G4LYE0_SCHMA Loading...

DUF1080 domain-containing protein

AlphaFold DB , UniProt , Accession G4LYE0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 71 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
1M49.1Very low55.3Low241 Ų241111.8 Ų111.8100%1.18759%0.594SS**  0128.90-79.5166.8163.400107.9
2K51.9Low55.9Low206 Ų206107.1 Ų107.190%0.89658%0.576SS**  trans-93.6111.2171.7-78.2-175.6177.2-179.20106.9R4K2-R4 PolarHBondContact O-N 3.16Å
3A52.9Low56.4Low74 Ų74107.7 Ų107.761%0.61257%0.573SS**  trans-64.2122.5172.700000108.9Q71A3-Q71 WeakPolarHBondContact CA-O 3.31Å
4R51.7Low56.8Low171 Ų171101.5 Ų101.565%0.64554%0.54SS*.  trans-101.9115.9170.7-168.3177.7-175.7-179.70.5108.5K2 Q71K2-R4 PolarHBondContact O-N 3.16Å; R4-Q71 HydrophobicContact CB-CB 4.22Å; R4-Q71 PolarHBondContact O-N 3.27Å
5T51.4Low56.9Low80 Ų80101.4 Ų101.449%0.49154%0.54SS..EExtended strand (participates in β ladder)trans-82.3120.7172.1-57.40000109V7 I68 L69T5-V7 HydrophobicContact CG2-CG2 4.34Å; T5-I68 HydrophobicContact CG2-CG1 4.43Å; T5-I68 HydrophobicContact CG2-CG2 3.59Å; T5-L69 WeakPolarHBondContact CA-O 3.32Å
6T59Low57Low50 Ų5095.9 Ų95.931%0.30751%0.512SS..EExtended strand (participates in β ladder)trans-107.4123.6165.5-53.60000108.4I8 I68 L69T6-I8 HydrophobicContact CG2-CG1 4.26Å; T6-I68 WeakPolarHBondContact O-CA 3.38Å; T6-L69 PolarHBondContact N-O 2.76Å; T6-L69 VanDerWaalsContact N-O 3.12Å; T6-L69 PolarHBondContact O-N 2.93Å
7V54.7Low56.7Low67 Ų6796.2 Ų96.241%0.40651%0.514SS..EExtended strand (participates in β ladder)trans-93.2120.6171.9167.10000107.7T5 Q66 V67T5-V7 HydrophobicContact CG2-CG2 4.34Å; V7-Q66 HydrophobicContact CG1-CG 3.8Å; V7-Q66 HydrophobicContact CG2-CG 4.43Å; V7-Q66 VanDerWaalsContact CG2-NE2 3.34Å; V7-V67 WeakPolarHBondContact CA-O 3.39Å
8I56.5Low56.5Low76 Ų7699.9 Ų99.939%0.3953%0.527SS..EExtended strand (participates in β ladder)trans-109.4115.2170.1-54.6173.4000107T6 V10 I65 V67 L69T6-I8 HydrophobicContact CG2-CG1 4.26Å; I8-V10 HydrophobicContact CG2-CG2 3.86Å; I8-V10 PolarHBondContact O-N 3.23Å; I8-I65 VanDerWaalsContact O-O 3.13Å; I8-V67 HydrophobicContact CB-CB 4.41Å; I8-V67 PolarHBondContact N-O 3.18Å; I8-V67 PolarHBondContact O-N 3.44Å; I8-V67 VanDerWaalsContact O-N 3.13Å; I8-L69 HydrophobicContact CD1-CD1 3.8Å
9D59.3Low56.4Low112 Ų11299.9 Ų99.960%0.59953%0.527SS*.EExtended strand (participates in β ladder)trans-86.1104.6172.1-65.6-38.8000108.5
10V57.6Low56.3Low75 Ų7596.4 Ų96.446%0.45551%0.509SS..EExtended strand (participates in β ladder)trans-97.9115170.8-1730000107I8 I65I8-V10 HydrophobicContact CG2-CG2 3.86Å; I8-V10 PolarHBondContact O-N 3.23Å; V10-I65 PolarHBondContact N-O 3.12Å; V10-I65 PolarHBondContact O-N 3.17Å
11S64.2Low56.2Low78 Ų7894.3 Ų94.355%0.54550%0.502SS..EExtended strand (participates in β ladder)trans-104.5128.817154.10000110.9R63S11-R63 VanDerWaalsContact CA-O 3.29Å; S11-R63 WeakPolarHBondContact CA-O 3.44Å
12S62.5Low56.5Low55 Ų5586.6 Ų86.639%0.38547%0.469SS..EExtended strand (participates in β ladder)trans-115.7134.9166.955.40000109.1I14 L62 R63S12-I14 PolarHBondContact O-N 3.42Å; S12-L62 WeakPolarHBondContact O-CA 3.32Å; S12-R63 PolarHBondContact N-O 3.12Å; S12-R63 PolarHBondContact O-N 3.04Å
13E62.1Low56.5Low115 Ų11581 Ų8154%0.53745%0.451SS..EExtended strand (participates in β ladder)trans-65126.1171.2-170.7170.3153.600108.6R60 L62E13-R60 HydrophobicContact CG-CB 4.44Å; E13-R60 HydrophobicContact CG-CG 4.48Å; E13-R60 VanDerWaalsContact OE2-CD 3.31Å; E13-R60 WeakPolarHBondContact OE2-CD 3.4Å; E13-R60 IonicContact OE2-CZ 3.1Å; E13-R60 IonicContact OE2-NE 3.41Å; E13-R60 IonicContact OE2-NH1 2.74Å; E13-R60 PolarHBondContact OE2-NH1 3.18Å; E13-L62 HydrophobicContact CB-CD2 4.13Å
14I62Low56.8Low21 Ų2179.6 Ų79.611%0.10843%0.434CS..EExtended strand (participates in β ladder)trans-116.7139.217459.4166.4000108.6S12 C16 V54 F61 R63S12-I14 PolarHBondContact O-N 3.42Å; I14-C16 VanDerWaalsContact CD1-SG 3.52Å; I14-C16 PolarHBondContact O-N 3.49Å; I14-V54 HydrophobicContact CD1-CB 4.22Å; I14-V54 HydrophobicContact CD1-CG1 3.65Å; I14-V54 HydrophobicContact CD1-CG2 3.5Å; I14-V54 VanDerWaalsContact CD1-CG2 3.5Å; I14-V54 HydrophobicContact CG1-CG1 4.25Å; I14-F61 HydrophobicContact CG1-CB 3.89Å; I14-F61 WeakPolarHBondContact CG1-O 3.29Å; I14-F61 PolarHBondContact N-O 2.9Å; I14-R63 HydrophobicContact CD1-CB 4.41Å; I14-R63 HydrophobicContact CG2-CB 3.99Å
15N59.2Low56.9Low100 Ų10079.4 Ų79.454%0.53544%0.44SS..  trans-83.692.3173.9-172.6-2000108.9N17N15-N17 VanDerWaalsContact C-N 3.28Å; N15-N17 WeakPolarHBondContact OD1-CB 3.36Å; N15-N17 PolarHBondContact OD1-N 3.34Å
16C57.2Low56.9Low14 Ų1480.2 Ų80.210%0.09545%0.449CS..  trans-79.5-13.3170.4-61.80000112.5I14 E18 N19 L20 F61I14-C16 VanDerWaalsContact CD1-SG 3.52Å; I14-C16 PolarHBondContact O-N 3.49Å; C16-E18 PolarHBondContact O-N 3.49Å; C16-N19 PolarHBondContact O-N 3.23Å; C16-L20 WeakPolarHBondContact O-CB 3.2Å; C16-L20 PolarHBondContact O-N 3.36Å; C16-F61 HydrophobicContact CB-CB 4.04Å; C16-F61 HydrophobicContact CB-CD1 4.16Å; C16-F61 HydrophobicContact CB-CD2 3.49Å; C16-F61 VanDerWaalsContact CB-CD2 3.49Å; C16-F61 HydrophobicContact CB-CE2 3.91Å; C16-F61 HydrophobicContact CB-CG 3.62Å; C16-F61 HydrophobicContact CB-CZ 4.4Å; C16-F61 WeakPolarHBondContact SG-CB 3.36Å; C16-F61 WeakPolarHBondContact SG-CG 3.26Å
17N53.5Low56.2Low101 Ų10181 Ų8154%0.5447%0.467SS..THydrogen-bonded Turntrans-70.1-16.6-167.8-68.1-14.9000113.6N15 N19 F61N15-N17 VanDerWaalsContact C-N 3.28Å; N15-N17 WeakPolarHBondContact OD1-CB 3.36Å; N15-N17 PolarHBondContact OD1-N 3.34Å; N17-N19 VanDerWaalsContact C-N 3.32Å; N17-N19 PolarHBondContact O-N 2.99Å; N17-F61 WeakPolarHBondContact OD1-CE2 3.17Å
18E52.5Low55.7Low163 Ų16380.5 Ų80.576%0.76248%0.475SS*.THydrogen-bonded Turntrans-79.7-9.9-179.6-69.1-175160.400114.1C16C16-E18 PolarHBondContact O-N 3.49Å
19N54.4Low55.2Low99 Ų9986.3 Ų86.353%0.52950%0.5SS..THydrogen-bonded Turntrans-144.5-5.7-177.1-138-18.8000115.3C16 N17 V23C16-N19 PolarHBondContact O-N 3.23Å; N17-N19 VanDerWaalsContact C-N 3.32Å; N17-N19 PolarHBondContact O-N 2.99Å; N19-V23 WeakPolarHBondContact O-CB 3.37Å; N19-V23 WeakPolarHBondContact O-CG2 3.3Å; N19-V23 PolarHBondContact O-N 2.9Å
20L54.9Low54.8Low29 Ų2985.6 Ų85.615%0.15250%0.496CS..Hα-helixtrans-70.4-40.5-174-150.475.7000113C16 V23 I24 L35 L41 T47 F61C16-L20 WeakPolarHBondContact O-CB 3.2Å; C16-L20 PolarHBondContact O-N 3.36Å; L20-V23 PolarHBondContact O-N 3.28Å; L20-I24 HydrophobicContact CD2-CD1 4.25Å; L20-I24 HydrophobicContact CG-CD1 3.91Å; L20-I24 VanDerWaalsContact O-CB 3.3Å; L20-I24 WeakPolarHBondContact O-CB 3.42Å; L20-I24 WeakPolarHBondContact O-CD1 3.42Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 3.45Å; L20-L35 HydrophobicContact CD2-CD2 4.37Å; L20-L41 HydrophobicContact CD2-CD2 4.04Å; L20-L41 HydrophobicContact CD2-CG 4.41Å; L20-T47 HydrophobicContact CD1-CG2 3.56Å; L20-T47 HydrophobicContact CD2-CG2 4.05Å; L20-T47 HydrophobicContact CG-CG2 4.35Å; L20-F61 HydrophobicContact CD2-CE1 4.14Å; L20-F61 HydrophobicContact CD2-CZ 3.75Å
21S54.4Low54.7Low54 Ų5488.2 Ų88.238%0.37852%0.518SS..Hα-helixtrans-61.6-46.4175.151.60000111.5V23 I24 E25S21-V23 PolarHBondContact O-N 3.03Å; S21-I24 PolarHBondContact O-N 3.38Å; S21-E25 WeakPolarHBondContact O-CB 3.36Å; S21-E25 VanDerWaalsContact O-CG 3.26Å; S21-E25 WeakPolarHBondContact O-CG 3.43Å; S21-E25 PolarHBondContact O-N 2.81Å
22T54.1Low54.4Low79 Ų7990.5 Ų90.549%0.48552%0.52SS..Hα-helixtrans-62.7-43.5178.8-47.20000112.4S26T22-S26 WeakPolarHBondContact O-CB 3.39Å; T22-S26 PolarHBondContact O-N 3.06Å; T22-S26 PolarHBondContact O-OG 3.04Å
23V53.2Low54.4Low87 Ų8795.7 Ų95.753%0.52753%0.531SS..Hα-helixtrans-66.1-40.7179169.30000110.9N19 L20 S21 S26N19-V23 WeakPolarHBondContact O-CB 3.37Å; N19-V23 WeakPolarHBondContact O-CG2 3.3Å; N19-V23 PolarHBondContact O-N 2.9Å; L20-V23 PolarHBondContact O-N 3.28Å; S21-V23 PolarHBondContact O-N 3.03Å; V23-S26 PolarHBondContact O-N 2.98Å; V23-S26 PolarHBondContact O-OG 3.46Å
24I58Low54.5Low46 Ų4691.4 Ų91.424%0.23651%0.513CS..Hα-helixtrans-70.1-43.2179.3-73.8170.8000112L20 S21 S26 P34 L35L20-I24 HydrophobicContact CD2-CD1 4.25Å; L20-I24 HydrophobicContact CG-CD1 3.91Å; L20-I24 VanDerWaalsContact O-CB 3.3Å; L20-I24 WeakPolarHBondContact O-CB 3.42Å; L20-I24 WeakPolarHBondContact O-CD1 3.42Å; L20-I24 WeakPolarHBondContact O-CG1 3.43Å; L20-I24 PolarHBondContact O-N 3.45Å; S21-I24 PolarHBondContact O-N 3.38Å; I24-S26 PolarHBondContact O-N 2.9Å; I24-P34 HydrophobicContact CB-CG 4.27Å; I24-P34 HydrophobicContact CD1-CB 4.14Å; I24-P34 HydrophobicContact CD1-CG 3.9Å; I24-P34 HydrophobicContact CG1-CG 3.98Å; I24-P34 HydrophobicContact CG2-CG 3.35Å; I24-L35 HydrophobicContact CD1-CD1 3.88Å; I24-L35 HydrophobicContact CD1-CD2 3.91Å; I24-L35 HydrophobicContact CD1-CG 3.68Å
25E53.5Low54.8Low166 Ų16691.9 Ų91.978%0.77652%0.516SS*.Hα-helixtrans-62.7-24.4177.7-76.1174.5-175.900112.6S21S21-E25 WeakPolarHBondContact O-CB 3.36Å; S21-E25 VanDerWaalsContact O-CG 3.26Å; S21-E25 WeakPolarHBondContact O-CG 3.43Å; S21-E25 PolarHBondContact O-N 2.81Å
26S51.9Low55.4Low98 Ų9889.5 Ų89.569%0.68550%0.503SS*.THydrogen-bonded Turntrans-92.5-6.3-173.870.50000116.4T22 V23 I24T22-S26 WeakPolarHBondContact O-CB 3.39Å; T22-S26 PolarHBondContact O-N 3.06Å; T22-S26 PolarHBondContact O-OG 3.04Å; V23-S26 PolarHBondContact O-N 2.98Å; V23-S26 PolarHBondContact O-OG 3.46Å; I24-S26 PolarHBondContact O-N 2.9Å
27G44.9Very low56.2Low66 Ų6695.1 Ų95.168%0.6853%0.532SS*.THydrogen-bonded Turntrans-17025.9-16600000122.1
28G44Very low57.1Low56 Ų5696 Ų9658%0.57754%0.537SS*.  trans-11196.5177.700000114.6N30G28-N30 PolarHBondContact O-N 3.19Å
29H45.9Very low57.7Low198 Ų19890.4 Ų90.492%0.91752%0.523SS*.  trans-73.841.6175.1-104.9-84.5000113.6
30N52Low58.2Low97 Ų9791.7 Ų91.752%0.51952%0.521SS..SBendtrans-126.3130-171.4-53.922.8000107.5G28 E32 W45G28-N30 PolarHBondContact O-N 3.19Å; N30-E32 PolarHBondContact O-N 3.02Å; N30-W45 HydrophobicContact CB-CH2 4.45Å
31S54.8Low58.8Low131 Ų13191.2 Ų91.292%0.91652%0.518SS*.SBendtrans-62.31.4175.746.10000114.2
32E58.5Low59.5Low125 Ų12590.2 Ų90.258%0.58451%0.511SS*.SBendtrans-105.6121.1-179.2-67.2175.5-173.700108.2N30 P34 W45N30-E32 PolarHBondContact O-N 3.02Å; E32-P34 VanDerWaalsContact O-CD 3.24Å; E32-P34 WeakPolarHBondContact O-CD 3.41Å; E32-W45 HydrophobicContact CB-CZ2 3.68Å; E32-W45 WeakPolarHBondContact O-CZ2 3.5Å
33R61.6Low60.1Low164 Ų16494.4 Ų94.462%0.61953%0.53SS*.  trans-76.2115.5177.6-65.6172.675.4-160-2.9107.9L35 D37 S42R33-L35 WeakPolarHBondContact CB-O 3.49Å; R33-L35 PolarHBondContact O-N 3.1Å; R33-D37 IonicContact CZ-OD1 3.04Å; R33-D37 IonicContact NH1-OD1 3.57Å; R33-D37 PolarHBondContact NH1-OD1 3.22Å; R33-D37 IonicContact NH2-OD1 3.34Å; R33-D37 PolarHBondContact NH2-OD1 2.86Å; R33-D37 VanDerWaalsContact NH2-OD1 3.1Å; R33-S42 WeakPolarHBondContact O-CB 3.47Å; R33-S42 PolarHBondContact O-OG 3.2Å
34P63.2Low60.4Low25 Ų2594.4 Ų94.416%0.16255%0.548CS..SBendtrans-67.2-16.3177.927.3-36000112.8I24 E32 L41 S42 W45I24-P34 HydrophobicContact CB-CG 4.27Å; I24-P34 HydrophobicContact CD1-CB 4.14Å; I24-P34 HydrophobicContact CD1-CG 3.9Å; I24-P34 HydrophobicContact CG1-CG 3.98Å; I24-P34 HydrophobicContact CG2-CG 3.35Å; E32-P34 VanDerWaalsContact O-CD 3.24Å; E32-P34 WeakPolarHBondContact O-CD 3.41Å; P34-L41 CarbonylContact O-C 3.55Å; P34-L41 VanDerWaalsContact O-CA 3.23Å; P34-L41 WeakPolarHBondContact O-CA 3.48Å; P34-S42 PolarHBondContact O-N 3.33Å; P34-W45 HydrophobicContact CB-CD2 3.52Å; P34-W45 HydrophobicContact CB-CE3 3.56Å; P34-W45 HydrophobicContact CB-CG 4.06Å; P34-W45 HydrophobicContact CB-CH2 4.05Å; P34-W45 HydrophobicContact CB-CZ2 4.04Å; P34-W45 HydrophobicContact CB-CZ3 3.84Å
35L68.8Low60.5Low31 Ų3196.2 Ų96.216%0.16255%0.552CS.*BIsolated β-bridgetrans-113.9139.4172.2-58.3175000111.2L20 I24 R33 R40 L41L20-L35 HydrophobicContact CD2-CD2 4.37Å; I24-L35 HydrophobicContact CD1-CD1 3.88Å; I24-L35 HydrophobicContact CD1-CD2 3.91Å; I24-L35 HydrophobicContact CD1-CG 3.68Å; R33-L35 WeakPolarHBondContact CB-O 3.49Å; R33-L35 PolarHBondContact O-N 3.1Å; L35-R40 CarbonylContact C-O 3.48Å; L35-R40 WeakPolarHBondContact CA-O 3.24Å; L35-L41 HydrophobicContact CD2-CD2 4.01Å
36D71.9Confident60.8Low50 Ų5093.4 Ų93.427%0.26754%0.54SS..  trans-70.3173.716680.2-9.3000110.9N38 G39 R40D36-N38 PolarHBondContact O-N 2.88Å; D36-N38 VanDerWaalsContact OD1-C 3.27Å; D36-N38 VanDerWaalsContact OD1-CA 3.26Å; D36-N38 WeakPolarHBondContact OD1-CA 3.28Å; D36-N38 VanDerWaalsContact OD1-CB 3.32Å; D36-N38 WeakPolarHBondContact OD1-CB 3.44Å; D36-N38 PolarHBondContact OD1-N 2.81Å; D36-N38 PolarHBondContact OD2-ND2 3.13Å; D36-G39 PolarHBondContact O-N 3.16Å; D36-G39 PolarHBondContact OD1-N 3.3Å; D36-R40 PolarHBondContact N-O 3.02Å; D36-R40 WeakPolarHBondContact OD1-CB 3.34Å; D36-R40 PolarHBondContact OD1-N 3.18Å
37D75Confident61.3Low132 Ų13289.7 Ų89.771%0.70651%0.514SS*.THydrogen-bonded Turntrans-65.9-6.7178.5-65.5-35.8000113.5R33R33-D37 IonicContact CZ-OD1 3.04Å; R33-D37 IonicContact NH1-OD1 3.57Å; R33-D37 PolarHBondContact NH1-OD1 3.22Å; R33-D37 IonicContact NH2-OD1 3.34Å; R33-D37 PolarHBondContact NH2-OD1 2.86Å; R33-D37 VanDerWaalsContact NH2-OD1 3.1Å
38N70.9Confident62.1Low121 Ų12191.8 Ų91.865%0.64751%0.509SS*.THydrogen-bonded Turntrans-99.82.2174.7-51.4-65.6000113.2D36D36-N38 PolarHBondContact O-N 2.88Å; D36-N38 VanDerWaalsContact OD1-C 3.27Å; D36-N38 VanDerWaalsContact OD1-CA 3.26Å; D36-N38 WeakPolarHBondContact OD1-CA 3.28Å; D36-N38 VanDerWaalsContact OD1-CB 3.32Å; D36-N38 WeakPolarHBondContact OD1-CB 3.44Å; D36-N38 PolarHBondContact OD1-N 2.81Å; D36-N38 PolarHBondContact OD2-ND2 3.13Å
39G65.5Low62.9Low45 Ų4593.2 Ų93.246%0.46450%0.5SS..SBendtrans76.719-177.600000114.6D36D36-G39 PolarHBondContact O-N 3.16Å; D36-G39 PolarHBondContact OD1-N 3.3Å
40R65.6Low63.6Low125 Ų12590.7 Ų90.747%0.47249%0.493SS..SBendtrans-94.1150.5173.2-63.2179.9175138.91110L35 D36 S42L35-R40 CarbonylContact C-O 3.48Å; L35-R40 WeakPolarHBondContact CA-O 3.24Å; D36-R40 PolarHBondContact N-O 3.02Å; D36-R40 WeakPolarHBondContact OD1-CB 3.34Å; D36-R40 PolarHBondContact OD1-N 3.18Å; R40-S42 PolarHBondContact O-N 3.03Å
41L67.8Low63.9Low19 Ų1989.4 Ų89.410%0.09950%0.503CS..BIsolated β-bridgetrans-58.2130.2170.2-68174.3000110.1L20 P34 L35 W45 T47 Q56 F61L20-L41 HydrophobicContact CD2-CD2 4.04Å; L20-L41 HydrophobicContact CD2-CG 4.41Å; P34-L41 CarbonylContact O-C 3.55Å; P34-L41 VanDerWaalsContact O-CA 3.23Å; P34-L41 WeakPolarHBondContact O-CA 3.48Å; L35-L41 HydrophobicContact CD2-CD2 4.01Å; L41-W45 HydrophobicContact CB-CB 4.32Å; L41-W45 HydrophobicContact CD2-CB 4.11Å; L41-T47 HydrophobicContact CD1-CG2 3.85Å; L41-T47 HydrophobicContact CD2-CG2 4.06Å; L41-Q56 HydrophobicContact CD1-CB 4.24Å; L41-F61 HydrophobicContact CD1-CE1 3.6Å; L41-F61 HydrophobicContact CD1-CZ 4.38Å; L41-F61 HydrophobicContact CG-CE1 3.96Å; L41-F61 HydrophobicContact CG-CZ 4.25Å
42S68.6Low64.3Low33 Ų3386.1 Ų86.123%0.23147%0.473CS..PPolyproline II helixtrans-60.8149.1168-620000109.5R33 P34 R40 G44 W45R33-S42 WeakPolarHBondContact O-CB 3.47Å; R33-S42 PolarHBondContact O-OG 3.2Å; P34-S42 PolarHBondContact O-N 3.33Å; R40-S42 PolarHBondContact O-N 3.03Å; S42-G44 PolarHBondContact O-N 2.87Å; S42-W45 WeakPolarHBondContact O-CB 3.47Å; S42-W45 PolarHBondContact O-N 3.03Å; S42-W45 VanDerWaalsContact O-N 3.16Å
43D65.8Low64.6Low167 Ų16784.3 Ų84.389%0.89347%0.465SS*.THydrogen-bonded Turntrans-52.4137174.9-71.8-21.6000110.9
44G60Low64.7Low87 Ų8776.7 Ų76.790%0.89744%0.436SS*.THydrogen-bonded Turntrans90.3-7.6-178.400000115.2S42S42-G44 PolarHBondContact O-N 2.87Å
45W61.2Low64.9Low84 Ų8478.3 Ų78.332%0.31845%0.446SS..  trans-92.4137175.7-66.881.9000112.1N30 E32 P34 L41 S42N30-W45 HydrophobicContact CB-CH2 4.45Å; E32-W45 HydrophobicContact CB-CZ2 3.68Å; E32-W45 WeakPolarHBondContact O-CZ2 3.5Å; P34-W45 HydrophobicContact CB-CD2 3.52Å; P34-W45 HydrophobicContact CB-CE3 3.56Å; P34-W45 HydrophobicContact CB-CG 4.06Å; P34-W45 HydrophobicContact CB-CH2 4.05Å; P34-W45 HydrophobicContact CB-CZ2 4.04Å; P34-W45 HydrophobicContact CB-CZ3 3.84Å; L41-W45 HydrophobicContact CB-CB 4.32Å; L41-W45 HydrophobicContact CD2-CB 4.11Å; S42-W45 WeakPolarHBondContact O-CB 3.47Å; S42-W45 PolarHBondContact O-N 3.03Å; S42-W45 VanDerWaalsContact O-N 3.16Å
46M59.8Low64.7Low108 Ų10879 Ų7953%0.53245%0.448SS..  trans-123.9139.4179.1178179.863.700108.3L48 H53M46-L48 HydrophobicContact CE-CD1 4.33Å; M46-L48 HydrophobicContact CE-CD2 4.22Å; M46-L48 HydrophobicContact CE-CG 4.28Å; M46-L48 HydrophobicContact SD-CD2 4.45Å; M46-H53 PolarHBondContact SD-CD2 2.74Å; M46-H53 PolarHBondContact SD-NE2 2.83Å
47T62.3Low64.3Low20 Ų2080.4 Ų80.412%0.12346%0.459CS..EExtended strand (participates in β ladder)trans-104.2138.7172.151.40000109.1L20 L41 V54L20-T47 HydrophobicContact CD1-CG2 3.56Å; L20-T47 HydrophobicContact CD2-CG2 4.05Å; L20-T47 HydrophobicContact CG-CG2 4.35Å; L41-T47 HydrophobicContact CD1-CG2 3.85Å; L41-T47 HydrophobicContact CD2-CG2 4.06Å; T47-V54 VanDerWaalsContact O-CB 3.28Å; T47-V54 WeakPolarHBondContact O-CB 3.23Å; T47-V54 PolarHBondContact O-N 3.3Å; T47-V54 VanDerWaalsContact O-N 3.13Å; T47-V54 WeakPolarHBondContact OG1-CB 3.26Å; T47-V54 WeakPolarHBondContact OG1-CG1 3.4Å
48L61.3Low64Low110 Ų11076.8 Ų76.858%0.57645%0.453SS*.EExtended strand (participates in β ladder)trans-116.2122173.3-65.1167.2000106.6M46 E52M46-L48 HydrophobicContact CE-CD1 4.33Å; M46-L48 HydrophobicContact CE-CD2 4.22Å; M46-L48 HydrophobicContact CE-CG 4.28Å; M46-L48 HydrophobicContact SD-CD2 4.45Å; L48-E52 WeakPolarHBondContact CA-O 3.44Å
49Q59.8Low63.7Low85 Ų8576.5 Ų76.540%0.39745%0.451SS..EExtended strand (participates in β ladder)trans-112119.5171.3-168.3178.119.100107.7G51 E52 V54Q49-G51 PolarHBondContact O-N 2.85Å; Q49-G51 VanDerWaalsContact O-N 3.17Å; Q49-E52 PolarHBondContact N-O 2.81Å; Q49-E52 WeakPolarHBondContact O-CB 3.17Å; Q49-E52 PolarHBondContact O-N 3.26Å; Q49-V54 HydrophobicContact CB-CG2 4.24Å
50N61.5Low63.5Low145 Ų14580.6 Ų80.678%0.77545%0.453SS*.THydrogen-bonded Turntrans55.331.3-178.9-56.1-30.7000114.4E52N50-E52 VanDerWaalsContact C-N 3.26Å; N50-E52 PolarHBondContact O-N 2.84Å
51G59.2Low63.4Low71 Ų7175 Ų7573%0.73243%0.431SS*.THydrogen-bonded Turntrans791.9-177.600000114.8Q49Q49-G51 PolarHBondContact O-N 2.85Å; Q49-G51 VanDerWaalsContact O-N 3.17Å
52E61.9Low63.1Low61 Ų6175.9 Ų75.929%0.28544%0.436SS..EExtended strand (participates in β ladder)trans-89.9141.1175-61.8174.5133.200110.8L48 Q49 N50 V54 R63L48-E52 WeakPolarHBondContact CA-O 3.44Å; Q49-E52 PolarHBondContact N-O 2.81Å; Q49-E52 WeakPolarHBondContact O-CB 3.17Å; Q49-E52 PolarHBondContact O-N 3.26Å; N50-E52 VanDerWaalsContact C-N 3.26Å; N50-E52 PolarHBondContact O-N 2.84Å; E52-V54 PolarHBondContact O-N 2.92Å; E52-R63 HydrophobicContact CB-CG 4.4Å; E52-R63 VanDerWaalsContact CD-NH1 3.34Å; E52-R63 IonicContact OE1-CZ 3.77Å; E52-R63 IonicContact OE1-NH1 3.06Å; E52-R63 PolarHBondContact OE1-NH1 3.31Å; E52-R63 WeakPolarHBondContact OE2-CD 3.49Å; E52-R63 IonicContact OE2-CZ 2.8Å; E52-R63 IonicContact OE2-NE 2.76Å; E52-R63 PolarHBondContact OE2-NE 3.44Å; E52-R63 IonicContact OE2-NH1 2.81Å; E52-R63 PolarHBondContact OE2-NH1 3.31Å; E52-R63 IonicContact OE2-NH2 3.38Å; E52-R63 PolarHBondContact OE2-NH2 3.01Å
53H64.9Low62.9Low88 Ų8877.3 Ų77.341%0.40744%0.437SS..EExtended strand (participates in β ladder)trans-72.1123.9177.7-177-143.4000110.9M46 V55 S64M46-H53 PolarHBondContact SD-CD2 2.74Å; M46-H53 PolarHBondContact SD-NE2 2.83Å; H53-V55 WeakPolarHBondContact CE1-CG2 3.38Å; H53-S64 PolarHBondContact O-N 2.82Å; H53-S64 VanDerWaalsContact O-N 3.16Å
54V64.5Low62.7Low3 Ų371.3 Ų71.32%0.01841%0.408CS..EExtended strand (participates in β ladder)trans-113.9122.3175.3-178.90000109.4I14 T47 Q49 E52 F61 L62I14-V54 HydrophobicContact CD1-CB 4.22Å; I14-V54 HydrophobicContact CD1-CG1 3.65Å; I14-V54 HydrophobicContact CD1-CG2 3.5Å; I14-V54 VanDerWaalsContact CD1-CG2 3.5Å; I14-V54 HydrophobicContact CG1-CG1 4.25Å; T47-V54 VanDerWaalsContact O-CB 3.28Å; T47-V54 WeakPolarHBondContact O-CB 3.23Å; T47-V54 PolarHBondContact O-N 3.3Å; T47-V54 VanDerWaalsContact O-N 3.13Å; T47-V54 WeakPolarHBondContact OG1-CB 3.26Å; T47-V54 WeakPolarHBondContact OG1-CG1 3.4Å; Q49-V54 HydrophobicContact CB-CG2 4.24Å; E52-V54 PolarHBondContact O-N 2.92Å; V54-F61 HydrophobicContact CG1-CB 3.7Å; V54-F61 HydrophobicContact CG1-CD1 3.9Å; V54-F61 HydrophobicContact CG1-CG 4.27Å; V54-L62 WeakPolarHBondContact CA-O 3.46Å
55V66Low62.6Low59 Ų5970.6 Ų70.636%0.35838%0.382SS..EExtended strand (participates in β ladder)trans-103.3130.6177.4-178.40000108.8H53 L62H53-V55 WeakPolarHBondContact CE1-CG2 3.38Å; V55-L62 PolarHBondContact N-O 3.13Å; V55-L62 PolarHBondContact O-N 3.46Å
56Q64.9Low62.4Low47 Ų4772.3 Ų72.322%0.2239%0.394CS..EExtended strand (participates in β ladder)trans-82.7125.7168.9-174.4175.5-23.900110.1L41 G58 R60 F61L41-Q56 HydrophobicContact CD1-CB 4.24Å; Q56-G58 PolarHBondContact NE2-O 2.98Å; Q56-R60 CarbonylContact C-O 3.56Å; Q56-R60 WeakPolarHBondContact CA-O 3.44Å; Q56-F61 HydrophobicContact CB-CD1 3.98Å; Q56-F61 HydrophobicContact CB-CE1 3.83Å; Q56-F61 HydrophobicContact CG-CD1 4.33Å; Q56-F61 HydrophobicContact CG-CE1 4.02Å; Q56-F61 HydrophobicContact CG-CZ 4.27Å
57T65Low62.1Low79 Ų7969.9 Ų69.949%0.48539%0.385SS..EExtended strand (participates in β ladder)trans-121100.8173.4-58.60000108.4N59 R60T57-N59 PolarHBondContact O-N 3.05Å; T57-R60 PolarHBondContact N-O 3.39Å; T57-R60 PolarHBondContact O-N 3.16Å; T57-R60 VanDerWaalsContact O-N 3.12Å
58G68.5Low61.6Low56 Ų5672.4 Ų72.458%0.57740%0.397SS*.THydrogen-bonded Turntrans65.6-112.2-175.400000111.8Q56Q56-G58 PolarHBondContact NE2-O 2.98Å
59N64.7Low61.2Low115 Ų11571.1 Ų71.162%0.61539%0.391SS*.THydrogen-bonded Turntrans-102.99177.168-29.6000113.8T57T57-N59 PolarHBondContact O-N 3.05Å
60R60Low61.1Low131 Ų13175.3 Ų75.349%0.49440%0.404SS..EExtended strand (participates in β ladder)trans-116.2149.6-177.1-63.7173.8-173.2-155.19.1110.4E13 Q56 T57E13-R60 HydrophobicContact CG-CB 4.44Å; E13-R60 HydrophobicContact CG-CG 4.48Å; E13-R60 VanDerWaalsContact OE2-CD 3.31Å; E13-R60 WeakPolarHBondContact OE2-CD 3.4Å; E13-R60 IonicContact OE2-CZ 3.1Å; E13-R60 IonicContact OE2-NE 3.41Å; E13-R60 IonicContact OE2-NH1 2.74Å; E13-R60 PolarHBondContact OE2-NH1 3.18Å; Q56-R60 CarbonylContact C-O 3.56Å; Q56-R60 WeakPolarHBondContact CA-O 3.44Å; T57-R60 PolarHBondContact N-O 3.39Å; T57-R60 PolarHBondContact O-N 3.16Å; T57-R60 VanDerWaalsContact O-N 3.12Å
61F64.4Low61Low6 Ų676.4 Ų76.43%0.02640%0.404CS..EExtended strand (participates in β ladder)trans-106.3128.2168.7-66.6-88000108.3I14 C16 N17 L20 L41 V54 Q56I14-F61 HydrophobicContact CG1-CB 3.89Å; I14-F61 WeakPolarHBondContact CG1-O 3.29Å; I14-F61 PolarHBondContact N-O 2.9Å; C16-F61 HydrophobicContact CB-CB 4.04Å; C16-F61 HydrophobicContact CB-CD1 4.16Å; C16-F61 HydrophobicContact CB-CD2 3.49Å; C16-F61 VanDerWaalsContact CB-CD2 3.49Å; C16-F61 HydrophobicContact CB-CE2 3.91Å; C16-F61 HydrophobicContact CB-CG 3.62Å; C16-F61 HydrophobicContact CB-CZ 4.4Å; C16-F61 WeakPolarHBondContact SG-CB 3.36Å; C16-F61 WeakPolarHBondContact SG-CG 3.26Å; N17-F61 WeakPolarHBondContact OD1-CE2 3.17Å; L20-F61 HydrophobicContact CD2-CE1 4.14Å; L20-F61 HydrophobicContact CD2-CZ 3.75Å; L41-F61 HydrophobicContact CD1-CE1 3.6Å; L41-F61 HydrophobicContact CD1-CZ 4.38Å; L41-F61 HydrophobicContact CG-CE1 3.96Å; L41-F61 HydrophobicContact CG-CZ 4.25Å; V54-F61 HydrophobicContact CG1-CB 3.7Å; V54-F61 HydrophobicContact CG1-CD1 3.9Å; V54-F61 HydrophobicContact CG1-CG 4.27Å; Q56-F61 HydrophobicContact CB-CD1 3.98Å; Q56-F61 HydrophobicContact CB-CE1 3.83Å; Q56-F61 HydrophobicContact CG-CD1 4.33Å; Q56-F61 HydrophobicContact CG-CE1 4.02Å; Q56-F61 HydrophobicContact CG-CZ 4.27Å
62L62.2Low61.1Low38 Ų3876.7 Ų76.720%0.19939%0.388CS..EExtended strand (participates in β ladder)trans-113.3124.7179.7-59.7-177.8000108.4S12 E13 V54 V55 S64S12-L62 WeakPolarHBondContact O-CA 3.32Å; E13-L62 HydrophobicContact CB-CD2 4.13Å; V54-L62 WeakPolarHBondContact CA-O 3.46Å; V55-L62 PolarHBondContact N-O 3.13Å; V55-L62 PolarHBondContact O-N 3.46Å; L62-S64 PolarHBondContact O-N 3.05Å
63R62.5Low61.1Low64 Ų6477.5 Ų77.524%0.24239%0.393CS..EExtended strand (participates in β ladder)trans-71.5123.2163.6-176.7-171.9-60.2-160.60.6107.2S11 S12 I14 E52 I65S11-R63 VanDerWaalsContact CA-O 3.29Å; S11-R63 WeakPolarHBondContact CA-O 3.44Å; S12-R63 PolarHBondContact N-O 3.12Å; S12-R63 PolarHBondContact O-N 3.04Å; I14-R63 HydrophobicContact CD1-CB 4.41Å; I14-R63 HydrophobicContact CG2-CB 3.99Å; E52-R63 HydrophobicContact CB-CG 4.4Å; E52-R63 VanDerWaalsContact CD-NH1 3.34Å; E52-R63 IonicContact OE1-CZ 3.77Å; E52-R63 IonicContact OE1-NH1 3.06Å; E52-R63 PolarHBondContact OE1-NH1 3.31Å; E52-R63 WeakPolarHBondContact OE2-CD 3.49Å; E52-R63 IonicContact OE2-CZ 2.8Å; E52-R63 IonicContact OE2-NE 2.76Å; E52-R63 PolarHBondContact OE2-NE 3.44Å; E52-R63 IonicContact OE2-NH1 2.81Å; E52-R63 PolarHBondContact OE2-NH1 3.31Å; E52-R63 IonicContact OE2-NH2 3.38Å; E52-R63 PolarHBondContact OE2-NH2 3.01Å; R63-I65 HydrophobicContact CG-CG1 4.12Å
64S61.5Low60.9Low41 Ų4176.9 Ų76.929%0.28739%0.392SS..EExtended strand (participates in β ladder)trans-100.9117.7172.2-171.80000109.5H53 L62H53-S64 PolarHBondContact O-N 2.82Å; H53-S64 VanDerWaalsContact O-N 3.16Å; L62-S64 PolarHBondContact O-N 3.05Å
65I58.9Low60.7Low71 Ų7181.2 Ų81.236%0.36441%0.414SS..EExtended strand (participates in β ladder)trans-107.2116.1171.8-56.7176.2000107.5I8 V10 R63 V67I8-I65 VanDerWaalsContact O-O 3.13Å; V10-I65 PolarHBondContact N-O 3.12Å; V10-I65 PolarHBondContact O-N 3.17Å; R63-I65 HydrophobicContact CG-CG1 4.12Å; I65-V67 HydrophobicContact CG2-CG2 4.11Å
66Q57.2Low60.3Low121 Ų12182.6 Ų82.657%0.56542%0.418SS*.EExtended strand (participates in β ladder)trans-87.7110172.2-170.6173.329.900109.4V7V7-Q66 HydrophobicContact CG1-CG 3.8Å; V7-Q66 HydrophobicContact CG2-CG 4.43Å; V7-Q66 VanDerWaalsContact CG2-NE2 3.34Å
67V52.2Low60Low57 Ų5785 Ų8535%0.34543%0.431SS..EExtended strand (participates in β ladder)trans-96.4122.2172-175.40000109.2V7 I8 I65 L69V7-V67 WeakPolarHBondContact CA-O 3.39Å; I8-V67 HydrophobicContact CB-CB 4.41Å; I8-V67 PolarHBondContact N-O 3.18Å; I8-V67 PolarHBondContact O-N 3.44Å; I8-V67 VanDerWaalsContact O-N 3.13Å; I65-V67 HydrophobicContact CG2-CG2 4.11Å; V67-L69 HydrophobicContact CG1-CD2 4.32Å; V67-L69 HydrophobicContact CG1-CG 4.47Å
68I52.5Low59.7Low73 Ų7385.4 Ų85.437%0.37443%0.427SS..EExtended strand (participates in β ladder)trans-100114.1173.9-64.7170.7000108.8T5 T6 Y70T5-I68 HydrophobicContact CG2-CG1 4.43Å; T5-I68 HydrophobicContact CG2-CG2 3.59Å; T6-I68 WeakPolarHBondContact O-CA 3.38Å; I68-Y70 HydrophobicContact CG2-CD2 4.22Å; I68-Y70 HydrophobicContact CG2-CE1 4.22Å; I68-Y70 HydrophobicContact CG2-CE2 3.7Å
69L52.7Low59Low83 Ų8387.7 Ų87.744%0.43542%0.416SS..EExtended strand (participates in β ladder)trans-95.7129.4170.5-62.2172.4000109.7T5 T6 I8 V67T5-L69 WeakPolarHBondContact CA-O 3.32Å; T6-L69 PolarHBondContact N-O 2.76Å; T6-L69 VanDerWaalsContact N-O 3.12Å; T6-L69 PolarHBondContact O-N 2.93Å; I8-L69 HydrophobicContact CD1-CD1 3.8Å; V67-L69 HydrophobicContact CG1-CD2 4.32Å; V67-L69 HydrophobicContact CG1-CG 4.47Å
70Y58.6Low58.5Low173 Ų17385.4 Ų85.468%0.67840%0.399SS*.EExtended strand (participates in β ladder)trans-98.2125.8169.5-61.8-85.8000109I68I68-Y70 HydrophobicContact CG2-CD2 4.22Å; I68-Y70 HydrophobicContact CG2-CE1 4.22Å; I68-Y70 HydrophobicContact CG2-CE2 3.7Å
71Q59.6Low58.4Low167 Ų16781.3 Ų81.378%0.7839%0.391SS*.  trans-103.70170.8-62.9-174.1-29.300111.7A3 R4A3-Q71 WeakPolarHBondContact CA-O 3.31Å; R4-Q71 HydrophobicContact CB-CB 4.22Å; R4-Q71 PolarHBondContact O-N 3.27Å

Retrieved 71 of 71 residues in 37.5 ms (Link to these results)