A0A087Y091_POEFO Loading...

Parvalbumin

In muscle, parvalbumin is thought to be involved in relaxation after contraction. It binds two calcium ions.

AlphaFold DB , UniProt , Accession A0A087Y091, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 108 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
1M57.6Low73.7Confident107 Ų10773.5 Ų73.553%0.52745%0.446SS..  0151.90-58.3-172.3-162.400107.9F3 A4 E9M1-F3 PolarHBondContact O-N 3.07Å; M1-A4 HydrophobicContact CB-CB 4.43Å; M1-A4 WeakPolarHBondContact O-CB 3.33Å; M1-A4 PolarHBondContact O-N 3.07Å; M1-E9 HydrophobicContact CE-CB 4.26Å; M1-E9 HydrophobicContact CE-CG 3.84Å; M1-E9 WeakPolarHBondContact CE-OE1 3.18Å; M1-E9 WeakPolarHBondContact CE-OE2 3.32Å; M1-E9 HydrophobicContact SD-CB 4.39Å; M1-E9 HydrophobicContact SD-CG 3.8Å
2A63.6Low74.6Confident52 Ų5267.8 Ų67.843%0.4341%0.412SS..THydrogen-bonded Turntrans-63.4-18.7-172.800000113.1V50 N70A2-V50 HydrophobicContact CB-CG1 3.25Å; A2-N70 WeakPolarHBondContact CB-O 3.47Å
3F68.9Low75.4Confident7 Ų772.1 Ų72.13%0.03142%0.421CS..THydrogen-bonded Turntrans-114.117178.3-54.2-81.8000114.2M1 G5 M6 L7 V47 V50 L51 N70 F71M1-F3 PolarHBondContact O-N 3.07Å; F3-G5 PolarHBondContact O-N 2.94Å; F3-G5 VanDerWaalsContact O-N 3.09Å; F3-M6 PolarHBondContact O-N 3.09Å; F3-L7 HydrophobicContact CB-CB 4.24Å; F3-L7 HydrophobicContact CB-CD1 3.66Å; F3-L7 HydrophobicContact CB-CG 3.91Å; F3-L7 HydrophobicContact CD1-CD1 3.91Å; F3-L7 HydrophobicContact CD2-CD1 4.33Å; F3-L7 HydrophobicContact CG-CD1 3.69Å; F3-L7 HydrophobicContact CG-CG 4.4Å; F3-L7 PolarHBondContact O-N 3.24Å; F3-V47 HydrophobicContact CD1-CG2 3.98Å; F3-V47 HydrophobicContact CE1-CB 3.91Å; F3-V47 HydrophobicContact CE1-CG1 3.69Å; F3-V47 HydrophobicContact CE1-CG2 3.77Å; F3-V47 HydrophobicContact CZ-CG1 4.23Å; F3-V50 HydrophobicContact CE1-CB 4.09Å; F3-V50 HydrophobicContact CE1-CG1 3.88Å; F3-V50 HydrophobicContact CE2-CG1 4.06Å; F3-V50 HydrophobicContact CZ-CB 4.19Å; F3-V50 HydrophobicContact CZ-CG1 3.63Å; F3-L51 HydrophobicContact CZ-CD2 4Å; F3-L51 HydrophobicContact CZ-CG 4.24Å; F3-N70 HydrophobicContact CE2-CB 4.25Å; F3-F71 HydrophobicContact CD1-CE1 4.16Å; F3-F71 HydrophobicContact CD2-CB 4.35Å; F3-F71 AromaticContact CD2-CD1 3.31Å; F3-F71 HydrophobicContact CD2-CD1 3.31Å; F3-F71 AromaticContact CD2-CE1 3.63Å; F3-F71 HydrophobicContact CD2-CE1 3.63Å; F3-F71 AromaticContact CD2-CG 3.91Å; F3-F71 HydrophobicContact CD2-CG 3.91Å; F3-F71 HydrophobicContact CD2-CZ 4.44Å; F3-F71 HydrophobicContact CE1-CD1 4.48Å; F3-F71 AromaticContact CE1-CE1 3.82Å; F3-F71 HydrophobicContact CE1-CE1 3.82Å; F3-F71 HydrophobicContact CE1-CZ 4.16Å; F3-F71 HydrophobicContact CE2-CB 4.3Å; F3-F71 AromaticContact CE2-CD1 3.21Å; F3-F71 HydrophobicContact CE2-CD1 3.21Å; F3-F71 AromaticContact CE2-CD2 3.95Å; F3-F71 HydrophobicContact CE2-CD2 3.95Å; F3-F71 AromaticContact CE2-CE1 3.25Å; F3-F71 HydrophobicContact CE2-CE1 3.25Å; F3-F71 AromaticContact CE2-CE2 3.95Å; F3-F71 HydrophobicContact CE2-CE2 3.95Å; F3-F71 AromaticContact CE2-CG 3.57Å; F3-F71 HydrophobicContact CE2-CG 3.57Å; F3-F71 AromaticContact CE2-CZ 3.62Å; F3-F71 HydrophobicContact CE2-CZ 3.62Å; F3-F71 HydrophobicContact CG-CD1 4.02Å; F3-F71 HydrophobicContact CG-CE1 4.07Å; F3-F71 AromaticContact CZ-CD1 3.86Å; F3-F71 HydrophobicContact CZ-CD1 3.86Å; F3-F71 AromaticContact CZ-CE1 3.35Å; F3-F71 HydrophobicContact CZ-CE1 3.35Å; F3-F71 HydrophobicContact CZ-CE2 4.05Å; F3-F71 HydrophobicContact CZ-CG 4.4Å; F3-F71 AromaticContact CZ-CZ 3.45Å; F3-F71 HydrophobicContact CZ-CZ 3.45Å; F3-F71 VanDerWaalsContact CZ-CZ 3.45Å
4A64.8Low76.3Confident65 Ų6569.7 Ų69.754%0.53741%0.414SS..BIsolated β-bridgetrans-58117.1-176.700000110.9M1M1-A4 HydrophobicContact CB-CB 4.43Å; M1-A4 WeakPolarHBondContact O-CB 3.33Å; M1-A4 PolarHBondContact O-N 3.07Å
5G69Low77Confident83 Ų8365.1 Ų65.186%0.85639%0.387SS*.THydrogen-bonded Turntrans95.4-8.9-177.500000115.5F3F3-G5 PolarHBondContact O-N 2.94Å; F3-G5 VanDerWaalsContact O-N 3.09Å
6M72.3Confident77.5Confident70 Ų7061.8 Ų61.835%0.34537%0.367SS..THydrogen-bonded Turntrans-104.2-33.8172.5-64.7-174.883.600112.7F3 D43 K46F3-M6 PolarHBondContact O-N 3.09Å; M6-D43 HydrophobicContact CE-CB 3.65Å; M6-D43 WeakPolarHBondContact CE-OD1 3.36Å; M6-K46 HydrophobicContact CE-CB 4.01Å; M6-K46 HydrophobicContact CE-CD 3.39Å; M6-K46 HydrophobicContact CE-CG 4.39Å; M6-K46 HydrophobicContact SD-CB 4.24Å; M6-K46 HydrophobicContact SD-CD 3.94Å
7L78.2Confident77.9Confident18 Ų1864.8 Ų64.89%0.09438%0.377CS..BIsolated β-bridgetrans-125.5149.1-179.7-51174.5000109.9F3 V12 V34 L36 L39 F71F3-L7 HydrophobicContact CB-CB 4.24Å; F3-L7 HydrophobicContact CB-CD1 3.66Å; F3-L7 HydrophobicContact CB-CG 3.91Å; F3-L7 HydrophobicContact CD1-CD1 3.91Å; F3-L7 HydrophobicContact CD2-CD1 4.33Å; F3-L7 HydrophobicContact CG-CD1 3.69Å; F3-L7 HydrophobicContact CG-CG 4.4Å; F3-L7 PolarHBondContact O-N 3.24Å; L7-V12 HydrophobicContact CB-CG2 4.08Å; L7-V12 HydrophobicContact CD1-CG2 4.35Å; L7-V34 HydrophobicContact CD1-CB 4.48Å; L7-V34 VanDerWaalsContact CD2-O 3.3Å; L7-V34 WeakPolarHBondContact CD2-O 3.41Å; L7-L36 HydrophobicContact CD1-CD2 4.1Å; L7-L36 HydrophobicContact CD1-CG 4.32Å; L7-L36 HydrophobicContact CD2-CD2 3.76Å; L7-L36 HydrophobicContact CD2-CG 4.22Å; L7-L39 HydrophobicContact CD2-CD1 4.32Å; L7-F71 HydrophobicContact CD1-CD1 3.82Å; L7-F71 HydrophobicContact CD1-CE1 3.71Å
8S83.8Confident78.2Confident62 Ų6264.7 Ų64.743%0.43439%0.385SS..  trans-72.2128.8173.9-38.90000109.8E10 D11 V12S8-E10 PolarHBondContact O-N 2.99Å; S8-D11 WeakPolarHBondContact CB-OD2 3.07Å; S8-D11 PolarHBondContact O-N 3.26Å; S8-D11 PolarHBondContact OG-OD2 2.81Å; S8-V12 WeakPolarHBondContact O-CG2 3.38Å; S8-V12 PolarHBondContact O-N 2.85Å
9E81Confident78.1Confident111 Ų11161.7 Ų61.752%0.51937%0.367SS..Hα-helixtrans-61-31.5176-60.2-172.2170.200112M1 K13M1-E9 HydrophobicContact CE-CB 4.26Å; M1-E9 HydrophobicContact CE-CG 3.84Å; M1-E9 WeakPolarHBondContact CE-OE1 3.18Å; M1-E9 WeakPolarHBondContact CE-OE2 3.32Å; M1-E9 HydrophobicContact SD-CB 4.39Å; M1-E9 HydrophobicContact SD-CG 3.8Å; E9-K13 VanDerWaalsContact O-CB 3.23Å; E9-K13 WeakPolarHBondContact O-CB 3.23Å; E9-K13 PolarHBondContact O-N 3.34Å
10E84.6Confident78Confident165 Ų16564.9 Ų64.977%0.77138%0.378SS*.Hα-helixtrans-65-46.9176.1-66.9178.9172.300111.8S8 K13 A14S8-E10 PolarHBondContact O-N 2.99Å; E10-K13 PolarHBondContact O-N 2.91Å; E10-A14 WeakPolarHBondContact O-CB 3.38Å; E10-A14 PolarHBondContact O-N 2.93Å
11D86.8Confident78.2Confident68 Ų6864.1 Ų64.136%0.36438%0.379SS..Hα-helixtrans-65.1-43.4178.7-65.9-33.6000111.2S8 K13 A14 A15S8-D11 WeakPolarHBondContact CB-OD2 3.07Å; S8-D11 PolarHBondContact O-N 3.26Å; S8-D11 PolarHBondContact OG-OD2 2.81Å; D11-K13 VanDerWaalsContact C-N 3.35Å; D11-K13 PolarHBondContact O-N 3.47Å; D11-A14 PolarHBondContact O-N 3.05Å; D11-A15 VanDerWaalsContact O-CB 3.32Å; D11-A15 WeakPolarHBondContact O-CB 3.32Å; D11-A15 PolarHBondContact O-N 2.92Å
12V84.4Confident78.9Confident6 Ų663.8 Ų63.84%0.03639%0.385CS..Hα-helixtrans-58.8-47173.51690000111.1L7 S8 A15 V16 V34 F71 C72L7-V12 HydrophobicContact CB-CG2 4.08Å; L7-V12 HydrophobicContact CD1-CG2 4.35Å; S8-V12 WeakPolarHBondContact O-CG2 3.38Å; S8-V12 PolarHBondContact O-N 2.85Å; V12-A15 PolarHBondContact O-N 2.87Å; V12-V16 VanDerWaalsContact O-CG2 3.28Å; V12-V16 WeakPolarHBondContact O-CG2 3.3Å; V12-V16 PolarHBondContact O-N 2.77Å; V12-V34 HydrophobicContact CB-CG1 4.4Å; V12-V34 HydrophobicContact CG2-CB 4.32Å; V12-V34 HydrophobicContact CG2-CG1 3.91Å; V12-F71 HydrophobicContact CG1-CB 3.68Å; V12-C72 HydrophobicContact CG1-CB 3.96Å
13K85.4Confident79.5Confident123 Ų12364.1 Ų64.154%0.53539%0.394SS..Hα-helixtrans-66-40.3179.9-170177.8-178.7-178.30111.7E9 E10 D11 V16 Q17E9-K13 VanDerWaalsContact O-CB 3.23Å; E9-K13 WeakPolarHBondContact O-CB 3.23Å; E9-K13 PolarHBondContact O-N 3.34Å; E10-K13 PolarHBondContact O-N 2.91Å; D11-K13 VanDerWaalsContact C-N 3.35Å; D11-K13 PolarHBondContact O-N 3.47Å; K13-V16 PolarHBondContact O-N 3.28Å; K13-Q17 WeakPolarHBondContact O-CB 3.36Å; K13-Q17 VanDerWaalsContact O-CG 3.32Å; K13-Q17 WeakPolarHBondContact O-CG 3.44Å; K13-Q17 PolarHBondContact O-N 3.47Å
14A87.8Confident79.9Confident39 Ų3967.3 Ų67.332%0.32241%0.414SS..Hα-helixtrans-63.2-43175.700000111.5E10 D11 Q17 A18E10-A14 WeakPolarHBondContact O-CB 3.38Å; E10-A14 PolarHBondContact O-N 2.93Å; D11-A14 PolarHBondContact O-N 3.05Å; A14-Q17 PolarHBondContact O-N 3.23Å; A14-A18 WeakPolarHBondContact O-CB 3.32Å; A14-A18 PolarHBondContact O-N 3.3Å
15A86.8Confident80.7Confident0 Ų065.2 Ų65.20%039%0.393CS..Hα-helixtrans-64.5-43.6177.100000112.4D11 V12 Q17 A18 C19 F30 Q33 V34D11-A15 VanDerWaalsContact O-CB 3.32Å; D11-A15 WeakPolarHBondContact O-CB 3.32Å; D11-A15 PolarHBondContact O-N 2.92Å; V12-A15 PolarHBondContact O-N 2.87Å; A15-Q17 VanDerWaalsContact C-N 3.32Å; A15-Q17 PolarHBondContact O-N 3.18Å; A15-A18 PolarHBondContact O-N 3.01Å; A15-C19 PolarHBondContact O-N 3.22Å; A15-C19 PolarHBondContact O-SG 2.85Å; A15-F30 HydrophobicContact CB-CD2 3.47Å; A15-F30 VanDerWaalsContact CB-CD2 3.47Å; A15-F30 HydrophobicContact CB-CE2 3.56Å; A15-F30 HydrophobicContact CB-CG 4.26Å; A15-F30 HydrophobicContact CB-CZ 4.43Å; A15-Q33 VanDerWaalsContact CA-OE1 3.25Å; A15-Q33 HydrophobicContact CB-CB 3.87Å; A15-V34 HydrophobicContact CB-CG1 3.7Å
16V84.3Confident81.4Confident13 Ų1364.4 Ų64.48%0.07937%0.369CS..Hα-helixtrans-62.8-39.9173.6171.80000111.4V12 K13 C19 Q20 F30 L68 C72 A75V12-V16 VanDerWaalsContact O-CG2 3.28Å; V12-V16 WeakPolarHBondContact O-CG2 3.3Å; V12-V16 PolarHBondContact O-N 2.77Å; K13-V16 PolarHBondContact O-N 3.28Å; V16-C19 CarbonylContact O-C 3.37Å; V16-C19 PolarHBondContact O-N 3.03Å; V16-Q20 PolarHBondContact O-N 2.86Å; V16-Q20 VanDerWaalsContact O-N 3.16Å; V16-F30 HydrophobicContact CG2-CE2 3.96Å; V16-F30 HydrophobicContact CG2-CZ 4.49Å; V16-L68 HydrophobicContact CG2-CD2 4.45Å; V16-C72 HydrophobicContact CG2-CB 3.87Å; V16-A75 HydrophobicContact CB-CB 4.44Å; V16-A75 HydrophobicContact CG1-CB 3.5Å; V16-A75 HydrophobicContact CG2-CB 3.99Å
17Q84.6Confident81.9Confident112 Ų11262.3 Ų62.352%0.52336%0.358SS..Hα-helixtrans-65.5-39.7176.3-79.6-173.9-23.400112.5K13 A14 A15 C19 Q20K13-Q17 WeakPolarHBondContact O-CB 3.36Å; K13-Q17 VanDerWaalsContact O-CG 3.32Å; K13-Q17 WeakPolarHBondContact O-CG 3.44Å; K13-Q17 PolarHBondContact O-N 3.47Å; A14-Q17 PolarHBondContact O-N 3.23Å; A15-Q17 VanDerWaalsContact C-N 3.32Å; A15-Q17 PolarHBondContact O-N 3.18Å; Q17-C19 PolarHBondContact O-N 3.41Å; Q17-Q20 WeakPolarHBondContact O-CB 3.2Å; Q17-Q20 PolarHBondContact O-N 2.88Å
18A83.2Confident82.1Confident63 Ų6367.6 Ų67.652%0.52138%0.38SS..Hα-helixtrans-60.9-30.7175.300000112.2A14 A15A14-A18 WeakPolarHBondContact O-CB 3.32Å; A14-A18 PolarHBondContact O-N 3.3Å; A15-A18 PolarHBondContact O-N 3.01Å
19C77.3Confident82.1Confident8 Ų869.9 Ų69.95%0.05439%0.387CS..THydrogen-bonded Turntrans-102.318179.6-55.20000114.1A15 V16 Q17 A21 F25 R76A15-C19 PolarHBondContact O-N 3.22Å; A15-C19 PolarHBondContact O-SG 2.85Å; V16-C19 CarbonylContact O-C 3.37Å; V16-C19 PolarHBondContact O-N 3.03Å; Q17-C19 PolarHBondContact O-N 3.41Å; C19-A21 PolarHBondContact O-N 3.09Å; C19-F25 HydrophobicContact CB-CB 4.32Å; C19-F25 HydrophobicContact CB-CD2 3.8Å; C19-R76 PolarHBondContact O-NE 2.86Å; C19-R76 VanDerWaalsContact O-NE 3.07Å; C19-R76 PolarHBondContact O-NH2 3.17Å
20Q75.7Confident82.3Confident125 Ų12564.6 Ų64.658%0.58436%0.362SS*.  trans-61.6-30.5179.3-95.5-178.72.700113.2V16 Q17 R76V16-Q20 PolarHBondContact O-N 2.86Å; V16-Q20 VanDerWaalsContact O-N 3.16Å; Q17-Q20 WeakPolarHBondContact O-CB 3.2Å; Q17-Q20 PolarHBondContact O-N 2.88Å; Q20-R76 PolarHBondContact O-NE 3.43Å
21A81.2Confident82.4Confident49 Ų4956.9 Ų56.941%0.40533%0.326SS..SBendtrans-74.2133.6177.900000111C19 G23 T24 R76C19-A21 PolarHBondContact O-N 3.09Å; A21-G23 PolarHBondContact O-N 3.27Å; A21-T24 HydrophobicContact CB-CG2 3.69Å; A21-T24 PolarHBondContact O-N 3.1Å; A21-T24 PolarHBondContact O-OG1 3.08Å; A21-R76 PolarHBondContact O-NH2 2.62Å
22P73.9Confident82.3Confident101 Ų10156.2 Ų56.266%0.65633%0.33SS*.THydrogen-bonded Turntrans-67130.1176.625.9-31.5000110.5T79P22-T79 HydrophobicContact CB-CG2 4.1Å
23G76.2Confident82.3Confident59 Ų5960.3 Ų60.361%0.60835%0.349SS*.THydrogen-bonded Turntrans88.23.4-17800000114.5A21 E82A21-G23 PolarHBondContact O-N 3.27Å; G23-E82 WeakPolarHBondContact CA-OE1 3.4Å; G23-E82 PolarHBondContact N-OE1 2.87Å
24T76.9Confident82.2Confident73 Ų7354.7 Ų54.745%0.44832%0.324SS..  trans-110.39177.175.60000113A21 D26A21-T24 HydrophobicContact CB-CG2 3.69Å; A21-T24 PolarHBondContact O-N 3.1Å; A21-T24 PolarHBondContact O-OG1 3.08Å; T24-D26 PolarHBondContact O-N 3.33Å
25F82.1Confident81.9Confident22 Ų2254.4 Ų54.410%0.09633%0.326CS..  trans-69.4113.3175.7178.5-107.9000110.3C19 F27 F30 F67 L68 L78 E82 L86C19-F25 HydrophobicContact CB-CB 4.32Å; C19-F25 HydrophobicContact CB-CD2 3.8Å; F25-F27 HydrophobicContact CE1-CB 3.97Å; F25-F27 HydrophobicContact CZ-CB 4.12Å; F25-F30 HydrophobicContact CE2-CB 4.05Å; F25-F30 HydrophobicContact CE2-CD2 4.04Å; F25-F30 AromaticContact CE2-CG 3.99Å; F25-F30 HydrophobicContact CE2-CG 3.99Å; F25-F67 HydrophobicContact CZ-CD1 4.16Å; F25-F67 HydrophobicContact CZ-CE1 4.06Å; F25-L68 HydrophobicContact CD2-CD1 4.26Å; F25-L68 HydrophobicContact CD2-CD2 4.12Å; F25-L68 HydrophobicContact CE2-CD1 4.4Å; F25-L68 HydrophobicContact CE2-CD2 3.53Å; F25-L68 HydrophobicContact CE2-CG 4.17Å; F25-L68 HydrophobicContact CZ-CD2 4.23Å; F25-L78 HydrophobicContact CB-CD2 3.97Å; F25-L78 HydrophobicContact CD1-CD1 3.97Å; F25-L78 HydrophobicContact CD1-CD2 3.44Å; F25-L78 VanDerWaalsContact CD1-CD2 3.44Å; F25-L78 HydrophobicContact CD1-CG 4.4Å; F25-L78 HydrophobicContact CD2-CD2 3.87Å; F25-L78 HydrophobicContact CE1-CD1 3.71Å; F25-L78 HydrophobicContact CE1-CD2 3.81Å; F25-L78 HydrophobicContact CE1-CG 4.45Å; F25-L78 HydrophobicContact CE2-CD2 4.24Å; F25-L78 HydrophobicContact CG-CD2 3.46Å; F25-L78 VanDerWaalsContact CG-CD2 3.46Å; F25-L78 HydrophobicContact CZ-CD1 4.32Å; F25-L78 HydrophobicContact CZ-CD2 4.2Å; F25-E82 HydrophobicContact CB-CB 4.4Å; F25-E82 HydrophobicContact CB-CG 4.02Å; F25-E82 VanDerWaalsContact CB-OE1 3.3Å; F25-E82 WeakPolarHBondContact CB-OE1 3.21Å; F25-E82 HydrophobicContact CD1-CB 4.48Å; F25-E82 PolarHBondContact N-OE1 3.34Å; F25-L86 HydrophobicContact CE1-CD2 4.05Å
26D83.8Confident81.6Confident66 Ų6654.4 Ų54.435%0.35333%0.326SS..  trans-113.4107.4173.8-171.1-45.7000108.2T24 K28 L29 F30T24-D26 PolarHBondContact O-N 3.33Å; D26-K28 VanDerWaalsContact C-N 3.27Å; D26-K28 PolarHBondContact O-N 3.4Å; D26-K28 WeakPolarHBondContact OD1-CB 3.21Å; D26-K28 PolarHBondContact OD1-N 2.88Å; D26-L29 HydrophobicContact CB-CB 4.13Å; D26-L29 HydrophobicContact CB-CD1 3.99Å; D26-L29 HydrophobicContact CB-CG 4.23Å; D26-L29 PolarHBondContact O-N 3.26Å; D26-L29 PolarHBondContact OD1-N 3.06Å; D26-L29 VanDerWaalsContact OD1-N 3.13Å; D26-F30 VanDerWaalsContact O-CB 3.3Å; D26-F30 WeakPolarHBondContact O-CB 3.45Å; D26-F30 PolarHBondContact O-N 2.89Å
27F81.2Confident81.3Confident25 Ų2556.6 Ų56.611%0.1134%0.339CS..Hα-helixtrans-63.9-32-177.461.4-91000112.3F25 F30 F31 L86 A89 L106F25-F27 HydrophobicContact CE1-CB 3.97Å; F25-F27 HydrophobicContact CZ-CB 4.12Å; F27-F30 PolarHBondContact O-N 3.4Å; F27-F31 HydrophobicContact CB-CD2 4.27Å; F27-F31 HydrophobicContact CB-CE2 4.01Å; F27-F31 HydrophobicContact CD2-CD2 4.18Å; F27-F31 HydrophobicContact CD2-CE2 4.08Å; F27-F31 VanDerWaalsContact O-CB 3.29Å; F27-F31 WeakPolarHBondContact O-CB 3.37Å; F27-F31 WeakPolarHBondContact O-CD2 3.44Å; F27-F31 WeakPolarHBondContact O-CG 3.36Å; F27-F31 PolarHBondContact O-N 3.3Å; F27-L86 HydrophobicContact CB-CD1 3.51Å; F27-L86 HydrophobicContact CD1-CB 4.47Å; F27-L86 HydrophobicContact CD1-CD1 3.53Å; F27-L86 HydrophobicContact CD2-CD1 3.94Å; F27-L86 HydrophobicContact CE1-CD1 4.23Å; F27-L86 HydrophobicContact CG-CD1 3.37Å; F27-A89 HydrophobicContact CE1-CB 3.57Å; F27-A89 HydrophobicContact CE2-CB 4.34Å; F27-A89 HydrophobicContact CZ-CB 3.37Å; F27-L106 HydrophobicContact CD2-CD2 3.89Å; F27-L106 HydrophobicContact CE2-CD2 3.28Å; F27-L106 HydrophobicContact CZ-CD2 3.93Å
28K82.9Confident80.9Confident130 Ų13054.6 Ų54.657%0.56535%0.349SS*.Hα-helixtrans-68.7-46.4179.7-59.8-170.2179.7-172.20110.4D26 F30 A32D26-K28 VanDerWaalsContact C-N 3.27Å; D26-K28 PolarHBondContact O-N 3.4Å; D26-K28 WeakPolarHBondContact OD1-CB 3.21Å; D26-K28 PolarHBondContact OD1-N 2.88Å; K28-F30 VanDerWaalsContact C-N 3.34Å; K28-A32 VanDerWaalsContact O-CB 3.31Å; K28-A32 WeakPolarHBondContact O-CB 3.39Å; K28-A32 PolarHBondContact O-N 3.22Å
29L83.8Confident80.7Confident109 Ų10953.4 Ų53.457%0.57133%0.334SS*.Hα-helixtrans-65.7-40.5175.6-68.3174.8000111.2D26 A32 Q33D26-L29 HydrophobicContact CB-CB 4.13Å; D26-L29 HydrophobicContact CB-CD1 3.99Å; D26-L29 HydrophobicContact CB-CG 4.23Å; D26-L29 PolarHBondContact O-N 3.26Å; D26-L29 PolarHBondContact OD1-N 3.06Å; D26-L29 VanDerWaalsContact OD1-N 3.13Å; L29-A32 PolarHBondContact O-N 3.31Å; L29-Q33 WeakPolarHBondContact O-CB 3.28Å; L29-Q33 WeakPolarHBondContact O-CG 3.19Å; L29-Q33 PolarHBondContact O-N 3.22Å
30F86.3Confident81.1Confident1 Ų155.9 Ų55.90%0.00435%0.351CS..Hα-helixtrans-58.2-54.4175.8-176.4-90.6000110.6A15 V16 F25 D26 F27 K28 A32 Q33 V34 F67 L68 F71A15-F30 HydrophobicContact CB-CD2 3.47Å; A15-F30 VanDerWaalsContact CB-CD2 3.47Å; A15-F30 HydrophobicContact CB-CE2 3.56Å; A15-F30 HydrophobicContact CB-CG 4.26Å; A15-F30 HydrophobicContact CB-CZ 4.43Å; V16-F30 HydrophobicContact CG2-CE2 3.96Å; V16-F30 HydrophobicContact CG2-CZ 4.49Å; F25-F30 HydrophobicContact CE2-CB 4.05Å; F25-F30 HydrophobicContact CE2-CD2 4.04Å; F25-F30 AromaticContact CE2-CG 3.99Å; F25-F30 HydrophobicContact CE2-CG 3.99Å; D26-F30 VanDerWaalsContact O-CB 3.3Å; D26-F30 WeakPolarHBondContact O-CB 3.45Å; D26-F30 PolarHBondContact O-N 2.89Å; F27-F30 PolarHBondContact O-N 3.4Å; K28-F30 VanDerWaalsContact C-N 3.34Å; F30-A32 VanDerWaalsContact C-N 3.29Å; F30-A32 PolarHBondContact O-N 2.87Å; F30-Q33 PolarHBondContact O-N 3.28Å; F30-Q33 VanDerWaalsContact O-N 3.14Å; F30-V34 HydrophobicContact CD1-CG1 4.31Å; F30-V34 HydrophobicContact CD1-CG2 4.22Å; F30-V34 HydrophobicContact CE1-CG1 3.91Å; F30-V34 HydrophobicContact CE1-CG2 4.11Å; F30-V34 HydrophobicContact CE2-CG1 4.28Å; F30-V34 HydrophobicContact CZ-CG1 3.89Å; F30-V34 VanDerWaalsContact O-CG2 3.27Å; F30-V34 WeakPolarHBondContact O-CG2 3.3Å; F30-V34 PolarHBondContact O-N 3.25Å; F30-F67 HydrophobicContact CD1-CE1 4Å; F30-F67 HydrophobicContact CD1-CZ 4.46Å; F30-F67 AromaticContact CE1-CE1 3.81Å; F30-F67 HydrophobicContact CE1-CE1 3.81Å; F30-F67 HydrophobicContact CE1-CZ 4.32Å; F30-L68 HydrophobicContact CD2-CD2 4.09Å; F30-L68 HydrophobicContact CE2-CD2 3.61Å; F30-L68 HydrophobicContact CZ-CD2 3.89Å; F30-F71 HydrophobicContact CE1-CD1 4.31Å; F30-F71 AromaticContact CE1-CD2 3.94Å; F30-F71 HydrophobicContact CE1-CD2 3.94Å; F30-F71 HydrophobicContact CE1-CE1 4.42Å; F30-F71 HydrophobicContact CE1-CE2 4.09Å; F30-F71 HydrophobicContact CE1-CG 4.09Å; F30-F71 HydrophobicContact CE1-CZ 4.33Å; F30-F71 HydrophobicContact CZ-CB 4.21Å; F30-F71 HydrophobicContact CZ-CD1 4.47Å; F30-F71 HydrophobicContact CZ-CD2 4.04Å; F30-F71 AromaticContact CZ-CG 3.98Å; F30-F71 HydrophobicContact CZ-CG 3.98Å
31F84.8Confident81.4Confident2 Ų256.5 Ų56.51%0.00935%0.354CS..Hα-helixtrans-58.1-40.3177.6-70.2-45.6000112.9F27 G35 L36 T37 F67 F103 L107F27-F31 HydrophobicContact CB-CD2 4.27Å; F27-F31 HydrophobicContact CB-CE2 4.01Å; F27-F31 HydrophobicContact CD2-CD2 4.18Å; F27-F31 HydrophobicContact CD2-CE2 4.08Å; F27-F31 VanDerWaalsContact O-CB 3.29Å; F27-F31 WeakPolarHBondContact O-CB 3.37Å; F27-F31 WeakPolarHBondContact O-CD2 3.44Å; F27-F31 WeakPolarHBondContact O-CG 3.36Å; F27-F31 PolarHBondContact O-N 3.3Å; F31-G35 CarbonylContact O-C 3.36Å; F31-G35 PolarHBondContact O-N 3.28Å; F31-L36 HydrophobicContact CB-CB 4.17Å; F31-L36 HydrophobicContact CD1-CB 3.92Å; F31-L36 HydrophobicContact CD1-CD1 3.35Å; F31-L36 HydrophobicContact CD1-CG 4.19Å; F31-L36 HydrophobicContact CE1-CD1 3.61Å; F31-L36 HydrophobicContact CG-CB 4.45Å; F31-L36 PolarHBondContact O-N 2.94Å; F31-T37 HydrophobicContact CB-CG2 3.99Å; F31-F67 HydrophobicContact CD1-CZ 4.42Å; F31-F67 HydrophobicContact CE1-CE1 4.42Å; F31-F67 HydrophobicContact CE1-CE2 4.03Å; F31-F67 AromaticContact CE1-CZ 3.4Å; F31-F67 HydrophobicContact CE1-CZ 3.4Å; F31-F67 AromaticContact CZ-CE2 3.96Å; F31-F67 HydrophobicContact CZ-CE2 3.96Å; F31-F67 AromaticContact CZ-CZ 3.54Å; F31-F67 HydrophobicContact CZ-CZ 3.54Å; F31-F103 HydrophobicContact CE1-CE2 4.04Å; F31-F103 HydrophobicContact CE1-CZ 4.01Å; F31-F103 AromaticContact CZ-CE2 3.63Å; F31-F103 HydrophobicContact CZ-CE2 3.63Å; F31-F103 HydrophobicContact CZ-CZ 4.06Å; F31-L107 HydrophobicContact CB-CD2 3.54Å; F31-L107 HydrophobicContact CD1-CD2 3.64Å; F31-L107 HydrophobicContact CD2-CD2 3.51Å; F31-L107 HydrophobicContact CE1-CD2 4.1Å; F31-L107 HydrophobicContact CE2-CD2 4.07Å; F31-L107 HydrophobicContact CG-CD2 3.3Å; F31-L107 HydrophobicContact CZ-CD2 4.34Å
32A85.2Confident81.5Confident54 Ų5456.9 Ų56.945%0.44636%0.357SS..Hα-helixtrans-66.8-42.2175.900000112.2K28 L29 F30 G35 T37K28-A32 VanDerWaalsContact O-CB 3.31Å; K28-A32 WeakPolarHBondContact O-CB 3.39Å; K28-A32 PolarHBondContact O-N 3.22Å; L29-A32 PolarHBondContact O-N 3.31Å; F30-A32 VanDerWaalsContact C-N 3.29Å; F30-A32 PolarHBondContact O-N 2.87Å; A32-G35 PolarHBondContact O-N 3.16Å; A32-T37 HydrophobicContact CB-CG2 4.24Å
33Q84.7Confident82.1Confident93 Ų9353.9 Ų53.944%0.43534%0.336SS..Hα-helixtrans-66.2-44.5177.7-82.2-153.4-68.800112.1A15 L29 F30 G35A15-Q33 VanDerWaalsContact CA-OE1 3.25Å; A15-Q33 HydrophobicContact CB-CB 3.87Å; L29-Q33 WeakPolarHBondContact O-CB 3.28Å; L29-Q33 WeakPolarHBondContact O-CG 3.19Å; L29-Q33 PolarHBondContact O-N 3.22Å; F30-Q33 PolarHBondContact O-N 3.28Å; F30-Q33 VanDerWaalsContact O-N 3.14Å; Q33-G35 PolarHBondContact O-N 3.45Å
34V83.3Confident82.5Confident4 Ų452.2 Ų52.22%0.02431%0.311CS..Hα-helixtrans-74.8-7.8178-57.70000112.9L7 V12 A15 F30 L36L7-V34 HydrophobicContact CD1-CB 4.48Å; L7-V34 VanDerWaalsContact CD2-O 3.3Å; L7-V34 WeakPolarHBondContact CD2-O 3.41Å; V12-V34 HydrophobicContact CB-CG1 4.4Å; V12-V34 HydrophobicContact CG2-CB 4.32Å; V12-V34 HydrophobicContact CG2-CG1 3.91Å; A15-V34 HydrophobicContact CB-CG1 3.7Å; F30-V34 HydrophobicContact CD1-CG1 4.31Å; F30-V34 HydrophobicContact CD1-CG2 4.22Å; F30-V34 HydrophobicContact CE1-CG1 3.91Å; F30-V34 HydrophobicContact CE1-CG2 4.11Å; F30-V34 HydrophobicContact CE2-CG1 4.28Å; F30-V34 HydrophobicContact CZ-CG1 3.89Å; F30-V34 VanDerWaalsContact O-CG2 3.27Å; F30-V34 WeakPolarHBondContact O-CG2 3.3Å; F30-V34 PolarHBondContact O-N 3.25Å; V34-L36 HydrophobicContact CG2-CB 4.07Å; V34-L36 HydrophobicContact CG2-CD1 3.71Å; V34-L36 HydrophobicContact CG2-CG 3.54Å
35G81.8Confident82.9Confident34 Ų3453.7 Ų53.735%0.35131%0.311SS..THydrogen-bonded Turntrans82.814.6177.200000114.8F31 A32 Q33 T37 L39F31-G35 CarbonylContact O-C 3.36Å; F31-G35 PolarHBondContact O-N 3.28Å; A32-G35 PolarHBondContact O-N 3.16Å; Q33-G35 PolarHBondContact O-N 3.45Å; G35-T37 VanDerWaalsContact C-N 3.34Å; G35-T37 PolarHBondContact O-N 3.21Å; G35-L39 WeakPolarHBondContact O-CG 3.49Å
36L80.1Confident83.1Confident0 Ų057.7 Ų57.70%033%0.328CS..  trans-69.9-27.2179.7-75.4-178.4000113.4L7 F31 V34 G38 L39 V47 F71 L107L7-L36 HydrophobicContact CD1-CD2 4.1Å; L7-L36 HydrophobicContact CD1-CG 4.32Å; L7-L36 HydrophobicContact CD2-CD2 3.76Å; L7-L36 HydrophobicContact CD2-CG 4.22Å; F31-L36 HydrophobicContact CB-CB 4.17Å; F31-L36 HydrophobicContact CD1-CB 3.92Å; F31-L36 HydrophobicContact CD1-CD1 3.35Å; F31-L36 HydrophobicContact CD1-CG 4.19Å; F31-L36 HydrophobicContact CE1-CD1 3.61Å; F31-L36 HydrophobicContact CG-CB 4.45Å; F31-L36 PolarHBondContact O-N 2.94Å; V34-L36 HydrophobicContact CG2-CB 4.07Å; V34-L36 HydrophobicContact CG2-CD1 3.71Å; V34-L36 HydrophobicContact CG2-CG 3.54Å; L36-G38 VanDerWaalsContact C-N 3.32Å; L36-G38 PolarHBondContact O-N 3.48Å; L36-L39 HydrophobicContact CD2-CD1 3.37Å; L36-L39 HydrophobicContact CD2-CG 4.43Å; L36-L39 PolarHBondContact O-N 3.36Å; L36-V47 HydrophobicContact CD1-CG1 3.89Å; L36-V47 HydrophobicContact CD2-CB 4.23Å; L36-V47 HydrophobicContact CD2-CG1 3.96Å; L36-V47 HydrophobicContact CD2-CG2 3.44Å; L36-V47 VanDerWaalsContact CD2-CG2 3.44Å; L36-F71 HydrophobicContact CD1-CE1 3.7Å; L36-F71 HydrophobicContact CD1-CZ 3.8Å; L36-L107 HydrophobicContact CB-CD2 3.89Å
37T78.5Confident83.1Confident58 Ų5854.6 Ų54.636%0.35631%0.312SS..THydrogen-bonded Turntrans-66.4-32-179.653.90000113F31 A32 G35 R44 L107F31-T37 HydrophobicContact CB-CG2 3.99Å; A32-T37 HydrophobicContact CB-CG2 4.24Å; G35-T37 VanDerWaalsContact C-N 3.34Å; G35-T37 PolarHBondContact O-N 3.21Å; T37-R44 PolarHBondContact O-NH2 3.14Å; T37-L107 HydrophobicContact CG2-CD2 4.49Å
38G75.4Confident83.4Confident71 Ų7153.6 Ų53.673%0.73231%0.307SS*.THydrogen-bonded Turntrans-88.21.8179.900000115.1L36L36-G38 VanDerWaalsContact C-N 3.32Å; L36-G38 PolarHBondContact O-N 3.48Å
39L80Confident83.5Confident38 Ų3850.9 Ų50.920%0.19930%0.302CS..  trans-79.6151-175.8-71.2-171.2000113.2L7 G35 L36 D43 R44 V47L7-L39 HydrophobicContact CD2-CD1 4.32Å; G35-L39 WeakPolarHBondContact O-CG 3.49Å; L36-L39 HydrophobicContact CD2-CD1 3.37Å; L36-L39 HydrophobicContact CD2-CG 4.43Å; L36-L39 PolarHBondContact O-N 3.36Å; L39-D43 HydrophobicContact CB-CB 3.99Å; L39-D43 HydrophobicContact CD1-CB 3.9Å; L39-D43 HydrophobicContact CD2-CB 4.36Å; L39-D43 HydrophobicContact CG-CB 4.32Å; L39-R44 HydrophobicContact CB-CG 4.3Å; L39-R44 PolarHBondContact O-NE 3.43Å; L39-R44 VanDerWaalsContact O-NE 3.15Å; L39-V47 HydrophobicContact CD1-CG2 4.41Å
40S84.9Confident83.6Confident59 Ų5948.1 Ų48.141%0.41329%0.29SS..  trans-63.9155.8172.775.30000111.3A42 D43 R44S40-A42 PolarHBondContact O-N 2.85Å; S40-A42 VanDerWaalsContact O-N 3.13Å; S40-D43 PolarHBondContact O-N 3.32Å; S40-D43 PolarHBondContact OG-N 2.9Å; S40-D43 PolarHBondContact OG-OD2 2.94Å; S40-R44 WeakPolarHBondContact O-CG 3.47Å; S40-R44 PolarHBondContact O-N 3.34Å
41E82.6Confident83.5Confident138 Ų13848.1 Ų48.165%0.64529%0.29SS*.Hα-helixtrans-51-39.4174-75-174.4171.800112D43 R44 K45E41-D43 VanDerWaalsContact C-N 3.29Å; E41-D43 PolarHBondContact O-N 3.36Å; E41-R44 PolarHBondContact O-N 3.13Å; E41-K45 WeakPolarHBondContact O-CB 3.46Å; E41-K45 VanDerWaalsContact O-CG 3.26Å; E41-K45 WeakPolarHBondContact O-CG 3.49Å; E41-K45 PolarHBondContact O-N 3.34Å
42A84.1Confident83.7Confident58 Ų5848.4 Ų48.448%0.47929%0.291SS..Hα-helixtrans-61.7-38178.900000112.2S40 K46S40-A42 PolarHBondContact O-N 2.85Å; S40-A42 VanDerWaalsContact O-N 3.13Å; A42-K46 WeakPolarHBondContact O-CG 3.27Å; A42-K46 PolarHBondContact O-N 3.27Å
43D85.2Confident83.5Confident38 Ų3851.1 Ų51.120%0.20330%0.295CS..Hα-helixtrans-79.8-35178.7-58.9-46.8000111.8M6 L39 S40 E41 K45 K46 V47M6-D43 HydrophobicContact CE-CB 3.65Å; M6-D43 WeakPolarHBondContact CE-OD1 3.36Å; L39-D43 HydrophobicContact CB-CB 3.99Å; L39-D43 HydrophobicContact CD1-CB 3.9Å; L39-D43 HydrophobicContact CD2-CB 4.36Å; L39-D43 HydrophobicContact CG-CB 4.32Å; S40-D43 PolarHBondContact O-N 3.32Å; S40-D43 PolarHBondContact OG-N 2.9Å; S40-D43 PolarHBondContact OG-OD2 2.94Å; E41-D43 VanDerWaalsContact C-N 3.29Å; E41-D43 PolarHBondContact O-N 3.36Å; D43-K45 VanDerWaalsContact C-N 3.29Å; D43-K45 PolarHBondContact O-N 2.8Å; D43-K46 PolarHBondContact O-N 3.06Å; D43-K46 IonicContact OD1-NZ 2.85Å; D43-K46 PolarHBondContact OD1-NZ 3.35Å; D43-V47 WeakPolarHBondContact O-CB 3.2Å; D43-V47 WeakPolarHBondContact O-CG2 3.49Å; D43-V47 PolarHBondContact O-N 3.49Å
44R84.8Confident83.6Confident24 Ų2451.1 Ų51.19%0.09130%0.297CS..Hα-helixtrans-57.9-43.2168.7-63.4-176.8-174.6-176.5-1.3111T37 L39 S40 E41 V47 F48 C104 L107 N108T37-R44 PolarHBondContact O-NH2 3.14Å; L39-R44 HydrophobicContact CB-CG 4.3Å; L39-R44 PolarHBondContact O-NE 3.43Å; L39-R44 VanDerWaalsContact O-NE 3.15Å; S40-R44 WeakPolarHBondContact O-CG 3.47Å; S40-R44 PolarHBondContact O-N 3.34Å; E41-R44 PolarHBondContact O-N 3.13Å; R44-V47 WeakPolarHBondContact O-CB 3.46Å; R44-V47 PolarHBondContact O-N 3.42Å; R44-F48 WeakPolarHBondContact O-CB 3.42Å; R44-F48 PolarHBondContact O-N 3.07Å; R44-C104 PolarHBondContact NH1-O 2.87Å; R44-L107 HydrophobicContact CB-CD1 4.22Å; R44-L107 HydrophobicContact CG-CD1 3.74Å; R44-L107 PolarHBondContact NH2-O 3.5Å; R44-N108 PolarHBondContact NH1-OD1 3.29Å; R44-N108 PolarHBondContact NH2-OD1 2.82Å
45K85.8Confident83.5Confident103 Ų10358.7 Ų58.745%0.44833%0.33SS..Hα-helixtrans-63.4-44.1174.5-70.5-169.1175.11750112.3E41 D43 V47 F48 T49 I100E41-K45 WeakPolarHBondContact O-CB 3.46Å; E41-K45 VanDerWaalsContact O-CG 3.26Å; E41-K45 WeakPolarHBondContact O-CG 3.49Å; E41-K45 PolarHBondContact O-N 3.34Å; D43-K45 VanDerWaalsContact C-N 3.29Å; D43-K45 PolarHBondContact O-N 2.8Å; K45-V47 VanDerWaalsContact C-N 3.26Å; K45-V47 PolarHBondContact O-N 3.15Å; K45-F48 WeakPolarHBondContact O-CB 3.5Å; K45-F48 PolarHBondContact O-N 3.31Å; K45-T49 PolarHBondContact O-N 2.8Å; K45-T49 PolarHBondContact O-OG1 2.84Å; K45-I100 HydrophobicContact CB-CD1 3.98Å; K45-I100 HydrophobicContact CD-CD1 4.04Å; K45-I100 HydrophobicContact CG-CD1 3.52Å; K45-I100 HydrophobicContact CG-CG1 4.08Å
46K85.3Confident83.8Confident107 Ų10759.4 Ų59.447%0.46533%0.33SS..Hα-helixtrans-59.2-42.8174.7-74.1168.7-170.1160.40111.1M6 A42 D43 T49 V50M6-K46 HydrophobicContact CE-CB 4.01Å; M6-K46 HydrophobicContact CE-CD 3.39Å; M6-K46 HydrophobicContact CE-CG 4.39Å; M6-K46 HydrophobicContact SD-CB 4.24Å; M6-K46 HydrophobicContact SD-CD 3.94Å; A42-K46 WeakPolarHBondContact O-CG 3.27Å; A42-K46 PolarHBondContact O-N 3.27Å; D43-K46 PolarHBondContact O-N 3.06Å; D43-K46 IonicContact OD1-NZ 2.85Å; D43-K46 PolarHBondContact OD1-NZ 3.35Å; K46-T49 PolarHBondContact O-N 3.13Å; K46-V50 VanDerWaalsContact O-CG2 3.32Å; K46-V50 WeakPolarHBondContact O-CG2 3.35Å; K46-V50 PolarHBondContact O-N 3.44Å; K46-V50 VanDerWaalsContact O-N 3.08Å
47V84.6Confident84.1Confident0 Ų060.9 Ų60.90%035%0.345CS..Hα-helixtrans-62.7-48.4179.1166.20000110.5F3 L36 L39 D43 R44 K45 T49 V50 L51 F71 F103F3-V47 HydrophobicContact CD1-CG2 3.98Å; F3-V47 HydrophobicContact CE1-CB 3.91Å; F3-V47 HydrophobicContact CE1-CG1 3.69Å; F3-V47 HydrophobicContact CE1-CG2 3.77Å; F3-V47 HydrophobicContact CZ-CG1 4.23Å; L36-V47 HydrophobicContact CD1-CG1 3.89Å; L36-V47 HydrophobicContact CD2-CB 4.23Å; L36-V47 HydrophobicContact CD2-CG1 3.96Å; L36-V47 HydrophobicContact CD2-CG2 3.44Å; L36-V47 VanDerWaalsContact CD2-CG2 3.44Å; L39-V47 HydrophobicContact CD1-CG2 4.41Å; D43-V47 WeakPolarHBondContact O-CB 3.2Å; D43-V47 WeakPolarHBondContact O-CG2 3.49Å; D43-V47 PolarHBondContact O-N 3.49Å; R44-V47 WeakPolarHBondContact O-CB 3.46Å; R44-V47 PolarHBondContact O-N 3.42Å; K45-V47 VanDerWaalsContact C-N 3.26Å; K45-V47 PolarHBondContact O-N 3.15Å; V47-T49 VanDerWaalsContact C-N 3.33Å; V47-T49 PolarHBondContact O-N 2.68Å; V47-V50 WeakPolarHBondContact O-CB 3.07Å; V47-V50 PolarHBondContact O-N 3.04Å; V47-V50 VanDerWaalsContact O-N 3.1Å; V47-L51 HydrophobicContact CG1-CD1 3.99Å; V47-L51 VanDerWaalsContact O-CG 3.3Å; V47-L51 WeakPolarHBondContact O-CG 3.26Å; V47-L51 PolarHBondContact O-N 2.76Å; V47-L51 VanDerWaalsContact O-N 3.09Å; V47-F71 HydrophobicContact CG1-CZ 4.43Å; V47-F103 HydrophobicContact CB-CE1 4.47Å; V47-F103 HydrophobicContact CG1-CE1 3.93Å; V47-F103 HydrophobicContact CG1-CZ 3.73Å
48F86.9Confident84.6Confident4 Ų461.4 Ų61.42%0.01834%0.343CS..Hα-helixtrans-54.6-47.9174-174-89.9000112.1R44 K45 V50 L51 D52 G57 I59 I98 G99 I100 F103R44-F48 WeakPolarHBondContact O-CB 3.42Å; R44-F48 PolarHBondContact O-N 3.07Å; K45-F48 WeakPolarHBondContact O-CB 3.5Å; K45-F48 PolarHBondContact O-N 3.31Å; F48-V50 PolarHBondContact O-N 3.39Å; F48-L51 WeakPolarHBondContact O-CB 3.03Å; F48-L51 PolarHBondContact O-N 2.83Å; F48-D52 HydrophobicContact CD1-CB 4.46Å; F48-D52 HydrophobicContact CE1-CB 4.27Å; F48-D52 WeakPolarHBondContact O-CB 3.44Å; F48-D52 PolarHBondContact O-N 2.99Å; F48-G57 WeakPolarHBondContact CE1-O 3.49Å; F48-G57 VanDerWaalsContact CZ-O 3.3Å; F48-G57 WeakPolarHBondContact CZ-O 3.4Å; F48-I59 HydrophobicContact CD2-CD1 3.73Å; F48-I59 HydrophobicContact CD2-CG1 4.13Å; F48-I59 HydrophobicContact CE2-CD1 3.7Å; F48-I59 HydrophobicContact CE2-CG1 3.68Å; F48-I59 HydrophobicContact CZ-CG1 4.08Å; F48-I98 VanDerWaalsContact CE2-O 3.32Å; F48-I98 WeakPolarHBondContact CE2-O 3.2Å; F48-I98 WeakPolarHBondContact CZ-O 3.43Å; F48-G99 VanDerWaalsContact CE2-C 3.5Å; F48-I100 HydrophobicContact CB-CD1 4.29Å; F48-I100 HydrophobicContact CB-CG1 4.11Å; F48-I100 HydrophobicContact CD1-CB 4.04Å; F48-I100 HydrophobicContact CD1-CD1 3.77Å; F48-I100 HydrophobicContact CD1-CG1 3.84Å; F48-I100 HydrophobicContact CD2-CB 4.3Å; F48-I100 HydrophobicContact CD2-CG1 4.21Å; F48-I100 HydrophobicContact CE1-CB 3.99Å; F48-I100 HydrophobicContact CE1-CD1 4.36Å; F48-I100 HydrophobicContact CE1-CG1 4.31Å; F48-I100 HydrophobicContact CE2-CB 4.23Å; F48-I100 HydrophobicContact CG-CB 4.18Å; F48-I100 HydrophobicContact CG-CD1 4.1Å; F48-I100 HydrophobicContact CG-CG1 3.78Å; F48-I100 HydrophobicContact CZ-CB 4.07Å; F48-F103 HydrophobicContact CB-CD1 4.18Å; F48-F103 HydrophobicContact CB-CE1 4.43Å; F48-F103 HydrophobicContact CD2-CB 3.67Å; F48-F103 HydrophobicContact CD2-CD1 4.03Å; F48-F103 HydrophobicContact CD2-CD2 4.33Å; F48-F103 AromaticContact CD2-CG 3.76Å; F48-F103 HydrophobicContact CD2-CG 3.76Å; F48-F103 HydrophobicContact CE2-CB 4.01Å; F48-F103 HydrophobicContact CE2-CG 4.48Å
49T86.1Confident85.2Confident74 Ų7458.2 Ų58.245%0.45431%0.309SS..Hα-helixtrans-65.9-20.6-179.4-36.20000113.2K45 K46 V47K45-T49 PolarHBondContact O-N 2.8Å; K45-T49 PolarHBondContact O-OG1 2.84Å; K46-T49 PolarHBondContact O-N 3.13Å; V47-T49 VanDerWaalsContact C-N 3.33Å; V47-T49 PolarHBondContact O-N 2.68Å
50V85.1Confident85.7Confident51 Ų5160.1 Ų60.131%0.30932%0.317SS..Hα-helixtrans-84-30.2175.1165.80000111.2A2 F3 K46 V47 F48A2-V50 HydrophobicContact CB-CG1 3.25Å; F3-V50 HydrophobicContact CE1-CB 4.09Å; F3-V50 HydrophobicContact CE1-CG1 3.88Å; F3-V50 HydrophobicContact CE2-CG1 4.06Å; F3-V50 HydrophobicContact CZ-CB 4.19Å; F3-V50 HydrophobicContact CZ-CG1 3.63Å; K46-V50 VanDerWaalsContact O-CG2 3.32Å; K46-V50 WeakPolarHBondContact O-CG2 3.35Å; K46-V50 PolarHBondContact O-N 3.44Å; K46-V50 VanDerWaalsContact O-N 3.08Å; V47-V50 WeakPolarHBondContact O-CB 3.07Å; V47-V50 PolarHBondContact O-N 3.04Å; V47-V50 VanDerWaalsContact O-N 3.1Å; F48-V50 PolarHBondContact O-N 3.39Å
51L84.1Confident85.8Confident1 Ų160.8 Ų60.81%0.00531%0.313CS..Hα-helixtrans-79-39.9177.6-65.1171000111.9F3 V47 F48 Q53 I59 F67 N70 F71 F103F3-L51 HydrophobicContact CZ-CD2 4Å; F3-L51 HydrophobicContact CZ-CG 4.24Å; V47-L51 HydrophobicContact CG1-CD1 3.99Å; V47-L51 VanDerWaalsContact O-CG 3.3Å; V47-L51 WeakPolarHBondContact O-CG 3.26Å; V47-L51 PolarHBondContact O-N 2.76Å; V47-L51 VanDerWaalsContact O-N 3.09Å; F48-L51 WeakPolarHBondContact O-CB 3.03Å; F48-L51 PolarHBondContact O-N 2.83Å; L51-Q53 PolarHBondContact O-N 3.19Å; L51-Q53 VanDerWaalsContact O-N 3.13Å; L51-I59 HydrophobicContact CB-CD1 3.78Å; L51-I59 HydrophobicContact CB-CG1 4.29Å; L51-I59 HydrophobicContact CD1-CD1 3.96Å; L51-F67 HydrophobicContact CD1-CD2 3.85Å; L51-F67 HydrophobicContact CD1-CE2 3.45Å; L51-F67 VanDerWaalsContact CD1-CE2 3.45Å; L51-F67 HydrophobicContact CD2-CD2 3.63Å; L51-F67 HydrophobicContact CD2-CE2 3.86Å; L51-F67 HydrophobicContact CD2-CG 4.43Å; L51-F67 HydrophobicContact CG-CD2 4.31Å; L51-F67 HydrophobicContact CG-CE2 4.28Å; L51-N70 HydrophobicContact CD2-CB 3.83Å; L51-F71 HydrophobicContact CD1-CZ 4.45Å; L51-F71 HydrophobicContact CD2-CE2 3.68Å; L51-F71 HydrophobicContact CD2-CZ 4.08Å; L51-F103 HydrophobicContact CD1-CE2 3.85Å; L51-F103 HydrophobicContact CD1-CZ 3.86Å
52D88.5Confident85.9Confident8 Ų860.2 Ų60.24%0.04331%0.311CS..  trans-70.891.4170.5176.48.3000109.1F48 K55 S56 G57F48-D52 HydrophobicContact CD1-CB 4.46Å; F48-D52 HydrophobicContact CE1-CB 4.27Å; F48-D52 WeakPolarHBondContact O-CB 3.44Å; F48-D52 PolarHBondContact O-N 2.99Å; D52-K55 VanDerWaalsContact CG-CA 3.48Å; D52-K55 WeakPolarHBondContact OD1-CA 3.46Å; D52-K55 PolarHBondContact OD1-N 3.39Å; D52-K55 WeakPolarHBondContact OD2-CA 3.32Å; D52-S56 PolarHBondContact OD1-N 3.34Å; D52-G57 VanDerWaalsContact OD2-CA 3.26Å; D52-G57 WeakPolarHBondContact OD2-CA 3.26Å; D52-G57 PolarHBondContact OD2-N 3.27Å
53Q81.9Confident86.1Confident111 Ų11158.3 Ų58.352%0.51929%0.292SS..SBendtrans-77-35.3-174.7-65.6-168.7-1.900111.3L51 K55 E63 N70L51-Q53 PolarHBondContact O-N 3.19Å; L51-Q53 VanDerWaalsContact O-N 3.13Å; Q53-K55 VanDerWaalsContact C-N 3.32Å; Q53-E63 PolarHBondContact N-OE1 3.33Å; Q53-N70 PolarHBondContact NE2-OD1 3.14Å
54D85.6Confident86.1Confident92 Ų9256.6 Ų56.649%0.49228%0.283SS..SBendtrans-84.1-10.4-179.581-13.5000113.3S56 E63D54-S56 PolarHBondContact O-N 2.86Å; D54-S56 WeakPolarHBondContact OD1-CB 3.45Å; D54-S56 PolarHBondContact OD1-N 2.85Å; D54-S56 PolarHBondContact OD1-OG 2.94Å; D54-E63 PolarHBondContact N-OE1 3.13Å
55K83.1Confident86.2Confident163 Ų16359.3 Ų59.371%0.70930%0.295SS*.  trans60.832-177.7-56-177.4-178.7-178.40112.1D52 Q53 G57D52-K55 VanDerWaalsContact CG-CA 3.48Å; D52-K55 WeakPolarHBondContact OD1-CA 3.46Å; D52-K55 PolarHBondContact OD1-N 3.39Å; D52-K55 WeakPolarHBondContact OD2-CA 3.32Å; Q53-K55 VanDerWaalsContact C-N 3.32Å; K55-G57 PolarHBondContact O-N 3.02Å
56S86.3Confident86.2Confident49 Ų4956.8 Ų56.834%0.34329%0.286SS..SBendtrans-67.4-20.5174.2630000112D52 D54 F58D52-S56 PolarHBondContact OD1-N 3.34Å; D54-S56 PolarHBondContact O-N 2.86Å; D54-S56 WeakPolarHBondContact OD1-CB 3.45Å; D54-S56 PolarHBondContact OD1-N 2.85Å; D54-S56 PolarHBondContact OD1-OG 2.94Å; S56-F58 WeakPolarHBondContact O-CD2 3.49Å; S56-F58 PolarHBondContact OG-N 3.28Å; S56-F58 PolarHBondContact OG-O 3.07Å
57G86.6Confident86.2Confident32 Ų3251.8 Ų51.833%0.3327%0.265SS..SBendtrans88.58.3-171.400000113.3F48 D52 K55F48-G57 WeakPolarHBondContact CE1-O 3.49Å; F48-G57 VanDerWaalsContact CZ-O 3.3Å; F48-G57 WeakPolarHBondContact CZ-O 3.4Å; D52-G57 VanDerWaalsContact OD2-CA 3.26Å; D52-G57 WeakPolarHBondContact OD2-CA 3.26Å; D52-G57 PolarHBondContact OD2-N 3.27Å; K55-G57 PolarHBondContact O-N 3.02Å
58F89.3Confident86.1Confident69 Ų6951.9 Ų51.930%0.30327%0.265SS..EExtended strand (participates in β ladder)trans-140.7149.4-178.7-58.7-88000109.9S56 K97 I98S56-F58 WeakPolarHBondContact O-CD2 3.49Å; S56-F58 PolarHBondContact OG-N 3.28Å; S56-F58 PolarHBondContact OG-O 3.07Å; F58-K97 HydrophobicContact CB-CB 3.97Å; F58-K97 HydrophobicContact CB-CD 3.59Å; F58-K97 HydrophobicContact CB-CG 3.94Å; F58-K97 HydrophobicContact CD1-CD 3.76Å; F58-K97 HydrophobicContact CD1-CG 3.93Å; F58-K97 HydrophobicContact CD2-CD 4.14Å; F58-K97 HydrophobicContact CE1-CD 4.49Å; F58-K97 HydrophobicContact CG-CD 3.56Å; F58-K97 HydrophobicContact CG-CG 4.1Å; F58-I98 CarbonylContact C-O 3.6Å; F58-I98 WeakPolarHBondContact CA-O 3.45Å
59I89.1Confident86.1Confident3 Ų355 Ų552%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-97.6113.4172.8-57171.2000108.6F48 L51 E63 L64 K97 I98 F103F48-I59 HydrophobicContact CD2-CD1 3.73Å; F48-I59 HydrophobicContact CD2-CG1 4.13Å; F48-I59 HydrophobicContact CE2-CD1 3.7Å; F48-I59 HydrophobicContact CE2-CG1 3.68Å; F48-I59 HydrophobicContact CZ-CG1 4.08Å; L51-I59 HydrophobicContact CB-CD1 3.78Å; L51-I59 HydrophobicContact CB-CG1 4.29Å; L51-I59 HydrophobicContact CD1-CD1 3.96Å; I59-E63 WeakPolarHBondContact CA-OE2 3.32Å; I59-E63 HydrophobicContact CG2-CB 4.05Å; I59-L64 HydrophobicContact CG2-CB 4.17Å; I59-L64 HydrophobicContact CG2-CD1 3.74Å; I59-K97 WeakPolarHBondContact O-CA 3.43Å; I59-I98 HydrophobicContact CB-CB 4.34Å; I59-I98 PolarHBondContact N-O 2.89Å; I59-I98 PolarHBondContact O-N 2.84Å; I59-F103 HydrophobicContact CD1-CD2 4.2Å; I59-F103 HydrophobicContact CD1-CE2 4.47Å
60E89Confident86Confident78 Ų7852.5 Ų52.536%0.36426%0.263SS..  trans-85166.4-179.4-60.4-171.9177.700112.4E62 E63 L64 K97E60-E62 VanDerWaalsContact C-N 3.25Å; E60-E62 PolarHBondContact O-N 3.43Å; E60-E63 PolarHBondContact N-OE2 2.94Å; E60-E63 VanDerWaalsContact N-OE2 3.07Å; E60-E63 PolarHBondContact O-N 3.4Å; E60-E63 VanDerWaalsContact O-N 3.13Å; E60-L64 VanDerWaalsContact O-CB 3.27Å; E60-L64 WeakPolarHBondContact O-CB 3.4Å; E60-L64 PolarHBondContact O-N 3.29Å; E60-K97 HydrophobicContact CG-CB 4.48Å
61E86.8Confident85.8Confident73 Ų7350.1 Ų50.134%0.34125%0.249SC..Hα-helixtrans-56.9-39.3-177.8-169.2177.1169.900112L64 K65 T83 M87E61-L64 PolarHBondContact O-N 3.35Å; E61-K65 WeakPolarHBondContact O-CB 3.12Å; E61-K65 PolarHBondContact O-N 2.99Å; E61-T83 HydrophobicContact CG-CG2 3.5Å; E61-T83 WeakPolarHBondContact O-CG2 3.48Å; E61-M87 HydrophobicContact CB-CE 4.22Å
62E85.8Confident85.7Confident127 Ų12750.9 Ų50.959%0.59325%0.254SS*.Hα-helixtrans-64-42.3177.8-70.573.2-164.500112.3E60 K65 L66E60-E62 VanDerWaalsContact C-N 3.25Å; E60-E62 PolarHBondContact O-N 3.43Å; E62-K65 WeakPolarHBondContact O-CB 3.36Å; E62-K65 PolarHBondContact O-N 3.36Å; E62-L66 PolarHBondContact O-N 2.87Å
63E88.1Confident85.3Confident18 Ų1855 Ų558%0.08428%0.282CS..Hα-helixtrans-73.2-39.4178.2-61.4-177124.200111.1Q53 D54 I59 E60 K65 L66 F67Q53-E63 PolarHBondContact N-OE1 3.33Å; D54-E63 PolarHBondContact N-OE1 3.13Å; I59-E63 WeakPolarHBondContact CA-OE2 3.32Å; I59-E63 HydrophobicContact CG2-CB 4.05Å; E60-E63 PolarHBondContact N-OE2 2.94Å; E60-E63 VanDerWaalsContact N-OE2 3.07Å; E60-E63 PolarHBondContact O-N 3.4Å; E60-E63 VanDerWaalsContact O-N 3.13Å; E63-K65 PolarHBondContact O-N 3.37Å; E63-L66 CarbonylContact O-C 3.6Å; E63-L66 WeakPolarHBondContact O-CA 3.44Å; E63-L66 PolarHBondContact O-N 3.06Å; E63-F67 PolarHBondContact O-N 3.13Å
64L85.6Confident85.3Confident2 Ų254.1 Ų54.11%0.0129%0.293CS..Hα-helixtrans-61.3-35175.2-154.8100.3000110.8I59 E60 E61 L66 F67 L78 T83 L86 M87 I98I59-L64 HydrophobicContact CG2-CB 4.17Å; I59-L64 HydrophobicContact CG2-CD1 3.74Å; E60-L64 VanDerWaalsContact O-CB 3.27Å; E60-L64 WeakPolarHBondContact O-CB 3.4Å; E60-L64 PolarHBondContact O-N 3.29Å; E61-L64 PolarHBondContact O-N 3.35Å; L64-L66 VanDerWaalsContact C-N 3.27Å; L64-L66 PolarHBondContact O-N 2.99Å; L64-F67 WeakPolarHBondContact O-CB 3.3Å; L64-F67 PolarHBondContact O-N 3.45Å; L64-F67 VanDerWaalsContact O-N 3.14Å; L64-L78 WeakPolarHBondContact O-CD1 3.29Å; L64-T83 HydrophobicContact CB-CG2 3.93Å; L64-T83 HydrophobicContact CD2-CG2 3.46Å; L64-T83 VanDerWaalsContact CD2-CG2 3.46Å; L64-T83 WeakPolarHBondContact CD2-O 2.91Å; L64-T83 HydrophobicContact CG-CG2 4.25Å; L64-L86 HydrophobicContact CD1-CD2 3.67Å; L64-L86 HydrophobicContact CD1-CG 4.01Å; L64-L86 HydrophobicContact CD2-CB 3.78Å; L64-L86 HydrophobicContact CD2-CD2 3.55Å; L64-L86 HydrophobicContact CD2-CG 3.66Å; L64-L86 HydrophobicContact CG-CD2 3.54Å; L64-L86 HydrophobicContact CG-CG 4.1Å; L64-M87 HydrophobicContact CD2-CB 4.34Å; L64-M87 HydrophobicContact CD2-CE 4.45Å; L64-I98 HydrophobicContact CD1-CD1 3.54Å; L64-I98 HydrophobicContact CD1-CG1 4.4Å
65K86.3Confident85.1Confident80 Ų8050.1 Ų50.135%0.34827%0.273SS..Hα-helixtrans-61.8-36.6173.9-163.8-169.1-177.3-144.40112.4E61 E62 E63 F67 E77 L78E61-K65 WeakPolarHBondContact O-CB 3.12Å; E61-K65 PolarHBondContact O-N 2.99Å; E62-K65 WeakPolarHBondContact O-CB 3.36Å; E62-K65 PolarHBondContact O-N 3.36Å; E63-K65 PolarHBondContact O-N 3.37Å; K65-F67 VanDerWaalsContact C-N 3.34Å; K65-E77 WeakPolarHBondContact CE-OE2 2.97Å; K65-E77 HydrophobicContact CG-CB 4.33Å; K65-E77 IonicContact NZ-OE2 3.36Å; K65-E77 PolarHBondContact NZ-OE2 2.77Å; K65-L78 WeakPolarHBondContact CG-O 3.38Å; K65-L78 PolarHBondContact O-N 2.98Å
66L86.1Confident85.2Confident50 Ų5045.3 Ų45.326%0.26225%0.25SS..THydrogen-bonded Turntrans-89.81.3177.7-56.2-180000112.9E62 E63 L64 L68 Q69 N70 E77E62-L66 PolarHBondContact O-N 2.87Å; E63-L66 CarbonylContact O-C 3.6Å; E63-L66 WeakPolarHBondContact O-CA 3.44Å; E63-L66 PolarHBondContact O-N 3.06Å; L64-L66 VanDerWaalsContact C-N 3.27Å; L64-L66 PolarHBondContact O-N 2.99Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 3.5Å; L66-Q69 WeakPolarHBondContact O-CA 3.4Å; L66-Q69 WeakPolarHBondContact O-CB 3.49Å; L66-Q69 PolarHBondContact O-N 3.25Å; L66-N70 PolarHBondContact O-N 2.87Å; L66-E77 HydrophobicContact CD2-CG 4.01Å
67F84.7Confident85.2Confident3 Ų346.8 Ų46.81%0.01325%0.252CS..Hα-helixtrans-47.9-50.5-176.9174.4-90.2000112.5F25 F30 F31 L51 E63 L64 K65 Q69 N70 F71F25-F67 HydrophobicContact CZ-CD1 4.16Å; F25-F67 HydrophobicContact CZ-CE1 4.06Å; F30-F67 HydrophobicContact CD1-CE1 4Å; F30-F67 HydrophobicContact CD1-CZ 4.46Å; F30-F67 AromaticContact CE1-CE1 3.81Å; F30-F67 HydrophobicContact CE1-CE1 3.81Å; F30-F67 HydrophobicContact CE1-CZ 4.32Å; F31-F67 HydrophobicContact CD1-CZ 4.42Å; F31-F67 HydrophobicContact CE1-CE1 4.42Å; F31-F67 HydrophobicContact CE1-CE2 4.03Å; F31-F67 AromaticContact CE1-CZ 3.4Å; F31-F67 HydrophobicContact CE1-CZ 3.4Å; F31-F67 AromaticContact CZ-CE2 3.96Å; F31-F67 HydrophobicContact CZ-CE2 3.96Å; F31-F67 AromaticContact CZ-CZ 3.54Å; F31-F67 HydrophobicContact CZ-CZ 3.54Å; L51-F67 HydrophobicContact CD1-CD2 3.85Å; L51-F67 HydrophobicContact CD1-CE2 3.45Å; L51-F67 VanDerWaalsContact CD1-CE2 3.45Å; L51-F67 HydrophobicContact CD2-CD2 3.63Å; L51-F67 HydrophobicContact CD2-CE2 3.86Å; L51-F67 HydrophobicContact CD2-CG 4.43Å; L51-F67 HydrophobicContact CG-CD2 4.31Å; L51-F67 HydrophobicContact CG-CE2 4.28Å; E63-F67 PolarHBondContact O-N 3.13Å; L64-F67 WeakPolarHBondContact O-CB 3.3Å; L64-F67 PolarHBondContact O-N 3.45Å; L64-F67 VanDerWaalsContact O-N 3.14Å; K65-F67 VanDerWaalsContact C-N 3.34Å; F67-Q69 VanDerWaalsContact C-N 3.27Å; F67-Q69 PolarHBondContact O-N 3.22Å; F67-N70 WeakPolarHBondContact O-CB 3.39Å; F67-N70 PolarHBondContact O-N 3.08Å; F67-F71 HydrophobicContact CD1-CD2 4.29Å; F67-F71 AromaticContact CD1-CE2 3.97Å; F67-F71 HydrophobicContact CD1-CE2 3.97Å; F67-F71 HydrophobicContact CD2-CE2 4.07Å; F67-F71 HydrophobicContact CE1-CD2 4Å; F67-F71 AromaticContact CE1-CE2 3.47Å; F67-F71 HydrophobicContact CE1-CE2 3.47Å; F67-F71 VanDerWaalsContact CE1-CE2 3.47Å; F67-F71 HydrophobicContact CE1-CZ 4.32Å; F67-F71 AromaticContact CE2-CE2 3.6Å; F67-F71 HydrophobicContact CE2-CE2 3.6Å; F67-F71 HydrophobicContact CE2-CZ 4.11Å; F67-F71 HydrophobicContact CG-CE2 4.22Å; F67-F71 HydrophobicContact CZ-CD2 4.23Å; F67-F71 AromaticContact CZ-CE2 3.25Å; F67-F71 HydrophobicContact CZ-CE2 3.25Å; F67-F71 AromaticContact CZ-CZ 3.76Å; F67-F71 HydrophobicContact CZ-CZ 3.76Å; F67-F71 WeakPolarHBondContact O-CD2 3.31Å
68L83.8Confident85.2Confident2 Ų245.4 Ų45.41%0.0124%0.236CC..Hα-helixtrans-61.9-33.5179.5-73.6-179.2000113.1V16 F25 F30 L66 N70 F71 C72 A75 R76 L78V16-L68 HydrophobicContact CG2-CD2 4.45Å; F25-L68 HydrophobicContact CD2-CD1 4.26Å; F25-L68 HydrophobicContact CD2-CD2 4.12Å; F25-L68 HydrophobicContact CE2-CD1 4.4Å; F25-L68 HydrophobicContact CE2-CD2 3.53Å; F25-L68 HydrophobicContact CE2-CG 4.17Å; F25-L68 HydrophobicContact CZ-CD2 4.23Å; F30-L68 HydrophobicContact CD2-CD2 4.09Å; F30-L68 HydrophobicContact CE2-CD2 3.61Å; F30-L68 HydrophobicContact CZ-CD2 3.89Å; L66-L68 VanDerWaalsContact C-N 3.31Å; L66-L68 PolarHBondContact O-N 3.5Å; L68-N70 VanDerWaalsContact C-N 3.32Å; L68-F71 PolarHBondContact O-N 2.93Å; L68-C72 PolarHBondContact O-N 3.46Å; L68-A75 HydrophobicContact CB-CB 3.76Å; L68-R76 WeakPolarHBondContact CB-O 3.39Å; L68-R76 HydrophobicContact CD1-CG 4.43Å; L68-R76 WeakPolarHBondContact CD1-O 3.34Å; L68-L78 HydrophobicContact CD1-CD2 3.48Å; L68-L78 VanDerWaalsContact CD1-CD2 3.48Å; L68-L78 HydrophobicContact CD1-CG 4.25Å; L68-L78 HydrophobicContact CG-CD2 3.89Å; L68-L78 HydrophobicContact CG-CG 4.3Å
69Q85.6Confident85.1Confident69 Ų6944.5 Ų44.532%0.32224%0.237SC..Hα-helixtrans-71-28.6179.7-68.7-175.1-18.100112.5L66 F67 F71 C72L66-Q69 WeakPolarHBondContact O-CA 3.4Å; L66-Q69 WeakPolarHBondContact O-CB 3.49Å; L66-Q69 PolarHBondContact O-N 3.25Å; F67-Q69 VanDerWaalsContact C-N 3.27Å; F67-Q69 PolarHBondContact O-N 3.22Å; Q69-F71 VanDerWaalsContact C-N 3.26Å; Q69-F71 PolarHBondContact O-N 3.02Å; Q69-C72 WeakPolarHBondContact CA-O 3.45Å; Q69-C72 CarbonylContact O-C 3.58Å
70N83.7Confident85Confident21 Ų2148.5 Ų48.511%0.11226%0.261CS..Hα-helixtrans-62.4-36.1173-67.2-41000111.3A2 F3 L51 Q53 L66 F67 L68A2-N70 WeakPolarHBondContact CB-O 3.47Å; F3-N70 HydrophobicContact CE2-CB 4.25Å; L51-N70 HydrophobicContact CD2-CB 3.83Å; Q53-N70 PolarHBondContact NE2-OD1 3.14Å; L66-N70 PolarHBondContact O-N 2.87Å; F67-N70 WeakPolarHBondContact O-CB 3.39Å; F67-N70 PolarHBondContact O-N 3.08Å; L68-N70 VanDerWaalsContact C-N 3.32Å
71F82.4Confident84.9Confident2 Ų248.2 Ų48.21%0.00927%0.272CS..Hα-helixtrans-79.8-50.3175.8-64.1-87.9000112.1F3 L7 V12 F30 L36 V47 L51 F67 L68 Q69F3-F71 HydrophobicContact CD1-CE1 4.16Å; F3-F71 HydrophobicContact CD2-CB 4.35Å; F3-F71 AromaticContact CD2-CD1 3.31Å; F3-F71 HydrophobicContact CD2-CD1 3.31Å; F3-F71 AromaticContact CD2-CE1 3.63Å; F3-F71 HydrophobicContact CD2-CE1 3.63Å; F3-F71 AromaticContact CD2-CG 3.91Å; F3-F71 HydrophobicContact CD2-CG 3.91Å; F3-F71 HydrophobicContact CD2-CZ 4.44Å; F3-F71 HydrophobicContact CE1-CD1 4.48Å; F3-F71 AromaticContact CE1-CE1 3.82Å; F3-F71 HydrophobicContact CE1-CE1 3.82Å; F3-F71 HydrophobicContact CE1-CZ 4.16Å; F3-F71 HydrophobicContact CE2-CB 4.3Å; F3-F71 AromaticContact CE2-CD1 3.21Å; F3-F71 HydrophobicContact CE2-CD1 3.21Å; F3-F71 AromaticContact CE2-CD2 3.95Å; F3-F71 HydrophobicContact CE2-CD2 3.95Å; F3-F71 AromaticContact CE2-CE1 3.25Å; F3-F71 HydrophobicContact CE2-CE1 3.25Å; F3-F71 AromaticContact CE2-CE2 3.95Å; F3-F71 HydrophobicContact CE2-CE2 3.95Å; F3-F71 AromaticContact CE2-CG 3.57Å; F3-F71 HydrophobicContact CE2-CG 3.57Å; F3-F71 AromaticContact CE2-CZ 3.62Å; F3-F71 HydrophobicContact CE2-CZ 3.62Å; F3-F71 HydrophobicContact CG-CD1 4.02Å; F3-F71 HydrophobicContact CG-CE1 4.07Å; F3-F71 AromaticContact CZ-CD1 3.86Å; F3-F71 HydrophobicContact CZ-CD1 3.86Å; F3-F71 AromaticContact CZ-CE1 3.35Å; F3-F71 HydrophobicContact CZ-CE1 3.35Å; F3-F71 HydrophobicContact CZ-CE2 4.05Å; F3-F71 HydrophobicContact CZ-CG 4.4Å; F3-F71 AromaticContact CZ-CZ 3.45Å; F3-F71 HydrophobicContact CZ-CZ 3.45Å; F3-F71 VanDerWaalsContact CZ-CZ 3.45Å; L7-F71 HydrophobicContact CD1-CD1 3.82Å; L7-F71 HydrophobicContact CD1-CE1 3.71Å; V12-F71 HydrophobicContact CG1-CB 3.68Å; F30-F71 HydrophobicContact CE1-CD1 4.31Å; F30-F71 AromaticContact CE1-CD2 3.94Å; F30-F71 HydrophobicContact CE1-CD2 3.94Å; F30-F71 HydrophobicContact CE1-CE1 4.42Å; F30-F71 HydrophobicContact CE1-CE2 4.09Å; F30-F71 HydrophobicContact CE1-CG 4.09Å; F30-F71 HydrophobicContact CE1-CZ 4.33Å; F30-F71 HydrophobicContact CZ-CB 4.21Å; F30-F71 HydrophobicContact CZ-CD1 4.47Å; F30-F71 HydrophobicContact CZ-CD2 4.04Å; F30-F71 AromaticContact CZ-CG 3.98Å; F30-F71 HydrophobicContact CZ-CG 3.98Å; L36-F71 HydrophobicContact CD1-CE1 3.7Å; L36-F71 HydrophobicContact CD1-CZ 3.8Å; V47-F71 HydrophobicContact CG1-CZ 4.43Å; L51-F71 HydrophobicContact CD1-CZ 4.45Å; L51-F71 HydrophobicContact CD2-CE2 3.68Å; L51-F71 HydrophobicContact CD2-CZ 4.08Å; F67-F71 HydrophobicContact CD1-CD2 4.29Å; F67-F71 AromaticContact CD1-CE2 3.97Å; F67-F71 HydrophobicContact CD1-CE2 3.97Å; F67-F71 HydrophobicContact CD2-CE2 4.07Å; F67-F71 HydrophobicContact CE1-CD2 4Å; F67-F71 AromaticContact CE1-CE2 3.47Å; F67-F71 HydrophobicContact CE1-CE2 3.47Å; F67-F71 VanDerWaalsContact CE1-CE2 3.47Å; F67-F71 HydrophobicContact CE1-CZ 4.32Å; F67-F71 AromaticContact CE2-CE2 3.6Å; F67-F71 HydrophobicContact CE2-CE2 3.6Å; F67-F71 HydrophobicContact CE2-CZ 4.11Å; F67-F71 HydrophobicContact CG-CE2 4.22Å; F67-F71 HydrophobicContact CZ-CD2 4.23Å; F67-F71 AromaticContact CZ-CE2 3.25Å; F67-F71 HydrophobicContact CZ-CE2 3.25Å; F67-F71 AromaticContact CZ-CZ 3.76Å; F67-F71 HydrophobicContact CZ-CZ 3.76Å; F67-F71 WeakPolarHBondContact O-CD2 3.31Å; L68-F71 PolarHBondContact O-N 2.93Å; Q69-F71 VanDerWaalsContact C-N 3.26Å; Q69-F71 PolarHBondContact O-N 3.02Å
72C81.7Confident84.9Confident17 Ų1745.2 Ų45.212%0.11526%0.258CS..  trans-132.9113.4-178.4-170.70000109.9V12 V16 L68 Q69 A74 A75V12-C72 HydrophobicContact CG1-CB 3.96Å; V16-C72 HydrophobicContact CG2-CB 3.87Å; L68-C72 PolarHBondContact O-N 3.46Å; Q69-C72 WeakPolarHBondContact CA-O 3.45Å; Q69-C72 CarbonylContact O-C 3.58Å; C72-A74 PolarHBondContact O-N 2.84Å; C72-A75 HydrophobicContact CB-CB 4.11Å; C72-A75 WeakPolarHBondContact O-CB 3.45Å; C72-A75 PolarHBondContact O-N 2.94Å
73P79.9Confident84.9Confident95 Ų9539.2 Ų39.262%0.61723%0.23SC*.THydrogen-bonded Turntrans-58.8-20.1178.1-23.332.2000114.1
74A81.3Confident84.9Confident92 Ų9244.2 Ų44.276%0.7625%0.252SS*.THydrogen-bonded Turntrans-90.31177.100000113.5C72C72-A74 PolarHBondContact O-N 2.84Å
75A82.5Confident84.9Confident8 Ų847 Ų477%0.06628%0.275CS..SBendtrans-75.3156.1176.800000111.9V16 L68 C72V16-A75 HydrophobicContact CB-CB 4.44Å; V16-A75 HydrophobicContact CG1-CB 3.5Å; V16-A75 HydrophobicContact CG2-CB 3.99Å; L68-A75 HydrophobicContact CB-CB 3.76Å; C72-A75 HydrophobicContact CB-CB 4.11Å; C72-A75 WeakPolarHBondContact O-CB 3.45Å; C72-A75 PolarHBondContact O-N 2.94Å
76R84.6Confident84.9Confident62 Ų6243.4 Ų43.423%0.23426%0.26CS..PPolyproline II helixtrans-74156.6169.167.1176.5-17688.4-4.8110.6C19 Q20 A21 L68 E82C19-R76 PolarHBondContact O-NE 2.86Å; C19-R76 VanDerWaalsContact O-NE 3.07Å; C19-R76 PolarHBondContact O-NH2 3.17Å; Q20-R76 PolarHBondContact O-NE 3.43Å; A21-R76 PolarHBondContact O-NH2 2.62Å; L68-R76 WeakPolarHBondContact CB-O 3.39Å; L68-R76 HydrophobicContact CD1-CG 4.43Å; L68-R76 WeakPolarHBondContact CD1-O 3.34Å; R76-E82 IonicContact CZ-OE1 3.5Å; R76-E82 IonicContact CZ-OE2 2.68Å; R76-E82 IonicContact NH1-OE1 3.92Å; R76-E82 IonicContact NH1-OE2 2.68Å; R76-E82 PolarHBondContact NH1-OE2 3.33Å; R76-E82 IonicContact NH2-OE1 3.6Å; R76-E82 PolarHBondContact NH2-OE1 3.46Å; R76-E82 IonicContact NH2-OE2 2.74Å; R76-E82 PolarHBondContact NH2-OE2 2.86Å
77E87.4Confident85Confident80 Ų8041.8 Ų41.837%0.37425%0.251SS..PPolyproline II helixtrans-66.7150.5164.5-63178.3-165.800110.1K65 L66K65-E77 WeakPolarHBondContact CE-OE2 2.97Å; K65-E77 HydrophobicContact CG-CB 4.33Å; K65-E77 IonicContact NZ-OE2 3.36Å; K65-E77 PolarHBondContact NZ-OE2 2.77Å; L66-E77 HydrophobicContact CD2-CG 4.01Å
78L85.3Confident85.1Confident2 Ų245.3 Ų45.31%0.0128%0.28CS..PPolyproline II helixtrans-66.3143.3168.5-65.6-176.7000109.7F25 L64 K65 L68 E82 T83 L86F25-L78 HydrophobicContact CB-CD2 3.97Å; F25-L78 HydrophobicContact CD1-CD1 3.97Å; F25-L78 HydrophobicContact CD1-CD2 3.44Å; F25-L78 VanDerWaalsContact CD1-CD2 3.44Å; F25-L78 HydrophobicContact CD1-CG 4.4Å; F25-L78 HydrophobicContact CD2-CD2 3.87Å; F25-L78 HydrophobicContact CE1-CD1 3.71Å; F25-L78 HydrophobicContact CE1-CD2 3.81Å; F25-L78 HydrophobicContact CE1-CG 4.45Å; F25-L78 HydrophobicContact CE2-CD2 4.24Å; F25-L78 HydrophobicContact CG-CD2 3.46Å; F25-L78 VanDerWaalsContact CG-CD2 3.46Å; F25-L78 HydrophobicContact CZ-CD1 4.32Å; F25-L78 HydrophobicContact CZ-CD2 4.2Å; L64-L78 WeakPolarHBondContact O-CD1 3.29Å; K65-L78 WeakPolarHBondContact CG-O 3.38Å; K65-L78 PolarHBondContact O-N 2.98Å; L68-L78 HydrophobicContact CD1-CD2 3.48Å; L68-L78 VanDerWaalsContact CD1-CD2 3.48Å; L68-L78 HydrophobicContact CD1-CG 4.25Å; L68-L78 HydrophobicContact CG-CD2 3.89Å; L68-L78 HydrophobicContact CG-CG 4.3Å; L78-E82 HydrophobicContact CB-CB 4.25Å; L78-E82 HydrophobicContact CD2-CB 4.27Å; L78-T83 WeakPolarHBondContact CB-OG1 3.44Å; L78-L86 HydrophobicContact CD1-CD2 4.17Å
79T87.3Confident85.2Confident51 Ų5146.5 Ų46.531%0.31329%0.29SS..PPolyproline II helixtrans-75.1154.2171.561.20000109.4P22 A81 E82 T83P22-T79 HydrophobicContact CB-CG2 4.1Å; T79-A81 PolarHBondContact O-N 2.74Å; T79-E82 WeakPolarHBondContact CB-OE2 3.27Å; T79-E82 PolarHBondContact N-OE2 3.31Å; T79-E82 WeakPolarHBondContact O-CA 3.36Å; T79-E82 WeakPolarHBondContact O-CB 3.44Å; T79-E82 PolarHBondContact O-N 2.92Å; T79-E82 VanDerWaalsContact OG1-CG 3.27Å; T79-E82 WeakPolarHBondContact OG1-CG 3.27Å; T79-E82 PolarHBondContact OG1-N 3.36Å; T79-E82 PolarHBondContact OG1-OE2 3.3Å; T79-T83 PolarHBondContact O-N 2.76Å; T79-T83 PolarHBondContact O-OG1 3.19Å; T79-T83 VanDerWaalsContact O-OG1 3.08Å
80V86.4Confident85.2Confident87 Ų8743.2 Ų43.253%0.52728%0.275SS..Hα-helixtrans-51.1-36.5178-179.70000112.3K84V80-K84 HydrophobicContact CG1-CD 4.25Å; V80-K84 WeakPolarHBondContact O-CB 3.3Å; V80-K84 VanDerWaalsContact O-CG 3.31Å; V80-K84 WeakPolarHBondContact O-CG 3.3Å; V80-K84 PolarHBondContact O-N 3.26Å
81A86.9Confident85.5Confident72 Ų7243.2 Ų43.260%0.59528%0.275SS*.Hα-helixtrans-66-42.1176.800000112.5T79 A85T79-A81 PolarHBondContact O-N 2.74Å; A81-A85 VanDerWaalsContact O-CB 3.31Å; A81-A85 WeakPolarHBondContact O-CB 3.38Å; A81-A85 PolarHBondContact O-N 2.68Å
82E86.5Confident85.7Confident9 Ų950 Ų504%0.04231%0.305CS..Hα-helixtrans-71.5-42.1177.9-68.2164145.100111.5G23 F25 R76 L78 T79 K84 A85 L86G23-E82 WeakPolarHBondContact CA-OE1 3.4Å; G23-E82 PolarHBondContact N-OE1 2.87Å; F25-E82 HydrophobicContact CB-CB 4.4Å; F25-E82 HydrophobicContact CB-CG 4.02Å; F25-E82 VanDerWaalsContact CB-OE1 3.3Å; F25-E82 WeakPolarHBondContact CB-OE1 3.21Å; F25-E82 HydrophobicContact CD1-CB 4.48Å; F25-E82 PolarHBondContact N-OE1 3.34Å; R76-E82 IonicContact CZ-OE1 3.5Å; R76-E82 IonicContact CZ-OE2 2.68Å; R76-E82 IonicContact NH1-OE1 3.92Å; R76-E82 IonicContact NH1-OE2 2.68Å; R76-E82 PolarHBondContact NH1-OE2 3.33Å; R76-E82 IonicContact NH2-OE1 3.6Å; R76-E82 PolarHBondContact NH2-OE1 3.46Å; R76-E82 IonicContact NH2-OE2 2.74Å; R76-E82 PolarHBondContact NH2-OE2 2.86Å; L78-E82 HydrophobicContact CB-CB 4.25Å; L78-E82 HydrophobicContact CD2-CB 4.27Å; T79-E82 WeakPolarHBondContact CB-OE2 3.27Å; T79-E82 PolarHBondContact N-OE2 3.31Å; T79-E82 WeakPolarHBondContact O-CA 3.36Å; T79-E82 WeakPolarHBondContact O-CB 3.44Å; T79-E82 PolarHBondContact O-N 2.92Å; T79-E82 VanDerWaalsContact OG1-CG 3.27Å; T79-E82 WeakPolarHBondContact OG1-CG 3.27Å; T79-E82 PolarHBondContact OG1-N 3.36Å; T79-E82 PolarHBondContact OG1-OE2 3.3Å; E82-K84 VanDerWaalsContact C-N 3.32Å; E82-K84 PolarHBondContact O-N 3.38Å; E82-A85 PolarHBondContact O-N 3.29Å; E82-L86 WeakPolarHBondContact O-CB 3.39Å; E82-L86 PolarHBondContact O-N 3.02Å
83T87.4Confident85.9Confident2 Ų254.1 Ų54.11%0.01233%0.326CS..Hα-helixtrans-58.9-46.8176.3-50.40000110.2E61 L64 L78 T79 A85 L86 M87E61-T83 HydrophobicContact CG-CG2 3.5Å; E61-T83 WeakPolarHBondContact O-CG2 3.48Å; L64-T83 HydrophobicContact CB-CG2 3.93Å; L64-T83 HydrophobicContact CD2-CG2 3.46Å; L64-T83 VanDerWaalsContact CD2-CG2 3.46Å; L64-T83 WeakPolarHBondContact CD2-O 2.91Å; L64-T83 HydrophobicContact CG-CG2 4.25Å; L78-T83 WeakPolarHBondContact CB-OG1 3.44Å; T79-T83 PolarHBondContact O-N 2.76Å; T79-T83 PolarHBondContact O-OG1 3.19Å; T79-T83 VanDerWaalsContact O-OG1 3.08Å; T83-A85 PolarHBondContact O-N 2.87Å; T83-L86 PolarHBondContact O-N 3.44Å; T83-M87 VanDerWaalsContact O-CB 3.25Å; T83-M87 WeakPolarHBondContact O-CB 3.38Å; T83-M87 PolarHBondContact O-N 2.78Å
84K86.9Confident86.2Confident123 Ų12354.5 Ų54.554%0.53533%0.331SS..Hα-helixtrans-65.2-38.1175.3-75.5-175.5177-170.30113.6V80 E82 A88V80-K84 HydrophobicContact CG1-CD 4.25Å; V80-K84 WeakPolarHBondContact O-CB 3.3Å; V80-K84 VanDerWaalsContact O-CG 3.31Å; V80-K84 WeakPolarHBondContact O-CG 3.3Å; V80-K84 PolarHBondContact O-N 3.26Å; E82-K84 VanDerWaalsContact C-N 3.32Å; E82-K84 PolarHBondContact O-N 3.38Å; K84-A88 WeakPolarHBondContact O-CB 3.43Å; K84-A88 PolarHBondContact O-N 2.83Å
85A86.7Confident86.5Confident61 Ų6153.1 Ų53.150%0.50431%0.31SS..Hα-helixtrans-66.9-40.2177.600000111.9A81 E82 T83 A89A81-A85 VanDerWaalsContact O-CB 3.31Å; A81-A85 WeakPolarHBondContact O-CB 3.38Å; A81-A85 PolarHBondContact O-N 2.68Å; E82-A85 PolarHBondContact O-N 3.29Å; T83-A85 PolarHBondContact O-N 2.87Å; A85-A89 WeakPolarHBondContact O-CB 3.46Å; A85-A89 PolarHBondContact O-N 3.11Å; A85-A89 VanDerWaalsContact O-N 3.16Å
86L85.6Confident86.6Confident4 Ų454.7 Ų54.72%0.02133%0.327CS..Hα-helixtrans-67.8-47.4174.3174.159.2000111F25 F27 L64 L78 E82 T83 A89 G90F25-L86 HydrophobicContact CE1-CD2 4.05Å; F27-L86 HydrophobicContact CB-CD1 3.51Å; F27-L86 HydrophobicContact CD1-CB 4.47Å; F27-L86 HydrophobicContact CD1-CD1 3.53Å; F27-L86 HydrophobicContact CD2-CD1 3.94Å; F27-L86 HydrophobicContact CE1-CD1 4.23Å; F27-L86 HydrophobicContact CG-CD1 3.37Å; L64-L86 HydrophobicContact CD1-CD2 3.67Å; L64-L86 HydrophobicContact CD1-CG 4.01Å; L64-L86 HydrophobicContact CD2-CB 3.78Å; L64-L86 HydrophobicContact CD2-CD2 3.55Å; L64-L86 HydrophobicContact CD2-CG 3.66Å; L64-L86 HydrophobicContact CG-CD2 3.54Å; L64-L86 HydrophobicContact CG-CG 4.1Å; L78-L86 HydrophobicContact CD1-CD2 4.17Å; E82-L86 WeakPolarHBondContact O-CB 3.39Å; E82-L86 PolarHBondContact O-N 3.02Å; T83-L86 PolarHBondContact O-N 3.44Å; L86-A89 WeakPolarHBondContact O-CB 3.48Å; L86-A89 PolarHBondContact O-N 2.94Å; L86-A89 VanDerWaalsContact O-N 3.1Å; L86-G90 PolarHBondContact O-N 3.35Å
87M87.5Confident86.8Confident16 Ų1654.4 Ų54.48%0.07933%0.328CS..Hα-helixtrans-55.3-56.9176.3-172.362.777.600109.7E61 L64 T83 A89 G90 D91 G96 I98E61-M87 HydrophobicContact CB-CE 4.22Å; L64-M87 HydrophobicContact CD2-CB 4.34Å; L64-M87 HydrophobicContact CD2-CE 4.45Å; T83-M87 VanDerWaalsContact O-CB 3.25Å; T83-M87 WeakPolarHBondContact O-CB 3.38Å; T83-M87 PolarHBondContact O-N 2.78Å; M87-A89 PolarHBondContact O-N 3.25Å; M87-G90 CarbonylContact O-C 3.45Å; M87-G90 PolarHBondContact O-N 3.33Å; M87-D91 HydrophobicContact CG-CB 4.09Å; M87-D91 WeakPolarHBondContact O-CA 3.49Å; M87-D91 WeakPolarHBondContact O-CB 3.31Å; M87-D91 PolarHBondContact O-N 3.23Å; M87-D91 HydrophobicContact SD-CB 3.92Å; M87-G96 VanDerWaalsContact CE-O 3.31Å; M87-G96 WeakPolarHBondContact CE-O 3.35Å; M87-I98 HydrophobicContact SD-CD1 4.26Å; M87-I98 HydrophobicContact SD-CG1 3.64Å
88A87.3Confident87Confident76 Ų7650.7 Ų50.763%0.62831%0.31SS*.Hα-helixtrans-61.1-19.9179.300000114.7K84K84-A88 WeakPolarHBondContact O-CB 3.43Å; K84-A88 PolarHBondContact O-N 2.83Å
89A86.3Confident87.2Confident27 Ų2751 Ų5122%0.22331%0.314CS..Hα-helixtrans-82.8-36.2174.500000112.6F27 A85 L86 M87 K92 L106F27-A89 HydrophobicContact CE1-CB 3.57Å; F27-A89 HydrophobicContact CE2-CB 4.34Å; F27-A89 HydrophobicContact CZ-CB 3.37Å; A85-A89 WeakPolarHBondContact O-CB 3.46Å; A85-A89 PolarHBondContact O-N 3.11Å; A85-A89 VanDerWaalsContact O-N 3.16Å; L86-A89 WeakPolarHBondContact O-CB 3.48Å; L86-A89 PolarHBondContact O-N 2.94Å; L86-A89 VanDerWaalsContact O-N 3.1Å; M87-A89 PolarHBondContact O-N 3.25Å; A89-K92 PolarHBondContact O-NZ 2.88Å; A89-K92 VanDerWaalsContact O-NZ 3.1Å; A89-L106 HydrophobicContact CB-CD2 4.37Å
90G85.4Confident87.2Confident0 Ų051.1 Ų51.10%031%0.312CS..Hα-helixtrans-87.6-50.7-178.500000114.1L86 M87 K92 E102L86-G90 PolarHBondContact O-N 3.35Å; M87-G90 CarbonylContact O-C 3.45Å; M87-G90 PolarHBondContact O-N 3.33Å; G90-K92 PolarHBondContact O-N 3.04Å; G90-E102 WeakPolarHBondContact O-CB 3.31Å
91D90.2Very high87.2Confident21 Ų2154.5 Ų54.511%0.11232%0.322CS..  trans-64.398176.1179.84.5000109.9M87 S94 D95 G96M87-D91 HydrophobicContact CG-CB 4.09Å; M87-D91 WeakPolarHBondContact O-CA 3.49Å; M87-D91 WeakPolarHBondContact O-CB 3.31Å; M87-D91 PolarHBondContact O-N 3.23Å; M87-D91 HydrophobicContact SD-CB 3.92Å; D91-S94 WeakPolarHBondContact OD1-CA 2.77Å; D91-S94 PolarHBondContact OD1-N 2.85Å; D91-S94 WeakPolarHBondContact OD2-CA 3.27Å; D91-D95 PolarHBondContact OD1-N 3Å; D91-D95 VanDerWaalsContact OD1-N 3.1Å; D91-G96 WeakPolarHBondContact OD2-CA 3.31Å; D91-G96 PolarHBondContact OD2-N 2.97Å
92K86.2Confident87.4Confident145 Ų14552.2 Ų52.263%0.6330%0.299SS*.SBendtrans-90.1-31.9179.2-67.1-57.6-179.8-160.80111.7A89 G90 S94 E102A89-K92 PolarHBondContact O-NZ 2.88Å; A89-K92 VanDerWaalsContact O-NZ 3.1Å; G90-K92 PolarHBondContact O-N 3.04Å; K92-S94 VanDerWaalsContact C-N 3.33Å; K92-E102 PolarHBondContact N-OE1 3.01Å
93D87.1Confident87.4Confident104 Ų10451.9 Ų51.956%0.55630%0.297SS*.SBendtrans-88.9-3.5-178.670.95.9000113.5D95 E102D93-D95 VanDerWaalsContact C-N 3.27Å; D93-D95 PolarHBondContact O-N 3.45Å; D93-D95 WeakPolarHBondContact OD1-CB 2.98Å; D93-D95 PolarHBondContact OD1-N 2.92Å; D93-D95 VanDerWaalsContact OD1-N 3.07Å; D93-E102 PolarHBondContact N-OE1 2.72Å
94S84.6Confident87.2Confident103 Ų10352.7 Ų52.772%0.7230%0.303SS*.  trans6034.2-179.2-55.90000113.1D91 K92 G96D91-S94 WeakPolarHBondContact OD1-CA 2.77Å; D91-S94 PolarHBondContact OD1-N 2.85Å; D91-S94 WeakPolarHBondContact OD2-CA 3.27Å; K92-S94 VanDerWaalsContact C-N 3.33Å; S94-G96 VanDerWaalsContact C-N 3.3Å
95D87.4Confident87.1Confident63 Ų6351.8 Ų51.834%0.33730%0.304SS..SBendtrans-84.3-5.5177.279.8-4.2000113.4D91 D93 K97D91-D95 PolarHBondContact OD1-N 3Å; D91-D95 VanDerWaalsContact OD1-N 3.1Å; D93-D95 VanDerWaalsContact C-N 3.27Å; D93-D95 PolarHBondContact O-N 3.45Å; D93-D95 WeakPolarHBondContact OD1-CB 2.98Å; D93-D95 PolarHBondContact OD1-N 2.92Å; D93-D95 VanDerWaalsContact OD1-N 3.07Å; D95-K97 WeakPolarHBondContact OD1-CG 3.22Å; D95-K97 PolarHBondContact OD1-N 3.4Å; D95-K97 WeakPolarHBondContact OD2-CE 3.12Å; D95-K97 VanDerWaalsContact OD2-CG 3.27Å; D95-K97 WeakPolarHBondContact OD2-CG 3.25Å; D95-K97 IonicContact OD2-NZ 3.58Å
96G85.6Confident86.9Confident40 Ų4049.9 Ų49.941%0.41229%0.285SS..SBendtrans84.411.8177.300000114.3M87 D91 S94M87-G96 VanDerWaalsContact CE-O 3.31Å; M87-G96 WeakPolarHBondContact CE-O 3.35Å; D91-G96 WeakPolarHBondContact OD2-CA 3.31Å; D91-G96 PolarHBondContact OD2-N 2.97Å; S94-G96 VanDerWaalsContact C-N 3.3Å
97K89.3Confident86.5Confident57 Ų5749.8 Ų49.825%0.24829%0.285CS..SBendtrans-144.7164.9179.854.2-173-173.9168.10109.3F58 I59 E60 D95F58-K97 HydrophobicContact CB-CB 3.97Å; F58-K97 HydrophobicContact CB-CD 3.59Å; F58-K97 HydrophobicContact CB-CG 3.94Å; F58-K97 HydrophobicContact CD1-CD 3.76Å; F58-K97 HydrophobicContact CD1-CG 3.93Å; F58-K97 HydrophobicContact CD2-CD 4.14Å; F58-K97 HydrophobicContact CE1-CD 4.49Å; F58-K97 HydrophobicContact CG-CD 3.56Å; F58-K97 HydrophobicContact CG-CG 4.1Å; I59-K97 WeakPolarHBondContact O-CA 3.43Å; E60-K97 HydrophobicContact CG-CB 4.48Å; D95-K97 WeakPolarHBondContact OD1-CG 3.22Å; D95-K97 PolarHBondContact OD1-N 3.4Å; D95-K97 WeakPolarHBondContact OD2-CE 3.12Å; D95-K97 VanDerWaalsContact OD2-CG 3.27Å; D95-K97 WeakPolarHBondContact OD2-CG 3.25Å; D95-K97 IonicContact OD2-NZ 3.58Å
98I90.3Very high85.6Confident2 Ų257.1 Ų57.11%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-110.5115.3-179.8-55.3-179.6000109F48 F58 I59 L64 M87 E102 F103 L106F48-I98 VanDerWaalsContact CE2-O 3.32Å; F48-I98 WeakPolarHBondContact CE2-O 3.2Å; F48-I98 WeakPolarHBondContact CZ-O 3.43Å; F58-I98 CarbonylContact C-O 3.6Å; F58-I98 WeakPolarHBondContact CA-O 3.45Å; I59-I98 HydrophobicContact CB-CB 4.34Å; I59-I98 PolarHBondContact N-O 2.89Å; I59-I98 PolarHBondContact O-N 2.84Å; L64-I98 HydrophobicContact CD1-CD1 3.54Å; L64-I98 HydrophobicContact CD1-CG1 4.4Å; M87-I98 HydrophobicContact SD-CD1 4.26Å; M87-I98 HydrophobicContact SD-CG1 3.64Å; I98-E102 WeakPolarHBondContact CA-OE2 3.49Å; I98-E102 HydrophobicContact CG2-CB 3.93Å; I98-F103 HydrophobicContact CG2-CB 4.12Å; I98-L106 HydrophobicContact CD1-CD1 4.23Å; I98-L106 HydrophobicContact CG2-CD1 4.23Å
99G90.6Very high85.5Confident8 Ų856.2 Ų56.28%0.08231%0.309CS..EExtended strand (participates in β ladder)trans-75.1166173.100000113.2F48 E101 E102 F103F48-G99 VanDerWaalsContact CE2-C 3.5Å; G99-E101 VanDerWaalsContact C-N 3.27Å; G99-E101 PolarHBondContact O-N 2.86Å; G99-E102 PolarHBondContact N-OE2 2.84Å; G99-E102 PolarHBondContact O-N 3.5Å; G99-F103 WeakPolarHBondContact O-CB 3.5Å; G99-F103 PolarHBondContact O-N 3.2Å
100I87.3Confident85.5Confident54 Ų5457.7 Ų57.728%0.27731%0.313SS..Hα-helixtrans-64-32.5-179.8-158.8161.2000113.2K45 F48 C104K45-I100 HydrophobicContact CB-CD1 3.98Å; K45-I100 HydrophobicContact CD-CD1 4.04Å; K45-I100 HydrophobicContact CG-CD1 3.52Å; K45-I100 HydrophobicContact CG-CG1 4.08Å; F48-I100 HydrophobicContact CB-CD1 4.29Å; F48-I100 HydrophobicContact CB-CG1 4.11Å; F48-I100 HydrophobicContact CD1-CB 4.04Å; F48-I100 HydrophobicContact CD1-CD1 3.77Å; F48-I100 HydrophobicContact CD1-CG1 3.84Å; F48-I100 HydrophobicContact CD2-CB 4.3Å; F48-I100 HydrophobicContact CD2-CG1 4.21Å; F48-I100 HydrophobicContact CE1-CB 3.99Å; F48-I100 HydrophobicContact CE1-CD1 4.36Å; F48-I100 HydrophobicContact CE1-CG1 4.31Å; F48-I100 HydrophobicContact CE2-CB 4.23Å; F48-I100 HydrophobicContact CG-CB 4.18Å; F48-I100 HydrophobicContact CG-CD1 4.1Å; F48-I100 HydrophobicContact CG-CG1 3.78Å; F48-I100 HydrophobicContact CZ-CB 4.07Å; I100-C104 WeakPolarHBondContact O-CB 3.36Å; I100-C104 PolarHBondContact O-N 2.77Å; I100-C104 PolarHBondContact O-SG 3.1Å; I100-C104 VanDerWaalsContact O-SG 3.37Å
101E87Confident85.5Confident158 Ų15860.9 Ų60.974%0.73833%0.331SS*.Hα-helixtrans-70-46.3176.8-64.5-171.6163.800110.4G99 F103 C104 D105G99-E101 VanDerWaalsContact C-N 3.27Å; G99-E101 PolarHBondContact O-N 2.86Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 2.97Å; E101-C104 WeakPolarHBondContact O-CB 3.41Å; E101-C104 PolarHBondContact O-N 3.16Å; E101-C104 VanDerWaalsContact O-N 3.11Å; E101-D105 PolarHBondContact O-N 2.93Å
102E89.4Confident85.2Confident23 Ų2363.2 Ų63.211%0.10734%0.344CS..Hα-helixtrans-63.1-39176.1-65.9177.9133.800112.4G90 K92 D93 I98 G99 C104 D105 L106G90-E102 WeakPolarHBondContact O-CB 3.31Å; K92-E102 PolarHBondContact N-OE1 3.01Å; D93-E102 PolarHBondContact N-OE1 2.72Å; I98-E102 WeakPolarHBondContact CA-OE2 3.49Å; I98-E102 HydrophobicContact CG2-CB 3.93Å; G99-E102 PolarHBondContact N-OE2 2.84Å; G99-E102 PolarHBondContact O-N 3.5Å; E102-C104 VanDerWaalsContact C-N 3.35Å; E102-D105 PolarHBondContact O-N 2.81Å; E102-L106 WeakPolarHBondContact O-CB 3.34Å; E102-L106 WeakPolarHBondContact O-CG 3.38Å; E102-L106 PolarHBondContact O-N 2.98Å
103F86.4Confident85.1Confident3 Ų358.1 Ų58.11%0.01333%0.326CS..Hα-helixtrans-63.9-40.3172.7-174.3-99.4000112F31 V47 F48 L51 I59 I98 G99 E101 D105 L106 L107F31-F103 HydrophobicContact CE1-CE2 4.04Å; F31-F103 HydrophobicContact CE1-CZ 4.01Å; F31-F103 AromaticContact CZ-CE2 3.63Å; F31-F103 HydrophobicContact CZ-CE2 3.63Å; F31-F103 HydrophobicContact CZ-CZ 4.06Å; V47-F103 HydrophobicContact CB-CE1 4.47Å; V47-F103 HydrophobicContact CG1-CE1 3.93Å; V47-F103 HydrophobicContact CG1-CZ 3.73Å; F48-F103 HydrophobicContact CB-CD1 4.18Å; F48-F103 HydrophobicContact CB-CE1 4.43Å; F48-F103 HydrophobicContact CD2-CB 3.67Å; F48-F103 HydrophobicContact CD2-CD1 4.03Å; F48-F103 HydrophobicContact CD2-CD2 4.33Å; F48-F103 AromaticContact CD2-CG 3.76Å; F48-F103 HydrophobicContact CD2-CG 3.76Å; F48-F103 HydrophobicContact CE2-CB 4.01Å; F48-F103 HydrophobicContact CE2-CG 4.48Å; L51-F103 HydrophobicContact CD1-CE2 3.85Å; L51-F103 HydrophobicContact CD1-CZ 3.86Å; I59-F103 HydrophobicContact CD1-CD2 4.2Å; I59-F103 HydrophobicContact CD1-CE2 4.47Å; I98-F103 HydrophobicContact CG2-CB 4.12Å; G99-F103 WeakPolarHBondContact O-CB 3.5Å; G99-F103 PolarHBondContact O-N 3.2Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 2.97Å; F103-D105 VanDerWaalsContact C-N 3.34Å; F103-L106 WeakPolarHBondContact O-CB 3.21Å; F103-L106 PolarHBondContact O-N 3.1Å; F103-L107 HydrophobicContact CD1-CD1 3.84Å; F103-L107 HydrophobicContact CE1-CD1 3.35Å; F103-L107 HydrophobicContact CE1-CG 4.3Å; F103-L107 HydrophobicContact CZ-CD1 3.86Å; F103-L107 WeakPolarHBondContact O-CG 3.02Å; F103-L107 PolarHBondContact O-N 3.36Å
104C84Confident85Confident19 Ų1955.1 Ų55.113%0.12831%0.31CS..Hα-helixtrans-65.2-37.9173.8-81.30000112.2R44 I100 E101 E102 L107 N108R44-C104 PolarHBondContact NH1-O 2.87Å; I100-C104 WeakPolarHBondContact O-CB 3.36Å; I100-C104 PolarHBondContact O-N 2.77Å; I100-C104 PolarHBondContact O-SG 3.1Å; I100-C104 VanDerWaalsContact O-SG 3.37Å; E101-C104 WeakPolarHBondContact O-CB 3.41Å; E101-C104 PolarHBondContact O-N 3.16Å; E101-C104 VanDerWaalsContact O-N 3.11Å; E102-C104 VanDerWaalsContact C-N 3.35Å; C104-L107 PolarHBondContact O-N 3.1Å; C104-N108 PolarHBondContact O-N 2.67Å
105D84.6Confident85Confident103 Ų10351.6 Ų51.655%0.55128%0.281SS*.Hα-helixtrans-69.1-34.3175.3-85.5-7.7000112.3E101 E102 F103 L107 N108E101-D105 PolarHBondContact O-N 2.93Å; E102-D105 PolarHBondContact O-N 2.81Å; F103-D105 VanDerWaalsContact C-N 3.34Å; D105-L107 PolarHBondContact O-N 3.07Å; D105-N108 PolarHBondContact O-N 3.05Å
106L82.5Confident84.8Confident21 Ų2150.8 Ų50.811%0.1128%0.277CS..Hα-helixtrans-61.9-28.2170.9-86.2169.7000113F27 A89 I98 E102 F103F27-L106 HydrophobicContact CD2-CD2 3.89Å; F27-L106 HydrophobicContact CE2-CD2 3.28Å; F27-L106 HydrophobicContact CZ-CD2 3.93Å; A89-L106 HydrophobicContact CB-CD2 4.37Å; I98-L106 HydrophobicContact CD1-CD1 4.23Å; I98-L106 HydrophobicContact CG2-CD1 4.23Å; E102-L106 WeakPolarHBondContact O-CB 3.34Å; E102-L106 WeakPolarHBondContact O-CG 3.38Å; E102-L106 PolarHBondContact O-N 2.98Å; F103-L106 WeakPolarHBondContact O-CB 3.21Å; F103-L106 PolarHBondContact O-N 3.1Å
107L77.6Confident84.8Confident2 Ų251.7 Ų51.71%0.0127%0.265CS..THydrogen-bonded Turntrans-95-3.8-178.1-69.5178.4000114.1F31 L36 T37 R44 F103 C104 D105F31-L107 HydrophobicContact CB-CD2 3.54Å; F31-L107 HydrophobicContact CD1-CD2 3.64Å; F31-L107 HydrophobicContact CD2-CD2 3.51Å; F31-L107 HydrophobicContact CE1-CD2 4.1Å; F31-L107 HydrophobicContact CE2-CD2 4.07Å; F31-L107 HydrophobicContact CG-CD2 3.3Å; F31-L107 HydrophobicContact CZ-CD2 4.34Å; L36-L107 HydrophobicContact CB-CD2 3.89Å; T37-L107 HydrophobicContact CG2-CD2 4.49Å; R44-L107 HydrophobicContact CB-CD1 4.22Å; R44-L107 HydrophobicContact CG-CD1 3.74Å; R44-L107 PolarHBondContact NH2-O 3.5Å; F103-L107 HydrophobicContact CD1-CD1 3.84Å; F103-L107 HydrophobicContact CE1-CD1 3.35Å; F103-L107 HydrophobicContact CE1-CG 4.3Å; F103-L107 HydrophobicContact CZ-CD1 3.86Å; F103-L107 WeakPolarHBondContact O-CG 3.02Å; F103-L107 PolarHBondContact O-N 3.36Å; C104-L107 PolarHBondContact O-N 3.1Å; D105-L107 PolarHBondContact O-N 3.07Å
108N68.3Low84.4Confident170 Ų17051.2 Ų51.291%0.90927%0.267SS*.  trans-88.60174.9-102.70.8000112.2R44 C104 D105R44-N108 PolarHBondContact NH1-OD1 3.29Å; R44-N108 PolarHBondContact NH2-OD1 2.82Å; C104-N108 PolarHBondContact O-N 2.67Å; D105-N108 PolarHBondContact O-N 3.05Å

Retrieved 108 of 108 residues in 119.9 ms (Link to these results)

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