A0A5K4FC13_SCHMA Loading...

HA2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 82 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
1M43.1Very low67.4Low238 Ų238126.8 Ų126.8100%1.17272%0.719SS**  0121.10-70.5176.5173.300107S3M1-S3 PolarHBondContact O-N 2.93Å
2A51.3Low69.4Low105 Ų105127 Ų12787%0.86872%0.717SS**  trans-64117.9176.700000108.3K4A2-K4 PolarHBondContact O-N 3.09Å
3S57.4Low71.2Confident116 Ų116121.2 Ų121.281%0.81170%0.695SS**  trans-55.5111.2171.5-34.90000106.6M1M1-S3 PolarHBondContact O-N 2.93Å
4K61Low72.7Confident180 Ų180115.2 Ų115.278%0.78366%0.659SS**  trans-53.6130.3174.7-157.7172.9-174.7179.60106.3A2A2-K4 PolarHBondContact O-N 3.09Å
5P64.4Low74.1Confident102 Ų102110.3 Ų110.366%0.66263%0.632SS**  trans-52.9143.7-17920.1-31.4000109.1V7P5-V7 PolarHBondContact O-N 3.48Å
6P65.8Low75.4Confident117 Ų117107.3 Ų107.376%0.7662%0.619SS**  trans-56.6115.1-179.422.8-31.7000108.3V8P6-V8 PolarHBondContact O-N 3.35Å; P6-V8 VanDerWaalsContact O-N 3.13Å
7V68.5Low76.6Confident129 Ų129104.8 Ų104.878%0.78261%0.609SS**  trans-69.8112.2176.1178.40000106.5P5P5-V7 PolarHBondContact O-N 3.48Å
8V76.3Confident77.6Confident118 Ų11899.8 Ų99.872%0.71558%0.58SS**  trans-86.1120.8175.7-176.40000107.6P6 Q10P6-V8 PolarHBondContact O-N 3.35Å; P6-V8 VanDerWaalsContact O-N 3.13Å; V8-Q10 PolarHBondContact O-N 3.36Å
9L79.8Confident78.5Confident59 Ų5999.6 Ų99.631%0.30957%0.572SS.*  trans-64.2120.2171.8-179.365.1000109K11 L14 L47 T50 L51L9-K11 PolarHBondContact O-N 3.24Å; L9-K11 VanDerWaalsContact O-N 3.09Å; L9-L14 HydrophobicContact CD1-CD2 4.27Å; L9-L14 HydrophobicContact CD2-CD2 3.8Å; L9-L14 HydrophobicContact CG-CD2 4.37Å; L9-L47 HydrophobicContact CB-CD1 4.24Å; L9-L47 HydrophobicContact CD2-CD1 3.83Å; L9-T50 HydrophobicContact CD2-CG2 3.87Å; L9-L51 HydrophobicContact CD2-CD2 3.96Å; L9-L51 HydrophobicContact CD2-CG 4.4Å
10Q87.3Confident79.4Confident148 Ų148100.4 Ų100.469%0.69257%0.571SS**  trans-76.796.5175.3-69-170.8-28.500109.6V8 N12 A13 L14V8-Q10 PolarHBondContact O-N 3.36Å; Q10-N12 VanDerWaalsContact C-N 3.31Å; Q10-N12 PolarHBondContact O-N 2.97Å; Q10-A13 HydrophobicContact CB-CB 3.93Å; Q10-A13 PolarHBondContact O-N 2.88Å; Q10-A13 VanDerWaalsContact O-N 3.13Å; Q10-L14 PolarHBondContact O-N 3.32Å
11K87Confident80.1Confident83 Ų8398.7 Ų98.736%0.36156%0.56SS.*Hα-helixtrans-48.5-50.7-177.3177176.6177.2-175.70112.3L9 A13 L14 V15 F53 I54L9-K11 PolarHBondContact O-N 3.24Å; L9-K11 VanDerWaalsContact O-N 3.09Å; K11-A13 VanDerWaalsContact C-N 3.33Å; K11-A13 PolarHBondContact O-N 3.23Å; K11-L14 PolarHBondContact O-N 2.96Å; K11-V15 HydrophobicContact CG-CG2 4.17Å; K11-V15 WeakPolarHBondContact O-CG2 3.5Å; K11-V15 PolarHBondContact O-N 3.31Å; K11-F53 HydrophobicContact CD-CD1 4.4Å; K11-I54 HydrophobicContact CB-CD1 4.33Å; K11-I54 HydrophobicContact CD-CD1 4.48Å; K11-I54 HydrophobicContact CD-CG1 4.12Å; K11-I54 HydrophobicContact CG-CD1 3.81Å; K11-I54 HydrophobicContact CG-CG1 3.9Å
12N90.6Very high82.6Confident129 Ų12991.2 Ų91.269%0.6952%0.522SS*.Hα-helixtrans-63.9-39.1-175.6-63.4-1.6000112.1Q10 L14 V15 S16Q10-N12 VanDerWaalsContact C-N 3.31Å; Q10-N12 PolarHBondContact O-N 2.97Å; N12-L14 VanDerWaalsContact C-N 3.35Å; N12-V15 PolarHBondContact O-N 3.15Å; N12-S16 PolarHBondContact O-N 3.35Å; N12-S16 PolarHBondContact O-OG 2.96Å; N12-S16 VanDerWaalsContact O-OG 3.13Å
13A92.8Very high84.7Confident52 Ų5293.1 Ų93.143%0.4351%0.513SS..Hα-helixtrans-66.8-38.117700000111.9Q10 K11 C17Q10-A13 HydrophobicContact CB-CB 3.93Å; Q10-A13 PolarHBondContact O-N 2.88Å; Q10-A13 VanDerWaalsContact O-N 3.13Å; K11-A13 VanDerWaalsContact C-N 3.33Å; K11-A13 PolarHBondContact O-N 3.23Å; A13-C17 WeakPolarHBondContact O-CB 3.34Å; A13-C17 PolarHBondContact O-N 2.9Å
14L93.2Very high86.5Confident37 Ų3792.5 Ų92.519%0.19451%0.507CS..Hα-helixtrans-66.4-46.1174.4179.259.8000111.1L9 Q10 K11 N12 S16 C17 L18 L51 I54 F56L9-L14 HydrophobicContact CD1-CD2 4.27Å; L9-L14 HydrophobicContact CD2-CD2 3.8Å; L9-L14 HydrophobicContact CG-CD2 4.37Å; Q10-L14 PolarHBondContact O-N 3.32Å; K11-L14 PolarHBondContact O-N 2.96Å; N12-L14 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.41Å; L14-C17 WeakPolarHBondContact O-CB 3.4Å; L14-C17 PolarHBondContact O-N 3.03Å; L14-C17 VanDerWaalsContact O-N 3.14Å; L14-L18 HydrophobicContact CD1-CD1 4.42Å; L14-L18 HydrophobicContact CD1-CG 4.26Å; L14-L18 HydrophobicContact CG-CD1 4.18Å; L14-L18 HydrophobicContact CG-CG 4.45Å; L14-L18 WeakPolarHBondContact O-CG 3.36Å; L14-L18 PolarHBondContact O-N 2.82Å; L14-L51 HydrophobicContact CD2-CD2 3.84Å; L14-I54 HydrophobicContact CD2-CD1 3.86Å; L14-F56 HydrophobicContact CD2-CE2 4.35Å
15V93.2Very high88.1Confident41 Ų4186.2 Ų86.225%0.24849%0.494CS..Hα-helixtrans-58.8-49.6178171.80000110.7K11 N12 C17 L18 E19 I54K11-V15 HydrophobicContact CG-CG2 4.17Å; K11-V15 WeakPolarHBondContact O-CG2 3.5Å; K11-V15 PolarHBondContact O-N 3.31Å; N12-V15 PolarHBondContact O-N 3.15Å; V15-C17 PolarHBondContact O-N 2.85Å; V15-L18 PolarHBondContact O-N 3.26Å; V15-E19 HydrophobicContact CG1-CG 4.36Å; V15-E19 WeakPolarHBondContact O-CG 3.48Å; V15-E19 PolarHBondContact O-N 3.13Å; V15-I54 HydrophobicContact CG2-CG2 4.01Å
16S95Very high89.6Confident62 Ų6283.9 Ų83.943%0.43448%0.478SS..Hα-helixtrans-60.1-35.4176.2-60.90000112.7N12 L14 E20N12-S16 PolarHBondContact O-N 3.35Å; N12-S16 PolarHBondContact O-OG 2.96Å; N12-S16 VanDerWaalsContact O-OG 3.13Å; L14-S16 PolarHBondContact O-N 3.41Å; S16-E20 VanDerWaalsContact O-CG 3.25Å; S16-E20 WeakPolarHBondContact O-CG 3.44Å; S16-E20 PolarHBondContact O-N 2.94Å
17C94.9Very high90.9Very high65 Ų6581.9 Ų81.944%0.43946%0.461SS..Hα-helixtrans-65.8-39.1173.8-178.10000112.3A13 L14 V15 L21A13-C17 WeakPolarHBondContact O-CB 3.34Å; A13-C17 PolarHBondContact O-N 2.9Å; L14-C17 WeakPolarHBondContact O-CB 3.4Å; L14-C17 PolarHBondContact O-N 3.03Å; L14-C17 VanDerWaalsContact O-N 3.14Å; V15-C17 PolarHBondContact O-N 2.85Å; C17-L21 WeakPolarHBondContact O-CB 3.41Å; C17-L21 VanDerWaalsContact O-CG 3.23Å; C17-L21 WeakPolarHBondContact O-CG 3.23Å; C17-L21 PolarHBondContact O-N 3.25Å
18L95.1Very high92Very high16 Ų1680.6 Ų80.68%0.08444%0.444CS..Hα-helixtrans-68.3-41.7177.8-64.6172000111.3L14 V15 E20 L21 E22 A29 I54 F56 L80L14-L18 HydrophobicContact CD1-CD1 4.42Å; L14-L18 HydrophobicContact CD1-CG 4.26Å; L14-L18 HydrophobicContact CG-CD1 4.18Å; L14-L18 HydrophobicContact CG-CG 4.45Å; L14-L18 WeakPolarHBondContact O-CG 3.36Å; L14-L18 PolarHBondContact O-N 2.82Å; V15-L18 PolarHBondContact O-N 3.26Å; L18-E20 VanDerWaalsContact C-N 3.34Å; L18-E20 PolarHBondContact O-N 3.39Å; L18-L21 PolarHBondContact O-N 3.19Å; L18-E22 WeakPolarHBondContact O-CB 3.32Å; L18-E22 PolarHBondContact O-N 3.13Å; L18-A29 HydrophobicContact CD2-CB 4Å; L18-I54 HydrophobicContact CD1-CG2 4.04Å; L18-F56 HydrophobicContact CD1-CE2 3.83Å; L18-F56 HydrophobicContact CD1-CZ 4.1Å; L18-F56 HydrophobicContact CD2-CZ 4.17Å; L18-L80 HydrophobicContact CB-CD2 3.93Å; L18-L80 HydrophobicContact CD2-CD2 4.17Å; L18-L80 HydrophobicContact CG-CD2 4.43Å
19E94.3Very high92.8Very high95 Ų9575.7 Ų75.744%0.44442%0.417SS..Hα-helixtrans-60-41.4174.7-68.8169166.300111.9V15 E22 Q23V15-E19 HydrophobicContact CG1-CG 4.36Å; V15-E19 WeakPolarHBondContact O-CG 3.48Å; V15-E19 PolarHBondContact O-N 3.13Å; E19-E22 WeakPolarHBondContact O-CB 3.46Å; E19-E22 PolarHBondContact O-N 3.4Å; E19-Q23 WeakPolarHBondContact O-CG 3.33Å; E19-Q23 PolarHBondContact O-N 3Å; E19-Q23 VanDerWaalsContact O-N 3.09Å
20E96.2Very high93.5Very high116 Ų11677.7 Ų77.754%0.54242%0.421SS..Hα-helixtrans-68.1-38.9175.8-72-74.2179.900112.2S16 L18 E22 Q23 C24S16-E20 VanDerWaalsContact O-CG 3.25Å; S16-E20 WeakPolarHBondContact O-CG 3.44Å; S16-E20 PolarHBondContact O-N 2.94Å; L18-E20 VanDerWaalsContact C-N 3.34Å; L18-E20 PolarHBondContact O-N 3.39Å; E20-E22 VanDerWaalsContact C-N 3.35Å; E20-Q23 PolarHBondContact O-N 3.26Å; E20-C24 PolarHBondContact O-N 3.14Å; E20-C24 PolarHBondContact O-SG 2.88Å
21L96Very high93.8Very high64 Ų6472.7 Ų72.734%0.33540%0.4SS..Hα-helixtrans-64.2-42175.6-74.1171.3000111.2C17 L18 C24 G25 V26 L80C17-L21 WeakPolarHBondContact O-CB 3.41Å; C17-L21 VanDerWaalsContact O-CG 3.23Å; C17-L21 WeakPolarHBondContact O-CG 3.23Å; C17-L21 PolarHBondContact O-N 3.25Å; L18-L21 PolarHBondContact O-N 3.19Å; L21-C24 WeakPolarHBondContact O-CB 3.42Å; L21-C24 PolarHBondContact O-N 3.05Å; L21-C24 VanDerWaalsContact O-N 3.13Å; L21-G25 PolarHBondContact O-N 3.09Å; L21-V26 HydrophobicContact CB-CB 4.03Å; L21-V26 HydrophobicContact CB-CG1 4.48Å; L21-V26 HydrophobicContact CB-CG2 4.26Å; L21-V26 HydrophobicContact CD2-CG2 4.08Å; L21-V26 VanDerWaalsContact O-CB 3.24Å; L21-V26 WeakPolarHBondContact O-CB 3.39Å; L21-V26 WeakPolarHBondContact O-CG2 3.38Å; L21-V26 PolarHBondContact O-N 3.06Å; L21-L80 HydrophobicContact CB-CD1 4.15Å
22E94.8Very high94.1Very high81 Ų8170.8 Ų70.838%0.37940%0.4SS..Hα-helixtrans-57.8-47.5173.9-172.2-169.3170.100111.2L18 E19 E20 C24 G25 L80L18-E22 WeakPolarHBondContact O-CB 3.32Å; L18-E22 PolarHBondContact O-N 3.13Å; E19-E22 WeakPolarHBondContact O-CB 3.46Å; E19-E22 PolarHBondContact O-N 3.4Å; E20-E22 VanDerWaalsContact C-N 3.35Å; E22-C24 PolarHBondContact O-N 3.04Å; E22-G25 WeakPolarHBondContact O-CA 3.25Å; E22-G25 PolarHBondContact O-N 3.5Å; E22-L80 HydrophobicContact CB-CB 4.15Å; E22-L80 HydrophobicContact CG-CB 4.18Å; E22-L80 VanDerWaalsContact CG-O 3.23Å; E22-L80 WeakPolarHBondContact CG-O 3.36Å; E22-L80 VanDerWaalsContact OE1-O 3.06Å
23Q94.8Very high94.1Very high146 Ų14665 Ų6568%0.68237%0.369SS*.Hα-helixtrans-61.5-29.6175.9-71.4174.941.700113.2E19 E20 G25E19-Q23 WeakPolarHBondContact O-CG 3.33Å; E19-Q23 PolarHBondContact O-N 3Å; E19-Q23 VanDerWaalsContact O-N 3.09Å; E20-Q23 PolarHBondContact O-N 3.26Å; Q23-G25 PolarHBondContact O-N 2.93Å
24C95.3Very high93.9Very high102 Ų10266.2 Ų66.269%0.68937%0.373SS*.THydrogen-bonded Turntrans-76.7-1.2173.4-66.70000113.6E20 L21 E22E20-C24 PolarHBondContact O-N 3.14Å; E20-C24 PolarHBondContact O-SG 2.88Å; L21-C24 WeakPolarHBondContact O-CB 3.42Å; L21-C24 PolarHBondContact O-N 3.05Å; L21-C24 VanDerWaalsContact O-N 3.13Å; E22-C24 PolarHBondContact O-N 3.04Å
25G94.6Very high93.6Very high49 Ų4968.6 Ų68.651%0.50538%0.382SS..THydrogen-bonded Turntrans8125.8-177.500000113.4L21 E22 Q23 N27L21-G25 PolarHBondContact O-N 3.09Å; E22-G25 WeakPolarHBondContact O-CA 3.25Å; E22-G25 PolarHBondContact O-N 3.5Å; Q23-G25 PolarHBondContact O-N 2.93Å; G25-N27 PolarHBondContact O-OD1 3.45Å
26V95.5Very high93Very high52 Ų5268.3 Ų68.332%0.31538%0.381SS..  trans-86.3120.6169.2-1800000108.8L21 K28 L80L21-V26 HydrophobicContact CB-CB 4.03Å; L21-V26 HydrophobicContact CB-CG1 4.48Å; L21-V26 HydrophobicContact CB-CG2 4.26Å; L21-V26 HydrophobicContact CD2-CG2 4.08Å; L21-V26 VanDerWaalsContact O-CB 3.24Å; L21-V26 WeakPolarHBondContact O-CB 3.39Å; L21-V26 WeakPolarHBondContact O-CG2 3.38Å; L21-V26 PolarHBondContact O-N 3.06Å; V26-K28 WeakPolarHBondContact CG1-O 3.23Å; V26-L80 HydrophobicContact CG1-CD1 4.37Å
27N93.1Very high92.1Very high76 Ų7675 Ų7541%0.40641%0.405SS..  trans-92.8-28.7-172.4-53.310.8000112.1G25 L80 H81G25-N27 PolarHBondContact O-OD1 3.45Å; N27-L80 PolarHBondContact O-N 3Å; N27-H81 VanDerWaalsContact CB-CD2 3.42Å; N27-H81 WeakPolarHBondContact CB-CD2 3.48Å; N27-H81 PolarHBondContact ND2-CD2 2.65Å; N27-H81 PolarHBondContact ND2-NE2 3Å; N27-H81 PolarHBondContact OD1-NE2 3.18Å
28K92.7Very high90.9Very high101 Ų10176 Ų7644%0.43941%0.413SS..EExtended strand (participates in β ladder)trans-138.9136.8-174-64.2-172.5178.2-1710110.4V26 Y30 T78 D79V26-K28 WeakPolarHBondContact CG1-O 3.23Å; K28-Y30 HydrophobicContact CB-CE2 4.33Å; K28-T78 WeakPolarHBondContact CA-O 3.22Å; K28-D79 WeakPolarHBondContact CE-OD2 3.47Å
29A93.7Very high89.3Confident16 Ų1678.2 Ų78.213%0.13244%0.439CS..EExtended strand (participates in β ladder)trans-119.6135.1173.200000110.2L18 F77 T78 L80L18-A29 HydrophobicContact CD2-CB 4Å; A29-F77 CarbonylContact O-C 3.48Å; A29-F77 VanDerWaalsContact O-CA 3.23Å; A29-F77 WeakPolarHBondContact O-CA 3.49Å; A29-T78 HydrophobicContact CB-CG2 4.01Å; A29-T78 PolarHBondContact N-O 3.2Å; A29-T78 VanDerWaalsContact N-O 3.1Å; A29-T78 PolarHBondContact O-N 3.38Å; A29-L80 HydrophobicContact CB-CD1 4.38Å
30Y94.2Very high87.8Confident100 Ų10079.3 Ų79.339%0.39244%0.444SS..EExtended strand (participates in β ladder)trans-113.1141.5178.5-61.6-78.2000110.9K28 L59 P63 L66 L76 F77K28-Y30 HydrophobicContact CB-CE2 4.33Å; Y30-L59 HydrophobicContact CD1-CD1 3.66Å; Y30-L59 HydrophobicContact CE1-CD1 3.86Å; Y30-L59 HydrophobicContact CE1-CD2 4.22Å; Y30-P63 HydrophobicContact CE1-CG 4.49Å; Y30-L66 HydrophobicContact CD1-CD1 3.83Å; Y30-L66 HydrophobicContact CD2-CD1 4.36Å; Y30-L66 HydrophobicContact CE1-CD1 4.16Å; Y30-L66 HydrophobicContact CG-CD1 3.92Å; Y30-L76 CarbonylContact C-O 3.56Å; Y30-L76 VanDerWaalsContact CA-O 3.3Å; Y30-L76 WeakPolarHBondContact CA-O 3.47Å; Y30-F77 HydrophobicContact CD1-CB 3.51Å; Y30-F77 HydrophobicContact CE1-CB 3.57Å; Y30-F77 HydrophobicContact CE1-CG 4.46Å
31V93.9Very high86.1Confident44 Ų4478.7 Ų78.727%0.26745%0.451SS..EExtended strand (participates in β ladder)trans-131.8131.6176.41770000110V33 L51 F56 L75 L76V31-V33 HydrophobicContact CG1-CG2 4.16Å; V31-L51 HydrophobicContact CB-CD1 4.49Å; V31-L51 HydrophobicContact CG1-CD1 3.79Å; V31-F56 HydrophobicContact CB-CE1 4.3Å; V31-F56 HydrophobicContact CG2-CD1 4.24Å; V31-F56 HydrophobicContact CG2-CE1 3.53Å; V31-F56 HydrophobicContact CG2-CZ 3.92Å; V31-L75 WeakPolarHBondContact O-CA 3.29Å; V31-L76 PolarHBondContact N-O 3.04Å; V31-L76 PolarHBondContact O-N 3.05Å
32A92.8Very high84.6Confident42 Ų4284.7 Ų84.735%0.34747%0.474SS..EExtended strand (participates in β ladder)trans-102.8115.7175.400000110.5Y73 L75A32-Y73 HydrophobicContact CB-CD1 3.81Å; A32-Y73 HydrophobicContact CB-CG 3.9Å; A32-L75 HydrophobicContact CB-CD2 3.55Å
33V90.3Very high83.5Confident7 Ų783.7 Ų83.74%0.04247%0.473CS..EExtended strand (participates in β ladder)trans-105.9123.7177.5-179.90000109.3V31 K35 L47 L51 Y73 R74 L76V31-V33 HydrophobicContact CG1-CG2 4.16Å; V33-K35 PolarHBondContact O-N 3.25Å; V33-L47 HydrophobicContact CG1-CD2 4.15Å; V33-L47 HydrophobicContact CG2-CD2 4.27Å; V33-L47 HydrophobicContact CG2-CG 4.46Å; V33-L51 HydrophobicContact CG2-CD1 3.66Å; V33-Y73 CarbonylContact O-C 3.51Å; V33-Y73 WeakPolarHBondContact O-CA 2.94Å; V33-R74 PolarHBondContact N-O 3.13Å; V33-R74 PolarHBondContact O-N 2.91Å; V33-L76 HydrophobicContact CB-CD1 4.28Å; V33-L76 HydrophobicContact CG2-CD1 3.63Å
34P88.7Confident82.7Confident79 Ų7980.7 Ų80.751%0.51346%0.464SS..EExtended strand (participates in β ladder)trans-54136.7179.4-25.331.7000112.4Y73P34-Y73 HydrophobicContact CB-CD1 4.4Å; P34-Y73 HydrophobicContact CB-CE1 4.38Å; P34-Y73 HydrophobicContact CG-CD1 4.07Å; P34-Y73 HydrophobicContact CG-CE1 3.82Å
35K86.9Confident82.2Confident87 Ų8777.6 Ų77.638%0.37844%0.442SS..PPolyproline II helixtrans-69.8145.7169.6-68.7178.2-170.4170.40109.7V33 Q37 S70 S71 D72 Y73 R74V33-K35 PolarHBondContact O-N 3.25Å; K35-Q37 PolarHBondContact O-N 3.35Å; K35-S70 VanDerWaalsContact CE-O 3.32Å; K35-S70 WeakPolarHBondContact CE-O 3.24Å; K35-S70 PolarHBondContact NZ-O 3.2Å; K35-S71 WeakPolarHBondContact CD-O 3.47Å; K35-S71 PolarHBondContact NZ-O 2.96Å; K35-D72 PolarHBondContact N-O 3.23Å; K35-Y73 VanDerWaalsContact CE-O 3.3Å; K35-Y73 WeakPolarHBondContact CE-O 3.42Å; K35-R74 HydrophobicContact CG-CG 3.78Å
36P81Confident81.8Confident35 Ų3580.3 Ų80.323%0.22745%0.451CS..PPolyproline II helixtrans-62.3130.1170.526.1-32.3000109.8S38 E40P36-S38 PolarHBondContact O-N 2.98Å; P36-E40 VanDerWaalsContact CG-O 3.26Å; P36-E40 WeakPolarHBondContact CG-O 3.27Å
37Q75Confident81.4Confident202 Ų20281.3 Ų81.394%0.94445%0.454SS*.THydrogen-bonded Turntrans-64.7-19.1176.5-66.9-174.75.100112.7K35 G39K35-Q37 PolarHBondContact O-N 3.35Å; Q37-G39 PolarHBondContact O-N 3.2Å
38S70.2Confident81.2Confident87 Ų8777.7 Ų77.761%0.60844%0.435SS*.THydrogen-bonded Turntrans-67.63.7-178.856.30000114.4P36 E40P36-S38 PolarHBondContact O-N 2.98Å; S38-E40 PolarHBondContact O-N 2.94Å; S38-E40 VanDerWaalsContact O-N 3.16Å
39G61.4Low81.1Confident62 Ų6280 Ų8064%0.63945%0.445SS*.SBendtrans67.813.7178.100000113.5Q37 P41Q37-G39 PolarHBondContact O-N 3.2Å; G39-P41 WeakPolarHBondContact O-CD 3.29Å
40E62.3Low81Confident117 Ų11781.4 Ų81.455%0.54745%0.452SS..  trans-91.593.8174-65.9-159.2128.100110.1P36 S38 K42 V43P36-E40 VanDerWaalsContact CG-O 3.26Å; P36-E40 WeakPolarHBondContact CG-O 3.27Å; S38-E40 PolarHBondContact O-N 2.94Å; S38-E40 VanDerWaalsContact O-N 3.16Å; E40-K42 PolarHBondContact O-N 3.44Å; E40-V43 HydrophobicContact CB-CG2 3.74Å; E40-V43 WeakPolarHBondContact OE2-CG2 3.42Å
41P61Low80.9Confident104 Ų10476.8 Ų76.868%0.67543%0.434SS*.THydrogen-bonded Turntrans-63.2-19.5-174.424.4-35.5000113.4G39 R74G39-P41 WeakPolarHBondContact O-CD 3.29Å; P41-R74 VanDerWaalsContact O-CZ 3.26Å; P41-R74 PolarHBondContact O-NH2 2.98Å
42K64Low80.8Confident190 Ų19079 Ų7983%0.82644%0.443SS*.THydrogen-bonded Turntrans-100.1-1.5-168.7-68-174.5-179.9-178.50115.5E40 V44E40-K42 PolarHBondContact O-N 3.44Å; K42-V44 PolarHBondContact O-N 2.9Å
43V72.2Confident80.8Confident59 Ų5984.3 Ų84.336%0.35846%0.459SS..  trans-69.8113179.5-177.80000109.1E40 T45 R74E40-V43 HydrophobicContact CB-CG2 3.74Å; E40-V43 WeakPolarHBondContact OE2-CG2 3.42Å; V43-T45 PolarHBondContact O-N 2.93Å; V43-R74 VanDerWaalsContact O-CZ 3.26Å; V43-R74 PolarHBondContact O-NH1 3.16Å; V43-R74 PolarHBondContact O-NH2 3.46Å
44V78.3Confident80.8Confident83 Ų8385.4 Ų85.450%0.50346%0.464SS..  trans-80.1107.1169.1177.20000106.9K42 L48 K49K42-V44 PolarHBondContact O-N 2.9Å; V44-L48 HydrophobicContact CB-CD2 4.42Å; V44-L48 HydrophobicContact CG1-CB 4.2Å; V44-L48 HydrophobicContact CG1-CD2 4.13Å; V44-L48 HydrophobicContact CG1-CG 4.36Å; V44-L48 HydrophobicContact CG2-CD2 4.39Å; V44-K49 HydrophobicContact CG1-CB 3.98Å
45T84.5Confident81Confident37 Ų3783.5 Ų83.523%0.22746%0.459CS..  trans-69.1156.4177.565.80000110.1V43 L47 L48 K49V43-T45 PolarHBondContact O-N 2.93Å; T45-L47 PolarHBondContact O-N 2.94Å; T45-L48 WeakPolarHBondContact O-CB 3.39Å; T45-L48 PolarHBondContact O-N 3.35Å; T45-L48 WeakPolarHBondContact OG1-CB 3.23Å; T45-L48 PolarHBondContact OG1-N 2.99Å; T45-L48 VanDerWaalsContact OG1-N 3.11Å; T45-K49 PolarHBondContact O-N 3.1Å
46P86.1Confident81.4Confident106 Ų10679.6 Ų79.669%0.68844%0.442SS*.Hα-helixtrans-53.7-37.8173-27.435.4000112.5K49 T50P46-K49 PolarHBondContact O-N 2.95Å; P46-T50 PolarHBondContact O-N 2.85Å; P46-T50 PolarHBondContact O-OG1 3.26Å
47L87.6Confident82Confident73 Ų7383.8 Ų83.838%0.38246%0.458SS..Hα-helixtrans-61.2-49174.3177.260000111.8L9 V33 T45 K49 T50 L51L9-L47 HydrophobicContact CB-CD1 4.24Å; L9-L47 HydrophobicContact CD2-CD1 3.83Å; V33-L47 HydrophobicContact CG1-CD2 4.15Å; V33-L47 HydrophobicContact CG2-CD2 4.27Å; V33-L47 HydrophobicContact CG2-CG 4.46Å; T45-L47 PolarHBondContact O-N 2.94Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.08Å; L47-T50 PolarHBondContact O-N 2.75Å; L47-L51 HydrophobicContact CD1-CD1 4.19Å; L47-L51 HydrophobicContact CD1-CG 4.28Å; L47-L51 HydrophobicContact CG-CD1 4.16Å; L47-L51 WeakPolarHBondContact O-CG 3.28Å; L47-L51 PolarHBondContact O-N 3.42Å
48L89.1Confident82.8Confident1 Ų178.3 Ų78.31%0.00543%0.434CS..Hα-helixtrans-59.5-44.7178.5-169.569.9000111V44 T45 T50 L51 M52 I58 L76V44-L48 HydrophobicContact CB-CD2 4.42Å; V44-L48 HydrophobicContact CG1-CB 4.2Å; V44-L48 HydrophobicContact CG1-CD2 4.13Å; V44-L48 HydrophobicContact CG1-CG 4.36Å; V44-L48 HydrophobicContact CG2-CD2 4.39Å; T45-L48 WeakPolarHBondContact O-CB 3.39Å; T45-L48 PolarHBondContact O-N 3.35Å; T45-L48 WeakPolarHBondContact OG1-CB 3.23Å; T45-L48 PolarHBondContact OG1-N 2.99Å; T45-L48 VanDerWaalsContact OG1-N 3.11Å; L48-T50 VanDerWaalsContact C-N 3.34Å; L48-T50 PolarHBondContact O-N 3.15Å; L48-L51 PolarHBondContact O-N 3.22Å; L48-M52 HydrophobicContact CG-SD 4.23Å; L48-M52 VanDerWaalsContact O-CG 3.27Å; L48-M52 WeakPolarHBondContact O-CG 3.08Å; L48-M52 PolarHBondContact O-N 3.42Å; L48-I58 HydrophobicContact CD2-CD1 4.41Å; L48-L76 HydrophobicContact CD1-CD1 3.48Å; L48-L76 VanDerWaalsContact CD1-CD1 3.48Å; L48-L76 HydrophobicContact CD1-CD2 3.59Å; L48-L76 HydrophobicContact CD1-CG 3.96Å
49K89.5Confident83.8Confident148 Ų14875.4 Ų75.464%0.64341%0.412SS*.Hα-helixtrans-60.6-42.7176.6-170.3176.7179.6179.30112V44 T45 P46 L47 M52 F53V44-K49 HydrophobicContact CG1-CB 3.98Å; T45-K49 PolarHBondContact O-N 3.1Å; P46-K49 PolarHBondContact O-N 2.95Å; L47-K49 VanDerWaalsContact C-N 3.31Å; L47-K49 PolarHBondContact O-N 3.08Å; K49-M52 PolarHBondContact O-N 3.45Å; K49-F53 WeakPolarHBondContact O-CB 3.4Å; K49-F53 PolarHBondContact O-N 3.39Å
50T91.2Very high84.9Confident46 Ų4677.4 Ų77.428%0.28242%0.422SS..Hα-helixtrans-65.2-44.2178.3-61.10000111.7L9 P46 L47 L48 F53 I54L9-T50 HydrophobicContact CD2-CG2 3.87Å; P46-T50 PolarHBondContact O-N 2.85Å; P46-T50 PolarHBondContact O-OG1 3.26Å; L47-T50 PolarHBondContact O-N 2.75Å; L48-T50 VanDerWaalsContact C-N 3.34Å; L48-T50 PolarHBondContact O-N 3.15Å; T50-F53 PolarHBondContact O-N 3.11Å; T50-I54 HydrophobicContact CG2-CD1 3.93Å; T50-I54 WeakPolarHBondContact O-CD1 3.49Å; T50-I54 VanDerWaalsContact O-CG1 3.29Å; T50-I54 WeakPolarHBondContact O-CG1 3.42Å; T50-I54 PolarHBondContact O-N 2.88Å; T50-I54 VanDerWaalsContact O-N 3.15Å
51L93.4Very high86.1Confident4 Ų480.2 Ų80.22%0.02144%0.435CS..Hα-helixtrans-60.9-46.5176.3-68.8168.9000110.7L9 L14 V31 V33 L47 L48 F53 I54 G55 F56 L76L9-L51 HydrophobicContact CD2-CD2 3.96Å; L9-L51 HydrophobicContact CD2-CG 4.4Å; L14-L51 HydrophobicContact CD2-CD2 3.84Å; V31-L51 HydrophobicContact CB-CD1 4.49Å; V31-L51 HydrophobicContact CG1-CD1 3.79Å; V33-L51 HydrophobicContact CG2-CD1 3.66Å; L47-L51 HydrophobicContact CD1-CD1 4.19Å; L47-L51 HydrophobicContact CD1-CG 4.28Å; L47-L51 HydrophobicContact CG-CD1 4.16Å; L47-L51 WeakPolarHBondContact O-CG 3.28Å; L47-L51 PolarHBondContact O-N 3.42Å; L48-L51 PolarHBondContact O-N 3.22Å; L51-F53 VanDerWaalsContact C-N 3.27Å; L51-F53 PolarHBondContact O-N 2.82Å; L51-I54 PolarHBondContact O-N 2.8Å; L51-G55 PolarHBondContact O-N 2.89Å; L51-F56 HydrophobicContact CB-CB 4.04Å; L51-F56 HydrophobicContact CB-CD2 4.14Å; L51-F56 HydrophobicContact CB-CG 4.2Å; L51-F56 HydrophobicContact CD2-CD2 4.02Å; L51-F56 HydrophobicContact CD2-CE2 4.06Å; L51-F56 HydrophobicContact CD2-CG 4.49Å; L51-F56 WeakPolarHBondContact O-CB 3.5Å; L51-F56 WeakPolarHBondContact O-CD2 3.3Å; L51-F56 PolarHBondContact O-N 3.06Å; L51-F56 VanDerWaalsContact O-N 3.08Å; L51-L76 HydrophobicContact CB-CD2 4.13Å; L51-L76 HydrophobicContact CD1-CD1 4.34Å
52M91.8Very high87.4Confident91 Ų9177.8 Ų77.845%0.44842%0.417SS..Hα-helixtrans-60.5-36.9176.7-67.8176.57500112.8L48 K49 I54 G55 F56 L76L48-M52 HydrophobicContact CG-SD 4.23Å; L48-M52 VanDerWaalsContact O-CG 3.27Å; L48-M52 WeakPolarHBondContact O-CG 3.08Å; L48-M52 PolarHBondContact O-N 3.42Å; K49-M52 PolarHBondContact O-N 3.45Å; M52-I54 PolarHBondContact O-N 3.07Å; M52-G55 PolarHBondContact O-N 3.05Å; M52-F56 VanDerWaalsContact CA-O 3.29Å; M52-F56 WeakPolarHBondContact CA-O 3.38Å; M52-L76 HydrophobicContact CG-CD2 4.19Å
53F91.4Very high88.6Confident153 Ų15369.9 Ų69.967%0.67138%0.384SS*.Hα-helixtrans-68.9-19.7175.2-173-108.9000113.9K11 K49 T50 L51K11-F53 HydrophobicContact CD-CD1 4.4Å; K49-F53 WeakPolarHBondContact O-CB 3.4Å; K49-F53 PolarHBondContact O-N 3.39Å; T50-F53 PolarHBondContact O-N 3.11Å; L51-F53 VanDerWaalsContact C-N 3.27Å; L51-F53 PolarHBondContact O-N 2.82Å
54I91Very high89.5Confident30 Ų3072.1 Ų72.115%0.15440%0.401CS..Hα-helixtrans-88.2-10.6177.2-66.3164.4000111.3K11 L14 V15 L18 T50 L51 M52 F56K11-I54 HydrophobicContact CB-CD1 4.33Å; K11-I54 HydrophobicContact CD-CD1 4.48Å; K11-I54 HydrophobicContact CD-CG1 4.12Å; K11-I54 HydrophobicContact CG-CD1 3.81Å; K11-I54 HydrophobicContact CG-CG1 3.9Å; L14-I54 HydrophobicContact CD2-CD1 3.86Å; V15-I54 HydrophobicContact CG2-CG2 4.01Å; L18-I54 HydrophobicContact CD1-CG2 4.04Å; T50-I54 HydrophobicContact CG2-CD1 3.93Å; T50-I54 WeakPolarHBondContact O-CD1 3.49Å; T50-I54 VanDerWaalsContact O-CG1 3.29Å; T50-I54 WeakPolarHBondContact O-CG1 3.42Å; T50-I54 PolarHBondContact O-N 2.88Å; T50-I54 VanDerWaalsContact O-N 3.15Å; L51-I54 PolarHBondContact O-N 2.8Å; M52-I54 PolarHBondContact O-N 3.07Å; I54-F56 HydrophobicContact CB-CD2 4.44Å; I54-F56 HydrophobicContact CG2-CD2 4.41Å; I54-F56 HydrophobicContact CG2-CE2 4.28Å
55G92.8Very high90.1Very high39 Ų3974.5 Ų74.540%0.40241%0.406SS..THydrogen-bonded Turntrans110.612.6-178.600000114.2L51 M52 T78L51-G55 PolarHBondContact O-N 2.89Å; M52-G55 PolarHBondContact O-N 3.05Å; G55-T78 WeakPolarHBondContact O-CB 3.48Å; G55-T78 PolarHBondContact O-OG1 2.96Å
56F95.1Very high90.4Very high5 Ų574.1 Ų74.12%0.02240%0.403CS..  trans-81.8136.3171-73.7-96.9000111.9L14 L18 V31 L51 M52 I54 L76 F77 T78L14-F56 HydrophobicContact CD2-CE2 4.35Å; L18-F56 HydrophobicContact CD1-CE2 3.83Å; L18-F56 HydrophobicContact CD1-CZ 4.1Å; L18-F56 HydrophobicContact CD2-CZ 4.17Å; V31-F56 HydrophobicContact CB-CE1 4.3Å; V31-F56 HydrophobicContact CG2-CD1 4.24Å; V31-F56 HydrophobicContact CG2-CE1 3.53Å; V31-F56 HydrophobicContact CG2-CZ 3.92Å; L51-F56 HydrophobicContact CB-CB 4.04Å; L51-F56 HydrophobicContact CB-CD2 4.14Å; L51-F56 HydrophobicContact CB-CG 4.2Å; L51-F56 HydrophobicContact CD2-CD2 4.02Å; L51-F56 HydrophobicContact CD2-CE2 4.06Å; L51-F56 HydrophobicContact CD2-CG 4.49Å; L51-F56 WeakPolarHBondContact O-CB 3.5Å; L51-F56 WeakPolarHBondContact O-CD2 3.3Å; L51-F56 PolarHBondContact O-N 3.06Å; L51-F56 VanDerWaalsContact O-N 3.08Å; M52-F56 VanDerWaalsContact CA-O 3.29Å; M52-F56 WeakPolarHBondContact CA-O 3.38Å; I54-F56 HydrophobicContact CB-CD2 4.44Å; I54-F56 HydrophobicContact CG2-CD2 4.41Å; I54-F56 HydrophobicContact CG2-CE2 4.28Å; F56-L76 HydrophobicContact CB-CB 4.1Å; F56-L76 HydrophobicContact CB-CD2 3.86Å; F56-L76 HydrophobicContact CD1-CB 4.09Å; F56-F77 CarbonylContact C-O 3.45Å; F56-F77 VanDerWaalsContact CA-O 3.28Å; F56-F77 WeakPolarHBondContact CA-O 3.42Å; F56-T78 HydrophobicContact CD1-CG2 3.95Å; F56-T78 HydrophobicContact CD2-CG2 4.4Å; F56-T78 HydrophobicContact CE1-CG2 3.54Å; F56-T78 HydrophobicContact CE2-CG2 4.05Å; F56-T78 HydrophobicContact CG-CG2 4.36Å; F56-T78 HydrophobicContact CZ-CG2 3.6Å
57E93.6Very high90.7Very high123 Ų12373.5 Ų73.558%0.57539%0.392SS*.EExtended strand (participates in β ladder)trans-108.6149.8173.9-62.7-173.9-175.100110.7L59 L76 F77E57-L59 PolarHBondContact O-N 2.96Å; E57-L76 CarbonylContact O-C 3.53Å; E57-L76 WeakPolarHBondContact O-CA 3.34Å; E57-L76 WeakPolarHBondContact O-CB 3.17Å; E57-F77 HydrophobicContact CB-CD1 4.08Å; E57-F77 HydrophobicContact CB-CE1 3.67Å; E57-F77 HydrophobicContact CB-CZ 4.33Å; E57-F77 PolarHBondContact N-O 3.13Å; E57-F77 PolarHBondContact O-N 2.86Å
58I92.1Very high90.9Very high86 Ų8674.4 Ų74.444%0.44141%0.405SS..EExtended strand (participates in β ladder)trans-74.1126.8172.8-61.6174.7000107.8L48 A60 L76L48-I58 HydrophobicContact CD2-CD1 4.41Å; I58-A60 PolarHBondContact O-N 3.06Å; I58-A60 VanDerWaalsContact O-N 3.15Å; I58-L76 HydrophobicContact CG1-CD2 4.37Å; I58-L76 HydrophobicContact CG1-CG 4.41Å
59L91.1Very high91Very high27 Ų2777.5 Ų77.514%0.14142%0.421CS..  trans-66113.7173.7-79.6157.3000110.3Y30 E57 L62 L66 L75 F77Y30-L59 HydrophobicContact CD1-CD1 3.66Å; Y30-L59 HydrophobicContact CE1-CD1 3.86Å; Y30-L59 HydrophobicContact CE1-CD2 4.22Å; E57-L59 PolarHBondContact O-N 2.96Å; L59-L62 HydrophobicContact CB-CD2 3.76Å; L59-L62 HydrophobicContact CD1-CD2 4.17Å; L59-L66 HydrophobicContact CD1-CD1 4.45Å; L59-L75 HydrophobicContact CB-CB 4.38Å; L59-L75 HydrophobicContact CD1-CB 3.71Å; L59-L75 PolarHBondContact N-O 3.28Å; L59-F77 HydrophobicContact CD1-CB 4.13Å; L59-F77 HydrophobicContact CD2-CB 4.07Å; L59-F77 HydrophobicContact CD2-CD1 3.58Å; L59-F77 HydrophobicContact CD2-CE1 4.23Å; L59-F77 HydrophobicContact CD2-CG 3.9Å; L59-F77 HydrophobicContact CG-CB 3.96Å; L59-F77 HydrophobicContact CG-CD1 3.67Å; L59-F77 HydrophobicContact CG-CG 4.12Å
60A85.9Confident91.1Very high104 Ų10472.2 Ų72.286%0.8640%0.403SS*.SBendtrans-78.5-41.9171.900000111.7I58I58-A60 PolarHBondContact O-N 3.06Å; I58-A60 VanDerWaalsContact O-N 3.15Å
61E87.5Confident91Very high175 Ų17573.4 Ų73.482%0.81841%0.413SS*.SBendtrans-110128.4174.3-67-176.6-175.200109.2
62L87.7Confident90.8Very high54 Ų5478.1 Ų78.128%0.28344%0.438SS..  trans-98.2129.6-172.8-68.4175.4000110.9L59 I67 L75L59-L62 HydrophobicContact CB-CD2 3.76Å; L59-L62 HydrophobicContact CD1-CD2 4.17Å; L62-I67 HydrophobicContact CB-CG1 4.18Å; L62-L75 HydrophobicContact CD1-CD1 4.29Å; L62-L75 HydrophobicContact CD2-CB 3.91Å; L62-L75 HydrophobicContact CD2-CD1 3.36Å; L62-L75 HydrophobicContact CD2-CG 4.16Å; L62-L75 HydrophobicContact CG-CD1 4.42Å
63P89Confident90.8Very high23 Ų2378 Ų7815%0.14943%0.433CS..  trans-54.8138.8167.2-22.632.4000110.3Y30 E65 L66 I67Y30-P63 HydrophobicContact CE1-CG 4.49Å; P63-E65 HydrophobicContact CB-CG 4.23Å; P63-E65 WeakPolarHBondContact CB-OE1 3.37Å; P63-E65 WeakPolarHBondContact CB-OE2 3.26Å; P63-E65 PolarHBondContact O-N 2.74Å; P63-L66 HydrophobicContact CB-CG 4.34Å; P63-L66 HydrophobicContact CG-CD1 4.09Å; P63-L66 HydrophobicContact CG-CG 4.43Å; P63-L66 PolarHBondContact O-N 3.4Å; P63-I67 PolarHBondContact O-N 3.33Å
64P91.1Very high90.7Very high107 Ų10772.4 Ų72.470%0.69541%0.408SS*.G310 helixtrans-49.9-36.6-177.6-29.335.5000114.3L66 I67P64-L66 VanDerWaalsContact C-N 3.28Å; P64-L66 PolarHBondContact O-N 2.94Å; P64-I67 HydrophobicContact CB-CD1 4.49Å; P64-I67 PolarHBondContact O-N 3.01Å
65E90.1Very high90.9Very high132 Ų13271.4 Ų71.462%0.61740%0.403SS*.G310 helixtrans-68.4-21.9178.865.7-84.5-162.900114.1P63P63-E65 HydrophobicContact CB-CG 4.23Å; P63-E65 WeakPolarHBondContact CB-OE1 3.37Å; P63-E65 WeakPolarHBondContact CB-OE2 3.26Å; P63-E65 PolarHBondContact O-N 2.74Å
66L91.7Very high90.9Very high30 Ų3069.6 Ų69.616%0.15738%0.384CS..G310 helixtrans-101.5-7.1179.8-56.7-174.1000113.4Y30 L59 P63 P64 S68 L69 L75Y30-L66 HydrophobicContact CD1-CD1 3.83Å; Y30-L66 HydrophobicContact CD2-CD1 4.36Å; Y30-L66 HydrophobicContact CE1-CD1 4.16Å; Y30-L66 HydrophobicContact CG-CD1 3.92Å; L59-L66 HydrophobicContact CD1-CD1 4.45Å; P63-L66 HydrophobicContact CB-CG 4.34Å; P63-L66 HydrophobicContact CG-CD1 4.09Å; P63-L66 HydrophobicContact CG-CG 4.43Å; P63-L66 PolarHBondContact O-N 3.4Å; P64-L66 VanDerWaalsContact C-N 3.28Å; P64-L66 PolarHBondContact O-N 2.94Å; L66-S68 PolarHBondContact O-N 2.61Å; L66-S68 VanDerWaalsContact O-N 3.17Å; L66-L69 HydrophobicContact CD2-CD1 4.29Å; L66-L69 WeakPolarHBondContact O-CB 3.36Å; L66-L69 PolarHBondContact O-N 3.44Å; L66-L75 HydrophobicContact CB-CD1 3.79Å; L66-L75 WeakPolarHBondContact O-CD1 3.47Å
67I91.7Very high90.9Very high92 Ų9271.5 Ų71.547%0.47239%0.392SS..G310 helixtrans-55.5-37.9-177.4-68.6177.5000111.6L62 P63 P64 L69 S70L62-I67 HydrophobicContact CB-CG1 4.18Å; P63-I67 PolarHBondContact O-N 3.33Å; P64-I67 HydrophobicContact CB-CD1 4.49Å; P64-I67 PolarHBondContact O-N 3.01Å; I67-L69 PolarHBondContact O-N 2.86Å; I67-S70 VanDerWaalsContact O-CB 3.22Å; I67-S70 WeakPolarHBondContact O-CB 3.32Å; I67-S70 PolarHBondContact O-N 3.39Å; I67-S70 PolarHBondContact O-OG 3.17Å
68S92.2Very high91Very high92 Ų9266.3 Ų66.364%0.64337%0.369SS*.G310 helixtrans-61.2-26.2-179.9600000113.6L66 S71L66-S68 PolarHBondContact O-N 2.61Å; L66-S68 VanDerWaalsContact O-N 3.17Å; S68-S71 PolarHBondContact O-OG 3.22Å
69L92.3Very high91Very high66 Ų6665.1 Ų65.135%0.34636%0.363SS..G310 helixtrans-82.8-17.8177.5-59.4175.3000112.2L66 I67 S71 D72 Y73 L75L66-L69 HydrophobicContact CD2-CD1 4.29Å; L66-L69 WeakPolarHBondContact O-CB 3.36Å; L66-L69 PolarHBondContact O-N 3.44Å; I67-L69 PolarHBondContact O-N 2.86Å; L69-S71 PolarHBondContact O-N 3.07Å; L69-D72 PolarHBondContact O-N 3.35Å; L69-Y73 HydrophobicContact CB-CD2 4.25Å; L69-Y73 HydrophobicContact CD2-CD2 4.39Å; L69-Y73 HydrophobicContact CD2-CE2 4.48Å; L69-Y73 WeakPolarHBondContact O-CB 3.3Å; L69-Y73 WeakPolarHBondContact O-CD2 3.32Å; L69-Y73 PolarHBondContact O-N 2.82Å; L69-L75 HydrophobicContact CB-CD1 4.25Å; L69-L75 HydrophobicContact CB-CD2 4Å; L69-L75 HydrophobicContact CD1-CD2 4.23Å
70S89.8Confident91.1Very high38 Ų3864.6 Ų64.627%0.26636%0.361SS..THydrogen-bonded Turntrans-68.5-17.4-172.375.50000114.4K35 I67K35-S70 VanDerWaalsContact CE-O 3.32Å; K35-S70 WeakPolarHBondContact CE-O 3.24Å; K35-S70 PolarHBondContact NZ-O 3.2Å; I67-S70 VanDerWaalsContact O-CB 3.22Å; I67-S70 WeakPolarHBondContact O-CB 3.32Å; I67-S70 PolarHBondContact O-N 3.39Å; I67-S70 PolarHBondContact O-OG 3.17Å
71S89Confident91Very high71 Ų7164.6 Ų64.650%0.49734%0.343SS..THydrogen-bonded Turntrans-62.3-52.2173.345.90000110.4K35 S68 L69K35-S71 WeakPolarHBondContact CD-O 3.47Å; K35-S71 PolarHBondContact NZ-O 2.96Å; S68-S71 PolarHBondContact O-OG 3.22Å; L69-S71 PolarHBondContact O-N 3.07Å
72D90.1Very high89.7Confident102 Ų10266.4 Ų66.455%0.54536%0.358SS..THydrogen-bonded Turntrans-104.4-17.9-166.2-58.2-63.6000113.2K35 L69K35-D72 PolarHBondContact N-O 3.23Å; L69-D72 PolarHBondContact O-N 3.35Å
73Y91.3Very high89.8Confident89 Ų8967 Ų6735%0.34936%0.362SS..EExtended strand (participates in β ladder)trans-123.2148.9-174.6-57.4-93.4000112.1A32 V33 P34 K35 L69A32-Y73 HydrophobicContact CB-CD1 3.81Å; A32-Y73 HydrophobicContact CB-CG 3.9Å; V33-Y73 CarbonylContact O-C 3.51Å; V33-Y73 WeakPolarHBondContact O-CA 2.94Å; P34-Y73 HydrophobicContact CB-CD1 4.4Å; P34-Y73 HydrophobicContact CB-CE1 4.38Å; P34-Y73 HydrophobicContact CG-CD1 4.07Å; P34-Y73 HydrophobicContact CG-CE1 3.82Å; K35-Y73 VanDerWaalsContact CE-O 3.3Å; K35-Y73 WeakPolarHBondContact CE-O 3.42Å; L69-Y73 HydrophobicContact CB-CD2 4.25Å; L69-Y73 HydrophobicContact CD2-CD2 4.39Å; L69-Y73 HydrophobicContact CD2-CE2 4.48Å; L69-Y73 WeakPolarHBondContact O-CB 3.3Å; L69-Y73 WeakPolarHBondContact O-CD2 3.32Å; L69-Y73 PolarHBondContact O-N 2.82Å
74R90.3Very high89.9Confident36 Ų3669.3 Ų69.314%0.13637%0.373CS..EExtended strand (participates in β ladder)trans-88.9123.3158.6-57.2-169.5-164165.711107V33 K35 P41 V43V33-R74 PolarHBondContact N-O 3.13Å; V33-R74 PolarHBondContact O-N 2.91Å; K35-R74 HydrophobicContact CG-CG 3.78Å; P41-R74 VanDerWaalsContact O-CZ 3.26Å; P41-R74 PolarHBondContact O-NH2 2.98Å; V43-R74 VanDerWaalsContact O-CZ 3.26Å; V43-R74 PolarHBondContact O-NH1 3.16Å; V43-R74 PolarHBondContact O-NH2 3.46Å
75L93.7Very high89.8Confident9 Ų967.2 Ų67.25%0.04736%0.355CS..EExtended strand (participates in β ladder)trans-94.6132.4-178.8-60.7174.7000108.9V31 A32 L59 L62 L66 L69V31-L75 WeakPolarHBondContact O-CA 3.29Å; A32-L75 HydrophobicContact CB-CD2 3.55Å; L59-L75 HydrophobicContact CB-CB 4.38Å; L59-L75 HydrophobicContact CD1-CB 3.71Å; L59-L75 PolarHBondContact N-O 3.28Å; L62-L75 HydrophobicContact CD1-CD1 4.29Å; L62-L75 HydrophobicContact CD2-CB 3.91Å; L62-L75 HydrophobicContact CD2-CD1 3.36Å; L62-L75 HydrophobicContact CD2-CG 4.16Å; L62-L75 HydrophobicContact CG-CD1 4.42Å; L66-L75 HydrophobicContact CB-CD1 3.79Å; L66-L75 WeakPolarHBondContact O-CD1 3.47Å; L69-L75 HydrophobicContact CB-CD1 4.25Å; L69-L75 HydrophobicContact CB-CD2 4Å; L69-L75 HydrophobicContact CD1-CD2 4.23Å
76L94.6Very high89.8Confident0 Ų063.4 Ų63.40%034%0.339CS..EExtended strand (participates in β ladder)trans-118153.3173.2-63.395.2000109.5Y30 V31 V33 L48 L51 M52 F56 E57 I58Y30-L76 CarbonylContact C-O 3.56Å; Y30-L76 VanDerWaalsContact CA-O 3.3Å; Y30-L76 WeakPolarHBondContact CA-O 3.47Å; V31-L76 PolarHBondContact N-O 3.04Å; V31-L76 PolarHBondContact O-N 3.05Å; V33-L76 HydrophobicContact CB-CD1 4.28Å; V33-L76 HydrophobicContact CG2-CD1 3.63Å; L48-L76 HydrophobicContact CD1-CD1 3.48Å; L48-L76 VanDerWaalsContact CD1-CD1 3.48Å; L48-L76 HydrophobicContact CD1-CD2 3.59Å; L48-L76 HydrophobicContact CD1-CG 3.96Å; L51-L76 HydrophobicContact CB-CD2 4.13Å; L51-L76 HydrophobicContact CD1-CD1 4.34Å; M52-L76 HydrophobicContact CG-CD2 4.19Å; F56-L76 HydrophobicContact CB-CB 4.1Å; F56-L76 HydrophobicContact CB-CD2 3.86Å; F56-L76 HydrophobicContact CD1-CB 4.09Å; E57-L76 CarbonylContact O-C 3.53Å; E57-L76 WeakPolarHBondContact O-CA 3.34Å; E57-L76 WeakPolarHBondContact O-CB 3.17Å; I58-L76 HydrophobicContact CG1-CD2 4.37Å; I58-L76 HydrophobicContact CG1-CG 4.41Å
77F94.7Very high89.7Confident45 Ų4565.5 Ų65.520%0.19735%0.351CS..EExtended strand (participates in β ladder)trans-135.3158.2171.985.4-72.6000110.5A29 Y30 F56 E57 L59A29-F77 CarbonylContact O-C 3.48Å; A29-F77 VanDerWaalsContact O-CA 3.23Å; A29-F77 WeakPolarHBondContact O-CA 3.49Å; Y30-F77 HydrophobicContact CD1-CB 3.51Å; Y30-F77 HydrophobicContact CE1-CB 3.57Å; Y30-F77 HydrophobicContact CE1-CG 4.46Å; F56-F77 CarbonylContact C-O 3.45Å; F56-F77 VanDerWaalsContact CA-O 3.28Å; F56-F77 WeakPolarHBondContact CA-O 3.42Å; E57-F77 HydrophobicContact CB-CD1 4.08Å; E57-F77 HydrophobicContact CB-CE1 3.67Å; E57-F77 HydrophobicContact CB-CZ 4.33Å; E57-F77 PolarHBondContact N-O 3.13Å; E57-F77 PolarHBondContact O-N 2.86Å; L59-F77 HydrophobicContact CD1-CB 4.13Å; L59-F77 HydrophobicContact CD2-CB 4.07Å; L59-F77 HydrophobicContact CD2-CD1 3.58Å; L59-F77 HydrophobicContact CD2-CE1 4.23Å; L59-F77 HydrophobicContact CD2-CG 3.9Å; L59-F77 HydrophobicContact CG-CB 3.96Å; L59-F77 HydrophobicContact CG-CD1 3.67Å; L59-F77 HydrophobicContact CG-CG 4.12Å
78T94.8Very high89.6Confident14 Ų1463.7 Ų63.79%0.08634%0.343CS..EExtended strand (participates in β ladder)trans-137.1141.9165.7-170.30000107.3K28 A29 G55 F56 L80K28-T78 WeakPolarHBondContact CA-O 3.22Å; A29-T78 HydrophobicContact CB-CG2 4.01Å; A29-T78 PolarHBondContact N-O 3.2Å; A29-T78 VanDerWaalsContact N-O 3.1Å; A29-T78 PolarHBondContact O-N 3.38Å; G55-T78 WeakPolarHBondContact O-CB 3.48Å; G55-T78 PolarHBondContact O-OG1 2.96Å; F56-T78 HydrophobicContact CD1-CG2 3.95Å; F56-T78 HydrophobicContact CD2-CG2 4.4Å; F56-T78 HydrophobicContact CE1-CG2 3.54Å; F56-T78 HydrophobicContact CE2-CG2 4.05Å; F56-T78 HydrophobicContact CG-CG2 4.36Å; F56-T78 HydrophobicContact CZ-CG2 3.6Å; T78-L80 HydrophobicContact CG2-CD2 3.83Å; T78-L80 HydrophobicContact CG2-CG 4.46Å
79D93.2Very high89.4Confident61 Ų6161.7 Ų61.733%0.32632%0.321SS..EExtended strand (participates in β ladder)trans-87.6130.3167.6-153.1-47.7000107.5K28 H81K28-D79 WeakPolarHBondContact CE-OD2 3.47Å; D79-H81 PolarHBondContact OD1-N 3.2Å
80L92.1Very high89.1Confident17 Ų1761.4 Ų61.49%0.08932%0.319CS..SBendtrans-96.1-5.2-178.7-62-179000111.8L18 L21 E22 V26 N27 A29 T78L18-L80 HydrophobicContact CB-CD2 3.93Å; L18-L80 HydrophobicContact CD2-CD2 4.17Å; L18-L80 HydrophobicContact CG-CD2 4.43Å; L21-L80 HydrophobicContact CB-CD1 4.15Å; E22-L80 HydrophobicContact CB-CB 4.15Å; E22-L80 HydrophobicContact CG-CB 4.18Å; E22-L80 VanDerWaalsContact CG-O 3.23Å; E22-L80 WeakPolarHBondContact CG-O 3.36Å; E22-L80 VanDerWaalsContact OE1-O 3.06Å; V26-L80 HydrophobicContact CG1-CD1 4.37Å; N27-L80 PolarHBondContact O-N 3Å; A29-L80 HydrophobicContact CB-CD1 4.38Å; T78-L80 HydrophobicContact CG2-CD2 3.83Å; T78-L80 HydrophobicContact CG2-CG 4.46Å
81H84Confident89.1Confident104 Ų10463.3 Ų63.348%0.48132%0.324SS..  trans-94.33.2-176.7-87.3-36.6000115.9N27 D79N27-H81 VanDerWaalsContact CB-CD2 3.42Å; N27-H81 WeakPolarHBondContact CB-CD2 3.48Å; N27-H81 PolarHBondContact ND2-CD2 2.65Å; N27-H81 PolarHBondContact ND2-NE2 3Å; N27-H81 PolarHBondContact OD1-NE2 3.18Å; D79-H81 PolarHBondContact OD1-N 3.2Å
82D61.4Low89.1Confident212 Ų21262.6 Ų62.6100%1.13431%0.308SS*.  trans-86.20178.9-99.3-13.2000113.5

Retrieved 82 of 82 residues in 114.5 ms (Link to these results)