A0A5K4F6L1_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A5K4F6L1, 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
1M46.8Very low52.4Low235 Ų235118.3 Ų118.3100%1.15859%0.586SS**  01150-68.7154.4167.600106.3
2N56.1Low52.6Low134 Ų134108.9 Ų108.972%0.71754%0.54SS*.  trans177.6-17.7171.6-95.62.2000113.3
3R50.1Low52.6Low228 Ų228107.2 Ų107.286%0.8653%0.533SS*.Hα-helixtrans-71.9-31.7177.2-82.9-177.4161.7-176.6-5.4114
4L53.6Low52.8Low144 Ų144107.8 Ų107.875%0.75454%0.538SS*.Hα-helixtrans-71.7-36.5-177.1-124.981.3000113F7 T8L4-F7 PolarHBondContact O-N 3.03Å; L4-T8 PolarHBondContact O-N 3.46Å; L4-T8 VanDerWaalsContact O-N 3.17Å; L4-T8 PolarHBondContact O-OG1 3.12Å
5M52.1Low52.8Low102 Ų102108.2 Ų108.250%0.50254%0.542SS..Hα-helixtrans-66.4-39-176.3-76.2166.3162.200112.4T8 L9 L69M5-T8 PolarHBondContact O-N 2.73Å; M5-L9 PolarHBondContact O-N 3.25Å; M5-L69 HydrophobicContact CB-CD1 4.39Å; M5-L69 HydrophobicContact CE-CD1 4.39Å; M5-L69 HydrophobicContact CG-CD1 3.95Å
6S52Low53Low71 Ų71104.6 Ų104.650%0.49752%0.524SS..Hα-helixtrans-70-40.6178.7-173.60000112.7T8 L9 L10S6-T8 VanDerWaalsContact C-N 3.33Å; S6-T8 PolarHBondContact O-N 3.38Å; S6-L9 PolarHBondContact O-N 2.83Å; S6-L10 PolarHBondContact O-N 3.3Å
7F53.2Low53Low148 Ų148101.9 Ų101.965%0.64953%0.529SS*.Hα-helixtrans-64.3-37.1176-100.1-87000112.9L4 L9 L10 V11L4-F7 PolarHBondContact O-N 3.03Å; F7-L9 VanDerWaalsContact C-N 3.35Å; F7-L10 PolarHBondContact O-N 3.37Å; F7-V11 WeakPolarHBondContact O-CG2 3.24Å; F7-V11 PolarHBondContact O-N 2.92Å
8T54.2Low52.7Low19 Ų19103.9 Ų103.912%0.11754%0.54CS..Hα-helixtrans-62.6-43.2177-60.30000111.1L4 M5 S6 L10 V11 C12 C43L4-T8 PolarHBondContact O-N 3.46Å; L4-T8 VanDerWaalsContact O-N 3.17Å; L4-T8 PolarHBondContact O-OG1 3.12Å; M5-T8 PolarHBondContact O-N 2.73Å; S6-T8 VanDerWaalsContact C-N 3.33Å; S6-T8 PolarHBondContact O-N 3.38Å; T8-L10 PolarHBondContact O-N 2.97Å; T8-V11 PolarHBondContact O-N 3.21Å; T8-C12 PolarHBondContact O-N 3.37Å; T8-C12 PolarHBondContact O-SG 3.23Å; T8-C43 HydrophobicContact CG2-CB 3.65Å
9L53.2Low52.8Low71 Ų71100.7 Ų100.737%0.37253%0.526SS..Hα-helixtrans-59.4-46.7175.6-71.1165.1000111.6M5 S6 F7 V11 C12 L13 C67M5-L9 PolarHBondContact O-N 3.25Å; S6-L9 PolarHBondContact O-N 2.83Å; F7-L9 VanDerWaalsContact C-N 3.35Å; L9-V11 PolarHBondContact O-N 3.19Å; L9-C12 PolarHBondContact O-N 3.1Å; L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.27Å; L9-C67 HydrophobicContact CD2-CB 3.86Å
10L53Low52.6Low103 Ų103104.6 Ų104.654%0.53954%0.541SS..Hα-helixtrans-63.7-39.7-179.4-131.2132.9000112.4S6 F7 T8 L13 I14S6-L10 PolarHBondContact O-N 3.3Å; F7-L10 PolarHBondContact O-N 3.37Å; T8-L10 PolarHBondContact O-N 2.97Å; L10-L13 PolarHBondContact O-N 3.14Å; L10-I14 HydrophobicContact CD2-CD1 4.13Å; L10-I14 WeakPolarHBondContact O-CD1 3.23Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.22Å; L10-I14 PolarHBondContact O-N 3.1Å
11V52.5Low52.4Low46 Ų46108.1 Ų108.128%0.27955%0.552SS.*Hα-helixtrans-70.1-40.8176.7173.10000111.9F7 T8 L9 L13 I14 L15 K42F7-V11 WeakPolarHBondContact O-CG2 3.24Å; F7-V11 PolarHBondContact O-N 2.92Å; T8-V11 PolarHBondContact O-N 3.21Å; L9-V11 PolarHBondContact O-N 3.19Å; V11-L13 VanDerWaalsContact C-N 3.27Å; V11-L13 PolarHBondContact O-N 2.94Å; V11-I14 PolarHBondContact O-N 2.75Å; V11-L15 HydrophobicContact CG1-CD1 4.22Å; V11-L15 PolarHBondContact O-N 3.36Å; V11-K42 HydrophobicContact CG1-CD 4.13Å
12C54.2Low52.6Low6 Ų6101.3 Ų101.34%0.04152%0.518CS..Hα-helixtrans-64.5-34.7176.1-54.90000110.7T8 L9 I16 C40T8-C12 PolarHBondContact O-N 3.37Å; T8-C12 PolarHBondContact O-SG 3.23Å; L9-C12 PolarHBondContact O-N 3.1Å; C12-I16 WeakPolarHBondContact O-CD1 3.49Å; C12-I16 VanDerWaalsContact O-CG1 3.23Å; C12-I16 WeakPolarHBondContact O-CG1 3.11Å; C12-C40 HydrophobicContact CB-CB 4.13Å; C12-C40 WeakPolarHBondContact CB-SG 3.26Å; C12-C40 WeakPolarHBondContact SG-CB 3.17Å; C12-C40 CovalentContact SG-SG 2.06Å; C12-C40 PolarHBondContact SG-SG 3.18Å
13L53.5Low52.2Low86 Ų8697.5 Ų97.545%0.4551%0.505SS..Hα-helixtrans-66.9-39.3176.3-72.9166.3000113.3L9 L10 V11 I16L9-L13 VanDerWaalsContact O-CG 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 3.14Å; V11-L13 VanDerWaalsContact C-N 3.27Å; V11-L13 PolarHBondContact O-N 2.94Å; L13-I16 PolarHBondContact O-N 3.43Å
14I55.2Low52Low116 Ų11693.3 Ų93.360%0.59550%0.495SS*.Hα-helixtrans-68.9-37.4-179-66.7162.5000111.7L10 V11 I16 G17L10-I14 HydrophobicContact CD2-CD1 4.13Å; L10-I14 WeakPolarHBondContact O-CD1 3.23Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.22Å; L10-I14 PolarHBondContact O-N 3.1Å; V11-I14 PolarHBondContact O-N 2.75Å; I14-I16 PolarHBondContact O-N 2.9Å; I14-G17 PolarHBondContact O-N 3.38Å
15L52.7Low51.6Low114 Ų11492.5 Ų92.560%0.59749%0.491SS*.Hα-helixtrans-68.7-21.2179.6-76.2163.1000113.3V11V11-L15 HydrophobicContact CG1-CD1 4.22Å; V11-L15 PolarHBondContact O-N 3.36Å
16I56.5Low51.5Low51 Ų5192.1 Ų92.126%0.26249%0.488SS..Hα-helixtrans-85.8-16.1179.6-63.3166000111.3C12 L13 I14 L18 L47 Y65C12-I16 WeakPolarHBondContact O-CD1 3.49Å; C12-I16 VanDerWaalsContact O-CG1 3.23Å; C12-I16 WeakPolarHBondContact O-CG1 3.11Å; L13-I16 PolarHBondContact O-N 3.43Å; I14-I16 PolarHBondContact O-N 2.9Å; I16-L18 PolarHBondContact O-N 3.38Å; I16-L47 HydrophobicContact CD1-CD2 4.42Å; I16-Y65 HydrophobicContact CD1-CD2 3.59Å; I16-Y65 HydrophobicContact CD1-CE2 4.24Å; I16-Y65 HydrophobicContact CD1-CG 4.04Å; I16-Y65 HydrophobicContact CG1-CD2 4.46Å; I16-Y65 HydrophobicContact CG2-CD2 3.78Å; I16-Y65 HydrophobicContact CG2-CE2 3.56Å
17G51.8Low51.3Low58 Ų5893.9 Ų93.960%0.59850%0.5SS*.  trans-70.313.3175.900000116I14 P19I14-G17 PolarHBondContact O-N 3.38Å; G17-P19 WeakPolarHBondContact O-CD 3.15Å
18L48.6Very low51.1Low139 Ų13996.4 Ų96.473%0.72851%0.505SS*.  trans-110.369.1170.3-100.3115.1000112I16 E20I16-L18 PolarHBondContact O-N 3.38Å; L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 3.26Å
19P53.6Low51Low43 Ų43102.2 Ų102.228%0.27953%0.531SS..THydrogen-bonded Turntrans-83.312.317634.5-35.6000114.3G17 K21 Q22 A23G17-P19 WeakPolarHBondContact O-CD 3.15Å; P19-K21 PolarHBondContact O-N 3.18Å; P19-K21 VanDerWaalsContact O-N 3.14Å; P19-Q22 PolarHBondContact O-N 3.21Å; P19-A23 PolarHBondContact O-N 3.44Å
20E50Low50.6Low177 Ų177102.9 Ų102.983%0.82756%0.555SS**THydrogen-bonded Turntrans-60.6-25.8178.1-89.1-164.890.800112.9L18L18-E20 VanDerWaalsContact C-N 3.28Å; L18-E20 PolarHBondContact O-N 3.26Å
21K48.7Very low50.3Low180 Ų180105.1 Ų105.178%0.78357%0.566SS**THydrogen-bonded Turntrans-95.2-16.9178.2-71.4-171.1176.8-177.20115P19P19-K21 PolarHBondContact O-N 3.18Å; P19-K21 VanDerWaalsContact O-N 3.14Å
22Q49Very low50.1Low91 Ų91106.1 Ų106.143%0.42557%0.573SS.*THydrogen-bonded Turntrans-81.4-31.4176.3-87.2-177.5-23.800112.2P19 H24 L25 Q26P19-Q22 PolarHBondContact O-N 3.21Å; Q22-H24 PolarHBondContact O-N 3.4Å; Q22-L25 PolarHBondContact O-N 2.77Å; Q22-L25 VanDerWaalsContact O-N 3.12Å; Q22-Q26 PolarHBondContact O-N 3.24Å
23A49.2Very low49.8Very low55 Ų55110.1 Ų110.146%0.45560%0.601SS.*Hα-helixtrans-61.1-28.4173.600000112.9P19P19-A23 PolarHBondContact O-N 3.44Å
24H44.9Very low49.9Very low139 Ų139110 Ų11064%0.64460%0.595SS**Hα-helixtrans-75.1-25177.8-159.653.8000113.4Q22Q22-H24 PolarHBondContact O-N 3.4Å
25L44.7Very low49.7Very low128 Ų128111.3 Ų111.367%0.6760%0.603SS**Hα-helixtrans-85-28.4176.7-75160.1000112.3Q22 S27Q22-L25 PolarHBondContact O-N 2.77Å; Q22-L25 VanDerWaalsContact O-N 3.12Å; L25-S27 VanDerWaalsContact C-N 3.35Å; L25-S27 PolarHBondContact O-N 3.4Å
26Q50Low49.7Very low94 Ų94110 Ų11044%0.43960%0.6SS.*Hα-helixtrans-63.8-35175.6-83.3-171.6-2300113.8Q22 R28 V32Q22-Q26 PolarHBondContact O-N 3.24Å; Q26-R28 VanDerWaalsContact C-N 3.31Å; Q26-R28 PolarHBondContact O-N 3Å; Q26-V32 HydrophobicContact CG-CG2 3.56Å
27S48.7Very low49.6Very low107 Ų107111.6 Ų111.675%0.74861%0.613SS**THydrogen-bonded Turntrans-78.8-9.6-173.5-63.40000114.8L25L25-S27 VanDerWaalsContact C-N 3.35Å; L25-S27 PolarHBondContact O-N 3.4Å
28R49.9Very low50.1Low201 Ų201112 Ų11276%0.75860%0.599SS**THydrogen-bonded Turntrans-111.6-21.8-176.9-77.6-170169.9-167.5-1.6114.5Q26Q26-R28 VanDerWaalsContact C-N 3.31Å; Q26-R28 PolarHBondContact O-N 3Å
29H50.3Low50.7Low141 Ų141108.9 Ų108.965%0.65359%0.585SS**  trans-137.1101.7-178.3-70.3-108.8000107L31H29-L31 PolarHBondContact O-N 3.31Å
30G45Very low51Low86 Ų86107.1 Ų107.189%0.88757%0.574SS**SBendtrans-65.333.1-178.700000115.3
31L47Very low51.3Low149 Ų149110 Ų11078%0.7858%0.578SS**  trans-143.487.1179.7-74.4163.8000106.5H29 S33H29-L31 PolarHBondContact O-N 3.31Å; L31-S33 VanDerWaalsContact C-N 3.27Å; L31-S33 PolarHBondContact O-N 3.19Å
32V49.6Very low51.6Low67 Ų67107.4 Ų107.441%0.40657%0.566SS.*  trans-74.292.6163.1-179.10000106Q26 Y34Q26-V32 HydrophobicContact CG-CG2 3.56Å; V32-Y34 HydrophobicContact CB-CD2 4.16Å; V32-Y34 HydrophobicContact CB-CE2 3.81Å; V32-Y34 HydrophobicContact CG1-CD1 4.09Å; V32-Y34 HydrophobicContact CG1-CD2 3.71Å; V32-Y34 HydrophobicContact CG1-CE1 3.95Å; V32-Y34 HydrophobicContact CG1-CE2 3.55Å; V32-Y34 HydrophobicContact CG1-CG 3.98Å; V32-Y34 VanDerWaalsContact O-CD2 3.24Å; V32-Y34 WeakPolarHBondContact O-CD2 3.47Å; V32-Y34 PolarHBondContact O-N 3.1Å
33S47.6Very low52Low90 Ų90104.8 Ų104.863%0.62956%0.557SS**  trans-64.397159.7-70.50000106.7L31 D35L31-S33 VanDerWaalsContact C-N 3.27Å; L31-S33 PolarHBondContact O-N 3.19Å; S33-D35 PolarHBondContact O-N 3.41Å
34Y54.3Low52.8Low84 Ų84110.3 Ų110.333%0.32957%0.571SS.*THydrogen-bonded Turntrans-64.210.4165.1-70-87.2000112.4V32 V36 L49 V53V32-Y34 HydrophobicContact CB-CD2 4.16Å; V32-Y34 HydrophobicContact CB-CE2 3.81Å; V32-Y34 HydrophobicContact CG1-CD1 4.09Å; V32-Y34 HydrophobicContact CG1-CD2 3.71Å; V32-Y34 HydrophobicContact CG1-CE1 3.95Å; V32-Y34 HydrophobicContact CG1-CE2 3.55Å; V32-Y34 HydrophobicContact CG1-CG 3.98Å; V32-Y34 VanDerWaalsContact O-CD2 3.24Å; V32-Y34 WeakPolarHBondContact O-CD2 3.47Å; V32-Y34 PolarHBondContact O-N 3.1Å; Y34-V36 PolarHBondContact O-N 3Å; Y34-L49 HydrophobicContact CD1-CD1 4.31Å; Y34-L49 HydrophobicContact CD1-CD2 4.13Å; Y34-L49 HydrophobicContact CG-CD2 4.2Å; Y34-V53 HydrophobicContact CE1-CG1 4.1Å
35D51.3Low53.6Low143 Ų143104.7 Ų104.777%0.76555%0.547SS*.THydrogen-bonded Turntrans-84.110.7-178.9-143.9-101.5000113.1S33 P37S33-D35 PolarHBondContact O-N 3.41Å; D35-P37 WeakPolarHBondContact O-CD 3.18Å
36V52.4Low54.5Low88 Ų88104.6 Ų104.653%0.53354%0.543SS..SBendtrans-77.7112.7171.4-1770000107.5Y34 F38Y34-V36 PolarHBondContact O-N 3Å; V36-F38 HydrophobicContact CB-CE2 4.32Å; V36-F38 HydrophobicContact CB-CZ 4.42Å; V36-F38 WeakPolarHBondContact O-CD2 3.46Å; V36-F38 WeakPolarHBondContact O-CE2 3.3Å; V36-F38 PolarHBondContact O-N 3.05Å
37P55.6Low55Low84 Ų84100.9 Ų100.955%0.54553%0.526SS..  trans-62.7106.217325.9-32.8000107.9D35 T39D35-P37 WeakPolarHBondContact O-CD 3.18Å; P37-T39 PolarHBondContact O-N 2.06Å
38F61Low55.4Low65 Ų6598.5 Ų98.529%0.28551%0.513SS..EExtended strand (participates in β ladder)trans-75.1125.2171.3-68.8-84.3000107.4V36 L47 Y65V36-F38 HydrophobicContact CB-CE2 4.32Å; V36-F38 HydrophobicContact CB-CZ 4.42Å; V36-F38 WeakPolarHBondContact O-CD2 3.46Å; V36-F38 WeakPolarHBondContact O-CE2 3.3Å; V36-F38 PolarHBondContact O-N 3.05Å; F38-L47 HydrophobicContact CB-CB 3.96Å; F38-L47 HydrophobicContact CB-CD1 3.74Å; F38-L47 HydrophobicContact CB-CG 4.5Å; F38-L47 VanDerWaalsContact O-CB 3.3Å; F38-L47 WeakPolarHBondContact O-CB 3.16Å; F38-L47 WeakPolarHBondContact O-CD1 3.24Å; F38-L47 PolarHBondContact O-N 3.38Å; F38-Y65 HydrophobicContact CD2-CD1 4.39Å; F38-Y65 AromaticContact CD2-CE1 3.55Å; F38-Y65 HydrophobicContact CD2-CE1 3.55Å; F38-Y65 AromaticContact CE2-CE1 3.94Å; F38-Y65 HydrophobicContact CE2-CE1 3.94Å; F38-Y65 WeakPolarHBondContact CE2-OH 3.33Å; F38-Y65 HydrophobicContact CG-CE1 4.25Å
39T61.4Low55.8Low74 Ų7491.7 Ų91.745%0.45449%0.491SS..EExtended strand (participates in β ladder)trans-105.5123.2174.6-55.60000107.9P37 W41 K44 C45P37-T39 PolarHBondContact O-N 2.06Å; T39-W41 PolarHBondContact O-N 3.09Å; T39-K44 HydrophobicContact CG2-CB 4.42Å; T39-K44 WeakPolarHBondContact CG2-O 3.43Å; T39-C45 WeakPolarHBondContact CA-O 3.41Å
40C59.7Low56Low6 Ų689.6 Ų89.64%0.04148%0.484CS..  trans-68.2122.5176.7-178.90000109C12 K42 C43 K44 C45 L47C12-C40 HydrophobicContact CB-CB 4.13Å; C12-C40 WeakPolarHBondContact CB-SG 3.26Å; C12-C40 WeakPolarHBondContact SG-CB 3.17Å; C12-C40 CovalentContact SG-SG 2.06Å; C12-C40 PolarHBondContact SG-SG 3.18Å; C40-K42 PolarHBondContact O-N 3.33Å; C40-C43 WeakPolarHBondContact CB-SG 3.23Å; C40-C43 PolarHBondContact O-N 3.38Å; C40-K44 VanDerWaalsContact O-CA 3.28Å; C40-K44 WeakPolarHBondContact O-CA 3.4Å; C40-K44 PolarHBondContact O-N 3.43Å; C40-C45 PolarHBondContact N-O 2.96Å; C40-L47 HydrophobicContact CB-CD1 3.89Å; C40-L47 HydrophobicContact CB-CG 4.43Å
41W56.5Low56.2Low239 Ų23988 Ų8891%0.90547%0.468SS*.THydrogen-bonded Turntrans-53.7-31-177.3-177.5-91.5000113.2T39T39-W41 PolarHBondContact O-N 3.09Å
42K55.6Low56.1Low125 Ų12587.4 Ų87.454%0.54347%0.466SS..THydrogen-bonded Turntrans-84.1-44.7-175-165171-176.2177.60113.9V11 C40V11-K42 HydrophobicContact CG1-CD 4.13Å; C40-K42 PolarHBondContact O-N 3.33Å
43C58.3Low56.1Low35 Ų3585 Ų8524%0.23645%0.451CS..THydrogen-bonded Turntrans-103.4-6.2-177.752.70000114.3T8 C40 C45 C67T8-C43 HydrophobicContact CG2-CB 3.65Å; C40-C43 WeakPolarHBondContact CB-SG 3.23Å; C40-C43 PolarHBondContact O-N 3.38Å; C43-C45 PolarHBondContact O-N 3.43Å; C43-C45 PolarHBondContact O-SG 2.79Å; C43-C67 PolarHBondContact SG-SG 3.01Å
44K65.2Low56Low172 Ų17285 Ų8575%0.74845%0.451SS*.  trans55.413.2-174.1-58.9-168.5178-174.80114.7T39 C40T39-K44 HydrophobicContact CG2-CB 4.42Å; T39-K44 WeakPolarHBondContact CG2-O 3.43Å; C40-K44 VanDerWaalsContact O-CA 3.28Å; C40-K44 WeakPolarHBondContact O-CA 3.4Å; C40-K44 PolarHBondContact O-N 3.43Å
45C62.2Low55.4Low20 Ų2091.3 Ų91.314%0.13548%0.475CS..  trans-76.7146.3176.8-57.50000110.6T39 C40 C43 L47 C67T39-C45 WeakPolarHBondContact CA-O 3.41Å; C40-C45 PolarHBondContact N-O 2.96Å; C43-C45 PolarHBondContact O-N 3.43Å; C43-C45 PolarHBondContact O-SG 2.79Å; C45-L47 PolarHBondContact O-N 3.03Å; C45-C67 WeakPolarHBondContact CB-SG 3.47Å; C45-C67 VanDerWaalsContact SG-SG 3.65Å
46H63.9Low54.9Low126 Ų12692.4 Ų92.458%0.58347%0.473SS*.EExtended strand (participates in β ladder)trans-69.1121.3167.1-74.2-89.8000109.3A48H46-A48 PolarHBondContact O-N 2.7Å
47L59.3Low54.7Low16 Ų1689.3 Ų89.38%0.08445%0.454CS..EExtended strand (participates in β ladder)trans-80.7110170.4-71.2137.3000107I16 F38 C40 C45 Y65 C67I16-L47 HydrophobicContact CD1-CD2 4.42Å; F38-L47 HydrophobicContact CB-CB 3.96Å; F38-L47 HydrophobicContact CB-CD1 3.74Å; F38-L47 HydrophobicContact CB-CG 4.5Å; F38-L47 VanDerWaalsContact O-CB 3.3Å; F38-L47 WeakPolarHBondContact O-CB 3.16Å; F38-L47 WeakPolarHBondContact O-CD1 3.24Å; F38-L47 PolarHBondContact O-N 3.38Å; C40-L47 HydrophobicContact CB-CD1 3.89Å; C40-L47 HydrophobicContact CB-CG 4.43Å; C45-L47 PolarHBondContact O-N 3.03Å; L47-Y65 HydrophobicContact CB-CD1 4.12Å; L47-Y65 HydrophobicContact CB-CG 4.5Å; L47-Y65 VanDerWaalsContact CD2-CB 3.48Å; L47-Y65 HydrophobicContact CD2-CG 4.41Å; L47-C67 HydrophobicContact CD2-CB 4.38Å
48A57.2Low54.2Low57 Ų5794.6 Ų94.647%0.47147%0.469SS..EExtended strand (participates in β ladder)trans-81.8133.3168.800000108.1H46 L50 Q66H46-A48 PolarHBondContact O-N 2.7Å; A48-L50 PolarHBondContact O-N 3.49Å; A48-Q66 PolarHBondContact N-O 3.44Å; A48-Q66 PolarHBondContact O-N 3.31Å
49L58Low53.5Low58 Ų58100 Ų10030%0.30450%0.495SS..EExtended strand (participates in β ladder)trans-61.6116.7170.7-164.777.5000107.9Y34 G51 V53 V63 Y65Y34-L49 HydrophobicContact CD1-CD1 4.31Å; Y34-L49 HydrophobicContact CD1-CD2 4.13Å; Y34-L49 HydrophobicContact CG-CD2 4.2Å; L49-G51 PolarHBondContact O-N 3.33Å; L49-V53 HydrophobicContact CD1-CG2 3.75Å; L49-V53 HydrophobicContact CD2-CB 3.91Å; L49-V53 HydrophobicContact CD2-CG2 3.46Å; L49-V53 VanDerWaalsContact CD2-CG2 3.46Å; L49-V53 HydrophobicContact CG-CB 4.43Å; L49-V53 HydrophobicContact CG-CG2 3.49Å; L49-V53 VanDerWaalsContact CG-CG2 3.49Å; L49-V63 HydrophobicContact CD1-CG1 3.67Å; L49-Y65 HydrophobicContact CD1-CD1 4.18Å; L49-Y65 HydrophobicContact CD1-CE1 3.66Å
50L55.2Low52.9Low97 Ų97102.5 Ų102.551%0.50850%0.503SS..  trans-89.1103.2-179.3-14883.8000109.6A48 Q66A48-L50 PolarHBondContact O-N 3.49Å; L50-Q66 HydrophobicContact CB-CB 4.24Å; L50-Q66 HydrophobicContact CD1-CB 3.67Å; L50-Q66 HydrophobicContact CD1-CG 4.34Å; L50-Q66 HydrophobicContact CD2-CB 4.42Å; L50-Q66 HydrophobicContact CG-CB 4.32Å
51G48.6Very low52.6Low53 Ų53108.2 Ų108.255%0.54653%0.533SS..SBendtrans95.8162.8172.600000114.6L49 V53L49-G51 PolarHBondContact O-N 3.33Å; G51-V53 WeakPolarHBondContact O-CG2 3.3Å; G51-V53 PolarHBondContact O-N 3.17Å
52D46.3Very low52.4Low136 Ų136102.3 Ų102.373%0.72752%0.518SS*.  trans-69.891.4-177-149.4-58000110.2S54D52-S54 PolarHBondContact O-N 3.37Å; D52-S54 VanDerWaalsContact O-N 3.1Å; D52-S54 VanDerWaalsContact OD1-CB 3.23Å; D52-S54 WeakPolarHBondContact OD1-CB 3.28Å; D52-S54 PolarHBondContact OD1-OG 3.31Å
53V49.7Very low52.3Low17 Ų1798 Ų9810%0.10350%0.502CS..THydrogen-bonded Turntrans-74.87-176.6-169.70000111.9Y34 L49 G51 R55 V57 V63Y34-V53 HydrophobicContact CE1-CG1 4.1Å; L49-V53 HydrophobicContact CD1-CG2 3.75Å; L49-V53 HydrophobicContact CD2-CB 3.91Å; L49-V53 HydrophobicContact CD2-CG2 3.46Å; L49-V53 VanDerWaalsContact CD2-CG2 3.46Å; L49-V53 HydrophobicContact CG-CB 4.43Å; L49-V53 HydrophobicContact CG-CG2 3.49Å; L49-V53 VanDerWaalsContact CG-CG2 3.49Å; G51-V53 WeakPolarHBondContact O-CG2 3.3Å; G51-V53 PolarHBondContact O-N 3.17Å; V53-R55 VanDerWaalsContact C-N 3.25Å; V53-R55 PolarHBondContact O-N 3.48Å; V53-V57 HydrophobicContact CG1-CB 4.13Å; V53-V57 HydrophobicContact CG1-CG2 3.14Å; V53-V63 HydrophobicContact CG1-CG1 4.5Å; V53-V63 HydrophobicContact CG1-CG2 4.47Å
54S45.2Very low52.1Low90 Ų90101.5 Ų101.563%0.62952%0.517SS*.THydrogen-bonded Turntrans-68.3-17.5-176-55.70000114.5D52D52-S54 PolarHBondContact O-N 3.37Å; D52-S54 VanDerWaalsContact O-N 3.1Å; D52-S54 VanDerWaalsContact OD1-CB 3.23Å; D52-S54 WeakPolarHBondContact OD1-CB 3.28Å; D52-S54 PolarHBondContact OD1-OG 3.31Å
55R40.8Very low51.8Low217 Ų21794 Ų9482%0.81948%0.484SS*.THydrogen-bonded Turntrans-128.6-20.8-175.7-70.6-176.6178.7176.30.1116.1V53V53-R55 VanDerWaalsContact C-N 3.25Å; V53-R55 PolarHBondContact O-N 3.48Å
56F41.6Very low51.3Low165 Ų16597.6 Ų97.672%0.72450%0.499SS*.THydrogen-bonded Turntrans-85.9-29.9-175.9-96.4-90.3000114.3F58 H59 M60F56-F58 PolarHBondContact O-N 3.44Å; F56-H59 PolarHBondContact O-N 3Å; F56-M60 PolarHBondContact O-N 3.46Å; F56-M60 VanDerWaalsContact O-N 3.1Å
57V48Very low51.1Low24 Ų2492 Ų9215%0.14547%0.474CS..THydrogen-bonded Turntrans-68.3-22.5-179.5167.80000113.1V53 H59 M60 V63V53-V57 HydrophobicContact CG1-CB 4.13Å; V53-V57 HydrophobicContact CG1-CG2 3.14Å; V57-H59 VanDerWaalsContact C-N 3.26Å; V57-H59 PolarHBondContact O-N 3.33Å; V57-M60 WeakPolarHBondContact CA-O 3.26Å; V57-V63 HydrophobicContact CG2-CG2 3.64Å
58F45.3Very low50.9Low195 Ų19595.8 Ų95.886%0.85549%0.494SS*.THydrogen-bonded Turntrans-71.6-20.7179.7-126-89.3000113.6F56F56-F58 PolarHBondContact O-N 3.44Å
59H46.1Very low50.9Low178 Ų17897 Ų9782%0.82449%0.492SS*.THydrogen-bonded Turntrans-116.4-26.4-177.8-102.6-91.7000113.7F56 V57F56-H59 PolarHBondContact O-N 3Å; V57-H59 VanDerWaalsContact C-N 3.26Å; V57-H59 PolarHBondContact O-N 3.33Å
60M47.9Very low50.7Low126 Ų12699.4 Ų99.462%0.62151%0.51SS*.SBendtrans-137.8119.2175.9-69.1-160.1167.700108.4F56 V57 I62F56-M60 PolarHBondContact O-N 3.46Å; F56-M60 VanDerWaalsContact O-N 3.1Å; V57-M60 WeakPolarHBondContact CA-O 3.26Å; M60-I62 PolarHBondContact O-N 3.37Å
61N53Low50.3Low126 Ų126106.8 Ų106.867%0.67454%0.541SS*.  trans-73.349.2-175.9-152.46.9000111.7
62I52.7Low50.4Low116 Ų116109.5 Ų109.560%0.59554%0.541SS*.  trans-124.8109.8-174.7-56.3177.1000107.6M60 I64M60-I62 PolarHBondContact O-N 3.37Å; I62-I64 HydrophobicContact CG2-CG1 4.01Å
63V54.7Low50.6Low35 Ų35108.1 Ų108.121%0.21253%0.531CS..  trans-105.6117.6169.2-171.20000107.7L49 V53 V57 Y65L49-V63 HydrophobicContact CD1-CG1 3.67Å; V53-V63 HydrophobicContact CG1-CG1 4.5Å; V53-V63 HydrophobicContact CG1-CG2 4.47Å; V57-V63 HydrophobicContact CG2-CG2 3.64Å; V63-Y65 HydrophobicContact CB-CD2 4.29Å; V63-Y65 HydrophobicContact CB-CE2 3.68Å; V63-Y65 HydrophobicContact CG1-CD2 3.82Å; V63-Y65 HydrophobicContact CG1-CE1 4.23Å; V63-Y65 HydrophobicContact CG1-CE2 3.24Å; V63-Y65 VanDerWaalsContact CG1-CZ 3.48Å
64I54.2Low50.7Low108 Ų108113.1 Ų113.155%0.55456%0.555SS**PPolyproline II helixtrans-94.9117.2176.7-54.7177.5000107.6I62I62-I64 HydrophobicContact CG2-CG1 4.01Å
65Y57.7Low51Low15 Ų15114.5 Ų114.56%0.05955%0.55CS.*EExtended strand (participates in β ladder)trans-102.3134.6173.1-66.2-94000109.4I16 F38 L47 L49 V63I16-Y65 HydrophobicContact CD1-CD2 3.59Å; I16-Y65 HydrophobicContact CD1-CE2 4.24Å; I16-Y65 HydrophobicContact CD1-CG 4.04Å; I16-Y65 HydrophobicContact CG1-CD2 4.46Å; I16-Y65 HydrophobicContact CG2-CD2 3.78Å; I16-Y65 HydrophobicContact CG2-CE2 3.56Å; F38-Y65 HydrophobicContact CD2-CD1 4.39Å; F38-Y65 AromaticContact CD2-CE1 3.55Å; F38-Y65 HydrophobicContact CD2-CE1 3.55Å; F38-Y65 AromaticContact CE2-CE1 3.94Å; F38-Y65 HydrophobicContact CE2-CE1 3.94Å; F38-Y65 WeakPolarHBondContact CE2-OH 3.33Å; F38-Y65 HydrophobicContact CG-CE1 4.25Å; L47-Y65 HydrophobicContact CB-CD1 4.12Å; L47-Y65 HydrophobicContact CB-CG 4.5Å; L47-Y65 VanDerWaalsContact CD2-CB 3.48Å; L47-Y65 HydrophobicContact CD2-CG 4.41Å; L49-Y65 HydrophobicContact CD1-CD1 4.18Å; L49-Y65 HydrophobicContact CD1-CE1 3.66Å; V63-Y65 HydrophobicContact CB-CD2 4.29Å; V63-Y65 HydrophobicContact CB-CE2 3.68Å; V63-Y65 HydrophobicContact CG1-CD2 3.82Å; V63-Y65 HydrophobicContact CG1-CE1 4.23Å; V63-Y65 HydrophobicContact CG1-CE2 3.24Å; V63-Y65 VanDerWaalsContact CG1-CZ 3.48Å
66Q52.5Low51.7Low94 Ų94108.1 Ų108.144%0.43953%0.534SS..EExtended strand (participates in β ladder)trans-102.2123.9172.3-167.8170.3-17.200109.4A48 L50 N68A48-Q66 PolarHBondContact N-O 3.44Å; A48-Q66 PolarHBondContact O-N 3.31Å; L50-Q66 HydrophobicContact CB-CB 4.24Å; L50-Q66 HydrophobicContact CD1-CB 3.67Å; L50-Q66 HydrophobicContact CD1-CG 4.34Å; L50-Q66 HydrophobicContact CD2-CB 4.42Å; L50-Q66 HydrophobicContact CG-CB 4.32Å; Q66-N68 PolarHBondContact O-N 3.5Å
67C58.6Low52.3Low10 Ų10104.3 Ų104.37%0.06852%0.521CS..EExtended strand (participates in β ladder)trans-79.1110.6169.4178.20000108.4L9 C43 C45 L47L9-C67 HydrophobicContact CD2-CB 3.86Å; C43-C67 PolarHBondContact SG-SG 3.01Å; C45-C67 WeakPolarHBondContact CB-SG 3.47Å; C45-C67 VanDerWaalsContact SG-SG 3.65Å; L47-C67 HydrophobicContact CD2-CB 4.38Å
68N56.4Low52.6Low94 Ų94110 Ų11050%0.50355%0.548SS..  trans-88114.1174.1-162.2-3.6000109.4Q66 T70Q66-N68 PolarHBondContact O-N 3.5Å; N68-T70 PolarHBondContact ND2-OG1 3.5Å; N68-T70 VanDerWaalsContact ND2-OG1 3.1Å; N68-T70 PolarHBondContact O-N 3.43Å; N68-T70 PolarHBondContact OD1-OG1 2.98Å
69L57.4Low53.2Low82 Ų82103.5 Ų103.543%0.42952%0.524SS..  trans-87.928.5-176.8-78156.7000112.6M5 H71M5-L69 HydrophobicContact CB-CD1 4.39Å; M5-L69 HydrophobicContact CE-CD1 4.39Å; M5-L69 HydrophobicContact CG-CD1 3.95Å; L69-H71 VanDerWaalsContact C-N 3.34Å; L69-H71 PolarHBondContact O-N 3.17Å
70T53.5Low53.8Low110 Ų11097.3 Ų97.368%0.67550%0.499SS*.  trans-92.524-174.534.50000114.5N68N68-T70 PolarHBondContact ND2-OG1 3.5Å; N68-T70 VanDerWaalsContact ND2-OG1 3.1Å; N68-T70 PolarHBondContact O-N 3.43Å; N68-T70 PolarHBondContact OD1-OG1 2.98Å
71H47.2Very low54.3Low251 Ų25194.6 Ų94.6100%1.16249%0.488SS*.  trans-132.20174.7-115-79000112.1L69L69-H71 VanDerWaalsContact C-N 3.34Å; L69-H71 PolarHBondContact O-N 3.17Å

Retrieved 71 of 71 residues in 45 ms (Link to these results)