A0A087YH71_POEFO Loading...

Progonadoliberin

Stimulates the secretion of gonadotropins.

AlphaFold DB , UniProt , Accession A0A087YH71, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 89 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
1M61.1Low85.2Confident211 Ų211118.7 Ų118.7100%1.03963%0.628SS**  0-15.10-59.7176.188.200115.1S4M1-S4 PolarHBondContact O-OG 3.48Å
2K68.1Low86.1Confident184 Ų184118 Ų11880%0.862%0.623SS**Hα-helixtrans-77.3-38.2176.8-84.6175.1161.3110.40114.4S5 R6K2-S5 PolarHBondContact O-N 3.13Å; K2-R6 PolarHBondContact O-N 3.23Å
3A70.1Confident86.9Confident75 Ų75118.3 Ų118.362%0.6262%0.624SS**Hα-helixtrans-65.1-42.8179.600000112.2S5 R6 V7A3-S5 VanDerWaalsContact C-N 3.31Å; A3-S5 PolarHBondContact O-N 3.27Å; A3-R6 PolarHBondContact O-N 2.99Å; A3-V7 WeakPolarHBondContact O-CG2 3.34Å; A3-V7 PolarHBondContact O-N 3.4Å; A3-V7 VanDerWaalsContact O-N 3.13Å
4S84.9Confident87.5Confident77 Ų77118.3 Ų118.354%0.53862%0.624SS.*Hα-helixtrans-62.1-35.7175.949.30000113.1M1 V7 M8M1-S4 PolarHBondContact O-OG 3.48Å; S4-V7 PolarHBondContact O-N 3.01Å; S4-M8 WeakPolarHBondContact O-CB 3.42Å; S4-M8 PolarHBondContact O-N 2.94Å
5S88.2Confident88Confident59 Ų59114 Ų11441%0.41361%0.612SS.*Hα-helixtrans-65.4-41.4175168.20000112.3K2 A3 M8 V9K2-S5 PolarHBondContact O-N 3.13Å; A3-S5 VanDerWaalsContact C-N 3.31Å; A3-S5 PolarHBondContact O-N 3.27Å; S5-M8 PolarHBondContact O-N 3.28Å; S5-V9 WeakPolarHBondContact O-CG2 3.45Å; S5-V9 PolarHBondContact O-N 3.37Å; S5-V9 VanDerWaalsContact O-N 3.08Å
6R90.4Very high88.3Confident189 Ų189112.4 Ų112.471%0.71360%0.603SS**Hα-helixtrans-64.4-42.5176.9-67.3-177.8178.9-153.9-1.3112K2 A3 M8 V9 Q10K2-R6 PolarHBondContact O-N 3.23Å; A3-R6 PolarHBondContact O-N 2.99Å; R6-M8 VanDerWaalsContact C-N 3.35Å; R6-V9 PolarHBondContact O-N 3.07Å; R6-Q10 WeakPolarHBondContact O-CG 3.41Å; R6-Q10 PolarHBondContact O-N 3.33Å
7V94.2Very high88.4Confident83 Ų83112.3 Ų112.350%0.50360%0.601SS.*Hα-helixtrans-62-44176.5174.50000110.7A3 S4 V9 Q10 V11A3-V7 WeakPolarHBondContact O-CG2 3.34Å; A3-V7 PolarHBondContact O-N 3.4Å; A3-V7 VanDerWaalsContact O-N 3.13Å; S4-V7 PolarHBondContact O-N 3.01Å; V7-V9 VanDerWaalsContact C-N 3.34Å; V7-V9 PolarHBondContact O-N 3.36Å; V7-Q10 PolarHBondContact O-N 3.22Å; V7-V11 HydrophobicContact CG1-CG2 4.38Å; V7-V11 WeakPolarHBondContact O-CG2 3.38Å; V7-V11 PolarHBondContact O-N 3.41Å
8M93.6Very high88.3Confident129 Ų129109.1 Ų109.164%0.63559%0.593SS**Hα-helixtrans-60.4-42.2177.5-174.1176.86600112.4S4 S5 R6 V11 L12S4-M8 WeakPolarHBondContact O-CB 3.42Å; S4-M8 PolarHBondContact O-N 2.94Å; S5-M8 PolarHBondContact O-N 3.28Å; R6-M8 VanDerWaalsContact C-N 3.35Å; M8-V11 PolarHBondContact O-N 3.39Å; M8-L12 WeakPolarHBondContact O-CB 3.44Å; M8-L12 PolarHBondContact O-N 3.4Å
9V94.7Very high88.3Confident86 Ų86109.9 Ų109.952%0.52159%0.593SS.*Hα-helixtrans-65.3-40.5176.4173.60000111.5S5 R6 V7 L12 L13S5-V9 WeakPolarHBondContact O-CG2 3.45Å; S5-V9 PolarHBondContact O-N 3.37Å; S5-V9 VanDerWaalsContact O-N 3.08Å; R6-V9 PolarHBondContact O-N 3.07Å; V7-V9 VanDerWaalsContact C-N 3.34Å; V7-V9 PolarHBondContact O-N 3.36Å; V9-L12 PolarHBondContact O-N 3.47Å; V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 PolarHBondContact O-N 2.95Å
10Q95.4Very high88Confident123 Ų123107.9 Ų107.958%0.57558%0.584SS**Hα-helixtrans-64.2-44.8177.1-75.1176.5-26.900112.2R6 V7 L12 L13 L14R6-Q10 WeakPolarHBondContact O-CG 3.41Å; R6-Q10 PolarHBondContact O-N 3.33Å; V7-Q10 PolarHBondContact O-N 3.22Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 3.49Å; Q10-L13 PolarHBondContact O-N 3.34Å; Q10-L14 WeakPolarHBondContact O-CB 3.37Å; Q10-L14 WeakPolarHBondContact O-CG 3.49Å; Q10-L14 PolarHBondContact O-N 2.92Å
11V96.4Very high87.5Confident90 Ų90106.3 Ų106.355%0.54558%0.578SS.*Hα-helixtrans-62.6-42.2176.7172.80000110.7V7 M8 L14 A15V7-V11 HydrophobicContact CG1-CG2 4.38Å; V7-V11 WeakPolarHBondContact O-CG2 3.38Å; V7-V11 PolarHBondContact O-N 3.41Å; M8-V11 PolarHBondContact O-N 3.39Å; V11-L14 PolarHBondContact O-N 2.98Å; V11-A15 WeakPolarHBondContact O-CB 3.32Å; V11-A15 PolarHBondContact O-N 3.03Å
12L96.3Very high88.1Confident110 Ų110102.1 Ų102.158%0.57656%0.559SS**Hα-helixtrans-62-44.8176.7-17366.8000111.6M8 V9 Q10 A15 L16M8-L12 WeakPolarHBondContact O-CB 3.44Å; M8-L12 PolarHBondContact O-N 3.4Å; V9-L12 PolarHBondContact O-N 3.47Å; Q10-L12 VanDerWaalsContact C-N 3.32Å; Q10-L12 PolarHBondContact O-N 3.49Å; L12-A15 PolarHBondContact O-N 2.94Å; L12-L16 HydrophobicContact CG-CD1 4.05Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CD1 3.41Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.33Å
13L96.3Very high88.1Confident122 Ų12297 Ų9764%0.63955%0.546SS*.Hα-helixtrans-64.7-40.5179.1-162.273.1000112V9 Q10 L16 L17V9-L13 WeakPolarHBondContact O-CB 3.4Å; V9-L13 PolarHBondContact O-N 2.95Å; Q10-L13 PolarHBondContact O-N 3.34Å; L13-L16 PolarHBondContact O-N 3.08Å; L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 PolarHBondContact O-N 3.12Å
14L96.1Very high87.9Confident118 Ų118100.1 Ų100.162%0.61855%0.548SS*.Hα-helixtrans-64.3-43.7174.8-78.8165.8000112Q10 V11 L17 A18Q10-L14 WeakPolarHBondContact O-CB 3.37Å; Q10-L14 WeakPolarHBondContact O-CG 3.49Å; Q10-L14 PolarHBondContact O-N 2.92Å; V11-L14 PolarHBondContact O-N 2.98Å; L14-L17 PolarHBondContact O-N 3.33Å; L14-A18 WeakPolarHBondContact O-CB 3.39Å; L14-A18 PolarHBondContact O-N 2.88Å
15A94Very high86.8Confident54 Ų54102.3 Ų102.345%0.44655%0.549SS..Hα-helixtrans-63.1-42.8177.300000111.7V11 L12 A18 Q19V11-A15 WeakPolarHBondContact O-CB 3.32Å; V11-A15 PolarHBondContact O-N 3.03Å; L12-A15 PolarHBondContact O-N 2.94Å; A15-A18 PolarHBondContact O-N 2.93Å; A15-Q19 WeakPolarHBondContact O-CB 3.4Å; A15-Q19 PolarHBondContact O-N 2.92Å
16L93Very high85.4Confident88 Ų88109.8 Ų109.846%0.46157%0.568SS.*Hα-helixtrans-59.6-46.2174.5-79.2156.7000111.6L12 L13 Q19 V20L12-L16 HydrophobicContact CG-CD1 4.05Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CD1 3.41Å; L12-L16 WeakPolarHBondContact O-CG 3.37Å; L12-L16 PolarHBondContact O-N 3.33Å; L13-L16 PolarHBondContact O-N 3.08Å; L16-Q19 PolarHBondContact O-N 3.33Å; L16-V20 WeakPolarHBondContact O-CB 3.47Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 3.2Å
17L90.3Very high83.7Confident111 Ų111103.6 Ų103.658%0.58155%0.554SS**Hα-helixtrans-65.4-40.6178.8-173.761.9000112.1L13 L14 V20 T21L13-L17 WeakPolarHBondContact O-CB 3.4Å; L13-L17 PolarHBondContact O-N 3.12Å; L14-L17 PolarHBondContact O-N 3.33Å; L17-V20 PolarHBondContact O-N 2.93Å; L17-T21 WeakPolarHBondContact O-CG2 3.34Å; L17-T21 PolarHBondContact O-N 3.48Å; L17-T21 PolarHBondContact O-OG1 3.43Å
18A86.8Confident81.8Confident55 Ų55108.9 Ų108.946%0.45557%0.566SS.*Hα-helixtrans-63.2-44174.800000111.3L14 A15 V20 T21 L22L14-A18 WeakPolarHBondContact O-CB 3.39Å; L14-A18 PolarHBondContact O-N 2.88Å; A15-A18 PolarHBondContact O-N 2.93Å; A18-V20 PolarHBondContact O-N 3.42Å; A18-T21 WeakPolarHBondContact CA-OG1 3.19Å; A18-T21 PolarHBondContact O-N 3.5Å; A18-T21 PolarHBondContact O-OG1 2.86Å; A18-L22 WeakPolarHBondContact O-CB 3.32Å; A18-L22 PolarHBondContact O-N 3.37Å
19Q87.1Confident80Confident125 Ų125105.4 Ų105.458%0.58456%0.563SS**Hα-helixtrans-61.1-47.2176.2-175.4-178.5-24.600111.3A15 L16 T21 L22 C23A15-Q19 WeakPolarHBondContact O-CB 3.4Å; A15-Q19 PolarHBondContact O-N 2.92Å; L16-Q19 PolarHBondContact O-N 3.33Å; Q19-T21 PolarHBondContact O-N 2.96Å; Q19-L22 PolarHBondContact O-N 3.04Å; Q19-C23 VanDerWaalsContact O-CB 3.28Å; Q19-C23 WeakPolarHBondContact O-CB 3.37Å; Q19-C23 PolarHBondContact O-N 3.47Å; Q19-C23 PolarHBondContact O-SG 3.02Å
20V82.3Confident78Confident69 Ų69111.2 Ų111.242%0.41858%0.576SS.*Hα-helixtrans-61.5-43.7179.6168.80000111.5L16 L17 A18 C23 Q24L16-V20 WeakPolarHBondContact O-CB 3.47Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 3.2Å; L17-V20 PolarHBondContact O-N 2.93Å; A18-V20 PolarHBondContact O-N 3.42Å; V20-C23 PolarHBondContact O-N 2.96Å; V20-Q24 HydrophobicContact CG1-CG 4.48Å; V20-Q24 VanDerWaalsContact O-CB 3.32Å; V20-Q24 WeakPolarHBondContact O-CB 3.41Å; V20-Q24 WeakPolarHBondContact O-CG 3.46Å; V20-Q24 PolarHBondContact O-N 2.93Å
21T78.6Confident76.1Confident75 Ų75111.8 Ų111.846%0.4658%0.582SS.*Hα-helixtrans-69.7-37.1178.651.90000112.7L17 A18 Q19 Q24 H25L17-T21 WeakPolarHBondContact O-CG2 3.34Å; L17-T21 PolarHBondContact O-N 3.48Å; L17-T21 PolarHBondContact O-OG1 3.43Å; A18-T21 WeakPolarHBondContact CA-OG1 3.19Å; A18-T21 PolarHBondContact O-N 3.5Å; A18-T21 PolarHBondContact O-OG1 2.86Å; Q19-T21 PolarHBondContact O-N 2.96Å; T21-Q24 PolarHBondContact O-N 3.48Å; T21-H25 PolarHBondContact O-N 3.36Å
22L72.8Confident73.9Confident123 Ų123114 Ų11464%0.64460%0.599SS**Hα-helixtrans-69.9-38.1175.7-139.973.1000111.9A18 Q19 H25 W26A18-L22 WeakPolarHBondContact O-CB 3.32Å; A18-L22 PolarHBondContact O-N 3.37Å; Q19-L22 PolarHBondContact O-N 3.04Å; L22-H25 WeakPolarHBondContact O-CB 3.28Å; L22-H25 PolarHBondContact O-N 3.31Å; L22-W26 PolarHBondContact O-NE1 3.4Å
23C68Low72.3Confident77 Ų77112.3 Ų112.352%0.5261%0.608SS.*Hα-helixtrans-67.4-37.6172.4-700000111.8Q19 V20 H25 W26Q19-C23 VanDerWaalsContact O-CB 3.28Å; Q19-C23 WeakPolarHBondContact O-CB 3.37Å; Q19-C23 PolarHBondContact O-N 3.47Å; Q19-C23 PolarHBondContact O-SG 3.02Å; V20-C23 PolarHBondContact O-N 2.96Å; C23-H25 VanDerWaalsContact C-N 3.27Å; C23-H25 PolarHBondContact O-N 2.9Å; C23-W26 PolarHBondContact O-N 3.34Å
24Q66.1Low70.7Confident140 Ų140108.7 Ų108.765%0.65460%0.599SS**Hα-helixtrans-70.4-21.6174.3-75.6178.834.500113.2V20 T21 W26V20-Q24 HydrophobicContact CG1-CG 4.48Å; V20-Q24 VanDerWaalsContact O-CB 3.32Å; V20-Q24 WeakPolarHBondContact O-CB 3.41Å; V20-Q24 WeakPolarHBondContact O-CG 3.46Å; V20-Q24 PolarHBondContact O-N 2.93Å; T21-Q24 PolarHBondContact O-N 3.48Å; Q24-W26 PolarHBondContact O-N 2.99Å
25H62.2Low68.9Low122 Ų122113 Ų11357%0.56561%0.613SS**THydrogen-bonded Turntrans-68.2-21.1174.5-172.771000112.6T21 L22 C23 S27 Y28T21-H25 PolarHBondContact O-N 3.36Å; L22-H25 WeakPolarHBondContact O-CB 3.28Å; L22-H25 PolarHBondContact O-N 3.31Å; C23-H25 VanDerWaalsContact C-N 3.27Å; C23-H25 PolarHBondContact O-N 2.9Å; H25-S27 PolarHBondContact O-N 3.45Å; H25-Y28 AromaticContact ND1-CD2 3.99Å
26W59Low66.9Low217 Ų217120 Ų12082%0.82263%0.628SS**THydrogen-bonded Turntrans-78.970.9169-59.391000110.1L22 C23 Q24L22-W26 PolarHBondContact O-NE1 3.4Å; C23-W26 PolarHBondContact O-N 3.34Å; Q24-W26 PolarHBondContact O-N 2.99Å
27S54.9Low65.2Low58 Ų58118.8 Ų118.841%0.40663%0.627SS.*THydrogen-bonded Turntrans171.851.9138.2-1660000111.7H25 G29 W30H25-S27 PolarHBondContact O-N 3.45Å; S27-G29 PolarHBondContact O-N 3.49Å; S27-W30 WeakPolarHBondContact OG-CB 3.05Å; S27-W30 PolarHBondContact OG-N 2.88Å
28Y53.4Low63.4Low194 Ų194118 Ų11876%0.76163%0.626SS**THydrogen-bonded Turntrans-74.6-6.8155.2-79.7-79.9000111.9H25H25-Y28 AromaticContact ND1-CD2 3.99Å
29G55.6Low62Low56 Ų56117.9 Ų117.958%0.57763%0.631SS**THydrogen-bonded Turntrans-90.9-4.6177.300000115.7S27S27-G29 PolarHBondContact O-N 3.49Å
30W54.2Low60.5Low209 Ų209118.3 Ų118.379%0.79263%0.633SS**  trans-121.543.7-179.1-46.358.4000112.4S27S27-W30 WeakPolarHBondContact OG-CB 3.05Å; S27-W30 PolarHBondContact OG-N 2.88Å
31L54.8Low59.3Low135 Ų135120.5 Ų120.571%0.70764%0.641SS**SBendtrans-53.3138.7148.4-73.3159.4000107.7G33 G34L31-G33 VanDerWaalsContact C-N 3.32Å; L31-G33 PolarHBondContact O-N 2.85Å; L31-G34 PolarHBondContact O-N 3.36Å
32P51.1Low58.3Low137 Ų137121.6 Ų121.689%0.8964%0.642SS**THydrogen-bonded Turntrans-62.396.2174.724.8-30.7000108.2
33G62.4Low57.7Low74 Ų74118 Ų11876%0.76363%0.629SS**THydrogen-bonded Turntrans141.4-4.5-164.100000114.1L31 K35L31-G33 VanDerWaalsContact C-N 3.32Å; L31-G33 PolarHBondContact O-N 2.85Å; G33-K35 PolarHBondContact O-N 3.45Å
34G62.3Low57.1Low45 Ų45117.7 Ų117.746%0.46463%0.625SS.*SBendtrans-57.499.1169.200000110.6L31 R36L31-G34 PolarHBondContact O-N 3.36Å; G34-R36 VanDerWaalsContact C-N 3.3Å; G34-R36 PolarHBondContact O-N 2.97Å
35K57.5Low56.7Low209 Ų209116.3 Ų116.391%0.90962%0.621SS**  trans6.970.9172.8-76.1-177.2170.6-179.80114.4G33G33-K35 PolarHBondContact O-N 3.45Å
36R53.5Low56.6Low202 Ų202119.8 Ų119.876%0.76263%0.629SS**  trans-79.8121.3144.2-72.7-167.3177.993.62.3104.1G34 V38G34-R36 VanDerWaalsContact C-N 3.3Å; G34-R36 PolarHBondContact O-N 2.97Å; R36-V38 HydrophobicContact CB-CG2 3.4Å; R36-V38 VanDerWaalsContact CB-CG2 3.4Å; R36-V38 PolarHBondContact O-N 3.43Å
37S56.4Low56.3Low61 Ų61117.3 Ų117.343%0.42763%0.629SS.*  trans-65.261.7159.6-155.70000108.8G39 E40 L41S37-G39 PolarHBondContact O-N 2.84Å; S37-E40 VanDerWaalsContact CB-OE2 3.29Å; S37-E40 WeakPolarHBondContact CB-OE2 3.25Å; S37-E40 PolarHBondContact O-N 3.46Å; S37-E40 VanDerWaalsContact O-N 3.11Å; S37-E40 WeakPolarHBondContact OG-CB 3.29Å; S37-E40 VanDerWaalsContact OG-CG 3.26Å; S37-E40 WeakPolarHBondContact OG-CG 3.18Å; S37-E40 PolarHBondContact OG-N 3.19Å; S37-E40 PolarHBondContact OG-OE2 2.89Å; S37-L41 PolarHBondContact O-N 2.73Å
38V53.3Low56.2Low94 Ų94120.7 Ų120.757%0.5764%0.64SS**Hα-helixtrans-62.7-22.4171.1-173.60000108.8R36 E42R36-V38 HydrophobicContact CB-CG2 3.4Å; R36-V38 VanDerWaalsContact CB-CG2 3.4Å; R36-V38 PolarHBondContact O-N 3.43Å; V38-E42 VanDerWaalsContact O-CB 3.27Å; V38-E42 WeakPolarHBondContact O-CB 3.36Å; V38-E42 PolarHBondContact O-N 3.4Å
39G56.5Low56.4Low54 Ų54115.1 Ų115.156%0.55764%0.641SS**Hα-helixtrans-71-38.416900000114.7S37 A43S37-G39 PolarHBondContact O-N 2.84Å; G39-A43 WeakPolarHBondContact O-CB 3.41Å; G39-A43 PolarHBondContact O-N 3.49Å
40E55.1Low56.5Low133 Ų133118.8 Ų118.862%0.62165%0.653SS**Hα-helixtrans-76.3-36.1177.8-84.4173.5121.400112.6S37 T44S37-E40 VanDerWaalsContact CB-OE2 3.29Å; S37-E40 WeakPolarHBondContact CB-OE2 3.25Å; S37-E40 PolarHBondContact O-N 3.46Å; S37-E40 VanDerWaalsContact O-N 3.11Å; S37-E40 WeakPolarHBondContact OG-CB 3.29Å; S37-E40 VanDerWaalsContact OG-CG 3.26Å; S37-E40 WeakPolarHBondContact OG-CG 3.18Å; S37-E40 PolarHBondContact OG-N 3.19Å; S37-E40 PolarHBondContact OG-OE2 2.89Å; E40-T44 WeakPolarHBondContact O-CB 3.26Å; E40-T44 PolarHBondContact O-N 2.84Å; E40-T44 PolarHBondContact O-OG1 2.66Å
41L58.4Low56.7Low115 Ų115112.9 Ų112.960%0.60266%0.657SS**Hα-helixtrans-70.9-40.1177.9-175.260000111.2S37 T44 I45S37-L41 PolarHBondContact O-N 2.73Å; L41-T44 PolarHBondContact O-N 3.28Å; L41-I45 HydrophobicContact CD1-CD1 4.13Å; L41-I45 HydrophobicContact CD1-CG1 4.35Å; L41-I45 HydrophobicContact CG-CD1 3.9Å; L41-I45 WeakPolarHBondContact O-CB 3.13Å; L41-I45 WeakPolarHBondContact O-CD1 3.35Å; L41-I45 WeakPolarHBondContact O-CG1 3.2Å; L41-I45 PolarHBondContact O-N 2.59Å
42E57.8Low56.2Low99 Ų99109.9 Ų109.946%0.46366%0.658SS.*Hα-helixtrans-66.1-41.5173.8-165.4-161.6157.300111.8V38 I45 R46V38-E42 VanDerWaalsContact O-CB 3.27Å; V38-E42 WeakPolarHBondContact O-CB 3.36Å; V38-E42 PolarHBondContact O-N 3.4Å; E42-I45 PolarHBondContact O-N 2.8Å; E42-R46 WeakPolarHBondContact O-CB 3.24Å; E42-R46 WeakPolarHBondContact O-CG 3.14Å; E42-R46 PolarHBondContact O-N 2.86Å; E42-R46 IonicContact OE1-CZ 3.43Å; E42-R46 IonicContact OE1-NE 3.81Å; E42-R46 PolarHBondContact OE1-NE 2.82Å; E42-R46 IonicContact OE1-NH2 2.86Å; E42-R46 PolarHBondContact OE1-NH2 3.42Å
43A58.8Low56.4Low46 Ų46109.8 Ų109.838%0.3866%0.655SS.*Hα-helixtrans-66.6-37175.600000112.4G39 R46 M47G39-A43 WeakPolarHBondContact O-CB 3.41Å; G39-A43 PolarHBondContact O-N 3.49Å; A43-R46 PolarHBondContact O-N 2.92Å; A43-M47 VanDerWaalsContact O-CB 3.25Å; A43-M47 WeakPolarHBondContact O-CB 3.48Å; A43-M47 VanDerWaalsContact O-CG 3.24Å; A43-M47 WeakPolarHBondContact O-CG 3.44Å; A43-M47 PolarHBondContact O-N 2.97Å
44T56.7Low55.4Low71 Ų71113.2 Ų113.244%0.43666%0.661SS.*Hα-helixtrans-68-39.6175.1-57.70000111.2E40 L41 M47 M48E40-T44 WeakPolarHBondContact O-CB 3.26Å; E40-T44 PolarHBondContact O-N 2.84Å; E40-T44 PolarHBondContact O-OG1 2.66Å; L41-T44 PolarHBondContact O-N 3.28Å; T44-M47 PolarHBondContact O-N 2.72Å; T44-M48 HydrophobicContact CG2-SD 4.22Å; T44-M48 WeakPolarHBondContact O-CG 3.27Å; T44-M48 PolarHBondContact O-N 2.79Å
45I57.6Low54.5Low112 Ų112115.8 Ų115.857%0.57467%0.671SS**Hα-helixtrans-66.2-39.8175.1-68.7163.9000111.2L41 E42 M47L41-I45 HydrophobicContact CD1-CD1 4.13Å; L41-I45 HydrophobicContact CD1-CG1 4.35Å; L41-I45 HydrophobicContact CG-CD1 3.9Å; L41-I45 WeakPolarHBondContact O-CB 3.13Å; L41-I45 WeakPolarHBondContact O-CD1 3.35Å; L41-I45 WeakPolarHBondContact O-CG1 3.2Å; L41-I45 PolarHBondContact O-N 2.59Å; E42-I45 PolarHBondContact O-N 2.8Å; I45-M47 VanDerWaalsContact C-N 3.35Å
46R59.5Low54.4Low195 Ų195113.4 Ų113.474%0.73667%0.668SS**Hα-helixtrans-71.8-25.8174.6-73.3179.3178.5-101.23.1113.4E42 A43E42-R46 WeakPolarHBondContact O-CB 3.24Å; E42-R46 WeakPolarHBondContact O-CG 3.14Å; E42-R46 PolarHBondContact O-N 2.86Å; E42-R46 IonicContact OE1-CZ 3.43Å; E42-R46 IonicContact OE1-NE 3.81Å; E42-R46 PolarHBondContact OE1-NE 2.82Å; E42-R46 IonicContact OE1-NH2 2.86Å; E42-R46 PolarHBondContact OE1-NH2 3.42Å; A43-R46 PolarHBondContact O-N 2.92Å
47M53.1Low53.9Low164 Ų164109 Ų10981%0.80867%0.666SS**Hα-helixtrans-87.5-21.1177.8-77.5-175.961.800114.1A43 T44 I45 G49A43-M47 VanDerWaalsContact O-CB 3.25Å; A43-M47 WeakPolarHBondContact O-CB 3.48Å; A43-M47 VanDerWaalsContact O-CG 3.24Å; A43-M47 WeakPolarHBondContact O-CG 3.44Å; A43-M47 PolarHBondContact O-N 2.97Å; T44-M47 PolarHBondContact O-N 2.72Å; I45-M47 VanDerWaalsContact C-N 3.35Å; M47-G49 VanDerWaalsContact C-N 3.3Å; M47-G49 PolarHBondContact O-N 3.11Å
48M52.5Low53.1Low130 Ų130113.5 Ų113.564%0.6468%0.68SS**SBendtrans-78.782.8166.9-68.3176.999.500108.3T44 T50T44-M48 HydrophobicContact CG2-SD 4.22Å; T44-M48 WeakPolarHBondContact O-CG 3.27Å; T44-M48 PolarHBondContact O-N 2.79Å; M48-T50 VanDerWaalsContact C-N 3.31Å; M48-T50 PolarHBondContact O-N 3.2Å
49G58.3Low52.6Low77 Ų77117 Ų11779%0.79469%0.69SS**  trans-6179.8-176.600000114.7M47M47-G49 VanDerWaalsContact C-N 3.3Å; M47-G49 PolarHBondContact O-N 3.11Å
50T57.5Low51.5Low133 Ų133119 Ų11982%0.81670%0.701SS**  trans-108.790.7163.1530000108.4M48M48-T50 VanDerWaalsContact C-N 3.31Å; M48-T50 PolarHBondContact O-N 3.2Å
51G57.3Low50.9Low85 Ų85117.8 Ų117.888%0.87671%0.707SS**  trans-63.1147.1173.100000112.4
52G45.6Very low50.2Low71 Ų71116.8 Ų116.873%0.73272%0.716SS**  trans167.477.4173.900000114.2
53V54.1Low49.3Very low136 Ų136120.9 Ų120.982%0.82474%0.735SS**  trans19.7109.8146.9-178.60000117
54V42.2Very low48.3Very low146 Ų146124 Ų12489%0.88575%0.749SS**  trans-142.6129.1141.7-175.60000109.1
55S42Very low47.7Very low98 Ų98130 Ų13069%0.68577%0.772SS**  trans-67.3146.7-161-40.40000116.1
56L56.6Low46.8Very low160 Ų160131.8 Ų131.884%0.83878%0.778SS**  trans-59.2138.8153.1-173.170.1000109.7
57P43.5Very low46.7Very low110 Ų110133 Ų13371%0.71478%0.783SS**  -130.7127.2122.826.1-10.1000110
58E39.1Very low46.2Very low155 Ų155131.4 Ų131.472%0.72478%0.777SS**  68.7100.292.5-164.886.8160.400111.9
59E42.7Very low46Very low167 Ų167134.7 Ų134.778%0.7878%0.782SS**  trans48106.1148.2-61.6-65.4114.800120.2
60A33.2Very low45.5Very low96 Ų96136.6 Ų136.679%0.79378%0.78SS**  trans-148.580.4143.700000109.9
61S42Very low44.9Very low108 Ų108138.6 Ų138.676%0.75578%0.78SS**  trans32.6127.6139.554.50000120.3
62A44.9Very low44.6Very low94 Ų94141.7 Ų141.778%0.77778%0.777SS**  trans7988.8146.900000117.7
63Q39Very low45Very low184 Ų184145.3 Ų145.386%0.8678%0.778SS**  -160.9103.2117.5-126.2167.6-4.600112.5
64T36.4Very low44.6Very low111 Ų111145.5 Ų145.568%0.68177%0.774SS**  trans57.480.1135.6-43.50000116.5E66T64-E66 HydrophobicContact CG2-CB 3.99Å; T64-E66 PolarHBondContact O-N 3.03Å
65Q44.9Very low45.1Very low198 Ų198145.6 Ų145.693%0.92577%0.77SS**  trans-55.187.4140.7-175.7-171.21900109.6
66E38.8Very low45.3Very low150 Ų150143.8 Ų143.870%0.70177%0.767SS**  trans-116.195.7156.6-153.9-169.7160.700110.5T64 L68T64-E66 HydrophobicContact CG2-CB 3.99Å; T64-E66 PolarHBondContact O-N 3.03Å; E66-L68 HydrophobicContact CG-CD1 4.32Å; E66-L68 PolarHBondContact O-N 2.93Å; E66-L68 VanDerWaalsContact OE1-CD1 3.23Å; E66-L68 WeakPolarHBondContact OE1-CD1 3.23Å
67R57.3Low45.2Very low221 Ų221141.8 Ų141.883%0.83477%0.766SS**  trans-53.5109.5163.4173.2-170.3-170.6163.33110.7
68L42.2Very low45.5Very low129 Ų129141.3 Ų141.368%0.67577%0.765SS**  trans-151.596.9157.5-104.5123.2000114.7E66E66-L68 HydrophobicContact CG-CD1 4.32Å; E66-L68 PolarHBondContact O-N 2.93Å; E66-L68 VanDerWaalsContact OE1-CD1 3.23Å; E66-L68 WeakPolarHBondContact OE1-CD1 3.23Å
69R47.5Very low46.1Very low199 Ų199140.7 Ų140.775%0.75176%0.762SS**  trans55.7135146.1-66.9-73.6159.8-179.6-2.7120.8H71R69-H71 PolarHBondContact O-N 3.29Å; R69-H71 PolarHBondContact O-ND1 2.91Å
70P49.1Very low46.3Very low117 Ų117142.9 Ų142.976%0.7677%0.769SS**  trans-63.6120.2166.714.5-9.6000109.3N72P70-N72 PolarHBondContact O-N 3.12Å
71H43.5Very low47.1Very low175 Ų175143.8 Ų143.881%0.8176%0.761SS**  trans-69.8110.1169.5-81.753.7000107.9R69 I73R69-H71 PolarHBondContact O-N 3.29Å; R69-H71 PolarHBondContact O-ND1 2.91Å; H71-I73 PolarHBondContact O-N 3.19Å; H71-I73 VanDerWaalsContact O-N 3.12Å
72N51.7Low47.8Very low151 Ų151149.6 Ų149.681%0.80777%0.766SS**  trans-61.7109.3170.4-162.1-22.6000107P70 N74P70-N72 PolarHBondContact O-N 3.12Å; N72-N74 PolarHBondContact O-N 3.43Å
73I53.8Low47.8Very low147 Ų147150.7 Ų150.775%0.75476%0.759SS**  trans-7089171.3-58.5174.8000105H71 D75H71-I73 PolarHBondContact O-N 3.19Å; H71-I73 VanDerWaalsContact O-N 3.12Å; I73-D75 PolarHBondContact O-N 2.89Å
74N46.9Very low48.7Very low140 Ų140151.3 Ų151.375%0.74976%0.759SS**  trans-59.1104.7168.2-179.436.9000106.6N72 G76N72-N74 PolarHBondContact O-N 3.43Å; N74-G76 PolarHBondContact O-N 2.92Å
75D52.7Low49.4Very low148 Ų148155.8 Ų155.879%0.79176%0.763SS**  trans-58.879.3168.2-99.5-31.4000108.8I73 S77I73-D75 PolarHBondContact O-N 2.89Å; D75-S77 PolarHBondContact O-N 3.38Å
76G45.9Very low49.9Very low60 Ų60155.4 Ų155.462%0.61976%0.759SS**  trans-74.464.9166.800000109.3N74 S78N74-G76 PolarHBondContact O-N 2.92Å; G76-S78 PolarHBondContact O-N 3.21Å
77S53.9Low50.4Low118 Ų118157 Ų15783%0.82577%0.771SS**  trans-63.479.9160.2174.80000108.1D75D75-S77 PolarHBondContact O-N 3.38Å
78S49.5Very low50Low99 Ų99153.8 Ų153.869%0.69277%0.771SS**  trans-108.584.2164.966.60000108.8G76 F80G76-S78 PolarHBondContact O-N 3.21Å; S78-F80 PolarHBondContact O-N 3.05Å
79H51.2Low50.1Low142 Ų142160.7 Ų160.766%0.65780%0.795SS**  61.963.5120.5-157.2-86.6000115.4D81H79-D81 IonicContact CE1-OD2 3.39Å; H79-D81 PolarHBondContact CE1-OD2 3.19Å; H79-D81 IonicContact ND1-OD2 3.04Å; H79-D81 IonicContact NE2-OD2 3.66Å; H79-D81 PolarHBondContact NE2-OD2 3.49Å; H79-D81 PolarHBondContact O-N 2.76Å
80F48.7Very low50.3Low213 Ų213158.8 Ų158.893%0.93480%0.797SS**  trans-75.784.9152.1-98.5-83.1000108.1S78 R82S78-F80 PolarHBondContact O-N 3.05Å; F80-R82 PolarHBondContact O-N 3.39Å
81D50.1Low50.3Low115 Ų115160.9 Ų160.962%0.61580%0.799SS**  trans-61.7121.7176.8-141.5-26000109.6H79 N83H79-D81 IonicContact CE1-OD2 3.39Å; H79-D81 PolarHBondContact CE1-OD2 3.19Å; H79-D81 IonicContact ND1-OD2 3.04Å; H79-D81 IonicContact NE2-OD2 3.66Å; H79-D81 PolarHBondContact NE2-OD2 3.49Å; H79-D81 PolarHBondContact O-N 2.76Å; D81-N83 PolarHBondContact O-N 3.04Å; D81-N83 VanDerWaalsContact O-N 3.12Å
82R54.9Low50.7Low231 Ų231160.2 Ų160.287%0.87280%0.799SS**  trans-76.794.4-178174.8-174.8171-169.9-1.6107.3F80F80-R82 PolarHBondContact O-N 3.39Å
83N45.3Very low50.7Low116 Ų116160.7 Ų160.762%0.6280%0.798SS**  trans-130.764.8166.3-134.89.2000112.4D81 R85D81-N83 PolarHBondContact O-N 3.04Å; D81-N83 VanDerWaalsContact O-N 3.12Å; N83-R85 PolarHBondContact OD1-NE 3.3Å
84K58.2Low50.5Low198 Ų198161.6 Ų161.686%0.86180%0.801SS**  trans-95.675.5146-71.6-175-178.3174.90107.6
85R52.2Low50.7Low204 Ų204163 Ų16377%0.7780%0.804SS**  trans-98.5104.1162.1-83.9-173.1-78.7-153.2-2.1107.8N83N83-R85 PolarHBondContact OD1-NE 3.3Å
86F54.6Low50.6Low191 Ų191164.1 Ų164.184%0.83881%0.805SS**  trans-6.2119.7163.9-58.3-86.5000116.1N88F86-N88 PolarHBondContact O-N 2.97Å
87L49.9Very low50.9Low183 Ų183172.1 Ų172.196%0.95882%0.819SS**  trans-56.4114.1151.2-171.779.3000108.1
88N48.2Very low50.7Low154 Ų154176.6 Ų176.682%0.82482%0.819SS**  trans-151.3125.8156.3-143.7-31.6000111.1F86F86-N88 PolarHBondContact O-N 2.97Å
89K45.4Very low50.8Low273 Ų273183.6 Ų183.6100%1.18783%0.831SS**  trans85.80175.8-144.6169.4-173.2176.90118.1

Retrieved 89 of 89 residues in 54.5 ms (Link to these results)