A0A087XR57_POEFO Loading...

SH3 domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XR57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 73 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.6Low71.2Confident230 Ų23095.3 Ų95.3100%1.13356%0.561SS**  0132.80-72.1179.4-159.100107
2S58.3Low72.9Confident30 Ų3087.9 Ų87.921%0.2152%0.518CS..  trans-65.4138174.1-179.40000109.6N4 E11S2-N4 PolarHBondContact O-N 2.9Å; S2-N4 PolarHBondContact OG-N 3.37Å; S2-N4 PolarHBondContact OG-O 3.32Å; S2-E11 WeakPolarHBondContact CB-OE1 3.37Å; S2-E11 VanDerWaalsContact CB-OE2 3.23Å; S2-E11 WeakPolarHBondContact CB-OE2 3.45Å; S2-E11 VanDerWaalsContact OG-CD 3.3Å; S2-E11 PolarHBondContact OG-OE1 2.87Å; S2-E11 PolarHBondContact OG-OE2 2.81Å
3P68.8Low74.3Confident125 Ų12588 Ų8881%0.81252%0.522SS*.SBendtrans-68.6-15.4172.629.8-34.8000112.5
4N69.9Low75.6Confident70 Ų7085.7 Ų85.737%0.37450%0.502SS..  trans-118.499.8-179.4-167.413.8000111.3S2 D6 T7 A8S2-N4 PolarHBondContact O-N 2.9Å; S2-N4 PolarHBondContact OG-N 3.37Å; S2-N4 PolarHBondContact OG-O 3.32Å; N4-D6 PolarHBondContact O-N 3.41Å; N4-T7 WeakPolarHBondContact CB-OG1 3.39Å; N4-T7 VanDerWaalsContact CG-OG1 3.28Å; N4-T7 PolarHBondContact ND2-OG1 2.7Å; N4-T7 PolarHBondContact O-N 3.42Å; N4-A8 PolarHBondContact O-N 2.97Å; N4-A8 VanDerWaalsContact O-N 3.12Å
5P66.7Low76.8Confident105 Ų10586.3 Ų86.368%0.68251%0.507SS*.THydrogen-bonded Turntrans-65.2-23.1-176.625.6-32.7000113.4
6D69.7Low77.8Confident145 Ų14589.4 Ų89.478%0.77553%0.53SS*.THydrogen-bonded Turntrans-76.3-30.9-179.3-62.6-48.4000112.8N4N4-D6 PolarHBondContact O-N 3.41Å
7T69.6Low78.6Confident49 Ų4988.9 Ų88.930%0.30155%0.548SS..THydrogen-bonded Turntrans-99.7-3.2175.544.90000113.5N4 A9 E10 E11N4-T7 WeakPolarHBondContact CB-OG1 3.39Å; N4-T7 VanDerWaalsContact CG-OG1 3.28Å; N4-T7 PolarHBondContact ND2-OG1 2.7Å; N4-T7 PolarHBondContact O-N 3.42Å; T7-A9 PolarHBondContact O-N 3.42Å; T7-A9 VanDerWaalsContact O-N 3.08Å; T7-E10 PolarHBondContact O-N 3.04Å; T7-E11 PolarHBondContact O-N 3.32Å
8A72.7Confident79.4Confident43 Ų4387.7 Ų87.736%0.35554%0.535SS..THydrogen-bonded Turntrans-59.3-24.6-179.100000113.6N4 E10N4-A8 PolarHBondContact O-N 2.97Å; N4-A8 VanDerWaalsContact O-N 3.12Å; A8-E10 VanDerWaalsContact C-N 3.31Å
9A76.8Confident80.1Confident100 Ų10085.8 Ų85.883%0.82652%0.521SS*.THydrogen-bonded Turntrans-74.5-20.4176.200000113.5T7T7-A9 PolarHBondContact O-N 3.42Å; T7-A9 VanDerWaalsContact O-N 3.08Å
10E84.4Confident80.8Confident112 Ų11283 Ų8352%0.52350%0.503SS..THydrogen-bonded Turntrans-93.8-15.2179.3-54.7-173.4155.300112.1T7 A8 G41 Y42T7-E10 PolarHBondContact O-N 3.04Å; A8-E10 VanDerWaalsContact C-N 3.31Å; E10-G41 CarbonylContact O-C 3.57Å; E10-G41 WeakPolarHBondContact O-CA 3.29Å; E10-Y42 HydrophobicContact CB-CD2 3.88Å; E10-Y42 HydrophobicContact CB-CE2 4.22Å; E10-Y42 PolarHBondContact O-N 3.43Å
11E89.2Confident81.4Confident39 Ų3984.7 Ų84.718%0.18250%0.503CS..BIsolated β-bridgetrans-76.6138.6175.1-68.7178-157.700111.5S2 T7 P13 Y42S2-E11 WeakPolarHBondContact CB-OE1 3.37Å; S2-E11 VanDerWaalsContact CB-OE2 3.23Å; S2-E11 WeakPolarHBondContact CB-OE2 3.45Å; S2-E11 VanDerWaalsContact OG-CD 3.3Å; S2-E11 PolarHBondContact OG-OE1 2.87Å; S2-E11 PolarHBondContact OG-OE2 2.81Å; T7-E11 PolarHBondContact O-N 3.32Å; E11-P13 WeakPolarHBondContact O-CD 3.25Å; E11-Y42 CarbonylContact C-O 3.53Å; E11-Y42 WeakPolarHBondContact CA-O 3.42Å
12L92.3Very high83.2Confident7 Ų776.7 Ų76.74%0.03747%0.467CS..PPolyproline II helixtrans-72.3125.2174.5-173.272.6000109.5F14 I20 L39 Y42 V43L12-F14 WeakPolarHBondContact O-CD1 3.4Å; L12-F14 WeakPolarHBondContact O-CE1 3.31Å; L12-I20 HydrophobicContact CD2-CG2 3.72Å; L12-L39 VanDerWaalsContact CD1-C 3.48Å; L12-L39 HydrophobicContact CD1-CB 3.68Å; L12-L39 VanDerWaalsContact CD1-O 3.24Å; L12-L39 WeakPolarHBondContact CD1-O 3.31Å; L12-Y42 PolarHBondContact N-O 3.4Å; L12-V43 HydrophobicContact CB-CG2 4.06Å; L12-V43 HydrophobicContact CD2-CG2 3.91Å
13P90.8Very high84.7Confident89 Ų8979.3 Ų79.358%0.57848%0.475SS*.PPolyproline II helixtrans-76.2129.9172.929.5-32.8000110.8E11 L39E11-P13 WeakPolarHBondContact O-CD 3.25Å; P13-L39 HydrophobicContact CG-CD1 3.96Å
14F92.8Very high85.8Confident56 Ų5676.4 Ų76.425%0.24647%0.467CS..  trans-147.7166175.756-91.9000112.3L12 Q18 I20 V43 P44 M47 V48L12-F14 WeakPolarHBondContact O-CD1 3.4Å; L12-F14 WeakPolarHBondContact O-CE1 3.31Å; F14-Q18 HydrophobicContact CB-CB 4.49Å; F14-Q18 HydrophobicContact CB-CG 4.5Å; F14-I20 HydrophobicContact CB-CD1 3.83Å; F14-I20 HydrophobicContact CB-CG1 4.47Å; F14-I20 HydrophobicContact CD1-CD1 3.65Å; F14-I20 HydrophobicContact CD2-CD1 4.02Å; F14-I20 HydrophobicContact CE1-CD1 4.24Å; F14-I20 HydrophobicContact CG-CD1 3.56Å; F14-V43 HydrophobicContact CE1-CG1 4.02Å; F14-V43 HydrophobicContact CZ-CG1 4.31Å; F14-P44 HydrophobicContact CZ-CG 4.26Å; F14-M47 HydrophobicContact CE2-CB 4.05Å; F14-M47 HydrophobicContact CZ-CB 3.95Å; F14-M47 HydrophobicContact CZ-SD 4.37Å; F14-V48 HydrophobicContact CE2-CG1 4.21Å; F14-V48 HydrophobicContact CZ-CG1 4.25Å
15V93.4Very high86.9Confident94 Ų9480.4 Ų80.457%0.5749%0.489SS*.  trans-118.4160.3177.9-60.20000111.7G17 Q18V15-G17 PolarHBondContact O-N 2.92Å; V15-Q18 HydrophobicContact CG2-CB 4.17Å; V15-Q18 WeakPolarHBondContact O-CB 3.41Å; V15-Q18 PolarHBondContact O-N 3.14Å; V15-Q18 VanDerWaalsContact O-N 3.12Å
16P93.4Very high88.1Confident136 Ų13680.4 Ų80.488%0.88348%0.478SS*.THydrogen-bonded Turntrans-54.7132.5176.7-26.535.7000112.5Q18P16-Q18 VanDerWaalsContact C-N 3.32Å
17G90.8Very high89.1Confident81 Ų8176.2 Ų76.284%0.83546%0.456SS*.THydrogen-bonded Turntrans83.5-1.8-179.300000115.2V15V15-G17 PolarHBondContact O-N 2.92Å
18Q92.9Very high90.1Very high67 Ų6779.5 Ų79.531%0.31348%0.481SS..  trans-71.8132.4174.3-175.4171.7-10.800111F14 V15 P16 S36F14-Q18 HydrophobicContact CB-CB 4.49Å; F14-Q18 HydrophobicContact CB-CG 4.5Å; V15-Q18 HydrophobicContact CG2-CB 4.17Å; V15-Q18 WeakPolarHBondContact O-CB 3.41Å; V15-Q18 PolarHBondContact O-N 3.14Å; V15-Q18 VanDerWaalsContact O-N 3.12Å; P16-Q18 VanDerWaalsContact C-N 3.32Å; Q18-S36 PolarHBondContact NE2-OG 3.22Å
19I92.8Very high90.9Very high52 Ų5283.6 Ų83.627%0.26750%0.497SS..  trans-81.2130.1172.3-53.8-56.6000109.1S36 V51 L62 F67I19-S36 PolarHBondContact O-OG 3.24Å; I19-S36 VanDerWaalsContact O-OG 3.06Å; I19-V51 HydrophobicContact CD1-CG2 4.36Å; I19-L62 HydrophobicContact CD1-CD2 4.41Å; I19-L62 HydrophobicContact CG1-CD2 4.28Å; I19-L62 HydrophobicContact CG2-CD2 4.42Å; I19-F67 HydrophobicContact CB-CD1 4.06Å; I19-F67 HydrophobicContact CB-CD2 4.26Å; I19-F67 HydrophobicContact CB-CE1 3.82Å; I19-F67 HydrophobicContact CB-CE2 4.04Å; I19-F67 HydrophobicContact CB-CG 4.28Å; I19-F67 HydrophobicContact CB-CZ 3.82Å; I19-F67 HydrophobicContact CG1-CD2 4.32Å; I19-F67 HydrophobicContact CG1-CE2 4.07Å; I19-F67 HydrophobicContact CG1-CZ 4.29Å; I19-F67 HydrophobicContact CG2-CB 4.28Å; I19-F67 HydrophobicContact CG2-CD1 3.65Å; I19-F67 HydrophobicContact CG2-CD2 4.15Å; I19-F67 HydrophobicContact CG2-CE1 3.96Å; I19-F67 HydrophobicContact CG2-CE2 4.41Å; I19-F67 HydrophobicContact CG2-CG 3.77Å; I19-F67 HydrophobicContact CG2-CZ 4.33Å
20I94.4Very high91.6Very high29 Ų2979.4 Ų79.415%0.14946%0.464CS..  trans-121.3129.2-179.9-55.9170.9000107.4L12 F14 V22 V43 V48L12-I20 HydrophobicContact CD2-CG2 3.72Å; F14-I20 HydrophobicContact CB-CD1 3.83Å; F14-I20 HydrophobicContact CB-CG1 4.47Å; F14-I20 HydrophobicContact CD1-CD1 3.65Å; F14-I20 HydrophobicContact CD2-CD1 4.02Å; F14-I20 HydrophobicContact CE1-CD1 4.24Å; F14-I20 HydrophobicContact CG-CD1 3.56Å; I20-V22 PolarHBondContact O-N 2.93Å; I20-V43 HydrophobicContact CD1-CG1 4.09Å; I20-V43 HydrophobicContact CD1-CG2 4.49Å; I20-V43 HydrophobicContact CG2-CG2 4Å; I20-V48 HydrophobicContact CD1-CG1 4.21Å
21K93.2Very high92Very high119 Ų11977 Ų7752%0.51745%0.451SS..EExtended strand (participates in β ladder)trans-82.8115.1173.8-176.8175.8-179.3179.50108.5F23 G34 E35K21-F23 HydrophobicContact CD-CE1 4.14Å; K21-F23 HydrophobicContact CD-CZ 3.89Å; K21-F23 HydrophobicContact CG-CE1 4.37Å; K21-F23 HydrophobicContact CG-CE2 4.43Å; K21-F23 HydrophobicContact CG-CZ 4.09Å; K21-G34 CarbonylContact O-C 3.59Å; K21-G34 WeakPolarHBondContact O-CA 3.49Å; K21-E35 PolarHBondContact N-O 2.88Å; K21-E35 PolarHBondContact O-N 3.32Å
22V94.1Very high92.3Very high62 Ų6277 Ų7738%0.37645%0.45SS..EExtended strand (participates in β ladder)trans-92.8142.2177.4171.30000110.2I20 Y32I20-V22 PolarHBondContact O-N 2.93Å; V22-Y32 HydrophobicContact CG1-CD1 3.65Å; V22-Y32 HydrophobicContact CG1-CG 3.97Å; V22-Y32 HydrophobicContact CG2-CG 4.38Å
23F91.1Very high92.4Very high86 Ų8681 Ų8138%0.37747%0.468SS..EExtended strand (participates in β ladder)trans-115117176-56.1-87.5000110.1K21 H33 E35K21-F23 HydrophobicContact CD-CE1 4.14Å; K21-F23 HydrophobicContact CD-CZ 3.89Å; K21-F23 HydrophobicContact CG-CE1 4.37Å; K21-F23 HydrophobicContact CG-CE2 4.43Å; K21-F23 HydrophobicContact CG-CZ 4.09Å; F23-H33 PolarHBondContact N-O 3.02Å; F23-E35 HydrophobicContact CE2-CB 3.63Å; F23-E35 HydrophobicContact CZ-CB 4.15Å
24G90.1Very high92.6Very high63 Ų6376.8 Ų76.865%0.64944%0.441SS*.SBendtrans73.4-166.7-178.900000113.3
25D92.9Very high92.7Very high154 Ų15477.9 Ų77.982%0.82445%0.447SS*.  trans-89.9168.2-178-64.8-50.5000112.2
26K92.1Very high92.6Very high105 Ų10574.3 Ų74.346%0.45743%0.426SS..  trans-61.8137.1171.1-163.9179.369.5174.10110.7F31 Y32K26-F31 CarbonylContact C-O 3.6Å; K26-F31 WeakPolarHBondContact CA-O 3.38Å; K26-Y32 HydrophobicContact CB-CD1 3.93Å; K26-Y32 HydrophobicContact CB-CE1 3.53Å; K26-Y32 HydrophobicContact CD-CE2 4.46Å; K26-Y32 HydrophobicContact CG-CD1 4.44Å; K26-Y32 HydrophobicContact CG-CE1 4.22Å; K26-Y32 HydrophobicContact CG-CE2 4.46Å
27D91.6Very high92.3Very high58 Ų5871.6 Ų71.631%0.3142%0.423SS..  trans-75.4-178.8174.568.123.3000113.3D29 G30 F31D27-D29 PolarHBondContact O-N 3.01Å; D27-D29 WeakPolarHBondContact OD1-CA 3.41Å; D27-D29 PolarHBondContact OD1-N 3.44Å; D27-G30 PolarHBondContact O-N 3.25Å; D27-G30 PolarHBondContact OD1-N 3.44Å; D27-F31 PolarHBondContact N-O 3.3Å; D27-F31 PolarHBondContact OD1-N 3.24Å
28S91.6Very high92.2Very high118 Ų11871 Ų7183%0.82542%0.417SS*.THydrogen-bonded Turntrans-63.9-26.217944.60000114
29D88.1Confident92.2Very high128 Ų12872.5 Ų72.568%0.68443%0.426SS*.THydrogen-bonded Turntrans-92.3-8.1-175.5-62.3-62.9000112D27 F31D27-D29 PolarHBondContact O-N 3.01Å; D27-D29 WeakPolarHBondContact OD1-CA 3.41Å; D27-D29 PolarHBondContact OD1-N 3.44Å; D29-F31 HydrophobicContact CB-CD2 3.93Å; D29-F31 HydrophobicContact CB-CE2 4.19Å
30G91.3Very high92.2Very high13 Ų1373.5 Ų73.513%0.13444%0.438CS..SBendtrans95.322.2175.300000113.9D27 S45D27-G30 PolarHBondContact O-N 3.25Å; D27-G30 PolarHBondContact OD1-N 3.44Å; G30-S45 WeakPolarHBondContact O-CB 3.35Å; G30-S45 PolarHBondContact O-N 2.94Å; G30-S45 PolarHBondContact O-OG 2.98Å; G30-S45 VanDerWaalsContact O-OG 3.07Å
31F93.2Very high92.1Very high60 Ų6072.4 Ų72.426%0.26343%0.434SS..EExtended strand (participates in β ladder)trans-108.8149.1177.9-63.1-98.3000111.4K26 D27 D29 Y42 V43 P44K26-F31 CarbonylContact C-O 3.6Å; K26-F31 WeakPolarHBondContact CA-O 3.38Å; D27-F31 PolarHBondContact N-O 3.3Å; D27-F31 PolarHBondContact OD1-N 3.24Å; D29-F31 HydrophobicContact CB-CD2 3.93Å; D29-F31 HydrophobicContact CB-CE2 4.19Å; F31-Y42 HydrophobicContact CB-CD1 4.06Å; F31-V43 WeakPolarHBondContact CA-O 3.16Å; F31-P44 HydrophobicContact CD1-CB 4.02Å; F31-P44 HydrophobicContact CE1-CB 3.8Å
32Y95.1Very high92.2Very high40 Ų4071.3 Ų71.316%0.15743%0.427CS..EExtended strand (participates in β ladder)trans-100.9154.1165.9-62.4-78.1000109.6V22 K26 Y42 V43 V48V22-Y32 HydrophobicContact CG1-CD1 3.65Å; V22-Y32 HydrophobicContact CG1-CG 3.97Å; V22-Y32 HydrophobicContact CG2-CG 4.38Å; K26-Y32 HydrophobicContact CB-CD1 3.93Å; K26-Y32 HydrophobicContact CB-CE1 3.53Å; K26-Y32 HydrophobicContact CD-CE2 4.46Å; K26-Y32 HydrophobicContact CG-CD1 4.44Å; K26-Y32 HydrophobicContact CG-CE1 4.22Å; K26-Y32 HydrophobicContact CG-CE2 4.46Å; Y32-Y42 CarbonylContact O-C 3.47Å; Y32-Y42 WeakPolarHBondContact O-CA 3.45Å; Y32-V43 PolarHBondContact N-O 3.47Å; Y32-V43 PolarHBondContact O-N 2.84Å; Y32-V48 HydrophobicContact CD2-CG2 4.21Å; Y32-V48 HydrophobicContact CE2-CG2 4.17Å
33H95Very high92.2Very high91 Ų9168.4 Ų68.442%0.42141%0.409SS..EExtended strand (participates in β ladder)trans-93.3122164.6-164.1-109.3000109F23F23-H33 PolarHBondContact N-O 3.02Å
34G95.1Very high92.3Very high0 Ų064.8 Ų64.80%040%0.395CS..EExtended strand (participates in β ladder)trans-136.3162.1-173.300000114.3K21 S40 G41K21-G34 CarbonylContact O-C 3.59Å; K21-G34 WeakPolarHBondContact O-CA 3.49Å; G34-S40 VanDerWaalsContact O-CA 3.27Å; G34-S40 WeakPolarHBondContact O-CA 3.14Å; G34-G41 PolarHBondContact N-O 2.99Å; G34-G41 PolarHBondContact O-N 3.26Å
35E94.4Very high92.4Very high80 Ų8063.5 Ų63.537%0.37438%0.376SS..EExtended strand (participates in β ladder)trans-131.1138.2174.5-176.8-170.7111.100110.9K21 F23 L39K21-E35 PolarHBondContact N-O 2.88Å; K21-E35 PolarHBondContact O-N 3.32Å; F23-E35 HydrophobicContact CE2-CB 3.63Å; F23-E35 HydrophobicContact CZ-CB 4.15Å; E35-L39 CarbonylContact C-O 3.57Å; E35-L39 WeakPolarHBondContact CA-O 3.37Å; E35-L39 VanDerWaalsContact CG-O 3.29Å; E35-L39 WeakPolarHBondContact CG-O 3.43Å
36S91.9Very high92.3Very high18 Ų1862.4 Ų62.413%0.12637%0.37CS..EExtended strand (participates in β ladder)trans-155.8139.9170.6-163.60000110.4Q18 I19 G38 L39Q18-S36 PolarHBondContact NE2-OG 3.22Å; I19-S36 PolarHBondContact O-OG 3.24Å; I19-S36 VanDerWaalsContact O-OG 3.06Å; S36-G38 PolarHBondContact O-N 3Å; S36-G38 VanDerWaalsContact O-N 3.16Å; S36-L39 PolarHBondContact N-O 3.03Å; S36-L39 PolarHBondContact O-N 3.31Å
37G87.3Confident92.3Very high80 Ų8062.6 Ų62.683%0.82537%0.373SS*.THydrogen-bonded Turntrans60.525.2177.400000114.9L39G37-L39 VanDerWaalsContact C-N 3.29Å; G37-L39 PolarHBondContact O-N 3.5Å
38G88.4Confident92.4Very high68 Ų6862.1 Ų62.170%0.70137%0.373SS*.THydrogen-bonded Turntrans78.96.8-176.800000114.9S36S36-G38 PolarHBondContact O-N 3Å; S36-G38 VanDerWaalsContact O-N 3.16Å
39L92.4Very high92.5Very high99 Ų9960.8 Ų60.852%0.51837%0.369SS..EExtended strand (participates in β ladder)trans-104.7146.2170.8-62.2176.5000109.6L12 P13 E35 S36 G37L12-L39 VanDerWaalsContact CD1-C 3.48Å; L12-L39 HydrophobicContact CD1-CB 3.68Å; L12-L39 VanDerWaalsContact CD1-O 3.24Å; L12-L39 WeakPolarHBondContact CD1-O 3.31Å; P13-L39 HydrophobicContact CG-CD1 3.96Å; E35-L39 CarbonylContact C-O 3.57Å; E35-L39 WeakPolarHBondContact CA-O 3.37Å; E35-L39 VanDerWaalsContact CG-O 3.29Å; E35-L39 WeakPolarHBondContact CG-O 3.43Å; S36-L39 PolarHBondContact N-O 3.03Å; S36-L39 PolarHBondContact O-N 3.31Å; G37-L39 VanDerWaalsContact C-N 3.29Å; G37-L39 PolarHBondContact O-N 3.5Å
40S92.8Very high92.6Very high72 Ų7262.6 Ų62.650%0.50337%0.373SS..EExtended strand (participates in β ladder)trans-126.4145.7175.2-47.40000109.8G34G34-S40 VanDerWaalsContact O-CA 3.27Å; G34-S40 WeakPolarHBondContact O-CA 3.14Å
41G93.6Very high92.4Very high6 Ų664.9 Ų64.96%0.06239%0.385CS..EExtended strand (participates in β ladder)trans175.7-173.2179.600000112.9E10 G34E10-G41 CarbonylContact O-C 3.57Å; E10-G41 WeakPolarHBondContact O-CA 3.29Å; G34-G41 PolarHBondContact N-O 2.99Å; G34-G41 PolarHBondContact O-N 3.26Å
42Y93.9Very high91.9Very high96 Ų9665.8 Ų65.838%0.37640%0.396SS..EExtended strand (participates in β ladder)trans-76.9138.8178.2-67.7-71.7000112.2E10 E11 L12 F31 Y32E10-Y42 HydrophobicContact CB-CD2 3.88Å; E10-Y42 HydrophobicContact CB-CE2 4.22Å; E10-Y42 PolarHBondContact O-N 3.43Å; E11-Y42 CarbonylContact C-O 3.53Å; E11-Y42 WeakPolarHBondContact CA-O 3.42Å; L12-Y42 PolarHBondContact N-O 3.4Å; F31-Y42 HydrophobicContact CB-CD1 4.06Å; Y32-Y42 CarbonylContact O-C 3.47Å; Y32-Y42 WeakPolarHBondContact O-CA 3.45Å
43V94.1Very high91Very high1 Ų166.9 Ų66.91%0.00641%0.407CS..EExtended strand (participates in β ladder)trans-121116-179.7-177.70000108.1L12 F14 I20 F31 Y32 S45 V48L12-V43 HydrophobicContact CB-CG2 4.06Å; L12-V43 HydrophobicContact CD2-CG2 3.91Å; F14-V43 HydrophobicContact CE1-CG1 4.02Å; F14-V43 HydrophobicContact CZ-CG1 4.31Å; I20-V43 HydrophobicContact CD1-CG1 4.09Å; I20-V43 HydrophobicContact CD1-CG2 4.49Å; I20-V43 HydrophobicContact CG2-CG2 4Å; F31-V43 WeakPolarHBondContact CA-O 3.16Å; Y32-V43 PolarHBondContact N-O 3.47Å; Y32-V43 PolarHBondContact O-N 2.84Å; V43-S45 PolarHBondContact O-N 2.85Å; V43-V48 HydrophobicContact CG1-CB 4.47Å; V43-V48 HydrophobicContact CG1-CG1 3.56Å; V43-V48 HydrophobicContact CG1-CG2 4.09Å
44P92.8Very high90.3Very high11 Ų1169.4 Ų69.47%0.07142%0.424CS..EExtended strand (participates in β ladder)trans-72.2124.8-177.430.3-35000110.4F14 F31 N46 M47F14-P44 HydrophobicContact CZ-CG 4.26Å; F31-P44 HydrophobicContact CD1-CB 4.02Å; F31-P44 HydrophobicContact CE1-CB 3.8Å; P44-N46 WeakPolarHBondContact CB-OD1 3.39Å; P44-N46 PolarHBondContact O-N 2.93Å; P44-M47 HydrophobicContact CG-CB 4.16Å; P44-M47 HydrophobicContact CG-CE 4.4Å; P44-M47 HydrophobicContact CG-CG 3.91Å; P44-M47 HydrophobicContact CG-SD 3.86Å; P44-M47 PolarHBondContact O-N 3.35Å; P44-M47 VanDerWaalsContact O-N 3.08Å
45S92.5Very high89.8Confident36 Ų3673.4 Ų73.425%0.25245%0.445SS..THydrogen-bonded Turntrans-63.3-20.2-171.874.80000114.1G30 V43 M47G30-S45 WeakPolarHBondContact O-CB 3.35Å; G30-S45 PolarHBondContact O-N 2.94Å; G30-S45 PolarHBondContact O-OG 2.98Å; G30-S45 VanDerWaalsContact O-OG 3.07Å; V43-S45 PolarHBondContact O-N 2.85Å; S45-M47 VanDerWaalsContact C-N 3.31Å
46N92.1Very high89.4Confident131 Ų13174.5 Ų74.570%0.70145%0.45SS*.THydrogen-bonded Turntrans-78.9-10.8179.764.9-14.1000113.8P44P44-N46 WeakPolarHBondContact CB-OD1 3.39Å; P44-N46 PolarHBondContact O-N 2.93Å
47M91.8Very high89.2Confident108 Ų10882 Ų8253%0.53248%0.477SS..SBendtrans-105.5-2.4179.2-60.2-167.2-174.700113.3F14 P44 S45F14-M47 HydrophobicContact CE2-CB 4.05Å; F14-M47 HydrophobicContact CZ-CB 3.95Å; F14-M47 HydrophobicContact CZ-SD 4.37Å; P44-M47 HydrophobicContact CG-CB 4.16Å; P44-M47 HydrophobicContact CG-CE 4.4Å; P44-M47 HydrophobicContact CG-CG 3.91Å; P44-M47 HydrophobicContact CG-SD 3.86Å; P44-M47 PolarHBondContact O-N 3.35Å; P44-M47 VanDerWaalsContact O-N 3.08Å; S45-M47 VanDerWaalsContact C-N 3.31Å
48V93Very high89.1Confident49 Ų4981.1 Ų81.130%0.29745%0.453SS..  trans-128161.1-176.4-63.20000110.9F14 I20 Y32 V43F14-V48 HydrophobicContact CE2-CG1 4.21Å; F14-V48 HydrophobicContact CZ-CG1 4.25Å; I20-V48 HydrophobicContact CD1-CG1 4.21Å; Y32-V48 HydrophobicContact CD2-CG2 4.21Å; Y32-V48 HydrophobicContact CE2-CG2 4.17Å; V43-V48 HydrophobicContact CG1-CB 4.47Å; V43-V48 HydrophobicContact CG1-CG1 3.56Å; V43-V48 HydrophobicContact CG1-CG2 4.09Å
49A93.3Very high89.1Confident90 Ų9081 Ų8174%0.74443%0.433SS*.  trans-132.5144.9171.900000108.6
50E90.4Very high88.8Confident166 Ų16681.3 Ų81.378%0.77643%0.432SS*.  trans-64.2138.3171.9-70.8177.2-149.900109.9P52E50-P52 WeakPolarHBondContact O-CD 3.27Å
51V87.5Confident88.6Confident61 Ų6179.8 Ų79.837%0.3742%0.419SS..  trans-89.1115.8178.2-177.90000107.8I19 V53 L58 L62I19-V51 HydrophobicContact CD1-CG2 4.36Å; V51-V53 PolarHBondContact O-N 2.85Å; V51-L58 HydrophobicContact CG1-CD2 3.36Å; V51-L58 HydrophobicContact CG1-CG 4.43Å; V51-L62 HydrophobicContact CG1-CD1 3.86Å
52P81.8Confident88.4Confident78 Ų7880.2 Ų80.251%0.50642%0.42SS..  trans-69.7107-178.627.8-32.8000109.3E50 D54E50-P52 WeakPolarHBondContact O-CD 3.27Å; P52-D54 PolarHBondContact O-N 3.35Å
53V76.3Confident88.1Confident63 Ų6377.8 Ų77.838%0.38241%0.413SS..THydrogen-bonded Turntrans-81.80.9177.4-66.20000113.1V51 D55 L62 L68V51-V53 PolarHBondContact O-N 2.85Å; V53-D55 PolarHBondContact O-N 2.85Å; V53-L62 HydrophobicContact CG1-CD1 4.29Å; V53-L68 HydrophobicContact CG1-CD1 4.02Å
54D80.7Confident87.8Confident145 Ų14586 Ų8678%0.77545%0.451SS*.THydrogen-bonded Turntrans-68.8-23.6175.4-38.6-27.1000111.4P52 E56P52-D54 PolarHBondContact O-N 3.35Å; D54-E56 PolarHBondContact O-N 2.95Å
55D85.5Confident87.5Confident83 Ų8391.2 Ų91.244%0.44447%0.474SS..SBendtrans-77108.1170.6-173.1-57.1000109.1V53 Y57 L58 K59V53-D55 PolarHBondContact O-N 2.85Å; D55-Y57 PolarHBondContact O-N 2.88Å; D55-Y57 WeakPolarHBondContact OD1-CA 3.24Å; D55-Y57 VanDerWaalsContact OD1-CB 3.25Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.41Å; D55-Y57 PolarHBondContact OD1-N 2.87Å; D55-L58 HydrophobicContact CB-CB 3.94Å; D55-L58 PolarHBondContact O-N 2.85Å; D55-L58 VanDerWaalsContact O-N 3.14Å; D55-L58 PolarHBondContact OD1-N 2.77Å; D55-K59 WeakPolarHBondContact O-CB 3.21Å; D55-K59 PolarHBondContact O-N 3.38Å
56E85.1Confident87.1Confident104 Ų10492.4 Ų92.449%0.48649%0.493SS..Hα-helixtrans-58.4-33.5-178.9-77.7-71.8120.700112.5D54 K59 H60D54-E56 PolarHBondContact O-N 2.95Å; E56-K59 WeakPolarHBondContact OE1-CD 3.37Å; E56-K59 IonicContact OE1-NZ 2.9Å; E56-K59 PolarHBondContact OE1-NZ 3.07Å; E56-H60 WeakPolarHBondContact O-CB 3.36Å; E56-H60 PolarHBondContact O-N 3.04Å; E56-H60 PolarHBondContact O-ND1 3.05Å; E56-H60 IonicContact OE2-CE1 3.6Å
57Y87.3Confident86.9Confident174 Ų17490.3 Ų90.368%0.68248%0.478SS*.Hα-helixtrans-66.7-47.7176.2170.1-97.6000110.8D55 K59 H60 V61D55-Y57 PolarHBondContact O-N 2.88Å; D55-Y57 WeakPolarHBondContact OD1-CA 3.24Å; D55-Y57 VanDerWaalsContact OD1-CB 3.25Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.41Å; D55-Y57 PolarHBondContact OD1-N 2.87Å; Y57-K59 VanDerWaalsContact C-N 3.33Å; Y57-K59 PolarHBondContact O-N 3.05Å; Y57-H60 PolarHBondContact O-N 3.08Å; Y57-V61 HydrophobicContact CD1-CG2 4.49Å; Y57-V61 HydrophobicContact CE1-CG2 4.06Å; Y57-V61 HydrophobicContact CE2-CG2 4.18Å; Y57-V61 WeakPolarHBondContact O-CG2 3.44Å; Y57-V61 PolarHBondContact O-N 2.99Å
58L86.6Confident86.6Confident62 Ų6287.6 Ų87.633%0.32547%0.465SS..Hα-helixtrans-62.8-42.4-180-147.281.2000111.5V51 D55 V61 L62V51-L58 HydrophobicContact CG1-CD2 3.36Å; V51-L58 HydrophobicContact CG1-CG 4.43Å; D55-L58 HydrophobicContact CB-CB 3.94Å; D55-L58 PolarHBondContact O-N 2.85Å; D55-L58 VanDerWaalsContact O-N 3.14Å; D55-L58 PolarHBondContact OD1-N 2.77Å; L58-V61 PolarHBondContact O-N 3.06Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.06Å; L58-L62 PolarHBondContact O-N 2.95Å
59K86.8Confident86Confident65 Ų6590.1 Ų90.128%0.28348%0.482SS..Hα-helixtrans-58.5-46.8174-180-177.1171.9-171.60112D55 E56 Y57 V61 L62 M63 L68D55-K59 WeakPolarHBondContact O-CB 3.21Å; D55-K59 PolarHBondContact O-N 3.38Å; E56-K59 WeakPolarHBondContact OE1-CD 3.37Å; E56-K59 IonicContact OE1-NZ 2.9Å; E56-K59 PolarHBondContact OE1-NZ 3.07Å; Y57-K59 VanDerWaalsContact C-N 3.33Å; Y57-K59 PolarHBondContact O-N 3.05Å; K59-V61 VanDerWaalsContact C-N 3.33Å; K59-V61 PolarHBondContact O-N 3.49Å; K59-L62 PolarHBondContact O-N 3.16Å; K59-M63 HydrophobicContact CD-CE 4.28Å; K59-M63 HydrophobicContact CG-CE 3.83Å; K59-M63 HydrophobicContact CG-SD 4.31Å; K59-M63 VanDerWaalsContact O-CG 3.31Å; K59-M63 WeakPolarHBondContact O-CG 3.2Å; K59-M63 PolarHBondContact O-N 2.84Å; K59-L68 HydrophobicContact CG-CD1 4.12Å
60H87.4Confident85.2Confident106 Ų10689.6 Ų89.649%0.49147%0.47SS..Hα-helixtrans-60.8-41.7176.3-81.782.3000111.9E56 Y57 M63 Q64E56-H60 WeakPolarHBondContact O-CB 3.36Å; E56-H60 PolarHBondContact O-N 3.04Å; E56-H60 PolarHBondContact O-ND1 3.05Å; E56-H60 IonicContact OE2-CE1 3.6Å; Y57-H60 PolarHBondContact O-N 3.08Å; H60-M63 PolarHBondContact O-N 2.82Å; H60-Q64 WeakPolarHBondContact O-CG 3.42Å; H60-Q64 PolarHBondContact O-N 3.35Å
61V88.3Confident84.1Confident41 Ų4188.9 Ų88.925%0.24847%0.471CS..Hα-helixtrans-61.9-47176.5171.60000111Y57 L58 K59 M63 Q64 Q65Y57-V61 HydrophobicContact CD1-CG2 4.49Å; Y57-V61 HydrophobicContact CE1-CG2 4.06Å; Y57-V61 HydrophobicContact CE2-CG2 4.18Å; Y57-V61 WeakPolarHBondContact O-CG2 3.44Å; Y57-V61 PolarHBondContact O-N 2.99Å; L58-V61 PolarHBondContact O-N 3.06Å; K59-V61 VanDerWaalsContact C-N 3.33Å; K59-V61 PolarHBondContact O-N 3.49Å; V61-M63 VanDerWaalsContact C-N 3.33Å; V61-M63 PolarHBondContact O-N 3.12Å; V61-Q64 PolarHBondContact O-N 2.86Å; V61-Q65 WeakPolarHBondContact O-CG 3.23Å; V61-Q65 PolarHBondContact O-N 3.35Å
62L88.7Confident82.5Confident14 Ų1493.9 Ų93.97%0.07349%0.49CS..Hα-helixtrans-65.2-35.2179.4-68.3170.7000112.5I19 V51 V53 L58 K59 Q65 G66 F67 L68I19-L62 HydrophobicContact CD1-CD2 4.41Å; I19-L62 HydrophobicContact CG1-CD2 4.28Å; I19-L62 HydrophobicContact CG2-CD2 4.42Å; V51-L62 HydrophobicContact CG1-CD1 3.86Å; V53-L62 HydrophobicContact CG1-CD1 4.29Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.06Å; L58-L62 PolarHBondContact O-N 2.95Å; K59-L62 PolarHBondContact O-N 3.16Å; L62-Q65 PolarHBondContact O-N 2.61Å; L62-G66 PolarHBondContact O-N 3.08Å; L62-F67 HydrophobicContact CB-CB 4.3Å; L62-F67 HydrophobicContact CD2-CB 4.13Å; L62-F67 HydrophobicContact CD2-CD2 3.97Å; L62-F67 HydrophobicContact CD2-CG 4.37Å; L62-F67 PolarHBondContact O-N 2.93Å; L62-L68 HydrophobicContact CB-CD1 3.72Å; L62-L68 HydrophobicContact CB-CG 3.84Å; L62-L68 HydrophobicContact CD1-CD1 4.09Å; L62-L68 HydrophobicContact CD1-CG 4.5Å; L62-L68 PolarHBondContact O-N 3.32Å
63M88.5Confident80.7Confident46 Ų4698.3 Ų98.323%0.22753%0.533CS..Hα-helixtrans-64.7-46.4172.3-73.8175.9173.600111.8K59 H60 V61 Q65 G66 L68 V70K59-M63 HydrophobicContact CD-CE 4.28Å; K59-M63 HydrophobicContact CG-CE 3.83Å; K59-M63 HydrophobicContact CG-SD 4.31Å; K59-M63 VanDerWaalsContact O-CG 3.31Å; K59-M63 WeakPolarHBondContact O-CG 3.2Å; K59-M63 PolarHBondContact O-N 2.84Å; H60-M63 PolarHBondContact O-N 2.82Å; V61-M63 VanDerWaalsContact C-N 3.33Å; V61-M63 PolarHBondContact O-N 3.12Å; M63-Q65 PolarHBondContact O-N 3.12Å; M63-G66 PolarHBondContact O-N 3.4Å; M63-L68 HydrophobicContact CG-CB 3.81Å; M63-L68 HydrophobicContact CG-CD1 4.39Å; M63-V70 HydrophobicContact CB-CG1 4.32Å
64Q87.5Confident81Confident174 Ų174100.1 Ų100.181%0.81354%0.541SS*.Hα-helixtrans-62.7-31.6178.3-75.4-171.4-28.400112.9H60 V61 G66H60-Q64 WeakPolarHBondContact O-CG 3.42Å; H60-Q64 PolarHBondContact O-N 3.35Å; V61-Q64 PolarHBondContact O-N 2.86Å; Q64-G66 VanDerWaalsContact C-N 3.28Å
65Q85.7Confident81Confident119 Ų11997.7 Ų97.756%0.55653%0.528SS*.THydrogen-bonded Turntrans-82.7-4.4176.1-69-176.7-27.600113.4V61 L62 M63 F67V61-Q65 WeakPolarHBondContact O-CG 3.23Å; V61-Q65 PolarHBondContact O-N 3.35Å; L62-Q65 PolarHBondContact O-N 2.61Å; M63-Q65 PolarHBondContact O-N 3.12Å; Q65-F67 VanDerWaalsContact C-N 3.32Å; Q65-F67 HydrophobicContact CB-CD2 3.5Å; Q65-F67 HydrophobicContact CB-CE2 3.67Å; Q65-F67 HydrophobicContact CG-CE2 4.46Å
66G86.1Confident80.7Confident62 Ų6298.5 Ų98.564%0.63953%0.533SS*.THydrogen-bonded Turntrans76.514.8179.500000114.5L62 M63 Q64L62-G66 PolarHBondContact O-N 3.08Å; M63-G66 PolarHBondContact O-N 3.4Å; Q64-G66 VanDerWaalsContact C-N 3.28Å
67F86.7Confident80.5Confident87 Ų8798.2 Ų98.238%0.38254%0.536SS..SBendtrans-79.1-28.7175.2-68.9-62000112.5I19 L62 Q65I19-F67 HydrophobicContact CB-CD1 4.06Å; I19-F67 HydrophobicContact CB-CD2 4.26Å; I19-F67 HydrophobicContact CB-CE1 3.82Å; I19-F67 HydrophobicContact CB-CE2 4.04Å; I19-F67 HydrophobicContact CB-CG 4.28Å; I19-F67 HydrophobicContact CB-CZ 3.82Å; I19-F67 HydrophobicContact CG1-CD2 4.32Å; I19-F67 HydrophobicContact CG1-CE2 4.07Å; I19-F67 HydrophobicContact CG1-CZ 4.29Å; I19-F67 HydrophobicContact CG2-CB 4.28Å; I19-F67 HydrophobicContact CG2-CD1 3.65Å; I19-F67 HydrophobicContact CG2-CD2 4.15Å; I19-F67 HydrophobicContact CG2-CE1 3.96Å; I19-F67 HydrophobicContact CG2-CE2 4.41Å; I19-F67 HydrophobicContact CG2-CG 3.77Å; I19-F67 HydrophobicContact CG2-CZ 4.33Å; L62-F67 HydrophobicContact CB-CB 4.3Å; L62-F67 HydrophobicContact CD2-CB 4.13Å; L62-F67 HydrophobicContact CD2-CD2 3.97Å; L62-F67 HydrophobicContact CD2-CG 4.37Å; L62-F67 PolarHBondContact O-N 2.93Å; Q65-F67 VanDerWaalsContact C-N 3.32Å; Q65-F67 HydrophobicContact CB-CD2 3.5Å; Q65-F67 HydrophobicContact CB-CE2 3.67Å; Q65-F67 HydrophobicContact CG-CE2 4.46Å
68L85.7Confident80Confident50 Ų5093.4 Ų93.426%0.26253%0.527SS..SBendtrans-111.3145172.5-64.9177.1000110V53 K59 L62 M63 V70V53-L68 HydrophobicContact CG1-CD1 4.02Å; K59-L68 HydrophobicContact CG-CD1 4.12Å; L62-L68 HydrophobicContact CB-CD1 3.72Å; L62-L68 HydrophobicContact CB-CG 3.84Å; L62-L68 HydrophobicContact CD1-CD1 4.09Å; L62-L68 HydrophobicContact CD1-CG 4.5Å; L62-L68 PolarHBondContact O-N 3.32Å; M63-L68 HydrophobicContact CG-CB 3.81Å; M63-L68 HydrophobicContact CG-CD1 4.39Å; L68-V70 PolarHBondContact O-N 3.19Å
69P80.9Confident79.6Confident102 Ų10295.5 Ų95.566%0.66254%0.54SS*.  trans-60.8135.2170.227.2-32.5000109.3D71P69-D71 PolarHBondContact O-N 3.33Å
70V75.4Confident79.1Confident79 Ų7997.7 Ų97.748%0.47956%0.558SS.*  trans-74.4112.8161-82.10000106.3M63 L68 H72M63-V70 HydrophobicContact CB-CG1 4.32Å; L68-V70 PolarHBondContact O-N 3.19Å; V70-H72 VanDerWaalsContact C-N 3.3Å; V70-H72 WeakPolarHBondContact CG2-NE2 3.34Å; V70-H72 PolarHBondContact O-N 3.37Å
71D66.7Low78.4Confident151 Ų15197.1 Ų97.181%0.80756%0.564SS**  trans-58.498.8170.4-91.3-46.2000108P69 A73P69-D71 PolarHBondContact O-N 3.33Å; D71-A73 PolarHBondContact O-N 3.23Å
72H55.7Low77.6Confident167 Ų167101.8 Ų101.877%0.77359%0.59SS**  trans-84.291.9162-70.5-65.5000106V70V70-H72 VanDerWaalsContact C-N 3.3Å; V70-H72 WeakPolarHBondContact CG2-NE2 3.34Å; V70-H72 PolarHBondContact O-N 3.37Å
73A43.8Very low76.6Confident170 Ų170109.7 Ų109.7100%1.40564%0.637SS**  trans-56.50164.700000111.4D71D71-A73 PolarHBondContact O-N 3.23Å

Retrieved 73 of 73 residues in 146.7 ms (Link to these results)