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Transcription and mRNA export factor ENY2

Involved in mRNA export coupled transcription activation by association with both the TREX-2 and the SAGA complexes. The transcription regulatory histone acetylation (HAT) complex SAGA is a multiprotein complex that activates transcription by remodeling chromatin and mediating histone acetylation and deubiquitination. Within the SAGA complex, participates in a subcomplex that specifically deubiquitinates histones. The SAGA complex is recruited to specific gene promoters by activators, where it is required for transcription. The TREX-2 complex functions in docking export-competent ribonucleoprotein particles (mRNPs) to the nuclear entrance of the nuclear pore complex (nuclear basket). TREX-2 participates in mRNA export and accurate chromatin positioning in the nucleus by tethering genes to the nuclear periphery. Involved in mRNA export coupled transcription activation by association with both the TREX-2 and the SAGA complexes. The transcription regulatory histone acetylation (HAT) complex SAGA is a multiprotein complex that activates transcription by remodeling chromatin and mediating histone acetylation and deubiquitination. Within the SAGA complex, participates to a subcomplex that specifically deubiquitinates histones. The SAGA complex is recruited to specific gene promoters by activators, where it is required for transcription. The TREX-2 complex functions in docking export-competent ribonucleoprotein particles (mRNPs) to the nuclear entrance of the nuclear pore complex (nuclear basket). TREX-2 participates in mRNA export and accurate chromatin positioning in the nucleus by tethering genes to the nuclear periphery.

AlphaFold DB (B5XGH3), UniProt , Accession A0A060WJQ5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110518743, Length 95 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
1M64.9Low91.4Very high168 Ų168103.7 Ų103.783%0.82853%0.53SS*.  0125.90-80.317340.900109.9K6M1-K6 HydrophobicContact CB-CG 4.46Å; M1-K6 HydrophobicContact CE-CB 4.47Å; M1-K6 HydrophobicContact CE-CG 3.56Å
2S89.2Confident91.8Very high70 Ų70102.8 Ų102.849%0.4953%0.527SS..  trans-60.8153.4173.9171.60000111.6D4 S5 K6S2-D4 PolarHBondContact O-N 3.46Å; S2-D4 PolarHBondContact OG-N 3.39Å; S2-S5 WeakPolarHBondContact O-CB 3.44Å; S2-S5 PolarHBondContact O-N 3.09Å; S2-K6 PolarHBondContact O-N 2.86Å; S2-K6 VanDerWaalsContact O-N 3.11Å
3K92Very high92.2Very high184 Ų184103.5 Ų103.580%0.853%0.527SS*.Hα-helixtrans-50.5-41.9172-73.7-176.4177.2179.50111.1S5 K6 M7K3-S5 VanDerWaalsContact C-N 3.3Å; K3-S5 PolarHBondContact O-N 2.72Å; K3-K6 PolarHBondContact O-N 2.93Å; K3-M7 PolarHBondContact O-N 2.94Å
4D94Very high92.5Very high91 Ų9199.7 Ų99.749%0.48751%0.505SS..Hα-helixtrans-65.3-35.3178.8-55.8-22.4000112.4S2 M7 R8S2-D4 PolarHBondContact O-N 3.46Å; S2-D4 PolarHBondContact OG-N 3.39Å; D4-M7 PolarHBondContact O-N 2.63Å; D4-R8 WeakPolarHBondContact O-CB 3.3Å; D4-R8 WeakPolarHBondContact O-CG 3.42Å; D4-R8 PolarHBondContact O-N 3.08Å
5S95.5Very high92.8Very high42 Ų4293.9 Ų93.929%0.29448%0.476SS..Hα-helixtrans-68.8-38177.3-173.60000111.6S2 K3 A9S2-S5 WeakPolarHBondContact O-CB 3.44Å; S2-S5 PolarHBondContact O-N 3.09Å; K3-S5 VanDerWaalsContact C-N 3.3Å; K3-S5 PolarHBondContact O-N 2.72Å; S5-A9 WeakPolarHBondContact O-CB 3.48Å; S5-A9 PolarHBondContact O-N 3.09Å; S5-A9 VanDerWaalsContact O-N 3.1Å
6K94.4Very high93.1Very high128 Ų12892.4 Ų92.456%0.55747%0.473SS*.Hα-helixtrans-64.2-47.4173.6-73.9-178.6177.9-172.90110.6M1 S2 K3 R8 A9 T10M1-K6 HydrophobicContact CB-CG 4.46Å; M1-K6 HydrophobicContact CE-CB 4.47Å; M1-K6 HydrophobicContact CE-CG 3.56Å; S2-K6 PolarHBondContact O-N 2.86Å; S2-K6 VanDerWaalsContact O-N 3.11Å; K3-K6 PolarHBondContact O-N 2.93Å; K6-R8 PolarHBondContact O-N 3.28Å; K6-A9 WeakPolarHBondContact O-CB 3.38Å; K6-A9 PolarHBondContact O-N 3.43Å; K6-A9 VanDerWaalsContact O-N 3.16Å; K6-T10 PolarHBondContact O-N 2.97Å; K6-T10 PolarHBondContact O-OG1 3.32Å
7M94Very high93.3Very high121 Ų12195.1 Ų95.160%0.59648%0.483SS*.Hα-helixtrans-58.4-46.7177.8-175.3-177-70.500112.2K3 D4 A9 T10 I11K3-M7 PolarHBondContact O-N 2.94Å; D4-M7 PolarHBondContact O-N 2.63Å; M7-A9 VanDerWaalsContact C-N 3.32Å; M7-A9 PolarHBondContact O-N 3.45Å; M7-T10 PolarHBondContact O-N 3.47Å; M7-I11 HydrophobicContact CG-CD1 4Å; M7-I11 WeakPolarHBondContact O-CG1 3.48Å; M7-I11 PolarHBondContact O-N 3.04Å
8R95.5Very high93.5Very high146 Ų14694 Ų9455%0.55148%0.477SS*.Hα-helixtrans-60.3-40.1175.9-75.2-171-66.2-96.85.4112.5D4 K6 N12D4-R8 WeakPolarHBondContact O-CB 3.3Å; D4-R8 WeakPolarHBondContact O-CG 3.42Å; D4-R8 PolarHBondContact O-N 3.08Å; K6-R8 PolarHBondContact O-N 3.28Å; R8-N12 WeakPolarHBondContact O-CB 3.42Å; R8-N12 VanDerWaalsContact O-CG 3.31Å; R8-N12 PolarHBondContact O-N 3.24Å; R8-N12 PolarHBondContact O-ND2 3.22Å
9A96.1Very high93.7Very high52 Ų5290.6 Ų90.643%0.4347%0.468SS..Hα-helixtrans-63.4-46.9177.200000111.4S5 K6 M7 I11 N12 Q13S5-A9 WeakPolarHBondContact O-CB 3.48Å; S5-A9 PolarHBondContact O-N 3.09Å; S5-A9 VanDerWaalsContact O-N 3.1Å; K6-A9 WeakPolarHBondContact O-CB 3.38Å; K6-A9 PolarHBondContact O-N 3.43Å; K6-A9 VanDerWaalsContact O-N 3.16Å; M7-A9 VanDerWaalsContact C-N 3.32Å; M7-A9 PolarHBondContact O-N 3.45Å; A9-I11 PolarHBondContact O-N 3.06Å; A9-N12 PolarHBondContact O-N 3.23Å; A9-Q13 WeakPolarHBondContact O-CB 3.5Å; A9-Q13 PolarHBondContact O-N 3.39Å
10T94.9Very high93.9Very high90 Ų9087.2 Ų87.255%0.55245%0.449SS*.Hα-helixtrans-60.7-43.9176.8-57.30000112.3K6 M7 Q13 K14K6-T10 PolarHBondContact O-N 2.97Å; K6-T10 PolarHBondContact O-OG1 3.32Å; M7-T10 PolarHBondContact O-N 3.47Å; T10-Q13 PolarHBondContact O-N 2.91Å; T10-K14 WeakPolarHBondContact O-CB 3.28Å; T10-K14 PolarHBondContact O-N 3.42Å
11I95.4Very high94.1Very high49 Ų4990.6 Ų90.625%0.25146%0.456SS..Hα-helixtrans-60.2-48.4175.6-71.5167.9000110.6M7 A9 Q13 K14 L15 L90M7-I11 HydrophobicContact CG-CD1 4Å; M7-I11 WeakPolarHBondContact O-CG1 3.48Å; M7-I11 PolarHBondContact O-N 3.04Å; A9-I11 PolarHBondContact O-N 3.06Å; I11-Q13 VanDerWaalsContact C-N 3.34Å; I11-Q13 PolarHBondContact O-N 3.49Å; I11-K14 PolarHBondContact O-N 3.02Å; I11-L15 HydrophobicContact CG2-CD1 3.86Å; I11-L15 HydrophobicContact CG2-CG 4.36Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 3.25Å; I11-L90 HydrophobicContact CD1-CD1 4.09Å; I11-L90 HydrophobicContact CG1-CD1 4.2Å; I11-L90 HydrophobicContact CG1-CD2 4.14Å; I11-L90 HydrophobicContact CG2-CD1 4.1Å; I11-L90 HydrophobicContact CG2-CD2 4.17Å
12N96.3Very high95.7Very high92 Ų9286.5 Ų86.549%0.49244%0.435SS..Hα-helixtrans-63.8-37.7-179.8-77.4-31.7000112.9R8 A9 T16R8-N12 WeakPolarHBondContact O-CB 3.42Å; R8-N12 VanDerWaalsContact O-CG 3.31Å; R8-N12 PolarHBondContact O-N 3.24Å; R8-N12 PolarHBondContact O-ND2 3.22Å; A9-N12 PolarHBondContact O-N 3.23Å; N12-T16 WeakPolarHBondContact O-CB 3.49Å; N12-T16 PolarHBondContact O-N 3.47Å; N12-T16 VanDerWaalsContact O-N 3.07Å; N12-T16 PolarHBondContact O-OG1 3.43Å
13Q96.4Very high96.1Very high112 Ų11288.8 Ų88.852%0.52343%0.433SS..Hα-helixtrans-60.4-52.2174.2-179.9173.76.200110.2A9 T10 I11 L15 T16 E17A9-Q13 WeakPolarHBondContact O-CB 3.5Å; A9-Q13 PolarHBondContact O-N 3.39Å; T10-Q13 PolarHBondContact O-N 2.91Å; I11-Q13 VanDerWaalsContact C-N 3.34Å; I11-Q13 PolarHBondContact O-N 3.49Å; Q13-L15 PolarHBondContact O-N 3.43Å; Q13-T16 WeakPolarHBondContact O-CA 3.3Å; Q13-T16 WeakPolarHBondContact O-CB 3.26Å; Q13-T16 PolarHBondContact O-N 3Å; Q13-E17 HydrophobicContact CG-CG 4.27Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.18Å; Q13-E17 PolarHBondContact NE2-OE1 3.45Å; Q13-E17 WeakPolarHBondContact O-CG 3.26Å; Q13-E17 PolarHBondContact O-N 3.42Å
14K95.8Very high96.4Very high51 Ų5180.9 Ų80.922%0.22240%0.4CS..Hα-helixtrans-59.3-43.8179-167.1170.2-168.4156.90113.2T10 I11 T16 M18 F89 H93T10-K14 WeakPolarHBondContact O-CB 3.28Å; T10-K14 PolarHBondContact O-N 3.42Å; I11-K14 PolarHBondContact O-N 3.02Å; K14-T16 PolarHBondContact O-N 2.85Å; K14-M18 HydrophobicContact CG-CG 4.45Å; K14-M18 HydrophobicContact CG-SD 4.08Å; K14-M18 WeakPolarHBondContact O-CB 3.48Å; K14-M18 VanDerWaalsContact O-CG 3.32Å; K14-M18 WeakPolarHBondContact O-CG 3.27Å; K14-M18 PolarHBondContact O-N 2.93Å; K14-M18 VanDerWaalsContact O-N 3.09Å; K14-F89 HydrophobicContact CD-CE1 4.43Å; K14-F89 HydrophobicContact CG-CE1 4.02Å; K14-F89 HydrophobicContact CG-CZ 4.16Å; K14-H93 PolarHBondContact NZ-O 3.36Å
15L97.3Very high96.6Very high12 Ų1281.1 Ų81.16%0.06340%0.397CS..Hα-helixtrans-60.5-35.5175.2-71.3170.8000112I11 Q13 E20 R21 L24 F89I11-L15 HydrophobicContact CG2-CD1 3.86Å; I11-L15 HydrophobicContact CG2-CG 4.36Å; I11-L15 VanDerWaalsContact O-CG 3.31Å; I11-L15 WeakPolarHBondContact O-CG 3.33Å; I11-L15 PolarHBondContact O-N 3.25Å; Q13-L15 PolarHBondContact O-N 3.43Å; L15-E20 HydrophobicContact CD2-CB 3.81Å; L15-E20 HydrophobicContact CD2-CG 3.53Å; L15-E20 PolarHBondContact O-N 2.62Å; L15-R21 HydrophobicContact CB-CB 4.37Å; L15-R21 PolarHBondContact O-N 3.05Å; L15-L24 HydrophobicContact CD2-CD1 4.21Å; L15-F89 HydrophobicContact CD2-CD1 3.46Å; L15-F89 VanDerWaalsContact CD2-CD1 3.46Å; L15-F89 HydrophobicContact CD2-CE1 3.6Å; L15-F89 HydrophobicContact CD2-CG 4.17Å; L15-F89 HydrophobicContact CD2-CZ 4.41Å; L15-F89 HydrophobicContact CG-CD1 4.46Å; L15-F89 HydrophobicContact CG-CE1 4.26Å
16T97.8Very high96.8Very high71 Ų7184.3 Ų84.344%0.43641%0.407SS..Hα-helixtrans-75.9-49.6-179.6-57.30000111.1N12 Q13 K14 M18 G19 R21N12-T16 WeakPolarHBondContact O-CB 3.49Å; N12-T16 PolarHBondContact O-N 3.47Å; N12-T16 VanDerWaalsContact O-N 3.07Å; N12-T16 PolarHBondContact O-OG1 3.43Å; Q13-T16 WeakPolarHBondContact O-CA 3.3Å; Q13-T16 WeakPolarHBondContact O-CB 3.26Å; Q13-T16 PolarHBondContact O-N 3Å; K14-T16 PolarHBondContact O-N 2.85Å; T16-M18 VanDerWaalsContact C-N 3.3Å; T16-M18 PolarHBondContact O-N 3.15Å; T16-G19 PolarHBondContact O-N 2.9Å; T16-G19 VanDerWaalsContact O-N 3.12Å; T16-R21 WeakPolarHBondContact OG1-CD 3.47Å
17E96.7Very high96.9Very high137 Ų13779.3 Ų79.364%0.6439%0.386SS*.Hα-helixtrans-62.5-35.3-178.4-71.9172175.600112.6Q13 G19Q13-E17 HydrophobicContact CG-CG 4.27Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.18Å; Q13-E17 PolarHBondContact NE2-OE1 3.45Å; Q13-E17 WeakPolarHBondContact O-CG 3.26Å; Q13-E17 PolarHBondContact O-N 3.42Å; E17-G19 VanDerWaalsContact C-N 3.31Å; E17-G19 PolarHBondContact O-N 3.06Å
18M96.5Very high97.2Very high76 Ų7676.3 Ų76.337%0.37437%0.372SS..THydrogen-bonded Turntrans-89.67.2179.3-56.7-16468.400113.7K14 T16 E20 R23 F89 H93K14-M18 HydrophobicContact CG-CG 4.45Å; K14-M18 HydrophobicContact CG-SD 4.08Å; K14-M18 WeakPolarHBondContact O-CB 3.48Å; K14-M18 VanDerWaalsContact O-CG 3.32Å; K14-M18 WeakPolarHBondContact O-CG 3.27Å; K14-M18 PolarHBondContact O-N 2.93Å; K14-M18 VanDerWaalsContact O-N 3.09Å; T16-M18 VanDerWaalsContact C-N 3.3Å; T16-M18 PolarHBondContact O-N 3.15Å; M18-E20 PolarHBondContact O-N 3.37Å; M18-E20 VanDerWaalsContact O-N 3.1Å; M18-R23 PolarHBondContact O-NH1 3.21Å; M18-R23 VanDerWaalsContact O-NH1 3.14Å; M18-R23 PolarHBondContact O-NH2 3.35Å; M18-F89 HydrophobicContact CB-CE2 3.9Å; M18-F89 HydrophobicContact CB-CZ 3.74Å; M18-F89 HydrophobicContact CE-CE2 4.4Å; M18-F89 HydrophobicContact CG-CE2 4.45Å; M18-F89 HydrophobicContact CG-CZ 4Å; M18-F89 HydrophobicContact SD-CE2 3.91Å; M18-F89 HydrophobicContact SD-CZ 3.53Å; M18-F89 VanDerWaalsContact SD-CZ 3.53Å; M18-H93 WeakPolarHBondContact CE-CD2 3.21Å; M18-H93 WeakPolarHBondContact CE-NE2 3.5Å; M18-H93 VanDerWaalsContact SD-CD2 3.58Å
19G97.4Very high97.3Very high29 Ų2975.8 Ų75.830%0.29937%0.37SS..THydrogen-bonded Turntrans67.94.8-179.400000115.2T16 E17 R21 E22 R23T16-G19 PolarHBondContact O-N 2.9Å; T16-G19 VanDerWaalsContact O-N 3.12Å; E17-G19 VanDerWaalsContact C-N 3.31Å; E17-G19 PolarHBondContact O-N 3.06Å; G19-R21 VanDerWaalsContact C-N 3.25Å; G19-R21 PolarHBondContact O-N 3.16Å; G19-E22 PolarHBondContact O-N 3.13Å; G19-R23 PolarHBondContact O-N 3.03Å
20E97.7Very high97.4Very high22 Ų2275.9 Ų75.910%0.10337%0.371CS..Hα-helixtrans-64.7-32.9-179.4-174.260.7-162.200111.5L15 M18 E22 R23 L24 F89L15-E20 HydrophobicContact CD2-CB 3.81Å; L15-E20 HydrophobicContact CD2-CG 3.53Å; L15-E20 PolarHBondContact O-N 2.62Å; M18-E20 PolarHBondContact O-N 3.37Å; M18-E20 VanDerWaalsContact O-N 3.1Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 3.5Å; E20-R23 VanDerWaalsContact CA-NH2 3.33Å; E20-R23 PolarHBondContact O-N 3.26Å; E20-R23 IonicContact OE2-CZ 2.92Å; E20-R23 IonicContact OE2-NE 2.78Å; E20-R23 PolarHBondContact OE2-NE 3.29Å; E20-R23 IonicContact OE2-NH2 3.57Å; E20-R23 PolarHBondContact OE2-NH2 2.85Å; E20-L24 HydrophobicContact CG-CD1 3.92Å; E20-L24 HydrophobicContact CG-CG 4.16Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 VanDerWaalsContact O-CG 3.24Å; E20-L24 WeakPolarHBondContact O-CG 3.37Å; E20-L24 PolarHBondContact O-N 3.33Å; E20-F89 HydrophobicContact CB-CD2 3.92Å; E20-F89 HydrophobicContact CB-CE1 4.5Å; E20-F89 HydrophobicContact CB-CE2 3.77Å; E20-F89 HydrophobicContact CB-CG 4.34Å; E20-F89 HydrophobicContact CB-CZ 4.08Å; E20-F89 HydrophobicContact CG-CB 4.22Å; E20-F89 HydrophobicContact CG-CD1 4.27Å; E20-F89 HydrophobicContact CG-CD2 3.69Å; E20-F89 HydrophobicContact CG-CE2 4.1Å; E20-F89 HydrophobicContact CG-CG 3.79Å
21R97.9Very high97.6Very high159 Ų15974.2 Ų74.260%0.636%0.356SS*.Hα-helixtrans-59-41.2176.5-175.6175.6177.2-178-2.1112.5L15 T16 G19 K25L15-R21 HydrophobicContact CB-CB 4.37Å; L15-R21 PolarHBondContact O-N 3.05Å; T16-R21 WeakPolarHBondContact OG1-CD 3.47Å; G19-R21 VanDerWaalsContact C-N 3.25Å; G19-R21 PolarHBondContact O-N 3.16Å; R21-K25 WeakPolarHBondContact O-CB 3.36Å; R21-K25 PolarHBondContact O-N 3.22Å; R21-K25 VanDerWaalsContact O-N 3.09Å
22E98.3Very high97.7Very high82 Ų8272.8 Ų72.838%0.38335%0.349SS..Hα-helixtrans-74.1-39.9178.9-163.261.7-153.200110.8G19 E20 L24 K25 E26G19-E22 PolarHBondContact O-N 3.13Å; E20-E22 VanDerWaalsContact C-N 3.32Å; E20-E22 PolarHBondContact O-N 3.5Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 2.98Å; E22-K25 WeakPolarHBondContact O-CB 3.28Å; E22-K25 PolarHBondContact O-N 3.26Å; E22-K25 VanDerWaalsContact O-N 3.09Å; E22-K25 IonicContact OE1-NZ 2.83Å; E22-K25 PolarHBondContact OE1-NZ 2.8Å; E22-K25 IonicContact OE2-NZ 3.13Å; E22-K25 PolarHBondContact OE2-NZ 2.97Å; E22-K25 VanDerWaalsContact OE2-NZ 3.13Å; E22-E26 WeakPolarHBondContact O-CG 3.38Å; E22-E26 PolarHBondContact O-N 2.95Å
23R98.3Very high97.8Very high118 Ų11871.7 Ų71.745%0.44535%0.346SS..Hα-helixtrans-57.8-42.7173-68.1-171.3-69-90.22.8112.4M18 G19 E20 L27M18-R23 PolarHBondContact O-NH1 3.21Å; M18-R23 VanDerWaalsContact O-NH1 3.14Å; M18-R23 PolarHBondContact O-NH2 3.35Å; G19-R23 PolarHBondContact O-N 3.03Å; E20-R23 VanDerWaalsContact CA-NH2 3.33Å; E20-R23 PolarHBondContact O-N 3.26Å; E20-R23 IonicContact OE2-CZ 2.92Å; E20-R23 IonicContact OE2-NE 2.78Å; E20-R23 PolarHBondContact OE2-NE 3.29Å; E20-R23 IonicContact OE2-NH2 3.57Å; E20-R23 PolarHBondContact OE2-NH2 2.85Å; R23-L27 WeakPolarHBondContact O-CB 3.4Å; R23-L27 PolarHBondContact O-N 3.44Å
24L98.4Very high97.9Very high19 Ų1973.7 Ų73.710%0.09936%0.355CS..Hα-helixtrans-65.6-37.8175.8-71.5168.6000112.1L15 E20 E22 L28 L82 R85 I86L15-L24 HydrophobicContact CD2-CD1 4.21Å; E20-L24 HydrophobicContact CG-CD1 3.92Å; E20-L24 HydrophobicContact CG-CG 4.16Å; E20-L24 WeakPolarHBondContact O-CB 3.41Å; E20-L24 VanDerWaalsContact O-CG 3.24Å; E20-L24 WeakPolarHBondContact O-CG 3.37Å; E20-L24 PolarHBondContact O-N 3.33Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 2.98Å; L24-L28 WeakPolarHBondContact O-CB 3.31Å; L24-L28 PolarHBondContact O-N 3.2Å; L24-L82 HydrophobicContact CB-CD2 4.11Å; L24-L82 HydrophobicContact CD2-CD2 3.68Å; L24-L82 WeakPolarHBondContact O-CD2 3.28Å; L24-R85 HydrophobicContact CD2-CB 3.82Å; L24-I86 HydrophobicContact CD1-CD1 4.2Å; L24-I86 HydrophobicContact CD1-CG1 3.59Å; L24-I86 HydrophobicContact CD2-CG1 4.25Å
25K98.4Very high98Very high96 Ų9673.7 Ų73.742%0.41736%0.361SS..Hα-helixtrans-68.9-40.9177.5178.7-178.9159.1-143.60112R21 E22 L28 R29R21-K25 WeakPolarHBondContact O-CB 3.36Å; R21-K25 PolarHBondContact O-N 3.22Å; R21-K25 VanDerWaalsContact O-N 3.09Å; E22-K25 WeakPolarHBondContact O-CB 3.28Å; E22-K25 PolarHBondContact O-N 3.26Å; E22-K25 VanDerWaalsContact O-N 3.09Å; E22-K25 IonicContact OE1-NZ 2.83Å; E22-K25 PolarHBondContact OE1-NZ 2.8Å; E22-K25 IonicContact OE2-NZ 3.13Å; E22-K25 PolarHBondContact OE2-NZ 2.97Å; E22-K25 VanDerWaalsContact OE2-NZ 3.13Å; K25-L28 PolarHBondContact O-N 3.07Å; K25-R29 WeakPolarHBondContact O-CB 3.48Å; K25-R29 PolarHBondContact O-N 3.35Å
26E98.5Very high98.1Very high109 Ų10974 Ų7451%0.50937%0.367SS..Hα-helixtrans-62.6-46.7173.4-72.8176.417100111.4E22 L28 R29 A30E22-E26 WeakPolarHBondContact O-CG 3.38Å; E22-E26 PolarHBondContact O-N 2.95Å; E26-L28 PolarHBondContact O-N 3.33Å; E26-R29 PolarHBondContact O-N 3.46Å; E26-A30 PolarHBondContact O-N 2.94Å
27L98.3Very high98.1Very high22 Ų2273.3 Ų73.312%0.11536%0.356CS..Hα-helixtrans-57.9-48.8174.6177.868.3000111.7R23 R29 A30 K31 L82 R85R23-L27 WeakPolarHBondContact O-CB 3.4Å; R23-L27 PolarHBondContact O-N 3.44Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-R29 PolarHBondContact O-N 3.44Å; L27-A30 PolarHBondContact O-N 2.82Å; L27-K31 HydrophobicContact CD1-CG 4.08Å; L27-K31 HydrophobicContact CG-CG 4.28Å; L27-K31 WeakPolarHBondContact O-CB 3.4Å; L27-K31 VanDerWaalsContact O-CG 3.28Å; L27-K31 WeakPolarHBondContact O-CG 3.44Å; L27-K31 PolarHBondContact O-N 3.22Å; L27-L82 HydrophobicContact CD2-CD2 3.96Å; L27-R85 VanDerWaalsContact CD2-CD 3.45Å
28L98.6Very high98.2Very high59 Ų5974.4 Ų74.431%0.30936%0.355SS..Hα-helixtrans-57.1-47.1178175.360.2000110.6L24 K25 E26 A30 K31 L32 V78 L82L24-L28 WeakPolarHBondContact O-CB 3.31Å; L24-L28 PolarHBondContact O-N 3.2Å; K25-L28 PolarHBondContact O-N 3.07Å; E26-L28 PolarHBondContact O-N 3.33Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.41Å; L28-K31 PolarHBondContact O-N 3.47Å; L28-L32 HydrophobicContact CD1-CD1 3.74Å; L28-L32 HydrophobicContact CD1-CD2 4.24Å; L28-L32 HydrophobicContact CD1-CG 3.76Å; L28-L32 HydrophobicContact CG-CD1 3.95Å; L28-L32 HydrophobicContact CG-CG 4.31Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 3.03Å; L28-V78 HydrophobicContact CD1-CG1 3.74Å; L28-L82 HydrophobicContact CB-CD1 4.02Å; L28-L82 HydrophobicContact CB-CD2 4.46Å; L28-L82 HydrophobicContact CD1-CD1 3.73Å; L28-L82 HydrophobicContact CD2-CD1 4.43Å; L28-L82 HydrophobicContact CG-CD1 4.25Å
29R98.5Very high98.3Very high135 Ų13575.8 Ų75.851%0.50936%0.364SS..Hα-helixtrans-59.5-44.3178-174.5-174.3-66.4129.1-6.2111.7K25 E26 L27 T33K25-R29 WeakPolarHBondContact O-CB 3.48Å; K25-R29 PolarHBondContact O-N 3.35Å; E26-R29 PolarHBondContact O-N 3.46Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-R29 PolarHBondContact O-N 3.44Å; R29-T33 WeakPolarHBondContact O-CB 3.42Å; R29-T33 PolarHBondContact O-N 2.98Å; R29-T33 PolarHBondContact O-OG1 2.88Å
30A98.5Very high98.3Very high54 Ų5479.2 Ų79.245%0.44637%0.372SS..Hα-helixtrans-61.4-50.1177.400000111.1E26 L27 L28 L32 T33 E34E26-A30 PolarHBondContact O-N 2.94Å; L27-A30 PolarHBondContact O-N 2.82Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.41Å; A30-L32 PolarHBondContact O-N 3.1Å; A30-T33 WeakPolarHBondContact O-CB 3.18Å; A30-T33 PolarHBondContact O-N 3.46Å; A30-T33 VanDerWaalsContact O-N 3.11Å; A30-E34 WeakPolarHBondContact O-CB 3.37Å; A30-E34 PolarHBondContact O-N 3.33Å
31K98.5Very high98.3Very high54 Ų5479.2 Ų79.224%0.23537%0.372CS..Hα-helixtrans-62.7-41.5-179.4-67.8-72.4172.4168.80113.2L27 L28 T33 E34 C35 V78 E81L27-K31 HydrophobicContact CD1-CG 4.08Å; L27-K31 HydrophobicContact CG-CG 4.28Å; L27-K31 WeakPolarHBondContact O-CB 3.4Å; L27-K31 VanDerWaalsContact O-CG 3.28Å; L27-K31 WeakPolarHBondContact O-CG 3.44Å; L27-K31 PolarHBondContact O-N 3.22Å; L28-K31 PolarHBondContact O-N 3.47Å; K31-T33 VanDerWaalsContact C-N 3.29Å; K31-T33 PolarHBondContact O-N 3.22Å; K31-E34 PolarHBondContact O-N 3.48Å; K31-C35 WeakPolarHBondContact O-CB 3.34Å; K31-C35 PolarHBondContact O-N 3.11Å; K31-C35 PolarHBondContact O-SG 2.98Å; K31-C35 VanDerWaalsContact O-SG 3.34Å; K31-V78 HydrophobicContact CB-CG1 3.88Å; K31-V78 HydrophobicContact CB-CG2 4.01Å; K31-E81 WeakPolarHBondContact CE-OE1 3.44Å; K31-E81 WeakPolarHBondContact CE-OE2 3.24Å; K31-E81 IonicContact NZ-OE1 3.91Å; K31-E81 IonicContact NZ-OE2 3.17Å; K31-E81 PolarHBondContact NZ-OE2 2.92Å
32L98.6Very high98.3Very high19 Ų1977.4 Ų77.410%0.09937%0.369CS..Hα-helixtrans-67.5-30.6175.5-68.2-178.6000112.3L28 A30 W37 R38 V74L28-L32 HydrophobicContact CD1-CD1 3.74Å; L28-L32 HydrophobicContact CD1-CD2 4.24Å; L28-L32 HydrophobicContact CD1-CG 3.76Å; L28-L32 HydrophobicContact CG-CD1 3.95Å; L28-L32 HydrophobicContact CG-CG 4.31Å; L28-L32 WeakPolarHBondContact O-CB 3.48Å; L28-L32 VanDerWaalsContact O-CG 3.27Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 3.03Å; A30-L32 PolarHBondContact O-N 3.1Å; L32-W37 HydrophobicContact CB-CB 4.04Å; L32-W37 HydrophobicContact CB-CD2 4.17Å; L32-W37 HydrophobicContact CB-CE3 3.9Å; L32-W37 HydrophobicContact CB-CG 4.26Å; L32-W37 HydrophobicContact CD1-CD2 4.05Å; L32-W37 HydrophobicContact CD1-CE3 3.94Å; L32-W37 HydrophobicContact CD1-CZ3 4.2Å; L32-W37 HydrophobicContact CD2-CB 3.92Å; L32-W37 HydrophobicContact CD2-CD2 4.09Å; L32-W37 HydrophobicContact CD2-CG 3.76Å; L32-W37 HydrophobicContact CG-CD2 4.33Å; L32-W37 HydrophobicContact CG-CE3 4.37Å; L32-W37 HydrophobicContact CG-CG 4.41Å; L32-W37 VanDerWaalsContact O-CB 3.25Å; L32-W37 WeakPolarHBondContact O-CB 3.47Å; L32-W37 PolarHBondContact O-N 3.16Å; L32-R38 PolarHBondContact O-N 3.41Å; L32-V74 HydrophobicContact CD2-CG1 4.17Å; L32-V74 HydrophobicContact CD2-CG2 4.19Å
33T98.4Very high98.3Very high70 Ų7075.8 Ų75.843%0.42937%0.369SS..Hα-helixtrans-72.5-48173.8-55.70000110.3R29 A30 K31 C35 G36R29-T33 WeakPolarHBondContact O-CB 3.42Å; R29-T33 PolarHBondContact O-N 2.98Å; R29-T33 PolarHBondContact O-OG1 2.88Å; A30-T33 WeakPolarHBondContact O-CB 3.18Å; A30-T33 PolarHBondContact O-N 3.46Å; A30-T33 VanDerWaalsContact O-N 3.11Å; K31-T33 VanDerWaalsContact C-N 3.29Å; K31-T33 PolarHBondContact O-N 3.22Å; T33-C35 PolarHBondContact O-N 3.37Å; T33-G36 PolarHBondContact O-N 3.26Å; T33-G36 VanDerWaalsContact O-N 3.09Å
34E98Very high98.3Very high153 Ų15372.7 Ų72.772%0.71536%0.36SS*.Hα-helixtrans-59.4-42.3-179.8-175-176.3-174.600112.7A30 K31 G36A30-E34 WeakPolarHBondContact O-CB 3.37Å; A30-E34 PolarHBondContact O-N 3.33Å; K31-E34 PolarHBondContact O-N 3.48Å; E34-G36 PolarHBondContact O-N 2.93Å
35C97.8Very high98.3Very high51 Ų5172.9 Ų72.935%0.34536%0.362SS..THydrogen-bonded Turntrans-81.96.117980.80000114K31 T33 W37 P75K31-C35 WeakPolarHBondContact O-CB 3.34Å; K31-C35 PolarHBondContact O-N 3.11Å; K31-C35 PolarHBondContact O-SG 2.98Å; K31-C35 VanDerWaalsContact O-SG 3.34Å; T33-C35 PolarHBondContact O-N 3.37Å; C35-W37 VanDerWaalsContact C-N 3.29Å; C35-W37 PolarHBondContact O-N 3.19Å; C35-P75 HydrophobicContact CB-CG 4.36Å
36G98.3Very high98.2Very high19 Ų1974.5 Ų74.520%0.19637%0.37CS..THydrogen-bonded Turntrans72.613.317900000115.2T33 E34 R38 D39 Q40T33-G36 PolarHBondContact O-N 3.26Å; T33-G36 VanDerWaalsContact O-N 3.09Å; E34-G36 PolarHBondContact O-N 2.93Å; G36-R38 VanDerWaalsContact C-N 3.28Å; G36-R38 PolarHBondContact O-N 3.45Å; G36-D39 PolarHBondContact O-N 3.27Å; G36-Q40 WeakPolarHBondContact O-CG 3.27Å; G36-Q40 PolarHBondContact O-N 3.36Å
37W98.7Very high98.1Very high57 Ų5773.9 Ų73.922%0.21637%0.37CS..Hα-helixtrans-58.7-41.4178.4171.597.3000111.4L32 C35 D39 Q40 L41 G70 L73L32-W37 HydrophobicContact CB-CB 4.04Å; L32-W37 HydrophobicContact CB-CD2 4.17Å; L32-W37 HydrophobicContact CB-CE3 3.9Å; L32-W37 HydrophobicContact CB-CG 4.26Å; L32-W37 HydrophobicContact CD1-CD2 4.05Å; L32-W37 HydrophobicContact CD1-CE3 3.94Å; L32-W37 HydrophobicContact CD1-CZ3 4.2Å; L32-W37 HydrophobicContact CD2-CB 3.92Å; L32-W37 HydrophobicContact CD2-CD2 4.09Å; L32-W37 HydrophobicContact CD2-CG 3.76Å; L32-W37 HydrophobicContact CG-CD2 4.33Å; L32-W37 HydrophobicContact CG-CE3 4.37Å; L32-W37 HydrophobicContact CG-CG 4.41Å; L32-W37 VanDerWaalsContact O-CB 3.25Å; L32-W37 WeakPolarHBondContact O-CB 3.47Å; L32-W37 PolarHBondContact O-N 3.16Å; C35-W37 VanDerWaalsContact C-N 3.29Å; C35-W37 PolarHBondContact O-N 3.19Å; W37-D39 VanDerWaalsContact C-N 3.34Å; W37-D39 PolarHBondContact O-N 2.93Å; W37-Q40 PolarHBondContact O-N 3.37Å; W37-L41 HydrophobicContact CH2-CD2 3.48Å; W37-L41 VanDerWaalsContact CH2-CD2 3.48Å; W37-L41 HydrophobicContact CZ2-CD2 3.47Å; W37-L41 VanDerWaalsContact CZ2-CD2 3.47Å; W37-L41 HydrophobicContact CZ3-CD2 4.18Å; W37-L41 WeakPolarHBondContact O-CB 3.25Å; W37-L41 PolarHBondContact O-N 3.07Å; W37-G70 PolarHBondContact NE1-O 3.01Å; W37-L73 VanDerWaalsContact CD1-CB 3.48Å
38R98Very high98Very high159 Ų15973.2 Ų73.260%0.637%0.367SS*.Hα-helixtrans-61.5-42.9179.9-175.6179.6-177.5-166.9-0.2111.7L32 G36 K42L32-R38 PolarHBondContact O-N 3.41Å; G36-R38 VanDerWaalsContact C-N 3.28Å; G36-R38 PolarHBondContact O-N 3.45Å; R38-K42 VanDerWaalsContact O-CB 3.28Å; R38-K42 WeakPolarHBondContact O-CB 3.42Å; R38-K42 PolarHBondContact O-N 3.34Å
39D98.4Very high98Very high106 Ų10672.8 Ų72.857%0.56736%0.364SS*.Hα-helixtrans-72.9-41.4-177.5-64.8-35000111.5G36 W37 K42 A43G36-D39 PolarHBondContact O-N 3.27Å; W37-D39 VanDerWaalsContact C-N 3.34Å; W37-D39 PolarHBondContact O-N 2.93Å; D39-K42 PolarHBondContact O-N 3.34Å; D39-A43 WeakPolarHBondContact O-CB 3.47Å; D39-A43 PolarHBondContact O-N 3.3Å
40Q98.3Very high97.9Very high100 Ų10075 Ų7547%0.46738%0.377SS..Hα-helixtrans-61.6-44174.5-71.1179.159.400111.9G36 W37 A43 H44 L73G36-Q40 WeakPolarHBondContact O-CG 3.27Å; G36-Q40 PolarHBondContact O-N 3.36Å; W37-Q40 PolarHBondContact O-N 3.37Å; Q40-A43 PolarHBondContact O-N 3.37Å; Q40-H44 PolarHBondContact O-N 3.09Å; Q40-H44 VanDerWaalsContact O-N 3.07Å; Q40-L73 HydrophobicContact CB-CD1 3.81Å; Q40-L73 VanDerWaalsContact OE1-CD2 3.26Å
41L98.2Very high97.7Very high22 Ų2280.5 Ų80.512%0.11539%0.394CS..Hα-helixtrans-67-41.1177.6-170.161.6000111.2W37 A43 H44 C45 I66W37-L41 HydrophobicContact CH2-CD2 3.48Å; W37-L41 VanDerWaalsContact CH2-CD2 3.48Å; W37-L41 HydrophobicContact CZ2-CD2 3.47Å; W37-L41 VanDerWaalsContact CZ2-CD2 3.47Å; W37-L41 HydrophobicContact CZ3-CD2 4.18Å; W37-L41 WeakPolarHBondContact O-CB 3.25Å; W37-L41 PolarHBondContact O-N 3.07Å; L41-A43 VanDerWaalsContact C-N 3.35Å; L41-A43 PolarHBondContact O-N 3.25Å; L41-H44 PolarHBondContact O-N 3.21Å; L41-C45 PolarHBondContact O-N 3.47Å; L41-C45 PolarHBondContact O-SG 3.43Å; L41-I66 HydrophobicContact CD1-CB 4.01Å; L41-I66 HydrophobicContact CD1-CG1 4.39Å
42K98.1Very high97.5Very high121 Ų12181.5 Ų81.553%0.52640%0.398SS..Hα-helixtrans-62-40175.6-176.4-179.9-179.6-177.50112.3R38 D39 C45 K46R38-K42 VanDerWaalsContact O-CB 3.28Å; R38-K42 WeakPolarHBondContact O-CB 3.42Å; R38-K42 PolarHBondContact O-N 3.34Å; D39-K42 PolarHBondContact O-N 3.34Å; K42-C45 PolarHBondContact O-N 3.27Å; K42-K46 WeakPolarHBondContact O-CG 3.45Å; K42-K46 PolarHBondContact O-N 3.44Å; K42-K46 VanDerWaalsContact O-N 3.16Å
43A98.2Very high97.3Very high48 Ų4881.8 Ų81.840%0.39741%0.406SS..Hα-helixtrans-61.3-47.9174.800000110.5D39 Q40 L41 C45 K46 D47D39-A43 WeakPolarHBondContact O-CB 3.47Å; D39-A43 PolarHBondContact O-N 3.3Å; Q40-A43 PolarHBondContact O-N 3.37Å; L41-A43 VanDerWaalsContact C-N 3.35Å; L41-A43 PolarHBondContact O-N 3.25Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-C45 PolarHBondContact O-N 2.9Å; A43-K46 WeakPolarHBondContact O-CB 3.22Å; A43-K46 PolarHBondContact O-N 3.4Å; A43-D47 PolarHBondContact O-N 2.78Å
44H97.4Very high97.1Very high54 Ų5485 Ų8525%0.2542%0.42CS..Hα-helixtrans-60.9-39.9176.7-173.451.1000113Q40 L41 K46 D47 V48Q40-H44 PolarHBondContact O-N 3.09Å; Q40-H44 VanDerWaalsContact O-N 3.07Å; L41-H44 PolarHBondContact O-N 3.21Å; H44-K46 VanDerWaalsContact C-N 3.28Å; H44-K46 PolarHBondContact O-N 3Å; H44-D47 PolarHBondContact O-N 3.32Å; H44-V48 WeakPolarHBondContact O-CG2 3.39Å; H44-V48 PolarHBondContact O-N 3.07Å
45C97.6Very high96.9Very high22 Ų2286.4 Ų86.415%0.14943%0.426CS..Hα-helixtrans-57.3-41.7172.8-62.50000112.1L41 K42 A43 D47 V48 I49 L62 I66L41-C45 PolarHBondContact O-N 3.47Å; L41-C45 PolarHBondContact O-SG 3.43Å; K42-C45 PolarHBondContact O-N 3.27Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-C45 PolarHBondContact O-N 2.9Å; C45-D47 VanDerWaalsContact C-N 3.35Å; C45-V48 PolarHBondContact O-N 2.83Å; C45-I49 VanDerWaalsContact O-CG1 3.26Å; C45-I49 WeakPolarHBondContact O-CG1 3.46Å; C45-I49 PolarHBondContact O-N 3.13Å; C45-L62 HydrophobicContact CB-CD1 4.41Å; C45-L62 HydrophobicContact CB-CD2 4.41Å; C45-I66 WeakPolarHBondContact SG-CD1 3.37Å
46K97.4Very high96.7Very high130 Ų13090.9 Ų90.957%0.56544%0.442SS*.Hα-helixtrans-65.8-39.2178.7-71177.8174.2-172.20111.6K42 A43 H44 I49 K50K42-K46 WeakPolarHBondContact O-CG 3.45Å; K42-K46 PolarHBondContact O-N 3.44Å; K42-K46 VanDerWaalsContact O-N 3.16Å; A43-K46 WeakPolarHBondContact O-CB 3.22Å; A43-K46 PolarHBondContact O-N 3.4Å; H44-K46 VanDerWaalsContact C-N 3.28Å; H44-K46 PolarHBondContact O-N 3Å; K46-I49 PolarHBondContact O-N 2.97Å; K46-K50 VanDerWaalsContact O-CB 3.3Å; K46-K50 WeakPolarHBondContact O-CB 3.34Å; K46-K50 PolarHBondContact O-N 2.97Å
47D97Very high96.5Very high96 Ų9691.1 Ų91.151%0.51344%0.439SS..Hα-helixtrans-63-45.6177-63-28.3000110.9A43 H44 C45 I49 K50 E51A43-D47 PolarHBondContact O-N 2.78Å; H44-D47 PolarHBondContact O-N 3.32Å; C45-D47 VanDerWaalsContact C-N 3.35Å; D47-I49 PolarHBondContact O-N 2.99Å; D47-K50 WeakPolarHBondContact O-CB 3.42Å; D47-K50 PolarHBondContact O-N 3.45Å; D47-E51 PolarHBondContact O-N 3.41Å
48V96.3Very high96.4Very high8 Ų891.7 Ų91.75%0.04845%0.449CS..Hα-helixtrans-60.9-46176172.40000111.7H44 C45 K50 E51 K52 L62 E65 I66H44-V48 WeakPolarHBondContact O-CG2 3.39Å; H44-V48 PolarHBondContact O-N 3.07Å; C45-V48 PolarHBondContact O-N 2.83Å; V48-K50 VanDerWaalsContact C-N 3.29Å; V48-K50 PolarHBondContact O-N 2.91Å; V48-E51 PolarHBondContact O-N 2.92Å; V48-K52 HydrophobicContact CG1-CD 4.1Å; V48-K52 HydrophobicContact CG1-CG 4.46Å; V48-K52 PolarHBondContact O-N 3.34Å; V48-L62 HydrophobicContact CB-CD1 3.99Å; V48-L62 HydrophobicContact CG1-CD1 3.69Å; V48-E65 HydrophobicContact CB-CG 4.47Å; V48-E65 HydrophobicContact CG1-CB 4.19Å; V48-E65 HydrophobicContact CG1-CG 3.79Å; V48-E65 HydrophobicContact CG2-CG 3.77Å; V48-I66 HydrophobicContact CG2-CG2 4.44Å
49I96.9Very high96.4Very high50 Ų5089.1 Ų89.126%0.25645%0.451SS..Hα-helixtrans-63.7-38.1178-68.1166.1000110.7C45 K46 D47 E51 G53 L54 V57 L62C45-I49 VanDerWaalsContact O-CG1 3.26Å; C45-I49 WeakPolarHBondContact O-CG1 3.46Å; C45-I49 PolarHBondContact O-N 3.13Å; K46-I49 PolarHBondContact O-N 2.97Å; D47-I49 PolarHBondContact O-N 2.99Å; I49-E51 VanDerWaalsContact C-N 3.35Å; I49-G53 CarbonylContact O-C 3.55Å; I49-G53 VanDerWaalsContact O-CA 3.3Å; I49-G53 WeakPolarHBondContact O-CA 3.38Å; I49-G53 PolarHBondContact O-N 3.11Å; I49-L54 HydrophobicContact CG2-CB 4.41Å; I49-L54 HydrophobicContact CG2-CD1 3.96Å; I49-V57 HydrophobicContact CG1-CG1 4.17Å; I49-L62 HydrophobicContact CD1-CD2 4.04Å; I49-L62 HydrophobicContact CG1-CD1 4.16Å; I49-L62 HydrophobicContact CG1-CD2 4.35Å
50K96.7Very high96.3Very high181 Ų18190.3 Ų90.379%0.78745%0.453SS*.Hα-helixtrans-66.1-37.8177.4-176.1-177.3176.2-172.90111.9K46 D47 V48K46-K50 VanDerWaalsContact O-CB 3.3Å; K46-K50 WeakPolarHBondContact O-CB 3.34Å; K46-K50 PolarHBondContact O-N 2.97Å; D47-K50 WeakPolarHBondContact O-CB 3.42Å; D47-K50 PolarHBondContact O-N 3.45Å; V48-K50 VanDerWaalsContact C-N 3.29Å; V48-K50 PolarHBondContact O-N 2.91Å
51E95.9Very high96.2Very high170 Ų17089 Ų8979%0.79445%0.449SS*.Hα-helixtrans-73.2-45.5178.9-174.8178.7173.200112.4D47 V48 I49D47-E51 PolarHBondContact O-N 3.41Å; V48-E51 PolarHBondContact O-N 2.92Å; I49-E51 VanDerWaalsContact C-N 3.35Å
52K94.4Very high96.1Very high76 Ų7689.4 Ų89.433%0.3345%0.451SS..Hα-helixtrans-80.9-27.9-177.7-65.2-170.9179.6-176.80113.4V48 H56 V57 E65V48-K52 HydrophobicContact CG1-CD 4.1Å; V48-K52 HydrophobicContact CG1-CG 4.46Å; V48-K52 PolarHBondContact O-N 3.34Å; K52-H56 WeakPolarHBondContact O-CB 3.45Å; K52-H56 PolarHBondContact O-CD2 2.9Å; K52-V57 HydrophobicContact CB-CB 4.42Å; K52-V57 HydrophobicContact CD-CG2 4.34Å; K52-E65 IonicContact NZ-OE2 2.72Å; K52-E65 PolarHBondContact NZ-OE2 3.44Å
53G94.4Very high96.1Very high25 Ų2587 Ų8726%0.25845%0.447SS..  trans86139.2-169.900000112.1I49 E55 H56I49-G53 CarbonylContact O-C 3.55Å; I49-G53 VanDerWaalsContact O-CA 3.3Å; I49-G53 WeakPolarHBondContact O-CA 3.38Å; I49-G53 PolarHBondContact O-N 3.11Å; G53-E55 PolarHBondContact O-N 3.05Å; G53-H56 PolarHBondContact O-N 3.48Å; G53-H56 VanDerWaalsContact O-N 3.09Å
54L93.9Very high96Very high138 Ų13889.9 Ų89.972%0.72346%0.459SS*.G310 helixtrans-61.2-31.4-174.5-173.365.6000113.1I49 H56I49-L54 HydrophobicContact CG2-CB 4.41Å; I49-L54 HydrophobicContact CG2-CD1 3.96Å; L54-H56 VanDerWaalsContact C-N 3.28Å; L54-H56 PolarHBondContact O-N 3.44Å
55E94.1Very high95.9Very high182 Ų18291.4 Ų91.485%0.8547%0.466SS*.G310 helixtrans-77.9-11.5-179.5-60.6-177.5176.900113.3G53G53-E55 PolarHBondContact O-N 3.05Å
56H93Very high95.9Very high145 Ų14591.4 Ų91.467%0.67147%0.465SS*.G310 helixtrans-115.810.2-173.4-55.8-52.7000113.5K52 G53 L54K52-H56 WeakPolarHBondContact O-CB 3.45Å; K52-H56 PolarHBondContact O-CD2 2.9Å; G53-H56 PolarHBondContact O-N 3.48Å; G53-H56 VanDerWaalsContact O-N 3.09Å; L54-H56 VanDerWaalsContact C-N 3.28Å; L54-H56 PolarHBondContact O-N 3.44Å
57V94.2Very high96Very high24 Ų2487.4 Ų87.415%0.14545%0.451CS..  trans-129117.9-177.467.30000111I49 K52 D61 L62I49-V57 HydrophobicContact CG1-CG1 4.17Å; K52-V57 HydrophobicContact CB-CB 4.42Å; K52-V57 HydrophobicContact CD-CG2 4.34Å; V57-D61 HydrophobicContact CG2-CB 4.11Å; V57-L62 HydrophobicContact CG2-CB 4.1Å
58T96.4Very high96Very high68 Ų6886.6 Ų86.642%0.41745%0.451SS..  trans-82.4168.1168.8670000110.9E60 D61 L62T58-E60 PolarHBondContact O-N 2.85Å; T58-D61 WeakPolarHBondContact CB-OD2 3.36Å; T58-D61 PolarHBondContact N-OD2 2.98Å; T58-D61 VanDerWaalsContact N-OD2 3.08Å; T58-D61 PolarHBondContact O-N 3.42Å; T58-D61 PolarHBondContact OG1-N 2.95Å; T58-D61 VanDerWaalsContact OG1-N 3.09Å; T58-D61 PolarHBondContact OG1-OD2 3.32Å; T58-L62 WeakPolarHBondContact O-CB 3.42Å; T58-L62 PolarHBondContact O-N 3.22Å
59V97Very high96.1Very high105 Ų10590.7 Ų90.764%0.63647%0.468SS*.Hα-helixtrans-63.2-38.5173.8174.80000110.1L62 V63V59-L62 PolarHBondContact O-N 3.47Å; V59-V63 HydrophobicContact CG1-CG2 4.29Å; V59-V63 WeakPolarHBondContact O-CB 3.41Å; V59-V63 VanDerWaalsContact O-CG2 3.26Å; V59-V63 WeakPolarHBondContact O-CG2 3.47Å; V59-V63 PolarHBondContact O-N 3.5Å
60E97.1Very high96.2Very high131 Ų13188.6 Ų88.661%0.61246%0.459SS*.Hα-helixtrans-62.1-47.4177.9-67.469-15500111.3T58 L62 V63 V64T58-E60 PolarHBondContact O-N 2.85Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 3.01Å; E60-V63 PolarHBondContact O-N 2.8Å; E60-V64 WeakPolarHBondContact O-CG2 3.46Å; E60-V64 PolarHBondContact O-N 3.1Å
61D95.2Very high96.2Very high73 Ų7388.9 Ų88.939%0.3946%0.455SS..Hα-helixtrans-59.9-43.2175.8-62.1-45000111.2V57 T58 V64 E65V57-D61 HydrophobicContact CG2-CB 4.11Å; T58-D61 WeakPolarHBondContact CB-OD2 3.36Å; T58-D61 PolarHBondContact N-OD2 2.98Å; T58-D61 VanDerWaalsContact N-OD2 3.08Å; T58-D61 PolarHBondContact O-N 3.42Å; T58-D61 PolarHBondContact OG1-N 2.95Å; T58-D61 VanDerWaalsContact OG1-N 3.09Å; T58-D61 PolarHBondContact OG1-OD2 3.32Å; D61-V64 PolarHBondContact O-N 3.37Å; D61-E65 WeakPolarHBondContact O-CB 3.44Å; D61-E65 PolarHBondContact O-N 3.28Å
62L96.7Very high96.3Very high30 Ų3086.4 Ų86.416%0.15745%0.451CS..Hα-helixtrans-64.9-43.1178.6-172.563.9000111C45 V48 I49 V57 T58 V59 E60 V64 E65 I66C45-L62 HydrophobicContact CB-CD1 4.41Å; C45-L62 HydrophobicContact CB-CD2 4.41Å; V48-L62 HydrophobicContact CB-CD1 3.99Å; V48-L62 HydrophobicContact CG1-CD1 3.69Å; I49-L62 HydrophobicContact CD1-CD2 4.04Å; I49-L62 HydrophobicContact CG1-CD1 4.16Å; I49-L62 HydrophobicContact CG1-CD2 4.35Å; V57-L62 HydrophobicContact CG2-CB 4.1Å; T58-L62 WeakPolarHBondContact O-CB 3.42Å; T58-L62 PolarHBondContact O-N 3.22Å; V59-L62 PolarHBondContact O-N 3.47Å; E60-L62 VanDerWaalsContact C-N 3.3Å; E60-L62 PolarHBondContact O-N 3.01Å; L62-V64 VanDerWaalsContact C-N 3.34Å; L62-V64 PolarHBondContact O-N 2.91Å; L62-E65 PolarHBondContact O-N 3.24Å; L62-I66 HydrophobicContact CD1-CG2 3.83Å; L62-I66 HydrophobicContact CG-CD1 4.47Å; L62-I66 HydrophobicContact CG-CG2 4.22Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 WeakPolarHBondContact O-CG2 3.36Å; L62-I66 PolarHBondContact O-N 3.5Å
63V97.8Very high96.5Very high72 Ų7284.3 Ų84.344%0.43644%0.443SS..Hα-helixtrans-60.3-44.6176.91670000110.9V59 E60 E65 T67V59-V63 HydrophobicContact CG1-CG2 4.29Å; V59-V63 WeakPolarHBondContact O-CB 3.41Å; V59-V63 VanDerWaalsContact O-CG2 3.26Å; V59-V63 WeakPolarHBondContact O-CG2 3.47Å; V59-V63 PolarHBondContact O-N 3.5Å; E60-V63 PolarHBondContact O-N 2.8Å; V63-E65 VanDerWaalsContact C-N 3.32Å; V63-E65 PolarHBondContact O-N 3.49Å; V63-T67 WeakPolarHBondContact O-CB 3.43Å; V63-T67 PolarHBondContact O-N 3.39Å; V63-T67 PolarHBondContact O-OG1 3.42Å
64V97.3Very high96.7Very high107 Ų10784.5 Ų84.565%0.64844%0.439SS*.Hα-helixtrans-58.6-46.1176.5170.90000110.6E60 D61 L62 P68E60-V64 WeakPolarHBondContact O-CG2 3.46Å; E60-V64 PolarHBondContact O-N 3.1Å; D61-V64 PolarHBondContact O-N 3.37Å; L62-V64 VanDerWaalsContact C-N 3.34Å; L62-V64 PolarHBondContact O-N 2.91Å; V64-P68 VanDerWaalsContact O-CD 3.28Å; V64-P68 WeakPolarHBondContact O-CD 3.49Å
65E95.5Very high96.9Very high87 Ų8779.9 Ų79.941%0.40742%0.418SS..Hα-helixtrans-66.6-46.1-177.6-159.670.5-137.600112.8V48 K52 D61 L62 V63 P68V48-E65 HydrophobicContact CB-CG 4.47Å; V48-E65 HydrophobicContact CG1-CB 4.19Å; V48-E65 HydrophobicContact CG1-CG 3.79Å; V48-E65 HydrophobicContact CG2-CG 3.77Å; K52-E65 IonicContact NZ-OE2 2.72Å; K52-E65 PolarHBondContact NZ-OE2 3.44Å; D61-E65 WeakPolarHBondContact O-CB 3.44Å; D61-E65 PolarHBondContact O-N 3.28Å; L62-E65 PolarHBondContact O-N 3.24Å; V63-E65 VanDerWaalsContact C-N 3.32Å; V63-E65 PolarHBondContact O-N 3.49Å; E65-P68 WeakPolarHBondContact O-CD 3.48Å
66I97.5Very high97.1Very high21 Ų2175.9 Ų75.911%0.10840%0.403CS..Hα-helixtrans-86.6-21.6-170.574.1-179.1000113.2L41 C45 V48 L62 K69 G70L41-I66 HydrophobicContact CD1-CB 4.01Å; L41-I66 HydrophobicContact CD1-CG1 4.39Å; C45-I66 WeakPolarHBondContact SG-CD1 3.37Å; V48-I66 HydrophobicContact CG2-CG2 4.44Å; L62-I66 HydrophobicContact CD1-CG2 3.83Å; L62-I66 HydrophobicContact CG-CD1 4.47Å; L62-I66 HydrophobicContact CG-CG2 4.22Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 WeakPolarHBondContact O-CG2 3.36Å; L62-I66 PolarHBondContact O-N 3.5Å; I66-K69 PolarHBondContact O-N 2.87Å; I66-G70 PolarHBondContact O-N 3.38Å
67T98.2Very high97.4Very high47 Ų4772.9 Ų72.929%0.28840%0.398SS..Hα-helixtrans-58.5-44.8-174.3-71.20000113V63 K69 G70 R71V63-T67 WeakPolarHBondContact O-CB 3.43Å; V63-T67 PolarHBondContact O-N 3.39Å; V63-T67 PolarHBondContact O-OG1 3.42Å; T67-K69 PolarHBondContact O-N 2.87Å; T67-G70 PolarHBondContact O-N 3.48Å; T67-R71 HydrophobicContact CG2-CG 4.39Å; T67-R71 WeakPolarHBondContact O-CG 3.47Å; T67-R71 PolarHBondContact O-N 2.97Å
68P98.3Very high97.6Very high78 Ų7872.1 Ų72.151%0.50639%0.393SS..Hα-helixtrans-55.7-48.2175.3-26.535.5000112.5V64 E65 G70 R71 V72V64-P68 VanDerWaalsContact O-CD 3.28Å; V64-P68 WeakPolarHBondContact O-CD 3.49Å; E65-P68 WeakPolarHBondContact O-CD 3.48Å; P68-G70 PolarHBondContact O-N 3.43Å; P68-R71 PolarHBondContact O-N 2.78Å; P68-V72 WeakPolarHBondContact O-CG2 3.34Å; P68-V72 PolarHBondContact O-N 3.03Å; P68-V72 VanDerWaalsContact O-N 3.13Å
69K97.6Very high97.7Very high94 Ų9473.6 Ų73.641%0.40939%0.394SS..Hα-helixtrans-62.3-45.2176.9-176.265.5172.4-173.10111.3I66 T67 R71 V72 L73I66-K69 PolarHBondContact O-N 2.87Å; T67-K69 PolarHBondContact O-N 2.87Å; K69-R71 VanDerWaalsContact C-N 3.29Å; K69-R71 PolarHBondContact O-N 3.09Å; K69-V72 PolarHBondContact O-N 3.34Å; K69-L73 HydrophobicContact CD-CD1 4.32Å; K69-L73 HydrophobicContact CD-CG 4.21Å; K69-L73 HydrophobicContact CG-CD1 3.95Å; K69-L73 HydrophobicContact CG-CG 4.26Å; K69-L73 VanDerWaalsContact O-CG 3.31Å; K69-L73 WeakPolarHBondContact O-CG 3.19Å; K69-L73 PolarHBondContact O-N 3.3Å
70G98.3Very high97.7Very high6 Ų675.3 Ų75.36%0.06239%0.392CS..Hα-helixtrans-56-41.5176.900000112.7W37 I66 T67 P68 V74W37-G70 PolarHBondContact NE1-O 3.01Å; I66-G70 PolarHBondContact O-N 3.38Å; T67-G70 PolarHBondContact O-N 3.48Å; P68-G70 PolarHBondContact O-N 3.43Å; G70-V74 WeakPolarHBondContact O-CG2 3.32Å
71R98.2Very high97.8Very high188 Ų18871.8 Ų71.871%0.70938%0.376SS*.Hα-helixtrans-68.6-41.2177.3-70.4176.8-176-1794.1112.8T67 P68 K69 V74T67-R71 HydrophobicContact CG2-CG 4.39Å; T67-R71 WeakPolarHBondContact O-CG 3.47Å; T67-R71 PolarHBondContact O-N 2.97Å; P68-R71 PolarHBondContact O-N 2.78Å; K69-R71 VanDerWaalsContact C-N 3.29Å; K69-R71 PolarHBondContact O-N 3.09Å; R71-V74 PolarHBondContact O-N 3.12Å
72V98Very high97.9Very high117 Ų11769.7 Ų69.771%0.70937%0.365SS*.Hα-helixtrans-66.7-37.6179.5171.10000111.6P68 K69 V74P68-V72 WeakPolarHBondContact O-CG2 3.34Å; P68-V72 PolarHBondContact O-N 3.03Å; P68-V72 VanDerWaalsContact O-N 3.13Å; K69-V72 PolarHBondContact O-N 3.34Å; V72-V74 PolarHBondContact O-N 3.35Å
73L98.1Very high98Very high32 Ų3271.9 Ų71.917%0.16838%0.376CS..THydrogen-bonded Turntrans-69.4-12.3-178.1-73.6177.9000114.4W37 Q40 K69 P75W37-L73 VanDerWaalsContact CD1-CB 3.48Å; Q40-L73 HydrophobicContact CB-CD1 3.81Å; Q40-L73 VanDerWaalsContact OE1-CD2 3.26Å; K69-L73 HydrophobicContact CD-CD1 4.32Å; K69-L73 HydrophobicContact CD-CG 4.21Å; K69-L73 HydrophobicContact CG-CD1 3.95Å; K69-L73 HydrophobicContact CG-CG 4.26Å; K69-L73 VanDerWaalsContact O-CG 3.31Å; K69-L73 WeakPolarHBondContact O-CG 3.19Å; K69-L73 PolarHBondContact O-N 3.3Å; L73-P75 WeakPolarHBondContact O-CD 3.5Å
74V98.5Very high98Very high29 Ų2973.8 Ų73.818%0.17638%0.38CS..SBendtrans-72.1114.5179.4-178.80000109.8L32 G70 R71 V72 K79L32-V74 HydrophobicContact CD2-CG1 4.17Å; L32-V74 HydrophobicContact CD2-CG2 4.19Å; G70-V74 WeakPolarHBondContact O-CG2 3.32Å; R71-V74 PolarHBondContact O-N 3.12Å; V72-V74 PolarHBondContact O-N 3.35Å; V74-K79 HydrophobicContact CG1-CG 4.01Å; V74-K79 WeakPolarHBondContact O-CE 3.31Å; V74-K79 PolarHBondContact O-NZ 3.09Å
75P98.5Very high98Very high42 Ų4274 Ų7427%0.27337%0.37SS..  trans-64.5143.1-179.1-19.933.3000111.8C35 L73 S77 V78 K79C35-P75 HydrophobicContact CB-CG 4.36Å; L73-P75 WeakPolarHBondContact O-CD 3.5Å; P75-S77 PolarHBondContact O-N 2.94Å; P75-V78 HydrophobicContact CB-CG2 4.21Å; P75-V78 HydrophobicContact CG-CG2 4.2Å; P75-V78 WeakPolarHBondContact O-CB 3.4Å; P75-V78 PolarHBondContact O-N 2.87Å; P75-V78 VanDerWaalsContact O-N 3.07Å; P75-K79 PolarHBondContact O-N 3.37Å
76D98.4Very high98.1Very high98 Ų9872.2 Ų72.252%0.52436%0.362SS..Hα-helixtrans-65.4-24.6178-73.8-14.2000112.8V78 K79 K80D76-V78 VanDerWaalsContact C-N 3.32Å; D76-V78 PolarHBondContact O-N 3.27Å; D76-K79 PolarHBondContact O-N 2.94Å; D76-K79 IonicContact OD1-NZ 2.82Å; D76-K79 PolarHBondContact OD1-NZ 3.09Å; D76-K80 WeakPolarHBondContact O-CB 3.45Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.36Å
77S98Very high98.1Very high81 Ų8177.8 Ų77.857%0.56638%0.382SS*.Hα-helixtrans-59.1-42.1171.252.50000112P75 K80 E81P75-S77 PolarHBondContact O-N 2.94Å; S77-K80 PolarHBondContact O-N 2.86Å; S77-E81 WeakPolarHBondContact O-CB 3.42Å; S77-E81 PolarHBondContact O-N 2.88Å
78V98.4Very high98Very high8 Ų877.8 Ų77.85%0.04839%0.387CS..Hα-helixtrans-66.1-44.1177.6-179.30000110.8L28 K31 P75 D76 K80 E81 L82L28-V78 HydrophobicContact CD1-CG1 3.74Å; K31-V78 HydrophobicContact CB-CG1 3.88Å; K31-V78 HydrophobicContact CB-CG2 4.01Å; P75-V78 HydrophobicContact CB-CG2 4.21Å; P75-V78 HydrophobicContact CG-CG2 4.2Å; P75-V78 WeakPolarHBondContact O-CB 3.4Å; P75-V78 PolarHBondContact O-N 2.87Å; P75-V78 VanDerWaalsContact O-N 3.07Å; D76-V78 VanDerWaalsContact C-N 3.32Å; D76-V78 PolarHBondContact O-N 3.27Å; V78-K80 PolarHBondContact O-N 3Å; V78-E81 PolarHBondContact O-N 3.25Å; V78-L82 HydrophobicContact CG1-CD1 4.34Å; V78-L82 PolarHBondContact O-N 2.96Å; V78-L82 VanDerWaalsContact O-N 3.1Å
79K98.4Very high98Very high99 Ų9974.4 Ų74.443%0.4336%0.364SS..Hα-helixtrans-61.8-43.8176.3-60174.9-163.5150.60111.3V74 P75 D76 L82 L83V74-K79 HydrophobicContact CG1-CG 4.01Å; V74-K79 WeakPolarHBondContact O-CE 3.31Å; V74-K79 PolarHBondContact O-NZ 3.09Å; P75-K79 PolarHBondContact O-N 3.37Å; D76-K79 PolarHBondContact O-N 2.94Å; D76-K79 IonicContact OD1-NZ 2.82Å; D76-K79 PolarHBondContact OD1-NZ 3.09Å; K79-L82 PolarHBondContact O-N 3.49Å; K79-L83 WeakPolarHBondContact O-CB 3.49Å; K79-L83 PolarHBondContact O-N 3.45Å
80K98.4Very high97.9Very high141 Ų14172.3 Ų72.361%0.61336%0.357SS*.Hα-helixtrans-62.8-44.8177.4-75.3173.3-175.6178.80111.4D76 S77 V78 L82 L83 Q84D76-K80 WeakPolarHBondContact O-CB 3.45Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.36Å; S77-K80 PolarHBondContact O-N 2.86Å; V78-K80 PolarHBondContact O-N 3Å; K80-L82 PolarHBondContact O-N 3.29Å; K80-L83 PolarHBondContact O-N 3.44Å; K80-Q84 WeakPolarHBondContact O-CG 3.41Å; K80-Q84 PolarHBondContact O-N 3.32Å
81E98.1Very high97.8Very high57 Ų5775.5 Ų75.527%0.26638%0.383SS..Hα-helixtrans-60-47.3178.3-171.9178161.500111.5K31 S77 V78 L83 Q84 R85K31-E81 WeakPolarHBondContact CE-OE1 3.44Å; K31-E81 WeakPolarHBondContact CE-OE2 3.24Å; K31-E81 IonicContact NZ-OE1 3.91Å; K31-E81 IonicContact NZ-OE2 3.17Å; K31-E81 PolarHBondContact NZ-OE2 2.92Å; S77-E81 WeakPolarHBondContact O-CB 3.42Å; S77-E81 PolarHBondContact O-N 2.88Å; V78-E81 PolarHBondContact O-N 3.25Å; E81-L83 PolarHBondContact O-N 2.95Å; E81-Q84 PolarHBondContact O-N 3.44Å; E81-R85 PolarHBondContact O-N 3.3Å; E81-R85 IonicContact OE1-CZ 2.71Å; E81-R85 IonicContact OE1-NE 3.84Å; E81-R85 IonicContact OE1-NH2 3.15Å; E81-R85 PolarHBondContact OE1-NH2 3.47Å; E81-R85 VanDerWaalsContact OE1-NH2 3.17Å
82L98.3Very high97.6Very high29 Ų2973.8 Ų73.815%0.15238%0.383CS..Hα-helixtrans-61.3-44.3176.6-75.5166.3000112.3L24 L27 L28 V78 K79 K80 Q84 R85 I86L24-L82 HydrophobicContact CB-CD2 4.11Å; L24-L82 HydrophobicContact CD2-CD2 3.68Å; L24-L82 WeakPolarHBondContact O-CD2 3.28Å; L27-L82 HydrophobicContact CD2-CD2 3.96Å; L28-L82 HydrophobicContact CB-CD1 4.02Å; L28-L82 HydrophobicContact CB-CD2 4.46Å; L28-L82 HydrophobicContact CD1-CD1 3.73Å; L28-L82 HydrophobicContact CD2-CD1 4.43Å; L28-L82 HydrophobicContact CG-CD1 4.25Å; V78-L82 HydrophobicContact CG1-CD1 4.34Å; V78-L82 PolarHBondContact O-N 2.96Å; V78-L82 VanDerWaalsContact O-N 3.1Å; K79-L82 PolarHBondContact O-N 3.49Å; K80-L82 PolarHBondContact O-N 3.29Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 2.88Å; L82-R85 PolarHBondContact O-N 3.33Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 3.49Å
83L98.2Very high97.3Very high76 Ų7670.7 Ų70.740%0.39836%0.361SS..Hα-helixtrans-62-39.8178-179.760.5000111.9K79 K80 E81 I86 R87K79-L83 WeakPolarHBondContact O-CB 3.49Å; K79-L83 PolarHBondContact O-N 3.45Å; K80-L83 PolarHBondContact O-N 3.44Å; E81-L83 PolarHBondContact O-N 2.95Å; L83-I86 PolarHBondContact O-N 2.95Å; L83-R87 WeakPolarHBondContact O-CG 3.36Å; L83-R87 PolarHBondContact O-N 2.88Å
84Q98.1Very high96.4Very high112 Ų11273 Ų7352%0.52339%0.385SS..Hα-helixtrans-64.9-41.2176.1-69.9-60.3-11.300111.8K80 E81 L82 R87 A88K80-Q84 WeakPolarHBondContact O-CG 3.41Å; K80-Q84 PolarHBondContact O-N 3.32Å; E81-Q84 PolarHBondContact O-N 3.44Å; L82-Q84 VanDerWaalsContact C-N 3.31Å; L82-Q84 PolarHBondContact O-N 2.88Å; Q84-R87 PolarHBondContact O-N 3.14Å; Q84-A88 WeakPolarHBondContact O-CB 3.28Å; Q84-A88 PolarHBondContact O-N 3.3Å
85R97.3Very high94.5Very high113 Ų11380.9 Ų80.943%0.42643%0.433SS..Hα-helixtrans-63.9-42.5175.1-69-163.5-171.4-157.87.1112.7L24 L27 E81 L82 R87 A88 F89L24-R85 HydrophobicContact CD2-CB 3.82Å; L27-R85 VanDerWaalsContact CD2-CD 3.45Å; E81-R85 PolarHBondContact O-N 3.3Å; E81-R85 IonicContact OE1-CZ 2.71Å; E81-R85 IonicContact OE1-NE 3.84Å; E81-R85 IonicContact OE1-NH2 3.15Å; E81-R85 PolarHBondContact OE1-NH2 3.47Å; E81-R85 VanDerWaalsContact OE1-NH2 3.17Å; L82-R85 PolarHBondContact O-N 3.33Å; R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 3.04Å; R85-A88 PolarHBondContact O-N 2.92Å; R85-F89 WeakPolarHBondContact O-CB 3.49Å; R85-F89 PolarHBondContact O-N 3.17Å
86I97.3Very high94.3Very high49 Ų4982.8 Ų82.825%0.25144%0.441SS..Hα-helixtrans-59.4-45.7174.6-68.1165.4000110.6L24 L82 L83 F89 L90L24-I86 HydrophobicContact CD1-CD1 4.2Å; L24-I86 HydrophobicContact CD1-CG1 3.59Å; L24-I86 HydrophobicContact CD2-CG1 4.25Å; L82-I86 WeakPolarHBondContact O-CG1 3.42Å; L82-I86 PolarHBondContact O-N 3.49Å; L83-I86 PolarHBondContact O-N 2.95Å; I86-F89 PolarHBondContact O-N 3.1Å; I86-L90 HydrophobicContact CG2-CD1 4Å; I86-L90 HydrophobicContact CG2-CG 4.46Å; I86-L90 WeakPolarHBondContact O-CB 3.38Å; I86-L90 VanDerWaalsContact O-CG 3.28Å; I86-L90 WeakPolarHBondContact O-CG 3.31Å; I86-L90 PolarHBondContact O-N 3.36Å
87R97.1Very high94.1Very high137 Ų13782 Ų8252%0.51744%0.436SS..Hα-helixtrans-63-44.8177.6-75.2174.8174.7158-2.9112.4L83 Q84 R85 L90 A91L83-R87 WeakPolarHBondContact O-CG 3.36Å; L83-R87 PolarHBondContact O-N 2.88Å; Q84-R87 PolarHBondContact O-N 3.14Å; R85-R87 VanDerWaalsContact C-N 3.34Å; R85-R87 PolarHBondContact O-N 3.04Å; R87-L90 PolarHBondContact O-N 2.56Å; R87-A91 WeakPolarHBondContact O-CB 3.4Å; R87-A91 PolarHBondContact O-N 2.71Å
88A97.2Very high93.8Very high47 Ų4782.1 Ų82.139%0.38843%0.429SS..Hα-helixtrans-62-44.8177.700000111.5Q84 R85 L90 A91 Q92Q84-A88 WeakPolarHBondContact O-CB 3.28Å; Q84-A88 PolarHBondContact O-N 3.3Å; R85-A88 PolarHBondContact O-N 2.92Å; A88-L90 PolarHBondContact O-N 2.87Å; A88-A91 PolarHBondContact O-N 2.78Å; A88-Q92 WeakPolarHBondContact O-CB 3.12Å; A88-Q92 VanDerWaalsContact O-CG 3.31Å; A88-Q92 WeakPolarHBondContact O-CG 3.02Å; A88-Q92 PolarHBondContact O-N 3.42Å
89F97.1Very high93.6Very high7 Ų786.4 Ų86.43%0.03145%0.452CS..Hα-helixtrans-58.9-47.8174.8171.8-93.6000111.6K14 L15 M18 E20 R85 I86 A91 Q92 H93K14-F89 HydrophobicContact CD-CE1 4.43Å; K14-F89 HydrophobicContact CG-CE1 4.02Å; K14-F89 HydrophobicContact CG-CZ 4.16Å; L15-F89 HydrophobicContact CD2-CD1 3.46Å; L15-F89 VanDerWaalsContact CD2-CD1 3.46Å; L15-F89 HydrophobicContact CD2-CE1 3.6Å; L15-F89 HydrophobicContact CD2-CG 4.17Å; L15-F89 HydrophobicContact CD2-CZ 4.41Å; L15-F89 HydrophobicContact CG-CD1 4.46Å; L15-F89 HydrophobicContact CG-CE1 4.26Å; M18-F89 HydrophobicContact CB-CE2 3.9Å; M18-F89 HydrophobicContact CB-CZ 3.74Å; M18-F89 HydrophobicContact CE-CE2 4.4Å; M18-F89 HydrophobicContact CG-CE2 4.45Å; M18-F89 HydrophobicContact CG-CZ 4Å; M18-F89 HydrophobicContact SD-CE2 3.91Å; M18-F89 HydrophobicContact SD-CZ 3.53Å; M18-F89 VanDerWaalsContact SD-CZ 3.53Å; E20-F89 HydrophobicContact CB-CD2 3.92Å; E20-F89 HydrophobicContact CB-CE1 4.5Å; E20-F89 HydrophobicContact CB-CE2 3.77Å; E20-F89 HydrophobicContact CB-CG 4.34Å; E20-F89 HydrophobicContact CB-CZ 4.08Å; E20-F89 HydrophobicContact CG-CB 4.22Å; E20-F89 HydrophobicContact CG-CD1 4.27Å; E20-F89 HydrophobicContact CG-CD2 3.69Å; E20-F89 HydrophobicContact CG-CE2 4.1Å; E20-F89 HydrophobicContact CG-CG 3.79Å; R85-F89 WeakPolarHBondContact O-CB 3.49Å; R85-F89 PolarHBondContact O-N 3.17Å; I86-F89 PolarHBondContact O-N 3.1Å; F89-A91 VanDerWaalsContact C-N 3.34Å; F89-A91 PolarHBondContact O-N 3.04Å; F89-Q92 PolarHBondContact O-N 3.43Å; F89-H93 AromaticContact CD2-CE1 3.63Å; F89-H93 AromaticContact CD2-ND1 3.59Å; F89-H93 AromaticContact CE2-CE1 3.56Å; F89-H93 AromaticContact CE2-ND1 3.59Å; F89-H93 PolarHBondContact O-N 3.36Å; F89-H93 VanDerWaalsContact O-N 3.16Å; F89-H93 PolarHBondContact O-ND1 3.45Å
90L95.8Very high93.3Very high50 Ų5085.6 Ų85.626%0.26245%0.453SS..Hα-helixtrans-64.4-37.9179.3-70.5175.4000112.3I11 I86 R87 A88 H93 A94I11-L90 HydrophobicContact CD1-CD1 4.09Å; I11-L90 HydrophobicContact CG1-CD1 4.2Å; I11-L90 HydrophobicContact CG1-CD2 4.14Å; I11-L90 HydrophobicContact CG2-CD1 4.1Å; I11-L90 HydrophobicContact CG2-CD2 4.17Å; I86-L90 HydrophobicContact CG2-CD1 4Å; I86-L90 HydrophobicContact CG2-CG 4.46Å; I86-L90 WeakPolarHBondContact O-CB 3.38Å; I86-L90 VanDerWaalsContact O-CG 3.28Å; I86-L90 WeakPolarHBondContact O-CG 3.31Å; I86-L90 PolarHBondContact O-N 3.36Å; R87-L90 PolarHBondContact O-N 2.56Å; A88-L90 PolarHBondContact O-N 2.87Å; L90-H93 CarbonylContact O-C 3.49Å; L90-H93 PolarHBondContact O-N 3.16Å; L90-A94 PolarHBondContact O-N 3.32Å
91A95.6Very high92.9Very high74 Ų7481.9 Ų81.961%0.61244%0.442SS*.Hα-helixtrans-66.6-41.3176.500000112.4R87 A88 F89 H93 A94R87-A91 WeakPolarHBondContact O-CB 3.4Å; R87-A91 PolarHBondContact O-N 2.71Å; A88-A91 PolarHBondContact O-N 2.78Å; F89-A91 VanDerWaalsContact C-N 3.34Å; F89-A91 PolarHBondContact O-N 3.04Å; A91-H93 PolarHBondContact O-N 2.8Å; A91-A94 PolarHBondContact O-N 2.92Å
92Q95Very high92.6Very high151 Ų15183.7 Ų83.771%0.70646%0.455SS*.Hα-helixtrans-66.5-26.4177.9-74.4173-2.400113.3A88 F89A88-Q92 WeakPolarHBondContact O-CB 3.12Å; A88-Q92 VanDerWaalsContact O-CG 3.31Å; A88-Q92 WeakPolarHBondContact O-CG 3.02Å; A88-Q92 PolarHBondContact O-N 3.42Å; F89-Q92 PolarHBondContact O-N 3.43Å
93H92.4Very high92.1Very high52 Ų5287.9 Ų87.924%0.24148%0.478CS..THydrogen-bonded Turntrans-112.720.5-178.4-56.385000111.9K14 M18 F89 L90 A91 T95K14-H93 PolarHBondContact NZ-O 3.36Å; M18-H93 WeakPolarHBondContact CE-CD2 3.21Å; M18-H93 WeakPolarHBondContact CE-NE2 3.5Å; M18-H93 VanDerWaalsContact SD-CD2 3.58Å; F89-H93 AromaticContact CD2-CE1 3.63Å; F89-H93 AromaticContact CD2-ND1 3.59Å; F89-H93 AromaticContact CE2-CE1 3.56Å; F89-H93 AromaticContact CE2-ND1 3.59Å; F89-H93 PolarHBondContact O-N 3.36Å; F89-H93 VanDerWaalsContact O-N 3.16Å; F89-H93 PolarHBondContact O-ND1 3.45Å; L90-H93 CarbonylContact O-C 3.49Å; L90-H93 PolarHBondContact O-N 3.16Å; A91-H93 PolarHBondContact O-N 2.8Å; H93-T95 PolarHBondContact O-N 2.97Å
94A78.3Confident91.6Very high82 Ų8288.9 Ų88.968%0.67849%0.485SS*.  trans-75.175172.500000109.6L90 A91L90-A94 PolarHBondContact O-N 3.32Å; A91-A94 PolarHBondContact O-N 2.92Å
95T58.2Low91Very high193 Ų19386.8 Ų86.8100%1.18448%0.481SS*.  trans-112.90161.938.90000108.5H93H93-T95 PolarHBondContact O-N 2.97Å

Retrieved 95 of 95 residues in 146.2 ms (Link to these results)