%0.103CC..Hα-helixtrans-68.4-41.6178.7169.10000111.2R507 Y508 D509 Q514 S515 H523 L524 F527R507-V511 WeakPolarHBondContact O-CG2 3.48Å; R507-V511 PolarHBondContact O-N 3.11Å; Y508-V511 PolarHBondContact O-N 3.21Å; D509-V511 VanDerWaalsContact C-N 3.31Å; D509-V511 PolarHBondContact O-N 3.37Å; V511-Q514 PolarHBondContact O-N 3.02Å; V511-S515 WeakPolarHBondContact O-CB 3.27Å; V511-S515 PolarHBondContact O-N 3.34Å; V511-S515 PolarHBondContact O-OG 3.47Å; V511-H523 HydrophobicContact CG1-CB 4.24Å; V511-L524 HydrophobicContact CG1-CB 4.3Å; V511-L524 HydrophobicContact CG1-CD1 4.32Å; V511-F527 HydrophobicContact CB-CB 4.49Å; V511-F527 HydrophobicContact CB-CD2 4.41Å; V511-F527 HydrophobicContact CG1-CB 3.88Å; V511-F527 HydrophobicContact CG1-CG 4.3Å; V511-F527 HydrophobicContact CG2-CB 4.13Å; V511-F527 HydrophobicContact CG2-CD2 3.79Å; V511-F527 HydrophobicContact CG2-CG 4.21Å
512L96.3Very high95.4Very high0 Ų025.2 Ų25.20%012%0.116CC..Hα-helixtrans-63.7-42.7174.9-68.6179.5000111.4L117 F122 L160 Y508 D509 S515 D516 L524 I572L117-L512 HydrophobicContact CD2-CD1 3.64Å; L117-L512 HydrophobicContact CG-CD1 4.41Å; F122-L512 HydrophobicContact CZ-CB 3.85Å; L160-L512 HydrophobicContact CD1-CD2 4.2Å; Y508-L512 HydrophobicContact CD1-CD1 4.08Å; Y508-L512 HydrophobicContact CD2-CG 4.45Å; Y508-L512 HydrophobicContact CE1-CD1 3.71Å; Y508-L512 HydrophobicContact CE1-CG 4.43Å; Y508-L512 HydrophobicContact CE2-CD1 4.32Å; Y508-L512 HydrophobicContact CE2-CD2 4.18Å; Y508-L512 HydrophobicContact CE2-CG 4.18Å; Y508-L512 WeakPolarHBondContact O-CG 3.47Å; Y508-L512 PolarHBondContact O-N 2.79Å; D509-L512 PolarHBondContact O-N 2.94Å; L512-S515 PolarHBondContact O-N 3.3Å; L512-D516 PolarHBondContact O-N 3.44Å; L512-L524 HydrophobicContact CD2-CD1 4.28Å; L512-L524 HydrophobicContact CD2-CD2 4.33Å; L512-I572 HydrophobicContact CD2-CD1 3.82Å
513Y94.8Very high95.6Very high67 Ų6726.7 Ų26.726%0.26312%0.122SC..Hα-helixtrans-61.3-46.1174.8-177.2-103.9000111.9F121 F122 L125 D509 E510 S515 D516 Q517F121-Y513 HydrophobicContact CB-CD2 3.7Å; F121-Y513 HydrophobicContact CB-CE2 4.24Å; F121-Y513 HydrophobicContact CB-CG 3.85Å; F121-Y513 HydrophobicContact CD1-CD1 4.49Å; F121-Y513 HydrophobicContact CG-CG 4.31Å; F121-Y513 WeakPolarHBondContact O-CD2 3.4Å; F121-Y513 WeakPolarHBondContact O-CE2 3.42Å; F122-Y513 HydrophobicContact CD1-CD2 4.09Å; F122-Y513 AromaticContact CE1-CD2 3.95Å; F122-Y513 HydrophobicContact CE1-CD2 3.95Å; F122-Y513 HydrophobicContact CE1-CG 4.38Å; L125-Y513 HydrophobicContact CD2-CE2 4.2Å; L125-Y513 HydrophobicContact CG-CE2 4.47Å; D509-Y513 WeakPolarHBondContact O-CB 3.48Å; D509-Y513 PolarHBondContact O-N 2.95Å; E510-Y513 PolarHBondContact O-N 3.06Å; Y513-S515 PolarHBondContact O-N 3.33Å; Y513-D516 WeakPolarHBondContact O-CB 3.29Å; Y513-D516 PolarHBondContact O-N 2.76Å; Y513-D516 VanDerWaalsContact O-N 3.13Å; Y513-Q517 HydrophobicContact CD1-CG 4.28Å; Y513-Q517 HydrophobicContact CE1-CG 3.9Å; Y513-Q517 HydrophobicContact CE2-CG 4.36Å; Y513-Q517 WeakPolarHBondContact O-CG 3.28Å; Y513-Q517 PolarHBondContact O-N 3.3Å
514Q95.1Very high95.8Very high88 Ų8826.5 Ų26.541%0.41112%0.122SC..Hα-helixtrans-63.2-41.6176.7-169.4176.71800112.1E510 V511 D516 Q517 D518E510-Q514 WeakPolarHBondContact O-CB 3.42Å; E510-Q514 PolarHBondContact O-N 3.25Å; V511-Q514 PolarHBondContact O-N 3.02Å; Q514-D516 VanDerWaalsContact C-N 3.26Å; Q514-D516 PolarHBondContact O-N 3.24Å; Q514-Q517 PolarHBondContact O-N 3.01Å; Q514-D518 WeakPolarHBondContact O-CB 3.34Å; Q514-D518 PolarHBondContact O-N 3.26Å
515S96.8Very high95.9Very high0 Ų026.6 Ų26.60%012%0.122CC..Hα-helixtrans-61.4-33.4173.4-86.10000112.8V511 L512 Y513 L519 Q520V511-S515 WeakPolarHBondContact O-CB 3.27Å; V511-S515 PolarHBondContact O-N 3.34Å; V511-S515 PolarHBondContact O-OG 3.47Å; L512-S515 PolarHBondContact O-N 3.3Å; Y513-S515 PolarHBondContact O-N 3.33Å; S515-L519 WeakPolarHBondContact O-CA 3.26Å; S515-L519 PolarHBondContact O-N 3.34Å; S515-Q520 PolarHBondContact O-N 2.95Å; S515-Q520 PolarHBondContact OG-O 3.47Å
516D95.2Very high96Very high6 Ų630.2 Ų30.23%0.03215%0.148CC..Hα-helixtrans-72.6-42.2177.9-172.373.3000112.9L160 K161 L164 L512 Y513 Q514 L519L160-D516 HydrophobicContact CD2-CB 4.27Å; K161-D516 VanDerWaalsContact CD-OD1 3.28Å; K161-D516 WeakPolarHBondContact CD-OD1 3.4Å; K161-D516 WeakPolarHBondContact CE-OD1 3.42Å; K161-D516 IonicContact NZ-OD1 2.7Å; K161-D516 PolarHBondContact NZ-OD1 3.16Å; K161-D516 IonicContact NZ-OD2 2.78Å; K161-D516 PolarHBondContact NZ-OD2 3.11Å; L164-D516 HydrophobicContact CD1-CB 3.76Å; L164-D516 WeakPolarHBondContact CD1-OD1 3.45Å; L512-D516 PolarHBondContact O-N 3.44Å; Y513-D516 WeakPolarHBondContact O-CB 3.29Å; Y513-D516 PolarHBondContact O-N 2.76Å; Y513-D516 VanDerWaalsContact O-N 3.13Å; Q514-D516 VanDerWaalsContact C-N 3.26Å; Q514-D516 PolarHBondContact O-N 3.24Å; D516-L519 WeakPolarHBondContact O-CD2 3.16Å
517Q93.7Very high96.2Very high92 Ų9230.5 Ų30.543%0.4315%0.149SC..Hα-helixtrans-66.3-48.3178.2-68-59.3-64.600111.4Y513 Q514Y513-Q517 HydrophobicContact CD1-CG 4.28Å; Y513-Q517 HydrophobicContact CE1-CG 3.9Å; Y513-Q517 HydrophobicContact CE2-CG 4.36Å; Y513-Q517 WeakPolarHBondContact O-CG 3.28Å; Y513-Q517 PolarHBondContact O-N 3.3Å; Q514-Q517 PolarHBondContact O-N 3.01Å
518D95.8Very high96.4Very high78 Ų7828 Ų2842%0.41714%0.139SC..Hα-helixtrans-85-15.6-175.4-63.8-12.6000112.6Q514 Q520 H523Q514-D518 WeakPolarHBondContact O-CB 3.34Å; Q514-D518 PolarHBondContact O-N 3.26Å; D518-Q520 HydrophobicContact CB-CB 4.03Å; D518-Q520 HydrophobicContact CB-CG 3.71Å; D518-Q520 WeakPolarHBondContact O-CG 3.45Å; D518-Q520 PolarHBondContact O-N 3.22Å; D518-H523 IonicContact OD2-CD2 2.7Å; D518-H523 IonicContact OD2-CE1 2.67Å; D518-H523 IonicContact OD2-NE2 2.94Å; D518-H523 PolarHBondContact OD2-NE2 3.36Å
519L97.1Very high96.5Very high9 Ų928.1 Ų28.15%0.04714%0.14CC..THydrogen-bonded Turntrans52.538-167.1-59.2175.4000112.1I157 I346 V378 S515 D516I157-L519 HydrophobicContact CD1-CB 4.41Å; I157-L519 HydrophobicContact CG2-CD2 4.27Å; I346-L519 HydrophobicContact CD1-CD1 4.21Å; I346-L519 HydrophobicContact CD1-CD2 4.44Å; V378-L519 HydrophobicContact CG2-CB 4.22Å; V378-L519 HydrophobicContact CG2-CD1 3.55Å; S515-L519 WeakPolarHBondContact O-CA 3.26Å; S515-L519 PolarHBondContact O-N 3.34Å; D516-L519 WeakPolarHBondContact O-CD2 3.16Å
520Q97.1Very high96.6Very high28 Ų2830.1 Ų30.113%0.13115%0.149CC..  trans-114.3124.4-176.4-66.6-72.1-46.800111.9L444 S515 D518 K522L444-Q520 VanDerWaalsContact N-OE1 3.15Å; S515-Q520 PolarHBondContact O-N 2.95Å; S515-Q520 PolarHBondContact OG-O 3.47Å; D518-Q520 HydrophobicContact CB-CB 4.03Å; D518-Q520 HydrophobicContact CB-CG 3.71Å; D518-Q520 WeakPolarHBondContact O-CG 3.45Å; D518-Q520 PolarHBondContact O-N 3.22Å; Q520-K522 HydrophobicContact CB-CG 4.23Å
521P97.8Very high96.8Very high0 Ų028.9 Ų28.90%014%0.143CC..THydrogen-bonded Turntrans-76.1-20.9177.528.6-33.3000113.7F156 F440 L444 H523 L524 V525 L573F156-P521 HydrophobicContact CD1-CB 3.78Å; F156-P521 HydrophobicContact CD1-CG 4.16Å; F156-P521 HydrophobicContact CD2-CB 4.04Å; F156-P521 HydrophobicContact CE1-CB 3.72Å; F156-P521 HydrophobicContact CE1-CG 4.2Å; F156-P521 HydrophobicContact CE2-CB 3.96Å; F156-P521 HydrophobicContact CG-CB 3.95Å; F156-P521 VanDerWaalsContact CZ-CA 3.47Å; F156-P521 HydrophobicContact CZ-CB 3.81Å; F440-P521 HydrophobicContact CB-CB 3.85Å; F440-P521 HydrophobicContact CB-CG 3.77Å; F440-P521 HydrophobicContact CD1-CB 4.04Å; F440-P521 HydrophobicContact CD1-CG 3.4Å; F440-P521 VanDerWaalsContact CD1-CG 3.4Å; F440-P521 HydrophobicContact CD2-CB 3.51Å; F440-P521 HydrophobicContact CD2-CG 3.87Å; F440-P521 HydrophobicContact CE1-CB 4.42Å; F440-P521 HydrophobicContact CE1-CG 3.84Å; F440-P521 HydrophobicContact CE2-CB 3.92Å; F440-P521 HydrophobicContact CE2-CG 4.24Å; F440-P521 HydrophobicContact CG-CB 3.54Å; F440-P521 HydrophobicContact CG-CG 3.4Å; F440-P521 VanDerWaalsContact CG-CG 3.4Å; F440-P521 HydrophobicContact CZ-CB 4.35Å; F440-P521 HydrophobicContact CZ-CG 4.22Å; L444-P521 HydrophobicContact CD2-CG 3.89Å; P521-H523 PolarHBondContact O-N 3.45Å; P521-H523 VanDerWaalsContact O-N 3.11Å; P521-L524 PolarHBondContact O-N 3.22Å; P521-L524 VanDerWaalsContact O-N 3.1Å; P521-V525 PolarHBondContact O-N 3.38Å; P521-L573 HydrophobicContact CB-CD2 3.98Å
522K97.4Very high96.9Very high62 Ų6228.6 Ų28.627%0.2714%0.141SC..Hα-helixtrans-55.2-32.5-177.274.9-173.6178.1-179.40114.3F440 Q520 S526F440-K522 WeakPolarHBondContact O-CA 3.33Å; F440-K522 VanDerWaalsContact O-CB 3.29Å; F440-K522 WeakPolarHBondContact O-CB 3.43Å; F440-K522 PolarHBondContact O-N 3.49Å; Q520-K522 HydrophobicContact CB-CG 4.23Å; K522-S526 VanDerWaalsContact O-CB 3.26Å; K522-S526 WeakPolarHBondContact O-CB 3.44Å; K522-S526 PolarHBondContact O-N 2.73Å
523H97.8Very high96.8Very high31 Ų3134.2 Ų34.214%0.14416%0.162CC..Hα-helixtrans-65.7-47.8-179.6-57.3-50.8000110.3V511 D518 P521 S526 F527V511-H523 HydrophobicContact CG1-CB 4.24Å; D518-H523 IonicContact OD2-CD2 2.7Å; D518-H523 IonicContact OD2-CE1 2.67Å; D518-H523 IonicContact OD2-NE2 2.94Å; D518-H523 PolarHBondContact OD2-NE2 3.36Å; P521-H523 PolarHBondContact O-N 3.45Å; P521-H523 VanDerWaalsContact O-N 3.11Å; H523-S526 PolarHBondContact O-N 2.84Å; H523-F527 WeakPolarHBondContact O-CB 3.33Å; H523-F527 PolarHBondContact O-N 2.89Å
524L98.3Very high96.9Very high0 Ų032.4 Ų32.40%016%0.156CC..Hα-helixtrans-67.1-42.6176.5-176.356.6000111.7F156 Y508 V511 L512 P521 S526 F527 L528 I572 L573F156-L524 HydrophobicContact CE2-CD2 4.48Å; Y508-L524 HydrophobicContact CE2-CD1 3.81Å; V511-L524 HydrophobicContact CG1-CB 4.3Å; V511-L524 HydrophobicContact CG1-CD1 4.32Å; L512-L524 HydrophobicContact CD2-CD1 4.28Å; L512-L524 HydrophobicContact CD2-CD2 4.33Å; P521-L524 PolarHBondContact O-N 3.22Å; P521-L524 VanDerWaalsContact O-N 3.1Å; L524-S526 PolarHBondContact O-N 3.46Å; L524-F527 HydrophobicContact CD1-CD1 4.47Å; L524-F527 WeakPolarHBondContact O-CB 3.49Å; L524-F527 PolarHBondContact O-N 3.18Å; L524-L528 HydrophobicContact CD1-CD1 4.18Å; L524-L528 HydrophobicContact CD1-CD2 4.37Å; L524-L528 HydrophobicContact CD1-CG 4.05Å; L524-L528 HydrophobicContact CG-CD1 4.09Å; L524-L528 HydrophobicContact CG-CG 4.38Å; L524-L528 VanDerWaalsContact O-CG 3.29Å; L524-L528 WeakPolarHBondContact O-CG 3.27Å; L524-L528 PolarHBondContact O-N 2.94Å; L524-I572 HydrophobicContact CD2-CB 3.94Å; L524-I572 HydrophobicContact CD2-CG2 3.59Å; L524-L573 HydrophobicContact CB-CD2 4.18Å; L524-L573 HydrophobicContact CD2-CD2 3.82Å; L524-L573 HydrophobicContact CD2-CG 3.91Å; L524-L573 HydrophobicContact CG-CD2 4.09Å; L524-L573 HydrophobicContact CG-CG 4.21Å
525V98.3Very high96.9Very high2 Ų228.4 Ų28.41%0.01214%0.138CC..Hα-helixtrans-57.1-50174.7169.40000111.6V437 F440 P521 F527 L528 L529 L573V437-V525 HydrophobicContact CG1-CG1 4.02Å; F440-V525 HydrophobicContact CB-CG2 3.64Å; P521-V525 PolarHBondContact O-N 3.38Å; V525-F527 VanDerWaalsContact C-N 3.29Å; V525-F527 PolarHBondContact O-N 3.14Å; V525-L528 PolarHBondContact O-N 3.05Å; V525-L529 HydrophobicContact CG1-CD1 3.69Å; V525-L529 HydrophobicContact CG1-CG 4.33Å; V525-L529 WeakPolarHBondContact O-CB 3.49Å; V525-L529 WeakPolarHBondContact O-CG 3.5Å; V525-L529 PolarHBondContact O-N 3.41Å; V525-L573 HydrophobicContact CG2-CD1 3.71Å; V525-L573 HydrophobicContact CG2-CD2 4.03Å
526S97.6Very high96.8Very high77 Ų7730.4 Ų30.454%0.53815%0.154SC..Hα-helixtrans-59.6-41.1178.5-1780000111.9K522 H523 L524 K530K522-S526 VanDerWaalsContact O-CB 3.26Å; K522-S526 WeakPolarHBondContact O-CB 3.44Å; K522-S526 PolarHBondContact O-N 2.73Å; H523-S526 PolarHBondContact O-N 2.84Å; L524-S526 PolarHBondContact O-N 3.46Å; S526-K530 VanDerWaalsContact O-CB 3.27Å; S526-K530 WeakPolarHBondContact O-CB 3.36Å; S526-K530 PolarHBondContact O-N 3.05Å
527F97.9Very high96.7Very high6 Ų631.6 Ų31.63%0.02616%0.163CC..Hα-helixtrans-61.3-49.7175.1174.7-87.9000112.5H504 R507 Y508 V511 H523 L524 V525 K530 L531 V565H504-F527 AromaticContact CD2-CE2 3.67Å; H504-F527 AromaticContact CD2-CZ 3.89Å; H504-F527 AromaticContact CE1-CD2 3.49Å; H504-F527 VanDerWaalsContact CE1-CD2 3.49Å; H504-F527 WeakPolarHBondContact CE1-CD2 3.43Å; H504-F527 AromaticContact CE1-CE2 3.8Å; H504-F527 AromaticContact NE2-CD2 3.29Å; H504-F527 VanDerWaalsContact NE2-CD2 3.29Å; H504-F527 WeakPolarHBondContact NE2-CD2 3.28Å; H504-F527 AromaticContact NE2-CE2 3.4Å; H504-F527 WeakPolarHBondContact NE2-CE2 3.49Å; H504-F527 AromaticContact NE2-CG 3.7Å; H504-F527 AromaticContact NE2-CZ 3.85Å; H504-F527 PolarHBondContact NE2-O 3.46Å; H504-F527 WeakPolarHBondContact O-CE2 3.39Å; R507-F527 HydrophobicContact CB-CE2 4.19Å; Y508-F527 AromaticContact CD2-CD1 3.93Å; Y508-F527 HydrophobicContact CD2-CD1 3.93Å; Y508-F527 AromaticContact CD2-CE1 3.39Å; Y508-F527 HydrophobicContact CD2-CE1 3.39Å; Y508-F527 HydrophobicContact CD2-CE2 4.42Å; Y508-F527 AromaticContact CD2-CZ 3.68Å; Y508-F527 HydrophobicContact CD2-CZ 3.68Å; Y508-F527 HydrophobicContact CE2-CD1 4.38Å; Y508-F527 HydrophobicContact CE2-CE1 4.04Å; Y508-F527 HydrophobicContact CG-CE1 4.22Å; Y508-F527 HydrophobicContact CG-CZ 4.11Å; V511-F527 HydrophobicContact CB-CB 4.49Å; V511-F527 HydrophobicContact CB-CD2 4.41Å; V511-F527 HydrophobicContact CG1-CB 3.88Å; V511-F527 HydrophobicContact CG1-CG 4.3Å; V511-F527 HydrophobicContact CG2-CB 4.13Å; V511-F527 HydrophobicContact CG2-CD2 3.79Å; V511-F527 HydrophobicContact CG2-CG 4.21Å; H523-F527 WeakPolarHBondContact O-CB 3.33Å; H523-F527 PolarHBondContact O-N 2.89Å; L524-F527 HydrophobicContact CD1-CD1 4.47Å; L524-F527 WeakPolarHBondContact O-CB 3.49Å; L524-F527 PolarHBondContact O-N 3.18Å; V525-F527 VanDerWaalsContact C-N 3.29Å; V525-F527 PolarHBondContact O-N 3.14Å; F527-K530 PolarHBondContact O-N 3.12Å; F527-L531 HydrophobicContact CE1-CD2 4.27Å; F527-L531 WeakPolarHBondContact O-CB 3.38Å; F527-L531 PolarHBondContact O-N 2.79Å; F527-V565 HydrophobicContact CE1-CG1 3.86Å; F527-V565 HydrophobicContact CZ-CG1 4.28Å
528L98.3Very high96.8Very high0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-68.5-39-176.5-65176.7000112.3L466 L524 V525 K530 L531 S532 L566 M570 L573L466-L528 HydrophobicContact CD1-CB 4.32Å; L466-L528 HydrophobicContact CD2-CB 3.93Å; L524-L528 HydrophobicContact CD1-CD1 4.18Å; L524-L528 HydrophobicContact CD1-CD2 4.37Å; L524-L528 HydrophobicContact CD1-CG 4.05Å; L524-L528 HydrophobicContact CG-CD1 4.09Å; L524-L528 HydrophobicContact CG-CG 4.38Å; L524-L528 VanDerWaalsContact O-CG 3.29Å; L524-L528 WeakPolarHBondContact O-CG 3.27Å; L524-L528 PolarHBondContact O-N 2.94Å; V525-L528 PolarHBondContact O-N 3.05Å; L528-K530 VanDerWaalsContact C-N 3.34Å; L528-L531 PolarHBondContact O-N 3.13Å; L528-S532 WeakPolarHBondContact O-CB 3.46Å; L528-S532 PolarHBondContact O-N 3.29Å; L528-S532 PolarHBondContact O-OG 3.4Å; L528-L566 HydrophobicContact CB-CD1 4.13Å; L528-L566 HydrophobicContact CD2-CD1 4.02Å; L528-M570 HydrophobicContact CD1-CG 4.37Å; L528-L573 HydrophobicContact CD1-CD1 3.76Å
529L97.7Very high96.6Very high5 Ų525.9 Ų25.93%0.02613%0.134CC..Hα-helixtrans-63.7-41.7174.3-73.6171.2000111.2D461 F465 L466 V525 S532 R533D461-L529 HydrophobicContact CB-CD1 3.73Å; D461-L529 HydrophobicContact CB-CD2 4.34Å; F465-L529 HydrophobicContact CD1-CD2 4.14Å; L466-L529 HydrophobicContact CD2-CD2 3.74Å; L466-L529 HydrophobicContact CD2-CG 4.14Å; L466-L529 HydrophobicContact CG-CD2 4.08Å; V525-L529 HydrophobicContact CG1-CD1 3.69Å; V525-L529 HydrophobicContact CG1-CG 4.33Å; V525-L529 WeakPolarHBondContact O-CB 3.49Å; V525-L529 WeakPolarHBondContact O-CG 3.5Å; V525-L529 PolarHBondContact O-N 3.41Å; L529-S532 PolarHBondContact O-N 3.44Å; L529-R533 WeakPolarHBondContact O-CG 3.36Å; L529-R533 PolarHBondContact O-N 2.7Å; L529-R533 VanDerWaalsContact O-N 3.11Å
530K96.5Very high96.3Very high48 Ų4834.6 Ų34.621%0.20917%0.166CC..Hα-helixtrans-67-42.2176.4-172.4171179.3-178.50112V33 S526 F527 L528 S532 R533 F534V33-K530 WeakPolarHBondContact O-CE 3.33Å; V33-K530 PolarHBondContact O-NZ 3.46Å; S526-K530 VanDerWaalsContact O-CB 3.27Å; S526-K530 WeakPolarHBondContact O-CB 3.36Å; S526-K530 PolarHBondContact O-N 3.05Å; F527-K530 PolarHBondContact O-N 3.12Å; L528-K530 VanDerWaalsContact C-N 3.34Å; K530-S532 VanDerWaalsContact C-N 3.29Å; K530-S532 PolarHBondContact O-N 3.18Å; K530-R533 PolarHBondContact O-N 2.81Å; K530-F534 HydrophobicContact CD-CE2 4.12Å; K530-F534 HydrophobicContact CD-CZ 4.35Å; K530-F534 VanDerWaalsContact CE-CZ 3.43Å; K530-F534 HydrophobicContact CG-CD2 4.2Å; K530-F534 HydrophobicContact CG-CE2 3.63Å; K530-F534 HydrophobicContact CG-CZ 4.02Å; K530-F534 WeakPolarHBondContact O-CD2 3.32Å; K530-F534 PolarHBondContact O-N 3.16Å; K530-F534 VanDerWaalsContact O-N 3.1Å
531L97.4Very high96.2Very high1 Ų138.2 Ų38.21%0.00518%0.183CC..Hα-helixtrans-57.2-45.3172.9178.658.2000110.6I501 H504 L505 F527 L528 R533 F534 V535 A562 V565I501-L531 HydrophobicContact CG2-CD1 4.29Å; H504-L531 PolarHBondContact NE2-N 3.13Å; L505-L531 HydrophobicContact CD2-CD1 4.1Å; L505-L531 HydrophobicContact CD2-CD2 4.18Å; F527-L531 HydrophobicContact CE1-CD2 4.27Å; F527-L531 WeakPolarHBondContact O-CB 3.38Å; F527-L531 PolarHBondContact O-N 2.79Å; L528-L531 PolarHBondContact O-N 3.13Å; L531-R533 VanDerWaalsContact C-N 3.31Å; L531-R533 PolarHBondContact O-N 3.21Å; L531-F534 PolarHBondContact O-N 3.08Å; L531-F534 VanDerWaalsContact O-N 3.1Å; L531-V535 HydrophobicContact CD1-CG2 4.3Å; L531-V535 HydrophobicContact CG-CG2 4.48Å; L531-V535 WeakPolarHBondContact O-CG2 3.02Å; L531-V535 PolarHBondContact O-N 3.45Å; L531-A562 HydrophobicContact CD1-CB 4.28Å; L531-V565 HydrophobicContact CD2-CB 4.43Å; L531-V565 HydrophobicContact CD2-CG1 4.09Å
532S97.1Very high96Very high0 Ų038.5 Ų38.50%018%0.184CC..Hα-helixtrans-61.3-37.9-179.8-62.20000112.8L466 T469 L528 L529 K530 V535 A536L466-S532 WeakPolarHBondContact CD2-OG 3.48Å; T469-S532 WeakPolarHBondContact OG1-CB 3.4Å; L528-S532 WeakPolarHBondContact O-CB 3.46Å; L528-S532 PolarHBondContact O-N 3.29Å; L528-S532 PolarHBondContact O-OG 3.4Å; L529-S532 PolarHBondContact O-N 3.44Å; K530-S532 VanDerWaalsContact C-N 3.29Å; K530-S532 PolarHBondContact O-N 3.18Å; S532-V535 PolarHBondContact O-N 3.22Å; S532-A536 WeakPolarHBondContact O-CB 3.19Å; S532-A536 PolarHBondContact O-N 2.74Å
533R95.6Very high95.8Very high119 Ų11938.7 Ų38.745%0.44919%0.192SC..Hα-helixtrans-66.2-40.8173-67.5168.4178.9154.5-17.9112.7D461 F465 L529 K530 L531 A536 S537D461-R533 IonicContact OD1-CZ 3.82Å; D461-R533 IonicContact OD1-NE 2.74Å; D461-R533 PolarHBondContact OD1-NE 3.26Å; D461-R533 IonicContact OD1-NH1 3.32Å; D461-R533 IonicContact OD1-NH2 3.03Å; D461-R533 PolarHBondContact OD1-NH2 3.41Å; D461-R533 IonicContact OD2-CZ 3.28Å; D461-R533 IonicContact OD2-NH1 3.44Å; D461-R533 IonicContact OD2-NH2 3.91Å; D461-R533 PolarHBondContact OD2-NH2 2.77Å; F465-R533 HydrophobicContact CE1-CG 4Å; F465-R533 HydrophobicContact CZ-CG 4.29Å; L529-R533 WeakPolarHBondContact O-CG 3.36Å; L529-R533 PolarHBondContact O-N 2.7Å; L529-R533 VanDerWaalsContact O-N 3.11Å; K530-R533 PolarHBondContact O-N 2.81Å; L531-R533 VanDerWaalsContact C-N 3.31Å; L531-R533 PolarHBondContact O-N 3.21Å; R533-A536 PolarHBondContact O-N 2.86Å; R533-S537 PolarHBondContact O-N 2.89Å
534F95.7Very high95.5Very high28 Ų2837.7 Ų37.712%0.12319%0.188CC..Hα-helixtrans-64.1-44.1175.7-68.1-42.6000111.4V33 D500 I501 H504 K530 L531 A536 S537 A538V33-F534 HydrophobicContact CB-CE2 4.08Å; V33-F534 HydrophobicContact CB-CZ 3.66Å; V33-F534 HydrophobicContact CG1-CE1 3.95Å; V33-F534 HydrophobicContact CG1-CE2 4.25Å; V33-F534 HydrophobicContact CG1-CZ 3.48Å; V33-F534 VanDerWaalsContact CG1-CZ 3.48Å; V33-F534 HydrophobicContact CG2-CE2 4.38Å; V33-F534 HydrophobicContact CG2-CZ 4.38Å; D500-F534 HydrophobicContact CB-CD1 4.14Å; D500-F534 HydrophobicContact CB-CE1 4.28Å; D500-F534 HydrophobicContact CB-CG 4.48Å; I501-F534 HydrophobicContact CG1-CB 3.79Å; H504-F534 HydrophobicContact CB-CD2 3.84Å; H504-F534 HydrophobicContact CB-CE2 3.78Å; H504-F534 AromaticContact CG-CD2 3.88Å; H504-F534 AromaticContact CG-CE2 3.74Å; H504-F534 AromaticContact ND1-CE2 3.84Å; K530-F534 HydrophobicContact CD-CE2 4.12Å; K530-F534 HydrophobicContact CD-CZ 4.35Å; K530-F534 VanDerWaalsContact CE-CZ 3.43Å; K530-F534 HydrophobicContact CG-CD2 4.2Å; K530-F534 HydrophobicContact CG-CE2 3.63Å; K530-F534 HydrophobicContact CG-CZ 4.02Å; K530-F534 WeakPolarHBondContact O-CD2 3.32Å; K530-F534 PolarHBondContact O-N 3.16Å; K530-F534 VanDerWaalsContact O-N 3.1Å; L531-F534 PolarHBondContact O-N 3.08Å; L531-F534 VanDerWaalsContact O-N 3.1Å; F534-A536 VanDerWaalsContact C-N 3.34Å; F534-A536 PolarHBondContact O-N 3.38Å; F534-S537 PolarHBondContact O-N 3.17Å; F534-A538 WeakPolarHBondContact O-CB 3.43Å; F534-A538 PolarHBondContact O-N 2.89Å
535V96.4Very high95Very high5 Ų546.9 Ų46.93%0.0323%0.228CC..Hα-helixtrans-58.5-45.4173.3169.40000111.3T469 L473 I501 L531 S532 S537 A538 H539 A562T469-V535 HydrophobicContact CG2-CB 4.04Å; T469-V535 HydrophobicContact CG2-CG1 3.75Å; L473-V535 HydrophobicContact CD1-CG1 3.97Å; L473-V535 HydrophobicContact CD1-CG2 4.36Å; L473-V535 HydrophobicContact CD2-CG1 3.73Å; L473-V535 HydrophobicContact CG-CG1 3.98Å; I501-V535 HydrophobicContact CD1-CG2 4.24Å; L531-V535 HydrophobicContact CD1-CG2 4.3Å; L531-V535 HydrophobicContact CG-CG2 4.48Å; L531-V535 WeakPolarHBondContact O-CG2 3.02Å; L531-V535 PolarHBondContact O-N 3.45Å; S532-V535 PolarHBondContact O-N 3.22Å; V535-S537 VanDerWaalsContact C-N 3.31Å; V535-S537 PolarHBondContact O-N 3.33Å; V535-A538 PolarHBondContact O-N 3.1Å; V535-H539 VanDerWaalsContact O-CB 3.28Å; V535-H539 WeakPolarHBondContact O-CB 3.21Å; V535-H539 PolarHBondContact O-N 2.92Å; V535-A562 HydrophobicContact CG2-CB 3.74Å
536A93.8Very high94.6Very high41 Ų4150.8 Ų50.834%0.33927%0.268SS..Hα-helixtrans-61.6-37.417900000112.5S532 R533 F534S532-A536 WeakPolarHBondContact O-CB 3.19Å; S532-A536 PolarHBondContact O-N 2.74Å; R533-A536 PolarHBondContact O-N 2.86Å; F534-A536 VanDerWaalsContact C-N 3.34Å; F534-A536 PolarHBondContact O-N 3.38Å
537S93.7Very high94.3Very high32 Ų3248.3 Ų48.322%0.22425%0.251CS..Hα-helixtrans-69.4-51.1173.4-146.40000111.4R533 F534 V535 H539 R540 E541R533-S537 PolarHBondContact O-N 2.89Å; F534-S537 PolarHBondContact O-N 3.17Å; V535-S537 VanDerWaalsContact C-N 3.31Å; V535-S537 PolarHBondContact O-N 3.33Å; S537-H539 VanDerWaalsContact C-N 3.31Å; S537-H539 PolarHBondContact O-N 3.3Å; S537-R540 PolarHBondContact O-N 2.81Å; S537-E541 PolarHBondContact O-N 3.36Å; S537-E541 PolarHBondContact OG-OE1 2.86Å
538A94.7Very high94.1Very high0 Ų051.6 Ų51.60%027%0.273CS..Hα-helixtrans-59.9-38.5-178.700000112.4I501 F534 V535 R540 E541 L542 F559I501-A538 HydrophobicContact CD1-CB 3.49Å; I501-A538 VanDerWaalsContact CD1-CB 3.49Å; F534-A538 WeakPolarHBondContact O-CB 3.43Å; F534-A538 PolarHBondContact O-N 2.89Å; V535-A538 PolarHBondContact O-N 3.1Å; A538-R540 PolarHBondContact O-N 3.17Å; A538-E541 PolarHBondContact O-N 3.36Å; A538-L542 HydrophobicContact CB-CD1 4.1Å; A538-L542 WeakPolarHBondContact O-CA 3.48Å; A538-L542 VanDerWaalsContact O-CB 3.24Å; A538-L542 WeakPolarHBondContact O-CB 3.41Å; A538-L542 PolarHBondContact O-N 2.83Å; A538-F559 HydrophobicContact CB-CE1 3.95Å; A538-F559 HydrophobicContact CB-CZ 4.05Å
539H92Very high93.7Very high50 Ų5056.2 Ų56.223%0.23130%0.303CS..Hα-helixtrans-62.7-28177.5-172-54.2000112.4R472 V535 S537 F559R472-H539 PolarHBondContact NE-CD2 3.16Å; R472-H539 PolarHBondContact NE-CE1 2.81Å; R472-H539 PolarHBondContact NE-NE2 2.73Å; R472-H539 PolarHBondContact NH2-CE1 2.94Å; R472-H539 PolarHBondContact NH2-ND1 3.28Å; V535-H539 VanDerWaalsContact O-CB 3.28Å; V535-H539 WeakPolarHBondContact O-CB 3.21Å; V535-H539 PolarHBondContact O-N 2.92Å; S537-H539 VanDerWaalsContact C-N 3.31Å; S537-H539 PolarHBondContact O-N 3.3Å; H539-F559 HydrophobicContact CB-CE1 4.45Å; H539-F559 HydrophobicContact CB-CZ 4.45Å
540R91.3Very high93.3Very high192 Ų19259.1 Ų59.173%0.72532%0.318SS*.Hα-helixtrans-80.5-36.2175.9-67.1-175.9-62.6-174.83.7112.2S537 A538S537-R540 PolarHBondContact O-N 2.81Å; A538-R540 PolarHBondContact O-N 3.17Å
541E93.8Very high93.1Very high104 Ų10458 Ų5849%0.48632%0.315SS..Hα-helixtrans-93.7-24.6-171.9-67.9171.3-136.700113.8T497 S537 A538 P543T497-E541 WeakPolarHBondContact CG2-OE2 3.41Å; T497-E541 PolarHBondContact OG1-OE2 3.38Å; S537-E541 PolarHBondContact O-N 3.36Å; S537-E541 PolarHBondContact OG-OE1 2.86Å; A538-E541 PolarHBondContact O-N 3.36Å; E541-P543 VanDerWaalsContact C-CD 3.46Å; E541-P543 WeakPolarHBondContact O-CD 3.46Å
542L94.3Very high92.9Very high5 Ų558.1 Ų58.13%0.02632%0.316CS..SBendtrans-115.274.6-175.2-52.2-177.1000110.4E495 A538 V544 R555 F559E495-L542 HydrophobicContact CB-CD2 3.7Å; E495-L542 HydrophobicContact CG-CD2 3.82Å; A538-L542 HydrophobicContact CB-CD1 4.1Å; A538-L542 WeakPolarHBondContact O-CA 3.48Å; A538-L542 VanDerWaalsContact O-CB 3.24Å; A538-L542 WeakPolarHBondContact O-CB 3.41Å; A538-L542 PolarHBondContact O-N 2.83Å; L542-V544 PolarHBondContact O-N 3.01Å; L542-R555 HydrophobicContact CB-CG 4.29Å; L542-F559 HydrophobicContact CB-CZ 4.45Å
543P92.9Very high92.5Very high67 Ų6760.6 Ų60.644%0.43533%0.328SS..  trans-63.5132.4-18026.4-34.2000110.9E541 S547 R555E541-P543 VanDerWaalsContact C-CD 3.46Å; E541-P543 WeakPolarHBondContact O-CD 3.46Å; P543-S547 PolarHBondContact O-OG 3.12Å; P543-R555 PolarHBondContact O-NH1 3.44Å
544V91.7Very high92.4Very high9 Ų954.9 Ų54.96%0.05531%0.307CS..  trans-82.6-49170.2175.90000109.9L476 L542 G546 S547 A552 R555 L556 F559L476-V544 HydrophobicContact CD1-CB 4.29Å; L476-V544 HydrophobicContact CD1-CG2 4.14Å; L476-V544 HydrophobicContact CD2-CG2 4.32Å; L542-V544 PolarHBondContact O-N 3.01Å; V544-G546 PolarHBondContact O-N 2.9Å; V544-S547 PolarHBondContact O-N 3.04Å; V544-A552 HydrophobicContact CG1-CB 4.14Å; V544-R555 HydrophobicContact CG2-CB 4.12Å; V544-L556 HydrophobicContact CG1-CD1 3.82Å; V544-L556 HydrophobicContact CG1-CD2 3.82Å; V544-L556 HydrophobicContact CG1-CG 3.59Å; V544-L556 HydrophobicContact CG2-CD2 4.1Å; V544-L556 HydrophobicContact CG2-CG 4.13Å; V544-F559 HydrophobicContact CG2-CD2 4.22Å; V544-F559 HydrophobicContact CG2-CE2 4.24Å
545K89.3Confident92.3Very high194 Ų19454.8 Ų54.884%0.84331%0.305SS*.THydrogen-bonded Turntrans-65.3130.6179.4-172.8-179.5-179.8-179.10110.4S547K545-S547 PolarHBondContact O-N 3.32Å
546G88.4Confident92.1Very high83 Ų8355.4 Ų55.486%0.85631%0.308SS*.THydrogen-bonded Turntrans79.90.3178.200000114.7V544V544-G546 PolarHBondContact O-N 2.9Å
547S92.2Very high92Very high26 Ų2654.1 Ų54.118%0.18230%0.295CS..SBendtrans-80.5157.2171.1-69.70000111.4P543 V544 K545 R555P543-S547 PolarHBondContact O-OG 3.12Å; V544-S547 PolarHBondContact O-N 3.04Å; K545-S547 PolarHBondContact O-N 3.32Å; S547-R555 PolarHBondContact OG-NH1 3.4Å
548P92.8Very high92Very high75 Ų7552.6 Ų52.649%0.48728%0.284SS..  trans-51.7146.5167.8-27.636.8000111.8D550 V551 A552P548-D550 VanDerWaalsContact C-N 3.33Å; P548-D550 VanDerWaalsContact CB-OD1 3.26Å; P548-D550 WeakPolarHBondContact CB-OD1 3.48Å; P548-D550 PolarHBondContact O-N 2.87Å; P548-V551 HydrophobicContact CB-CB 4.43Å; P548-V551 HydrophobicContact CB-CG2 4.24Å; P548-V551 HydrophobicContact CG-CG2 4.41Å; P548-V551 PolarHBondContact O-N 3.15Å; P548-V551 VanDerWaalsContact O-N 3.16Å; P548-A552 WeakPolarHBondContact O-CB 3.28Å; P548-A552 PolarHBondContact O-N 3.2Å
549P90Very high92Very high96 Ų9652.6 Ų52.662%0.62328%0.284SS*.Hα-helixtrans-54.7-42.2-173.5-29.135.7000114.8A552 Q553P549-A552 PolarHBondContact O-N 2.96Å; P549-Q553 WeakPolarHBondContact O-CB 3.48Å; P549-Q553 WeakPolarHBondContact O-CG 3.4Å; P549-Q553 PolarHBondContact O-N 2.74Å
550D90.5Very high92Very high66 Ų6651 Ų5135%0.35328%0.278SS..Hα-helixtrans-64.8-43.4178.660.7-26.7000112.5N489 P548 A554N489-D550 HydrophobicContact CB-CB 4.47Å; P548-D550 VanDerWaalsContact C-N 3.33Å; P548-D550 VanDerWaalsContact CB-OD1 3.26Å; P548-D550 WeakPolarHBondContact CB-OD1 3.48Å; P548-D550 PolarHBondContact O-N 2.87Å; D550-A554 WeakPolarHBondContact O-CB 3.29Å; D550-A554 PolarHBondContact O-N 3.43Å
551V92.6Very high92.2Very high25 Ų2541.8 Ų41.815%0.15224%0.244CC..Hα-helixtrans-66.6-43.2175.3177.60000110.9C492 P548 A554 R555C492-V551 HydrophobicContact CB-CG2 4.11Å; P548-V551 HydrophobicContact CB-CB 4.43Å; P548-V551 HydrophobicContact CB-CG2 4.24Å; P548-V551 HydrophobicContact CG-CG2 4.41Å; P548-V551 PolarHBondContact O-N 3.15Å; P548-V551 VanDerWaalsContact O-N 3.16Å; V551-A554 PolarHBondContact O-N 3.45Å; V551-R555 HydrophobicContact CG1-CG 4.46Å; V551-R555 WeakPolarHBondContact O-CB 3.47Å; V551-R555 VanDerWaalsContact O-CG 3.31Å; V551-R555 WeakPolarHBondContact O-CG 3.27Å; V551-R555 PolarHBondContact O-N 2.83Å
552A91.4Very high92.3Very high3 Ų336.9 Ų36.93%0.02522%0.221CC..Hα-helixtrans-61.6-46.5177.600000111.2M483 V544 P548 P549 R555 L556M483-A552 HydrophobicContact SD-CB 3.92Å; V544-A552 HydrophobicContact CG1-CB 4.14Å; P548-A552 WeakPolarHBondContact O-CB 3.28Å; P548-A552 PolarHBondContact O-N 3.2Å; P549-A552 PolarHBondContact O-N 2.96Å; A552-R555 PolarHBondContact O-N 3.45Å; A552-L556 WeakPolarHBondContact O-CB 3.42Å; A552-L556 VanDerWaalsContact O-CG 3.27Å; A552-L556 WeakPolarHBondContact O-CG 3.41Å; A552-L556 PolarHBondContact O-N 3.44Å
553Q90.5Very high92.4Very high52 Ų5237.9 Ų37.924%0.24322%0.224CC..Hα-helixtrans-60.2-45.1175.8-76.5170.5-14.500112.2M483 F488 P549 L556 R557M483-Q553 HydrophobicContact CG-CG 4.41Å; M483-Q553 HydrophobicContact SD-CG 4.41Å; F488-Q553 HydrophobicContact CB-CB 4.45Å; P549-Q553 WeakPolarHBondContact O-CB 3.48Å; P549-Q553 WeakPolarHBondContact O-CG 3.4Å; P549-Q553 PolarHBondContact O-N 2.74Å; Q553-L556 PolarHBondContact O-N 3.06Å; Q553-R557 PolarHBondContact O-N 2.86Å
554A92.2Very high92.5Very high0 Ų034.7 Ų34.70%020%0.203CC..Hα-helixtrans-63.6-45.2179.100000111.8F488 N489 C492 L493 D550 V551 R557 L558F488-A554 HydrophobicContact CD2-CB 3.88Å; N489-A554 WeakPolarHBondContact O-CB 3.4Å; C492-A554 HydrophobicContact CB-CB 3.81Å; L493-A554 HydrophobicContact CD1-CB 4.27Å; L493-A554 HydrophobicContact CD2-CB 4.16Å; L493-A554 HydrophobicContact CG-CB 3.87Å; D550-A554 WeakPolarHBondContact O-CB 3.29Å; D550-A554 PolarHBondContact O-N 3.43Å; V551-A554 PolarHBondContact O-N 3.45Å; A554-R557 WeakPolarHBondContact O-CB 3.17Å; A554-R557 PolarHBondContact O-N 2.87Å; A554-L558 PolarHBondContact O-N 3.21Å; A554-L558 VanDerWaalsContact O-N 3.12Å
555R93.6Very high92.7Very high25 Ų2534.3 Ų34.39%0.09420%0.201CC..Hα-helixtrans-64.2-42.3176-70.9172178.21724112L493 E495 L542 P543 V544 S547 V551 A552 R557 L558 F559L493-R555 HydrophobicContact CD2-CG 4.17Å; E495-R555 IonicContact OE1-CZ 2.74Å; E495-R555 IonicContact OE1-NE 3.2Å; E495-R555 IonicContact OE1-NH2 3.13Å; E495-R555 PolarHBondContact OE1-NH2 3.19Å; L542-R555 HydrophobicContact CB-CG 4.29Å; P543-R555 PolarHBondContact O-NH1 3.44Å; V544-R555 HydrophobicContact CG2-CB 4.12Å; S547-R555 PolarHBondContact OG-NH1 3.4Å; V551-R555 HydrophobicContact CG1-CG 4.46Å; V551-R555 WeakPolarHBondContact O-CB 3.47Å; V551-R555 VanDerWaalsContact O-CG 3.31Å; V551-R555 WeakPolarHBondContact O-CG 3.27Å; V551-R555 PolarHBondContact O-N 2.83Å; A552-R555 PolarHBondContact O-N 3.45Å; R555-R557 VanDerWaalsContact C-N 3.29Å; R555-R557 PolarHBondContact O-N 2.86Å; R555-L558 WeakPolarHBondContact O-CB 3.45Å; R555-L558 PolarHBondContact O-N 3.02Å; R555-F559 HydrophobicContact CB-CE2 4.37Å; R555-F559 WeakPolarHBondContact O-CD2 3.35Å; R555-F559 PolarHBondContact O-N 3.33Å
556L92.1Very high93.1Very high19 Ų1925.1 Ų25.110%0.09916%0.161CC..Hα-helixtrans-59.3-41.1175-79.9170.4000111.7L476 M477 N480 M483 V544 A552 Q553 F559 S560L476-L556 HydrophobicContact CG-CD2 4.23Å; M477-L556 HydrophobicContact CE-CD2 3.47Å; M477-L556 VanDerWaalsContact CE-CD2 3.47Å; M477-L556 HydrophobicContact SD-CD2 4.5Å; N480-L556 HydrophobicContact CB-CD1 3.7Å; N480-L556 HydrophobicContact CB-CD2 3.89Å; N480-L556 HydrophobicContact CB-CG 4.46Å; M483-L556 HydrophobicContact CB-CD1 4.25Å; M483-L556 HydrophobicContact CE-CD1 4.04Å; M483-L556 HydrophobicContact SD-CD1 3.73Å; V544-L556 HydrophobicContact CG1-CD1 3.82Å; V544-L556 HydrophobicContact CG1-CD2 3.82Å; V544-L556 HydrophobicContact CG1-CG 3.59Å; V544-L556 HydrophobicContact CG2-CD2 4.1Å; V544-L556 HydrophobicContact CG2-CG 4.13Å; A552-L556 WeakPolarHBondContact O-CB 3.42Å; A552-L556 VanDerWaalsContact O-CG 3.27Å; A552-L556 WeakPolarHBondContact O-CG 3.41Å; A552-L556 PolarHBondContact O-N 3.44Å; Q553-L556 PolarHBondContact O-N 3.06Å; L556-F559 PolarHBondContact O-N 3.14Å; L556-S560 WeakPolarHBondContact O-CB 3.43Å; L556-S560 PolarHBondContact O-N 3.16Å
557R91.4Very high93.5Very high13 Ų1321.1 Ų21.15%0.04912%0.12CC..Hα-helixtrans-59.9-48.1175-173.173.765.1-159.7-5111.9L104 F107 G108 A485 F488 Q553 A554 R555 F559 S560 A561L104-R557 HydrophobicContact CB-CG 3.6Å; L104-R557 HydrophobicContact CD1-CB 4.33Å; L104-R557 HydrophobicContact CD1-CG 3.87Å; L104-R557 HydrophobicContact CD2-CG 4.47Å; L104-R557 HydrophobicContact CG-CG 4.2Å; F107-R557 PolarHBondContact O-NH1 3.26Å; G108-R557 PolarHBondContact O-NH1 3.08Å; A485-R557 PolarHBondContact O-NH1 3.32Å; A485-R557 PolarHBondContact O-NH2 3.12Å; F488-R557 HydrophobicContact CD1-CG 4.16Å; F488-R557 HydrophobicContact CE1-CG 4.11Å; F488-R557 HydrophobicContact CG-CB 4.38Å; F488-R557 HydrophobicContact CZ-CG 4.41Å; Q553-R557 PolarHBondContact O-N 2.86Å; A554-R557 WeakPolarHBondContact O-CB 3.17Å; A554-R557 PolarHBondContact O-N 2.87Å; R555-R557 VanDerWaalsContact C-N 3.29Å; R555-R557 PolarHBondContact O-N 2.86Å; R557-F559 VanDerWaalsContact C-N 3.32Å; R557-F559 PolarHBondContact O-N 2.83Å; R557-S560 WeakPolarHBondContact O-CB 3.42Å; R557-S560 PolarHBondContact O-N 2.78Å; R557-A561 PolarHBondContact O-N 3.39Å
558L94.6Very high93.7Very high0 Ų020.4 Ų20.40%012%0.115CC..Hα-helixtrans-58-46.3178.6-179.368.6000111.3L104 L493 I501 L502 A554 R555 A561 A562L104-L558 HydrophobicContact CD1-CB 4.37Å; L104-L558 HydrophobicContact CD1-CD1 4.44Å; L104-L558 HydrophobicContact CD2-CD1 4.29Å; L493-L558 HydrophobicContact CD1-CB 4.26Å; L493-L558 HydrophobicContact CD2-CB 4.31Å; L493-L558 HydrophobicContact CD2-CD2 4.24Å; I501-L558 HydrophobicContact CB-CD1 4.04Å; I501-L558 HydrophobicContact CB-CD2 4.35Å; I501-L558 HydrophobicContact CB-CG 4.4Å; I501-L558 HydrophobicContact CD1-CD2 4.16Å; I501-L558 HydrophobicContact CD1-CG 4.49Å; I501-L558 HydrophobicContact CG2-CD1 3.64Å; I501-L558 HydrophobicContact CG2-CG 4.08Å; L502-L558 HydrophobicContact CD2-CD1 3.59Å; L502-L558 HydrophobicContact CG-CD1 3.79Å; A554-L558 PolarHBondContact O-N 3.21Å; A554-L558 VanDerWaalsContact O-N 3.12Å; R555-L558 WeakPolarHBondContact O-CB 3.45Å; R555-L558 PolarHBondContact O-N 3.02Å; L558-A561 PolarHBondContact O-N 2.95Å; L558-A562 PolarHBondContact O-N 2.98Å
559F94.8Very high93.9Very high1 Ų116.8 Ų16.80%0.0049%0.092CC..Hα-helixtrans-67.4-35178.2-73.2-53.4000112.9L473 L476 M477 A538 H539 L542 V544 R555 L556 R557 A562 R563L473-F559 HydrophobicContact CD2-CB 3.89Å; L473-F559 HydrophobicContact CD2-CD1 3.65Å; L473-F559 HydrophobicContact CD2-CG 4.05Å; L476-F559 HydrophobicContact CD2-CB 3.91Å; L476-F559 HydrophobicContact CD2-CD1 4.49Å; L476-F559 HydrophobicContact CD2-CD2 3.52Å; L476-F559 HydrophobicContact CD2-CE2 4.16Å; L476-F559 HydrophobicContact CD2-CG 3.73Å; M477-F559 HydrophobicContact CE-CB 4.02Å; A538-F559 HydrophobicContact CB-CE1 3.95Å; A538-F559 HydrophobicContact CB-CZ 4.05Å; H539-F559 HydrophobicContact CB-CE1 4.45Å; H539-F559 HydrophobicContact CB-CZ 4.45Å; L542-F559 HydrophobicContact CB-CZ 4.45Å; V544-F559 HydrophobicContact CG2-CD2 4.22Å; V544-F559 HydrophobicContact CG2-CE2 4.24Å; R555-F559 HydrophobicContact CB-CE2 4.37Å; R555-F559 WeakPolarHBondContact O-CD2 3.35Å; R555-F559 PolarHBondContact O-N 3.33Å; L556-F559 PolarHBondContact O-N 3.14Å; R557-F559 VanDerWaalsContact C-N 3.32Å; R557-F559 PolarHBondContact O-N 2.83Å; F559-A562 PolarHBondContact O-N 3.14Å; F559-R563 VanDerWaalsContact O-CB 3.3Å; F559-R563 WeakPolarHBondContact O-CB 3.44Å; F559-R563 PolarHBondContact O-N 3.49Å
560S92.6Very high94.3Very high15 Ų1512.2 Ų12.211%0.1056%0.062CC..Hα-helixtrans-63.9-42.2173.7-174.40000112L556 R557 R563 S564L556-S560 WeakPolarHBondContact O-CB 3.43Å; L556-S560 PolarHBondContact O-N 3.16Å; R557-S560 WeakPolarHBondContact O-CB 3.42Å; R557-S560 PolarHBondContact O-N 2.78Å; S560-R563 WeakPolarHBondContact O-CB 3.26Å; S560-R563 PolarHBondContact O-N 2.98Å; S560-S564 WeakPolarHBondContact O-CB 3.39Å; S560-S564 PolarHBondContact O-N 3.18Å; S560-S564 PolarHBondContact O-OG 3.48Å
561A94.2Very high94.7Very high0 Ų013.7 Ų13.70%06%0.063CC..Hα-helixtrans-62.1-49.1174.600000111.6L104 F107 L505 R557 L558 R563 S564 V565L104-A561 HydrophobicContact CD2-CB 3.41Å; L104-A561 VanDerWaalsContact CD2-CB 3.41Å; F107-A561 HydrophobicContact CB-CB 4.46Å; F107-A561 HydrophobicContact CD1-CB 4.26Å; F107-A561 HydrophobicContact CD2-CB 3.38Å; F107-A561 HydrophobicContact CE1-CB 4.34Å; F107-A561 HydrophobicContact CE2-CB 3.46Å; F107-A561 VanDerWaalsContact CE2-CB 3.46Å; F107-A561 HydrophobicContact CG-CB 3.77Å; F107-A561 HydrophobicContact CZ-CB 3.94Å; L505-A561 HydrophobicContact CD1-CB 4.08Å; R557-A561 PolarHBondContact O-N 3.39Å; L558-A561 PolarHBondContact O-N 2.95Å; A561-R563 VanDerWaalsContact C-N 3.3Å; A561-R563 PolarHBondContact O-N 3.21Å; A561-S564 PolarHBondContact O-N 3.34Å; A561-V565 WeakPolarHBondContact O-CG2 3.39Å; A561-V565 PolarHBondContact O-N 3.44Å
562A96.3Very high95Very high0 Ų012.6 Ų12.60%06%0.056CC..Hα-helixtrans-59.6-40.617700000112.3L473 I501 L531 V535 L558 F559 L566L473-A562 HydrophobicContact CD1-CB 4.35Å; I501-A562 HydrophobicContact CG2-CB 4.28Å; L531-A562 HydrophobicContact CD1-CB 4.28Å; V535-A562 HydrophobicContact CG2-CB 3.74Å; L558-A562 PolarHBondContact O-N 2.98Å; F559-A562 PolarHBondContact O-N 3.14Å; A562-L566 WeakPolarHBondContact O-CB 3.31Å; A562-L566 PolarHBondContact O-N 2.93Å
563R96Very high95.3Very high26 Ų2612.5 Ų12.510%0.0986%0.055CC..Hα-helixtrans-61.4-47.6176.3-170.2-17571.379.1-3.1111.8E111 L473 F559 S560 A561 L566 A567E111-R563 IonicContact OE1-CZ 3.83Å; E111-R563 IonicContact OE1-NH1 3.47Å; E111-R563 PolarHBondContact OE1-NH1 3.3Å; E111-R563 IonicContact OE1-NH2 3.47Å; E111-R563 PolarHBondContact OE1-NH2 2.62Å; L473-R563 HydrophobicContact CB-CB 3.85Å; L473-R563 HydrophobicContact CB-CG 3.74Å; L473-R563 HydrophobicContact CD1-CB 3.81Å; L473-R563 HydrophobicContact CD1-CG 4.38Å; L473-R563 HydrophobicContact CG-CB 4.45Å; F559-R563 VanDerWaalsContact O-CB 3.3Å; F559-R563 WeakPolarHBondContact O-CB 3.44Å; F559-R563 PolarHBondContact O-N 3.49Å; S560-R563 WeakPolarHBondContact O-CB 3.26Å; S560-R563 PolarHBondContact O-N 2.98Å; A561-R563 VanDerWaalsContact C-N 3.3Å; A561-R563 PolarHBondContact O-N 3.21Å; R563-L566 PolarHBondContact O-N 3.4Å; R563-A567 WeakPolarHBondContact O-CB 3.21Å; R563-A567 PolarHBondContact O-N 3.34Å
564S94.8Very high95.6Very high0 Ų010.4 Ų10.40%05%0.047CC..Hα-helixtrans-64.7-44.5-178.7-57.60000111.6F107 S560 A561 A567 S568F107-S564 VanDerWaalsContact CE1-CB 3.47Å; S560-S564 WeakPolarHBondContact O-CB 3.39Å; S560-S564 PolarHBondContact O-N 3.18Å; S560-S564 PolarHBondContact O-OG 3.48Å; A561-S564 PolarHBondContact O-N 3.34Å; S564-A567 PolarHBondContact O-N 3.39Å; S564-S568 WeakPolarHBondContact O-CB 3.46Å; S564-S568 PolarHBondContact O-N 2.92Å
565V96.4Very high95.9Very high1 Ų110.6 Ų10.61%0.0065%0.048CC..Hα-helixtrans-66.4-38.4176.9172.10000111.7F107 F115 L505 Y508 F527 L531 A561 G569F107-V565 HydrophobicContact CZ-CG2 4.18Å; F115-V565 HydrophobicContact CB-CG2 4.35Å; F115-V565 HydrophobicContact CD1-CG2 3.36Å; F115-V565 HydrophobicContact CE1-CG2 3.8Å; F115-V565 HydrophobicContact CG-CG2 3.95Å; L505-V565 HydrophobicContact CD2-CB 3.91Å; L505-V565 HydrophobicContact CD2-CG1 3.92Å; L505-V565 HydrophobicContact CD2-CG2 3.88Å; Y508-V565 HydrophobicContact CD1-CG1 4.09Å; Y508-V565 HydrophobicContact CD2-CG1 3.84Å; Y508-V565 HydrophobicContact CE1-CG1 4.17Å; Y508-V565 HydrophobicContact CE2-CG1 3.94Å; Y508-V565 HydrophobicContact CG-CG1 3.91Å; F527-V565 HydrophobicContact CE1-CG1 3.86Å; F527-V565 HydrophobicContact CZ-CG1 4.28Å; L531-V565 HydrophobicContact CD2-CB 4.43Å; L531-V565 HydrophobicContact CD2-CG1 4.09Å; A561-V565 WeakPolarHBondContact O-CG2 3.39Å; A561-V565 PolarHBondContact O-N 3.44Å; V565-G569 PolarHBondContact O-N 3.45Å
566L97.1Very high96.1Very high1 Ų112.6 Ų12.61%0.0056%0.064CC..Hα-helixtrans-62.1-46.8174.3-175.859.3000111.1L466 T469 H470 L528 A562 R563 M570L466-L566 HydrophobicContact CD2-CD1 4.13Å; T469-L566 HydrophobicContact CG2-CD2 3.78Å; H470-L566 HydrophobicContact CB-CD2 3.76Å; H470-L566 HydrophobicContact CB-CG 4.29Å; L528-L566 HydrophobicContact CB-CD1 4.13Å; L528-L566 HydrophobicContact CD2-CD1 4.02Å; A562-L566 WeakPolarHBondContact O-CB 3.31Å; A562-L566 PolarHBondContact O-N 2.93Å; R563-L566 PolarHBondContact O-N 3.4Å; L566-M570 HydrophobicContact CD1-CG 4.37Å; L566-M570 HydrophobicContact CD1-SD 3.98Å; L566-M570 HydrophobicContact CG-SD 3.82Å; L566-M570 WeakPolarHBondContact O-CB 3.36Å; L566-M570 WeakPolarHBondContact O-CG 3.31Å; L566-M570 PolarHBondContact O-N 3.47Å
567A97Very high96.3Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-61.4-49.1177.200000112.3R563 S564 M570 R571 P577R563-A567 WeakPolarHBondContact O-CB 3.21Å; R563-A567 PolarHBondContact O-N 3.34Å; S564-A567 PolarHBondContact O-N 3.39Å; A567-M570 PolarHBondContact O-N 3.2Å; A567-R571 WeakPolarHBondContact O-CG 3.36Å; A567-R571 PolarHBondContact O-N 3.37Å; A567-P577 HydrophobicContact CB-CG 4.19Å
568S96.8Very high96.5Very high10 Ų1012.6 Ų12.67%0.077%0.066CC..Hα-helixtrans-60.7-47.7178.9-178.40000111.7D113 Y508 S564 M570 R571 I572D113-S568 PolarHBondContact O-OG 3.38Å; Y508-S568 PolarHBondContact OH-OG 3.4Å; S564-S568 WeakPolarHBondContact O-CB 3.46Å; S564-S568 PolarHBondContact O-N 2.92Å; S568-M570 PolarHBondContact O-N 3.33Å; S568-R571 PolarHBondContact O-N 2.94Å; S568-I572 WeakPolarHBondContact O-CG1 3.29Å; S568-I572 PolarHBondContact O-N 2.77Å
569G98Very high96.3Very high0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans-61.5-40.1176.100000113.3Y508 V565 I572 L573Y508-G569 WeakPolarHBondContact OH-CA 3.28Å; Y508-G569 PolarHBondContact OH-N 2.94Å; V565-G569 PolarHBondContact O-N 3.45Å; G569-I572 PolarHBondContact O-N 2.86Å; G569-L573 WeakPolarHBondContact O-CG 3.37Å; G569-L573 PolarHBondContact O-N 3.2Å
570M98.3Very high96Very high0 Ų022.8 Ų22.80%011%0.113CC..Hα-helixtrans-62.7-44.6174.7-75.4169.271.400111.6L466 Q467 H470 L528 L566 A567 S568 I572 L573 G574 I575 P577L466-M570 HydrophobicContact CB-CE 4.36Å; L466-M570 HydrophobicContact CB-SD 4.17Å; Q467-M570 HydrophobicContact CG-CE 3.91Å; Q467-M570 VanDerWaalsContact OE1-CE 3.31Å; H470-M570 HydrophobicContact CB-SD 4.36Å; L528-M570 HydrophobicContact CD1-CG 4.37Å; L566-M570 HydrophobicContact CD1-CG 4.37Å; L566-M570 HydrophobicContact CD1-SD 3.98Å; L566-M570 HydrophobicContact CG-SD 3.82Å; L566-M570 WeakPolarHBondContact O-CB 3.36Å; L566-M570 WeakPolarHBondContact O-CG 3.31Å; L566-M570 PolarHBondContact O-N 3.47Å; A567-M570 PolarHBondContact O-N 3.2Å; S568-M570 PolarHBondContact O-N 3.33Å; M570-I572 VanDerWaalsContact C-N 3.33Å; M570-I572 PolarHBondContact O-N 3.27Å; M570-L573 WeakPolarHBondContact O-CB 3.22Å; M570-L573 PolarHBondContact O-N 2.88Å; M570-L573 VanDerWaalsContact O-N 3.1Å; M570-G574 PolarHBondContact O-N 3Å; M570-I575 CarbonylContact C-O 3.51Å; M570-I575 HydrophobicContact CB-CB 4.03Å; M570-I575 HydrophobicContact CB-CG2 4.18Å; M570-I575 HydrophobicContact CE-CG2 3.57Å; M570-I575 HydrophobicContact CG-CG2 4.49Å; M570-I575 WeakPolarHBondContact O-CA 3.38Å; M570-I575 WeakPolarHBondContact O-CB 3.49Å; M570-I575 PolarHBondContact O-N 3.02Å; M570-P577 HydrophobicContact CB-CG 3.95Å; M570-P577 HydrophobicContact CE-CB 4.09Å; M570-P577 HydrophobicContact CE-CG 4.32Å; M570-P577 HydrophobicContact SD-CB 4.45Å; M570-P577 HydrophobicContact SD-CG 4.49Å
571R97.9Very high95.5Very high96 Ų9623.4 Ų23.436%0.36211%0.114SC..Hα-helixtrans-61.2-40.3176.2-68177.3-162.8127.3-5.5111.8E111 D113 N159 A567 S568 L573 G574 I575 P577E111-R571 IonicContact OE2-NH2 3.1Å; E111-R571 PolarHBondContact OE2-NH2 2.66Å; E111-R571 VanDerWaalsContact OE2-NH2 3.13Å; D113-R571 IonicContact OD1-CZ 3.06Å; D113-R571 IonicContact OD1-NH1 2.56Å; D113-R571 PolarHBondContact OD1-NH1 3.27Å; D113-R571 IonicContact OD2-NH1 2.71Å; N159-R571 PolarHBondContact ND2-O 3.23Å; A567-R571 WeakPolarHBondContact O-CG 3.36Å; A567-R571 PolarHBondContact O-N 3.37Å; S568-R571 PolarHBondContact O-N 2.94Å; R571-L573 VanDerWaalsContact C-N 3.32Å; R571-L573 PolarHBondContact O-N 2.81Å; R571-G574 WeakPolarHBondContact O-CA 3.36Å; R571-G574 PolarHBondContact O-N 3.4Å; R571-I575 WeakPolarHBondContact CA-O 3.32Å; R571-I575 PolarHBondContact N-O 3.41Å; R571-P577 HydrophobicContact CG-CG 4.17Å
572I98.2Very high95.6Very high3 Ų324.6 Ų24.62%0.01512%0.12CC..Hα-helixtrans-60.6-40.7173.8-70.9160.8000111.3F156 N159 L160 L512 L524 S568 G569 M570 G574F156-I572 HydrophobicContact CD2-CG2 4.15Å; F156-I572 HydrophobicContact CE2-CG2 4.03Å; N159-I572 WeakPolarHBondContact CB-O 3.29Å; L160-I572 HydrophobicContact CB-CG2 4.07Å; L160-I572 HydrophobicContact CD1-CG2 4.17Å; L512-I572 HydrophobicContact CD2-CD1 3.82Å; L524-I572 HydrophobicContact CD2-CB 3.94Å; L524-I572 HydrophobicContact CD2-CG2 3.59Å; S568-I572 WeakPolarHBondContact O-CG1 3.29Å; S568-I572 PolarHBondContact O-N 2.77Å; G569-I572 PolarHBondContact O-N 2.86Å; M570-I572 VanDerWaalsContact C-N 3.33Å; M570-I572 PolarHBondContact O-N 3.27Å; I572-G574 PolarHBondContact O-N 2.9Å; I572-G574 VanDerWaalsContact O-N 3.16Å
573L98.4Very high95.5Very high1 Ų125.9 Ų25.91%0.00513%0.126CC..THydrogen-bonded Turntrans-67.6-7.3173.7-64.9178000113.8F156 I436 F440 P521 L524 V525 L528 G569 M570 R571 I575F156-L573 HydrophobicContact CD2-CD2 3.94Å; F156-L573 HydrophobicContact CE2-CD2 4.12Å; I436-L573 HydrophobicContact CG2-CB 4.42Å; I436-L573 WeakPolarHBondContact CG2-O 3.37Å; F440-L573 HydrophobicContact CD2-CD2 3.94Å; F440-L573 HydrophobicContact CE2-CD2 4.32Å; P521-L573 HydrophobicContact CB-CD2 3.98Å; L524-L573 HydrophobicContact CB-CD2 4.18Å; L524-L573 HydrophobicContact CD2-CD2 3.82Å; L524-L573 HydrophobicContact CD2-CG 3.91Å; L524-L573 HydrophobicContact CG-CD2 4.09Å; L524-L573 HydrophobicContact CG-CG 4.21Å; V525-L573 HydrophobicContact CG2-CD1 3.71Å; V525-L573 HydrophobicContact CG2-CD2 4.03Å; L528-L573 HydrophobicContact CD1-CD1 3.76Å; G569-L573 WeakPolarHBondContact O-CG 3.37Å; G569-L573 PolarHBondContact O-N 3.2Å; M570-L573 WeakPolarHBondContact O-CB 3.22Å; M570-L573 PolarHBondContact O-N 2.88Å; M570-L573 VanDerWaalsContact O-N 3.1Å; R571-L573 VanDerWaalsContact C-N 3.32Å; R571-L573 PolarHBondContact O-N 2.81Å; L573-I575 HydrophobicContact CB-CD1 4.12Å; L573-I575 HydrophobicContact CB-CG1 4.22Å; L573-I575 HydrophobicContact CD1-CD1 4.17Å
574G97.8Very high95.5Very high8 Ų825.9 Ų25.98%0.08213%0.128CC..THydrogen-bonded Turntrans83.415.6-173.200000113.6I436 M570 R571 I572I436-G574 WeakPolarHBondContact CD1-O 3.36Å; M570-G574 PolarHBondContact O-N 3Å; R571-G574 WeakPolarHBondContact O-CA 3.36Å; R571-G574 PolarHBondContact O-N 3.4Å; I572-G574 PolarHBondContact O-N 2.9Å; I572-G574 VanDerWaalsContact O-N 3.16Å
575I97.9Very high95.5Very high3 Ų327.4 Ų27.42%0.01514%0.135CC..  trans-93.2134.8177.6-62.2170000109.5S433 I436 V437 M570 R571 L573 P577S433-I575 WeakPolarHBondContact OG-CG2 3.41Å; I436-I575 HydrophobicContact CB-CD1 4.35Å; I436-I575 HydrophobicContact CB-CG1 4.08Å; I436-I575 HydrophobicContact CD1-CG1 3.85Å; I436-I575 HydrophobicContact CG2-CD1 4.04Å; I436-I575 HydrophobicContact CG2-CG1 3.87Å; V437-I575 HydrophobicContact CG2-CD1 3.7Å; M570-I575 CarbonylContact C-O 3.51Å; M570-I575 HydrophobicContact CB-CB 4.03Å; M570-I575 HydrophobicContact CB-CG2 4.18Å; M570-I575 HydrophobicContact CE-CG2 3.57Å; M570-I575 HydrophobicContact CG-CG2 4.49Å; M570-I575 WeakPolarHBondContact O-CA 3.38Å; M570-I575 WeakPolarHBondContact O-CB 3.49Å; M570-I575 PolarHBondContact O-N 3.02Å; R571-I575 WeakPolarHBondContact CA-O 3.32Å; R571-I575 PolarHBondContact N-O 3.41Å; L573-I575 HydrophobicContact CB-CD1 4.12Å; L573-I575 HydrophobicContact CB-CG1 4.22Å; L573-I575 HydrophobicContact CD1-CD1 4.17Å; I575-P577 VanDerWaalsContact O-CD 3.3Å; I575-P577 WeakPolarHBondContact O-CD 3.4Å
576T96.7Very high95.5Very high68 Ų6829.1 Ų29.142%0.41714%0.143SC..  trans-89.3109.5172.2-610000110.2K429 Q467 V578K429-T576 HydrophobicContact CD-CG2 4.05Å; K429-T576 HydrophobicContact CG-CG2 4.43Å; Q467-T576 PolarHBondContact NE2-O 3.48Å; T576-V578 PolarHBondContact O-N 3.43Å
577P96.5Very high95.4Very high23 Ų2330.9 Ų30.915%0.14915%0.153CC..  trans-67.9132-178.5-17.832.5000111.9A567 M570 R571 I575A567-P577 HydrophobicContact CB-CG 4.19Å; M570-P577 HydrophobicContact CB-CG 3.95Å; M570-P577 HydrophobicContact CE-CB 4.09Å; M570-P577 HydrophobicContact CE-CG 4.32Å; M570-P577 HydrophobicContact SD-CB 4.45Å; M570-P577 HydrophobicContact SD-CG 4.49Å; R571-P577 HydrophobicContact CG-CG 4.17Å; I575-P577 VanDerWaalsContact O-CD 3.3Å; I575-P577 WeakPolarHBondContact O-CD 3.4Å
578V95.3Very high95.3Very high9 Ų933.1 Ų33.16%0.05516%0.164CC..  trans-90.6143.1174.4-55.60000110.7T426 K429 V430 Q467 H470 A471 T576 M581T426-V578 HydrophobicContact CG2-CG1 4.35Å; K429-V578 HydrophobicContact CB-CG1 3.69Å; K429-V578 HydrophobicContact CD-CG1 3.87Å; K429-V578 HydrophobicContact CG-CG1 4.42Å; V430-V578 HydrophobicContact CG2-CG1 4.39Å; V430-V578 HydrophobicContact CG2-CG2 4.25Å; Q467-V578 HydrophobicContact CB-CG2 4.29Å; H470-V578 PolarHBondContact CE1-O 3.17Å; H470-V578 PolarHBondContact ND1-O 2.85Å; A471-V578 HydrophobicContact CB-CG2 4.39Å; T576-V578 PolarHBondContact O-N 3.43Å; V578-M581 HydrophobicContact CG2-CB 4.09Å; V578-M581 HydrophobicContact CG2-CG 4.36Å; V578-M581 HydrophobicContact CG2-SD 4.18Å
579Q91.9Very high95.1Very high138 Ų13834.9 Ų34.965%0.64517%0.171SC*.SBendtrans-85.9-26.1179.7-63.7-175.7-0.500112.8A471 C474A471-Q579 WeakPolarHBondContact CA-O 3.38Å; C474-Q579 HydrophobicContact CB-CB 4.41Å; C474-Q579 VanDerWaalsContact CB-O 3.27Å; C474-Q579 WeakPolarHBondContact CB-O 3.44Å
580K87.9Confident94.9Very high77 Ų7737.8 Ų37.834%0.33519%0.185SC..  trans-139.8144.5178.6-62.4178.6-173170.20108.1L420L420-K580 HydrophobicContact CD2-CB 3.75Å
581M82Confident94.6Very high28 Ų2841.3 Ų41.314%0.13820%0.202CC..  trans-157.50169.366.3-178.3-68.800110T417 T426 V430 V464 Q467 Y468 A471 V578T417-M581 WeakPolarHBondContact CG2-OXT 3.3Å; T426-M581 HydrophobicContact CG2-CB 4.05Å; V430-M581 HydrophobicContact CG1-CE 3.98Å; V430-M581 HydrophobicContact CG2-CE 3.95Å; V430-M581 HydrophobicContact CG2-SD 4.23Å; V464-M581 HydrophobicContact CG1-CE 4.15Å; Q467-M581 HydrophobicContact CB-SD 3.74Å; Y468-M581 WeakPolarHBondContact CA-SD 3.39Å; Y468-M581 PolarHBondContact N-SD 3.47Å; A471-M581 HydrophobicContact CB-CG 3.79Å; A471-M581 HydrophobicContact CB-SD 4.41Å; V578-M581 HydrophobicContact CG2-CB 4.09Å; V578-M581 HydrophobicContact CG2-CG 4.36Å; V578-M581 HydrophobicContact CG2-SD 4.18Å

Retrieved 581 of 581 residues in 1587 ms (Link to these results)

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