A0A087WPT2_MOUSE Loading...

Prostaglandin-endoperoxide synthase 2

AlphaFold DB , UniProt , Accession A0A087WPT2, Species MOUSE (Mus musculus, Mouse), Gene Ptgs2, Length 62 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
1M50.6Low82.2Confident247 Ų247133.5 Ų133.5100%1.21770%0.696SS**  093.60-152.6171.7-163.200106.2
2S64.8Low83.3Confident123 Ų123124.7 Ų124.786%0.8665%0.653SS**  trans-86.4127.3177.234.10000108.5
3T73.6Confident84.3Confident79 Ų79123 Ų12349%0.48565%0.651SS.*  trans-69.1139.817345.40000109.7K9T3-K9 HydrophobicContact CG2-CB 3.93Å
4G83.3Confident85.1Confident45 Ų45132.1 Ų132.146%0.46467%0.672SS.*  trans-74.3-176.6175.500000113.1D6 Q7G4-D6 VanDerWaalsContact C-N 3.26Å; G4-D6 PolarHBondContact O-N 3.38Å; G4-Q7 PolarHBondContact O-N 3.14Å
5F83.4Confident85.9Confident216 Ų216127.5 Ų127.595%0.94765%0.654SS**THydrogen-bonded Turntrans-63.8-26-176.7-68.2-80000114.6
6D85.6Confident86.6Confident161 Ų161120.2 Ų120.286%0.86162%0.619SS**THydrogen-bonded Turntrans-108.58.9-175.9-55.7-48.1000113.4G4G4-D6 VanDerWaalsContact C-N 3.26Å; G4-D6 PolarHBondContact O-N 3.38Å
7Q87.9Confident87.2Confident139 Ų139116.4 Ų116.465%0.6560%0.597SS**  trans-124.3141.9-176.1-67.8-178.6-13.400111.3G4G4-Q7 PolarHBondContact O-N 3.14Å
8Y90.4Very high87.7Confident135 Ų135117.2 Ų117.253%0.52959%0.592SS.*  trans-120.5161.8171.570.7-80.7000110.3N21Y8-N21 WeakPolarHBondContact CE2-OD1 3.42Å; Y8-N21 PolarHBondContact OH-OD1 2.72Å
9K93Very high88.2Confident153 Ų153112.8 Ų112.867%0.66558%0.58SS**  trans-137.6126.3172-175.165.3-178.3176.10109.2T3T3-K9 HydrophobicContact CG2-CB 3.93Å
10C94.9Very high88.5Confident44 Ų44113.4 Ų113.430%0.29758%0.58SS.*  trans-80133.1169.6-630000110.4C12 E20 C22C10-C12 PolarHBondContact O-N 3.1Å; C10-E20 WeakPolarHBondContact CB-O 3.44Å; C10-E20 PolarHBondContact SG-O 2.87Å; C10-C22 VanDerWaalsContact CB-SG 3.57Å
11D96.1Very high88.8Confident127 Ų127111.8 Ų111.868%0.67957%0.573SS**  trans-85.3104.2165.6-174.7-1000109.1T13D11-T13 VanDerWaalsContact C-N 3.32Å; D11-T13 WeakPolarHBondContact OD1-CB 3.17Å; D11-T13 PolarHBondContact OD1-N 3.33Å; D11-T13 PolarHBondContact OD1-OG1 3.08Å
12C95.8Very high91Very high27 Ų27101.3 Ų101.318%0.18252%0.524CS..  trans-909.7179.3-49.50000113.2C10 R14 T15 F17 C22C10-C12 PolarHBondContact O-N 3.1Å; C12-R14 PolarHBondContact O-N 3.02Å; C12-T15 WeakPolarHBondContact O-CB 3.4Å; C12-T15 WeakPolarHBondContact O-CG2 3.46Å; C12-T15 PolarHBondContact O-N 3.36Å; C12-T15 VanDerWaalsContact O-N 3.14Å; C12-T15 PolarHBondContact O-OG1 3.42Å; C12-F17 WeakPolarHBondContact CB-O 3.33Å; C12-C22 VanDerWaalsContact CA-SG 3.5Å; C12-C22 HydrophobicContact CB-CB 3.9Å; C12-C22 WeakPolarHBondContact CB-SG 3.44Å; C12-C22 VanDerWaalsContact SG-CA 3.56Å; C12-C22 WeakPolarHBondContact SG-CB 3.41Å; C12-C22 CovalentContact SG-SG 2.03Å; C12-C22 PolarHBondContact SG-SG 3.45Å
13T96.6Very high92.6Very high103 Ų103100.4 Ų100.463%0.63251%0.513SS*.THydrogen-bonded Turntrans-58.3124.2-174.4-58.30000111.8D11 T15D11-T13 VanDerWaalsContact C-N 3.32Å; D11-T13 WeakPolarHBondContact OD1-CB 3.17Å; D11-T13 PolarHBondContact OD1-N 3.33Å; D11-T13 PolarHBondContact OD1-OG1 3.08Å; T13-T15 PolarHBondContact O-N 2.7Å; T13-T15 VanDerWaalsContact O-N 3.14Å
14R95.7Very high93.7Very high250 Ų25099.3 Ų99.394%0.94351%0.506SS*.THydrogen-bonded Turntrans58.818.3-179.4-60.6177.1-176.6168.31.3115.4C12 G16C12-R14 PolarHBondContact O-N 3.02Å; R14-G16 VanDerWaalsContact C-N 3.33Å
15T96.8Very high94.4Very high64 Ų6499.2 Ų99.239%0.39350%0.498SS..THydrogen-bonded Turntrans-76.1-25.2170.363.20000112.1C12 T13 F17C12-T15 WeakPolarHBondContact O-CB 3.4Å; C12-T15 WeakPolarHBondContact O-CG2 3.46Å; C12-T15 PolarHBondContact O-N 3.36Å; C12-T15 VanDerWaalsContact O-N 3.14Å; C12-T15 PolarHBondContact O-OG1 3.42Å; T13-T15 PolarHBondContact O-N 2.7Å; T13-T15 VanDerWaalsContact O-N 3.14Å; T15-F17 VanDerWaalsContact C-N 3.31Å; T15-F17 VanDerWaalsContact O-CD2 3.3Å; T15-F17 WeakPolarHBondContact O-CD2 3.48Å; T15-F17 PolarHBondContact OG1-N 3.4Å; T15-F17 PolarHBondContact OG1-O 3.05Å
16G96.9Very high95Very high10 Ų1093.6 Ų93.610%0.10347%0.474CS..SBendtrans78.815.7-170.100000113.1R14 E26 T29R14-G16 VanDerWaalsContact C-N 3.33Å; G16-E26 WeakPolarHBondContact O-CB 3.27Å; G16-E26 WeakPolarHBondContact O-CG 3.36Å; G16-E26 PolarHBondContact O-N 3.23Å; G16-T29 WeakPolarHBondContact CA-OG1 3.38Å; G16-T29 VanDerWaalsContact O-CB 3.25Å; G16-T29 WeakPolarHBondContact O-CB 3.18Å; G16-T29 PolarHBondContact O-OG1 3.3Å
17F97.7Very high95.6Very high56 Ų5693.4 Ų93.425%0.24647%0.466CS..EExtended strand (participates in β ladder)trans-133.4158.9177.3-63.1-100.9000110.7C12 T15 C22 T24 P25 T29 L33C12-F17 WeakPolarHBondContact CB-O 3.33Å; T15-F17 VanDerWaalsContact C-N 3.31Å; T15-F17 VanDerWaalsContact O-CD2 3.3Å; T15-F17 WeakPolarHBondContact O-CD2 3.48Å; T15-F17 PolarHBondContact OG1-N 3.4Å; T15-F17 PolarHBondContact OG1-O 3.05Å; F17-C22 HydrophobicContact CB-CB 4.22Å; F17-C22 WeakPolarHBondContact CB-O 3.35Å; F17-C22 WeakPolarHBondContact CG-O 3.31Å; F17-T24 CarbonylContact C-O 3.5Å; F17-T24 WeakPolarHBondContact CA-O 3.42Å; F17-T24 WeakPolarHBondContact CB-O 3.47Å; F17-P25 VanDerWaalsContact CD1-CA 3.46Å; F17-P25 HydrophobicContact CD1-CB 3.88Å; F17-P25 HydrophobicContact CE1-CB 3.72Å; F17-T29 HydrophobicContact CD2-CG2 4.2Å; F17-T29 HydrophobicContact CE1-CG2 4.04Å; F17-T29 HydrophobicContact CE2-CG2 3.56Å; F17-T29 HydrophobicContact CZ-CG2 3.47Å; F17-T29 VanDerWaalsContact CZ-CG2 3.47Å; F17-L33 HydrophobicContact CE1-CD1 4.35Å; F17-L33 HydrophobicContact CZ-CD1 4.07Å
18Y96.3Very high95.9Very high130 Ų13093.1 Ų93.151%0.5147%0.468SS..EExtended strand (participates in β ladder)trans-135.9175.3176.569.4-87.9000111.7T23 T24 E26Y18-T23 PolarHBondContact O-N 2.84Å; Y18-T24 HydrophobicContact CD1-CG2 4.36Å; Y18-T24 VanDerWaalsContact CD1-O 3.26Å; Y18-T24 WeakPolarHBondContact CD1-O 3.2Å; Y18-T24 HydrophobicContact CE1-CG2 3.57Å; Y18-T24 HydrophobicContact CE2-CG2 3.85Å; Y18-T24 PolarHBondContact N-O 3.42Å; Y18-T24 PolarHBondContact O-N 3.4Å; Y18-T24 VanDerWaalsContact O-N 3.08Å; Y18-T24 VanDerWaalsContact OH-CG2 3.26Å; Y18-T24 WeakPolarHBondContact OH-CG2 3.49Å; Y18-E26 HydrophobicContact CD1-CG 4.18Å
19G95.6Very high96.2Very high35 Ų3587.9 Ų87.936%0.36145%0.45SS..SBendtrans111.1177-176.200000112.1N21 C22G19-N21 PolarHBondContact O-N 3.06Å; G19-C22 PolarHBondContact O-N 3.36Å
20E94.5Very high96.4Very high123 Ų12388.2 Ų88.258%0.57545%0.448SS*.THydrogen-bonded Turntrans-59.8-36177.1-169.9176.7172.100111.8C10C10-E20 WeakPolarHBondContact CB-O 3.44Å; C10-E20 PolarHBondContact SG-O 2.87Å
21N96.1Very high96.6Very high80 Ų8089.3 Ų89.343%0.42845%0.449SS..THydrogen-bonded Turntrans-114.315-176-65.9-36.2000113.9Y8 G19 T23Y8-N21 WeakPolarHBondContact CE2-OD1 3.42Å; Y8-N21 PolarHBondContact OH-OD1 2.72Å; G19-N21 PolarHBondContact O-N 3.06Å; N21-T23 VanDerWaalsContact C-N 3.27Å; N21-T23 HydrophobicContact CB-CG2 4.06Å; N21-T23 WeakPolarHBondContact O-CG2 3.49Å; N21-T23 PolarHBondContact O-N 3.13Å
22C96.6Very high96.6Very high28 Ų2890.6 Ų90.619%0.18945%0.449CS..SBendtrans52.239.7-178.8-40.50000114.2C10 C12 F17 G19C10-C22 VanDerWaalsContact CB-SG 3.57Å; C12-C22 VanDerWaalsContact CA-SG 3.5Å; C12-C22 HydrophobicContact CB-CB 3.9Å; C12-C22 WeakPolarHBondContact CB-SG 3.44Å; C12-C22 VanDerWaalsContact SG-CA 3.56Å; C12-C22 WeakPolarHBondContact SG-CB 3.41Å; C12-C22 CovalentContact SG-SG 2.03Å; C12-C22 PolarHBondContact SG-SG 3.45Å; F17-C22 HydrophobicContact CB-CB 4.22Å; F17-C22 WeakPolarHBondContact CB-O 3.35Å; F17-C22 WeakPolarHBondContact CG-O 3.31Å; G19-C22 PolarHBondContact O-N 3.36Å
23T97.3Very high96.6Very high104 Ų10493.8 Ų93.864%0.63846%0.464SS*.  trans-100.2-18.8-17652.70000113.7Y18 N21 P25Y18-T23 PolarHBondContact O-N 2.84Å; N21-T23 VanDerWaalsContact C-N 3.27Å; N21-T23 HydrophobicContact CB-CG2 4.06Å; N21-T23 WeakPolarHBondContact O-CG2 3.49Å; N21-T23 PolarHBondContact O-N 3.13Å; T23-P25 WeakPolarHBondContact O-CD 3.43Å
24T97.6Very high96.6Very high55 Ų5595.2 Ų95.234%0.33747%0.467SS..EExtended strand (participates in β ladder)trans-89.9117.9-177.9-50.10000109.7F17 Y18F17-T24 CarbonylContact C-O 3.5Å; F17-T24 WeakPolarHBondContact CA-O 3.42Å; F17-T24 WeakPolarHBondContact CB-O 3.47Å; Y18-T24 HydrophobicContact CD1-CG2 4.36Å; Y18-T24 VanDerWaalsContact CD1-O 3.26Å; Y18-T24 WeakPolarHBondContact CD1-O 3.2Å; Y18-T24 HydrophobicContact CE1-CG2 3.57Å; Y18-T24 HydrophobicContact CE2-CG2 3.85Å; Y18-T24 PolarHBondContact N-O 3.42Å; Y18-T24 PolarHBondContact O-N 3.4Å; Y18-T24 VanDerWaalsContact O-N 3.08Å; Y18-T24 VanDerWaalsContact OH-CG2 3.26Å; Y18-T24 WeakPolarHBondContact OH-CG2 3.49Å
25P97.3Very high96.7Very high44 Ų4489.8 Ų89.829%0.28646%0.456SS..EExtended strand (participates in β ladder)trans-73.1141.6-175.928.4-34000111.7F17 T23 T29 R30F17-P25 VanDerWaalsContact CD1-CA 3.46Å; F17-P25 HydrophobicContact CD1-CB 3.88Å; F17-P25 HydrophobicContact CE1-CB 3.72Å; T23-P25 WeakPolarHBondContact O-CD 3.43Å; P25-T29 HydrophobicContact CB-CG2 3.99Å; P25-R30 HydrophobicContact CB-CB 4.38Å; P25-R30 HydrophobicContact CG-CB 4.38Å
26E96.8Very high96.7Very high98 Ų9893.6 Ų93.646%0.45847%0.467SS..PPolyproline II helixtrans-68.9165164.9-64.8177.3173.700111G16 Y18 L28 T29 R30G16-E26 WeakPolarHBondContact O-CB 3.27Å; G16-E26 WeakPolarHBondContact O-CG 3.36Å; G16-E26 PolarHBondContact O-N 3.23Å; Y18-E26 HydrophobicContact CD1-CG 4.18Å; E26-L28 PolarHBondContact O-N 2.99Å; E26-T29 WeakPolarHBondContact O-CB 3.46Å; E26-T29 PolarHBondContact O-N 3.36Å; E26-T29 VanDerWaalsContact O-N 3.14Å; E26-R30 PolarHBondContact O-N 3.05Å
27F96.9Very high96.7Very high156 Ų15696.1 Ų96.168%0.68448%0.482SS*.Hα-helixtrans-54.5-49.7-173.5177.8-102.9000113.8T29 R30 I31F27-T29 VanDerWaalsContact C-N 3.35Å; F27-T29 PolarHBondContact O-N 3.38Å; F27-R30 WeakPolarHBondContact O-CB 3.37Å; F27-R30 PolarHBondContact O-N 3.18Å; F27-I31 HydrophobicContact CD1-CD1 3.92Å; F27-I31 HydrophobicContact CE1-CD1 3.34Å; F27-I31 HydrophobicContact CE2-CD1 4.09Å; F27-I31 HydrophobicContact CZ-CD1 3.45Å; F27-I31 VanDerWaalsContact CZ-CD1 3.45Å; F27-I31 HydrophobicContact CZ-CG1 4.45Å; F27-I31 PolarHBondContact O-N 3.01Å
28L96.1Very high96.7Very high134 Ų13497.1 Ų97.170%0.70249%0.492SS*.Hα-helixtrans-66.2-38.2179.3-71.1177.3000112.1E26 R30 I31 K32E26-L28 PolarHBondContact O-N 2.99Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 2.99Å; L28-I31 PolarHBondContact O-N 3.2Å; L28-K32 WeakPolarHBondContact O-CB 3.46Å; L28-K32 PolarHBondContact O-N 3.12Å
29T96.7Very high96.8Very high24 Ų2495.7 Ų95.715%0.14750%0.499CS..Hα-helixtrans-62.3-42175.1-54.20000110.8G16 F17 P25 E26 F27 K32 L33G16-T29 WeakPolarHBondContact CA-OG1 3.38Å; G16-T29 VanDerWaalsContact O-CB 3.25Å; G16-T29 WeakPolarHBondContact O-CB 3.18Å; G16-T29 PolarHBondContact O-OG1 3.3Å; F17-T29 HydrophobicContact CD2-CG2 4.2Å; F17-T29 HydrophobicContact CE1-CG2 4.04Å; F17-T29 HydrophobicContact CE2-CG2 3.56Å; F17-T29 HydrophobicContact CZ-CG2 3.47Å; F17-T29 VanDerWaalsContact CZ-CG2 3.47Å; P25-T29 HydrophobicContact CB-CG2 3.99Å; E26-T29 WeakPolarHBondContact O-CB 3.46Å; E26-T29 PolarHBondContact O-N 3.36Å; E26-T29 VanDerWaalsContact O-N 3.14Å; F27-T29 VanDerWaalsContact C-N 3.35Å; F27-T29 PolarHBondContact O-N 3.38Å; T29-K32 PolarHBondContact O-N 3.42Å; T29-L33 HydrophobicContact CG2-CD1 4.06Å; T29-L33 HydrophobicContact CG2-CG 4.37Å; T29-L33 WeakPolarHBondContact O-CB 3.48Å; T29-L33 VanDerWaalsContact O-CG 3.27Å; T29-L33 WeakPolarHBondContact O-CG 3.1Å; T29-L33 PolarHBondContact O-N 2.9Å
30R97.1Very high96.9Very high161 Ų161100.3 Ų100.361%0.60852%0.515SS*.Hα-helixtrans-61.4-45.9175.9-172.8178.1177.6-177.6-0.8111.7P25 E26 F27 L28 L33 L34P25-R30 HydrophobicContact CB-CB 4.38Å; P25-R30 HydrophobicContact CG-CB 4.38Å; E26-R30 PolarHBondContact O-N 3.05Å; F27-R30 WeakPolarHBondContact O-CB 3.37Å; F27-R30 PolarHBondContact O-N 3.18Å; L28-R30 VanDerWaalsContact C-N 3.32Å; L28-R30 PolarHBondContact O-N 2.99Å; R30-L33 PolarHBondContact O-N 3.36Å; R30-L34 HydrophobicContact CG-CD1 4.19Å; R30-L34 WeakPolarHBondContact O-CB 3.27Å; R30-L34 VanDerWaalsContact O-CG 3.28Å; R30-L34 WeakPolarHBondContact O-CG 3.4Å; R30-L34 PolarHBondContact O-N 3.38Å
31I97.8Very high97Very high66 Ų6697.6 Ų97.634%0.33851%0.507SS..Hα-helixtrans-61.1-47.6175.7-68170.1000110.6F27 L28 L33 L34 L35F27-I31 HydrophobicContact CD1-CD1 3.92Å; F27-I31 HydrophobicContact CE1-CD1 3.34Å; F27-I31 HydrophobicContact CE2-CD1 4.09Å; F27-I31 HydrophobicContact CZ-CD1 3.45Å; F27-I31 VanDerWaalsContact CZ-CD1 3.45Å; F27-I31 HydrophobicContact CZ-CG1 4.45Å; F27-I31 PolarHBondContact O-N 3.01Å; L28-I31 PolarHBondContact O-N 3.2Å; I31-L33 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 2.91Å; I31-L34 PolarHBondContact O-N 3.39Å; I31-L35 HydrophobicContact CG2-CD1 3.76Å; I31-L35 HydrophobicContact CG2-CG 4.38Å; I31-L35 WeakPolarHBondContact O-CG 3.49Å; I31-L35 PolarHBondContact O-N 3.34Å
32K96.9Very high97.1Very high154 Ų15496.6 Ų96.667%0.6750%0.504SS*.Hα-helixtrans-59.6-42.3179.3-175.7177.8179.8178.50111.9L28 T29 L35 K36L28-K32 WeakPolarHBondContact O-CB 3.46Å; L28-K32 PolarHBondContact O-N 3.12Å; T29-K32 PolarHBondContact O-N 3.42Å; K32-L35 PolarHBondContact O-N 3.18Å; K32-K36 WeakPolarHBondContact O-CB 3.28Å; K32-K36 PolarHBondContact O-N 2.98Å
33L96.4Very high97.2Very high94 Ų94100.8 Ų100.849%0.49252%0.521SS..Hα-helixtrans-68.4-36.2178.1-72.5175.1000112.5F17 T29 R30 I31F17-L33 HydrophobicContact CE1-CD1 4.35Å; F17-L33 HydrophobicContact CZ-CD1 4.07Å; T29-L33 HydrophobicContact CG2-CD1 4.06Å; T29-L33 HydrophobicContact CG2-CG 4.37Å; T29-L33 WeakPolarHBondContact O-CB 3.48Å; T29-L33 VanDerWaalsContact O-CG 3.27Å; T29-L33 WeakPolarHBondContact O-CG 3.1Å; T29-L33 PolarHBondContact O-N 2.9Å; R30-L33 PolarHBondContact O-N 3.36Å; I31-L33 VanDerWaalsContact C-N 3.32Å; I31-L33 PolarHBondContact O-N 2.91Å
34L96.4Very high97.2Very high133 Ų133101.8 Ų101.870%0.69651%0.514SS*.Hα-helixtrans-68.6-37.7176.2-74.2169.7000112.5R30 I31R30-L34 HydrophobicContact CG-CD1 4.19Å; R30-L34 WeakPolarHBondContact O-CB 3.27Å; R30-L34 VanDerWaalsContact O-CG 3.28Å; R30-L34 WeakPolarHBondContact O-CG 3.4Å; R30-L34 PolarHBondContact O-N 3.38Å; I31-L34 PolarHBondContact O-N 3.39Å
35L97.4Very high97.2Very high136 Ų136102.9 Ų102.971%0.71252%0.516SS*.Hα-helixtrans-84.4-19.7-179.6-65.9175.6000113.4I31 K32 P37I31-L35 HydrophobicContact CG2-CD1 3.76Å; I31-L35 HydrophobicContact CG2-CG 4.38Å; I31-L35 WeakPolarHBondContact O-CG 3.49Å; I31-L35 PolarHBondContact O-N 3.34Å; K32-L35 PolarHBondContact O-N 3.18Å; L35-P37 WeakPolarHBondContact O-CD 3.49Å
36K97Very high97.2Very high144 Ų144105.3 Ų105.363%0.62653%0.527SS*.  trans-72114.6-178.9-179.9179.4176.5-1740109.9K32K32-K36 WeakPolarHBondContact O-CB 3.28Å; K32-K36 PolarHBondContact O-N 2.98Å
37P96.9Very high97.2Very high64 Ų64104.4 Ų104.442%0.41653%0.528SS..  trans-66.7160.2174.528-34.4000111.6L35 T41 V42L35-P37 WeakPolarHBondContact O-CD 3.49Å; P37-T41 HydrophobicContact CB-CG2 4.1Å; P37-V42 HydrophobicContact CB-CG2 4.2Å; P37-V42 HydrophobicContact CG-CG2 3.58Å
38T97.4Very high97.1Very high76 Ų76102.1 Ų102.147%0.46652%0.519SS..  trans-66.3153.3176.273.90000111.2N40 T41 V42T38-N40 PolarHBondContact O-N 2.83Å; T38-T41 WeakPolarHBondContact O-CB 3.39Å; T38-T41 PolarHBondContact O-N 3.04Å; T38-T41 PolarHBondContact OG1-N 3.24Å; T38-T41 PolarHBondContact OG1-OG1 3.06Å; T38-V42 PolarHBondContact O-N 3.5Å
39P97.6Very high97.1Very high101 Ų101100.2 Ų100.266%0.65651%0.505SS*.Hα-helixtrans-54-37.2177.3-26.835.3000113.2V42 H43P39-V42 PolarHBondContact O-N 3.03Å; P39-H43 WeakPolarHBondContact O-CB 3.09Å; P39-H43 PolarHBondContact O-N 3.38Å
40N98.1Very high97Very high131 Ų131106.6 Ų106.670%0.70153%0.531SS*.Hα-helixtrans-67.5-40.2178.2-65.9-15.2000111.9T38 H43 Y44T38-N40 PolarHBondContact O-N 2.83Å; N40-H43 PolarHBondContact O-N 2.85Å; N40-Y44 WeakPolarHBondContact O-CB 3.1Å; N40-Y44 PolarHBondContact O-N 3.24Å
41T97.1Very high96.9Very high66 Ų66101.3 Ų101.341%0.40553%0.527SS..Hα-helixtrans-62.2-44.5174.8-53.40000111.1P37 T38 Y44 I45P37-T41 HydrophobicContact CB-CG2 4.1Å; T38-T41 WeakPolarHBondContact O-CB 3.39Å; T38-T41 PolarHBondContact O-N 3.04Å; T38-T41 PolarHBondContact OG1-N 3.24Å; T38-T41 PolarHBondContact OG1-OG1 3.06Å; T41-Y44 PolarHBondContact O-N 3.45Å; T41-I45 HydrophobicContact CG2-CD1 4.08Å; T41-I45 VanDerWaalsContact O-CG1 3.31Å; T41-I45 WeakPolarHBondContact O-CG1 3.5Å; T41-I45 PolarHBondContact O-N 2.95Å
42V97.8Very high96.8Very high59 Ų59102 Ų10236%0.35853%0.534SS..Hα-helixtrans-61.7-46.7176.3176.20000110.7P37 T38 P39 Y44 I45 L46P37-V42 HydrophobicContact CB-CG2 4.2Å; P37-V42 HydrophobicContact CG-CG2 3.58Å; T38-V42 PolarHBondContact O-N 3.5Å; P39-V42 PolarHBondContact O-N 3.03Å; V42-Y44 VanDerWaalsContact C-N 3.31Å; V42-Y44 PolarHBondContact O-N 3.5Å; V42-I45 PolarHBondContact O-N 3.14Å; V42-L46 HydrophobicContact CG1-CD1 3.7Å; V42-L46 HydrophobicContact CG1-CG 4.35Å; V42-L46 WeakPolarHBondContact O-CG 3.22Å; V42-L46 PolarHBondContact O-N 3.14Å
43H97.7Very high96.9Very high117 Ų11798.1 Ų98.154%0.54252%0.515SS..Hα-helixtrans-58.1-44.1177.5179.475.1000112P39 N40 L46 T47P39-H43 WeakPolarHBondContact O-CB 3.09Å; P39-H43 PolarHBondContact O-N 3.38Å; N40-H43 PolarHBondContact O-N 2.85Å; H43-L46 PolarHBondContact O-N 2.83Å; H43-T47 WeakPolarHBondContact O-CB 3.25Å; H43-T47 WeakPolarHBondContact O-CG2 3.3Å; H43-T47 PolarHBondContact O-N 3.39Å; H43-T47 VanDerWaalsContact O-N 3.08Å; H43-T47 PolarHBondContact O-OG1 3.27Å
44Y97.8Very high96.8Very high125 Ų12597.5 Ų97.549%0.4951%0.512SS..Hα-helixtrans-60.1-48176.9-176-92.6000111.6N40 T41 V42 L46 T47 H48 F49N40-Y44 WeakPolarHBondContact O-CB 3.1Å; N40-Y44 PolarHBondContact O-N 3.24Å; T41-Y44 PolarHBondContact O-N 3.45Å; V42-Y44 VanDerWaalsContact C-N 3.31Å; V42-Y44 PolarHBondContact O-N 3.5Å; Y44-L46 VanDerWaalsContact C-N 3.31Å; Y44-L46 PolarHBondContact O-N 3.33Å; Y44-T47 PolarHBondContact O-N 3.32Å; Y44-T47 PolarHBondContact O-OG1 3Å; Y44-H48 AromaticContact CD2-CD2 3.85Å; Y44-H48 AromaticContact CD2-CE1 3.4Å; Y44-H48 WeakPolarHBondContact CD2-CE1 3.45Å; Y44-H48 AromaticContact CD2-CG 3.76Å; Y44-H48 AromaticContact CD2-ND1 3.46Å; Y44-H48 WeakPolarHBondContact CD2-ND1 3.38Å; Y44-H48 AromaticContact CD2-NE2 3.64Å; Y44-H48 HydrophobicContact CE1-CB 4.26Å; Y44-H48 HydrophobicContact CE2-CB 4.36Å; Y44-H48 AromaticContact CE2-CD2 3.27Å; Y44-H48 WeakPolarHBondContact CE2-CD2 3.4Å; Y44-H48 AromaticContact CE2-CE1 3.61Å; Y44-H48 AromaticContact CE2-CG 3.52Å; Y44-H48 AromaticContact CE2-ND1 3.71Å; Y44-H48 AromaticContact CE2-NE2 3.33Å; Y44-H48 VanDerWaalsContact CE2-NE2 3.33Å; Y44-H48 WeakPolarHBondContact CE2-NE2 3.15Å; Y44-H48 AromaticContact CG-ND1 3.91Å; Y44-H48 AromaticContact CZ-CD2 3.69Å; Y44-H48 AromaticContact CZ-CG 3.79Å; Y44-H48 WeakPolarHBondContact O-CB 3.47Å; Y44-H48 PolarHBondContact O-N 3.49Å; Y44-H48 PolarHBondContact O-ND1 2.03Å; Y44-H48 VanDerWaalsContact O-ND1 3.1Å; Y44-F49 HydrophobicContact CD1-CE2 4.18Å; Y44-F49 AromaticContact CE1-CE2 3.99Å; Y44-F49 HydrophobicContact CE1-CE2 3.99Å; Y44-F49 HydrophobicContact CE1-CZ 4.05Å
45I97.4Very high96.8Very high77 Ų7796.7 Ų96.740%0.39551%0.508SS..Hα-helixtrans-59.3-43.7178.3-66165.4000111T41 V42 T47 F49 W53T41-I45 HydrophobicContact CG2-CD1 4.08Å; T41-I45 VanDerWaalsContact O-CG1 3.31Å; T41-I45 WeakPolarHBondContact O-CG1 3.5Å; T41-I45 PolarHBondContact O-N 2.95Å; V42-I45 PolarHBondContact O-N 3.14Å; I45-T47 VanDerWaalsContact C-N 3.32Å; I45-T47 PolarHBondContact O-N 3.21Å; I45-F49 HydrophobicContact CG1-CE2 4.38Å; I45-F49 HydrophobicContact CG2-CD2 4.37Å; I45-F49 WeakPolarHBondContact O-CD2 3.43Å; I45-W53 HydrophobicContact CG2-CZ2 4.21Å; I45-W53 PolarHBondContact O-NE1 3.22Å
46L97Very high96.7Very high96 Ų9692 Ų9250%0.50348%0.484SS..Hα-helixtrans-67.7-29.2-179.1-71166.9000113.5V42 H43 Y44 W53V42-L46 HydrophobicContact CG1-CD1 3.7Å; V42-L46 HydrophobicContact CG1-CG 4.35Å; V42-L46 WeakPolarHBondContact O-CG 3.22Å; V42-L46 PolarHBondContact O-N 3.14Å; H43-L46 PolarHBondContact O-N 2.83Å; Y44-L46 VanDerWaalsContact C-N 3.31Å; Y44-L46 PolarHBondContact O-N 3.33Å; L46-W53 HydrophobicContact CD2-CH2 3.54Å; L46-W53 HydrophobicContact CD2-CZ2 3.39Å; L46-W53 HydrophobicContact CD2-CZ3 4.38Å; L46-W53 HydrophobicContact CG-CZ2 4.22Å
47T96.9Very high96.6Very high78 Ų7890.7 Ų90.748%0.47948%0.484SS..Hα-helixtrans-102.4-21.8-170.951.20000114.7H43 Y44 I45H43-T47 WeakPolarHBondContact O-CB 3.25Å; H43-T47 WeakPolarHBondContact O-CG2 3.3Å; H43-T47 PolarHBondContact O-N 3.39Å; H43-T47 VanDerWaalsContact O-N 3.08Å; H43-T47 PolarHBondContact O-OG1 3.27Å; Y44-T47 PolarHBondContact O-N 3.32Å; Y44-T47 PolarHBondContact O-OG1 3Å; I45-T47 VanDerWaalsContact C-N 3.32Å; I45-T47 PolarHBondContact O-N 3.21Å
48H95.4Very high96.6Very high109 Ų10994 Ų9451%0.50550%0.498SS..Hα-helixtrans-101-27.1-170.7-69.764.6000114.1Y44 K50Y44-H48 AromaticContact CD2-CD2 3.85Å; Y44-H48 AromaticContact CD2-CE1 3.4Å; Y44-H48 WeakPolarHBondContact CD2-CE1 3.45Å; Y44-H48 AromaticContact CD2-CG 3.76Å; Y44-H48 AromaticContact CD2-ND1 3.46Å; Y44-H48 WeakPolarHBondContact CD2-ND1 3.38Å; Y44-H48 AromaticContact CD2-NE2 3.64Å; Y44-H48 HydrophobicContact CE1-CB 4.26Å; Y44-H48 HydrophobicContact CE2-CB 4.36Å; Y44-H48 AromaticContact CE2-CD2 3.27Å; Y44-H48 WeakPolarHBondContact CE2-CD2 3.4Å; Y44-H48 AromaticContact CE2-CE1 3.61Å; Y44-H48 AromaticContact CE2-CG 3.52Å; Y44-H48 AromaticContact CE2-ND1 3.71Å; Y44-H48 AromaticContact CE2-NE2 3.33Å; Y44-H48 VanDerWaalsContact CE2-NE2 3.33Å; Y44-H48 WeakPolarHBondContact CE2-NE2 3.15Å; Y44-H48 AromaticContact CG-ND1 3.91Å; Y44-H48 AromaticContact CZ-CD2 3.69Å; Y44-H48 AromaticContact CZ-CG 3.79Å; Y44-H48 WeakPolarHBondContact O-CB 3.47Å; Y44-H48 PolarHBondContact O-N 3.49Å; Y44-H48 PolarHBondContact O-ND1 2.03Å; Y44-H48 VanDerWaalsContact O-ND1 3.1Å; H48-K50 PolarHBondContact O-N 2.76Å
49F96.4Very high96.6Very high93 Ų9393 Ų9341%0.40849%0.49SS..  trans-99.159.1-170.7-60.4-75.7000114Y44 I45 G51 V52 W53Y44-F49 HydrophobicContact CD1-CE2 4.18Å; Y44-F49 AromaticContact CE1-CE2 3.99Å; Y44-F49 HydrophobicContact CE1-CE2 3.99Å; Y44-F49 HydrophobicContact CE1-CZ 4.05Å; I45-F49 HydrophobicContact CG1-CE2 4.38Å; I45-F49 HydrophobicContact CG2-CD2 4.37Å; I45-F49 WeakPolarHBondContact O-CD2 3.43Å; F49-G51 VanDerWaalsContact C-N 3.26Å; F49-G51 PolarHBondContact O-N 3.25Å; F49-G51 VanDerWaalsContact O-N 3.13Å; F49-V52 HydrophobicContact CB-CB 4.07Å; F49-V52 HydrophobicContact CB-CG2 4.1Å; F49-V52 PolarHBondContact O-N 3.19Å; F49-W53 PolarHBondContact O-N 3.39Å
50K94.9Very high96.1Very high158 Ų15894.1 Ų94.169%0.68750%0.497SS*.Hα-helixtrans-50.9-41-176.9-172.6178.7-178.2-178.40114H48 W53 N54H48-K50 PolarHBondContact O-N 2.76Å; K50-W53 PolarHBondContact O-N 3.07Å; K50-N54 WeakPolarHBondContact O-CB 3.39Å; K50-N54 PolarHBondContact O-N 2.94Å; K50-N54 PolarHBondContact O-OD1 2.85Å
51G94.9Very high95.8Very high50 Ų5096 Ų9652%0.51550%0.499SS..Hα-helixtrans-64.1-41.6179.400000113.4F49 N54 I55F49-G51 VanDerWaalsContact C-N 3.26Å; F49-G51 PolarHBondContact O-N 3.25Å; F49-G51 VanDerWaalsContact O-N 3.13Å; G51-N54 PolarHBondContact O-N 2.71Å; G51-I55 PolarHBondContact O-N 3.4Å
52V96.1Very high95Very high81 Ų8199.9 Ų99.949%0.49152%0.516SS..Hα-helixtrans-65.3-47175.9177.70000109.8F49 N54 I55 V56F49-V52 HydrophobicContact CB-CB 4.07Å; F49-V52 HydrophobicContact CB-CG2 4.1Å; F49-V52 PolarHBondContact O-N 3.19Å; V52-N54 VanDerWaalsContact C-N 3.31Å; V52-N54 PolarHBondContact O-N 3.26Å; V52-I55 WeakPolarHBondContact O-CB 3.26Å; V52-I55 PolarHBondContact O-N 2.86Å; V52-V56 HydrophobicContact CG1-CG2 4.33Å; V52-V56 WeakPolarHBondContact O-CG2 3.26Å; V52-V56 PolarHBondContact O-N 3.32Å
53W97.2Very high94.8Very high72 Ų72101.9 Ų101.927%0.27352%0.524SS..Hα-helixtrans-65.3-32.1179.3-69.8114.7000113.2I45 L46 F49 K50 I55 V56 N57I45-W53 HydrophobicContact CG2-CZ2 4.21Å; I45-W53 PolarHBondContact O-NE1 3.22Å; L46-W53 HydrophobicContact CD2-CH2 3.54Å; L46-W53 HydrophobicContact CD2-CZ2 3.39Å; L46-W53 HydrophobicContact CD2-CZ3 4.38Å; L46-W53 HydrophobicContact CG-CZ2 4.22Å; F49-W53 PolarHBondContact O-N 3.39Å; K50-W53 PolarHBondContact O-N 3.07Å; W53-I55 VanDerWaalsContact C-N 3.29Å; W53-I55 PolarHBondContact O-N 3.34Å; W53-V56 HydrophobicContact CE3-CB 4.12Å; W53-V56 HydrophobicContact CE3-CG1 4.1Å; W53-V56 HydrophobicContact CZ3-CB 4.47Å; W53-V56 HydrophobicContact CZ3-CG1 4.03Å; W53-V56 PolarHBondContact O-N 2.99Å; W53-N57 WeakPolarHBondContact O-CB 3.46Å; W53-N57 PolarHBondContact O-N 2.9Å; W53-N57 PolarHBondContact O-ND2 2.98Å; W53-N57 VanDerWaalsContact O-ND2 3.14Å
54N96.3Very high94.7Very high82 Ų82101.1 Ų101.144%0.43952%0.523SS..Hα-helixtrans-59.9-41171.1-75.5-9.2000111.4K50 G51 V52 N58K50-N54 WeakPolarHBondContact O-CB 3.39Å; K50-N54 PolarHBondContact O-N 2.94Å; K50-N54 PolarHBondContact O-OD1 2.85Å; G51-N54 PolarHBondContact O-N 2.71Å; V52-N54 VanDerWaalsContact C-N 3.31Å; V52-N54 PolarHBondContact O-N 3.26Å; N54-N58 PolarHBondContact O-N 3.49Å; N54-N58 PolarHBondContact O-ND2 2.83Å
55I95.7Very high94.5Very high116 Ų11699.8 Ų99.860%0.59553%0.525SS*.Hα-helixtrans-68.3-49.9177.6-62.2168000110.2G51 V52 W53 N57 N58 I59G51-I55 PolarHBondContact O-N 3.4Å; V52-I55 WeakPolarHBondContact O-CB 3.26Å; V52-I55 PolarHBondContact O-N 2.86Å; W53-I55 VanDerWaalsContact C-N 3.29Å; W53-I55 PolarHBondContact O-N 3.34Å; I55-N57 VanDerWaalsContact C-N 3.34Å; I55-N57 PolarHBondContact O-N 2.61Å; I55-N58 PolarHBondContact O-N 3.24Å; I55-N58 VanDerWaalsContact O-N 3.12Å; I55-I59 HydrophobicContact CG2-CD1 4.38Å
56V95.8Very high94.3Very high37 Ų37101.1 Ų101.122%0.22453%0.533CS..Hα-helixtrans-57.5-46.7-179.8175.40000111V52 W53 N58 I59 L62V52-V56 HydrophobicContact CG1-CG2 4.33Å; V52-V56 WeakPolarHBondContact O-CG2 3.26Å; V52-V56 PolarHBondContact O-N 3.32Å; W53-V56 HydrophobicContact CE3-CB 4.12Å; W53-V56 HydrophobicContact CE3-CG1 4.1Å; W53-V56 HydrophobicContact CZ3-CB 4.47Å; W53-V56 HydrophobicContact CZ3-CG1 4.03Å; W53-V56 PolarHBondContact O-N 2.99Å; V56-N58 PolarHBondContact O-N 3.08Å; V56-I59 PolarHBondContact O-N 3.33Å; V56-L62 HydrophobicContact CG1-CB 4.13Å
57N95.1Very high94.2Very high116 Ų116101.4 Ų101.462%0.6254%0.535SS*.Hα-helixtrans-69.3-14.2-178.7-66.7-20000114.1W53 I55 I59W53-N57 WeakPolarHBondContact O-CB 3.46Å; W53-N57 PolarHBondContact O-N 2.9Å; W53-N57 PolarHBondContact O-ND2 2.98Å; W53-N57 VanDerWaalsContact O-ND2 3.14Å; I55-N57 VanDerWaalsContact C-N 3.34Å; I55-N57 PolarHBondContact O-N 2.61Å; N57-I59 VanDerWaalsContact C-N 3.35Å
58N96.4Very high94Very high134 Ų134103 Ų10372%0.71754%0.539SS*.THydrogen-bonded Turntrans-89.8-2.1173.1-83.6-75.8000112.6N54 I55 V56N54-N58 PolarHBondContact O-N 3.49Å; N54-N58 PolarHBondContact O-ND2 2.83Å; I55-N58 PolarHBondContact O-N 3.24Å; I55-N58 VanDerWaalsContact O-N 3.12Å; V56-N58 PolarHBondContact O-N 3.08Å
59I96.2Very high93.9Very high55 Ų55102.6 Ų102.628%0.28254%0.541SS..SBendtrans-106104.2176.7-60.1170.9000107.5I55 V56 N57 F61 L62I55-I59 HydrophobicContact CG2-CD1 4.38Å; V56-I59 PolarHBondContact O-N 3.33Å; N57-I59 VanDerWaalsContact C-N 3.35Å; I59-F61 HydrophobicContact CG2-CD1 3.86Å; I59-F61 HydrophobicContact CG2-CD2 4.07Å; I59-F61 HydrophobicContact CG2-CE1 3.44Å; I59-F61 VanDerWaalsContact CG2-CE1 3.44Å; I59-F61 HydrophobicContact CG2-CE2 3.66Å; I59-F61 HydrophobicContact CG2-CG 4.16Å; I59-F61 HydrophobicContact CG2-CZ 3.33Å; I59-F61 PolarHBondContact O-N 3.14Å; I59-L62 HydrophobicContact CB-CB 4.46Å; I59-L62 HydrophobicContact CB-CD1 3.95Å; I59-L62 HydrophobicContact CB-CG 4.25Å; I59-L62 HydrophobicContact CD1-CD1 3.82Å; I59-L62 HydrophobicContact CG1-CD1 4.49Å; I59-L62 HydrophobicContact CG2-CB 4.36Å; I59-L62 HydrophobicContact CG2-CD1 3.8Å; I59-L62 HydrophobicContact CG2-CG 3.79Å; I59-L62 PolarHBondContact O-N 3.48Å
60P88.8Confident93.7Very high124 Ų124103.3 Ų103.381%0.80555%0.551SS**THydrogen-bonded Turntrans-68.1-7.9-164.724.9-34.9000115.9
61F90.2Very high93.6Very high172 Ų17298.8 Ų98.875%0.75454%0.54SS*.THydrogen-bonded Turntrans-110.63-178.559.3-99.5000113.7I59I59-F61 HydrophobicContact CG2-CD1 3.86Å; I59-F61 HydrophobicContact CG2-CD2 4.07Å; I59-F61 HydrophobicContact CG2-CE1 3.44Å; I59-F61 VanDerWaalsContact CG2-CE1 3.44Å; I59-F61 HydrophobicContact CG2-CE2 3.66Å; I59-F61 HydrophobicContact CG2-CG 4.16Å; I59-F61 HydrophobicContact CG2-CZ 3.33Å; I59-F61 PolarHBondContact O-N 3.14Å
62L80.5Confident93.5Very high146 Ų146103.2 Ų103.276%0.76454%0.542SS*.  trans-99.30170.3-68.3179.2000109.9V56 I59V56-L62 HydrophobicContact CG1-CB 4.13Å; I59-L62 HydrophobicContact CB-CB 4.46Å; I59-L62 HydrophobicContact CB-CD1 3.95Å; I59-L62 HydrophobicContact CB-CG 4.25Å; I59-L62 HydrophobicContact CD1-CD1 3.82Å; I59-L62 HydrophobicContact CG1-CD1 4.49Å; I59-L62 HydrophobicContact CG2-CB 4.36Å; I59-L62 HydrophobicContact CG2-CD1 3.8Å; I59-L62 HydrophobicContact CG2-CG 3.79Å; I59-L62 PolarHBondContact O-N 3.48Å

Retrieved 62 of 62 residues in 12.4 ms (Link to these results)