A0A2K6BUM6_MACNE Loading...

A-kinase anchor inhibitor 1

AlphaFold DB , UniProt , Accession A0A2K6BUM6, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene AKAIN1, Length 69 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
1M52.7Low59.2Low221 Ų221120.5 Ų120.5100%1.08969%0.691SS**  0110.30-148.1160.7-177.600106
2V51.5Low61.2Low146 Ų146120.5 Ų120.589%0.88568%0.68SS**  trans-103.4111.4-175.3-168.80000106.2
3F56.2Low62.7Low147 Ų147117.8 Ų117.865%0.64567%0.671SS**  trans-76129.6174.4-78.9-85.8000108.9
4A62.1Low64.4Low55 Ų55120.9 Ų120.946%0.45568%0.677SS.*  trans-70.3138.6177.100000109.6G6 E7A4-G6 VanDerWaalsContact C-N 3.34Å; A4-G6 PolarHBondContact O-N 3.49Å; A4-E7 PolarHBondContact N-OE2 3.41Å; A4-E7 PolarHBondContact O-N 3.4Å
5P48.7Very low66Low142 Ų142117.8 Ų117.892%0.92266%0.655SS**THydrogen-bonded Turntrans-68.892.8177.127.1-30.3000109.1
6G60.8Low67.4Low75 Ų75113.8 Ų113.877%0.77363%0.634SS**THydrogen-bonded Turntrans151.5-20.6-176.700000114.6A4 K8A4-G6 VanDerWaalsContact C-N 3.34Å; A4-G6 PolarHBondContact O-N 3.49Å; G6-K8 PolarHBondContact O-N 2.85Å
7E57.8Low68.8Low114 Ų114115.9 Ų115.953%0.53364%0.635SS.*  trans-72.3115.1170.4-74.1176.2129.800108.9A4 P9A4-E7 PolarHBondContact N-OE2 3.41Å; A4-E7 PolarHBondContact O-N 3.4Å; E7-P9 WeakPolarHBondContact O-CD 3.33Å
8K65.6Low70.2Confident169 Ų169116.4 Ų116.474%0.73564%0.636SS**  trans-66.8114.8170.1-71179-177.3170.60107.1G6 G10G6-K8 PolarHBondContact O-N 2.85Å; K8-G10 PolarHBondContact O-N 2.86Å
9P64.1Low71.4Confident114 Ų114114.6 Ų114.674%0.7462%0.623SS**THydrogen-bonded Turntrans-59.3126.8170.925.9-31.3000107.1E7E7-P9 WeakPolarHBondContact O-CD 3.33Å
10G63.7Low72.6Confident13 Ų13112.8 Ų112.813%0.13461%0.612CS.*THydrogen-bonded Turntrans117.6-4.9179.700000117.8K8 E15 V16K8-G10 PolarHBondContact O-N 2.86Å; G10-E15 WeakPolarHBondContact CA-OE2 3.37Å; G10-E15 PolarHBondContact N-OE1 3.08Å; G10-E15 PolarHBondContact N-OE2 2.88Å; G10-V16 WeakPolarHBondContact O-CG2 3.48Å
11N67.6Low73.8Confident129 Ų129109.5 Ų109.569%0.6960%0.601SS**  trans-102.5-3.2-178.8-110.329.7000114.7
12E83.3Confident75.9Confident121 Ų121102.1 Ų102.157%0.56557%0.571SS**SBendtrans-67.3135.4174.7-69-5710500110E14 E15 V16E12-E14 PolarHBondContact O-N 3.04Å; E12-E15 HydrophobicContact CB-CB 4.31Å; E12-E15 PolarHBondContact O-N 3.37Å; E12-V16 PolarHBondContact O-N 3.4Å; E12-V16 VanDerWaalsContact O-N 3.07Å
13P81.1Confident78.1Confident86 Ų86100.9 Ų100.956%0.55855%0.554SS**Hα-helixtrans-54.8-30.3-176.8-26.433000113.9K17P13-K17 VanDerWaalsContact O-CG 3.29Å; P13-K17 WeakPolarHBondContact O-CG 3.35Å; P13-K17 PolarHBondContact O-N 3.33Å
14E87Confident80.1Confident161 Ų16199.7 Ų99.775%0.75255%0.55SS**Hα-helixtrans-72-43.6176.3-174.3174.2-176.300112.3E12 V16 K17 L18E12-E14 PolarHBondContact O-N 3.04Å; E14-V16 VanDerWaalsContact C-N 3.34Å; E14-V16 PolarHBondContact O-N 2.93Å; E14-K17 WeakPolarHBondContact O-CB 3.4Å; E14-K17 PolarHBondContact O-N 3.11Å; E14-L18 PolarHBondContact O-N 3.4Å
15E87.6Confident81.8Confident74 Ų74102.6 Ų102.635%0.34656%0.557SS.*Hα-helixtrans-66.1-38.7179.5-165.3174.1173.900111.3G10 E12 K17 L18 Q19G10-E15 WeakPolarHBondContact CA-OE2 3.37Å; G10-E15 PolarHBondContact N-OE1 3.08Å; G10-E15 PolarHBondContact N-OE2 2.88Å; E12-E15 HydrophobicContact CB-CB 4.31Å; E12-E15 PolarHBondContact O-N 3.37Å; E15-K17 PolarHBondContact O-N 3.39Å; E15-L18 PolarHBondContact O-N 3.49Å; E15-Q19 VanDerWaalsContact O-CG 3.32Å; E15-Q19 WeakPolarHBondContact O-CG 3.32Å; E15-Q19 PolarHBondContact O-N 3.42Å
16V88.6Confident84.2Confident53 Ų5399.6 Ų99.632%0.32154%0.536SS..Hα-helixtrans-62.7-41.5174.4176.10000111.6G10 E12 E14 Q19 N20G10-V16 WeakPolarHBondContact O-CG2 3.48Å; E12-V16 PolarHBondContact O-N 3.4Å; E12-V16 VanDerWaalsContact O-N 3.07Å; E14-V16 VanDerWaalsContact C-N 3.34Å; E14-V16 PolarHBondContact O-N 2.93Å; V16-Q19 PolarHBondContact O-N 2.84Å; V16-N20 WeakPolarHBondContact O-CB 3.4Å; V16-N20 VanDerWaalsContact O-CG 3.25Å; V16-N20 PolarHBondContact O-N 2.97Å; V16-N20 PolarHBondContact O-ND2 2.87Å
17K92.3Very high86Confident151 Ų151102.2 Ų102.266%0.65753%0.528SS*.Hα-helixtrans-62.2-44175.1-74.5171-175.5177.50111.3P13 E14 E15 N20 A21P13-K17 VanDerWaalsContact O-CG 3.29Å; P13-K17 WeakPolarHBondContact O-CG 3.35Å; P13-K17 PolarHBondContact O-N 3.33Å; E14-K17 WeakPolarHBondContact O-CB 3.4Å; E14-K17 PolarHBondContact O-N 3.11Å; E15-K17 PolarHBondContact O-N 3.39Å; K17-N20 PolarHBondContact O-N 3.41Å; K17-A21 WeakPolarHBondContact O-CB 3.44Å; K17-A21 PolarHBondContact O-N 3.48Å
18L93.6Very high87.9Confident125 Ų125100.7 Ų100.765%0.65452%0.523SS*.Hα-helixtrans-62.8-44.1178.1-175.964000111.5E14 E15 N20 A21 S22E14-L18 PolarHBondContact O-N 3.4Å; E15-L18 PolarHBondContact O-N 3.49Å; L18-N20 VanDerWaalsContact C-N 3.34Å; L18-N20 PolarHBondContact O-N 3.34Å; L18-A21 PolarHBondContact O-N 3.46Å; L18-S22 WeakPolarHBondContact O-CB 3.42Å; L18-S22 PolarHBondContact O-N 2.99Å
19Q93.3Very high89.5Confident82 Ų8295.3 Ų95.338%0.38351%0.511SS..Hα-helixtrans-61.8-41.8175.8-72.4-17910.300112E15 V16 S22 K23E15-Q19 VanDerWaalsContact O-CG 3.32Å; E15-Q19 WeakPolarHBondContact O-CG 3.32Å; E15-Q19 PolarHBondContact O-N 3.42Å; V16-Q19 PolarHBondContact O-N 2.84Å; Q19-S22 WeakPolarHBondContact O-CB 3.46Å; Q19-S22 PolarHBondContact O-N 2.93Å; Q19-K23 WeakPolarHBondContact O-CG 3.07Å; Q19-K23 PolarHBondContact O-N 3.25Å
20N95.6Very high91Very high77 Ų7794.7 Ų94.741%0.41250%0.5SS..Hα-helixtrans-64.8-42.8176.7-73.3-22.6000111.9V16 K17 L18 K23 Q24V16-N20 WeakPolarHBondContact O-CB 3.4Å; V16-N20 VanDerWaalsContact O-CG 3.25Å; V16-N20 PolarHBondContact O-N 2.97Å; V16-N20 PolarHBondContact O-ND2 2.87Å; K17-N20 PolarHBondContact O-N 3.41Å; L18-N20 VanDerWaalsContact C-N 3.34Å; L18-N20 PolarHBondContact O-N 3.34Å; N20-K23 PolarHBondContact O-N 3.35Å; N20-Q24 WeakPolarHBondContact O-CG 3.23Å; N20-Q24 PolarHBondContact O-N 3.49Å; N20-Q24 VanDerWaalsContact O-N 3.08Å
21A97.1Very high92.7Very high45 Ų4598.5 Ų98.537%0.37252%0.517SS..Hα-helixtrans-61.8-44.2174.400000111.6K17 L18 K23 Q24 I25K17-A21 WeakPolarHBondContact O-CB 3.44Å; K17-A21 PolarHBondContact O-N 3.48Å; L18-A21 PolarHBondContact O-N 3.46Å; A21-K23 PolarHBondContact O-N 3.43Å; A21-Q24 PolarHBondContact O-N 3.18Å; A21-Q24 VanDerWaalsContact O-N 3.16Å; A21-I25 WeakPolarHBondContact O-CG1 3.34Å; A21-I25 PolarHBondContact O-N 3.38Å
22S97.3Very high94Very high66 Ų66100.8 Ų100.846%0.46252%0.516SS..Hα-helixtrans-56.8-47.9175.7-179.50000111.9L18 Q19 Q24 I25 V26L18-S22 WeakPolarHBondContact O-CB 3.42Å; L18-S22 PolarHBondContact O-N 2.99Å; Q19-S22 WeakPolarHBondContact O-CB 3.46Å; Q19-S22 PolarHBondContact O-N 2.93Å; S22-Q24 VanDerWaalsContact C-N 3.33Å; S22-Q24 PolarHBondContact O-N 2.92Å; S22-I25 PolarHBondContact O-N 2.93Å; S22-V26 WeakPolarHBondContact O-CG2 3.44Å; S22-V26 PolarHBondContact O-N 3.28Å
23K97.8Very high94.6Very high120 Ų12097.3 Ų97.352%0.52251%0.507SS..Hα-helixtrans-57.9-43.6175.3-72.1172.7-174.2173.30112.1Q19 N20 A21 V26 Q27Q19-K23 WeakPolarHBondContact O-CG 3.07Å; Q19-K23 PolarHBondContact O-N 3.25Å; N20-K23 PolarHBondContact O-N 3.35Å; A21-K23 PolarHBondContact O-N 3.43Å; K23-V26 PolarHBondContact O-N 3.34Å; K23-Q27 WeakPolarHBondContact O-CG 3.25Å; K23-Q27 PolarHBondContact O-N 3.29Å
24Q98.1Very high95.4Very high121 Ų12197.4 Ų97.457%0.56551%0.506SS*.Hα-helixtrans-65.2-40178.7-73.4-169.443.800112.6N20 A21 S22 Q27 N28N20-Q24 WeakPolarHBondContact O-CG 3.23Å; N20-Q24 PolarHBondContact O-N 3.49Å; N20-Q24 VanDerWaalsContact O-N 3.08Å; A21-Q24 PolarHBondContact O-N 3.18Å; A21-Q24 VanDerWaalsContact O-N 3.16Å; S22-Q24 VanDerWaalsContact C-N 3.33Å; S22-Q24 PolarHBondContact O-N 2.92Å; Q24-Q27 PolarHBondContact O-N 3.13Å; Q24-N28 WeakPolarHBondContact O-CB 3.43Å; Q24-N28 PolarHBondContact O-N 3.19Å; Q24-N28 PolarHBondContact O-ND2 3.42Å
25I98.1Very high95.6Very high117 Ų11794.4 Ų94.460%0.649%0.492SS*.Hα-helixtrans-61.4-47.6177.3-69163.7000110.1A21 S22 N28 A29A21-I25 WeakPolarHBondContact O-CG1 3.34Å; A21-I25 PolarHBondContact O-N 3.38Å; S22-I25 PolarHBondContact O-N 2.93Å; I25-N28 PolarHBondContact O-N 3.26Å; I25-A29 WeakPolarHBondContact O-CB 3.33Å; I25-A29 PolarHBondContact O-N 3.38Å
26V98.6Very high95.8Very high79 Ų7996.7 Ų96.748%0.47950%0.503SS..Hα-helixtrans-61.5-47.8179173.30000111S22 K23 N28 A29 I30S22-V26 WeakPolarHBondContact O-CG2 3.44Å; S22-V26 PolarHBondContact O-N 3.28Å; K23-V26 PolarHBondContact O-N 3.34Å; V26-N28 VanDerWaalsContact C-N 3.35Å; V26-N28 PolarHBondContact O-N 3.01Å; V26-A29 PolarHBondContact O-N 3.44Å; V26-I30 HydrophobicContact CG1-CD1 3.82Å; V26-I30 HydrophobicContact CG1-CG1 4.49Å; V26-I30 WeakPolarHBondContact O-CG1 3.34Å; V26-I30 PolarHBondContact O-N 2.9Å
27Q98.3Very high95.8Very high130 Ų13098.5 Ų98.561%0.60751%0.514SS*.Hα-helixtrans-60-44.4178.2-73.7177.613.800112.1K23 Q24 A29 I30 L31K23-Q27 WeakPolarHBondContact O-CG 3.25Å; K23-Q27 PolarHBondContact O-N 3.29Å; Q24-Q27 PolarHBondContact O-N 3.13Å; Q27-A29 PolarHBondContact O-N 3.38Å; Q27-I30 PolarHBondContact O-N 2.91Å; Q27-L31 WeakPolarHBondContact O-CB 3.4Å; Q27-L31 PolarHBondContact O-N 3.36Å
28N98.1Very high95.4Very high82 Ų8294.2 Ų94.244%0.43950%0.503SS..Hα-helixtrans-64.3-39.4177.2-80-29.7000112.3Q24 I25 V26 L31 R32Q24-N28 WeakPolarHBondContact O-CB 3.43Å; Q24-N28 PolarHBondContact O-N 3.19Å; Q24-N28 PolarHBondContact O-ND2 3.42Å; I25-N28 PolarHBondContact O-N 3.26Å; V26-N28 VanDerWaalsContact C-N 3.35Å; V26-N28 PolarHBondContact O-N 3.01Å; N28-L31 PolarHBondContact O-N 3Å; N28-R32 WeakPolarHBondContact O-CB 3.3Å; N28-R32 VanDerWaalsContact O-CG 3.27Å; N28-R32 WeakPolarHBondContact O-CG 3.46Å; N28-R32 PolarHBondContact O-N 3.4Å
29A97.7Very high94.6Very high56 Ų5693.2 Ų93.246%0.46350%0.495SS..Hα-helixtrans-63.1-44.117600000111.5I25 V26 Q27 R32 A33I25-A29 WeakPolarHBondContact O-CB 3.33Å; I25-A29 PolarHBondContact O-N 3.38Å; V26-A29 PolarHBondContact O-N 3.44Å; Q27-A29 PolarHBondContact O-N 3.38Å; A29-R32 PolarHBondContact O-N 3.47Å; A29-A33 WeakPolarHBondContact O-CB 3.31Å; A29-A33 PolarHBondContact O-N 3.29Å
30I97.6Very high93.7Very high101 Ų10194.9 Ų94.952%0.51850%0.503SS..Hα-helixtrans-62.3-47.6176.2-67.2167.4000110.6V26 Q27 R32 A33 V34V26-I30 HydrophobicContact CG1-CD1 3.82Å; V26-I30 HydrophobicContact CG1-CG1 4.49Å; V26-I30 WeakPolarHBondContact O-CG1 3.34Å; V26-I30 PolarHBondContact O-N 2.9Å; Q27-I30 PolarHBondContact O-N 2.91Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 2.79Å; I30-A33 PolarHBondContact O-N 3.4Å; I30-A33 VanDerWaalsContact O-N 3.16Å; I30-V34 HydrophobicContact CG2-CG2 4.33Å; I30-V34 WeakPolarHBondContact O-CG2 3.24Å; I30-V34 PolarHBondContact O-N 2.91Å
31L97.7Very high92.6Very high93 Ų9394.3 Ų94.349%0.48751%0.505SS..Hα-helixtrans-58.5-44.9179.5-178.663.7000111.5Q27 N28 V34 Q35Q27-L31 WeakPolarHBondContact O-CB 3.4Å; Q27-L31 PolarHBondContact O-N 3.36Å; N28-L31 PolarHBondContact O-N 3Å; L31-V34 PolarHBondContact O-N 2.88Å; L31-Q35 VanDerWaalsContact O-CG 3.31Å; L31-Q35 WeakPolarHBondContact O-CG 3.38Å; L31-Q35 PolarHBondContact O-N 3.37Å
32R96.4Very high91.1Very high177 Ų17797.8 Ų97.867%0.66851%0.514SS*.Hα-helixtrans-62.6-43176-71.9174.1-175.7-169.21.7111.8N28 A29 I30 Q35 Q36N28-R32 WeakPolarHBondContact O-CB 3.3Å; N28-R32 VanDerWaalsContact O-CG 3.27Å; N28-R32 WeakPolarHBondContact O-CG 3.46Å; N28-R32 PolarHBondContact O-N 3.4Å; A29-R32 PolarHBondContact O-N 3.47Å; I30-R32 VanDerWaalsContact C-N 3.32Å; I30-R32 PolarHBondContact O-N 2.79Å; R32-Q35 PolarHBondContact O-N 2.9Å; R32-Q36 WeakPolarHBondContact O-CB 3.31Å; R32-Q36 PolarHBondContact O-N 3.48Å
33A95.9Very high89.8Confident47 Ų47102.6 Ų102.639%0.38852%0.521SS..Hα-helixtrans-63-43.117800000111.8A29 I30 Q36 V37A29-A33 WeakPolarHBondContact O-CB 3.31Å; A29-A33 PolarHBondContact O-N 3.29Å; I30-A33 PolarHBondContact O-N 3.4Å; I30-A33 VanDerWaalsContact O-N 3.16Å; A33-Q36 PolarHBondContact O-N 3.38Å; A33-V37 VanDerWaalsContact O-CG2 3.3Å; A33-V37 WeakPolarHBondContact O-CG2 3.49Å; A33-V37 PolarHBondContact O-N 3.26Å
34V96.1Very high88.5Confident89 Ų89105.8 Ų105.854%0.53953%0.53SS..Hα-helixtrans-63.3-43.8176.3171.70000111.2I30 L31 Q36 V37 S38I30-V34 HydrophobicContact CG2-CG2 4.33Å; I30-V34 WeakPolarHBondContact O-CG2 3.24Å; I30-V34 PolarHBondContact O-N 2.91Å; L31-V34 PolarHBondContact O-N 2.88Å; V34-Q36 VanDerWaalsContact C-N 3.34Å; V34-Q36 PolarHBondContact O-N 3.16Å; V34-V37 PolarHBondContact O-N 2.88Å; V34-S38 WeakPolarHBondContact O-CB 3.48Å; V34-S38 PolarHBondContact O-N 2.92Å
35Q92.3Very high86.8Confident97 Ų97106.6 Ų106.645%0.45353%0.534SS..Hα-helixtrans-61.2-43.3175.2-72.9173.23.400111.7L31 R32 S38 Q39L31-Q35 VanDerWaalsContact O-CG 3.31Å; L31-Q35 WeakPolarHBondContact O-CG 3.38Å; L31-Q35 PolarHBondContact O-N 3.37Å; R32-Q35 PolarHBondContact O-N 2.9Å; Q35-S38 PolarHBondContact O-N 3.34Å; Q35-Q39 WeakPolarHBondContact O-CB 3.33Å; Q35-Q39 VanDerWaalsContact O-CG 3.31Å; Q35-Q39 WeakPolarHBondContact O-CG 3.33Å; Q35-Q39 PolarHBondContact O-N 3.43Å
36Q91.1Very high85.1Confident122 Ų122106.7 Ų106.757%0.5753%0.532SS*.Hα-helixtrans-61.8-47.1177.1-178.3-179.7-12.100111.2R32 A33 V34 S38 Q39 E40R32-Q36 WeakPolarHBondContact O-CB 3.31Å; R32-Q36 PolarHBondContact O-N 3.48Å; A33-Q36 PolarHBondContact O-N 3.38Å; V34-Q36 VanDerWaalsContact C-N 3.34Å; V34-Q36 PolarHBondContact O-N 3.16Å; Q36-S38 VanDerWaalsContact C-N 3.35Å; Q36-S38 PolarHBondContact O-N 3.08Å; Q36-Q39 PolarHBondContact O-N 3.34Å; Q36-E40 VanDerWaalsContact O-CB 3.24Å; Q36-E40 WeakPolarHBondContact O-CB 3.3Å; Q36-E40 PolarHBondContact O-N 3.43Å
37V88.9Confident83.4Confident91 Ų91112.3 Ų112.355%0.55255%0.545SS*.Hα-helixtrans-62.3-43.6178.5171.70000110.8A33 V34 Q39 E40 S41A33-V37 VanDerWaalsContact O-CG2 3.3Å; A33-V37 WeakPolarHBondContact O-CG2 3.49Å; A33-V37 PolarHBondContact O-N 3.26Å; V34-V37 PolarHBondContact O-N 2.88Å; V37-Q39 VanDerWaalsContact C-N 3.33Å; V37-Q39 PolarHBondContact O-N 3.49Å; V37-E40 PolarHBondContact O-N 2.91Å; V37-S41 PolarHBondContact O-N 2.99Å; V37-S41 PolarHBondContact O-OG 2.97Å
38S84.5Confident81.7Confident62 Ų62110.9 Ų110.943%0.43454%0.54SS..Hα-helixtrans-60.7-41.7176.6-174.50000112.3V34 Q35 Q36 Q42V34-S38 WeakPolarHBondContact O-CB 3.48Å; V34-S38 PolarHBondContact O-N 2.92Å; Q35-S38 PolarHBondContact O-N 3.34Å; Q36-S38 VanDerWaalsContact C-N 3.35Å; Q36-S38 PolarHBondContact O-N 3.08Å; S38-Q42 WeakPolarHBondContact O-CG 3.33Å; S38-Q42 PolarHBondContact O-N 3.36Å
39Q77.1Confident79.9Confident103 Ų103110 Ų11048%0.48154%0.54SS..Hα-helixtrans-71.9-36.1177.3-71.3176.52700112.1Q35 Q36 V37 Q42 R43Q35-Q39 WeakPolarHBondContact O-CB 3.33Å; Q35-Q39 VanDerWaalsContact O-CG 3.31Å; Q35-Q39 WeakPolarHBondContact O-CG 3.33Å; Q35-Q39 PolarHBondContact O-N 3.43Å; Q36-Q39 PolarHBondContact O-N 3.34Å; V37-Q39 VanDerWaalsContact C-N 3.33Å; V37-Q39 PolarHBondContact O-N 3.49Å; Q39-Q42 PolarHBondContact O-N 3.44Å; Q39-R43 WeakPolarHBondContact O-CB 3.27Å; Q39-R43 WeakPolarHBondContact O-CG 3.48Å; Q39-R43 PolarHBondContact O-N 3.46Å
40E72.5Confident78.2Confident117 Ų117112.3 Ų112.355%0.54755%0.545SS..Hα-helixtrans-69.4-38.9179.4-174.7162.4-176.500111.6Q36 V37 R43 R44Q36-E40 VanDerWaalsContact O-CB 3.24Å; Q36-E40 WeakPolarHBondContact O-CB 3.3Å; Q36-E40 PolarHBondContact O-N 3.43Å; V37-E40 PolarHBondContact O-N 2.91Å; E40-R43 PolarHBondContact O-N 2.97Å; E40-R44 VanDerWaalsContact O-CB 3.25Å; E40-R44 WeakPolarHBondContact O-CB 3.39Å; E40-R44 PolarHBondContact O-N 3.24Å
41S73.1Confident76.3Confident65 Ų65112.1 Ų112.146%0.45555%0.545SS..Hα-helixtrans-56.8-49169.9-68.40000111.6V37 R44 E45V37-S41 PolarHBondContact O-N 2.99Å; V37-S41 PolarHBondContact O-OG 2.97Å; S41-R44 PolarHBondContact O-N 2.93Å; S41-E45 PolarHBondContact O-N 3.16Å; S41-E45 VanDerWaalsContact O-N 3.13Å
42Q66.6Low74.4Confident119 Ų119113.9 Ų113.956%0.55655%0.55SS**Hα-helixtrans-63.3-47.8178.5-70.8172.87.700112.2S38 Q39 R44 E45 E46S38-Q42 WeakPolarHBondContact O-CG 3.33Å; S38-Q42 PolarHBondContact O-N 3.36Å; Q39-Q42 PolarHBondContact O-N 3.44Å; Q42-R44 VanDerWaalsContact C-N 3.29Å; Q42-R44 PolarHBondContact O-N 3.32Å; Q42-E45 PolarHBondContact O-N 3.3Å; Q42-E46 WeakPolarHBondContact O-CB 3.5Å; Q42-E46 PolarHBondContact O-N 2.96Å
43R69.8Low72.4Confident166 Ų166107.3 Ų107.363%0.62654%0.538SS*.Hα-helixtrans-63.4-34.7179.2-75.1-172.9-178.2-1451.7112.4Q39 E40 R47Q39-R43 WeakPolarHBondContact O-CB 3.27Å; Q39-R43 WeakPolarHBondContact O-CG 3.48Å; Q39-R43 PolarHBondContact O-N 3.46Å; E40-R43 PolarHBondContact O-N 2.97Å; R43-R47 WeakPolarHBondContact O-CB 3.46Å; R43-R47 WeakPolarHBondContact O-CG 3.44Å; R43-R47 PolarHBondContact O-N 3.37Å
44R69.2Low70.5Confident188 Ų188112 Ų11271%0.70955%0.552SS**Hα-helixtrans-69.2-40.5178.3-165.3178.5-156.1-150.65.2111.3E40 S41 Q42 I48E40-R44 VanDerWaalsContact O-CB 3.25Å; E40-R44 WeakPolarHBondContact O-CB 3.39Å; E40-R44 PolarHBondContact O-N 3.24Å; S41-R44 PolarHBondContact O-N 2.93Å; Q42-R44 VanDerWaalsContact C-N 3.29Å; Q42-R44 PolarHBondContact O-N 3.32Å; R44-I48 HydrophobicContact CG-CD1 4.38Å; R44-I48 WeakPolarHBondContact O-CD1 3.37Å; R44-I48 VanDerWaalsContact O-CG1 3.23Å; R44-I48 WeakPolarHBondContact O-CG1 3.49Å; R44-I48 PolarHBondContact O-N 2.92Å
45E62.7Low68.7Low138 Ų138112.5 Ų112.565%0.64555%0.55SS**Hα-helixtrans-64.6-46.2173.3-79.6169.4-173.700111.7S41 Q42 R47 I48 S49S41-E45 PolarHBondContact O-N 3.16Å; S41-E45 VanDerWaalsContact O-N 3.13Å; Q42-E45 PolarHBondContact O-N 3.3Å; E45-R47 PolarHBondContact O-N 3.23Å; E45-I48 PolarHBondContact O-N 3.41Å; E45-I48 VanDerWaalsContact O-N 3.08Å; E45-S49 PolarHBondContact O-N 3.44Å; E45-S49 PolarHBondContact O-OG 3.32Å
46E63.4Low67Low118 Ų118114.4 Ų114.455%0.55156%0.559SS**Hα-helixtrans-61.4-42.5178.6-163.9176.2-161.400111.9Q42 I48 S49 D50Q42-E46 WeakPolarHBondContact O-CB 3.5Å; Q42-E46 PolarHBondContact O-N 2.96Å; E46-I48 VanDerWaalsContact C-N 3.29Å; E46-I48 PolarHBondContact O-N 3.39Å; E46-S49 WeakPolarHBondContact CA-OG 3.42Å; E46-S49 PolarHBondContact O-N 3.07Å; E46-S49 PolarHBondContact O-OG 3.47Å; E46-D50 WeakPolarHBondContact O-CB 3.29Å; E46-D50 PolarHBondContact O-N 3.24Å
47R62.2Low65.2Low198 Ų198116.1 Ų116.175%0.74757%0.571SS**Hα-helixtrans-62.6-33.3173.8-69.1-114.9-160.8163.27.3113.3R43 E45 N51R43-R47 WeakPolarHBondContact O-CB 3.46Å; R43-R47 WeakPolarHBondContact O-CG 3.44Å; R43-R47 PolarHBondContact O-N 3.37Å; E45-R47 PolarHBondContact O-N 3.23Å; R47-N51 WeakPolarHBondContact O-CB 3.44Å; R47-N51 PolarHBondContact O-N 2.86Å
48I62.3Low63.3Low100 Ų100114.9 Ų114.951%0.51358%0.577SS.*Hα-helixtrans-74.6-43.4177-68.6166.6000109.7R44 E45 E46 N51 Q52R44-I48 HydrophobicContact CG-CD1 4.38Å; R44-I48 WeakPolarHBondContact O-CD1 3.37Å; R44-I48 VanDerWaalsContact O-CG1 3.23Å; R44-I48 WeakPolarHBondContact O-CG1 3.49Å; R44-I48 PolarHBondContact O-N 2.92Å; E45-I48 PolarHBondContact O-N 3.41Å; E45-I48 VanDerWaalsContact O-N 3.08Å; E46-I48 VanDerWaalsContact C-N 3.29Å; E46-I48 PolarHBondContact O-N 3.39Å; I48-N51 PolarHBondContact O-N 2.95Å; I48-Q52 WeakPolarHBondContact O-CB 3.33Å; I48-Q52 PolarHBondContact O-N 3.32Å
49S60.4Low61.7Low62 Ų62117.3 Ų117.343%0.43459%0.589SS.*Hα-helixtrans-64.6-39.9176.957.80000112.6E45 E46 Q52 G53E45-S49 PolarHBondContact O-N 3.44Å; E45-S49 PolarHBondContact O-OG 3.32Å; E46-S49 WeakPolarHBondContact CA-OG 3.42Å; E46-S49 PolarHBondContact O-N 3.07Å; E46-S49 PolarHBondContact O-OG 3.47Å; S49-Q52 PolarHBondContact O-N 3.46Å; S49-G53 PolarHBondContact O-N 3.03Å
50D61.5Low60.7Low106 Ų106115.4 Ų115.457%0.56760%0.597SS**Hα-helixtrans-65.4-41.3177.6-73.3-13.3000111.5E46 G53 H54E46-D50 WeakPolarHBondContact O-CB 3.29Å; E46-D50 PolarHBondContact O-N 3.24Å; D50-G53 PolarHBondContact O-N 3.07Å; D50-H54 WeakPolarHBondContact O-CB 3.47Å; D50-H54 PolarHBondContact O-N 2.89Å
51N58.6Low59.9Low97 Ų97117.8 Ų117.852%0.51961%0.608SS.*Hα-helixtrans-69.5-39177.7-154.1-37.7000111.2R47 I48 H54 I55R47-N51 WeakPolarHBondContact O-CB 3.44Å; R47-N51 PolarHBondContact O-N 2.86Å; I48-N51 PolarHBondContact O-N 2.95Å; N51-H54 PolarHBondContact O-N 3.26Å; N51-I55 WeakPolarHBondContact O-CB 3.19Å; N51-I55 VanDerWaalsContact O-CG1 3.3Å; N51-I55 WeakPolarHBondContact O-CG1 3.32Å; N51-I55 PolarHBondContact O-N 3Å; N51-I55 WeakPolarHBondContact OD1-CD1 3.38Å
52Q58.1Low59.1Low129 Ų129123 Ų12360%0.60363%0.63SS**Hα-helixtrans-69.6-35.7176.3-163.2174.2-14.700112.4I48 S49 Q56I48-Q52 WeakPolarHBondContact O-CB 3.33Å; I48-Q52 PolarHBondContact O-N 3.32Å; S49-Q52 PolarHBondContact O-N 3.46Å; Q52-Q56 PolarHBondContact O-N 2.96Å; Q52-Q56 VanDerWaalsContact O-N 3.11Å
53G54.9Low58.6Low40 Ų40123.6 Ų123.641%0.41264%0.642SS.*Hα-helixtrans-65.5-36.7172.400000113.1S49 D50S49-G53 PolarHBondContact O-N 3.03Å; D50-G53 PolarHBondContact O-N 3.07Å
54H55.7Low57.9Low146 Ų146124.8 Ų124.868%0.67665%0.652SS**Hα-helixtrans-75.2-38.4176.4-173-95.1000112.9D50 N51 Q56 L57D50-H54 WeakPolarHBondContact O-CB 3.47Å; D50-H54 PolarHBondContact O-N 2.89Å; N51-H54 PolarHBondContact O-N 3.26Å; H54-Q56 VanDerWaalsContact C-N 3.34Å; H54-Q56 PolarHBondContact O-N 2.84Å; H54-L57 PolarHBondContact O-N 3.3Å
55I57.3Low57.5Low99 Ų99125.1 Ų125.151%0.50866%0.659SS.*Hα-helixtrans-69.9-30.5177.9-68.2-177.3000111.6N51 L57 G58 V59N51-I55 WeakPolarHBondContact O-CB 3.19Å; N51-I55 VanDerWaalsContact O-CG1 3.3Å; N51-I55 WeakPolarHBondContact O-CG1 3.32Å; N51-I55 PolarHBondContact O-N 3Å; N51-I55 WeakPolarHBondContact OD1-CD1 3.38Å; I55-L57 VanDerWaalsContact C-N 3.35Å; I55-L57 PolarHBondContact O-N 3.39Å; I55-G58 PolarHBondContact O-N 3.22Å; I55-V59 WeakPolarHBondContact O-CG2 3.19Å
56Q56.3Low56.9Low137 Ų137127 Ų12764%0.6467%0.667SS**Hα-helixtrans-72.4-26.1177.2-151.874.687.900113.3Q52 H54 G58Q52-Q56 PolarHBondContact O-N 2.96Å; Q52-Q56 VanDerWaalsContact O-N 3.11Å; H54-Q56 VanDerWaalsContact C-N 3.34Å; H54-Q56 PolarHBondContact O-N 2.84Å; Q56-G58 VanDerWaalsContact C-N 3.32Å; Q56-G58 PolarHBondContact O-N 3.48Å
57L53.3Low56.5Low158 Ų158129.3 Ų129.383%0.82768%0.678SS**THydrogen-bonded Turntrans-78.7-10.5177.1-70.8172.1000114H54 I55H54-L57 PolarHBondContact O-N 3.3Å; I55-L57 VanDerWaalsContact C-N 3.35Å; I55-L57 PolarHBondContact O-N 3.39Å
58G49.5Very low56.1Low65 Ų65128.5 Ų128.567%0.6768%0.679SS**THydrogen-bonded Turntrans-104.9-8.9-179.800000116I55 Q56I55-G58 PolarHBondContact O-N 3.22Å; Q56-G58 VanDerWaalsContact C-N 3.32Å; Q56-G58 PolarHBondContact O-N 3.48Å
59V51.1Low55.8Low112 Ų112135.4 Ų135.468%0.67971%0.706SS**SBendtrans-94.56.2-174.8177.90000112.4I55I55-V59 WeakPolarHBondContact O-CG2 3.19Å
60G55.3Low55.6Low64 Ų64139.1 Ų139.166%0.6672%0.72SS**SBendtrans-109.423.2-169.400000117.3
61E56.4Low55.3Low166 Ų166140.8 Ų140.878%0.77673%0.728SS**  trans-156.344.5175.1-128.4-175.1122.600117.3
62L56Low55.1Low176 Ų176143.3 Ų143.392%0.92174%0.739SS**  trans-122.845.2170.9-66.9180000114
63T57.2Low54.9Low131 Ų131144.1 Ų144.180%0.80475%0.747SS**  trans-131.753160.466.80000111.8K65T63-K65 PolarHBondContact O-N 3.26Å
64K53.9Low54.9Low191 Ų191150.6 Ų150.683%0.8377%0.768SS**  trans-87.797.7155.5-87.7-162.2177.4179.50109.4H66K64-H66 PolarHBondContact O-N 2.82Å
65K62.3Low54.9Low195 Ų195150.9 Ų150.985%0.84877%0.774SS**  trans-42.8124.7167.6-51.7-122.4-177.3-176.40109.7T63T63-K65 PolarHBondContact O-N 3.26Å
66H49.3Very low54.7Low176 Ų176154.6 Ų154.682%0.81579%0.793SS**  trans-10590.9162.1-13988.3000107.2K64K64-H66 PolarHBondContact O-N 2.82Å
67E53.9Low54.6Low167 Ų167156 Ų15678%0.7881%0.805SS**  trans-85.4102.8161.1-162-172.6128.300105.5
68K53.7Low54.7Low181 Ų181155.8 Ų155.879%0.78780%0.803SS**  trans-103.4105.2170.2-169.6170.1179.7176.90108
69K57.4Low55.1Low246 Ų246164.1 Ų164.1100%1.0782%0.815SS**  trans-68.20158-72.7-171.8177.9-171.70110.5

Retrieved 69 of 69 residues in 11.6 ms (Link to these results)