A0A087WNU8_MOUSE Loading...

glutathione transferase

AlphaFold DB , UniProt , Accession A0A087WNU8, Species MOUSE (Mus musculus, Mouse), Gene Gstm6, Length 52 aa.

>A0A087WNU8_MOUSE|A0A087WNU8|Gstm6
MGDAPDYDRSQWLNDKFKLDLDFPNLPYLIDGSHKVTQSNAILRYLGRKHNL
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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
1M61.2Low84.1Confident248 Ų248137.5 Ų137.5100%1.22274%0.739SS**  0121.30-83.6173.2166.400106.2
2G79.1Confident84.8Confident78 Ų78129.8 Ų129.880%0.80469%0.691SS**PPolyproline II helixtrans-90145.5174.600000109.6
3D79.3Confident85.5Confident164 Ų164126.6 Ų126.688%0.87767%0.674SS**PPolyproline II helixtrans-58.9152.2177.1-68.8-43.1000111.4
4A77.3Confident86.2Confident80 Ų80124.9 Ų124.966%0.66167%0.665SS**PPolyproline II helixtrans-62.5141.3175.300000109.8
5P83.3Confident86.7Confident90 Ų90121.4 Ų121.458%0.58465%0.646SS**PPolyproline II helixtrans-64.4143.9176.427.3-33.6000110.5Y7P5-Y7 HydrophobicContact CG-CE2 4.45Å; P5-Y7 WeakPolarHBondContact O-CD2 3.49Å; P5-Y7 PolarHBondContact O-N 3.49Å
6D85.9Confident87Confident159 Ų159117.2 Ų117.285%0.8562%0.621SS**  trans-70.43.4-178.8-73.1-43.7000114.7D8D6-D8 PolarHBondContact O-N 2.93Å
7Y87.3Confident87.3Confident190 Ų190119.4 Ų119.475%0.74562%0.624SS**  trans4537.4-175.6-64.8-80.8000113.2P5 R9P5-Y7 HydrophobicContact CG-CE2 4.45Å; P5-Y7 WeakPolarHBondContact O-CD2 3.49Å; P5-Y7 PolarHBondContact O-N 3.49Å; Y7-R9 PolarHBondContact O-N 2.96Å
8D91.9Very high87.7Confident118 Ų118120.8 Ų120.863%0.63162%0.624SS**  trans-62.9127-178.4-178.728.3000110.6D6 S10D6-D8 PolarHBondContact O-N 2.93Å; D8-S10 VanDerWaalsContact CG-OG 3.32Å; D8-S10 WeakPolarHBondContact OD1-CB 3.35Å; D8-S10 PolarHBondContact OD1-N 3.05Å; D8-S10 PolarHBondContact OD1-OG 2.92Å; D8-S10 WeakPolarHBondContact OD2-CB 3.4Å; D8-S10 PolarHBondContact OD2-OG 3.46Å
9R92.4Very high88Confident173 Ų173116.5 Ų116.565%0.65360%0.602SS**  trans-112.89.1178.8-66.6-178.8-66.61720.4111.8Y7 Q11 W12 L13Y7-R9 PolarHBondContact O-N 2.96Å; R9-Q11 PolarHBondContact O-N 3.46Å; R9-Q11 VanDerWaalsContact O-N 3.17Å; R9-W12 PolarHBondContact O-N 3.48Å; R9-L13 HydrophobicContact CB-CD1 4.09Å; R9-L13 HydrophobicContact CB-CG 4.18Å; R9-L13 WeakPolarHBondContact O-CG 3.44Å; R9-L13 PolarHBondContact O-N 3.36Å
10S94.6Very high88.3Confident45 Ų45116.5 Ų116.532%0.31560%0.603SS.*Hα-helixtrans-50.4-40.9-179.168.40000111.9D8 W12 L13 N14D8-S10 VanDerWaalsContact CG-OG 3.32Å; D8-S10 WeakPolarHBondContact OD1-CB 3.35Å; D8-S10 PolarHBondContact OD1-N 3.05Å; D8-S10 PolarHBondContact OD1-OG 2.92Å; D8-S10 WeakPolarHBondContact OD2-CB 3.4Å; D8-S10 PolarHBondContact OD2-OG 3.46Å; S10-W12 VanDerWaalsContact C-N 3.32Å; S10-W12 PolarHBondContact O-N 3.47Å; S10-L13 PolarHBondContact O-N 3.43Å; S10-N14 WeakPolarHBondContact O-CB 3.24Å; S10-N14 PolarHBondContact O-N 3.46Å; S10-N14 PolarHBondContact O-ND2 3.32Å; S10-N14 VanDerWaalsContact O-ND2 3.15Å
11Q92.6Very high88.6Confident168 Ų168111.5 Ų111.579%0.78558%0.577SS**Hα-helixtrans-53.6-46.4176.7-172.8178.846.300112.5R9R9-Q11 PolarHBondContact O-N 3.46Å; R9-Q11 VanDerWaalsContact O-N 3.17Å
12W93.3Very high90.1Very high45 Ų45106.4 Ų106.417%0.1756%0.555CS.*Hα-helixtrans-78.3-46.1177.9168.4-128.4000112.1R9 S10 N14 D15 K16 L19 L21 L26 Y28R9-W12 PolarHBondContact O-N 3.48Å; S10-W12 VanDerWaalsContact C-N 3.32Å; S10-W12 PolarHBondContact O-N 3.47Å; W12-N14 VanDerWaalsContact C-N 3.27Å; W12-N14 PolarHBondContact O-N 3.34Å; W12-D15 PolarHBondContact O-N 2.9Å; W12-D15 VanDerWaalsContact O-N 3.14Å; W12-K16 HydrophobicContact CD2-CB 4.21Å; W12-K16 HydrophobicContact CE3-CB 4.38Å; W12-K16 HydrophobicContact CH2-CB 4.14Å; W12-K16 HydrophobicContact CH2-CG 4.02Å; W12-K16 HydrophobicContact CZ2-CB 3.94Å; W12-K16 HydrophobicContact CZ2-CD 4Å; W12-K16 HydrophobicContact CZ2-CG 3.58Å; W12-K16 HydrophobicContact CZ3-CB 4.35Å; W12-K16 WeakPolarHBondContact O-CB 3.42Å; W12-K16 PolarHBondContact O-N 3Å; W12-L19 HydrophobicContact CH2-CD1 4.38Å; W12-L19 HydrophobicContact CZ3-CD1 3.79Å; W12-L21 HydrophobicContact CH2-CD1 4.44Å; W12-L26 HydrophobicContact CD2-CD1 4.15Å; W12-L26 HydrophobicContact CD2-CD2 3.94Å; W12-L26 HydrophobicContact CD2-CG 4.01Å; W12-L26 HydrophobicContact CE3-CD2 3.8Å; W12-L26 HydrophobicContact CE3-CG 4.39Å; W12-L26 HydrophobicContact CG-CD1 4.09Å; W12-L26 HydrophobicContact CG-CG 4.44Å; W12-L26 HydrophobicContact CH2-CD2 3.92Å; W12-L26 HydrophobicContact CH2-CG 4.43Å; W12-L26 HydrophobicContact CZ2-CD2 4.04Å; W12-L26 HydrophobicContact CZ2-CG 4.05Å; W12-L26 HydrophobicContact CZ3-CD2 3.79Å; W12-Y28 HydrophobicContact CH2-CD1 4.24Å; W12-Y28 HydrophobicContact CH2-CE1 4.36Å; W12-Y28 HydrophobicContact CZ3-CD1 4.11Å; W12-Y28 AromaticContact CZ3-CE1 3.77Å; W12-Y28 HydrophobicContact CZ3-CE1 3.77Å
13L93.7Very high90.9Very high88 Ų88110 Ų11046%0.46155%0.549SS..Hα-helixtrans-64.3-32.7-174.1-67.9176.7000112.7R9 S10 D15R9-L13 HydrophobicContact CB-CD1 4.09Å; R9-L13 HydrophobicContact CB-CG 4.18Å; R9-L13 WeakPolarHBondContact O-CG 3.44Å; R9-L13 PolarHBondContact O-N 3.36Å; S10-L13 PolarHBondContact O-N 3.43Å; L13-D15 VanDerWaalsContact C-N 3.29Å; L13-D15 PolarHBondContact O-N 3.27Å
14N94.5Very high91.6Very high103 Ų103103.9 Ų103.955%0.55152%0.518SS*.Hα-helixtrans-67.4-29.9177.2-72.5-19.7000112.6S10 W12 K18S10-N14 WeakPolarHBondContact O-CB 3.24Å; S10-N14 PolarHBondContact O-N 3.46Å; S10-N14 PolarHBondContact O-ND2 3.32Å; S10-N14 VanDerWaalsContact O-ND2 3.15Å; W12-N14 VanDerWaalsContact C-N 3.27Å; W12-N14 PolarHBondContact O-N 3.34Å; N14-K18 WeakPolarHBondContact O-CE 3.33Å; N14-K18 PolarHBondContact O-NZ 3.27Å
15D93.6Very high92.5Very high72 Ų72103.6 Ų103.639%0.38551%0.505SS..Hα-helixtrans-108.7-14.8-174.7-67.1-21.1000113.8W12 L13 F17 K18 L19W12-D15 PolarHBondContact O-N 2.9Å; W12-D15 VanDerWaalsContact O-N 3.14Å; L13-D15 VanDerWaalsContact C-N 3.29Å; L13-D15 PolarHBondContact O-N 3.27Å; D15-F17 PolarHBondContact O-N 3.48Å; D15-K18 WeakPolarHBondContact O-CB 3.41Å; D15-K18 PolarHBondContact O-N 3.04Å; D15-K18 IonicContact OD1-NZ 2.82Å; D15-K18 PolarHBondContact OD1-NZ 2.95Å; D15-L19 PolarHBondContact O-N 3.17Å
16K91.3Very high93.1Very high54 Ų54103.5 Ų103.524%0.23550%0.5CS..THydrogen-bonded Turntrans-42.8-44.8-176.1177.3173-177.9-1780114.2W12 P24W12-K16 HydrophobicContact CD2-CB 4.21Å; W12-K16 HydrophobicContact CE3-CB 4.38Å; W12-K16 HydrophobicContact CH2-CB 4.14Å; W12-K16 HydrophobicContact CH2-CG 4.02Å; W12-K16 HydrophobicContact CZ2-CB 3.94Å; W12-K16 HydrophobicContact CZ2-CD 4Å; W12-K16 HydrophobicContact CZ2-CG 3.58Å; W12-K16 HydrophobicContact CZ3-CB 4.35Å; W12-K16 WeakPolarHBondContact O-CB 3.42Å; W12-K16 PolarHBondContact O-N 3Å; K16-P24 HydrophobicContact CD-CB 4.42Å; K16-P24 VanDerWaalsContact CE-O 3.25Å; K16-P24 WeakPolarHBondContact CE-O 3.35Å; K16-P24 HydrophobicContact CG-CB 3.69Å
17F92.8Very high93.6Very high154 Ų15498.9 Ų98.968%0.67548%0.478SS*.THydrogen-bonded Turntrans-97.1-7.6-177-58.1-73.2000114D15 P24D15-F17 PolarHBondContact O-N 3.48Å; F17-P24 HydrophobicContact CD1-CG 4.19Å; F17-P24 HydrophobicContact CE1-CG 4.33Å
18K95.2Very high94.1Very high146 Ų14694.4 Ų94.464%0.63546%0.461SS*.THydrogen-bonded Turntrans-81.9-19.1177.2-59.6-179.2-168.41490112.9N14 D15 D20N14-K18 WeakPolarHBondContact O-CE 3.33Å; N14-K18 PolarHBondContact O-NZ 3.27Å; D15-K18 WeakPolarHBondContact O-CB 3.41Å; D15-K18 PolarHBondContact O-N 3.04Å; D15-K18 IonicContact OD1-NZ 2.82Å; D15-K18 PolarHBondContact OD1-NZ 2.95Å; K18-D20 PolarHBondContact O-N 2.98Å
19L92.6Very high94.3Very high38 Ų3891 Ų9120%0.19944%0.442CS..THydrogen-bonded Turntrans-76.6-11.7-179.3-61.1175.5000113.1W12 D15 L21 Y28 I30 K35W12-L19 HydrophobicContact CH2-CD1 4.38Å; W12-L19 HydrophobicContact CZ3-CD1 3.79Å; D15-L19 PolarHBondContact O-N 3.17Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 HydrophobicContact CB-CD1 3.97Å; L19-L21 HydrophobicContact CB-CG 3.82Å; L19-L21 HydrophobicContact CD1-CD1 4.03Å; L19-L21 PolarHBondContact O-N 3.36Å; L19-Y28 HydrophobicContact CD1-CD1 4.31Å; L19-Y28 HydrophobicContact CD1-CD2 4.49Å; L19-Y28 HydrophobicContact CD1-CE1 3.84Å; L19-Y28 HydrophobicContact CD1-CE2 4.02Å; L19-I30 HydrophobicContact CB-CD1 4.47Å; L19-I30 HydrophobicContact CD2-CD1 4.08Å; L19-K35 PolarHBondContact O-NZ 3.38Å
20D93.8Very high94.5Very high117 Ų11786.3 Ų86.363%0.62643%0.429SS*.  trans52.853.1179.2174.262.2000110.6K18 K35K18-D20 PolarHBondContact O-N 2.98Å; D20-K35 WeakPolarHBondContact O-CD 3.48Å; D20-K35 PolarHBondContact O-NZ 3.47Å; D20-K35 VanDerWaalsContact O-NZ 3.12Å; D20-K35 IonicContact OD2-NZ 2.71Å; D20-K35 PolarHBondContact OD2-NZ 3.01Å
21L94.6Very high94.6Very high12 Ų1286.4 Ų86.46%0.06343%0.426CS..  trans-91.8134.7174.3-60.4168000108.4W12 L19 F23 P24 Y28 K35 T37W12-L21 HydrophobicContact CH2-CD1 4.44Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 HydrophobicContact CB-CD1 3.97Å; L19-L21 HydrophobicContact CB-CG 3.82Å; L19-L21 HydrophobicContact CD1-CD1 4.03Å; L19-L21 PolarHBondContact O-N 3.36Å; L21-F23 PolarHBondContact O-N 3Å; L21-P24 HydrophobicContact CB-CB 4.46Å; L21-P24 HydrophobicContact CB-CG 4.25Å; L21-P24 WeakPolarHBondContact O-CD 3.45Å; L21-P24 WeakPolarHBondContact O-CG 3.42Å; L21-Y28 HydrophobicContact CD1-CD1 4.45Å; L21-Y28 HydrophobicContact CD1-CG 4.2Å; L21-K35 HydrophobicContact CD2-CB 3.94Å; L21-T37 HydrophobicContact CB-CG2 4.2Å; L21-T37 HydrophobicContact CD1-CG2 3.83Å; L21-T37 HydrophobicContact CD2-CG2 4Å; L21-T37 HydrophobicContact CG-CG2 4.23Å
22D93.8Very high94.7Very high141 Ų14181.6 Ų81.675%0.75442%0.422SS*.SBendtrans-57.8-38.8177.1-63.9-32000112.2
23F94.3Very high94.8Very high153 Ų15384.6 Ų84.667%0.67145%0.45SS*.SBendtrans-130.785.6177.3-57.5-76.9000110.1L21 N25 T37L21-F23 PolarHBondContact O-N 3Å; F23-N25 PolarHBondContact O-N 3.24Å; F23-T37 WeakPolarHBondContact O-CB 3.27Å; F23-T37 VanDerWaalsContact O-CG2 3.27Å; F23-T37 WeakPolarHBondContact O-CG2 3.39Å; F23-T37 PolarHBondContact O-OG1 3.5Å
24P95.1Very high94.9Very high35 Ų3585.3 Ų85.323%0.22745%0.45CS..  trans-63105.2-173.3-22.933.1000112.7K16 F17 L21K16-P24 HydrophobicContact CD-CB 4.42Å; K16-P24 VanDerWaalsContact CE-O 3.25Å; K16-P24 WeakPolarHBondContact CE-O 3.35Å; K16-P24 HydrophobicContact CG-CB 3.69Å; F17-P24 HydrophobicContact CD1-CG 4.19Å; F17-P24 HydrophobicContact CE1-CG 4.33Å; L21-P24 HydrophobicContact CB-CB 4.46Å; L21-P24 HydrophobicContact CB-CG 4.25Å; L21-P24 WeakPolarHBondContact O-CD 3.45Å; L21-P24 WeakPolarHBondContact O-CG 3.42Å
25N96.3Very high95Very high74 Ų7483.9 Ų83.940%0.39644%0.439SS..  trans-151.1160.2177.3-161.519.1000111.2F23 P27F23-N25 PolarHBondContact O-N 3.24Å; N25-P27 CarbonylContact O-C 3.51Å
26L95.1Very high95.1Very high89 Ų8981.9 Ų81.947%0.46643%0.429SS..SBendtrans-94140166.1-59.6179.5000109W12 Y28W12-L26 HydrophobicContact CD2-CD1 4.15Å; W12-L26 HydrophobicContact CD2-CD2 3.94Å; W12-L26 HydrophobicContact CD2-CG 4.01Å; W12-L26 HydrophobicContact CE3-CD2 3.8Å; W12-L26 HydrophobicContact CE3-CG 4.39Å; W12-L26 HydrophobicContact CG-CD1 4.09Å; W12-L26 HydrophobicContact CG-CG 4.44Å; W12-L26 HydrophobicContact CH2-CD2 3.92Å; W12-L26 HydrophobicContact CH2-CG 4.43Å; W12-L26 HydrophobicContact CZ2-CD2 4.04Å; W12-L26 HydrophobicContact CZ2-CG 4.05Å; W12-L26 HydrophobicContact CZ3-CD2 3.79Å; L26-Y28 HydrophobicContact CD2-CD1 3.66Å; L26-Y28 HydrophobicContact CD2-CE1 3.69Å
27P97Very high95.4Very high61 Ų6180 Ų8040%0.39642%0.423SS..SBendcis-77.3158.4-7.832.7-34.8000113.1N25 Q38 S39 I42N25-P27 CarbonylContact O-C 3.51Å; P27-Q38 PolarHBondContact O-N 2.86Å; P27-S39 WeakPolarHBondContact CD-OG 3.48Å; P27-S39 WeakPolarHBondContact CG-OG 3.35Å; P27-I42 HydrophobicContact CB-CD1 4.25Å; P27-I42 HydrophobicContact CG-CD1 4.25Å
28Y97.3Very high95.6Very high97 Ų9777.9 Ų77.938%0.3842%0.415SS..EExtended strand (participates in β ladder)trans-130.2157.3171.467.6-95.3000111.4W12 L19 L21 L26 I30 V36W12-Y28 HydrophobicContact CH2-CD1 4.24Å; W12-Y28 HydrophobicContact CH2-CE1 4.36Å; W12-Y28 HydrophobicContact CZ3-CD1 4.11Å; W12-Y28 AromaticContact CZ3-CE1 3.77Å; W12-Y28 HydrophobicContact CZ3-CE1 3.77Å; L19-Y28 HydrophobicContact CD1-CD1 4.31Å; L19-Y28 HydrophobicContact CD1-CD2 4.49Å; L19-Y28 HydrophobicContact CD1-CE1 3.84Å; L19-Y28 HydrophobicContact CD1-CE2 4.02Å; L21-Y28 HydrophobicContact CD1-CD1 4.45Å; L21-Y28 HydrophobicContact CD1-CG 4.2Å; L26-Y28 HydrophobicContact CD2-CD1 3.66Å; L26-Y28 HydrophobicContact CD2-CE1 3.69Å; Y28-I30 HydrophobicContact CD2-CD1 4.16Å; Y28-I30 HydrophobicContact CD2-CG1 4.04Å; Y28-I30 HydrophobicContact CE2-CD1 4.03Å; Y28-I30 HydrophobicContact CE2-CG1 4.32Å; Y28-V36 CarbonylContact C-O 3.56Å; Y28-V36 WeakPolarHBondContact CA-O 3.46Å
29L97.3Very high95.7Very high45 Ų4573.8 Ų73.824%0.23640%0.404CS..EExtended strand (participates in β ladder)trans-128.4131.4170.917973.3000108.6V36 I42 Y45 L46L29-V36 PolarHBondContact N-O 3.26Å; L29-V36 PolarHBondContact O-N 3Å; L29-I42 HydrophobicContact CB-CD1 4.18Å; L29-I42 HydrophobicContact CB-CG1 3.98Å; L29-I42 HydrophobicContact CB-CG2 4.03Å; L29-I42 HydrophobicContact CD2-CG2 4.16Å; L29-Y45 HydrophobicContact CD2-CD1 3.41Å; L29-Y45 VanDerWaalsContact CD2-CD1 3.41Å; L29-Y45 HydrophobicContact CD2-CE1 3.62Å; L29-Y45 HydrophobicContact CD2-CG 4.47Å; L29-L46 HydrophobicContact CD2-CD2 4.18Å; L29-L46 HydrophobicContact CD2-CG 4.45Å
30I96.9Very high95.9Very high76 Ų7677.6 Ų77.639%0.3943%0.425SS..EExtended strand (participates in β ladder)trans-118.4120.3170.5-61.9172.3000107.5L19 Y28 H34 K35L19-I30 HydrophobicContact CB-CD1 4.47Å; L19-I30 HydrophobicContact CD2-CD1 4.08Å; Y28-I30 HydrophobicContact CD2-CD1 4.16Å; Y28-I30 HydrophobicContact CD2-CG1 4.04Å; Y28-I30 HydrophobicContact CE2-CD1 4.03Å; Y28-I30 HydrophobicContact CE2-CG1 4.32Å; I30-H34 WeakPolarHBondContact CA-O 3.39Å; I30-K35 HydrophobicContact CG1-CG 4.44Å
31D96.3Very high96.1Very high47 Ų4773.9 Ų73.925%0.25141%0.411SS..EExtended strand (participates in β ladder)trans-136.587.6-177.1-170.7-1.2000109.7S33 H34 Y45 K49D31-S33 PolarHBondContact O-N 2.88Å; D31-H34 PolarHBondContact N-O 3.25Å; D31-H34 WeakPolarHBondContact O-CB 3.13Å; D31-H34 PolarHBondContact O-N 2.57Å; D31-Y45 HydrophobicContact CB-CE1 4.21Å; D31-Y45 WeakPolarHBondContact OD2-CE1 3.18Å; D31-Y45 PolarHBondContact OD2-OH 3.31Å; D31-K49 VanDerWaalsContact CG-NZ 3.3Å; D31-K49 IonicContact OD1-NZ 3.25Å; D31-K49 PolarHBondContact OD1-NZ 2.86Å; D31-K49 IonicContact OD2-NZ 2.57Å; D31-K49 PolarHBondContact OD2-NZ 2.99Å
32G94.8Very high96.3Very high67 Ų6774.3 Ų74.369%0.69141%0.413SS*.THydrogen-bonded Turntrans61.9-119.5-170.800000111.5H34G32-H34 VanDerWaalsContact C-N 3.33Å
33S94.6Very high96.5Very high108 Ų10873 Ų7376%0.75541%0.405SS*.THydrogen-bonded Turntrans-79.3-13.4175.2560000113.8D31D31-S33 PolarHBondContact O-N 2.88Å
34H95.2Very high96.6Very high102 Ų10273.8 Ų73.847%0.47240%0.404SS..EExtended strand (participates in β ladder)trans-84.2125.2-179.9-61.389.9000110.1I30 D31 G32 Y45I30-H34 WeakPolarHBondContact CA-O 3.39Å; D31-H34 PolarHBondContact N-O 3.25Å; D31-H34 WeakPolarHBondContact O-CB 3.13Å; D31-H34 PolarHBondContact O-N 2.57Å; G32-H34 VanDerWaalsContact C-N 3.33Å; H34-Y45 HydrophobicContact CB-CE2 4.12Å
35K96.9Very high96.8Very high73 Ų7374.1 Ų74.132%0.31740%0.401SS..EExtended strand (participates in β ladder)trans-126.7114177.2-57.8-179.2-174.9-179.40108.5L19 D20 L21 I30L19-K35 PolarHBondContact O-NZ 3.38Å; D20-K35 WeakPolarHBondContact O-CD 3.48Å; D20-K35 PolarHBondContact O-NZ 3.47Å; D20-K35 VanDerWaalsContact O-NZ 3.12Å; D20-K35 IonicContact OD2-NZ 2.71Å; D20-K35 PolarHBondContact OD2-NZ 3.01Å; L21-K35 HydrophobicContact CD2-CB 3.94Å; I30-K35 HydrophobicContact CG1-CG 4.44Å
36V96.8Very high96.8Very high30 Ų3073.6 Ų73.618%0.18240%0.397CS..EExtended strand (participates in β ladder)trans-128.2127.9-171.6-174.40000109.4Y28 L29 A41 I42 Y45Y28-V36 CarbonylContact C-O 3.56Å; Y28-V36 WeakPolarHBondContact CA-O 3.46Å; L29-V36 PolarHBondContact N-O 3.26Å; L29-V36 PolarHBondContact O-N 3Å; V36-A41 HydrophobicContact CG1-CB 3.77Å; V36-I42 HydrophobicContact CB-CG1 4.29Å; V36-I42 HydrophobicContact CG1-CG1 3.96Å; V36-Y45 HydrophobicContact CG2-CD2 4.48Å
37T96.7Very high97Very high15 Ų1570.1 Ų70.19%0.09238%0.383CS..EExtended strand (participates in β ladder)trans-111172168.358.30000109.1L21 F23L21-T37 HydrophobicContact CB-CG2 4.2Å; L21-T37 HydrophobicContact CD1-CG2 3.83Å; L21-T37 HydrophobicContact CD2-CG2 4Å; L21-T37 HydrophobicContact CG-CG2 4.23Å; F23-T37 WeakPolarHBondContact O-CB 3.27Å; F23-T37 VanDerWaalsContact O-CG2 3.27Å; F23-T37 WeakPolarHBondContact O-CG2 3.39Å; F23-T37 PolarHBondContact O-OG1 3.5Å
38Q97.4Very high97Very high110 Ų11076.9 Ų76.951%0.51440%0.401SS..SBendtrans76.4117.9-171.4-53.5-71.2-14.700113.5P27 N40 A41 I42P27-Q38 PolarHBondContact O-N 2.86Å; Q38-N40 VanDerWaalsContact C-N 3.31Å; Q38-N40 PolarHBondContact O-N 2.9Å; Q38-N40 VanDerWaalsContact O-N 3.17Å; Q38-A41 HydrophobicContact CB-CB 4.12Å; Q38-A41 WeakPolarHBondContact O-CB 3.36Å; Q38-A41 PolarHBondContact O-N 2.99Å; Q38-I42 WeakPolarHBondContact O-CG1 3.44Å; Q38-I42 PolarHBondContact O-N 3.12Å
39S97.6Very high97Very high59 Ų5977.5 Ų77.541%0.41341%0.405SS..Hα-helixtrans-52.4-44.5-174.1-43.30000113.4P27 A41 I42 L43P27-S39 WeakPolarHBondContact CD-OG 3.48Å; P27-S39 WeakPolarHBondContact CG-OG 3.35Å; S39-A41 PolarHBondContact O-N 3.26Å; S39-I42 PolarHBondContact O-N 2.87Å; S39-L43 WeakPolarHBondContact O-CG 3.38Å; S39-L43 PolarHBondContact O-N 2.79Å
40N97.2Very high97Very high119 Ų11981 Ų8164%0.63642%0.42SS*.Hα-helixtrans-69.4-32.3179.7-74.5-15.2000113Q38 R44Q38-N40 VanDerWaalsContact C-N 3.31Å; Q38-N40 PolarHBondContact O-N 2.9Å; Q38-N40 VanDerWaalsContact O-N 3.17Å; N40-R44 WeakPolarHBondContact O-CB 3.25Å; N40-R44 VanDerWaalsContact O-CG 3.24Å; N40-R44 WeakPolarHBondContact O-CG 3.49Å; N40-R44 PolarHBondContact O-N 2.85Å
41A96.9Very high96.8Very high39 Ų3984.6 Ų84.632%0.32244%0.44SS..Hα-helixtrans-70.5-41.5175.900000110.6V36 Q38 S39 R44 Y45V36-A41 HydrophobicContact CG1-CB 3.77Å; Q38-A41 HydrophobicContact CB-CB 4.12Å; Q38-A41 WeakPolarHBondContact O-CB 3.36Å; Q38-A41 PolarHBondContact O-N 2.99Å; S39-A41 PolarHBondContact O-N 3.26Å; A41-R44 PolarHBondContact O-N 3.03Å; A41-Y45 WeakPolarHBondContact O-CB 3.42Å; A41-Y45 PolarHBondContact O-N 3.42Å
42I98.2Very high96.6Very high21 Ų2192 Ų9211%0.10848%0.479CS..Hα-helixtrans-58.5-48.6173.5-65.8170.3000110.5P27 L29 V36 Q38 S39 R44 Y45 L46P27-I42 HydrophobicContact CB-CD1 4.25Å; P27-I42 HydrophobicContact CG-CD1 4.25Å; L29-I42 HydrophobicContact CB-CD1 4.18Å; L29-I42 HydrophobicContact CB-CG1 3.98Å; L29-I42 HydrophobicContact CB-CG2 4.03Å; L29-I42 HydrophobicContact CD2-CG2 4.16Å; V36-I42 HydrophobicContact CB-CG1 4.29Å; V36-I42 HydrophobicContact CG1-CG1 3.96Å; Q38-I42 WeakPolarHBondContact O-CG1 3.44Å; Q38-I42 PolarHBondContact O-N 3.12Å; S39-I42 PolarHBondContact O-N 2.87Å; I42-R44 PolarHBondContact O-N 2.99Å; I42-Y45 WeakPolarHBondContact O-CB 3.1Å; I42-Y45 PolarHBondContact O-N 3.43Å; I42-L46 HydrophobicContact CG2-CD1 4.22Å; I42-L46 WeakPolarHBondContact O-CG 3.18Å; I42-L46 PolarHBondContact O-N 3.06Å
43L97.9Very high96.7Very high113 Ų11393.2 Ų93.259%0.59247%0.468SS*.Hα-helixtrans-61.8-44.3178.8-70.8171.8000112.2S39 Y45 L46 G47S39-L43 WeakPolarHBondContact O-CG 3.38Å; S39-L43 PolarHBondContact O-N 2.79Å; L43-Y45 VanDerWaalsContact C-N 3.32Å; L43-Y45 PolarHBondContact O-N 2.71Å; L43-L46 PolarHBondContact O-N 3.01Å; L43-G47 PolarHBondContact O-N 3.28Å
44R97.9Very high96.8Very high170 Ų17092.4 Ų92.464%0.64245%0.453SS*.Hα-helixtrans-64.3-36.7176.1-73171.7-176.9-108.72.5112.4N40 A41 I42 R48N40-R44 WeakPolarHBondContact O-CB 3.25Å; N40-R44 VanDerWaalsContact O-CG 3.24Å; N40-R44 WeakPolarHBondContact O-CG 3.49Å; N40-R44 PolarHBondContact O-N 2.85Å; A41-R44 PolarHBondContact O-N 3.03Å; I42-R44 PolarHBondContact O-N 2.99Å; R44-R48 WeakPolarHBondContact O-CG 3.2Å; R44-R48 PolarHBondContact O-N 2.89Å
45Y97.7Very high96.9Very high42 Ų4291.9 Ų91.917%0.16545%0.452CS..Hα-helixtrans-61.4-49.5175171.1-95.7000110.9L29 D31 H34 V36 A41 I42 L43 G47 R48 K49L29-Y45 HydrophobicContact CD2-CD1 3.41Å; L29-Y45 VanDerWaalsContact CD2-CD1 3.41Å; L29-Y45 HydrophobicContact CD2-CE1 3.62Å; L29-Y45 HydrophobicContact CD2-CG 4.47Å; D31-Y45 HydrophobicContact CB-CE1 4.21Å; D31-Y45 WeakPolarHBondContact OD2-CE1 3.18Å; D31-Y45 PolarHBondContact OD2-OH 3.31Å; H34-Y45 HydrophobicContact CB-CE2 4.12Å; V36-Y45 HydrophobicContact CG2-CD2 4.48Å; A41-Y45 WeakPolarHBondContact O-CB 3.42Å; A41-Y45 PolarHBondContact O-N 3.42Å; I42-Y45 WeakPolarHBondContact O-CB 3.1Å; I42-Y45 PolarHBondContact O-N 3.43Å; L43-Y45 VanDerWaalsContact C-N 3.32Å; L43-Y45 PolarHBondContact O-N 2.71Å; Y45-G47 PolarHBondContact O-N 3.17Å; Y45-R48 PolarHBondContact O-N 3.14Å; Y45-K49 HydrophobicContact CE1-CD 4.12Å; Y45-K49 WeakPolarHBondContact O-CB 2.95Å; Y45-K49 PolarHBondContact O-N 3.33Å
46L97.8Very high96.9Very high62 Ų6293 Ų9333%0.32546%0.46SS..Hα-helixtrans-62.3-42.3177.9-67.1172.3000111.8L29 I42 L43 R48 K49 H50L29-L46 HydrophobicContact CD2-CD2 4.18Å; L29-L46 HydrophobicContact CD2-CG 4.45Å; I42-L46 HydrophobicContact CG2-CD1 4.22Å; I42-L46 WeakPolarHBondContact O-CG 3.18Å; I42-L46 PolarHBondContact O-N 3.06Å; L43-L46 PolarHBondContact O-N 3.01Å; L46-R48 PolarHBondContact O-N 3.45Å; L46-K49 PolarHBondContact O-N 3.31Å; L46-H50 PolarHBondContact O-CD2 2.87Å; L46-H50 VanDerWaalsContact O-CD2 3.27Å; L46-H50 PolarHBondContact O-N 3.43Å
47G98Very high96.9Very high16 Ų1696.9 Ų96.917%0.16548%0.477CS..Hα-helixtrans-57.8-48.5175.300000112.5L43 Y45 K49 H50 N51 L52L43-G47 PolarHBondContact O-N 3.28Å; Y45-G47 PolarHBondContact O-N 3.17Å; G47-K49 PolarHBondContact O-N 2.83Å; G47-H50 CarbonylContact O-C 3.53Å; G47-H50 PolarHBondContact O-N 3.15Å; G47-N51 WeakPolarHBondContact O-CA 3.39Å; G47-N51 PolarHBondContact O-N 3.32Å; G47-L52 PolarHBondContact O-N 2.94Å
48R97.4Very high96.9Very high203 Ų203102.4 Ų102.477%0.76650%0.503SS*.Hα-helixtrans-63.2-40.8175.9-70.6172.6-179.5167.4-2.2112.9R44 Y45 L46 H50 N51R44-R48 WeakPolarHBondContact O-CG 3.2Å; R44-R48 PolarHBondContact O-N 2.89Å; Y45-R48 PolarHBondContact O-N 3.14Å; L46-R48 PolarHBondContact O-N 3.45Å; R48-H50 VanDerWaalsContact C-N 3.29Å; R48-H50 PolarHBondContact O-N 2.82Å; R48-N51 PolarHBondContact O-N 2.9Å
49K97.1Very high96.8Very high110 Ų110101.9 Ų101.948%0.47850%0.502SS..Hα-helixtrans-64.2-34.7179.7-175.4176.4-179.5-179.20112.2D31 Y45 L46 G47D31-K49 VanDerWaalsContact CG-NZ 3.3Å; D31-K49 IonicContact OD1-NZ 3.25Å; D31-K49 PolarHBondContact OD1-NZ 2.86Å; D31-K49 IonicContact OD2-NZ 2.57Å; D31-K49 PolarHBondContact OD2-NZ 2.99Å; Y45-K49 HydrophobicContact CE1-CD 4.12Å; Y45-K49 WeakPolarHBondContact O-CB 2.95Å; Y45-K49 PolarHBondContact O-N 3.33Å; L46-K49 PolarHBondContact O-N 3.31Å; G47-K49 PolarHBondContact O-N 2.83Å
50H97.3Very high96.8Very high119 Ų119105.2 Ų105.255%0.55151%0.509SS*.Hα-helixtrans-1047.9-178-65.9-72.5000114.2L46 G47 R48 L52L46-H50 PolarHBondContact O-CD2 2.87Å; L46-H50 VanDerWaalsContact O-CD2 3.27Å; L46-H50 PolarHBondContact O-N 3.43Å; G47-H50 CarbonylContact O-C 3.53Å; G47-H50 PolarHBondContact O-N 3.15Å; R48-H50 VanDerWaalsContact C-N 3.29Å; R48-H50 PolarHBondContact O-N 2.82Å; H50-L52 HydrophobicContact CB-CD1 4.32Å; H50-L52 HydrophobicContact CB-CG 4.3Å; H50-L52 PolarHBondContact O-N 2.59Å
51N93.7Very high96.8Very high152 Ų152104 Ų10481%0.81350%0.498SS*.THydrogen-bonded Turntrans54.148.7179.9-165.358.6000113.7G47 R48G47-N51 WeakPolarHBondContact O-CA 3.39Å; G47-N51 PolarHBondContact O-N 3.32Å; R48-N51 PolarHBondContact O-N 2.9Å
52L91.2Very high96.7Very high201 Ų201109.9 Ų109.9100%1.05251%0.514SS*.  trans-103.50174.7-61.6173.6000111.9G47 H50G47-L52 PolarHBondContact O-N 2.94Å; H50-L52 HydrophobicContact CB-CD1 4.32Å; H50-L52 HydrophobicContact CB-CG 4.3Å; H50-L52 PolarHBondContact O-N 2.59Å

Retrieved 52 of 52 residues in 71.3 ms (Link to these results)

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