A0A3B3TKK7_9TELE Loading...

Dual specificity phosphatase 22b

Activates the Jnk signaling pathway. Dephosphorylates and deactivates p38 and stress-activated protein kinase/c-Jun N-terminal kinase (SAPK/JNK).

AlphaFold DB , UniProt , Accession A0A3B3TKK7, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 173 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
1M58.9Low88.5Confident148 Ų14853.5 Ų53.573%0.72929%0.287SS*.  0143.10-64.2-177.7178.900107.3A90M1-A90 HydrophobicContact CE-CB 4.28Å; M1-A90 HydrophobicContact CG-CB 3.96Å
2G65.3Low89.4Confident15 Ų1549.1 Ų49.116%0.15526%0.263CS..  trans-66.9166-179.800000113.5G4 N16G2-G4 PolarHBondContact O-N 3.05Å; G2-N16 PolarHBondContact O-ND2 3.34Å
3N74.3Confident90.1Very high163 Ų16346.2 Ų46.287%0.87225%0.246SC*.SBendtrans-94.579.3-177.7-68.5-15000111.4
4G91.6Very high90.7Very high13 Ų1342.9 Ų42.913%0.13423%0.229CC..SBendtrans91.2-172.3175.300000115.2G2 D19 R122G2-G4 PolarHBondContact O-N 3.05Å; G4-D19 WeakPolarHBondContact CA-OD1 3.25Å; G4-R122 PolarHBondContact O-NH1 3.19Å
5I96.2Very high91.2Very high21 Ų2140.1 Ų40.111%0.10821%0.214CC..  trans-72.7129.2175.8-61.2-173.7000109.9Y13 D19 Q25 L26 I31 L85I5-Y13 VanDerWaalsContact CG2-CB 3.48Å; I5-Y13 HydrophobicContact CG2-CD1 3.65Å; I5-Y13 HydrophobicContact CG2-CG 3.84Å; I5-D19 HydrophobicContact CD1-CB 4.46Å; I5-D19 HydrophobicContact CG1-CB 3.71Å; I5-Q25 HydrophobicContact CD1-CB 3.83Å; I5-Q25 HydrophobicContact CG1-CB 4.34Å; I5-Q25 VanDerWaalsContact N-OE1 3.13Å; I5-L26 HydrophobicContact CD1-CD2 4.19Å; I5-I31 HydrophobicContact CD1-CD1 3.69Å; I5-I31 HydrophobicContact CG2-CD1 4.32Å; I5-L85 HydrophobicContact CD1-CD1 4.33Å; I5-L85 HydrophobicContact CD1-CD2 4.19Å; I5-L85 HydrophobicContact CG1-CD1 4.35Å; I5-L85 HydrophobicContact CG2-CD1 4.2Å
6N97.8Very high91.6Very high36 Ų3638.2 Ų38.219%0.19320%0.204CC..EExtended strand (participates in β ladder)trans-113.5127.7175.4-55.4117.2000110.7Y13 L14 V121 R122N6-Y13 CarbonylContact O-C 3.57Å; N6-Y13 WeakPolarHBondContact O-CA 3.42Å; N6-L14 PolarHBondContact N-O 3.21Å; N6-L14 PolarHBondContact O-N 3.1Å; N6-V121 VanDerWaalsContact CG-O 3.3Å; N6-V121 PolarHBondContact ND2-O 3.39Å; N6-R122 HydrophobicContact CB-CB 4.26Å; N6-R122 WeakPolarHBondContact OD1-CG 3.43Å; N6-R122 PolarHBondContact OD1-NH1 3.22Å
7K98.1Very high91.9Very high109 Ų10939.2 Ų39.247%0.47421%0.206SC..EExtended strand (participates in β ladder)trans-73.9123.2174.6-172.3174.4-177.9169.10110.2L9 Y13 V121K7-L9 WeakPolarHBondContact CE-O 3.4Å; K7-L9 VanDerWaalsContact CG-O 3.24Å; K7-L9 WeakPolarHBondContact CG-O 3.42Å; K7-Y13 HydrophobicContact CB-CD1 3.81Å; K7-Y13 HydrophobicContact CB-CE1 3.69Å; K7-Y13 HydrophobicContact CD-CE1 4.12Å; K7-Y13 HydrophobicContact CG-CD1 4.17Å; K7-Y13 HydrophobicContact CG-CE1 3.78Å; K7-V121 WeakPolarHBondContact O-CG1 3.28Å
8V97.7Very high92.2Very high6 Ų645.9 Ų45.94%0.03623%0.233CC..EExtended strand (participates in β ladder)trans-98-48.2178.8-176.80000110.7L12 L14 V99 I103 V118 V121 L168V8-L12 PolarHBondContact N-O 3.47Å; V8-L14 HydrophobicContact CG2-CB 4.09Å; V8-L14 HydrophobicContact CG2-CD1 3.65Å; V8-L14 HydrophobicContact CG2-CG 3.83Å; V8-V99 HydrophobicContact CG1-CG1 3.99Å; V8-V99 HydrophobicContact CG2-CG1 4.43Å; V8-I103 HydrophobicContact CG1-CD1 3.91Å; V8-V118 HydrophobicContact CG1-CG2 4.11Å; V8-V121 HydrophobicContact CG2-CG2 4.15Å; V8-L168 WeakPolarHBondContact O-CD1 3.36Å
9L98.1Very high92.4Very high3 Ų343.7 Ų43.72%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-133169.8174.5-78.5171.1000108.6K7 D11 L12 Y102 I103 L106 E164 I165K7-L9 WeakPolarHBondContact CE-O 3.4Å; K7-L9 VanDerWaalsContact CG-O 3.24Å; K7-L9 WeakPolarHBondContact CG-O 3.42Å; L9-D11 PolarHBondContact O-N 3.44Å; L9-D11 VanDerWaalsContact O-N 3.1Å; L9-L12 HydrophobicContact CB-CB 4.04Å; L9-L12 HydrophobicContact CB-CD2 4.41Å; L9-L12 HydrophobicContact CD1-CD2 4.3Å; L9-L12 PolarHBondContact N-O 3.12Å; L9-L12 PolarHBondContact O-N 2.89Å; L9-L12 VanDerWaalsContact O-N 3.12Å; L9-Y102 HydrophobicContact CD1-CE1 4.5Å; L9-I103 HydrophobicContact CD1-CG1 4.45Å; L9-L106 HydrophobicContact CD1-CD1 4.07Å; L9-E164 HydrophobicContact CD2-CB 3.55Å; L9-E164 HydrophobicContact CD2-CG 4.43Å; L9-I165 HydrophobicContact CD1-CD1 4.35Å; L9-I165 HydrophobicContact CD2-CD1 3.72Å; L9-I165 HydrophobicContact CD2-CG1 4.04Å; L9-I165 HydrophobicContact CG-CD1 4.04Å
10P97.8Very high92.6Very high34 Ų3441.7 Ų41.722%0.22121%0.212CC..THydrogen-bonded Turntrans-45.8121.5163.1-2836.9000110.7L12 R78 E164P10-L12 PolarHBondContact O-N 3.32Å; P10-L12 VanDerWaalsContact O-N 3.14Å; P10-R78 PolarHBondContact O-NE 3.15Å; P10-R78 PolarHBondContact O-NH2 3.24Å; P10-E164 HydrophobicContact CG-CG 4.19Å
11D98.3Very high92.8Very high41 Ų4145.8 Ų45.822%0.21923%0.225CC..THydrogen-bonded Turntrans60.419.1177.7-46.3-48.8000116.2L9 R78 E82 G83 C84L9-D11 PolarHBondContact O-N 3.44Å; L9-D11 VanDerWaalsContact O-N 3.1Å; D11-R78 HydrophobicContact CB-CG 4.27Å; D11-E82 WeakPolarHBondContact CB-O 3.27Å; D11-G83 WeakPolarHBondContact O-CA 3.36Å; D11-C84 PolarHBondContact O-N 2.8Å
12L98.8Very high94.6Very high0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans-124.8128.5172.6-176.669.2000111.3V8 L9 P10 M74 C84 V86 V99 Y102V8-L12 PolarHBondContact N-O 3.47Å; L9-L12 HydrophobicContact CB-CB 4.04Å; L9-L12 HydrophobicContact CB-CD2 4.41Å; L9-L12 HydrophobicContact CD1-CD2 4.3Å; L9-L12 PolarHBondContact N-O 3.12Å; L9-L12 PolarHBondContact O-N 2.89Å; L9-L12 VanDerWaalsContact O-N 3.12Å; P10-L12 PolarHBondContact O-N 3.32Å; P10-L12 VanDerWaalsContact O-N 3.14Å; L12-M74 HydrophobicContact CD1-CB 4.27Å; L12-M74 HydrophobicContact CD1-CG 3.9Å; L12-M74 HydrophobicContact CD1-SD 3.78Å; L12-C84 HydrophobicContact CD1-CB 4.24Å; L12-V86 HydrophobicContact CD1-CG2 3.99Å; L12-V99 HydrophobicContact CD2-CG1 4.29Å; L12-Y102 HydrophobicContact CD2-CD1 3.64Å; L12-Y102 HydrophobicContact CD2-CE1 3.81Å
13Y98.8Very high96.1Very high12 Ų1247.4 Ų47.45%0.04722%0.222CC..EExtended strand (participates in β ladder)trans-131.8149.4-172.9-56-91.6000112.6I5 N6 K7 N29 I31 C84 V86I5-Y13 VanDerWaalsContact CG2-CB 3.48Å; I5-Y13 HydrophobicContact CG2-CD1 3.65Å; I5-Y13 HydrophobicContact CG2-CG 3.84Å; N6-Y13 CarbonylContact O-C 3.57Å; N6-Y13 WeakPolarHBondContact O-CA 3.42Å; K7-Y13 HydrophobicContact CB-CD1 3.81Å; K7-Y13 HydrophobicContact CB-CE1 3.69Å; K7-Y13 HydrophobicContact CD-CE1 4.12Å; K7-Y13 HydrophobicContact CG-CD1 4.17Å; K7-Y13 HydrophobicContact CG-CE1 3.78Å; Y13-N29 HydrophobicContact CD1-CB 4.48Å; Y13-N29 HydrophobicContact CE1-CB 3.89Å; Y13-N29 WeakPolarHBondContact CE1-OD1 3.35Å; Y13-N29 HydrophobicContact CE2-CB 4.16Å; Y13-N29 PolarHBondContact OH-O 3.12Å; Y13-I31 HydrophobicContact CD2-CD1 4Å; Y13-I31 HydrophobicContact CD2-CG1 3.88Å; Y13-I31 HydrophobicContact CE2-CD1 4.48Å; Y13-I31 HydrophobicContact CE2-CG1 4.09Å; Y13-I31 HydrophobicContact CG-CD1 4.18Å; Y13-C84 PolarHBondContact N-O 3.41Å; Y13-V86 PolarHBondContact O-N 3.37Å
14L98.4Very high97.1Very high0 Ų045.7 Ų45.70%021%0.209CC..EExtended strand (participates in β ladder)trans-115.1137.8172.1-86.9171.2000110.8N6 V8 V86 V96 V99 V118N6-L14 PolarHBondContact N-O 3.21Å; N6-L14 PolarHBondContact O-N 3.1Å; V8-L14 HydrophobicContact CG2-CB 4.09Å; V8-L14 HydrophobicContact CG2-CD1 3.65Å; V8-L14 HydrophobicContact CG2-CG 3.83Å; L14-V86 WeakPolarHBondContact CA-O 3.06Å; L14-V86 HydrophobicContact CD2-CB 4.19Å; L14-V96 HydrophobicContact CD1-CG2 4.17Å; L14-V96 HydrophobicContact CD2-CG2 4.39Å; L14-V99 HydrophobicContact CD1-CB 4.29Å; L14-V99 HydrophobicContact CD1-CG1 4.13Å; L14-V99 HydrophobicContact CD1-CG2 4.32Å; L14-V99 HydrophobicContact CD2-CB 4.32Å; L14-V99 HydrophobicContact CD2-CG2 3.67Å; L14-V99 HydrophobicContact CG-CB 4.44Å; L14-V99 HydrophobicContact CG-CG1 4.48Å; L14-V99 HydrophobicContact CG-CG2 3.93Å; L14-V118 HydrophobicContact CD1-CG1 3.54Å
15G97.9Very high97.4Very high0 Ų047.1 Ų47.10%021%0.212CC..EExtended strand (participates in β ladder)trans-150.3176.717900000114D19 V86 H87 G91G15-D19 WeakPolarHBondContact CA-OD2 3.29Å; G15-V86 PolarHBondContact N-O 3.45Å; G15-V86 VanDerWaalsContact N-O 3.14Å; G15-H87 WeakPolarHBondContact O-CA 3.44Å; G15-H87 WeakPolarHBondContact O-CB 3.44Å; G15-G91 WeakPolarHBondContact O-CA 3.32Å
16N97.6Very high97.5Very high10 Ų1046.1 Ų46.15%0.05321%0.207CC..  trans-99179.5169.170.552.6000110.7G2 K18 D19 A20 C88G2-N16 PolarHBondContact O-ND2 3.34Å; N16-K18 VanDerWaalsContact C-N 3.34Å; N16-K18 PolarHBondContact O-N 3.42Å; N16-K18 WeakPolarHBondContact OD1-CA 3.29Å; N16-K18 VanDerWaalsContact OD1-CB 3.24Å; N16-K18 WeakPolarHBondContact OD1-CB 3.42Å; N16-K18 PolarHBondContact OD1-N 3.34Å; N16-D19 VanDerWaalsContact CG-CG 3.45Å; N16-D19 PolarHBondContact N-OD2 2.89Å; N16-D19 PolarHBondContact ND2-OD1 3.43Å; N16-D19 PolarHBondContact ND2-OD2 3.37Å; N16-D19 WeakPolarHBondContact O-CB 3.44Å; N16-D19 PolarHBondContact O-N 2.87Å; N16-D19 PolarHBondContact OD1-N 3.23Å; N16-D19 PolarHBondContact OD1-OD1 2.94Å; N16-D19 PolarHBondContact OD1-OD2 3.36Å; N16-A20 PolarHBondContact O-N 3.44Å; N16-C88 CarbonylContact C-O 3.25Å
17F96.8Very high97.5Very high55 Ų5548 Ų4824%0.24123%0.228CC..THydrogen-bonded Turntrans-63.4-33.2-178.5-177.9-102.6000114.9R21 H38 M44 C88 L89F17-R21 VanDerWaalsContact CE1-CZ 3.41Å; F17-R21 VanDerWaalsContact CE1-NE 3.32Å; F17-H38 AromaticContact CD2-NE2 3.95Å; F17-H38 AromaticContact CE2-CE1 3.96Å; F17-H38 AromaticContact CE2-NE2 3.85Å; F17-M44 HydrophobicContact CE2-SD 4.19Å; F17-M44 HydrophobicContact CZ-SD 4.31Å; F17-C88 PolarHBondContact N-O 2.85Å; F17-C88 VanDerWaalsContact N-O 3.12Å; F17-L89 HydrophobicContact CB-CD1 4.25Å; F17-L89 PolarHBondContact N-O 3.22Å; F17-L89 VanDerWaalsContact N-O 3.12Å
18K96.7Very high97.4Very high160 Ų16051.1 Ų51.170%0.69624%0.236SC*.THydrogen-bonded Turntrans-67.3-43.4175.2-178.8-172.8172.8-173.40110.2N16 A20 R21 D22N16-K18 VanDerWaalsContact C-N 3.34Å; N16-K18 PolarHBondContact O-N 3.42Å; N16-K18 WeakPolarHBondContact OD1-CA 3.29Å; N16-K18 VanDerWaalsContact OD1-CB 3.24Å; N16-K18 WeakPolarHBondContact OD1-CB 3.42Å; N16-K18 PolarHBondContact OD1-N 3.34Å; K18-A20 VanDerWaalsContact C-N 3.26Å; K18-A20 PolarHBondContact O-N 3.02Å; K18-R21 PolarHBondContact O-N 3.22Å; K18-D22 PolarHBondContact O-N 3Å
19D96.7Very high97.4Very high5 Ų552.9 Ų52.93%0.02725%0.245CC..G310 helixtrans-60.4-38.2180-53.3-29000111.3G4 I5 G15 N16 R21 D22G4-D19 WeakPolarHBondContact CA-OD1 3.25Å; I5-D19 HydrophobicContact CD1-CB 4.46Å; I5-D19 HydrophobicContact CG1-CB 3.71Å; G15-D19 WeakPolarHBondContact CA-OD2 3.29Å; N16-D19 VanDerWaalsContact CG-CG 3.45Å; N16-D19 PolarHBondContact N-OD2 2.89Å; N16-D19 PolarHBondContact ND2-OD1 3.43Å; N16-D19 PolarHBondContact ND2-OD2 3.37Å; N16-D19 WeakPolarHBondContact O-CB 3.44Å; N16-D19 PolarHBondContact O-N 2.87Å; N16-D19 PolarHBondContact OD1-N 3.23Å; N16-D19 PolarHBondContact OD1-OD1 2.94Å; N16-D19 PolarHBondContact OD1-OD2 3.36Å; D19-R21 PolarHBondContact O-N 3.31Å; D19-R21 VanDerWaalsContact O-N 3.11Å; D19-D22 WeakPolarHBondContact O-CB 3.4Å; D19-D22 PolarHBondContact O-N 3.38Å; D19-D22 VanDerWaalsContact O-N 3.1Å
20A97Very high97.4Very high3 Ų356.9 Ų56.93%0.02527%0.267CS..G310 helixtrans-66.3-9.4177.200000115N16 K18 L85 H87N16-A20 PolarHBondContact O-N 3.44Å; K18-A20 VanDerWaalsContact C-N 3.26Å; K18-A20 PolarHBondContact O-N 3.02Å; A20-L85 HydrophobicContact CB-CD2 3.98Å; A20-H87 HydrophobicContact CB-CB 4.41Å; A20-H87 VanDerWaalsContact CB-CD2 3.46Å; A20-H87 WeakPolarHBondContact CB-CD2 3.47Å; A20-H87 WeakPolarHBondContact CB-NE2 3.38Å
21R95.8Very high97.4Very high128 Ų12855.5 Ų55.548%0.48326%0.257SS..G310 helixtrans-109.9-4.7176.3-62.6179.6174.8-148.5-7.9112.7F17 K18 D19 R23 M44F17-R21 VanDerWaalsContact CE1-CZ 3.41Å; F17-R21 VanDerWaalsContact CE1-NE 3.32Å; K18-R21 PolarHBondContact O-N 3.22Å; D19-R21 PolarHBondContact O-N 3.31Å; D19-R21 VanDerWaalsContact O-N 3.11Å; R21-R23 PolarHBondContact O-N 2.94Å; R21-R23 VanDerWaalsContact O-N 3.16Å; R21-M44 HydrophobicContact CG-CE 3.89Å; R21-M44 HydrophobicContact CG-SD 4.02Å; R21-M44 VanDerWaalsContact CZ-SD 3.54Å; R21-M44 PolarHBondContact NE-SD 3.1Å; R21-M44 PolarHBondContact NH2-SD 2.73Å
22D96.8Very high97.5Very high47 Ų4755.3 Ų55.325%0.25126%0.258SS..  trans-84.589.1-177.1-171.9-26.3000109.9K18 D19 E24 Q25 L26K18-D22 PolarHBondContact O-N 3Å; D19-D22 WeakPolarHBondContact O-CB 3.4Å; D19-D22 PolarHBondContact O-N 3.38Å; D19-D22 VanDerWaalsContact O-N 3.1Å; D22-E24 PolarHBondContact O-N 3.1Å; D22-E24 VanDerWaalsContact O-N 3.13Å; D22-E24 WeakPolarHBondContact OD1-CB 3.4Å; D22-E24 PolarHBondContact OD1-N 3.43Å; D22-E24 VanDerWaalsContact OD1-N 3.15Å; D22-Q25 HydrophobicContact CB-CB 4.09Å; D22-Q25 HydrophobicContact CB-CG 4.37Å; D22-Q25 PolarHBondContact O-N 3.14Å; D22-Q25 VanDerWaalsContact O-N 3.12Å; D22-Q25 PolarHBondContact OD1-N 3.29Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.47Å; D22-Q25 PolarHBondContact OD2-NE2 3.32Å; D22-L26 VanDerWaalsContact O-CG 3.25Å; D22-L26 WeakPolarHBondContact O-CG 3.21Å; D22-L26 PolarHBondContact O-N 3.49Å
23R96.9Very high97.5Very high150 Ų15055.7 Ų55.757%0.56626%0.26SS*.Hα-helixtrans-55.4-30.5-179.4-71.2-169.1174.3108.3-1.7113.5R21 A27 L45 E47R21-R23 PolarHBondContact O-N 2.94Å; R21-R23 VanDerWaalsContact O-N 3.16Å; R23-A27 VanDerWaalsContact O-CB 3.26Å; R23-A27 WeakPolarHBondContact O-CB 3.4Å; R23-A27 PolarHBondContact O-N 3.3Å; R23-L45 HydrophobicContact CG-CD1 4.46Å; R23-L45 HydrophobicContact CG-CD2 4.47Å; R23-E47 IonicContact NE-OE1 3.94Å; R23-E47 PolarHBondContact NE-OE1 3.24Å
24E96.5Very high97.5Very high127 Ų12755.1 Ų55.159%0.59326%0.258SS*.Hα-helixtrans-70.4-47.1178.7-167.9-170.2157.100110.6D22 L26 A27 R28D22-E24 PolarHBondContact O-N 3.1Å; D22-E24 VanDerWaalsContact O-N 3.13Å; D22-E24 WeakPolarHBondContact OD1-CB 3.4Å; D22-E24 PolarHBondContact OD1-N 3.43Å; D22-E24 VanDerWaalsContact OD1-N 3.15Å; E24-L26 VanDerWaalsContact C-N 3.34Å; E24-A27 PolarHBondContact O-N 2.9Å; E24-R28 VanDerWaalsContact O-CB 3.27Å; E24-R28 WeakPolarHBondContact O-CB 3.46Å; E24-R28 PolarHBondContact O-N 3.32Å; E24-R28 IonicContact OE1-CZ 3.91Å; E24-R28 IonicContact OE1-NH2 2.69Å; E24-R28 PolarHBondContact OE1-NH2 2.7Å
25Q96.4Very high97.5Very high42 Ų4255.1 Ų55.120%0.19626%0.258CS..Hα-helixtrans-64.4-38.9174.8-74.6-169.474.700112.2I5 D22 N29I5-Q25 HydrophobicContact CD1-CB 3.83Å; I5-Q25 HydrophobicContact CG1-CB 4.34Å; I5-Q25 VanDerWaalsContact N-OE1 3.13Å; D22-Q25 HydrophobicContact CB-CB 4.09Å; D22-Q25 HydrophobicContact CB-CG 4.37Å; D22-Q25 PolarHBondContact O-N 3.14Å; D22-Q25 VanDerWaalsContact O-N 3.12Å; D22-Q25 PolarHBondContact OD1-N 3.29Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.47Å; D22-Q25 PolarHBondContact OD2-NE2 3.32Å; Q25-N29 PolarHBondContact O-N 2.98Å; Q25-N29 PolarHBondContact O-ND2 2.71Å
26L98.1Very high97.5Very high0 Ų055.3 Ų55.30%026%0.259CS..Hα-helixtrans-61.9-50.7177.1-65.2171.1000111I5 D22 E24 R28 N29 N30 I31 I34 L45 M48 L85I5-L26 HydrophobicContact CD1-CD2 4.19Å; D22-L26 VanDerWaalsContact O-CG 3.25Å; D22-L26 WeakPolarHBondContact O-CG 3.21Å; D22-L26 PolarHBondContact O-N 3.49Å; E24-L26 VanDerWaalsContact C-N 3.34Å; L26-R28 PolarHBondContact O-N 3.19Å; L26-N29 PolarHBondContact O-N 3.2Å; L26-N30 PolarHBondContact O-N 2.96Å; L26-I31 HydrophobicContact CB-CB 4.35Å; L26-I31 HydrophobicContact CD2-CB 3.96Å; L26-I31 HydrophobicContact CD2-CD1 3.93Å; L26-I31 HydrophobicContact CD2-CG2 3.66Å; L26-I31 PolarHBondContact O-N 3.41Å; L26-I34 HydrophobicContact CD1-CD1 4.28Å; L26-I34 HydrophobicContact CD2-CD1 4.24Å; L26-L45 HydrophobicContact CD1-CD1 3.4Å; L26-L45 VanDerWaalsContact CD1-CD1 3.4Å; L26-M48 HydrophobicContact CB-CE 4.1Å; L26-M48 HydrophobicContact CD1-CE 4.05Å; L26-L85 HydrophobicContact CD2-CD2 3.76Å
27A97.6Very high97.6Very high77 Ų7754.8 Ų54.864%0.63626%0.256SS*.Hα-helixtrans-62.9-43.517900000112.4R23 E24 N29 N30R23-A27 VanDerWaalsContact O-CB 3.26Å; R23-A27 WeakPolarHBondContact O-CB 3.4Å; R23-A27 PolarHBondContact O-N 3.3Å; E24-A27 PolarHBondContact O-N 2.9Å; A27-N29 PolarHBondContact O-N 2.97Å; A27-N30 PolarHBondContact O-N 3.13Å; A27-N30 VanDerWaalsContact O-N 3.12Å
28R97.4Very high97.6Very high174 Ų17452.9 Ų52.966%0.65725%0.248SC*.Hα-helixtrans-60.1-30.2-179.9-172.1-175.6-62.8169-0.1113E24 L26E24-R28 VanDerWaalsContact O-CB 3.27Å; E24-R28 WeakPolarHBondContact O-CB 3.46Å; E24-R28 PolarHBondContact O-N 3.32Å; E24-R28 IonicContact OE1-CZ 3.91Å; E24-R28 IonicContact OE1-NH2 2.69Å; E24-R28 PolarHBondContact OE1-NH2 2.7Å; L26-R28 PolarHBondContact O-N 3.19Å
29N97.4Very high97.6Very high42 Ų4249.1 Ų49.123%0.22523%0.233CC..THydrogen-bonded Turntrans-100.410.7-178.5-69-70.9000113.3Y13 Q25 L26 A27 I31Y13-N29 HydrophobicContact CD1-CB 4.48Å; Y13-N29 HydrophobicContact CE1-CB 3.89Å; Y13-N29 WeakPolarHBondContact CE1-OD1 3.35Å; Y13-N29 HydrophobicContact CE2-CB 4.16Å; Y13-N29 PolarHBondContact OH-O 3.12Å; Q25-N29 PolarHBondContact O-N 2.98Å; Q25-N29 PolarHBondContact O-ND2 2.71Å; L26-N29 PolarHBondContact O-N 3.2Å; A27-N29 PolarHBondContact O-N 2.97Å; N29-I31 HydrophobicContact CB-CD1 3.7Å; N29-I31 HydrophobicContact CB-CG1 3.88Å; N29-I31 PolarHBondContact O-N 3.37Å
30N97.9Very high97.6Very high87 Ų8753.8 Ų53.847%0.46526%0.264SS..THydrogen-bonded Turntrans53.237-175.5-167.942.8000112.9L26 A27 G81 G83L26-N30 PolarHBondContact O-N 2.96Å; A27-N30 PolarHBondContact O-N 3.13Å; A27-N30 VanDerWaalsContact O-N 3.12Å; N30-G81 PolarHBondContact ND2-O 3.22Å; N30-G83 VanDerWaalsContact O-CA 3.3Å; N30-G83 WeakPolarHBondContact O-CA 3.26Å; N30-G83 PolarHBondContact O-N 3.02Å
31I98.6Very high97.6Very high5 Ų554.2 Ų54.23%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-80.8122.8-178.8-66.3161.7000109.3I5 Y13 L26 N29 H33 I34 M48 G83 L85I5-I31 HydrophobicContact CD1-CD1 3.69Å; I5-I31 HydrophobicContact CG2-CD1 4.32Å; Y13-I31 HydrophobicContact CD2-CD1 4Å; Y13-I31 HydrophobicContact CD2-CG1 3.88Å; Y13-I31 HydrophobicContact CE2-CD1 4.48Å; Y13-I31 HydrophobicContact CE2-CG1 4.09Å; Y13-I31 HydrophobicContact CG-CD1 4.18Å; L26-I31 HydrophobicContact CB-CB 4.35Å; L26-I31 HydrophobicContact CD2-CB 3.96Å; L26-I31 HydrophobicContact CD2-CD1 3.93Å; L26-I31 HydrophobicContact CD2-CG2 3.66Å; L26-I31 PolarHBondContact O-N 3.41Å; N29-I31 HydrophobicContact CB-CD1 3.7Å; N29-I31 HydrophobicContact CB-CG1 3.88Å; N29-I31 PolarHBondContact O-N 3.37Å; I31-H33 WeakPolarHBondContact CG2-O 3.48Å; I31-I34 HydrophobicContact CG2-CG1 4.26Å; I31-M48 WeakPolarHBondContact O-CE 3.31Å; I31-M48 VanDerWaalsContact O-SD 3.36Å; I31-G83 WeakPolarHBondContact CA-O 3.39Å; I31-L85 HydrophobicContact CD1-CB 4.14Å; I31-L85 HydrophobicContact CG2-CB 3.85Å
32T98.7Very high97.6Very high37 Ų3750.5 Ų50.523%0.22727%0.265CS..EExtended strand (participates in β ladder)trans-122.2-19.517762.10000112.1M48 T49 E82 G83T32-M48 WeakPolarHBondContact O-CA 3.48Å; T32-T49 PolarHBondContact O-N 2.91Å; T32-E82 WeakPolarHBondContact CB-OE2 3.37Å; T32-E82 HydrophobicContact CG2-CG 4.44Å; T32-E82 WeakPolarHBondContact OG1-CB 3.31Å; T32-E82 PolarHBondContact OG1-OE2 3.12Å; T32-G83 PolarHBondContact N-O 3.15Å
33H98.8Very high97.6Very high9 Ų952.9 Ų52.94%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-116.4136.1-179.8-69.965.2000111I31 T49 F73 C77 E82 G83 C84 L85I31-H33 WeakPolarHBondContact CG2-O 3.48Å; H33-T49 CarbonylContact C-O 3.54Å; H33-T49 VanDerWaalsContact CA-O 3.3Å; H33-T49 WeakPolarHBondContact CA-O 3.5Å; H33-F73 HydrophobicContact CB-CE1 3.84Å; H33-F73 HydrophobicContact CB-CZ 3.75Å; H33-F73 AromaticContact CD2-CE2 3.85Å; H33-F73 AromaticContact CD2-CZ 3.73Å; H33-C77 HydrophobicContact CB-CB 4.05Å; H33-C77 VanDerWaalsContact CB-SG 3.55Å; H33-C77 PolarHBondContact ND1-SG 3.5Å; H33-C77 VanDerWaalsContact ND1-SG 3.37Å; H33-E82 IonicContact CE1-OE2 3.73Å; H33-E82 PolarHBondContact CE1-OE2 3.13Å; H33-E82 IonicContact ND1-OE2 2.68Å; H33-E82 PolarHBondContact ND1-OE2 3.5Å; H33-G83 PolarHBondContact N-O 2.97Å; H33-C84 HydrophobicContact CB-CB 4.4Å; H33-C84 WeakPolarHBondContact O-CA 3.32Å; H33-L85 PolarHBondContact O-N 3.22Å
34I98.9Very high97.5Very high0 Ų049 Ų490%027%0.272CS..EExtended strand (participates in β ladder)trans-129.1115.6178.8-59.4178.3000110.1L26 I31 M48 T49 Y50 L51 L85 H87L26-I34 HydrophobicContact CD1-CD1 4.28Å; L26-I34 HydrophobicContact CD2-CD1 4.24Å; I31-I34 HydrophobicContact CG2-CG1 4.26Å; I34-M48 HydrophobicContact CD1-CB 4.22Å; I34-M48 HydrophobicContact CD1-CG 3.93Å; I34-M48 HydrophobicContact CD1-SD 4.43Å; I34-T49 PolarHBondContact N-O 3.32Å; I34-Y50 HydrophobicContact CB-CD1 3.77Å; I34-Y50 HydrophobicContact CB-CE1 3.54Å; I34-Y50 HydrophobicContact CD1-CE1 3.98Å; I34-Y50 HydrophobicContact CG1-CE1 4.28Å; I34-Y50 HydrophobicContact CG2-CD1 4Å; I34-Y50 HydrophobicContact CG2-CE1 3.64Å; I34-Y50 WeakPolarHBondContact O-CA 3.38Å; I34-L51 PolarHBondContact O-N 3.06Å; I34-L85 CarbonylContact C-O 3.59Å; I34-L85 WeakPolarHBondContact CA-O 3.4Å; I34-L85 HydrophobicContact CG1-CB 4.4Å; I34-H87 VanDerWaalsContact CG2-CD2 3.47Å; I34-H87 WeakPolarHBondContact CG2-CD2 3.42Å
35L98.9Very high97.5Very high0 Ų043.4 Ų43.40%025%0.246CC..EExtended strand (participates in β ladder)trans-90.6107166.8-165.6171.5000108.6V37 L51 L53 F73 M74 L85 V86 H87 L98L35-V37 HydrophobicContact CD2-CB 4.15Å; L35-V37 HydrophobicContact CD2-CG1 4.27Å; L35-L51 CarbonylContact C-O 3.56Å; L35-L51 WeakPolarHBondContact CA-O 3.38Å; L35-L51 HydrophobicContact CD1-CD2 4Å; L35-L51 HydrophobicContact CG-CB 4.23Å; L35-L51 HydrophobicContact CG-CD2 4.01Å; L35-L51 HydrophobicContact CG-CG 4.24Å; L35-L53 HydrophobicContact CD2-CD1 4.07Å; L35-L53 HydrophobicContact CD2-CG 4.49Å; L35-F73 HydrophobicContact CB-CD1 4.06Å; L35-F73 HydrophobicContact CB-CE1 4.03Å; L35-F73 HydrophobicContact CD1-CD1 4.44Å; L35-F73 HydrophobicContact CG-CD1 4.5Å; L35-M74 HydrophobicContact CD1-CE 4.37Å; L35-M74 HydrophobicContact CD1-CG 4.42Å; L35-L85 PolarHBondContact N-O 2.9Å; L35-V86 HydrophobicContact CB-CB 4.46Å; L35-V86 HydrophobicContact CB-CG1 4.19Å; L35-V86 HydrophobicContact CB-CG2 4.24Å; L35-V86 HydrophobicContact CD1-CG1 4.3Å; L35-V86 HydrophobicContact CD2-CG1 4.06Å; L35-V86 HydrophobicContact CG-CG1 4.4Å; L35-V86 WeakPolarHBondContact O-CA 3.33Å; L35-H87 PolarHBondContact O-N 3.39Å; L35-L98 HydrophobicContact CD1-CD1 4.28Å; L35-L98 HydrophobicContact CD2-CD1 3.68Å
36S98.8Very high97.4Very high3 Ų347.4 Ų47.42%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-102.4114.3-179.61760000110.5H38 A41 L51 C52 L53 H87S36-H38 PolarHBondContact OG-CD2 3.26Å; S36-H38 PolarHBondContact OG-NE2 3.23Å; S36-H38 VanDerWaalsContact OG-NE2 3.14Å; S36-A41 WeakPolarHBondContact O-CB 3.44Å; S36-A41 WeakPolarHBondContact OG-CB 3.43Å; S36-L51 PolarHBondContact N-O 2.95Å; S36-C52 WeakPolarHBondContact O-CA 3.35Å; S36-L53 PolarHBondContact O-N 3.39Å; S36-H87 VanDerWaalsContact CB-NE2 3.29Å; S36-H87 WeakPolarHBondContact CB-NE2 3.47Å; S36-H87 PolarHBondContact OG-CE1 2.86Å; S36-H87 PolarHBondContact OG-NE2 3.32Å
37V98.7Very high97.2Very high0 Ų052.3 Ų52.30%030%0.298CS..EExtended strand (participates in β ladder)trans-120.395.3178.358.50000112.1L35 L53 A55 L63 H87 C88 R94 L98L35-V37 HydrophobicContact CD2-CB 4.15Å; L35-V37 HydrophobicContact CD2-CG1 4.27Å; V37-L53 WeakPolarHBondContact CA-O 3.38Å; V37-L53 HydrophobicContact CB-CB 4.18Å; V37-L53 HydrophobicContact CG2-CB 4.05Å; V37-A55 HydrophobicContact CG2-CB 3.79Å; V37-L63 HydrophobicContact CG2-CD2 4.3Å; V37-H87 WeakPolarHBondContact CG1-O 3.11Å; V37-H87 PolarHBondContact N-O 3.45Å; V37-C88 HydrophobicContact CG1-CB 4.06Å; V37-C88 WeakPolarHBondContact O-CA 3.25Å; V37-C88 WeakPolarHBondContact O-CB 3.45Å; V37-R94 HydrophobicContact CG1-CB 3.91Å; V37-R94 HydrophobicContact CG2-CB 4.05Å; V37-L98 HydrophobicContact CB-CD1 4.1Å; V37-L98 HydrophobicContact CG1-CD1 3.88Å; V37-L98 HydrophobicContact CG2-CD1 4.29Å
38H97.7Very high97.2Very high14 Ų1450 Ų507%0.06528%0.275CS..SBendtrans-164.4175.1174.863.891000111.9F17 S36 C40 A41 L53 T54 A55 H87F17-H38 AromaticContact CD2-NE2 3.95Å; F17-H38 AromaticContact CE2-CE1 3.96Å; F17-H38 AromaticContact CE2-NE2 3.85Å; S36-H38 PolarHBondContact OG-CD2 3.26Å; S36-H38 PolarHBondContact OG-NE2 3.23Å; S36-H38 VanDerWaalsContact OG-NE2 3.14Å; H38-C40 PolarHBondContact CE1-O 2.86Å; H38-C40 VanDerWaalsContact CE1-O 3.26Å; H38-C40 PolarHBondContact ND1-N 3.38Å; H38-C40 PolarHBondContact O-N 2.94Å; H38-A41 PolarHBondContact CE1-N 3.11Å; H38-A41 PolarHBondContact ND1-N 2.94Å; H38-A41 WeakPolarHBondContact O-CB 3.5Å; H38-A41 PolarHBondContact O-N 3.28Å; H38-L53 PolarHBondContact N-O 2.89Å; H38-L53 VanDerWaalsContact N-O 3.14Å; H38-T54 WeakPolarHBondContact O-CA 3.4Å; H38-A55 CarbonylContact C-O 3.37Å; H38-A55 WeakPolarHBondContact CA-O 3.33Å; H38-A55 PolarHBondContact O-N 3.03Å; H38-H87 AromaticContact CD2-CE1 4Å
39E96.3Very high97.3Very high82 Ų8245.2 Ų45.238%0.38327%0.265SS..THydrogen-bonded Turntrans-60.5-21.3-170.4-62.985.7177.500115.2A55 T56 R94E39-A55 PolarHBondContact N-O 2.7Å; E39-T56 HydrophobicContact CG-CG2 3.62Å; E39-R94 IonicContact OE1-CZ 3.22Å; E39-R94 IonicContact OE1-NH1 3.5Å; E39-R94 PolarHBondContact OE1-NH1 2.85Å; E39-R94 IonicContact OE2-CZ 3.87Å; E39-R94 IonicContact OE2-NH1 3.02Å; E39-R94 PolarHBondContact OE2-NH1 2.83Å; E39-R94 IonicContact OE2-NH2 3.83Å
40C95.9Very high97.3Very high102 Ų10245.1 Ų45.169%0.68926%0.262SS*.THydrogen-bonded Turntrans-131.533.6-177.3-54.70000110.8H38 A42H38-C40 PolarHBondContact CE1-O 2.86Å; H38-C40 VanDerWaalsContact CE1-O 3.26Å; H38-C40 PolarHBondContact ND1-N 3.38Å; H38-C40 PolarHBondContact O-N 2.94Å; C40-A42 PolarHBondContact O-N 3.08Å
41A96.7Very high97.4Very high13 Ų1342.2 Ų42.211%0.10725%0.246CC..  trans-59.9122.6-179.300000110.1S36 H38 C52S36-A41 WeakPolarHBondContact O-CB 3.44Å; S36-A41 WeakPolarHBondContact OG-CB 3.43Å; H38-A41 PolarHBondContact CE1-N 3.11Å; H38-A41 PolarHBondContact ND1-N 2.94Å; H38-A41 WeakPolarHBondContact O-CB 3.5Å; H38-A41 PolarHBondContact O-N 3.28Å; A41-C52 HydrophobicContact CB-CB 3.95Å
42A96.8Very high97.4Very high49 Ų4944 Ų4441%0.40526%0.259SS..  trans-151.7153.1177.500000109.5C40 M44C40-A42 PolarHBondContact O-N 3.08Å; A42-M44 WeakPolarHBondContact O-CG 3.32Å; A42-M44 PolarHBondContact O-N 2.69Å
43P97.1Very high97.4Very high97 Ų9742.5 Ų42.563%0.6325%0.249SC*.  trans-54.6135.2171.9-26.436.1000111.5Y50P43-Y50 HydrophobicContact CB-CD2 3.69Å; P43-Y50 HydrophobicContact CB-CE2 4.03Å; P43-Y50 HydrophobicContact CB-CG 4.08Å; P43-Y50 HydrophobicContact CG-CD2 4.3Å; P43-Y50 HydrophobicContact CG-CG 4.3Å
44M94.2Very high97.4Very high68 Ų6846.7 Ų46.734%0.33528%0.275SS..  trans-120.7-33.8-169.1-80.1-135.151.600113.3F17 R21 A42 Y50F17-M44 HydrophobicContact CE2-SD 4.19Å; F17-M44 HydrophobicContact CZ-SD 4.31Å; R21-M44 HydrophobicContact CG-CE 3.89Å; R21-M44 HydrophobicContact CG-SD 4.02Å; R21-M44 VanDerWaalsContact CZ-SD 3.54Å; R21-M44 PolarHBondContact NE-SD 3.1Å; R21-M44 PolarHBondContact NH2-SD 2.73Å; A42-M44 WeakPolarHBondContact O-CG 3.32Å; A42-M44 PolarHBondContact O-N 2.69Å; M44-Y50 HydrophobicContact CB-CE1 4.49Å; M44-Y50 WeakPolarHBondContact CB-OH 3.39Å; M44-Y50 PolarHBondContact N-OH 2.96Å
45L95.8Very high97.3Very high10 Ų1046.7 Ų46.75%0.05228%0.276CS..  trans-123.7115.5-178-60.6177.3000108.2R23 L26 E47 M48 Y50R23-L45 HydrophobicContact CG-CD1 4.46Å; R23-L45 HydrophobicContact CG-CD2 4.47Å; L26-L45 HydrophobicContact CD1-CD1 3.4Å; L26-L45 VanDerWaalsContact CD1-CD1 3.4Å; L45-E47 PolarHBondContact O-N 2.92Å; L45-E47 VanDerWaalsContact O-N 3.11Å; L45-M48 HydrophobicContact CB-CB 4.3Å; L45-M48 HydrophobicContact CB-CG 3.71Å; L45-M48 HydrophobicContact CD1-CE 4.32Å; L45-M48 HydrophobicContact CD1-CG 4.05Å; L45-M48 PolarHBondContact O-N 2.88Å; L45-Y50 WeakPolarHBondContact CB-OH 3.31Å; L45-Y50 PolarHBondContact N-OH 3.06Å; L45-Y50 WeakPolarHBondContact O-CE2 3.35Å
46P94.3Very high97.3Very high126 Ų12648.9 Ų48.982%0.81829%0.289SS*.THydrogen-bonded Turntrans-61.4-23.1-173.524.9-35.3000114.1M48P46-M48 VanDerWaalsContact C-N 3.31Å
47E95.1Very high97.2Very high103 Ų10351.5 Ų51.548%0.48130%0.303SS..THydrogen-bonded Turntrans-77.9-10.4178.165.4-87-155.500114.4R23 L45R23-E47 IonicContact NE-OE1 3.94Å; R23-E47 PolarHBondContact NE-OE1 3.24Å; L45-E47 PolarHBondContact O-N 2.92Å; L45-E47 VanDerWaalsContact O-N 3.11Å
48M98Very high97.2Very high29 Ų2955.3 Ų55.314%0.14332%0.322CS..SBendtrans-102.4147.6-175.2-59.1-68.4169.800111.7L26 I31 T32 I34 L45 P46 Y50L26-M48 HydrophobicContact CB-CE 4.1Å; L26-M48 HydrophobicContact CD1-CE 4.05Å; I31-M48 WeakPolarHBondContact O-CE 3.31Å; I31-M48 VanDerWaalsContact O-SD 3.36Å; T32-M48 WeakPolarHBondContact O-CA 3.48Å; I34-M48 HydrophobicContact CD1-CB 4.22Å; I34-M48 HydrophobicContact CD1-CG 3.93Å; I34-M48 HydrophobicContact CD1-SD 4.43Å; L45-M48 HydrophobicContact CB-CB 4.3Å; L45-M48 HydrophobicContact CB-CG 3.71Å; L45-M48 HydrophobicContact CD1-CE 4.32Å; L45-M48 HydrophobicContact CD1-CG 4.05Å; L45-M48 PolarHBondContact O-N 2.88Å; P46-M48 VanDerWaalsContact C-N 3.31Å; M48-Y50 HydrophobicContact CB-CD2 4.18Å; M48-Y50 HydrophobicContact CB-CE2 3.54Å; M48-Y50 WeakPolarHBondContact O-CD2 3.39Å
49T98.6Very high97.2Very high73 Ų7358.5 Ų58.545%0.44834%0.344SS..EExtended strand (participates in β ladder)trans-86.8132.7168.6-59.40000109.5T32 H33 I34 F73T32-T49 PolarHBondContact O-N 2.91Å; H33-T49 CarbonylContact C-O 3.54Å; H33-T49 VanDerWaalsContact CA-O 3.3Å; H33-T49 WeakPolarHBondContact CA-O 3.5Å; I34-T49 PolarHBondContact N-O 3.32Å; T49-F73 HydrophobicContact CG2-CE2 4.09Å; T49-F73 HydrophobicContact CG2-CZ 4.5Å
50Y98.8Very high97.3Very high40 Ų4059.4 Ų59.416%0.15736%0.36CS..EExtended strand (participates in β ladder)trans-119.5142.9-175-76-90.3000113.8I34 P43 M44 L45 M48I34-Y50 HydrophobicContact CB-CD1 3.77Å; I34-Y50 HydrophobicContact CB-CE1 3.54Å; I34-Y50 HydrophobicContact CD1-CE1 3.98Å; I34-Y50 HydrophobicContact CG1-CE1 4.28Å; I34-Y50 HydrophobicContact CG2-CD1 4Å; I34-Y50 HydrophobicContact CG2-CE1 3.64Å; I34-Y50 WeakPolarHBondContact O-CA 3.38Å; P43-Y50 HydrophobicContact CB-CD2 3.69Å; P43-Y50 HydrophobicContact CB-CE2 4.03Å; P43-Y50 HydrophobicContact CB-CG 4.08Å; P43-Y50 HydrophobicContact CG-CD2 4.3Å; P43-Y50 HydrophobicContact CG-CG 4.3Å; M44-Y50 HydrophobicContact CB-CE1 4.49Å; M44-Y50 WeakPolarHBondContact CB-OH 3.39Å; M44-Y50 PolarHBondContact N-OH 2.96Å; L45-Y50 WeakPolarHBondContact CB-OH 3.31Å; L45-Y50 PolarHBondContact N-OH 3.06Å; L45-Y50 WeakPolarHBondContact O-CE2 3.35Å; M48-Y50 HydrophobicContact CB-CD2 4.18Å; M48-Y50 HydrophobicContact CB-CE2 3.54Å; M48-Y50 WeakPolarHBondContact O-CD2 3.39Å
51L98.8Very high97.4Very high27 Ų2756.3 Ų56.314%0.14134%0.335CS..EExtended strand (participates in β ladder)trans-114.2115.2152.717660.1000107.8I34 L35 S36 L53 E69 F73I34-L51 PolarHBondContact O-N 3.06Å; L35-L51 CarbonylContact C-O 3.56Å; L35-L51 WeakPolarHBondContact CA-O 3.38Å; L35-L51 HydrophobicContact CD1-CD2 4Å; L35-L51 HydrophobicContact CG-CB 4.23Å; L35-L51 HydrophobicContact CG-CD2 4.01Å; L35-L51 HydrophobicContact CG-CG 4.24Å; S36-L51 PolarHBondContact N-O 2.95Å; L51-L53 HydrophobicContact CD1-CD2 3.91Å; L51-L53 HydrophobicContact CG-CD2 4.07Å; L51-L53 HydrophobicContact CG-CG 4.19Å; L51-E69 HydrophobicContact CD2-CG 4.39Å; L51-F73 HydrophobicContact CB-CB 4.47Å; L51-F73 HydrophobicContact CB-CD1 3.99Å; L51-F73 HydrophobicContact CB-CD2 3.65Å; L51-F73 HydrophobicContact CB-CE1 4.07Å; L51-F73 HydrophobicContact CB-CE2 3.73Å; L51-F73 HydrophobicContact CB-CG 3.77Å; L51-F73 HydrophobicContact CB-CZ 3.94Å; L51-F73 HydrophobicContact CD2-CB 3.73Å; L51-F73 HydrophobicContact CD2-CD1 4.42Å; L51-F73 HydrophobicContact CD2-CD2 4.41Å; L51-F73 HydrophobicContact CD2-CG 3.95Å
52C98.7Very high97.5Very high42 Ų4258.7 Ų58.728%0.28435%0.346SS..EExtended strand (participates in β ladder)trans-109.6114.3-178.1-66.70000110.4S36 A41S36-C52 WeakPolarHBondContact O-CA 3.35Å; A41-C52 HydrophobicContact CB-CB 3.95Å
53L98.7Very high97.6Very high6 Ų656.3 Ų56.33%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-111.8117.8-179.9-55.4-180000109.9L35 S36 V37 H38 L51 A55 H66 E69 L98L35-L53 HydrophobicContact CD2-CD1 4.07Å; L35-L53 HydrophobicContact CD2-CG 4.49Å; S36-L53 PolarHBondContact O-N 3.39Å; V37-L53 WeakPolarHBondContact CA-O 3.38Å; V37-L53 HydrophobicContact CB-CB 4.18Å; V37-L53 HydrophobicContact CG2-CB 4.05Å; H38-L53 PolarHBondContact N-O 2.89Å; H38-L53 VanDerWaalsContact N-O 3.14Å; L51-L53 HydrophobicContact CD1-CD2 3.91Å; L51-L53 HydrophobicContact CG-CD2 4.07Å; L51-L53 HydrophobicContact CG-CG 4.19Å; L53-A55 PolarHBondContact O-N 3.48Å; L53-H66 HydrophobicContact CD1-CB 3.76Å; L53-E69 WeakPolarHBondContact CD2-OE1 3.13Å; L53-L98 HydrophobicContact CD1-CD1 3.88Å
54T98.2Very high97.6Very high96 Ų9653.4 Ų53.459%0.58931%0.307SS*.  trans-81.9103.2177.7-60.70000110H38H38-T54 WeakPolarHBondContact O-CA 3.4Å
55A97.9Very high97.8Very high1 Ų155.8 Ų55.81%0.00832%0.317CS..  trans-145139.2-178.300000113.1V37 H38 E39 L53 Q61 L63 R94V37-A55 HydrophobicContact CG2-CB 3.79Å; H38-A55 CarbonylContact C-O 3.37Å; H38-A55 WeakPolarHBondContact CA-O 3.33Å; H38-A55 PolarHBondContact O-N 3.03Å; E39-A55 PolarHBondContact N-O 2.7Å; L53-A55 PolarHBondContact O-N 3.48Å; A55-Q61 HydrophobicContact CB-CG 4.02Å; A55-L63 HydrophobicContact CB-CD2 3.65Å; A55-R94 WeakPolarHBondContact O-CD 3.38Å; A55-R94 PolarHBondContact O-NH1 2.88Å
56T97.6Very high98Very high46 Ų4656.6 Ų56.628%0.28232%0.321SS..  trans-88.1152.2175.454.70000111.7E39 I58 Q61E39-T56 HydrophobicContact CG-CG2 3.62Å; T56-I58 VanDerWaalsContact C-N 3.29Å; T56-I58 PolarHBondContact O-N 3.12Å; T56-I58 WeakPolarHBondContact OG1-CD1 3.33Å; T56-I58 WeakPolarHBondContact OG1-CG1 3.48Å; T56-Q61 WeakPolarHBondContact O-CB 3.42Å; T56-Q61 WeakPolarHBondContact O-CG 3.27Å; T56-Q61 PolarHBondContact OG1-OE1 2.95Å
57D98.2Very high98.2Very high57 Ų5750.7 Ų50.731%0.30528%0.282SS..SBendtrans-90.457.1177-159.62.4000112.6S93 R94 N128 F131D57-S93 WeakPolarHBondContact OD1-CB 3.34Å; D57-S93 PolarHBondContact OD1-OG 3.34Å; D57-S93 VanDerWaalsContact OD2-CB 3.24Å; D57-S93 WeakPolarHBondContact OD2-CB 3.48Å; D57-R94 HydrophobicContact CB-CG 4.29Å; D57-N128 PolarHBondContact OD1-ND2 3.2Å; D57-F131 WeakPolarHBondContact OD1-CE2 3.28Å
58I98.3Very high98.4Very high80 Ų8050.6 Ų50.641%0.4128%0.28SS..SBendtrans-121.5151.4178.465.4-176.9000110.2T56 S60 Q61T56-I58 VanDerWaalsContact C-N 3.29Å; T56-I58 PolarHBondContact O-N 3.12Å; T56-I58 WeakPolarHBondContact OG1-CD1 3.33Å; T56-I58 WeakPolarHBondContact OG1-CG1 3.48Å; I58-S60 VanDerWaalsContact CD1-OG 3.3Å; I58-S60 WeakPolarHBondContact CD1-OG 3.49Å; I58-S60 PolarHBondContact O-N 3.27Å; I58-S60 VanDerWaalsContact O-N 3.08Å; I58-Q61 HydrophobicContact CG1-CB 4.08Å; I58-Q61 WeakPolarHBondContact O-CB 3.45Å; I58-Q61 PolarHBondContact O-N 3.31Å; I58-Q61 VanDerWaalsContact O-N 3.07Å
59P97.8Very high98.4Very high81 Ų8153 Ų5353%0.52629%0.291SS..THydrogen-bonded Turntrans-59.4-22.3-178-28.236.7000115.7
60S97.5Very high98.4Very high102 Ų10249.6 Ų49.671%0.71327%0.27SS*.THydrogen-bonded Turntrans-88.8-7.2179.559.40000114.2I58 D62I58-S60 VanDerWaalsContact CD1-OG 3.3Å; I58-S60 WeakPolarHBondContact CD1-OG 3.49Å; I58-S60 PolarHBondContact O-N 3.27Å; I58-S60 VanDerWaalsContact O-N 3.08Å; S60-D62 PolarHBondContact O-N 3.32Å
61Q98.4Very high98.4Very high36 Ų3647.7 Ų47.717%0.16826%0.263CS..  trans-69.7127.8173.5174.970.958.300108.6A55 T56 I58 L63 F131 Q134A55-Q61 HydrophobicContact CB-CG 4.02Å; T56-Q61 WeakPolarHBondContact O-CB 3.42Å; T56-Q61 WeakPolarHBondContact O-CG 3.27Å; T56-Q61 PolarHBondContact OG1-OE1 2.95Å; I58-Q61 HydrophobicContact CG1-CB 4.08Å; I58-Q61 WeakPolarHBondContact O-CB 3.45Å; I58-Q61 PolarHBondContact O-N 3.31Å; I58-Q61 VanDerWaalsContact O-N 3.07Å; Q61-L63 HydrophobicContact CG-CD2 4.26Å; Q61-L63 HydrophobicContact CG-CG 4.45Å; Q61-F131 HydrophobicContact CB-CE1 4Å; Q61-F131 HydrophobicContact CB-CZ 4.22Å; Q61-F131 HydrophobicContact CG-CE1 4.24Å; Q61-F131 HydrophobicContact CG-CZ 4.33Å; Q61-F131 WeakPolarHBondContact O-CE1 3.35Å; Q61-Q134 PolarHBondContact O-NE2 2.99Å
62D98.4Very high98.4Very high63 Ų6348 Ų4834%0.33727%0.266SS..  trans-87.1117.6172.3-17915.5000110.5S60 T64 Q65S60-D62 PolarHBondContact O-N 3.32Å; D62-T64 WeakPolarHBondContact OD1-CB 3.33Å; D62-T64 PolarHBondContact OD1-N 2.86Å; D62-T64 PolarHBondContact OD1-OG1 3.12Å; D62-Q65 PolarHBondContact O-NE2 3.27Å
63L98.7Very high98.4Very high0 Ų047.4 Ų47.40%026%0.259CS..  trans-102.4-12.7172.2-70.4-175.8000113V37 A55 Q61 Q65 H66 F67 R94 T97 F131V37-L63 HydrophobicContact CG2-CD2 4.3Å; A55-L63 HydrophobicContact CB-CD2 3.65Å; Q61-L63 HydrophobicContact CG-CD2 4.26Å; Q61-L63 HydrophobicContact CG-CG 4.45Å; L63-Q65 VanDerWaalsContact C-N 3.27Å; L63-Q65 PolarHBondContact O-N 2.85Å; L63-H66 WeakPolarHBondContact O-CB 3.27Å; L63-H66 PolarHBondContact O-N 3.32Å; L63-F67 HydrophobicContact CB-CE1 4.14Å; L63-F67 WeakPolarHBondContact O-CD1 3.24Å; L63-F67 WeakPolarHBondContact O-CE1 3.46Å; L63-R94 HydrophobicContact CD1-CB 4.37Å; L63-R94 HydrophobicContact CD1-CG 4.37Å; L63-T97 HydrophobicContact CD1-CG2 4.05Å; L63-F131 HydrophobicContact CB-CE1 4.47Å; L63-F131 HydrophobicContact CD1-CD1 3.85Å; L63-F131 HydrophobicContact CD1-CD2 3.95Å; L63-F131 HydrophobicContact CD1-CE1 3.56Å; L63-F131 HydrophobicContact CD1-CE2 3.67Å; L63-F131 HydrophobicContact CD1-CG 4.06Å; L63-F131 HydrophobicContact CD1-CZ 3.48Å; L63-F131 VanDerWaalsContact CD1-CZ 3.48Å; L63-F131 HydrophobicContact CG-CD1 4.1Å; L63-F131 HydrophobicContact CG-CE1 3.61Å; L63-F131 HydrophobicContact CG-CZ 3.88Å
64T98.4Very high98.4Very high36 Ų3647.1 Ų47.122%0.22126%0.257CS..G310 helixtrans-62.3-37.2-177.266.30000111.6D62 H66 F67 Q134D62-T64 WeakPolarHBondContact OD1-CB 3.33Å; D62-T64 PolarHBondContact OD1-N 2.86Å; D62-T64 PolarHBondContact OD1-OG1 3.12Å; T64-H66 PolarHBondContact O-N 3.39Å; T64-F67 HydrophobicContact CG2-CE2 4.05Å; T64-F67 HydrophobicContact CG2-CZ 4.11Å; T64-F67 WeakPolarHBondContact O-CB 3.41Å; T64-F67 PolarHBondContact O-N 2.87Å; T64-Q134 HydrophobicContact CG2-CB 3.71Å; T64-Q134 HydrophobicContact CG2-CG 3.88Å
65Q98.1Very high98.5Very high118 Ų11842.6 Ų42.655%0.55123%0.229SC*.G310 helixtrans-54.5-24.4173.368.9-177.3-4700113.8D62 L63D62-Q65 PolarHBondContact O-NE2 3.27Å; L63-Q65 VanDerWaalsContact C-N 3.27Å; L63-Q65 PolarHBondContact O-N 2.85Å
66H98.8Very high98.5Very high27 Ų2746.8 Ų46.813%0.12525%0.249CC..G310 helixtrans-99.6-3.2-177.8-59.6-57.9000113.7L53 L63 T64 K68 E69 S70L53-H66 HydrophobicContact CD1-CB 3.76Å; L63-H66 WeakPolarHBondContact O-CB 3.27Å; L63-H66 PolarHBondContact O-N 3.32Å; T64-H66 PolarHBondContact O-N 3.39Å; H66-K68 PolarHBondContact O-N 2.87Å; H66-E69 HydrophobicContact CB-CG 4.44Å; H66-E69 IonicContact CE1-OE1 3.79Å; H66-E69 IonicContact CG-OE1 2.67Å; H66-E69 IonicContact ND1-OE1 2.76Å; H66-E69 PolarHBondContact ND1-OE1 3.37Å; H66-E69 VanDerWaalsContact O-CG 3.32Å; H66-E69 WeakPolarHBondContact O-CG 3.26Å; H66-S70 WeakPolarHBondContact O-CB 3.42Å; H66-S70 PolarHBondContact O-N 2.85Å; H66-S70 PolarHBondContact O-OG 3.43Å
67F98.8Very high98.5Very high1 Ų144.6 Ų44.60%0.00424%0.235CC..Hα-helixtrans-61-49.1-174.8-74.1-0.1000111.4L63 T64 E69 S70 I71 T97 L98 A101 L135 F138 F146L63-F67 HydrophobicContact CB-CE1 4.14Å; L63-F67 WeakPolarHBondContact O-CD1 3.24Å; L63-F67 WeakPolarHBondContact O-CE1 3.46Å; T64-F67 HydrophobicContact CG2-CE2 4.05Å; T64-F67 HydrophobicContact CG2-CZ 4.11Å; T64-F67 WeakPolarHBondContact O-CB 3.41Å; T64-F67 PolarHBondContact O-N 2.87Å; F67-E69 PolarHBondContact O-N 2.56Å; F67-S70 PolarHBondContact O-N 3.26Å; F67-I71 HydrophobicContact CB-CD1 4.34Å; F67-I71 WeakPolarHBondContact O-CB 3.4Å; F67-I71 WeakPolarHBondContact O-CD1 3.41Å; F67-I71 WeakPolarHBondContact O-CG1 3.35Å; F67-I71 PolarHBondContact O-N 3.46Å; F67-T97 HydrophobicContact CE1-CG2 4.13Å; F67-T97 HydrophobicContact CZ-CG2 4.21Å; F67-L98 HydrophobicContact CD1-CD2 3.85Å; F67-L98 HydrophobicContact CE1-CD2 4.05Å; F67-A101 HydrophobicContact CD1-CB 3.94Å; F67-A101 HydrophobicContact CD2-CB 3.76Å; F67-A101 HydrophobicContact CE1-CB 4.01Å; F67-A101 HydrophobicContact CE2-CB 3.83Å; F67-A101 HydrophobicContact CG-CB 3.82Å; F67-A101 HydrophobicContact CZ-CB 3.95Å; F67-L135 HydrophobicContact CE2-CD2 4.39Å; F67-L135 HydrophobicContact CZ-CD2 4.04Å; F67-F138 HydrophobicContact CD2-CD1 4.38Å; F67-F138 AromaticContact CD2-CD2 3.75Å; F67-F138 HydrophobicContact CD2-CD2 3.75Å; F67-F138 AromaticContact CD2-CE2 4Å; F67-F138 HydrophobicContact CD2-CE2 4Å; F67-F138 AromaticContact CD2-CG 3.97Å; F67-F138 HydrophobicContact CD2-CG 3.97Å; F67-F138 HydrophobicContact CD2-CZ 4.41Å; F67-F138 HydrophobicContact CE2-CB 3.94Å; F67-F138 HydrophobicContact CE2-CD1 4.18Å; F67-F138 AromaticContact CE2-CD2 4Å; F67-F138 HydrophobicContact CE2-CD2 4Å; F67-F138 AromaticContact CE2-CG 3.77Å; F67-F138 HydrophobicContact CE2-CG 3.77Å; F67-F146 HydrophobicContact CB-CE1 3.95Å; F67-F146 HydrophobicContact CB-CZ 4.29Å
68K98.7Very high98.5Very high102 Ų10242 Ų4244%0.44322%0.221SC..Hα-helixtrans-61.4-49.5-175.6-167167.5-172.1163.40112.6H66 S70 I71 T72 F146 W149H66-K68 PolarHBondContact O-N 2.87Å; K68-S70 VanDerWaalsContact C-N 3.33Å; K68-S70 PolarHBondContact O-N 3.21Å; K68-I71 PolarHBondContact O-N 2.97Å; K68-T72 PolarHBondContact O-N 3.41Å; K68-T72 PolarHBondContact O-OG1 3.01Å; K68-T72 VanDerWaalsContact O-OG1 3.08Å; K68-F146 HydrophobicContact CB-CE1 3.91Å; K68-F146 HydrophobicContact CB-CZ 4.12Å; K68-F146 HydrophobicContact CG-CE1 4.46Å; K68-W149 HydrophobicContact CG-CH2 3.9Å; K68-W149 HydrophobicContact CG-CZ2 4.06Å; K68-W149 HydrophobicContact CG-CZ3 4.19Å
69E98.8Very high98.5Very high80 Ų8041.7 Ų41.737%0.37422%0.22SC..Hα-helixtrans-65.2-36.1178.363.9179.615600112.6L51 L53 H66 F67 F73L51-E69 HydrophobicContact CD2-CG 4.39Å; L53-E69 WeakPolarHBondContact CD2-OE1 3.13Å; H66-E69 HydrophobicContact CB-CG 4.44Å; H66-E69 IonicContact CE1-OE1 3.79Å; H66-E69 IonicContact CG-OE1 2.67Å; H66-E69 IonicContact ND1-OE1 2.76Å; H66-E69 PolarHBondContact ND1-OE1 3.37Å; H66-E69 VanDerWaalsContact O-CG 3.32Å; H66-E69 WeakPolarHBondContact O-CG 3.26Å; F67-E69 PolarHBondContact O-N 2.56Å; E69-F73 VanDerWaalsContact O-CB 3.31Å; E69-F73 WeakPolarHBondContact O-CB 3.45Å; E69-F73 PolarHBondContact O-N 3.07Å
70S98.9Very high98.5Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-65.8-44.8177-60.70000111.3H66 F67 K68 F73 M74H66-S70 WeakPolarHBondContact O-CB 3.42Å; H66-S70 PolarHBondContact O-N 2.85Å; H66-S70 PolarHBondContact O-OG 3.43Å; F67-S70 PolarHBondContact O-N 3.26Å; K68-S70 VanDerWaalsContact C-N 3.33Å; K68-S70 PolarHBondContact O-N 3.21Å; S70-F73 PolarHBondContact O-N 2.92Å; S70-M74 VanDerWaalsContact C-CE 3.42Å; S70-M74 WeakPolarHBondContact O-CB 3.33Å; S70-M74 WeakPolarHBondContact O-CE 3.45Å; S70-M74 WeakPolarHBondContact O-CG 3.3Å; S70-M74 PolarHBondContact O-N 3.37Å
71I98.9Very high98.5Very high1 Ų140.9 Ų40.91%0.00521%0.207CC..Hα-helixtrans-61.5-48.9177.9-70.2164000110.5F67 K68 F73 M74 H75 Y102 T105 F146 W149 F150F67-I71 HydrophobicContact CB-CD1 4.34Å; F67-I71 WeakPolarHBondContact O-CB 3.4Å; F67-I71 WeakPolarHBondContact O-CD1 3.41Å; F67-I71 WeakPolarHBondContact O-CG1 3.35Å; F67-I71 PolarHBondContact O-N 3.46Å; K68-I71 PolarHBondContact O-N 2.97Å; I71-F73 PolarHBondContact O-N 3.06Å; I71-M74 PolarHBondContact O-N 2.73Å; I71-H75 VanDerWaalsContact O-CB 3.32Å; I71-H75 WeakPolarHBondContact O-CB 3.43Å; I71-H75 PolarHBondContact O-N 3.32Å; I71-Y102 HydrophobicContact CB-CD2 4.09Å; I71-Y102 HydrophobicContact CG1-CD2 3.98Å; I71-Y102 HydrophobicContact CG2-CD2 3.82Å; I71-Y102 HydrophobicContact CG2-CE2 4.07Å; I71-T105 HydrophobicContact CD1-CG2 4.35Å; I71-T105 WeakPolarHBondContact CD1-OG1 3.36Å; I71-T105 HydrophobicContact CG2-CG2 4.36Å; I71-F146 HydrophobicContact CD1-CD1 3.64Å; I71-F146 HydrophobicContact CD1-CE1 3.86Å; I71-W149 HydrophobicContact CB-CZ3 4.45Å; I71-W149 HydrophobicContact CG2-CH2 4.05Å; I71-W149 HydrophobicContact CG2-CZ3 3.78Å; I71-F150 HydrophobicContact CG2-CD2 4.08Å; I71-F150 HydrophobicContact CG2-CE2 4.35Å
72T98.9Very high98.5Very high34 Ų3441.8 Ų41.821%0.20921%0.212CC..Hα-helixtrans-57.1-50.7176.1-61.70000111K68 M74 H75 E76 W149K68-T72 PolarHBondContact O-N 3.41Å; K68-T72 PolarHBondContact O-OG1 3.01Å; K68-T72 VanDerWaalsContact O-OG1 3.08Å; T72-M74 PolarHBondContact O-N 3.13Å; T72-H75 PolarHBondContact O-N 3Å; T72-E76 HydrophobicContact CG2-CG 4.19Å; T72-E76 WeakPolarHBondContact CG2-OE1 3.45Å; T72-E76 WeakPolarHBondContact O-CB 3.4Å; T72-E76 WeakPolarHBondContact O-CG 3.36Å; T72-E76 PolarHBondContact O-N 3.45Å; T72-W149 WeakPolarHBondContact OG1-CH2 3.38Å
73F98.9Very high98.5Very high29 Ų2938.8 Ų38.813%0.12720%0.195CC..Hα-helixtrans-59.9-46.9-178.4-176.7-94.2000112.6H33 L35 T49 L51 E69 S70 I71 C77H33-F73 HydrophobicContact CB-CE1 3.84Å; H33-F73 HydrophobicContact CB-CZ 3.75Å; H33-F73 AromaticContact CD2-CE2 3.85Å; H33-F73 AromaticContact CD2-CZ 3.73Å; L35-F73 HydrophobicContact CB-CD1 4.06Å; L35-F73 HydrophobicContact CB-CE1 4.03Å; L35-F73 HydrophobicContact CD1-CD1 4.44Å; L35-F73 HydrophobicContact CG-CD1 4.5Å; T49-F73 HydrophobicContact CG2-CE2 4.09Å; T49-F73 HydrophobicContact CG2-CZ 4.5Å; L51-F73 HydrophobicContact CB-CB 4.47Å; L51-F73 HydrophobicContact CB-CD1 3.99Å; L51-F73 HydrophobicContact CB-CD2 3.65Å; L51-F73 HydrophobicContact CB-CE1 4.07Å; L51-F73 HydrophobicContact CB-CE2 3.73Å; L51-F73 HydrophobicContact CB-CG 3.77Å; L51-F73 HydrophobicContact CB-CZ 3.94Å; L51-F73 HydrophobicContact CD2-CB 3.73Å; L51-F73 HydrophobicContact CD2-CD1 4.42Å; L51-F73 HydrophobicContact CD2-CD2 4.41Å; L51-F73 HydrophobicContact CD2-CG 3.95Å; E69-F73 VanDerWaalsContact O-CB 3.31Å; E69-F73 WeakPolarHBondContact O-CB 3.45Å; E69-F73 PolarHBondContact O-N 3.07Å; S70-F73 PolarHBondContact O-N 2.92Å; I71-F73 PolarHBondContact O-N 3.06Å; F73-C77 WeakPolarHBondContact O-CB 3.11Å; F73-C77 PolarHBondContact O-N 2.89Å
74M98.8Very high98.5Very high0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-62.4-45.7176.9-75.1-178.9-8500111.6L12 L35 S70 I71 T72 R78 V86 V99 Y102L12-M74 HydrophobicContact CD1-CB 4.27Å; L12-M74 HydrophobicContact CD1-CG 3.9Å; L12-M74 HydrophobicContact CD1-SD 3.78Å; L35-M74 HydrophobicContact CD1-CE 4.37Å; L35-M74 HydrophobicContact CD1-CG 4.42Å; S70-M74 VanDerWaalsContact C-CE 3.42Å; S70-M74 WeakPolarHBondContact O-CB 3.33Å; S70-M74 WeakPolarHBondContact O-CE 3.45Å; S70-M74 WeakPolarHBondContact O-CG 3.3Å; S70-M74 PolarHBondContact O-N 3.37Å; I71-M74 PolarHBondContact O-N 2.73Å; T72-M74 PolarHBondContact O-N 3.13Å; M74-R78 VanDerWaalsContact O-CG 3.31Å; M74-R78 WeakPolarHBondContact O-CG 3.42Å; M74-R78 PolarHBondContact O-N 3.01Å; M74-V86 HydrophobicContact CG-CG2 3.97Å; M74-V86 HydrophobicContact SD-CG2 3.6Å; M74-V86 VanDerWaalsContact SD-CG2 3.6Å; M74-V99 HydrophobicContact SD-CG2 4.25Å; M74-Y102 HydrophobicContact CB-CD1 4.46Å; M74-Y102 HydrophobicContact CB-CD2 4.42Å; M74-Y102 HydrophobicContact CB-CE1 4.27Å; M74-Y102 HydrophobicContact CB-CE2 4.25Å; M74-Y102 HydrophobicContact CE-CD2 4.35Å; M74-Y102 HydrophobicContact CE-CG 3.99Å; M74-Y102 HydrophobicContact SD-CD1 4.09Å; M74-Y102 HydrophobicContact SD-CG 4.05Å
75H98.7Very high98.6Very high0 Ų037 Ų370%019%0.185CC..Hα-helixtrans-73-43.1-174.1-164.655.6000113I71 T72 C77 R78 L79 Y102 F150 Y154 N157 F159I71-H75 VanDerWaalsContact O-CB 3.32Å; I71-H75 WeakPolarHBondContact O-CB 3.43Å; I71-H75 PolarHBondContact O-N 3.32Å; T72-H75 PolarHBondContact O-N 3Å; H75-C77 VanDerWaalsContact C-N 3.28Å; H75-C77 PolarHBondContact O-N 3.43Å; H75-R78 PolarHBondContact O-N 3.37Å; H75-R78 VanDerWaalsContact O-N 3.12Å; H75-L79 WeakPolarHBondContact O-CG 3.47Å; H75-L79 PolarHBondContact O-N 2.82Å; H75-Y102 WeakPolarHBondContact CA-OH 3.44Å; H75-Y102 HydrophobicContact CB-CE2 3.87Å; H75-Y102 WeakPolarHBondContact CB-OH 3.39Å; H75-Y102 PolarHBondContact ND1-OH 3.38Å; H75-F150 HydrophobicContact CB-CE2 4.08Å; H75-F150 AromaticContact CD2-CE2 3.54Å; H75-F150 AromaticContact CD2-CZ 3.5Å; H75-F150 VanDerWaalsContact CD2-CZ 3.5Å; H75-F150 WeakPolarHBondContact CD2-CZ 3.46Å; H75-F150 AromaticContact CE1-CZ 3.4Å; H75-F150 VanDerWaalsContact CE1-CZ 3.4Å; H75-F150 WeakPolarHBondContact CE1-CZ 3.42Å; H75-F150 AromaticContact CG-CE2 3.57Å; H75-F150 AromaticContact CG-CZ 3.66Å; H75-F150 AromaticContact ND1-CE2 3.96Å; H75-F150 AromaticContact ND1-CZ 3.6Å; H75-F150 AromaticContact NE2-CE2 3.9Å; H75-F150 AromaticContact NE2-CZ 3.33Å; H75-F150 VanDerWaalsContact NE2-CZ 3.33Å; H75-F150 WeakPolarHBondContact NE2-CZ 3.34Å; H75-Y154 AromaticContact CD2-CD1 3.55Å; H75-Y154 AromaticContact CD2-CD2 3.43Å; H75-Y154 VanDerWaalsContact CD2-CD2 3.43Å; H75-Y154 WeakPolarHBondContact CD2-CD2 3.3Å; H75-Y154 AromaticContact CD2-CE1 3.7Å; H75-Y154 AromaticContact CD2-CE2 3.58Å; H75-Y154 AromaticContact CD2-CG 3.41Å; H75-Y154 VanDerWaalsContact CD2-CG 3.41Å; H75-Y154 AromaticContact CD2-CZ 3.71Å; H75-Y154 AromaticContact NE2-CD1 3.89Å; H75-Y154 AromaticContact NE2-CD2 3.88Å; H75-Y154 AromaticContact NE2-CG 3.55Å; H75-N157 PolarHBondContact CE1-OD1 3.14Å; H75-F159 AromaticContact CE1-CD2 3.66Å; H75-F159 AromaticContact CE1-CE2 3.73Å
76E98.6Very high98.6Very high90 Ų9031.4 Ų31.442%0.42116%0.159SC..Hα-helixtrans-65.1-33.3178.3-71-17517800112.4T72 K80 Y154T72-E76 HydrophobicContact CG2-CG 4.19Å; T72-E76 WeakPolarHBondContact CG2-OE1 3.45Å; T72-E76 WeakPolarHBondContact O-CB 3.4Å; T72-E76 WeakPolarHBondContact O-CG 3.36Å; T72-E76 PolarHBondContact O-N 3.45Å; E76-K80 WeakPolarHBondContact O-CG 3.42Å; E76-K80 PolarHBondContact O-N 3.02Å; E76-Y154 HydrophobicContact CG-CE1 4.25Å
77C98.6Very high98.6Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-59.8-51.8169.4178.80000110.9H33 F73 H75 L79 K80 E82 C84H33-C77 HydrophobicContact CB-CB 4.05Å; H33-C77 VanDerWaalsContact CB-SG 3.55Å; H33-C77 PolarHBondContact ND1-SG 3.5Å; H33-C77 VanDerWaalsContact ND1-SG 3.37Å; F73-C77 WeakPolarHBondContact O-CB 3.11Å; F73-C77 PolarHBondContact O-N 2.89Å; H75-C77 VanDerWaalsContact C-N 3.28Å; H75-C77 PolarHBondContact O-N 3.43Å; C77-L79 VanDerWaalsContact C-N 3.32Å; C77-L79 PolarHBondContact O-N 2.97Å; C77-K80 WeakPolarHBondContact O-CB 3.1Å; C77-K80 PolarHBondContact O-N 3.17Å; C77-K80 VanDerWaalsContact O-N 3.1Å; C77-E82 PolarHBondContact O-N 3.12Å; C77-E82 VanDerWaalsContact SG-C 3.55Å; C77-E82 PolarHBondContact SG-O 3.07Å; C77-C84 HydrophobicContact CB-CB 3.99Å
78R98.4Very high98.5Very high2 Ų230.4 Ų30.41%0.00815%0.154CC..Hα-helixtrans-61.1-40.5-178.6-67.6172.372.2-144.1-5.2111.9P10 D11 M74 H75 K80 G81 Y102 F159 D161P10-R78 PolarHBondContact O-NE 3.15Å; P10-R78 PolarHBondContact O-NH2 3.24Å; D11-R78 HydrophobicContact CB-CG 4.27Å; M74-R78 VanDerWaalsContact O-CG 3.31Å; M74-R78 WeakPolarHBondContact O-CG 3.42Å; M74-R78 PolarHBondContact O-N 3.01Å; H75-R78 PolarHBondContact O-N 3.37Å; H75-R78 VanDerWaalsContact O-N 3.12Å; R78-K80 PolarHBondContact O-N 2.87Å; R78-G81 PolarHBondContact O-N 2.67Å; R78-Y102 PolarHBondContact NH1-OH 3.44Å; R78-F159 HydrophobicContact CB-CE2 3.74Å; R78-F159 HydrophobicContact CB-CZ 3.82Å; R78-F159 WeakPolarHBondContact O-CZ 3.36Å; R78-D161 IonicContact CZ-OD1 3.36Å; R78-D161 IonicContact NH1-OD1 3.12Å; R78-D161 PolarHBondContact NH1-OD1 3.08Å; R78-D161 VanDerWaalsContact NH1-OD1 3.12Å; R78-D161 IonicContact NH1-OD2 3.2Å; R78-D161 PolarHBondContact NH1-OD2 3.36Å; R78-D161 IonicContact NH2-OD1 2.7Å; R78-D161 PolarHBondContact NH2-OD1 3.29Å; R78-D161 IonicContact NH2-OD2 3.93Å
79L98.2Very high98.5Very high73 Ų7329.4 Ų29.438%0.38215%0.153SC..Hα-helixtrans-60.7-24.7177.8-73.5176.3000113.4H75 C77 G81 Y154 P158 F159H75-L79 WeakPolarHBondContact O-CG 3.47Å; H75-L79 PolarHBondContact O-N 2.82Å; C77-L79 VanDerWaalsContact C-N 3.32Å; C77-L79 PolarHBondContact O-N 2.97Å; L79-G81 PolarHBondContact O-N 2.9Å; L79-Y154 HydrophobicContact CD1-CD1 3.7Å; L79-Y154 HydrophobicContact CD1-CE1 3.99Å; L79-P158 HydrophobicContact CD2-CG 4.16Å; L79-F159 HydrophobicContact CD2-CE2 3.78Å; L79-F159 HydrophobicContact CD2-CZ 4.1Å; L79-F159 HydrophobicContact CG-CE2 4.22Å
80K97.6Very high98.4Very high123 Ų12326.7 Ų26.754%0.53514%0.144SC..THydrogen-bonded Turntrans-79.8-3.8173.5-63.7167.6-171.8172.10113.3E76 C77 R78 E82E76-K80 WeakPolarHBondContact O-CG 3.42Å; E76-K80 PolarHBondContact O-N 3.02Å; C77-K80 WeakPolarHBondContact O-CB 3.1Å; C77-K80 PolarHBondContact O-N 3.17Å; C77-K80 VanDerWaalsContact O-N 3.1Å; R78-K80 PolarHBondContact O-N 2.87Å; K80-E82 VanDerWaalsContact C-N 3.29Å; K80-E82 HydrophobicContact CB-CB 4.33Å; K80-E82 HydrophobicContact CB-CG 3.86Å
81G97.6Very high98.3Very high43 Ų4326.7 Ų26.744%0.44314%0.144SC..THydrogen-bonded Turntrans72.825-170.700000112.7N30 R78 L79N30-G81 PolarHBondContact ND2-O 3.22Å; R78-G81 PolarHBondContact O-N 2.67Å; L79-G81 PolarHBondContact O-N 2.9Å
82E98.3Very high98.3Very high55 Ų5528.3 Ų28.326%0.25715%0.154SC..  trans-111.2148.8-175.7-66.7179.2-147.500111.6D11 T32 H33 C77 K80D11-E82 WeakPolarHBondContact CB-O 3.27Å; T32-E82 WeakPolarHBondContact CB-OE2 3.37Å; T32-E82 HydrophobicContact CG2-CG 4.44Å; T32-E82 WeakPolarHBondContact OG1-CB 3.31Å; T32-E82 PolarHBondContact OG1-OE2 3.12Å; H33-E82 IonicContact CE1-OE2 3.73Å; H33-E82 PolarHBondContact CE1-OE2 3.13Å; H33-E82 IonicContact ND1-OE2 2.68Å; H33-E82 PolarHBondContact ND1-OE2 3.5Å; C77-E82 PolarHBondContact O-N 3.12Å; C77-E82 VanDerWaalsContact SG-C 3.55Å; C77-E82 PolarHBondContact SG-O 3.07Å; K80-E82 VanDerWaalsContact C-N 3.29Å; K80-E82 HydrophobicContact CB-CB 4.33Å; K80-E82 HydrophobicContact CB-CG 3.86Å
83G98.6Very high98.3Very high0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-81.5131.2179.800000113.7D11 N30 I31 T32 H33D11-G83 WeakPolarHBondContact O-CA 3.36Å; N30-G83 VanDerWaalsContact O-CA 3.3Å; N30-G83 WeakPolarHBondContact O-CA 3.26Å; N30-G83 PolarHBondContact O-N 3.02Å; I31-G83 WeakPolarHBondContact CA-O 3.39Å; T32-G83 PolarHBondContact N-O 3.15Å; H33-G83 PolarHBondContact N-O 2.97Å
84C98.9Very high98.3Very high0 Ų025.8 Ų25.80%014%0.141CC..EExtended strand (participates in β ladder)trans-108.6122.4173-176.30000111.3D11 L12 Y13 H33 C77D11-C84 PolarHBondContact O-N 2.8Å; L12-C84 HydrophobicContact CD1-CB 4.24Å; Y13-C84 PolarHBondContact N-O 3.41Å; H33-C84 HydrophobicContact CB-CB 4.4Å; H33-C84 WeakPolarHBondContact O-CA 3.32Å; C77-C84 HydrophobicContact CB-CB 3.99Å
85L98.9Very high98.3Very high0 Ų025.8 Ų25.80%014%0.141CC..EExtended strand (participates in β ladder)trans-97.5123.6169.117664.2000110.7I5 A20 L26 I31 H33 I34 L35 H87I5-L85 HydrophobicContact CD1-CD1 4.33Å; I5-L85 HydrophobicContact CD1-CD2 4.19Å; I5-L85 HydrophobicContact CG1-CD1 4.35Å; I5-L85 HydrophobicContact CG2-CD1 4.2Å; A20-L85 HydrophobicContact CB-CD2 3.98Å; L26-L85 HydrophobicContact CD2-CD2 3.76Å; I31-L85 HydrophobicContact CD1-CB 4.14Å; I31-L85 HydrophobicContact CG2-CB 3.85Å; H33-L85 PolarHBondContact O-N 3.22Å; I34-L85 CarbonylContact C-O 3.59Å; I34-L85 WeakPolarHBondContact CA-O 3.4Å; I34-L85 HydrophobicContact CG1-CB 4.4Å; L35-L85 PolarHBondContact N-O 2.9Å; L85-H87 HydrophobicContact CG-CB 4.49Å
86V98.9Very high98.3Very high0 Ų025.8 Ų25.80%014%0.141CC..EExtended strand (participates in β ladder)trans-102.4122.3168.6-167.40000108.6L12 Y13 L14 G15 L35 M74 V99L12-V86 HydrophobicContact CD1-CG2 3.99Å; Y13-V86 PolarHBondContact O-N 3.37Å; L14-V86 WeakPolarHBondContact CA-O 3.06Å; L14-V86 HydrophobicContact CD2-CB 4.19Å; G15-V86 PolarHBondContact N-O 3.45Å; G15-V86 VanDerWaalsContact N-O 3.14Å; L35-V86 HydrophobicContact CB-CB 4.46Å; L35-V86 HydrophobicContact CB-CG1 4.19Å; L35-V86 HydrophobicContact CB-CG2 4.24Å; L35-V86 HydrophobicContact CD1-CG1 4.3Å; L35-V86 HydrophobicContact CD2-CG1 4.06Å; L35-V86 HydrophobicContact CG-CG1 4.4Å; L35-V86 WeakPolarHBondContact O-CA 3.33Å; M74-V86 HydrophobicContact CG-CG2 3.97Å; M74-V86 HydrophobicContact SD-CG2 3.6Å; M74-V86 VanDerWaalsContact SD-CG2 3.6Å; V86-V99 HydrophobicContact CB-CG2 3.86Å; V86-V99 HydrophobicContact CG1-CG2 4.07Å; V86-V99 HydrophobicContact CG2-CG2 3.79Å
87H98.7Very high98.3Very high5 Ų521.5 Ų21.52%0.02312%0.121CC..EExtended strand (participates in β ladder)trans-138.5155179.382.992.9000113G15 A20 I34 L35 S36 V37 H38 L85 S95G15-H87 WeakPolarHBondContact O-CA 3.44Å; G15-H87 WeakPolarHBondContact O-CB 3.44Å; A20-H87 HydrophobicContact CB-CB 4.41Å; A20-H87 VanDerWaalsContact CB-CD2 3.46Å; A20-H87 WeakPolarHBondContact CB-CD2 3.47Å; A20-H87 WeakPolarHBondContact CB-NE2 3.38Å; I34-H87 VanDerWaalsContact CG2-CD2 3.47Å; I34-H87 WeakPolarHBondContact CG2-CD2 3.42Å; L35-H87 PolarHBondContact O-N 3.39Å; S36-H87 VanDerWaalsContact CB-NE2 3.29Å; S36-H87 WeakPolarHBondContact CB-NE2 3.47Å; S36-H87 PolarHBondContact OG-CE1 2.86Å; S36-H87 PolarHBondContact OG-NE2 3.32Å; V37-H87 WeakPolarHBondContact CG1-O 3.11Å; V37-H87 PolarHBondContact N-O 3.45Å; H38-H87 AromaticContact CD2-CE1 4Å; L85-H87 HydrophobicContact CG-CB 4.49Å; H87-S95 VanDerWaalsContact C-CB 3.49Å
88C98Very high98.3Very high1 Ų121.6 Ų21.61%0.00712%0.121CC..  trans-126.5-156.9163.768.40000108.5N16 F17 V37 G91 R94 S95N16-C88 CarbonylContact C-O 3.25Å; F17-C88 PolarHBondContact N-O 2.85Å; F17-C88 VanDerWaalsContact N-O 3.12Å; V37-C88 HydrophobicContact CG1-CB 4.06Å; V37-C88 WeakPolarHBondContact O-CA 3.25Å; V37-C88 WeakPolarHBondContact O-CB 3.45Å; C88-G91 VanDerWaalsContact SG-CA 3.57Å; C88-G91 PolarHBondContact SG-N 3.34Å; C88-R94 HydrophobicContact CB-CB 3.86Å; C88-S95 PolarHBondContact SG-OG 3.04Å; C88-S95 VanDerWaalsContact SG-OG 3.4Å
89L97.1Very high98.3Very high82 Ų8221.5 Ų21.543%0.42912%0.12SC..SBendtrans-62.8-54177.5-171.863.4000111.9F17F17-L89 HydrophobicContact CB-CD1 4.25Å; F17-L89 PolarHBondContact N-O 3.22Å; F17-L89 VanDerWaalsContact N-O 3.12Å
90A97.1Very high98.4Very high22 Ų2218 Ų1818%0.18210%0.102CC..SBendtrans-102.7-13.9-175.500000114.2M1 V92 R122M1-A90 HydrophobicContact CE-CB 4.28Å; M1-A90 HydrophobicContact CG-CB 3.96Å; A90-V92 HydrophobicContact CB-CB 4.18Å; A90-V92 HydrophobicContact CB-CG2 3.81Å; A90-R122 PolarHBondContact O-NH2 3.37Å
91G97.3Very high98.4Very high0 Ų012.1 Ų12.10%08%0.077CC..SBendtrans60.244.2-168.200000112.3G15 C88 R122G15-G91 WeakPolarHBondContact O-CA 3.32Å; C88-G91 VanDerWaalsContact SG-CA 3.57Å; C88-G91 PolarHBondContact SG-N 3.34Å; G91-R122 PolarHBondContact O-NE 2.9Å; G91-R122 PolarHBondContact O-NH2 3.1Å
92V98.4Very high98.5Very high36 Ų3610.1 Ų10.122%0.2186%0.056CC..SBendtrans-120.5-45.1-174.1166.90000111.6A90 V96 C124 N126A90-V92 HydrophobicContact CB-CB 4.18Å; A90-V92 HydrophobicContact CB-CG2 3.81Å; V92-V96 WeakPolarHBondContact O-CB 3.25Å; V92-V96 VanDerWaalsContact O-CG2 3.26Å; V92-V96 WeakPolarHBondContact O-CG2 3.36Å; V92-C124 WeakPolarHBondContact CG1-O 3.49Å; V92-C124 HydrophobicContact CG2-CB 4.33Å; V92-N126 HydrophobicContact CG1-CB 4.15Å; V92-N126 CarbonylContact O-C 3.55Å; V92-N126 VanDerWaalsContact O-C 3.25Å; V92-N126 PolarHBondContact O-N 3.2Å
93S98.6Very high98.5Very high3 Ų37.5 Ų7.52%0.0214%0.043CC..SBendtrans-119.5-84.9-168.9175.10000111.9D57 S95 V96 T97 N128 F131D57-S93 WeakPolarHBondContact OD1-CB 3.34Å; D57-S93 PolarHBondContact OD1-OG 3.34Å; D57-S93 VanDerWaalsContact OD2-CB 3.24Å; D57-S93 WeakPolarHBondContact OD2-CB 3.48Å; S93-S95 PolarHBondContact O-N 3.45Å; S93-V96 WeakPolarHBondContact O-CA 3.4Å; S93-V96 WeakPolarHBondContact O-CB 3.4Å; S93-V96 PolarHBondContact O-N 3.49Å; S93-T97 PolarHBondContact O-N 2.85Å; S93-T97 PolarHBondContact O-OG1 3.19Å; S93-N128 PolarHBondContact OG-N 3.18Å; S93-F131 WeakPolarHBondContact OG-CD2 3.42Å; S93-F131 WeakPolarHBondContact OG-CE2 3.34Å
94R98.8Very high98.5Very high7 Ų77.5 Ų7.53%0.0264%0.043CC..Hα-helixtrans-42.4-56.9-178.1-69.3166.6-79.8-165-8.1115.5V37 E39 A55 D57 L63 C88 V96 T97 L98 F131V37-R94 HydrophobicContact CG1-CB 3.91Å; V37-R94 HydrophobicContact CG2-CB 4.05Å; E39-R94 IonicContact OE1-CZ 3.22Å; E39-R94 IonicContact OE1-NH1 3.5Å; E39-R94 PolarHBondContact OE1-NH1 2.85Å; E39-R94 IonicContact OE2-CZ 3.87Å; E39-R94 IonicContact OE2-NH1 3.02Å; E39-R94 PolarHBondContact OE2-NH1 2.83Å; E39-R94 IonicContact OE2-NH2 3.83Å; A55-R94 WeakPolarHBondContact O-CD 3.38Å; A55-R94 PolarHBondContact O-NH1 2.88Å; D57-R94 HydrophobicContact CB-CG 4.29Å; L63-R94 HydrophobicContact CD1-CB 4.37Å; L63-R94 HydrophobicContact CD1-CG 4.37Å; C88-R94 HydrophobicContact CB-CB 3.86Å; R94-V96 VanDerWaalsContact C-N 3.32Å; R94-V96 PolarHBondContact O-N 3.39Å; R94-T97 WeakPolarHBondContact O-CB 3.44Å; R94-T97 PolarHBondContact O-N 3.46Å; R94-L98 PolarHBondContact O-N 3.47Å; R94-F131 HydrophobicContact CB-CE2 4.37Å; R94-F131 HydrophobicContact CG-CE2 3.63Å; R94-F131 HydrophobicContact CG-CZ 3.94Å
95S98.8Very high98.5Very high0 Ų07.7 Ų7.70%05%0.045CC..Hα-helixtrans-67-34.2-17958.40000112.9H87 C88 S93 L98 V99H87-S95 VanDerWaalsContact C-CB 3.49Å; C88-S95 PolarHBondContact SG-OG 3.04Å; C88-S95 VanDerWaalsContact SG-OG 3.4Å; S93-S95 PolarHBondContact O-N 3.45Å; S95-L98 PolarHBondContact O-N 2.89Å; S95-V99 WeakPolarHBondContact O-CG2 3.42Å; S95-V99 PolarHBondContact O-N 3.25Å
96V98.8Very high98.4Very high0 Ų08.9 Ų8.90%05%0.051CC..Hα-helixtrans-65.9-41.8176.3171.30000110L14 V92 S93 R94 L98 V99 I100 L115 V118 A125 P127L14-V96 HydrophobicContact CD1-CG2 4.17Å; L14-V96 HydrophobicContact CD2-CG2 4.39Å; V92-V96 WeakPolarHBondContact O-CB 3.25Å; V92-V96 VanDerWaalsContact O-CG2 3.26Å; V92-V96 WeakPolarHBondContact O-CG2 3.36Å; S93-V96 WeakPolarHBondContact O-CA 3.4Å; S93-V96 WeakPolarHBondContact O-CB 3.4Å; S93-V96 PolarHBondContact O-N 3.49Å; R94-V96 VanDerWaalsContact C-N 3.32Å; R94-V96 PolarHBondContact O-N 3.39Å; V96-L98 PolarHBondContact O-N 2.91Å; V96-V99 PolarHBondContact O-N 3.23Å; V96-I100 HydrophobicContact CG1-CD1 3.65Å; V96-I100 HydrophobicContact CG1-CG1 4.26Å; V96-I100 VanDerWaalsContact O-CG1 3.3Å; V96-I100 WeakPolarHBondContact O-CG1 3.29Å; V96-I100 PolarHBondContact O-N 3.11Å; V96-L115 HydrophobicContact CG1-CD1 4.21Å; V96-V118 HydrophobicContact CG1-CG1 4.25Å; V96-A125 HydrophobicContact CG1-CB 3.91Å; V96-A125 HydrophobicContact CG2-CB 3.96Å; V96-P127 HydrophobicContact CB-CG 4.42Å; V96-P127 HydrophobicContact CG1-CG 3.8Å
97T98.9Very high98.1Very high0 Ų09 Ų90%05%0.051CC..Hα-helixtrans-56.6-47.4176.3-57.30000112L63 F67 S93 R94 V99 I100 A101 F131 L135L63-T97 HydrophobicContact CD1-CG2 4.05Å; F67-T97 HydrophobicContact CE1-CG2 4.13Å; F67-T97 HydrophobicContact CZ-CG2 4.21Å; S93-T97 PolarHBondContact O-N 2.85Å; S93-T97 PolarHBondContact O-OG1 3.19Å; R94-T97 WeakPolarHBondContact O-CB 3.44Å; R94-T97 PolarHBondContact O-N 3.46Å; T97-V99 PolarHBondContact O-N 3.22Å; T97-I100 PolarHBondContact O-N 2.88Å; T97-A101 PolarHBondContact O-N 2.82Å; T97-F131 HydrophobicContact CG2-CB 3.93Å; T97-F131 HydrophobicContact CG2-CG 4.29Å; T97-F131 WeakPolarHBondContact OG1-CB 3.49Å; T97-F131 WeakPolarHBondContact OG1-CD2 3.47Å; T97-L135 HydrophobicContact CG2-CD1 4.13Å; T97-L135 HydrophobicContact CG2-CD2 4.14Å; T97-L135 HydrophobicContact CG2-CG 4.05Å
98L98.9Very high97.7Very high1 Ų111.7 Ų11.71%0.0058%0.081CC..Hα-helixtrans-64.6-39.3179-60.3-180000112.1L35 V37 L53 F67 R94 S95 V96 A101 Y102L35-L98 HydrophobicContact CD1-CD1 4.28Å; L35-L98 HydrophobicContact CD2-CD1 3.68Å; V37-L98 HydrophobicContact CB-CD1 4.1Å; V37-L98 HydrophobicContact CG1-CD1 3.88Å; V37-L98 HydrophobicContact CG2-CD1 4.29Å; L53-L98 HydrophobicContact CD1-CD1 3.88Å; F67-L98 HydrophobicContact CD1-CD2 3.85Å; F67-L98 HydrophobicContact CE1-CD2 4.05Å; R94-L98 PolarHBondContact O-N 3.47Å; S95-L98 PolarHBondContact O-N 2.89Å; V96-L98 PolarHBondContact O-N 2.91Å; L98-A101 PolarHBondContact O-N 2.87Å; L98-Y102 PolarHBondContact O-N 2.95Å
99V98.9Very high97.7Very high0 Ų013 Ų130%09%0.088CC..Hα-helixtrans-67.9-35.6175.9169.80000112V8 L12 L14 M74 V86 S95 V96 T97 Y102 I103 V118V8-V99 HydrophobicContact CG1-CG1 3.99Å; V8-V99 HydrophobicContact CG2-CG1 4.43Å; L12-V99 HydrophobicContact CD2-CG1 4.29Å; L14-V99 HydrophobicContact CD1-CB 4.29Å; L14-V99 HydrophobicContact CD1-CG1 4.13Å; L14-V99 HydrophobicContact CD1-CG2 4.32Å; L14-V99 HydrophobicContact CD2-CB 4.32Å; L14-V99 HydrophobicContact CD2-CG2 3.67Å; L14-V99 HydrophobicContact CG-CB 4.44Å; L14-V99 HydrophobicContact CG-CG1 4.48Å; L14-V99 HydrophobicContact CG-CG2 3.93Å; M74-V99 HydrophobicContact SD-CG2 4.25Å; V86-V99 HydrophobicContact CB-CG2 3.86Å; V86-V99 HydrophobicContact CG1-CG2 4.07Å; V86-V99 HydrophobicContact CG2-CG2 3.79Å; S95-V99 WeakPolarHBondContact O-CG2 3.42Å; S95-V99 PolarHBondContact O-N 3.25Å; V96-V99 PolarHBondContact O-N 3.23Å; T97-V99 PolarHBondContact O-N 3.22Å; V99-Y102 WeakPolarHBondContact O-CB 3.47Å; V99-Y102 PolarHBondContact O-N 3.34Å; V99-I103 HydrophobicContact CG1-CD1 3.95Å; V99-I103 WeakPolarHBondContact O-CG1 3.35Å; V99-I103 PolarHBondContact O-N 3.07Å; V99-V118 HydrophobicContact CG1-CG2 4.07Å
100I98.9Very high97.7Very high0 Ų09.6 Ų9.60%07%0.073CC..Hα-helixtrans-64.5-48.7174.5-71.2163.5000110.5V96 T97 Y102 I103 M104 W111 A114 L115 V118 P127 L135V96-I100 HydrophobicContact CG1-CD1 3.65Å; V96-I100 HydrophobicContact CG1-CG1 4.26Å; V96-I100 VanDerWaalsContact O-CG1 3.3Å; V96-I100 WeakPolarHBondContact O-CG1 3.29Å; V96-I100 PolarHBondContact O-N 3.11Å; T97-I100 PolarHBondContact O-N 2.88Å; I100-Y102 PolarHBondContact O-N 2.86Å; I100-I103 PolarHBondContact O-N 3.06Å; I100-I103 VanDerWaalsContact O-N 3.07Å; I100-M104 HydrophobicContact CG2-CG 4.18Å; I100-M104 HydrophobicContact CG2-SD 3.7Å; I100-M104 VanDerWaalsContact O-CG 3.3Å; I100-M104 WeakPolarHBondContact O-CG 3.38Å; I100-M104 PolarHBondContact O-N 2.85Å; I100-W111 HydrophobicContact CG2-CB 4.07Å; I100-A114 HydrophobicContact CG2-CB 3.81Å; I100-L115 HydrophobicContact CD1-CB 3.78Å; I100-L115 HydrophobicContact CD1-CD1 3.79Å; I100-L115 HydrophobicContact CD1-CG 4.3Å; I100-L115 HydrophobicContact CG1-CB 4.42Å; I100-V118 HydrophobicContact CG1-CG2 4.38Å; I100-P127 HydrophobicContact CD1-CG 3.81Å; I100-L135 HydrophobicContact CB-CD1 4.14Å; I100-L135 HydrophobicContact CB-CD2 4.26Å; I100-L135 HydrophobicContact CD1-CD1 3.99Å; I100-L135 HydrophobicContact CG2-CD1 3.79Å; I100-L135 HydrophobicContact CG2-CD2 3.8Å; I100-L135 HydrophobicContact CG2-CG 4.37Å
101A98.9Very high97.8Very high0 Ų09.7 Ų9.70%07%0.068CC..Hα-helixtrans-57.7-36.9176.600000111.7F67 T97 L98 T105 L135 F138F67-A101 HydrophobicContact CD1-CB 3.94Å; F67-A101 HydrophobicContact CD2-CB 3.76Å; F67-A101 HydrophobicContact CE1-CB 4.01Å; F67-A101 HydrophobicContact CE2-CB 3.83Å; F67-A101 HydrophobicContact CG-CB 3.82Å; F67-A101 HydrophobicContact CZ-CB 3.95Å; T97-A101 PolarHBondContact O-N 2.82Å; L98-A101 PolarHBondContact O-N 2.87Å; A101-T105 WeakPolarHBondContact O-CB 3.3Å; A101-T105 PolarHBondContact O-N 3.26Å; A101-T105 VanDerWaalsContact O-N 3.13Å; A101-T105 PolarHBondContact O-OG1 3.36Å; A101-L135 HydrophobicContact CB-CD2 4.24Å; A101-F138 HydrophobicContact CB-CE1 4.49Å
102Y98.9Very high97.9Very high0 Ų013.5 Ų13.50%09%0.086CC..Hα-helixtrans-62.3-51.7172.1-175.1-122.2000112.4L9 L12 I71 M74 H75 R78 L98 V99 I100 M104 T105 L106L9-Y102 HydrophobicContact CD1-CE1 4.5Å; L12-Y102 HydrophobicContact CD2-CD1 3.64Å; L12-Y102 HydrophobicContact CD2-CE1 3.81Å; I71-Y102 HydrophobicContact CB-CD2 4.09Å; I71-Y102 HydrophobicContact CG1-CD2 3.98Å; I71-Y102 HydrophobicContact CG2-CD2 3.82Å; I71-Y102 HydrophobicContact CG2-CE2 4.07Å; M74-Y102 HydrophobicContact CB-CD1 4.46Å; M74-Y102 HydrophobicContact CB-CD2 4.42Å; M74-Y102 HydrophobicContact CB-CE1 4.27Å; M74-Y102 HydrophobicContact CB-CE2 4.25Å; M74-Y102 HydrophobicContact CE-CD2 4.35Å; M74-Y102 HydrophobicContact CE-CG 3.99Å; M74-Y102 HydrophobicContact SD-CD1 4.09Å; M74-Y102 HydrophobicContact SD-CG 4.05Å; H75-Y102 WeakPolarHBondContact CA-OH 3.44Å; H75-Y102 HydrophobicContact CB-CE2 3.87Å; H75-Y102 WeakPolarHBondContact CB-OH 3.39Å; H75-Y102 PolarHBondContact ND1-OH 3.38Å; R78-Y102 PolarHBondContact NH1-OH 3.44Å; L98-Y102 PolarHBondContact O-N 2.95Å; V99-Y102 WeakPolarHBondContact O-CB 3.47Å; V99-Y102 PolarHBondContact O-N 3.34Å; I100-Y102 PolarHBondContact O-N 2.86Å; Y102-M104 VanDerWaalsContact C-N 3.34Å; Y102-M104 PolarHBondContact O-N 3.08Å; Y102-T105 WeakPolarHBondContact O-CB 3.34Å; Y102-T105 PolarHBondContact O-N 3.36Å; Y102-L106 HydrophobicContact CD1-CD1 3.72Å; Y102-L106 HydrophobicContact CD2-CD1 4.2Å; Y102-L106 HydrophobicContact CD2-CG 4.22Å; Y102-L106 HydrophobicContact CE1-CD1 3.28Å; Y102-L106 HydrophobicContact CE1-CG 4.28Å; Y102-L106 HydrophobicContact CE2-CD1 3.81Å; Y102-L106 HydrophobicContact CE2-CD2 3.9Å; Y102-L106 HydrophobicContact CE2-CG 3.94Å; Y102-L106 HydrophobicContact CG-CD1 4.18Å; Y102-L106 VanDerWaalsContact O-CG 3.31Å; Y102-L106 WeakPolarHBondContact O-CG 3.2Å; Y102-L106 PolarHBondContact O-N 3.01Å
103I98.8Very high97.9Very high0 Ų015.4 Ų15.40%010%0.095CC..Hα-helixtrans-59-43.4178.7-68.7165.5000111.7V8 L9 V99 I100 T105 L106 T107 A114 V118 I165V8-I103 HydrophobicContact CG1-CD1 3.91Å; L9-I103 HydrophobicContact CD1-CG1 4.45Å; V99-I103 HydrophobicContact CG1-CD1 3.95Å; V99-I103 WeakPolarHBondContact O-CG1 3.35Å; V99-I103 PolarHBondContact O-N 3.07Å; I100-I103 PolarHBondContact O-N 3.06Å; I100-I103 VanDerWaalsContact O-N 3.07Å; I103-T105 PolarHBondContact O-N 3.47Å; I103-L106 PolarHBondContact O-N 3.47Å; I103-T107 HydrophobicContact CG2-CG2 4.44Å; I103-T107 WeakPolarHBondContact CG2-OG1 3.44Å; I103-T107 WeakPolarHBondContact O-CB 3.32Å; I103-T107 PolarHBondContact O-N 2.77Å; I103-T107 PolarHBondContact O-OG1 2.91Å; I103-A114 HydrophobicContact CB-CB 4.03Å; I103-A114 HydrophobicContact CG2-CB 3.65Å; I103-V118 HydrophobicContact CD1-CG2 3.59Å; I103-I165 HydrophobicContact CD1-CD1 3.96Å; I103-I165 HydrophobicContact CG1-CD1 4.06Å; I103-I165 HydrophobicContact CG2-CD1 4.01Å; I103-I165 HydrophobicContact CG2-CG1 3.97Å; I103-I165 HydrophobicContact CG2-CG2 4.38Å
104M98.8Very high97.9Very high0 Ų015.3 Ų15.30%09%0.094CC..Hα-helixtrans-63.2-28.6177-66.7168.170.700113.3I100 Y102 T107 W111 A114 L135 F138 E139 R147I100-M104 HydrophobicContact CG2-CG 4.18Å; I100-M104 HydrophobicContact CG2-SD 3.7Å; I100-M104 VanDerWaalsContact O-CG 3.3Å; I100-M104 WeakPolarHBondContact O-CG 3.38Å; I100-M104 PolarHBondContact O-N 2.85Å; Y102-M104 VanDerWaalsContact C-N 3.34Å; Y102-M104 PolarHBondContact O-N 3.08Å; M104-T107 CarbonylContact C-O 3.33Å; M104-W111 HydrophobicContact CE-CB 3.79Å; M104-W111 VanDerWaalsContact SD-CA 3.58Å; M104-W111 HydrophobicContact SD-CB 3.45Å; M104-W111 WeakPolarHBondContact SD-CB 3.45Å; M104-A114 HydrophobicContact CG-CB 4.01Å; M104-L135 HydrophobicContact SD-CD2 4.13Å; M104-F138 HydrophobicContact CB-CE1 4.24Å; M104-F138 HydrophobicContact CE-CD1 3.65Å; M104-F138 HydrophobicContact CE-CE1 4.12Å; M104-F138 HydrophobicContact SD-CD1 4.08Å; M104-F138 HydrophobicContact SD-CE1 4.37Å; M104-E139 HydrophobicContact CE-CB 3.61Å; M104-E139 HydrophobicContact CE-CG 4.11Å; M104-R147 PolarHBondContact O-NE 3.04Å; M104-R147 PolarHBondContact O-NH2 3.25Å
105T98.6Very high97.9Very high4 Ų415.2 Ų15.23%0.0259%0.094CC..Hα-helixtrans-77.6-36.4177.1-56.60000111.2I71 A101 Y102 I103 F146 R147 F150I71-T105 HydrophobicContact CD1-CG2 4.35Å; I71-T105 WeakPolarHBondContact CD1-OG1 3.36Å; I71-T105 HydrophobicContact CG2-CG2 4.36Å; A101-T105 WeakPolarHBondContact O-CB 3.3Å; A101-T105 PolarHBondContact O-N 3.26Å; A101-T105 VanDerWaalsContact O-N 3.13Å; A101-T105 PolarHBondContact O-OG1 3.36Å; Y102-T105 WeakPolarHBondContact O-CB 3.34Å; Y102-T105 PolarHBondContact O-N 3.36Å; I103-T105 PolarHBondContact O-N 3.47Å; T105-F146 HydrophobicContact CG2-CB 4.11Å; T105-R147 WeakPolarHBondContact O-CG 3.3Å; T105-F150 HydrophobicContact CG2-CB 3.78Å; T105-F150 HydrophobicContact CG2-CD2 4.08Å; T105-F150 HydrophobicContact CG2-CG 4.01Å
106L97Very high97.9Very high26 Ų2617.7 Ų17.714%0.13611%0.107CC..Hα-helixtrans-81.2-32.9-179.7-62.7177.9000113.5L9 Y102 I103 F150 D161L9-L106 HydrophobicContact CD1-CD1 4.07Å; Y102-L106 HydrophobicContact CD1-CD1 3.72Å; Y102-L106 HydrophobicContact CD2-CD1 4.2Å; Y102-L106 HydrophobicContact CD2-CG 4.22Å; Y102-L106 HydrophobicContact CE1-CD1 3.28Å; Y102-L106 HydrophobicContact CE1-CG 4.28Å; Y102-L106 HydrophobicContact CE2-CD1 3.81Å; Y102-L106 HydrophobicContact CE2-CD2 3.9Å; Y102-L106 HydrophobicContact CE2-CG 3.94Å; Y102-L106 HydrophobicContact CG-CD1 4.18Å; Y102-L106 VanDerWaalsContact O-CG 3.31Å; Y102-L106 WeakPolarHBondContact O-CG 3.2Å; Y102-L106 PolarHBondContact O-N 3.01Å; I103-L106 PolarHBondContact O-N 3.47Å; L106-F150 HydrophobicContact CD2-CD1 4.26Å; L106-F150 HydrophobicContact CD2-CD2 4.31Å; L106-F150 HydrophobicContact CD2-CE1 3.48Å; L106-F150 VanDerWaalsContact CD2-CE1 3.48Å; L106-F150 HydrophobicContact CD2-CE2 3.53Å; L106-F150 HydrophobicContact CD2-CZ 3.04Å; L106-D161 HydrophobicContact CB-CB 4.02Å; L106-D161 HydrophobicContact CD1-CB 4.08Å; L106-D161 WeakPolarHBondContact CD1-OD2 3.03Å
107T92.3Very high97.8Very high1 Ų117.7 Ų17.71%0.00611%0.107CC..SBendtrans-125.9132.5-171.373.30000106.6I103 M104 L109 D161 I165I103-T107 HydrophobicContact CG2-CG2 4.44Å; I103-T107 WeakPolarHBondContact CG2-OG1 3.44Å; I103-T107 WeakPolarHBondContact O-CB 3.32Å; I103-T107 PolarHBondContact O-N 2.77Å; I103-T107 PolarHBondContact O-OG1 2.91Å; M104-T107 CarbonylContact C-O 3.33Å; T107-L109 PolarHBondContact O-N 3.43Å; T107-L109 WeakPolarHBondContact OG1-CD1 3.38Å; T107-L109 WeakPolarHBondContact OG1-CG 3.23Å; T107-D161 HydrophobicContact CG2-CB 4.16Å; T107-I165 HydrophobicContact CG2-CB 4.39Å; T107-I165 HydrophobicContact CG2-CG1 3.95Å
108G91Very high97.8Very high62 Ų6217.7 Ų17.764%0.63911%0.107SC*.SBendtrans-62.914.1-178.200000115.6R147G108-R147 PolarHBondContact O-NH2 2.91Å
109L96.9Very high97.8Very high29 Ų2921.7 Ų21.715%0.15212%0.122CC..  trans-74.1149-179.1-59.8178.3000111.6T107 D113 R147 I165 L169T107-L109 PolarHBondContact O-N 3.43Å; T107-L109 WeakPolarHBondContact OG1-CD1 3.38Å; T107-L109 WeakPolarHBondContact OG1-CG 3.23Å; L109-D113 HydrophobicContact CB-CB 4.18Å; L109-D113 HydrophobicContact CD1-CB 4.44Å; L109-D113 HydrophobicContact CD2-CB 4.42Å; L109-R147 PolarHBondContact O-NH2 3.12Å; L109-I165 HydrophobicContact CD1-CB 4.34Å; L109-I165 HydrophobicContact CD1-CG2 3.38Å; L109-L169 HydrophobicContact CD1-CD1 4.24Å
110G98.3Very high97.7Very high11 Ų1123.6 Ų23.611%0.11313%0.134CC..  trans-74.1170.6167.700000112.6Q112 D113 A114 E139G110-Q112 VanDerWaalsContact C-N 3.33Å; G110-Q112 PolarHBondContact O-N 2.68Å; G110-D113 PolarHBondContact O-N 3.04Å; G110-A114 PolarHBondContact O-N 3.48Å; G110-A114 VanDerWaalsContact O-N 3.08Å; G110-E139 WeakPolarHBondContact CA-OE1 3.5Å; G110-E139 WeakPolarHBondContact CA-OE2 3.44Å
111W98.7Very high97.5Very high24 Ų2425 Ų259%0.09114%0.142CC..Hα-helixtrans-68.1-31.4-173.676.8-94.1000112.9I100 M104 L115 Q132 L135 E139I100-W111 HydrophobicContact CG2-CB 4.07Å; M104-W111 HydrophobicContact CE-CB 3.79Å; M104-W111 VanDerWaalsContact SD-CA 3.58Å; M104-W111 HydrophobicContact SD-CB 3.45Å; M104-W111 WeakPolarHBondContact SD-CB 3.45Å; W111-L115 HydrophobicContact CE3-CB 4.45Å; W111-L115 HydrophobicContact CE3-CD2 4.28Å; W111-L115 HydrophobicContact CZ3-CD2 3.73Å; W111-L115 VanDerWaalsContact O-CB 3.29Å; W111-L115 WeakPolarHBondContact O-CB 3.38Å; W111-L115 PolarHBondContact O-N 3.02Å; W111-Q132 HydrophobicContact CH2-CB 3.97Å; W111-Q132 HydrophobicContact CH2-CG 4.01Å; W111-Q132 HydrophobicContact CZ2-CB 4.44Å; W111-Q132 HydrophobicContact CZ3-CB 4.23Å; W111-Q132 HydrophobicContact CZ3-CG 3.95Å; W111-L135 HydrophobicContact CB-CB 3.76Å; W111-L135 HydrophobicContact CD2-CB 4.25Å; W111-L135 HydrophobicContact CE3-CD1 4.43Å; W111-L135 HydrophobicContact CG-CB 3.87Å; W111-E139 PolarHBondContact N-OE2 2.9Å
112Q98.6Very high97.4Very high80 Ų8025 Ų2537%0.37414%0.143SC..Hα-helixtrans-66.4-43177.8-64.694.6-6.600111.1G110 L115 N116G110-Q112 VanDerWaalsContact C-N 3.33Å; G110-Q112 PolarHBondContact O-N 2.68Å; Q112-L115 PolarHBondContact O-N 3.26Å; Q112-N116 WeakPolarHBondContact O-CB 3.16Å; Q112-N116 PolarHBondContact O-N 3.46Å; Q112-N116 PolarHBondContact O-ND2 3.16Å
113D98.4Very high97.3Very high76 Ų7630.2 Ų30.241%0.40618%0.176SC..Hα-helixtrans-67.3-42.2177.9-73.9-26.5000111.3L109 G110 L115 N116 A117L109-D113 HydrophobicContact CB-CB 4.18Å; L109-D113 HydrophobicContact CD1-CB 4.44Å; L109-D113 HydrophobicContact CD2-CB 4.42Å; G110-D113 PolarHBondContact O-N 3.04Å; D113-L115 PolarHBondContact O-N 3.46Å; D113-N116 PolarHBondContact O-N 3.35Å; D113-A117 PolarHBondContact O-N 2.93Å
114A98.6Very high97.2Very high0 Ų032.3 Ų32.30%019%0.19CC..Hα-helixtrans-60.2-43.2172.800000112.1I100 I103 M104 G110 A117 V118I100-A114 HydrophobicContact CG2-CB 3.81Å; I103-A114 HydrophobicContact CB-CB 4.03Å; I103-A114 HydrophobicContact CG2-CB 3.65Å; M104-A114 HydrophobicContact CG-CB 4.01Å; G110-A114 PolarHBondContact O-N 3.48Å; G110-A114 VanDerWaalsContact O-N 3.08Å; A114-A117 PolarHBondContact O-N 3.49Å; A114-V118 WeakPolarHBondContact O-CG2 3.46Å; A114-V118 PolarHBondContact O-N 3.4Å
115L98.7Very high97.2Very high5 Ų532.3 Ų32.33%0.02619%0.191CC..Hα-helixtrans-62.8-42.7174.217458.8000111.8V96 I100 W111 Q112 D113 A117 V118 R119 A125 P127V96-L115 HydrophobicContact CG1-CD1 4.21Å; I100-L115 HydrophobicContact CD1-CB 3.78Å; I100-L115 HydrophobicContact CD1-CD1 3.79Å; I100-L115 HydrophobicContact CD1-CG 4.3Å; I100-L115 HydrophobicContact CG1-CB 4.42Å; W111-L115 HydrophobicContact CE3-CB 4.45Å; W111-L115 HydrophobicContact CE3-CD2 4.28Å; W111-L115 HydrophobicContact CZ3-CD2 3.73Å; W111-L115 VanDerWaalsContact O-CB 3.29Å; W111-L115 WeakPolarHBondContact O-CB 3.38Å; W111-L115 PolarHBondContact O-N 3.02Å; Q112-L115 PolarHBondContact O-N 3.26Å; D113-L115 PolarHBondContact O-N 3.46Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 2.63Å; L115-V118 PolarHBondContact O-N 3.16Å; L115-R119 HydrophobicContact CD1-CG 4.17Å; L115-R119 WeakPolarHBondContact O-CG 3.45Å; L115-R119 PolarHBondContact O-N 2.94Å; L115-A125 HydrophobicContact CD1-CB 4.29Å; L115-P127 HydrophobicContact CD1-CG 4.38Å
116N98.4Very high97.2Very high52 Ų5236 Ų3628%0.27821%0.21SC..Hα-helixtrans-61.8-43177.9-72.8-24.8000111Q112 D113 V118 R119 V120 L169 L172Q112-N116 WeakPolarHBondContact O-CB 3.16Å; Q112-N116 PolarHBondContact O-N 3.46Å; Q112-N116 PolarHBondContact O-ND2 3.16Å; D113-N116 PolarHBondContact O-N 3.35Å; N116-V118 PolarHBondContact O-N 2.93Å; N116-R119 PolarHBondContact O-N 3.49Å; N116-V120 WeakPolarHBondContact O-CG2 3.12Å; N116-V120 PolarHBondContact O-N 2.8Å; N116-L169 HydrophobicContact CB-CD2 3.9Å; N116-L172 HydrophobicContact CB-CD1 4.25Å
117A98.3Very high97.3Very high0 Ų034.8 Ų34.80%020%0.204CC..Hα-helixtrans-60.6-43.4174.200000112.3D113 A114 L115 R119 V120 I165 L168 L169D113-A117 PolarHBondContact O-N 2.93Å; A114-A117 PolarHBondContact O-N 3.49Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A117 PolarHBondContact O-N 2.63Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 2.97Å; A117-V120 WeakPolarHBondContact O-CB 3.46Å; A117-V120 PolarHBondContact O-N 3.33Å; A117-I165 HydrophobicContact CB-CD1 4.37Å; A117-I165 HydrophobicContact CB-CG2 3.69Å; A117-L168 HydrophobicContact CB-CB 4.42Å; A117-L169 HydrophobicContact CB-CD2 3.99Å; A117-L169 HydrophobicContact CB-CG 4.11Å
118V98.3Very high97.6Very high0 Ų036 Ų360%021%0.21CC..Hα-helixtrans-63-39.4175.1173.40000111.4V8 L14 V96 V99 I100 I103 A114 L115 N116 V120 V121 R122 A125V8-V118 HydrophobicContact CG1-CG2 4.11Å; L14-V118 HydrophobicContact CD1-CG1 3.54Å; V96-V118 HydrophobicContact CG1-CG1 4.25Å; V99-V118 HydrophobicContact CG1-CG2 4.07Å; I100-V118 HydrophobicContact CG1-CG2 4.38Å; I103-V118 HydrophobicContact CD1-CG2 3.59Å; A114-V118 WeakPolarHBondContact O-CG2 3.46Å; A114-V118 PolarHBondContact O-N 3.4Å; L115-V118 PolarHBondContact O-N 3.16Å; N116-V118 PolarHBondContact O-N 2.93Å; V118-V120 VanDerWaalsContact C-N 3.28Å; V118-V120 PolarHBondContact O-N 2.78Å; V118-V121 VanDerWaalsContact O-CG2 3.25Å; V118-V121 WeakPolarHBondContact O-CG2 3.26Å; V118-V121 PolarHBondContact O-N 3.48Å; V118-R122 PolarHBondContact O-N 2.74Å; V118-A125 HydrophobicContact CG1-CB 3.76Å
119R97.8Very high98Very high85 Ų8538.5 Ų38.532%0.32121%0.208SC..Hα-helixtrans-64.4-28.9179.4-79.9175.3171.7162.5-3113.6L115 N116 A117 V121 R122 P123 A125 N126L115-R119 HydrophobicContact CD1-CG 4.17Å; L115-R119 WeakPolarHBondContact O-CG 3.45Å; L115-R119 PolarHBondContact O-N 2.94Å; N116-R119 PolarHBondContact O-N 3.49Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 2.97Å; R119-V121 PolarHBondContact O-N 3.01Å; R119-R122 CarbonylContact O-C 3.38Å; R119-R122 PolarHBondContact O-N 3.01Å; R119-P123 WeakPolarHBondContact O-CA 3.37Å; R119-A125 HydrophobicContact CG-CB 3.97Å; R119-A125 PolarHBondContact NE-O 3.35Å; R119-N126 PolarHBondContact NH2-OD1 3.4Å; R119-N126 VanDerWaalsContact NH2-OD1 3.1Å
120V97.1Very high98.1Very high40 Ų4037.4 Ų37.424%0.24220%0.204CC..Hα-helixtrans-56.5-40.4174.7171.80000111.3N116 A117 V118 L168 R171 L172N116-V120 WeakPolarHBondContact O-CG2 3.12Å; N116-V120 PolarHBondContact O-N 2.8Å; A117-V120 WeakPolarHBondContact O-CB 3.46Å; A117-V120 PolarHBondContact O-N 3.33Å; V118-V120 VanDerWaalsContact C-N 3.28Å; V118-V120 PolarHBondContact O-N 2.78Å; V120-L168 HydrophobicContact CB-CB 4.48Å; V120-L168 HydrophobicContact CG1-CB 4.42Å; V120-L168 HydrophobicContact CG1-CD2 4.18Å; V120-L168 WeakPolarHBondContact CG2-O 3.38Å; V120-R171 HydrophobicContact CG1-CB 4.06Å; V120-L172 HydrophobicContact CG2-CD2 3.59Å; V120-L172 HydrophobicContact CG2-CG 3.89Å
121V96.1Very high98.1Very high30 Ų3036.9 Ų36.918%0.18220%0.199CC..Hα-helixtrans-98.3-23.4-178.5-60.80000113.1N6 K7 V8 V118 R119 L168N6-V121 VanDerWaalsContact CG-O 3.3Å; N6-V121 PolarHBondContact ND2-O 3.39Å; K7-V121 WeakPolarHBondContact O-CG1 3.28Å; V8-V121 HydrophobicContact CG2-CG2 4.15Å; V118-V121 VanDerWaalsContact O-CG2 3.25Å; V118-V121 WeakPolarHBondContact O-CG2 3.26Å; V118-V121 PolarHBondContact O-N 3.48Å; R119-V121 PolarHBondContact O-N 3.01Å; V121-L168 HydrophobicContact CG1-CD1 4.33Å; V121-L168 HydrophobicContact CG1-CD2 3.72Å
122R97Very high98.1Very high1 Ų137.8 Ų37.80%0.00420%0.204CC..  trans-136.982.4179.4-168.9166.5-176.793.1-4.6110.6G4 N6 A90 G91 V118 R119 C124 A125G4-R122 PolarHBondContact O-NH1 3.19Å; N6-R122 HydrophobicContact CB-CB 4.26Å; N6-R122 WeakPolarHBondContact OD1-CG 3.43Å; N6-R122 PolarHBondContact OD1-NH1 3.22Å; A90-R122 PolarHBondContact O-NH2 3.37Å; G91-R122 PolarHBondContact O-NE 2.9Å; G91-R122 PolarHBondContact O-NH2 3.1Å; V118-R122 PolarHBondContact O-N 2.74Å; R119-R122 CarbonylContact O-C 3.38Å; R119-R122 PolarHBondContact O-N 3.01Å; R122-C124 PolarHBondContact O-N 3.11Å; R122-A125 WeakPolarHBondContact O-CB 3.43Å; R122-A125 PolarHBondContact O-N 3.37Å
123P96.6Very high98.1Very high109 Ų10942.7 Ų42.771%0.70822%0.219SC*.THydrogen-bonded Turntrans-58.8-23.1-173.6-28.736.1000115.3R119 A125R119-P123 WeakPolarHBondContact O-CA 3.37Å; P123-A125 PolarHBondContact O-N 3.06Å
124C96.7Very high98.1Very high43 Ų4340.1 Ų40.129%0.29121%0.205SC..THydrogen-bonded Turntrans-78-0.3175.869.10000114.1V92 R122 N126V92-C124 WeakPolarHBondContact CG1-O 3.49Å; V92-C124 HydrophobicContact CG2-CB 4.33Å; R122-C124 PolarHBondContact O-N 3.11Å; C124-N126 PolarHBondContact O-N 3.03Å
125A98.4Very high98.1Very high1 Ų140.1 Ų40.11%0.00821%0.205CC..  trans-63.4117.3178.100000111.1V96 L115 V118 R119 R122 P123V96-A125 HydrophobicContact CG1-CB 3.91Å; V96-A125 HydrophobicContact CG2-CB 3.96Å; L115-A125 HydrophobicContact CD1-CB 4.29Å; V118-A125 HydrophobicContact CG1-CB 3.76Å; R119-A125 HydrophobicContact CG-CB 3.97Å; R119-A125 PolarHBondContact NE-O 3.35Å; R122-A125 WeakPolarHBondContact O-CB 3.43Å; R122-A125 PolarHBondContact O-N 3.37Å; P123-A125 PolarHBondContact O-N 3.06Å
126N98.4Very high98.1Very high82 Ų8242.6 Ų42.644%0.43922%0.216SC..  trans-159.684.4-177.1-164.839.2000110.4V92 R119 C124V92-N126 HydrophobicContact CG1-CB 4.15Å; V92-N126 CarbonylContact O-C 3.55Å; V92-N126 VanDerWaalsContact O-C 3.25Å; V92-N126 PolarHBondContact O-N 3.2Å; R119-N126 PolarHBondContact NH2-OD1 3.4Å; R119-N126 VanDerWaalsContact NH2-OD1 3.1Å; C124-N126 PolarHBondContact O-N 3.03Å
127P98.8Very high98.2Very high0 Ų045.7 Ų45.70%023%0.229CC..  trans-49.4141.5169.5-26.536.2000111.3V96 I100 L115 F131 Q132V96-P127 HydrophobicContact CB-CG 4.42Å; V96-P127 HydrophobicContact CG1-CG 3.8Å; I100-P127 HydrophobicContact CD1-CG 3.81Å; L115-P127 HydrophobicContact CD1-CG 4.38Å; P127-F131 HydrophobicContact CB-CB 4.03Å; P127-Q132 HydrophobicContact CB-CG 4.04Å; P127-Q132 PolarHBondContact O-NE2 2.98Å
128N98.8Very high98.2Very high27 Ų2745.8 Ų45.814%0.14423%0.229CC..  trans-62.1161.8172.677.949.2000110.6D57 S93 G130 F131 Q132D57-N128 PolarHBondContact OD1-ND2 3.2Å; S93-N128 PolarHBondContact OG-N 3.18Å; N128-G130 PolarHBondContact O-N 3.23Å; N128-G130 WeakPolarHBondContact OD1-CA 3.29Å; N128-G130 PolarHBondContact OD1-N 3.38Å; N128-F131 WeakPolarHBondContact ND2-CD2 3.4Å; N128-F131 WeakPolarHBondContact ND2-CE2 3.43Å; N128-F131 WeakPolarHBondContact ND2-CZ 3.33Å; N128-F131 PolarHBondContact O-N 3.25Å; N128-F131 VanDerWaalsContact O-N 3.08Å; N128-F131 PolarHBondContact OD1-N 2.73Å; N128-Q132 PolarHBondContact O-N 3.1Å
129L98.6Very high98.2Very high114 Ų11448.7 Ų48.760%0.59724%0.243SC*.Hα-helixtrans-61.2-29.2-174.4-67.3176.5000114R133L129-R133 WeakPolarHBondContact O-CG 3.46Å; L129-R133 PolarHBondContact O-N 3.4Å; L129-R133 VanDerWaalsContact O-N 3.11Å
130G98.8Very high98.2Very high6 Ų650 Ų506%0.06226%0.256CS..Hα-helixtrans-69.3-42.4175.100000111.7N128 R133 Q134N128-G130 PolarHBondContact O-N 3.23Å; N128-G130 WeakPolarHBondContact OD1-CA 3.29Å; N128-G130 PolarHBondContact OD1-N 3.38Å; G130-R133 WeakPolarHBondContact O-CB 3.47Å; G130-R133 PolarHBondContact O-N 3.14Å; G130-Q134 WeakPolarHBondContact O-CG 3.46Å; G130-Q134 PolarHBondContact O-N 3.27Å
131F98.9Very high98.3Very high0 Ų051.8 Ų51.80%027%0.267CS..Hα-helixtrans-67.9-34.2174.8-60.8-22000112.9D57 Q61 L63 S93 R94 T97 P127 N128 R133 Q134 L135D57-F131 WeakPolarHBondContact OD1-CE2 3.28Å; Q61-F131 HydrophobicContact CB-CE1 4Å; Q61-F131 HydrophobicContact CB-CZ 4.22Å; Q61-F131 HydrophobicContact CG-CE1 4.24Å; Q61-F131 HydrophobicContact CG-CZ 4.33Å; Q61-F131 WeakPolarHBondContact O-CE1 3.35Å; L63-F131 HydrophobicContact CB-CE1 4.47Å; L63-F131 HydrophobicContact CD1-CD1 3.85Å; L63-F131 HydrophobicContact CD1-CD2 3.95Å; L63-F131 HydrophobicContact CD1-CE1 3.56Å; L63-F131 HydrophobicContact CD1-CE2 3.67Å; L63-F131 HydrophobicContact CD1-CG 4.06Å; L63-F131 HydrophobicContact CD1-CZ 3.48Å; L63-F131 VanDerWaalsContact CD1-CZ 3.48Å; L63-F131 HydrophobicContact CG-CD1 4.1Å; L63-F131 HydrophobicContact CG-CE1 3.61Å; L63-F131 HydrophobicContact CG-CZ 3.88Å; S93-F131 WeakPolarHBondContact OG-CD2 3.42Å; S93-F131 WeakPolarHBondContact OG-CE2 3.34Å; R94-F131 HydrophobicContact CB-CE2 4.37Å; R94-F131 HydrophobicContact CG-CE2 3.63Å; R94-F131 HydrophobicContact CG-CZ 3.94Å; T97-F131 HydrophobicContact CG2-CB 3.93Å; T97-F131 HydrophobicContact CG2-CG 4.29Å; T97-F131 WeakPolarHBondContact OG1-CB 3.49Å; T97-F131 WeakPolarHBondContact OG1-CD2 3.47Å; P127-F131 HydrophobicContact CB-CB 4.03Å; N128-F131 WeakPolarHBondContact ND2-CD2 3.4Å; N128-F131 WeakPolarHBondContact ND2-CE2 3.43Å; N128-F131 WeakPolarHBondContact ND2-CZ 3.33Å; N128-F131 PolarHBondContact O-N 3.25Å; N128-F131 VanDerWaalsContact O-N 3.08Å; N128-F131 PolarHBondContact OD1-N 2.73Å; F131-R133 VanDerWaalsContact C-N 3.33Å; F131-Q134 PolarHBondContact O-N 2.9Å; F131-L135 WeakPolarHBondContact O-CB 3.43Å; F131-L135 VanDerWaalsContact O-CG 3.29Å; F131-L135 WeakPolarHBondContact O-CG 3.41Å; F131-L135 PolarHBondContact O-N 2.93Å
132Q98.9Very high98.3Very high42 Ų4253.4 Ų53.420%0.19627%0.273CS..Hα-helixtrans-62.7-41.2171.9-66.5-179.730.600111.4W111 P127 N128 L135 Q136W111-Q132 HydrophobicContact CH2-CB 3.97Å; W111-Q132 HydrophobicContact CH2-CG 4.01Å; W111-Q132 HydrophobicContact CZ2-CB 4.44Å; W111-Q132 HydrophobicContact CZ3-CB 4.23Å; W111-Q132 HydrophobicContact CZ3-CG 3.95Å; P127-Q132 HydrophobicContact CB-CG 4.04Å; P127-Q132 PolarHBondContact O-NE2 2.98Å; N128-Q132 PolarHBondContact O-N 3.1Å; Q132-L135 PolarHBondContact O-N 2.91Å; Q132-Q136 PolarHBondContact O-N 3.48Å
133R98.8Very high98.4Very high184 Ų18453.4 Ų53.469%0.69427%0.273SS*.Hα-helixtrans-63.9-42.5174.1-70.9172.4-173.5177.21.1112.1L129 G130 F131 L135 Q136 E137L129-R133 WeakPolarHBondContact O-CG 3.46Å; L129-R133 PolarHBondContact O-N 3.4Å; L129-R133 VanDerWaalsContact O-N 3.11Å; G130-R133 WeakPolarHBondContact O-CB 3.47Å; G130-R133 PolarHBondContact O-N 3.14Å; F131-R133 VanDerWaalsContact C-N 3.33Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.45Å; R133-Q136 PolarHBondContact O-N 3.18Å; R133-E137 WeakPolarHBondContact O-CB 3.38Å; R133-E137 PolarHBondContact O-N 3.31Å
134Q98.8Very high98.5Very high22 Ų2253.7 Ų53.710%0.10327%0.265CS..Hα-helixtrans-61.9-38.3174.9-75.7172.131.400112.4Q61 T64 G130 F131 F138Q61-Q134 PolarHBondContact O-NE2 2.99Å; T64-Q134 HydrophobicContact CG2-CB 3.71Å; T64-Q134 HydrophobicContact CG2-CG 3.88Å; G130-Q134 WeakPolarHBondContact O-CG 3.46Å; G130-Q134 PolarHBondContact O-N 3.27Å; F131-Q134 PolarHBondContact O-N 2.9Å; Q134-F138 VanDerWaalsContact O-CB 3.23Å; Q134-F138 WeakPolarHBondContact O-CB 3.47Å; Q134-F138 PolarHBondContact O-N 3.36Å
135L98.9Very high98.5Very high0 Ų057.9 Ų57.90%028%0.28CS..Hα-helixtrans-68.6-39.3175.4-73.7170.1000112.4F67 T97 I100 A101 M104 W111 F131 Q132 R133 F138 E139F67-L135 HydrophobicContact CE2-CD2 4.39Å; F67-L135 HydrophobicContact CZ-CD2 4.04Å; T97-L135 HydrophobicContact CG2-CD1 4.13Å; T97-L135 HydrophobicContact CG2-CD2 4.14Å; T97-L135 HydrophobicContact CG2-CG 4.05Å; I100-L135 HydrophobicContact CB-CD1 4.14Å; I100-L135 HydrophobicContact CB-CD2 4.26Å; I100-L135 HydrophobicContact CD1-CD1 3.99Å; I100-L135 HydrophobicContact CG2-CD1 3.79Å; I100-L135 HydrophobicContact CG2-CD2 3.8Å; I100-L135 HydrophobicContact CG2-CG 4.37Å; A101-L135 HydrophobicContact CB-CD2 4.24Å; M104-L135 HydrophobicContact SD-CD2 4.13Å; W111-L135 HydrophobicContact CB-CB 3.76Å; W111-L135 HydrophobicContact CD2-CB 4.25Å; W111-L135 HydrophobicContact CE3-CD1 4.43Å; W111-L135 HydrophobicContact CG-CB 3.87Å; F131-L135 WeakPolarHBondContact O-CB 3.43Å; F131-L135 VanDerWaalsContact O-CG 3.29Å; F131-L135 WeakPolarHBondContact O-CG 3.41Å; F131-L135 PolarHBondContact O-N 2.93Å; Q132-L135 PolarHBondContact O-N 2.91Å; R133-L135 VanDerWaalsContact C-N 3.31Å; R133-L135 PolarHBondContact O-N 3.45Å; L135-F138 PolarHBondContact O-N 2.95Å; L135-E139 PolarHBondContact O-N 3.4Å
136Q98.8Very high98.5Very high57 Ų5759.1 Ų59.127%0.26629%0.285SS..Hα-helixtrans-62.9-47.7172.8-175.366.566.700111.1Q132 R133 F138 E139 D140Q132-Q136 PolarHBondContact O-N 3.48Å; R133-Q136 PolarHBondContact O-N 3.18Å; Q136-F138 VanDerWaalsContact C-N 3.29Å; Q136-F138 PolarHBondContact O-N 3.22Å; Q136-E139 WeakPolarHBondContact O-CB 3.35Å; Q136-E139 PolarHBondContact O-N 2.83Å; Q136-E139 VanDerWaalsContact O-N 3.16Å; Q136-D140 PolarHBondContact NE2-OD1 2.9Å; Q136-D140 PolarHBondContact O-N 3.45Å
137E98.7Very high98.5Very high117 Ų11756.5 Ų56.555%0.54727%0.269SS..Hα-helixtrans-62.8-38.4177.7-175.3170.8-170.800111.6R133 D140 T141R133-E137 WeakPolarHBondContact O-CB 3.38Å; R133-E137 PolarHBondContact O-N 3.31Å; E137-D140 PolarHBondContact O-N 3.32Å; E137-T141 HydrophobicContact CG-CG2 4.46Å; E137-T141 WeakPolarHBondContact O-CB 3.29Å; E137-T141 PolarHBondContact O-N 3.43Å; E137-T141 PolarHBondContact O-OG1 3.24Å
138F98.7Very high98.5Very high2 Ų262.2 Ų62.21%0.00930%0.296CS..Hα-helixtrans-60.9-46172.1175.9-108.7000112F67 A101 M104 Q134 L135 Q136 D140 T141 Q142 A143 F146F67-F138 HydrophobicContact CD2-CD1 4.38Å; F67-F138 AromaticContact CD2-CD2 3.75Å; F67-F138 HydrophobicContact CD2-CD2 3.75Å; F67-F138 AromaticContact CD2-CE2 4Å; F67-F138 HydrophobicContact CD2-CE2 4Å; F67-F138 AromaticContact CD2-CG 3.97Å; F67-F138 HydrophobicContact CD2-CG 3.97Å; F67-F138 HydrophobicContact CD2-CZ 4.41Å; F67-F138 HydrophobicContact CE2-CB 3.94Å; F67-F138 HydrophobicContact CE2-CD1 4.18Å; F67-F138 AromaticContact CE2-CD2 4Å; F67-F138 HydrophobicContact CE2-CD2 4Å; F67-F138 AromaticContact CE2-CG 3.77Å; F67-F138 HydrophobicContact CE2-CG 3.77Å; A101-F138 HydrophobicContact CB-CE1 4.49Å; M104-F138 HydrophobicContact CB-CE1 4.24Å; M104-F138 HydrophobicContact CE-CD1 3.65Å; M104-F138 HydrophobicContact CE-CE1 4.12Å; M104-F138 HydrophobicContact SD-CD1 4.08Å; M104-F138 HydrophobicContact SD-CE1 4.37Å; Q134-F138 VanDerWaalsContact O-CB 3.23Å; Q134-F138 WeakPolarHBondContact O-CB 3.47Å; Q134-F138 PolarHBondContact O-N 3.36Å; L135-F138 PolarHBondContact O-N 2.95Å; Q136-F138 VanDerWaalsContact C-N 3.29Å; Q136-F138 PolarHBondContact O-N 3.22Å; F138-D140 VanDerWaalsContact C-N 3.33Å; F138-D140 PolarHBondContact O-N 3.34Å; F138-T141 PolarHBondContact O-N 3.41Å; F138-Q142 HydrophobicContact CD2-CB 3.58Å; F138-Q142 HydrophobicContact CE2-CB 3.85Å; F138-Q142 CarbonylContact O-C 3.55Å; F138-Q142 PolarHBondContact O-N 2.84Å; F138-A143 HydrophobicContact CD1-CB 4.34Å; F138-A143 HydrophobicContact CE1-CB 4.05Å; F138-A143 HydrophobicContact CZ-CB 4.3Å; F138-A143 WeakPolarHBondContact O-CB 3.48Å; F138-A143 PolarHBondContact O-N 2.94Å; F138-F146 HydrophobicContact CE2-CB 4.19Å; F138-F146 AromaticContact CE2-CD1 3.94Å; F138-F146 HydrophobicContact CE2-CD1 3.94Å; F138-F146 AromaticContact CE2-CD2 3.62Å; F138-F146 HydrophobicContact CE2-CD2 3.62Å; F138-F146 HydrophobicContact CE2-CE1 4.16Å; F138-F146 AromaticContact CE2-CE2 3.85Å; F138-F146 HydrophobicContact CE2-CE2 3.85Å; F138-F146 AromaticContact CE2-CG 3.65Å; F138-F146 HydrophobicContact CE2-CG 3.65Å; F138-F146 HydrophobicContact CE2-CZ 4.11Å; F138-F146 HydrophobicContact CZ-CB 3.91Å; F138-F146 AromaticContact CZ-CD1 3.94Å; F138-F146 HydrophobicContact CZ-CD1 3.94Å; F138-F146 HydrophobicContact CZ-CD2 4.2Å; F138-F146 HydrophobicContact CZ-CE1 4.49Å; F138-F146 AromaticContact CZ-CG 3.76Å; F138-F146 HydrophobicContact CZ-CG 3.76Å
139E98.7Very high98.5Very high61 Ų6163.4 Ų63.429%0.28530%0.298SS..Hα-helixtrans-56.3-47.5173.8-171172.7154.400111.9M104 G110 W111 L135 Q136 T141M104-E139 HydrophobicContact CE-CB 3.61Å; M104-E139 HydrophobicContact CE-CG 4.11Å; G110-E139 WeakPolarHBondContact CA-OE1 3.5Å; G110-E139 WeakPolarHBondContact CA-OE2 3.44Å; W111-E139 PolarHBondContact N-OE2 2.9Å; L135-E139 PolarHBondContact O-N 3.4Å; Q136-E139 WeakPolarHBondContact O-CB 3.35Å; Q136-E139 PolarHBondContact O-N 2.83Å; Q136-E139 VanDerWaalsContact O-N 3.16Å; E139-T141 PolarHBondContact O-N 3.32Å
140D98.3Very high98.4Very high112 Ų11258.4 Ų58.460%0.59927%0.272SS*.Hα-helixtrans-73.5-27.7-173.2-63.5-15.3000113Q136 E137 F138Q136-D140 PolarHBondContact NE2-OD1 2.9Å; Q136-D140 PolarHBondContact O-N 3.45Å; E137-D140 PolarHBondContact O-N 3.32Å; F138-D140 VanDerWaalsContact C-N 3.33Å; F138-D140 PolarHBondContact O-N 3.34Å
141T98Very high98.3Very high77 Ų7764.4 Ų64.447%0.47230%0.298SS..Hα-helixtrans-126.3-24.1-165.667.60000116.1E137 F138 E139E137-T141 HydrophobicContact CG-CG2 4.46Å; E137-T141 WeakPolarHBondContact O-CB 3.29Å; E137-T141 PolarHBondContact O-N 3.43Å; E137-T141 PolarHBondContact O-OG1 3.24Å; F138-T141 PolarHBondContact O-N 3.41Å; E139-T141 PolarHBondContact O-N 3.32Å
142Q97.7Very high98.3Very high64 Ų6471.1 Ų71.130%0.29933%0.332SS..THydrogen-bonded Turntrans-134.1-19-167.7-71.7173.544.700114.3F138 E144 E145 F146F138-Q142 HydrophobicContact CD2-CB 3.58Å; F138-Q142 HydrophobicContact CE2-CB 3.85Å; F138-Q142 CarbonylContact O-C 3.55Å; F138-Q142 PolarHBondContact O-N 2.84Å; Q142-E144 VanDerWaalsContact C-N 3.32Å; Q142-E144 PolarHBondContact O-N 2.86Å; Q142-E145 PolarHBondContact O-N 2.98Å; Q142-F146 HydrophobicContact CB-CD2 4.33Å; Q142-F146 HydrophobicContact CB-CE2 4.41Å; Q142-F146 WeakPolarHBondContact O-CD2 3.37Å; Q142-F146 PolarHBondContact O-N 2.86Å
143A97.9Very high98.2Very high1 Ų172.5 Ų72.51%0.00834%0.343CS..Hα-helixtrans-60.6-38.8-172.400000113F138 F146 R147F138-A143 HydrophobicContact CD1-CB 4.34Å; F138-A143 HydrophobicContact CE1-CB 4.05Å; F138-A143 HydrophobicContact CZ-CB 4.3Å; F138-A143 WeakPolarHBondContact O-CB 3.48Å; F138-A143 PolarHBondContact O-N 2.94Å; A143-F146 PolarHBondContact O-N 3.28Å; A143-R147 VanDerWaalsContact O-CG 3.27Å; A143-R147 WeakPolarHBondContact O-CG 3.43Å; A143-R147 PolarHBondContact O-N 2.68Å
144E98.1Very high98.2Very high116 Ų11665 Ų6554%0.54232%0.315SS..Hα-helixtrans-65.8-43.6176.4-62.5-59.1169.400112.2Q142 F146 R147 E148Q142-E144 VanDerWaalsContact C-N 3.32Å; Q142-E144 PolarHBondContact O-N 2.86Å; E144-F146 VanDerWaalsContact C-N 3.25Å; E144-F146 PolarHBondContact O-N 3.35Å; E144-R147 WeakPolarHBondContact O-CB 3.16Å; E144-R147 PolarHBondContact O-N 3.02Å; E144-R147 VanDerWaalsContact O-N 3.11Å; E144-R147 IonicContact OE1-CZ 3.08Å; E144-R147 IonicContact OE1-NH1 3.22Å; E144-R147 PolarHBondContact OE1-NH1 3.41Å; E144-R147 WeakPolarHBondContact OE2-CD 3.4Å; E144-R147 IonicContact OE2-NH1 3.02Å; E144-R147 PolarHBondContact OE2-NH1 2.79Å; E144-R147 VanDerWaalsContact OE2-NH1 3.08Å; E144-E148 WeakPolarHBondContact O-CG 3.24Å; E144-E148 PolarHBondContact O-N 3.12Å
145E98.2Very high97.8Very high130 Ų13071.9 Ų71.961%0.60734%0.344SS*.Hα-helixtrans-61-38176.2-62.3-174.417400111.5Q142 W149Q142-E145 PolarHBondContact O-N 2.98Å; E145-W149 VanDerWaalsContact O-CB 3.28Å; E145-W149 WeakPolarHBondContact O-CB 3.36Å; E145-W149 PolarHBondContact O-N 3.25Å
146F98.6Very high97.5Very high27 Ų2779.4 Ų79.412%0.11839%0.385CS..Hα-helixtrans-67.1-39.9175-90.1-115.7000112.2F67 K68 I71 T105 F138 Q142 A143 E144 W149 F150F67-F146 HydrophobicContact CB-CE1 3.95Å; F67-F146 HydrophobicContact CB-CZ 4.29Å; K68-F146 HydrophobicContact CB-CE1 3.91Å; K68-F146 HydrophobicContact CB-CZ 4.12Å; K68-F146 HydrophobicContact CG-CE1 4.46Å; I71-F146 HydrophobicContact CD1-CD1 3.64Å; I71-F146 HydrophobicContact CD1-CE1 3.86Å; T105-F146 HydrophobicContact CG2-CB 4.11Å; F138-F146 HydrophobicContact CE2-CB 4.19Å; F138-F146 AromaticContact CE2-CD1 3.94Å; F138-F146 HydrophobicContact CE2-CD1 3.94Å; F138-F146 AromaticContact CE2-CD2 3.62Å; F138-F146 HydrophobicContact CE2-CD2 3.62Å; F138-F146 HydrophobicContact CE2-CE1 4.16Å; F138-F146 AromaticContact CE2-CE2 3.85Å; F138-F146 HydrophobicContact CE2-CE2 3.85Å; F138-F146 AromaticContact CE2-CG 3.65Å; F138-F146 HydrophobicContact CE2-CG 3.65Å; F138-F146 HydrophobicContact CE2-CZ 4.11Å; F138-F146 HydrophobicContact CZ-CB 3.91Å; F138-F146 AromaticContact CZ-CD1 3.94Å; F138-F146 HydrophobicContact CZ-CD1 3.94Å; F138-F146 HydrophobicContact CZ-CD2 4.2Å; F138-F146 HydrophobicContact CZ-CE1 4.49Å; F138-F146 AromaticContact CZ-CG 3.76Å; F138-F146 HydrophobicContact CZ-CG 3.76Å; Q142-F146 HydrophobicContact CB-CD2 4.33Å; Q142-F146 HydrophobicContact CB-CE2 4.41Å; Q142-F146 WeakPolarHBondContact O-CD2 3.37Å; Q142-F146 PolarHBondContact O-N 2.86Å; A143-F146 PolarHBondContact O-N 3.28Å; E144-F146 VanDerWaalsContact C-N 3.25Å; E144-F146 PolarHBondContact O-N 3.35Å; F146-W149 HydrophobicContact CD1-CE3 4.4Å; F146-W149 HydrophobicContact CD1-CZ3 4.46Å; F146-F150 WeakPolarHBondContact O-CB 3.46Å; F146-F150 PolarHBondContact O-N 2.87Å
147R98Very high97.2Very high27 Ų2778.9 Ų78.910%0.10238%0.384CS..Hα-helixtrans-64.4-45.8175.5-72.4165.8-170.1160.74.8111.5M104 T105 G108 L109 A143 E144 F150 Q151M104-R147 PolarHBondContact O-NE 3.04Å; M104-R147 PolarHBondContact O-NH2 3.25Å; T105-R147 WeakPolarHBondContact O-CG 3.3Å; G108-R147 PolarHBondContact O-NH2 2.91Å; L109-R147 PolarHBondContact O-NH2 3.12Å; A143-R147 VanDerWaalsContact O-CG 3.27Å; A143-R147 WeakPolarHBondContact O-CG 3.43Å; A143-R147 PolarHBondContact O-N 2.68Å; E144-R147 WeakPolarHBondContact O-CB 3.16Å; E144-R147 PolarHBondContact O-N 3.02Å; E144-R147 VanDerWaalsContact O-N 3.11Å; E144-R147 IonicContact OE1-CZ 3.08Å; E144-R147 IonicContact OE1-NH1 3.22Å; E144-R147 PolarHBondContact OE1-NH1 3.41Å; E144-R147 WeakPolarHBondContact OE2-CD 3.4Å; E144-R147 IonicContact OE2-NH1 3.02Å; E144-R147 PolarHBondContact OE2-NH1 2.79Å; E144-R147 VanDerWaalsContact OE2-NH1 3.08Å; R147-F150 PolarHBondContact O-N 2.63Å; R147-Q151 WeakPolarHBondContact O-CB 3.34Å; R147-Q151 VanDerWaalsContact O-CG 3.25Å; R147-Q151 WeakPolarHBondContact O-CG 3.36Å; R147-Q151 PolarHBondContact O-N 3.17Å
148E98.1Very high97Very high121 Ų12177.9 Ų77.957%0.56539%0.387SS*.Hα-helixtrans-61-49.3176.5-71.9-178.1173.800111.1E144 F150 Q151 M152E144-E148 WeakPolarHBondContact O-CG 3.24Å; E144-E148 PolarHBondContact O-N 3.12Å; E148-F150 VanDerWaalsContact C-N 3.29Å; E148-F150 PolarHBondContact O-N 3.22Å; E148-Q151 PolarHBondContact O-N 3.42Å; E148-M152 WeakPolarHBondContact O-CB 3.21Å; E148-M152 VanDerWaalsContact O-CG 3.29Å; E148-M152 WeakPolarHBondContact O-CG 3.24Å; E148-M152 PolarHBondContact O-N 2.61Å
149W98.3Very high96.9Very high51 Ų5180.1 Ų80.119%0.19340%0.397CS..Hα-helixtrans-55.9-46174.8161.866.7000111.6K68 I71 T72 E145 F146 M152 T153K68-W149 HydrophobicContact CG-CH2 3.9Å; K68-W149 HydrophobicContact CG-CZ2 4.06Å; K68-W149 HydrophobicContact CG-CZ3 4.19Å; I71-W149 HydrophobicContact CB-CZ3 4.45Å; I71-W149 HydrophobicContact CG2-CH2 4.05Å; I71-W149 HydrophobicContact CG2-CZ3 3.78Å; T72-W149 WeakPolarHBondContact OG1-CH2 3.38Å; E145-W149 VanDerWaalsContact O-CB 3.28Å; E145-W149 WeakPolarHBondContact O-CB 3.36Å; E145-W149 PolarHBondContact O-N 3.25Å; F146-W149 HydrophobicContact CD1-CE3 4.4Å; F146-W149 HydrophobicContact CD1-CZ3 4.46Å; W149-M152 PolarHBondContact O-N 3Å; W149-T153 PolarHBondContact NE1-OG1 3.24Å; W149-T153 VanDerWaalsContact NE1-OG1 3.1Å; W149-T153 WeakPolarHBondContact O-CB 3.19Å; W149-T153 PolarHBondContact O-N 3.19Å; W149-T153 PolarHBondContact O-OG1 2.82Å
150F98.3Very high96.8Very high9 Ų982.6 Ų82.64%0.03941%0.412CS..Hα-helixtrans-63.4-47.8-178.8-176.8-87000111.3I71 H75 T105 L106 F146 R147 E148 M152 T153 Y154I71-F150 HydrophobicContact CG2-CD2 4.08Å; I71-F150 HydrophobicContact CG2-CE2 4.35Å; H75-F150 HydrophobicContact CB-CE2 4.08Å; H75-F150 AromaticContact CD2-CE2 3.54Å; H75-F150 AromaticContact CD2-CZ 3.5Å; H75-F150 VanDerWaalsContact CD2-CZ 3.5Å; H75-F150 WeakPolarHBondContact CD2-CZ 3.46Å; H75-F150 AromaticContact CE1-CZ 3.4Å; H75-F150 VanDerWaalsContact CE1-CZ 3.4Å; H75-F150 WeakPolarHBondContact CE1-CZ 3.42Å; H75-F150 AromaticContact CG-CE2 3.57Å; H75-F150 AromaticContact CG-CZ 3.66Å; H75-F150 AromaticContact ND1-CE2 3.96Å; H75-F150 AromaticContact ND1-CZ 3.6Å; H75-F150 AromaticContact NE2-CE2 3.9Å; H75-F150 AromaticContact NE2-CZ 3.33Å; H75-F150 VanDerWaalsContact NE2-CZ 3.33Å; H75-F150 WeakPolarHBondContact NE2-CZ 3.34Å; T105-F150 HydrophobicContact CG2-CB 3.78Å; T105-F150 HydrophobicContact CG2-CD2 4.08Å; T105-F150 HydrophobicContact CG2-CG 4.01Å; L106-F150 HydrophobicContact CD2-CD1 4.26Å; L106-F150 HydrophobicContact CD2-CD2 4.31Å; L106-F150 HydrophobicContact CD2-CE1 3.48Å; L106-F150 VanDerWaalsContact CD2-CE1 3.48Å; L106-F150 HydrophobicContact CD2-CE2 3.53Å; L106-F150 HydrophobicContact CD2-CZ 3.04Å; F146-F150 WeakPolarHBondContact O-CB 3.46Å; F146-F150 PolarHBondContact O-N 2.87Å; R147-F150 PolarHBondContact O-N 2.63Å; E148-F150 VanDerWaalsContact C-N 3.29Å; E148-F150 PolarHBondContact O-N 3.22Å; F150-M152 VanDerWaalsContact C-N 3.33Å; F150-M152 PolarHBondContact O-N 2.84Å; F150-T153 PolarHBondContact O-N 3.22Å; F150-Y154 HydrophobicContact CD1-CD2 4.35Å; F150-Y154 AromaticContact CD2-CD2 3.54Å; F150-Y154 HydrophobicContact CD2-CD2 3.54Å; F150-Y154 AromaticContact CD2-CE2 3.77Å; F150-Y154 HydrophobicContact CD2-CE2 3.77Å; F150-Y154 HydrophobicContact CE1-CD2 4.25Å; F150-Y154 AromaticContact CE2-CD2 3.43Å; F150-Y154 HydrophobicContact CE2-CD2 3.43Å; F150-Y154 VanDerWaalsContact CE2-CD2 3.43Å; F150-Y154 AromaticContact CE2-CE2 3.71Å; F150-Y154 HydrophobicContact CE2-CE2 3.71Å; F150-Y154 HydrophobicContact CE2-CG 4.42Å; F150-Y154 HydrophobicContact CG-CD2 4.01Å; F150-Y154 AromaticContact CZ-CD2 3.8Å; F150-Y154 HydrophobicContact CZ-CD2 3.8Å; F150-Y154 HydrophobicContact CZ-CE2 4.48Å; F150-Y154 HydrophobicContact CZ-CG 4.42Å; F150-Y154 WeakPolarHBondContact O-CD2 3.34Å; F150-Y154 PolarHBondContact O-N 3.35Å
151Q96.6Very high96.7Very high132 Ų13277.5 Ų77.562%0.61739%0.385SS*.Hα-helixtrans-62.9-38.3177-71.2172.212.200112.3R147 E148 K155R147-Q151 WeakPolarHBondContact O-CB 3.34Å; R147-Q151 VanDerWaalsContact O-CG 3.25Å; R147-Q151 WeakPolarHBondContact O-CG 3.36Å; R147-Q151 PolarHBondContact O-N 3.17Å; E148-Q151 PolarHBondContact O-N 3.42Å; Q151-K155 WeakPolarHBondContact O-CA 3.41Å; Q151-K155 VanDerWaalsContact O-CG 3.29Å; Q151-K155 WeakPolarHBondContact O-CG 3.05Å; Q151-K155 PolarHBondContact O-N 3.47Å
152M97.6Very high96.7Very high142 Ų14276.5 Ų76.570%0.738%0.379SS*.Hα-helixtrans-67.7-36.5176-74.6-177.168.800112.7E148 W149 F150 K155E148-M152 WeakPolarHBondContact O-CB 3.21Å; E148-M152 VanDerWaalsContact O-CG 3.29Å; E148-M152 WeakPolarHBondContact O-CG 3.24Å; E148-M152 PolarHBondContact O-N 2.61Å; W149-M152 PolarHBondContact O-N 3Å; F150-M152 VanDerWaalsContact C-N 3.33Å; F150-M152 PolarHBondContact O-N 2.84Å; M152-K155 WeakPolarHBondContact O-CE 3.5Å
153T98.2Very high96.6Very high71 Ų7175.6 Ų75.644%0.43638%0.383SS..Hα-helixtrans-78.4-40.9-178.1-54.30000111.4W149 F150W149-T153 PolarHBondContact NE1-OG1 3.24Å; W149-T153 VanDerWaalsContact NE1-OG1 3.1Å; W149-T153 WeakPolarHBondContact O-CB 3.19Å; W149-T153 PolarHBondContact O-N 3.19Å; W149-T153 PolarHBondContact O-OG1 2.82Å; F150-T153 PolarHBondContact O-N 3.22Å
154Y97.3Very high96.6Very high26 Ų2679.2 Ų79.210%0.10240%0.399CS..  trans-118.855.7-173.7-52-69.8000111.5H75 E76 L79 F150 D156 N157H75-Y154 AromaticContact CD2-CD1 3.55Å; H75-Y154 AromaticContact CD2-CD2 3.43Å; H75-Y154 VanDerWaalsContact CD2-CD2 3.43Å; H75-Y154 WeakPolarHBondContact CD2-CD2 3.3Å; H75-Y154 AromaticContact CD2-CE1 3.7Å; H75-Y154 AromaticContact CD2-CE2 3.58Å; H75-Y154 AromaticContact CD2-CG 3.41Å; H75-Y154 VanDerWaalsContact CD2-CG 3.41Å; H75-Y154 AromaticContact CD2-CZ 3.71Å; H75-Y154 AromaticContact NE2-CD1 3.89Å; H75-Y154 AromaticContact NE2-CD2 3.88Å; H75-Y154 AromaticContact NE2-CG 3.55Å; E76-Y154 HydrophobicContact CG-CE1 4.25Å; L79-Y154 HydrophobicContact CD1-CD1 3.7Å; L79-Y154 HydrophobicContact CD1-CE1 3.99Å; F150-Y154 HydrophobicContact CD1-CD2 4.35Å; F150-Y154 AromaticContact CD2-CD2 3.54Å; F150-Y154 HydrophobicContact CD2-CD2 3.54Å; F150-Y154 AromaticContact CD2-CE2 3.77Å; F150-Y154 HydrophobicContact CD2-CE2 3.77Å; F150-Y154 HydrophobicContact CE1-CD2 4.25Å; F150-Y154 AromaticContact CE2-CD2 3.43Å; F150-Y154 HydrophobicContact CE2-CD2 3.43Å; F150-Y154 VanDerWaalsContact CE2-CD2 3.43Å; F150-Y154 AromaticContact CE2-CE2 3.71Å; F150-Y154 HydrophobicContact CE2-CE2 3.71Å; F150-Y154 HydrophobicContact CE2-CG 4.42Å; F150-Y154 HydrophobicContact CG-CD2 4.01Å; F150-Y154 AromaticContact CZ-CD2 3.8Å; F150-Y154 HydrophobicContact CZ-CD2 3.8Å; F150-Y154 HydrophobicContact CZ-CE2 4.48Å; F150-Y154 HydrophobicContact CZ-CG 4.42Å; F150-Y154 WeakPolarHBondContact O-CD2 3.34Å; F150-Y154 PolarHBondContact O-N 3.35Å; Y154-D156 PolarHBondContact O-N 3.2Å; Y154-N157 VanDerWaalsContact O-CB 3.32Å; Y154-N157 WeakPolarHBondContact O-CB 3.35Å; Y154-N157 PolarHBondContact O-N 3.26Å
155K91.9Very high96.6Very high166 Ų16673.7 Ų73.772%0.72237%0.374SS*.THydrogen-bonded Turntrans-54.7-37-175.3-68.2179-179.4179.10113.9Q151 M152Q151-K155 WeakPolarHBondContact O-CA 3.41Å; Q151-K155 VanDerWaalsContact O-CG 3.29Å; Q151-K155 WeakPolarHBondContact O-CG 3.05Å; Q151-K155 PolarHBondContact O-N 3.47Å; M152-K155 WeakPolarHBondContact O-CE 3.5Å
156D92.1Very high96.5Very high159 Ų15972 Ų7285%0.8537%0.368SS*.THydrogen-bonded Turntrans-99.432.2-178.7-56.1-54.2000111.9Y154 P158Y154-D156 PolarHBondContact O-N 3.2Å; D156-P158 VanDerWaalsContact O-CD 3.28Å; D156-P158 WeakPolarHBondContact O-CD 3.42Å; D156-P158 VanDerWaalsContact O-N 3.13Å
157N92.3Very high96.4Very high45 Ų4576.8 Ų76.824%0.24139%0.389CS..  trans-56.5115.9178.1177.318000110.5H75 Y154 F159H75-N157 PolarHBondContact CE1-OD1 3.14Å; Y154-N157 VanDerWaalsContact O-CB 3.32Å; Y154-N157 WeakPolarHBondContact O-CB 3.35Å; Y154-N157 PolarHBondContact O-N 3.26Å; N157-F159 VanDerWaalsContact C-N 3.29Å; N157-F159 PolarHBondContact O-N 3.22Å; N157-F159 WeakPolarHBondContact OD1-CD2 3.37Å; N157-F159 PolarHBondContact OD1-N 3.45Å; N157-F159 VanDerWaalsContact OD1-N 3.12Å
158P94.9Very high96.2Very high97 Ų9776 Ų7663%0.6339%0.387SS*.  trans-80.4-8.9-175.833.7-36.4000113.3L79 D156L79-P158 HydrophobicContact CD2-CG 4.16Å; D156-P158 VanDerWaalsContact O-CD 3.28Å; D156-P158 WeakPolarHBondContact O-CD 3.42Å; D156-P158 VanDerWaalsContact O-N 3.13Å
159F96.6Very high96Very high49 Ų4971.7 Ų71.722%0.21537%0.367CS..  trans-85.2136.2-173.2-50.8-49.1000112.3H75 R78 L79 N157 D161H75-F159 AromaticContact CE1-CD2 3.66Å; H75-F159 AromaticContact CE1-CE2 3.73Å; R78-F159 HydrophobicContact CB-CE2 3.74Å; R78-F159 HydrophobicContact CB-CZ 3.82Å; R78-F159 WeakPolarHBondContact O-CZ 3.36Å; L79-F159 HydrophobicContact CD2-CE2 3.78Å; L79-F159 HydrophobicContact CD2-CZ 4.1Å; L79-F159 HydrophobicContact CG-CE2 4.22Å; N157-F159 VanDerWaalsContact C-N 3.29Å; N157-F159 PolarHBondContact O-N 3.22Å; N157-F159 WeakPolarHBondContact OD1-CD2 3.37Å; N157-F159 PolarHBondContact OD1-N 3.45Å; N157-F159 VanDerWaalsContact OD1-N 3.12Å; F159-D161 VanDerWaalsContact C-N 3.34Å; F159-D161 WeakPolarHBondContact CB-OD2 3.33Å; F159-D161 PolarHBondContact O-N 3.08Å
160N95.8Very high95.7Very high112 Ų11272.6 Ų72.660%0.59939%0.393SS*.  trans-95.964.2167.3-166.5-14000110.2T162 A163 E164N160-T162 VanDerWaalsContact C-N 3.27Å; N160-T162 PolarHBondContact O-N 3.04Å; N160-A163 HydrophobicContact CB-CB 4.31Å; N160-A163 VanDerWaalsContact CG-CB 3.46Å; N160-A163 PolarHBondContact O-N 3.14Å; N160-A163 VanDerWaalsContact O-N 3.15Å; N160-A163 VanDerWaalsContact OD1-CB 3.27Å; N160-A163 WeakPolarHBondContact OD1-CB 3.23Å; N160-A163 PolarHBondContact OD1-N 2.99Å; N160-E164 PolarHBondContact O-N 2.96Å
161D96.9Very high95.4Very high5 Ų579.3 Ų79.33%0.02742%0.417CS..Hα-helixtrans-61.4-35.9-173.3-71.1-45.3000112.2R78 L106 T107 F159 A163 E164 I165R78-D161 IonicContact CZ-OD1 3.36Å; R78-D161 IonicContact NH1-OD1 3.12Å; R78-D161 PolarHBondContact NH1-OD1 3.08Å; R78-D161 VanDerWaalsContact NH1-OD1 3.12Å; R78-D161 IonicContact NH1-OD2 3.2Å; R78-D161 PolarHBondContact NH1-OD2 3.36Å; R78-D161 IonicContact NH2-OD1 2.7Å; R78-D161 PolarHBondContact NH2-OD1 3.29Å; R78-D161 IonicContact NH2-OD2 3.93Å; L106-D161 HydrophobicContact CB-CB 4.02Å; L106-D161 HydrophobicContact CD1-CB 4.08Å; L106-D161 WeakPolarHBondContact CD1-OD2 3.03Å; T107-D161 HydrophobicContact CG2-CB 4.16Å; F159-D161 VanDerWaalsContact C-N 3.34Å; F159-D161 WeakPolarHBondContact CB-OD2 3.33Å; F159-D161 PolarHBondContact O-N 3.08Å; D161-A163 PolarHBondContact O-N 2.93Å; D161-E164 PolarHBondContact O-N 3.24Å; D161-I165 WeakPolarHBondContact O-CG1 3.46Å; D161-I165 PolarHBondContact O-N 3.19Å
162T96.6Very high94.6Very high57 Ų5776.8 Ų76.835%0.3541%0.408SS..Hα-helixtrans-59.2-45.4175.1-59.20000111.7N160 I165 L166N160-T162 VanDerWaalsContact C-N 3.27Å; N160-T162 PolarHBondContact O-N 3.04Å; T162-I165 PolarHBondContact O-N 3.11Å; T162-L166 HydrophobicContact CG2-CD1 3.98Å; T162-L166 HydrophobicContact CG2-CG 4.39Å; T162-L166 WeakPolarHBondContact O-CB 3.48Å; T162-L166 VanDerWaalsContact O-CG 3.26Å; T162-L166 WeakPolarHBondContact O-CG 3.34Å; T162-L166 PolarHBondContact O-N 3.26Å
163A97.3Very high93.2Very high45 Ų4579.2 Ų79.237%0.37243%0.434SS..Hα-helixtrans-65.9-39.3178.600000112.5N160 D161 L166 K167N160-A163 HydrophobicContact CB-CB 4.31Å; N160-A163 VanDerWaalsContact CG-CB 3.46Å; N160-A163 PolarHBondContact O-N 3.14Å; N160-A163 VanDerWaalsContact O-N 3.15Å; N160-A163 VanDerWaalsContact OD1-CB 3.27Å; N160-A163 WeakPolarHBondContact OD1-CB 3.23Å; N160-A163 PolarHBondContact OD1-N 2.99Å; D161-A163 PolarHBondContact O-N 2.93Å; A163-L166 PolarHBondContact O-N 2.98Å; A163-K167 WeakPolarHBondContact O-CB 3.41Å; A163-K167 PolarHBondContact O-N 2.93Å
164E97.3Very high93Very high77 Ų7779.6 Ų79.636%0.3643%0.434SS..Hα-helixtrans-63.2-42.8176.6-70.6-63.2154.400111.7L9 P10 N160 D161 K167 L168L9-E164 HydrophobicContact CD2-CB 3.55Å; L9-E164 HydrophobicContact CD2-CG 4.43Å; P10-E164 HydrophobicContact CG-CG 4.19Å; N160-E164 PolarHBondContact O-N 2.96Å; D161-E164 PolarHBondContact O-N 3.24Å; E164-K167 WeakPolarHBondContact O-CB 3.33Å; E164-K167 PolarHBondContact O-N 3.32Å; E164-L168 PolarHBondContact O-N 3.4Å
165I97.3Very high92.7Very high0 Ų082.4 Ų82.40%045%0.452CS..Hα-helixtrans-68.1-43.6177.3-64.6-60.3000111.8L9 I103 T107 L109 A117 D161 T162 K167 L168 L169L9-I165 HydrophobicContact CD1-CD1 4.35Å; L9-I165 HydrophobicContact CD2-CD1 3.72Å; L9-I165 HydrophobicContact CD2-CG1 4.04Å; L9-I165 HydrophobicContact CG-CD1 4.04Å; I103-I165 HydrophobicContact CD1-CD1 3.96Å; I103-I165 HydrophobicContact CG1-CD1 4.06Å; I103-I165 HydrophobicContact CG2-CD1 4.01Å; I103-I165 HydrophobicContact CG2-CG1 3.97Å; I103-I165 HydrophobicContact CG2-CG2 4.38Å; T107-I165 HydrophobicContact CG2-CB 4.39Å; T107-I165 HydrophobicContact CG2-CG1 3.95Å; L109-I165 HydrophobicContact CD1-CB 4.34Å; L109-I165 HydrophobicContact CD1-CG2 3.38Å; A117-I165 HydrophobicContact CB-CD1 4.37Å; A117-I165 HydrophobicContact CB-CG2 3.69Å; D161-I165 WeakPolarHBondContact O-CG1 3.46Å; D161-I165 PolarHBondContact O-N 3.19Å; T162-I165 PolarHBondContact O-N 3.11Å; I165-K167 PolarHBondContact O-N 2.76Å; I165-L168 HydrophobicContact CD1-CD1 4.38Å; I165-L168 WeakPolarHBondContact O-CB 3.4Å; I165-L168 PolarHBondContact O-N 2.87Å; I165-L169 HydrophobicContact CG2-CD1 4.23Å; I165-L169 PolarHBondContact O-N 3.21Å
166L95.9Very high92.8Very high95 Ų9577.8 Ų77.850%0.49744%0.437SS..Hα-helixtrans-61.1-35.2176.1-70.6175.3000112T162 A163 L168 L169 G170T162-L166 HydrophobicContact CG2-CD1 3.98Å; T162-L166 HydrophobicContact CG2-CG 4.39Å; T162-L166 WeakPolarHBondContact O-CB 3.48Å; T162-L166 VanDerWaalsContact O-CG 3.26Å; T162-L166 WeakPolarHBondContact O-CG 3.34Å; T162-L166 PolarHBondContact O-N 3.26Å; A163-L166 PolarHBondContact O-N 2.98Å; L166-L168 VanDerWaalsContact C-N 3.3Å; L166-L168 PolarHBondContact O-N 3.02Å; L166-L169 HydrophobicContact CD2-CD1 4.4Å; L166-L169 PolarHBondContact O-N 3.47Å; L166-G170 PolarHBondContact O-N 2.77Å
167K96.4Very high92.8Very high126 Ų12673 Ų7355%0.54841%0.412SS..Hα-helixtrans-65.1-31.6173.6-174.8-177.7-177.1-179.90112.8A163 E164 I165 R171A163-K167 WeakPolarHBondContact O-CB 3.41Å; A163-K167 PolarHBondContact O-N 2.93Å; E164-K167 WeakPolarHBondContact O-CB 3.33Å; E164-K167 PolarHBondContact O-N 3.32Å; I165-K167 PolarHBondContact O-N 2.76Å; K167-R171 WeakPolarHBondContact O-CG 3.39Å
168L94.5Very high92.9Very high12 Ų1274.8 Ų74.86%0.06342%0.423CS..Hα-helixtrans-70.8-47.9172.1-69178.7000110.8V8 A117 V120 V121 E164 I165 L166 G170 R171V8-L168 WeakPolarHBondContact O-CD1 3.36Å; A117-L168 HydrophobicContact CB-CB 4.42Å; V120-L168 HydrophobicContact CB-CB 4.48Å; V120-L168 HydrophobicContact CG1-CB 4.42Å; V120-L168 HydrophobicContact CG1-CD2 4.18Å; V120-L168 WeakPolarHBondContact CG2-O 3.38Å; V121-L168 HydrophobicContact CG1-CD1 4.33Å; V121-L168 HydrophobicContact CG1-CD2 3.72Å; E164-L168 PolarHBondContact O-N 3.4Å; I165-L168 HydrophobicContact CD1-CD1 4.38Å; I165-L168 WeakPolarHBondContact O-CB 3.4Å; I165-L168 PolarHBondContact O-N 2.87Å; L166-L168 VanDerWaalsContact C-N 3.3Å; L166-L168 PolarHBondContact O-N 3.02Å; L168-G170 VanDerWaalsContact C-N 3.26Å; L168-G170 PolarHBondContact O-N 3.07Å; L168-R171 WeakPolarHBondContact O-CB 3.5Å; L168-R171 PolarHBondContact O-N 3.08Å
169L94.1Very high92.7Very high30 Ų3073.3 Ų73.316%0.15741%0.409CS..Hα-helixtrans-59.7-35.8179.6-70172.9000112.5L109 N116 A117 I165 L166 R171 L172L109-L169 HydrophobicContact CD1-CD1 4.24Å; N116-L169 HydrophobicContact CB-CD2 3.9Å; A117-L169 HydrophobicContact CB-CD2 3.99Å; A117-L169 HydrophobicContact CB-CG 4.11Å; I165-L169 HydrophobicContact CG2-CD1 4.23Å; I165-L169 PolarHBondContact O-N 3.21Å; L166-L169 HydrophobicContact CD2-CD1 4.4Å; L166-L169 PolarHBondContact O-N 3.47Å; L169-R171 PolarHBondContact O-N 2.91Å; L169-L172 HydrophobicContact CD2-CD1 3.82Å; L169-L172 WeakPolarHBondContact O-CB 3.3Å; L169-L172 WeakPolarHBondContact O-CG 3.42Å; L169-L172 PolarHBondContact O-N 2.95Å
170G92.7Very high92.4Very high70 Ų7075 Ų7572%0.72242%0.423SS*.THydrogen-bonded Turntrans-65.5-4.3173.800000115.6L166 L168L166-G170 PolarHBondContact O-N 2.77Å; L168-G170 VanDerWaalsContact C-N 3.26Å; L168-G170 PolarHBondContact O-N 3.07Å
171R91.2Very high92.2Very high149 Ų14972.2 Ų72.256%0.56241%0.41SS*.THydrogen-bonded Turntrans-95.8-4.7173.1-56.2175.6-168.5-179.24.1113V120 K167 L168 L169V120-R171 HydrophobicContact CG1-CB 4.06Å; K167-R171 WeakPolarHBondContact O-CG 3.39Å; L168-R171 WeakPolarHBondContact O-CB 3.5Å; L168-R171 PolarHBondContact O-N 3.08Å; L169-R171 PolarHBondContact O-N 2.91Å
172L80.3Confident91.8Very high79 Ų7977.8 Ų77.841%0.41444%0.441SS..  trans-65.6139.4173.3-67.6170.2000109.1N116 V120 L169N116-L172 HydrophobicContact CB-CD1 4.25Å; V120-L172 HydrophobicContact CG2-CD2 3.59Å; V120-L172 HydrophobicContact CG2-CG 3.89Å; L169-L172 HydrophobicContact CD2-CD1 3.82Å; L169-L172 WeakPolarHBondContact O-CB 3.3Å; L169-L172 WeakPolarHBondContact O-CG 3.42Å; L169-L172 PolarHBondContact O-N 2.95Å
173P68.1Low91.4Very high193 Ų19379.6 Ų79.6100%1.25345%0.45SS*.  trans-66.90-18028.9-34.8000113.1

Retrieved 173 of 173 residues in 150.6 ms (Link to these results)

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