G4VR52_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession G4VR52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 66 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
1M42.9Very low50.4Low211 Ų211137.9 Ų137.9100%1.03967%0.669SS**  0115.90-70.4-176.5-178.800108.1
2R35.9Very low51.3Low250 Ų250135.2 Ų135.294%0.94365%0.652SS**  trans-84.5113.9173.5-76.6-179.3167.8176.2-3.9107.8I4R2-I4 PolarHBondContact O-N 3.42Å
3C37.3Very low52.2Low113 Ų113128.2 Ų128.276%0.76463%0.626SS**  trans-64.8121.1173-64.40000108.7F5C3-F5 PolarHBondContact O-N 3.22Å
4I52.6Low53.2Low142 Ų142121.4 Ų121.473%0.72859%0.593SS**  trans-73107.3172.1-59.2172000106.2R2 I6R2-I4 PolarHBondContact O-N 3.42Å; I4-I6 VanDerWaalsContact C-N 3.3Å; I4-I6 HydrophobicContact CG2-CG1 3.8Å; I4-I6 PolarHBondContact O-N 3.23Å
5F46.9Very low54Low192 Ų192118.9 Ų118.984%0.84259%0.588SS**  trans-72.290.7168.1-100.9-91.2000107.8C3 T7C3-F5 PolarHBondContact O-N 3.22Å; F5-T7 PolarHBondContact O-N 3.45Å
6I55Low54.6Low64 Ų64112.4 Ų112.433%0.32856%0.557SS.*  trans-72.3111.8171.8-55.5178.6000106.3I4 E10 Q11 I14I4-I6 VanDerWaalsContact C-N 3.3Å; I4-I6 HydrophobicContact CG2-CG1 3.8Å; I4-I6 PolarHBondContact O-N 3.23Å; I6-E10 HydrophobicContact CG2-CB 3.38Å; I6-Q11 HydrophobicContact CB-CG 4.08Å; I6-Q11 HydrophobicContact CG2-CB 4.37Å; I6-Q11 HydrophobicContact CG2-CG 3.52Å; I6-Q11 PolarHBondContact O-NE2 3.32Å; I6-I14 HydrophobicContact CD1-CD1 4.27Å; I6-I14 HydrophobicContact CG2-CD1 4.03Å
7T57.2Low55.4Low78 Ų78106.1 Ų106.148%0.47953%0.527SS..  trans-60.8153.4176.256.30000110.2F5 Y9 E10 Q11F5-T7 PolarHBondContact O-N 3.45Å; T7-Y9 PolarHBondContact O-N 2.8Å; T7-E10 PolarHBondContact N-OE2 2.96Å; T7-E10 VanDerWaalsContact N-OE2 3.11Å; T7-E10 WeakPolarHBondContact O-CA 3.34Å; T7-E10 WeakPolarHBondContact O-CB 3.11Å; T7-E10 PolarHBondContact O-N 3.5Å; T7-E10 WeakPolarHBondContact OG1-CG 3.28Å; T7-E10 PolarHBondContact OG1-OE2 3.25Å; T7-Q11 PolarHBondContact O-N 3.48Å
8V55.5Low56.1Low119 Ų119104.2 Ų104.272%0.72152%0.518SS*.Hα-helixtrans-52.4-34.7179.3178.50000111.4Q11 F12V8-Q11 PolarHBondContact O-N 2.95Å; V8-F12 WeakPolarHBondContact O-CB 3.36Å; V8-F12 PolarHBondContact O-N 2.94Å
9Y55.5Low56.5Low150 Ų150102 Ų10259%0.58851%0.514SS*.Hα-helixtrans-64-41.3174.9-173.5-95.2000113.2T7 S13T7-Y9 PolarHBondContact O-N 2.8Å; Y9-S13 WeakPolarHBondContact O-CB 3.35Å; Y9-S13 PolarHBondContact O-N 2.85Å; Y9-S13 PolarHBondContact O-OG 3.16Å
10E56.4Low56.9Low91 Ų9197.7 Ų97.743%0.42549%0.492SS..Hα-helixtrans-70.9-39176.1-71.8177.1110.300111.5I6 T7 F12 S13 I14I6-E10 HydrophobicContact CG2-CB 3.38Å; T7-E10 PolarHBondContact N-OE2 2.96Å; T7-E10 VanDerWaalsContact N-OE2 3.11Å; T7-E10 WeakPolarHBondContact O-CA 3.34Å; T7-E10 WeakPolarHBondContact O-CB 3.11Å; T7-E10 PolarHBondContact O-N 3.5Å; T7-E10 WeakPolarHBondContact OG1-CG 3.28Å; T7-E10 PolarHBondContact OG1-OE2 3.25Å; E10-F12 VanDerWaalsContact C-N 3.31Å; E10-F12 PolarHBondContact O-N 3.35Å; E10-S13 PolarHBondContact O-N 3.47Å; E10-I14 WeakPolarHBondContact O-CB 3.39Å; E10-I14 WeakPolarHBondContact O-CD1 3.17Å; E10-I14 WeakPolarHBondContact O-CG1 3.27Å; E10-I14 PolarHBondContact O-N 3.41Å
11Q58.6Low57.3Low107 Ų10797.1 Ų97.150%0.549%0.489SS..Hα-helixtrans-60.1-43.8173.4-65.3-173900111.2I6 T7 V8 I14 T15I6-Q11 HydrophobicContact CB-CG 4.08Å; I6-Q11 HydrophobicContact CG2-CB 4.37Å; I6-Q11 HydrophobicContact CG2-CG 3.52Å; I6-Q11 PolarHBondContact O-NE2 3.32Å; T7-Q11 PolarHBondContact O-N 3.48Å; V8-Q11 PolarHBondContact O-N 2.95Å; Q11-I14 PolarHBondContact O-N 2.86Å; Q11-T15 WeakPolarHBondContact O-CB 3.3Å; Q11-T15 PolarHBondContact O-N 2.8Å; Q11-T15 PolarHBondContact O-OG1 3.5Å
12F61.7Low58.5Low105 Ų10593 Ų9346%0.46147%0.47SS..Hα-helixtrans-62.6-43.7175.6-169.9-96.4000111.5V8 E10 I14 T15 C16 S31V8-F12 WeakPolarHBondContact O-CB 3.36Å; V8-F12 PolarHBondContact O-N 2.94Å; E10-F12 VanDerWaalsContact C-N 3.31Å; E10-F12 PolarHBondContact O-N 3.35Å; F12-I14 PolarHBondContact O-N 3.39Å; F12-T15 PolarHBondContact O-N 2.79Å; F12-C16 WeakPolarHBondContact O-CB 3.36Å; F12-C16 PolarHBondContact O-N 3.32Å; F12-S31 WeakPolarHBondContact CZ-O 3.47Å
13S63.6Low59.7Low45 Ų4584.4 Ų84.432%0.31544%0.443SS..Hα-helixtrans-64.4-39.7178.6-61.50000112.6Y9 E10 C17Y9-S13 WeakPolarHBondContact O-CB 3.35Å; Y9-S13 PolarHBondContact O-N 2.85Å; Y9-S13 PolarHBondContact O-OG 3.16Å; E10-S13 PolarHBondContact O-N 3.47Å; S13-C17 VanDerWaalsContact O-CB 3.29Å; S13-C17 WeakPolarHBondContact O-CB 3.46Å; S13-C17 PolarHBondContact O-N 3.07Å
14I65.2Low60.7Low32 Ų3283.2 Ų83.216%0.16443%0.434CS..Hα-helixtrans-66.6-48.5175.7-67.1164.8000110.2I6 E10 Q11 F12 C16 C17 I18 L51I6-I14 HydrophobicContact CD1-CD1 4.27Å; I6-I14 HydrophobicContact CG2-CD1 4.03Å; E10-I14 WeakPolarHBondContact O-CB 3.39Å; E10-I14 WeakPolarHBondContact O-CD1 3.17Å; E10-I14 WeakPolarHBondContact O-CG1 3.27Å; E10-I14 PolarHBondContact O-N 3.41Å; Q11-I14 PolarHBondContact O-N 2.86Å; F12-I14 PolarHBondContact O-N 3.39Å; I14-C16 VanDerWaalsContact C-N 3.28Å; I14-C16 PolarHBondContact O-N 2.76Å; I14-C17 PolarHBondContact O-N 3.17Å; I14-I18 HydrophobicContact CG2-CD1 3.63Å; I14-I18 HydrophobicContact CG2-CG1 4.26Å; I14-I18 WeakPolarHBondContact O-CB 3.37Å; I14-I18 VanDerWaalsContact O-CG1 3.31Å; I14-I18 WeakPolarHBondContact O-CG1 3.41Å; I14-I18 PolarHBondContact O-N 2.92Å; I14-L51 HydrophobicContact CD1-CD2 3.64Å; I14-L51 HydrophobicContact CG1-CD2 3.62Å
15T65.5Low61Low85 Ų8584 Ų8452%0.52144%0.439SS..Hα-helixtrans-61.1-41.5179.5-54.80000111.2Q11 F12 S19Q11-T15 WeakPolarHBondContact O-CB 3.3Å; Q11-T15 PolarHBondContact O-N 2.8Å; Q11-T15 PolarHBondContact O-OG1 3.5Å; F12-T15 PolarHBondContact O-N 2.79Å; T15-S19 VanDerWaalsContact O-CB 3.32Å; T15-S19 WeakPolarHBondContact O-CB 3.46Å; T15-S19 PolarHBondContact O-N 3.02Å; T15-S19 PolarHBondContact O-OG 3.49Å
16C64.4Low61.4Low14 Ų1482.3 Ų82.310%0.09543%0.432CS..Hα-helixtrans-62.2-46.2175.7-175.90000111.7F12 I14 S19 Q20 C32F12-C16 WeakPolarHBondContact O-CB 3.36Å; F12-C16 PolarHBondContact O-N 3.32Å; I14-C16 VanDerWaalsContact C-N 3.28Å; I14-C16 PolarHBondContact O-N 2.76Å; C16-S19 WeakPolarHBondContact O-CB 3.46Å; C16-S19 PolarHBondContact O-N 3.19Å; C16-Q20 VanDerWaalsContact O-CG 3.3Å; C16-Q20 WeakPolarHBondContact O-CG 3.41Å; C16-Q20 PolarHBondContact O-N 2.81Å; C16-C32 WeakPolarHBondContact CA-SG 3.28Å; C16-C32 HydrophobicContact CB-CB 4.32Å; C16-C32 WeakPolarHBondContact CB-SG 3.46Å; C16-C32 VanDerWaalsContact SG-CA 3.57Å; C16-C32 WeakPolarHBondContact SG-CB 3.39Å; C16-C32 CovalentContact SG-SG 2.02Å; C16-C32 PolarHBondContact SG-SG 2.96Å
17C67Low61.3Low6 Ų680.5 Ų80.54%0.04142%0.424CS..Hα-helixtrans-66.2-44.8177.1169.20000113.2S13 I14 S19 Q20 I21 C48S13-C17 VanDerWaalsContact O-CB 3.29Å; S13-C17 WeakPolarHBondContact O-CB 3.46Å; S13-C17 PolarHBondContact O-N 3.07Å; I14-C17 PolarHBondContact O-N 3.17Å; C17-S19 PolarHBondContact O-N 3.38Å; C17-Q20 WeakPolarHBondContact O-CB 3.3Å; C17-Q20 PolarHBondContact O-N 3Å; C17-Q20 VanDerWaalsContact O-N 3.08Å; C17-I21 WeakPolarHBondContact O-CG1 3.41Å; C17-I21 PolarHBondContact O-N 3.31Å; C17-C48 HydrophobicContact CB-CB 3.51Å; C17-C48 WeakPolarHBondContact CB-SG 3.45Å; C17-C48 WeakPolarHBondContact SG-CB 3.27Å; C17-C48 CovalentContact SG-SG 1.97Å; C17-C48 PolarHBondContact SG-SG 3.1Å
18I68.1Low61Low71 Ų7184.3 Ų84.336%0.36444%0.441SS..Hα-helixtrans-58.7-42.7176.5-70.3170.9000109.4I14 Q20 I21 I22 I52I14-I18 HydrophobicContact CG2-CD1 3.63Å; I14-I18 HydrophobicContact CG2-CG1 4.26Å; I14-I18 WeakPolarHBondContact O-CB 3.37Å; I14-I18 VanDerWaalsContact O-CG1 3.31Å; I14-I18 WeakPolarHBondContact O-CG1 3.41Å; I14-I18 PolarHBondContact O-N 2.92Å; I18-Q20 VanDerWaalsContact C-N 3.31Å; I18-Q20 PolarHBondContact O-N 2.86Å; I18-I21 PolarHBondContact O-N 3.36Å; I18-I22 HydrophobicContact CG2-CD1 3.5Å; I18-I22 VanDerWaalsContact CG2-CD1 3.5Å; I18-I22 HydrophobicContact CG2-CG1 4.24Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.45Å; I18-I22 PolarHBondContact O-N 3.3Å; I18-I52 HydrophobicContact CG1-CD1 4.1Å
19S64.9Low60.7Low63 Ų6385.3 Ų85.344%0.44144%0.438SS..Hα-helixtrans-61-37.9176-61.10000112.6T15 C16 C17 N23T15-S19 VanDerWaalsContact O-CB 3.32Å; T15-S19 WeakPolarHBondContact O-CB 3.46Å; T15-S19 PolarHBondContact O-N 3.02Å; T15-S19 PolarHBondContact O-OG 3.49Å; C16-S19 WeakPolarHBondContact O-CB 3.46Å; C16-S19 PolarHBondContact O-N 3.19Å; C17-S19 PolarHBondContact O-N 3.38Å; S19-N23 PolarHBondContact O-N 2.81Å
20Q64.2Low60.4Low16 Ų1687.7 Ų87.78%0.07545%0.451CS..Hα-helixtrans-69.3-35.9175.3-72.4170.23.300113.3C16 C17 I18 P24 V27 Y41 L45C16-Q20 VanDerWaalsContact O-CG 3.3Å; C16-Q20 WeakPolarHBondContact O-CG 3.41Å; C16-Q20 PolarHBondContact O-N 2.81Å; C17-Q20 WeakPolarHBondContact O-CB 3.3Å; C17-Q20 PolarHBondContact O-N 3Å; C17-Q20 VanDerWaalsContact O-N 3.08Å; I18-Q20 VanDerWaalsContact C-N 3.31Å; I18-Q20 PolarHBondContact O-N 2.86Å; Q20-P24 VanDerWaalsContact O-CA 3.3Å; Q20-P24 WeakPolarHBondContact O-CA 3.41Å; Q20-V27 HydrophobicContact CB-CG2 4.2Å; Q20-V27 HydrophobicContact CG-CB 4.36Å; Q20-V27 HydrophobicContact CG-CG1 3.62Å; Q20-V27 HydrophobicContact CG-CG2 3.75Å; Q20-Y41 HydrophobicContact CG-CE2 4.39Å; Q20-Y41 WeakPolarHBondContact CG-OH 3.47Å; Q20-Y41 VanDerWaalsContact OE1-CE2 3.23Å; Q20-Y41 VanDerWaalsContact OE1-CZ 3.26Å; Q20-Y41 PolarHBondContact OE1-OH 3Å; Q20-Y41 VanDerWaalsContact OE1-OH 3.12Å; Q20-L45 HydrophobicContact CB-CD1 4.11Å
21I65Low60.3Low86 Ų8686.8 Ų86.844%0.44146%0.455SS..Hα-helixtrans-71.6-44.3177.4-67.1167.5000110.8C17 I18 N23 I52C17-I21 WeakPolarHBondContact O-CG1 3.41Å; C17-I21 PolarHBondContact O-N 3.31Å; I18-I21 PolarHBondContact O-N 3.36Å; I21-N23 VanDerWaalsContact C-N 3.34Å; I21-I52 HydrophobicContact CD1-CD1 3.49Å; I21-I52 VanDerWaalsContact CD1-CD1 3.49Å
22I66.8Low60Low124 Ų12483.6 Ų83.664%0.63644%0.444SS*.Hα-helixtrans-70.2-35.2-178.1-65.9171.2000110.9I18I18-I22 HydrophobicContact CG2-CD1 3.5Å; I18-I22 VanDerWaalsContact CG2-CD1 3.5Å; I18-I22 HydrophobicContact CG2-CG1 4.24Å; I18-I22 VanDerWaalsContact O-CG1 3.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.45Å; I18-I22 PolarHBondContact O-N 3.3Å
23N61.6Low59.6Low69 Ų6982.1 Ų82.137%0.36944%0.441SS..  trans-139.969.1-172.7-131.5-37000111.9S19 I21 N25 K26 V27S19-N23 PolarHBondContact O-N 2.81Å; I21-N23 VanDerWaalsContact C-N 3.34Å; N23-N25 PolarHBondContact O-N 2.93Å; N23-K26 HydrophobicContact CB-CB 4.04Å; N23-K26 PolarHBondContact O-N 2.85Å; N23-V27 VanDerWaalsContact O-CG2 3.27Å; N23-V27 WeakPolarHBondContact O-CG2 3.47Å
24P59.7Low59Low88 Ų8887.5 Ų87.557%0.57146%0.458SS*.THydrogen-bonded Turntrans-59.1-26.6-175.423.6-34000112.8Q20Q20-P24 VanDerWaalsContact O-CA 3.3Å; Q20-P24 WeakPolarHBondContact O-CA 3.41Å
25N57.1Low58.2Low159 Ų15992.5 Ų92.585%0.8549%0.493SS*.THydrogen-bonded Turntrans-91.7-5.9-179.6-71.3-29.9000114.5N23N23-N25 PolarHBondContact O-N 2.93Å
26K55.3Low57.7Low157 Ų15793.2 Ų93.268%0.68349%0.489SS*.  trans-106.89.4177.5-81.7-165.8178.8-178.30113.8N23 N28N23-K26 HydrophobicContact CB-CB 4.04Å; N23-K26 PolarHBondContact O-N 2.85Å; K26-N28 PolarHBondContact O-N 3.47Å
27V53.7Low57.4Low26 Ų2697.8 Ų97.816%0.15851%0.512CS..  trans-7848.3179.7-158.30000111.6Q20 N23 L33Q20-V27 HydrophobicContact CB-CG2 4.2Å; Q20-V27 HydrophobicContact CG-CB 4.36Å; Q20-V27 HydrophobicContact CG-CG1 3.62Å; Q20-V27 HydrophobicContact CG-CG2 3.75Å; N23-V27 VanDerWaalsContact O-CG2 3.27Å; N23-V27 WeakPolarHBondContact O-CG2 3.47Å; V27-L33 HydrophobicContact CG1-CD1 4.09Å
28N50.9Low57.1Low157 Ų157102.9 Ų102.984%0.8454%0.543SS*.  trans-99.314.3159.7-96.45.8000111.3K26 F30K26-N28 PolarHBondContact O-N 3.47Å; N28-F30 PolarHBondContact O-N 3.16Å
29H48.8Very low56.8Low141 Ų141107 Ų10765%0.65356%0.558SS**  trans-77.897.5172.1-136-89000109.4S31 C32H29-S31 PolarHBondContact ND1-OG 2.89Å; H29-S31 PolarHBondContact O-N 3.42Å; H29-C32 PolarHBondContact O-N 3.16Å
30F50Low56.8Low199 Ų199107.1 Ų107.187%0.87355%0.554SS**THydrogen-bonded Turntrans-40.40.7177.6-127.9-100.4000117.6N28N28-F30 PolarHBondContact O-N 3.16Å
31S53.3Low56.6Low72 Ų72109.4 Ų109.450%0.50356%0.562SS.*THydrogen-bonded Turntrans-97.5-25.7-176.5-40.40000113F12 H29F12-S31 WeakPolarHBondContact CZ-O 3.47Å; H29-S31 PolarHBondContact ND1-OG 2.89Å; H29-S31 PolarHBondContact O-N 3.42Å
32C53.7Low56.7Low41 Ų41108.7 Ų108.728%0.27756%0.562SS.*SBendtrans-87.7-24.8-177.6-95.10000114.3C16 H29C16-C32 WeakPolarHBondContact CA-SG 3.28Å; C16-C32 HydrophobicContact CB-CB 4.32Å; C16-C32 WeakPolarHBondContact CB-SG 3.46Å; C16-C32 VanDerWaalsContact SG-CA 3.57Å; C16-C32 WeakPolarHBondContact SG-CB 3.39Å; C16-C32 CovalentContact SG-SG 2.02Å; C16-C32 PolarHBondContact SG-SG 2.96Å; H29-C32 PolarHBondContact O-N 3.16Å
33L52.1Low56.7Low73 Ų73107.7 Ų107.738%0.38256%0.557SS.*  trans-120.483.7-171.2-73.7154.6000108.2V27 Y41V27-L33 HydrophobicContact CG1-CD1 4.09Å; L33-Y41 HydrophobicContact CD2-CD2 3.79Å; L33-Y41 HydrophobicContact CD2-CE2 4.13Å
34K51.3Low56.9Low159 Ų159108.7 Ų108.769%0.69156%0.558SS**SBendtrans-57.7149.1139.8-84.6-173177.8-176.30106.4F36K34-F36 HydrophobicContact CB-CD2 3.71Å; K34-F36 HydrophobicContact CB-CE2 3.7Å; K34-F36 WeakPolarHBondContact O-CD2 3.39Å; K34-F36 PolarHBondContact O-N 3.39Å
35P49.7Very low57.3Low137 Ų137107.2 Ų107.289%0.8955%0.545SS*.SBendtrans-62.582.3-176.127.1-34.9000109.7
36F54.3Low57.9Low100 Ų100105.5 Ų105.544%0.43953%0.532SS..  trans-104.4119.8179.3-88.2-72.7000105.3K34 V38 L40K34-F36 HydrophobicContact CB-CD2 3.71Å; K34-F36 HydrophobicContact CB-CE2 3.7Å; K34-F36 WeakPolarHBondContact O-CD2 3.39Å; K34-F36 PolarHBondContact O-N 3.39Å; F36-V38 PolarHBondContact O-N 2.93Å; F36-L40 HydrophobicContact CB-CD2 4.35Å; F36-L40 HydrophobicContact CD1-CD2 3.29Å; F36-L40 HydrophobicContact CE1-CD2 3.8Å; F36-L40 HydrophobicContact CG-CD2 4.08Å
37D57.6Low58.5Low109 Ų109100.9 Ų100.958%0.58352%0.523SS*.  trans-27.3126.9173.2-151.4-63000111.4K39 L40 Y41D37-K39 CarbonylContact O-C 3.59Å; D37-K39 PolarHBondContact O-N 3.19Å; D37-K39 WeakPolarHBondContact OD1-CB 3.45Å; D37-K39 PolarHBondContact OD1-N 3.36Å; D37-L40 HydrophobicContact CB-CB 4.43Å; D37-L40 WeakPolarHBondContact O-CA 3.5Å; D37-L40 WeakPolarHBondContact O-CB 3.37Å; D37-L40 PolarHBondContact O-N 2.88Å; D37-Y41 PolarHBondContact O-N 1.97Å; D37-Y41 VanDerWaalsContact O-N 3.1Å
38V60.5Low59.2Low113 Ų113100.3 Ų100.369%0.68552%0.52SS*.Hα-helixtrans-52.4-27.8-178.7179.20000111.1F36 Y41 T42F36-V38 PolarHBondContact O-N 2.93Å; V38-Y41 WeakPolarHBondContact O-CB 3.28Å; V38-Y41 PolarHBondContact O-N 3.32Å; V38-T42 WeakPolarHBondContact O-CG2 3.36Å; V38-T42 PolarHBondContact O-N 3.39Å; V38-T42 VanDerWaalsContact O-N 3.08Å; V38-T42 PolarHBondContact O-OG1 3.08Å
39K63.3Low60.1Low157 Ų15799 Ų9968%0.68351%0.507SS*.Hα-helixtrans-64.5-42.4171.8-66.7-179.21781770113.1D37 Y41 T42 L43D37-K39 CarbonylContact O-C 3.59Å; D37-K39 PolarHBondContact O-N 3.19Å; D37-K39 WeakPolarHBondContact OD1-CB 3.45Å; D37-K39 PolarHBondContact OD1-N 3.36Å; K39-Y41 VanDerWaalsContact C-N 3.34Å; K39-T42 PolarHBondContact O-OG1 3.35Å; K39-L43 WeakPolarHBondContact O-CG 3.42Å; K39-L43 PolarHBondContact O-N 2.81Å; K39-L43 VanDerWaalsContact O-N 3.16Å
40L63.3Low61.4Low67 Ų6799.8 Ų99.835%0.35151%0.508SS..Hα-helixtrans-70.4-34.8176.9-160.375.7000111.4F36 D37 L43 K44F36-L40 HydrophobicContact CB-CD2 4.35Å; F36-L40 HydrophobicContact CD1-CD2 3.29Å; F36-L40 HydrophobicContact CE1-CD2 3.8Å; F36-L40 HydrophobicContact CG-CD2 4.08Å; D37-L40 HydrophobicContact CB-CB 4.43Å; D37-L40 WeakPolarHBondContact O-CA 3.5Å; D37-L40 WeakPolarHBondContact O-CB 3.37Å; D37-L40 PolarHBondContact O-N 2.88Å; L40-L43 PolarHBondContact O-N 3.18Å; L40-K44 WeakPolarHBondContact O-CB 2.83Å; L40-K44 WeakPolarHBondContact O-CG 2.77Å; L40-K44 PolarHBondContact O-N 2.86Å
41Y61.5Low62.4Low64 Ų6493.8 Ų93.825%0.25149%0.485SS..Hα-helixtrans-59.1-50.9173.9177.6-89.2000111.9Q20 L33 D37 V38 K39 L43 K44 L45Q20-Y41 HydrophobicContact CG-CE2 4.39Å; Q20-Y41 WeakPolarHBondContact CG-OH 3.47Å; Q20-Y41 VanDerWaalsContact OE1-CE2 3.23Å; Q20-Y41 VanDerWaalsContact OE1-CZ 3.26Å; Q20-Y41 PolarHBondContact OE1-OH 3Å; Q20-Y41 VanDerWaalsContact OE1-OH 3.12Å; L33-Y41 HydrophobicContact CD2-CD2 3.79Å; L33-Y41 HydrophobicContact CD2-CE2 4.13Å; D37-Y41 PolarHBondContact O-N 1.97Å; D37-Y41 VanDerWaalsContact O-N 3.1Å; V38-Y41 WeakPolarHBondContact O-CB 3.28Å; V38-Y41 PolarHBondContact O-N 3.32Å; K39-Y41 VanDerWaalsContact C-N 3.34Å; Y41-L43 VanDerWaalsContact C-N 3.33Å; Y41-L43 PolarHBondContact O-N 3.38Å; Y41-K44 PolarHBondContact O-N 3.01Å; Y41-L45 HydrophobicContact CE1-CD1 4.26Å; Y41-L45 WeakPolarHBondContact O-CB 3.29Å; Y41-L45 PolarHBondContact O-N 3.39Å
42T65.6Low63.2Low71 Ų7192.4 Ų92.444%0.43647%0.472SS..Hα-helixtrans-62.9-39.8-18049.20000112V38 K39 L45 Q46V38-T42 WeakPolarHBondContact O-CG2 3.36Å; V38-T42 PolarHBondContact O-N 3.39Å; V38-T42 VanDerWaalsContact O-N 3.08Å; V38-T42 PolarHBondContact O-OG1 3.08Å; K39-T42 PolarHBondContact O-OG1 3.35Å; T42-L45 PolarHBondContact O-N 2.94Å; T42-Q46 WeakPolarHBondContact O-CG 3.3Å; T42-Q46 PolarHBondContact O-N 3.21Å
43L67.9Low64.1Low103 Ų10394.6 Ų94.654%0.53948%0.481SS..Hα-helixtrans-61.4-44.4172.7-74.9168.3000112.4K39 L40 Y41 Q46 A47K39-L43 WeakPolarHBondContact O-CG 3.42Å; K39-L43 PolarHBondContact O-N 2.81Å; K39-L43 VanDerWaalsContact O-N 3.16Å; L40-L43 PolarHBondContact O-N 3.18Å; Y41-L43 VanDerWaalsContact C-N 3.33Å; Y41-L43 PolarHBondContact O-N 3.38Å; L43-Q46 PolarHBondContact O-N 3.06Å; L43-A47 WeakPolarHBondContact O-CB 3.18Å; L43-A47 PolarHBondContact O-N 3.08Å
44K65.3Low65Low90 Ų9093.7 Ų93.739%0.39148%0.48SS..Hα-helixtrans-64.8-40.1176.9-76.3-177178.1-171.60112.1L40 Y41 A47 C48L40-K44 WeakPolarHBondContact O-CB 2.83Å; L40-K44 WeakPolarHBondContact O-CG 2.77Å; L40-K44 PolarHBondContact O-N 2.86Å; Y41-K44 PolarHBondContact O-N 3.01Å; K44-A47 PolarHBondContact O-N 3.44Å; K44-C48 WeakPolarHBondContact O-CB 3.31Å; K44-C48 PolarHBondContact O-N 3.04Å
45L68Low65.9Low56 Ų5689.1 Ų89.129%0.29346%0.463SS..Hα-helixtrans-64.4-42.7176.6-164.5108000111.2Q20 Y41 T42 C48 K49Q20-L45 HydrophobicContact CB-CD1 4.11Å; Y41-L45 HydrophobicContact CE1-CD1 4.26Å; Y41-L45 WeakPolarHBondContact O-CB 3.29Å; Y41-L45 PolarHBondContact O-N 3.39Å; T42-L45 PolarHBondContact O-N 2.94Å; L45-C48 PolarHBondContact O-N 2.97Å; L45-K49 WeakPolarHBondContact O-CB 3.34Å; L45-K49 PolarHBondContact O-N 2.93Å
46Q69.7Low66.8Low124 Ų12487 Ų8758%0.57944%0.441SS*.Hα-helixtrans-62.3-43.5173.8-76.6-176.1-15.100112.1T42 L43 C48 K49 K50T42-Q46 WeakPolarHBondContact O-CG 3.3Å; T42-Q46 PolarHBondContact O-N 3.21Å; L43-Q46 PolarHBondContact O-N 3.06Å; Q46-C48 VanDerWaalsContact C-N 3.34Å; Q46-K49 PolarHBondContact O-N 3.39Å; Q46-K50 WeakPolarHBondContact O-CG 3.49Å; Q46-K50 PolarHBondContact O-N 2.95Å
47A67.8Low67.4Low60 Ų6085 Ų8550%0.49644%0.44SS..Hα-helixtrans-62.1-42.7176.300000111.6L43 K44 K50 L51L43-A47 WeakPolarHBondContact O-CB 3.18Å; L43-A47 PolarHBondContact O-N 3.08Å; K44-A47 PolarHBondContact O-N 3.44Å; A47-K50 WeakPolarHBondContact O-CB 3.41Å; A47-K50 PolarHBondContact O-N 2.73Å; A47-L51 PolarHBondContact O-N 3.23Å
48C68.6Low67.7Low13 Ų1386.4 Ų86.49%0.08844%0.441CS..Hα-helixtrans-67.9-40.2176.6172.70000112.9C17 K44 L45 Q46 K50 L51 I52C17-C48 HydrophobicContact CB-CB 3.51Å; C17-C48 WeakPolarHBondContact CB-SG 3.45Å; C17-C48 WeakPolarHBondContact SG-CB 3.27Å; C17-C48 CovalentContact SG-SG 1.97Å; C17-C48 PolarHBondContact SG-SG 3.1Å; K44-C48 WeakPolarHBondContact O-CB 3.31Å; K44-C48 PolarHBondContact O-N 3.04Å; L45-C48 PolarHBondContact O-N 2.97Å; Q46-C48 VanDerWaalsContact C-N 3.34Å; C48-K50 VanDerWaalsContact C-N 3.26Å; C48-K50 PolarHBondContact O-N 3.18Å; C48-L51 CarbonylContact O-C 3.55Å; C48-L51 WeakPolarHBondContact O-CA 3.47Å; C48-L51 WeakPolarHBondContact O-CB 3.47Å; C48-L51 PolarHBondContact O-N 2.83Å; C48-I52 WeakPolarHBondContact O-CG1 3.48Å; C48-I52 PolarHBondContact O-N 3.42Å
49K69.3Low67.6Low129 Ų12988.7 Ų88.756%0.56144%0.437SS*.Hα-helixtrans-59.7-39.4173.2-171.8173.8-178.4176.30111.2L45 Q46 N53L45-K49 WeakPolarHBondContact O-CB 3.34Å; L45-K49 PolarHBondContact O-N 2.93Å; Q46-K49 PolarHBondContact O-N 3.39Å; K49-N53 WeakPolarHBondContact O-CB 3.33Å; K49-N53 VanDerWaalsContact O-CG 3.24Å; K49-N53 PolarHBondContact O-N 2.95Å; K49-N53 PolarHBondContact O-OD1 3.43Å
50K75.8Confident67.2Low158 Ų15889.6 Ų89.669%0.68744%0.437SS*.Hα-helixtrans-62.6-41.4171.5-74.2-178.7178.2-177.40112Q46 A47 C48 N53 S54Q46-K50 WeakPolarHBondContact O-CG 3.49Å; Q46-K50 PolarHBondContact O-N 2.95Å; A47-K50 WeakPolarHBondContact O-CB 3.41Å; A47-K50 PolarHBondContact O-N 2.73Å; C48-K50 VanDerWaalsContact C-N 3.26Å; C48-K50 PolarHBondContact O-N 3.18Å; K50-N53 PolarHBondContact O-N 2.95Å; K50-S54 VanDerWaalsContact O-CB 3.3Å; K50-S54 WeakPolarHBondContact O-CB 3.4Å; K50-S54 PolarHBondContact O-N 3.11Å
51L71.2Confident66.7Low73 Ų7391.1 Ų91.138%0.38244%0.444SS..Hα-helixtrans-65.2-45.6177.9-170.175.5000111.7I14 A47 C48 S54 I55I14-L51 HydrophobicContact CD1-CD2 3.64Å; I14-L51 HydrophobicContact CG1-CD2 3.62Å; A47-L51 PolarHBondContact O-N 3.23Å; C48-L51 CarbonylContact O-C 3.55Å; C48-L51 WeakPolarHBondContact O-CA 3.47Å; C48-L51 WeakPolarHBondContact O-CB 3.47Å; C48-L51 PolarHBondContact O-N 2.83Å; L51-S54 WeakPolarHBondContact O-CB 3.45Å; L51-S54 PolarHBondContact O-N 2.85Å; L51-I55 HydrophobicContact CD2-CD1 4.32Å; L51-I55 HydrophobicContact CG-CD1 3.96Å; L51-I55 WeakPolarHBondContact O-CB 3.47Å; L51-I55 VanDerWaalsContact O-CG1 3.28Å; L51-I55 WeakPolarHBondContact O-CG1 3.45Å; L51-I55 PolarHBondContact O-N 3.12Å
52I70.8Confident65.9Low44 Ų4494.2 Ų94.223%0.22646%0.459CS..Hα-helixtrans-61.3-47.6176-67.9170000110I18 I21 C48 S54 I55 E56I18-I52 HydrophobicContact CG1-CD1 4.1Å; I21-I52 HydrophobicContact CD1-CD1 3.49Å; I21-I52 VanDerWaalsContact CD1-CD1 3.49Å; C48-I52 WeakPolarHBondContact O-CG1 3.48Å; C48-I52 PolarHBondContact O-N 3.42Å; I52-S54 VanDerWaalsContact C-N 3.26Å; I52-S54 PolarHBondContact O-N 3.2Å; I52-I55 CarbonylContact O-C 3.55Å; I52-I55 PolarHBondContact O-N 2.02Å; I52-E56 HydrophobicContact CG2-CG 4.39Å; I52-E56 WeakPolarHBondContact O-CB 3.4Å; I52-E56 PolarHBondContact O-N 3.03Å
53N72Confident65.3Low86 Ų8696.5 Ų96.546%0.4647%0.467SS..Hα-helixtrans-59.4-38.3175.6-75.4-1.6000112.1K49 K50 S57K49-N53 WeakPolarHBondContact O-CB 3.33Å; K49-N53 VanDerWaalsContact O-CG 3.24Å; K49-N53 PolarHBondContact O-N 2.95Å; K49-N53 PolarHBondContact O-OD1 3.43Å; K50-N53 PolarHBondContact O-N 2.95Å; N53-S57 VanDerWaalsContact O-CB 3.28Å; N53-S57 WeakPolarHBondContact O-CB 3.3Å; N53-S57 PolarHBondContact O-N 2.86Å
54S71.9Confident64.3Low54 Ų5498.3 Ų98.338%0.37848%0.477SS..Hα-helixtrans-65.8-47.7175.9-170.20000110.6K50 L51 I52 S57 F58K50-S54 VanDerWaalsContact O-CB 3.3Å; K50-S54 WeakPolarHBondContact O-CB 3.4Å; K50-S54 PolarHBondContact O-N 3.11Å; L51-S54 WeakPolarHBondContact O-CB 3.45Å; L51-S54 PolarHBondContact O-N 2.85Å; I52-S54 VanDerWaalsContact C-N 3.26Å; I52-S54 PolarHBondContact O-N 3.2Å; S54-S57 CarbonylContact O-C 3.6Å; S54-S57 WeakPolarHBondContact O-CB 2.85Å; S54-S57 PolarHBondContact O-N 3.39Å; S54-S57 VanDerWaalsContact O-N 3.16Å; S54-F58 WeakPolarHBondContact O-CD2 3.36Å; S54-F58 PolarHBondContact O-N 3.48Å
55I70Confident62.8Low63 Ų6399 Ų9932%0.32349%0.493SS..Hα-helixtrans-59.5-49176.2-70.6168.1000110.2L51 I52 S57 F58 W59L51-I55 HydrophobicContact CD2-CD1 4.32Å; L51-I55 HydrophobicContact CG-CD1 3.96Å; L51-I55 WeakPolarHBondContact O-CB 3.47Å; L51-I55 VanDerWaalsContact O-CG1 3.28Å; L51-I55 WeakPolarHBondContact O-CG1 3.45Å; L51-I55 PolarHBondContact O-N 3.12Å; I52-I55 CarbonylContact O-C 3.55Å; I52-I55 PolarHBondContact O-N 2.02Å; I55-S57 VanDerWaalsContact C-N 3.3Å; I55-S57 PolarHBondContact O-N 2.91Å; I55-F58 CarbonylContact O-C 3.57Å; I55-F58 WeakPolarHBondContact O-CA 3.49Å; I55-F58 WeakPolarHBondContact O-CB 3.11Å; I55-F58 PolarHBondContact O-N 3.49Å; I55-W59 VanDerWaalsContact CG2-NE1 3.34Å; I55-W59 PolarHBondContact O-N 3.43Å
56E68.8Low61.6Low92 Ų92105.5 Ų105.543%0.4354%0.535SS..Hα-helixtrans-58.5-41.3174.6-77.8-161.38900112I52 F58 W59 R60I52-E56 HydrophobicContact CG2-CG 4.39Å; I52-E56 WeakPolarHBondContact O-CB 3.4Å; I52-E56 PolarHBondContact O-N 3.03Å; E56-F58 VanDerWaalsContact C-N 3.34Å; E56-W59 PolarHBondContact O-N 3.39Å; E56-R60 WeakPolarHBondContact O-CB 2.94Å; E56-R60 VanDerWaalsContact O-CG 3.3Å; E56-R60 WeakPolarHBondContact O-CG 3.37Å; E56-R60 PolarHBondContact O-N 2.95Å
57S65.7Low61.2Low60 Ų60104.6 Ų104.642%0.4253%0.532SS..Hα-helixtrans-62.9-41.8173.7-168.60000111.1N53 S54 I55 R60 I61N53-S57 VanDerWaalsContact O-CB 3.28Å; N53-S57 WeakPolarHBondContact O-CB 3.3Å; N53-S57 PolarHBondContact O-N 2.86Å; S54-S57 CarbonylContact O-C 3.6Å; S54-S57 WeakPolarHBondContact O-CB 2.85Å; S54-S57 PolarHBondContact O-N 3.39Å; S54-S57 VanDerWaalsContact O-N 3.16Å; I55-S57 VanDerWaalsContact C-N 3.3Å; I55-S57 PolarHBondContact O-N 2.91Å; S57-R60 PolarHBondContact O-N 2.74Å; S57-I61 WeakPolarHBondContact O-CB 3.32Å; S57-I61 WeakPolarHBondContact O-CD1 3.41Å; S57-I61 WeakPolarHBondContact O-CG1 3.42Å; S57-I61 PolarHBondContact O-N 3.39Å
58F64.1Low60.8Low137 Ų137106.9 Ų106.960%0.60153%0.534SS*.Hα-helixtrans-63.1-41.8174.8-88-74.9000111.9S54 I55 E56 I61 K62S54-F58 WeakPolarHBondContact O-CD2 3.36Å; S54-F58 PolarHBondContact O-N 3.48Å; I55-F58 CarbonylContact O-C 3.57Å; I55-F58 WeakPolarHBondContact O-CA 3.49Å; I55-F58 WeakPolarHBondContact O-CB 3.11Å; I55-F58 PolarHBondContact O-N 3.49Å; E56-F58 VanDerWaalsContact C-N 3.34Å; F58-I61 PolarHBondContact O-N 2.6Å; F58-K62 WeakPolarHBondContact O-CB 3.34Å; F58-K62 PolarHBondContact O-N 2.94Å
59W59.6Low60.4Low162 Ų162112.2 Ų112.261%0.61456%0.559SS**Hα-helixtrans-67.9-41.1175.8-74105.5000111.9I55 E56 K62 I63I55-W59 VanDerWaalsContact CG2-NE1 3.34Å; I55-W59 PolarHBondContact O-N 3.43Å; E56-W59 PolarHBondContact O-N 3.39Å; W59-K62 PolarHBondContact O-N 3.05Å; W59-I63 VanDerWaalsContact O-CG1 3.27Å; W59-I63 WeakPolarHBondContact O-CG1 3.41Å; W59-I63 PolarHBondContact O-N 2.95Å
60R53.8Low59.9Low176 Ų176111.2 Ų111.266%0.66456%0.559SS**Hα-helixtrans-63.3-42.4174.1-75.3179.5-170.7-1253.4112E56 S57 K62 I63 N64E56-R60 WeakPolarHBondContact O-CB 2.94Å; E56-R60 VanDerWaalsContact O-CG 3.3Å; E56-R60 WeakPolarHBondContact O-CG 3.37Å; E56-R60 PolarHBondContact O-N 2.95Å; S57-R60 PolarHBondContact O-N 2.74Å; R60-K62 VanDerWaalsContact C-N 3.3Å; R60-K62 PolarHBondContact O-N 2.8Å; R60-I63 PolarHBondContact O-N 2.78Å; R60-N64 PolarHBondContact O-N 3.03Å
61I52.6Low58.9Low98 Ų98108.3 Ų108.350%0.50355%0.551SS.*Hα-helixtrans-61.7-42.3174.9-70162.4000110S57 F58 I63 N64S57-I61 WeakPolarHBondContact O-CB 3.32Å; S57-I61 WeakPolarHBondContact O-CD1 3.41Å; S57-I61 WeakPolarHBondContact O-CG1 3.42Å; S57-I61 PolarHBondContact O-N 3.39Å; F58-I61 PolarHBondContact O-N 2.6Å; I61-I63 PolarHBondContact O-N 2.85Å; I61-N64 PolarHBondContact O-N 2.69Å
62K46.5Very low58.1Low130 Ų130110.6 Ų110.657%0.56556%0.562SS**Hα-helixtrans-70.4-29.5-179.2-148.2179-175.2-1730113.2F58 W59 R60 N64 C65F58-K62 WeakPolarHBondContact O-CB 3.34Å; F58-K62 PolarHBondContact O-N 2.94Å; W59-K62 PolarHBondContact O-N 3.05Å; R60-K62 VanDerWaalsContact C-N 3.3Å; R60-K62 PolarHBondContact O-N 2.8Å; K62-N64 VanDerWaalsContact C-N 3.3Å; K62-C65 PolarHBondContact O-N 3.46Å
63I51.8Low57.2Low119 Ų119115.4 Ų115.461%0.6159%0.586SS**Hα-helixtrans-73.1-23.1174.1-69.3164.6000111.7W59 R60 I61 T66W59-I63 VanDerWaalsContact O-CG1 3.27Å; W59-I63 WeakPolarHBondContact O-CG1 3.41Å; W59-I63 PolarHBondContact O-N 2.95Å; R60-I63 PolarHBondContact O-N 2.78Å; I61-I63 PolarHBondContact O-N 2.85Å; I63-T66 PolarHBondContact O-OG1 3.27Å
64N46.5Very low56Low140 Ų140117.6 Ų117.675%0.74960%0.596SS**THydrogen-bonded Turntrans-90.29.9173.8-91.610.6000114.3R60 I61 K62R60-N64 PolarHBondContact O-N 3.03Å; I61-N64 PolarHBondContact O-N 2.69Å; K62-N64 VanDerWaalsContact C-N 3.3Å
65C35.1Very low54.7Low106 Ų106122.9 Ų122.972%0.71661%0.614SS**  trans-104.239.1172-68.20000112.7K62K62-C65 PolarHBondContact O-N 3.46Å
66T41.9Very low53.3Low192 Ų192128.4 Ų128.4100%1.17864%0.641SS**  trans-95.70156.92.30000108.4I63I63-T66 PolarHBondContact O-OG1 3.27Å

Retrieved 66 of 66 residues in 15.6 ms (Link to these results)