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Signal recognition particle 9 kDa protein

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER). SRP9 together with SRP14 and the Alu portion of the SRP RNA, constitutes the elongation arrest domain of SRP. The complex of SRP9 and SRP14 is required for SRP RNA binding.

AlphaFold DB , UniProt , Accession A0A5K4FD68, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 78 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
1M82.4Confident95Very high140 Ų14076.5 Ų76.569%0.6940%0.395SS*.  0115.40176.5-174.5-71.100107.6V48 K50M1-V48 CarbonylContact C-O 3.51Å; M1-V48 VanDerWaalsContact CA-O 3.25Å; M1-V48 WeakPolarHBondContact CA-O 3.16Å; M1-V48 HydrophobicContact CB-CB 4.03Å; M1-V48 HydrophobicContact CB-CG1 4.22Å; M1-V48 HydrophobicContact CE-CG1 3.74Å; M1-V48 HydrophobicContact CG-CB 4.13Å; M1-V48 HydrophobicContact CG-CG1 3.82Å; M1-K50 HydrophobicContact CG-CB 4.26Å; M1-K50 HydrophobicContact SD-CB 4.37Å; M1-K50 HydrophobicContact SD-CD 3.68Å
2T92.6Very high95.2Very high78 Ų7883 Ų8348%0.47942%0.418SS..EExtended strand (participates in β ladder)trans-94.6119.3-179.2-50.90000108.6F4 V48 K50T2-F4 HydrophobicContact CG2-CD2 4.31Å; T2-F4 HydrophobicContact CG2-CE2 3.78Å; T2-F4 HydrophobicContact CG2-CZ 4.04Å; T2-V48 PolarHBondContact N-O 2.87Å; T2-K50 PolarHBondContact O-N 2.96Å
3N94.9Very high95.3Very high94 Ų9478.8 Ų78.850%0.50340%0.403SS..EExtended strand (participates in β ladder)trans-91.8122.1173.3-67.6-54.5000108.6K50N3-K50 WeakPolarHBondContact CA-O 3.35Å; N3-K50 VanDerWaalsContact OD1-CD 3.28Å; N3-K50 WeakPolarHBondContact OD1-CD 3.4Å
4F97.3Very high95.5Very high33 Ų3373.1 Ų73.115%0.14538%0.375CS..EExtended strand (participates in β ladder)trans-93.3136.2176.5-71-96.5000109.9T2 E9 F10 A13 L49 K50 Y51T2-F4 HydrophobicContact CG2-CD2 4.31Å; T2-F4 HydrophobicContact CG2-CE2 3.78Å; T2-F4 HydrophobicContact CG2-CZ 4.04Å; F4-E9 HydrophobicContact CD1-CB 3.67Å; F4-E9 HydrophobicContact CE1-CB 4.06Å; F4-F10 HydrophobicContact CB-CB 3.75Å; F4-F10 HydrophobicContact CB-CD2 4.4Å; F4-F10 HydrophobicContact CD1-CB 4.34Å; F4-F10 HydrophobicContact CD2-CB 4.34Å; F4-F10 AromaticContact CD2-CD2 3.87Å; F4-F10 HydrophobicContact CD2-CD2 3.87Å; F4-F10 HydrophobicContact CG-CB 3.89Å; F4-F10 HydrophobicContact CG-CD2 4.27Å; F4-A13 HydrophobicContact CE1-CB 4.02Å; F4-A13 HydrophobicContact CE2-CB 4.44Å; F4-A13 HydrophobicContact CZ-CB 3.63Å; F4-L49 HydrophobicContact CE2-CB 3.94Å; F4-L49 HydrophobicContact CE2-CD2 3.63Å; F4-L49 HydrophobicContact CE2-CG 4.28Å; F4-L49 HydrophobicContact CZ-CD2 3.97Å; F4-K50 PolarHBondContact N-O 3.17Å; F4-Y51 WeakPolarHBondContact O-CD2 3.22Å
5N95.1Very high95.5Very high157 Ų15773.6 Ų73.684%0.8437%0.374SS*.SBendtrans-93.7-23.2173.3-63.3-33.6000111.7
6S96.2Very high95.5Very high35 Ų3573.9 Ų73.925%0.24538%0.381CS..  trans-100.9132.2174.1174.60000111.1E8 F10S6-E8 VanDerWaalsContact C-N 3.28Å; S6-E8 PolarHBondContact O-N 3.49Å; S6-E8 PolarHBondContact OG-N 2.75Å; S6-F10 PolarHBondContact O-N 2.76Å; S6-F10 VanDerWaalsContact O-N 3.14Å
7W96.6Very high95.6Very high29 Ų2970.1 Ų70.111%0.1136%0.361CS..Hα-helixtrans-61-39.3171.3168.6-99.2000111.7F10 A11 Y51 K61 I62 L65W7-F10 AromaticContact CE3-CD1 3.92Å; W7-F10 HydrophobicContact CE3-CD1 3.92Å; W7-F10 HydrophobicContact CH2-CD1 4.24Å; W7-F10 HydrophobicContact CH2-CE1 4.34Å; W7-F10 AromaticContact CZ3-CD1 3.57Å; W7-F10 HydrophobicContact CZ3-CD1 3.57Å; W7-F10 AromaticContact CZ3-CE1 3.82Å; W7-F10 HydrophobicContact CZ3-CE1 3.82Å; W7-F10 PolarHBondContact O-N 3.12Å; W7-A11 HydrophobicContact CZ2-CB 4.11Å; W7-A11 WeakPolarHBondContact O-CB 3.26Å; W7-A11 PolarHBondContact O-N 2.62Å; W7-Y51 HydrophobicContact CB-CE1 4.38Å; W7-Y51 HydrophobicContact CB-CE2 4.22Å; W7-Y51 HydrophobicContact CD2-CE1 4.5Å; W7-Y51 AromaticContact CE3-CD1 3.61Å; W7-Y51 HydrophobicContact CE3-CD1 3.61Å; W7-Y51 AromaticContact CE3-CE1 3.61Å; W7-Y51 HydrophobicContact CE3-CE1 3.61Å; W7-Y51 HydrophobicContact CE3-CG 4.23Å; W7-Y51 HydrophobicContact CZ3-CD1 4.04Å; W7-Y51 HydrophobicContact CZ3-CE1 4.37Å; W7-K61 HydrophobicContact CD2-CB 4.18Å; W7-K61 HydrophobicContact CG-CB 4.45Å; W7-K61 HydrophobicContact CG-CD 3.98Å; W7-K61 VanDerWaalsContact CZ2-C 3.46Å; W7-K61 HydrophobicContact CZ2-CB 3.88Å; W7-K61 VanDerWaalsContact CZ2-O 3.28Å; W7-K61 WeakPolarHBondContact CZ2-O 3.31Å; W7-I62 HydrophobicContact CE3-CG1 4.03Å; W7-I62 HydrophobicContact CH2-CB 4.12Å; W7-I62 HydrophobicContact CH2-CG1 3.57Å; W7-I62 HydrophobicContact CZ2-CG1 4.41Å; W7-I62 HydrophobicContact CZ3-CB 4.36Å; W7-I62 HydrophobicContact CZ3-CD1 4.35Å; W7-I62 HydrophobicContact CZ3-CG1 3.35Å; W7-L65 HydrophobicContact CH2-CB 3.9Å; W7-L65 HydrophobicContact CH2-CD2 3.56Å; W7-L65 HydrophobicContact CH2-CG 4.39Å; W7-L65 HydrophobicContact CZ2-CB 3.88Å; W7-L65 HydrophobicContact CZ2-CD2 4.04Å; W7-L65 HydrophobicContact CZ3-CD2 4.43Å
8E96.7Very high95.6Very high145 Ų14566.8 Ų66.868%0.67834%0.343SS*.Hα-helixtrans-67.5-42.5-174.9-70.1154.1-173.100111.3S6 K12S6-E8 VanDerWaalsContact C-N 3.28Å; S6-E8 PolarHBondContact O-N 3.49Å; S6-E8 PolarHBondContact OG-N 2.75Å; E8-K12 WeakPolarHBondContact O-CB 3.47Å; E8-K12 PolarHBondContact O-N 3.48Å
9E97.4Very high95.5Very high119 Ų11968.7 Ų68.756%0.55635%0.354SS*.Hα-helixtrans-65.3-42.1174.2-65.3179.5161.400111.5F4 A13F4-E9 HydrophobicContact CD1-CB 3.67Å; F4-E9 HydrophobicContact CE1-CB 4.06Å; E9-A13 WeakPolarHBondContact O-CB 3.47Å; E9-A13 PolarHBondContact O-N 3.07Å
10F98.1Very high95.5Very high0 Ų072.4 Ų72.40%037%0.369CS..Hα-helixtrans-60.8-50.3176.2173.4-98.9000111.7F4 S6 W7 K12 A13 A14 V40 L42 L49 Y51 L65F4-F10 HydrophobicContact CB-CB 3.75Å; F4-F10 HydrophobicContact CB-CD2 4.4Å; F4-F10 HydrophobicContact CD1-CB 4.34Å; F4-F10 HydrophobicContact CD2-CB 4.34Å; F4-F10 AromaticContact CD2-CD2 3.87Å; F4-F10 HydrophobicContact CD2-CD2 3.87Å; F4-F10 HydrophobicContact CG-CB 3.89Å; F4-F10 HydrophobicContact CG-CD2 4.27Å; S6-F10 PolarHBondContact O-N 2.76Å; S6-F10 VanDerWaalsContact O-N 3.14Å; W7-F10 AromaticContact CE3-CD1 3.92Å; W7-F10 HydrophobicContact CE3-CD1 3.92Å; W7-F10 HydrophobicContact CH2-CD1 4.24Å; W7-F10 HydrophobicContact CH2-CE1 4.34Å; W7-F10 AromaticContact CZ3-CD1 3.57Å; W7-F10 HydrophobicContact CZ3-CD1 3.57Å; W7-F10 AromaticContact CZ3-CE1 3.82Å; W7-F10 HydrophobicContact CZ3-CE1 3.82Å; W7-F10 PolarHBondContact O-N 3.12Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 2.71Å; F10-A13 PolarHBondContact O-N 2.69Å; F10-A14 HydrophobicContact CE1-CB 4.41Å; F10-A14 HydrophobicContact CZ-CB 4.47Å; F10-A14 WeakPolarHBondContact O-CB 3.37Å; F10-A14 PolarHBondContact O-N 3.31Å; F10-V40 HydrophobicContact CE1-CB 4.33Å; F10-V40 HydrophobicContact CE1-CG1 3.9Å; F10-V40 HydrophobicContact CZ-CB 4.21Å; F10-V40 HydrophobicContact CZ-CG1 3.8Å; F10-L42 HydrophobicContact CZ-CB 4.41Å; F10-L49 HydrophobicContact CD2-CB 4.29Å; F10-L49 HydrophobicContact CE2-CB 3.95Å; F10-Y51 HydrophobicContact CB-CD2 4.37Å; F10-Y51 HydrophobicContact CB-CG 4.39Å; F10-Y51 HydrophobicContact CD1-CG 4.4Å; F10-Y51 HydrophobicContact CG-CG 4.23Å; F10-L65 HydrophobicContact CD1-CD2 4.48Å; F10-L65 HydrophobicContact CE1-CD2 4.02Å
11A97.4Very high95.5Very high12 Ų1271.1 Ų71.110%0.09936%0.364CS..Hα-helixtrans-62.1-44.2-177.300000111W7 A14 E15 L65W7-A11 HydrophobicContact CZ2-CB 4.11Å; W7-A11 WeakPolarHBondContact O-CB 3.26Å; W7-A11 PolarHBondContact O-N 2.62Å; A11-A14 PolarHBondContact O-N 3.45Å; A11-E15 WeakPolarHBondContact O-CG 3.29Å; A11-E15 PolarHBondContact O-N 3.37Å; A11-L65 HydrophobicContact CB-CD2 4.38Å
12K97.1Very high96Very high154 Ų15466.8 Ų66.867%0.6735%0.346SS*.Hα-helixtrans-61.6-47.4176.2-173.3176.9-179.71790112E8 F10 A14 E15 V16E8-K12 WeakPolarHBondContact O-CB 3.47Å; E8-K12 PolarHBondContact O-N 3.48Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 2.71Å; K12-A14 VanDerWaalsContact C-N 3.31Å; K12-A14 PolarHBondContact O-N 3.45Å; K12-E15 PolarHBondContact O-N 3.15Å; K12-V16 WeakPolarHBondContact O-CG2 3.24Å; K12-V16 PolarHBondContact O-N 3.47Å; K12-V16 VanDerWaalsContact O-N 3.09Å
13A97.5Very high96Very high28 Ų2868.1 Ų68.123%0.23136%0.358CS..Hα-helixtrans-65.1-36.217800000112.2F4 E9 F10 L17 L49F4-A13 HydrophobicContact CE1-CB 4.02Å; F4-A13 HydrophobicContact CE2-CB 4.44Å; F4-A13 HydrophobicContact CZ-CB 3.63Å; E9-A13 WeakPolarHBondContact O-CB 3.47Å; E9-A13 PolarHBondContact O-N 3.07Å; F10-A13 PolarHBondContact O-N 2.69Å; A13-L17 WeakPolarHBondContact O-CB 3.25Å; A13-L17 PolarHBondContact O-N 3.26Å; A13-L49 VanDerWaalsContact C-CD1 3.43Å; A13-L49 HydrophobicContact CB-CD1 3.82Å; A13-L49 HydrophobicContact CB-CD2 4.45Å; A13-L49 WeakPolarHBondContact O-CD1 3.36Å
14A97.3Very high96.1Very high0 Ų069.1 Ų69.10%036%0.358CS..Hα-helixtrans-65.1-44177.100000112.3F10 A11 K12 Y18 L42 L49 L65F10-A14 HydrophobicContact CE1-CB 4.41Å; F10-A14 HydrophobicContact CZ-CB 4.47Å; F10-A14 WeakPolarHBondContact O-CB 3.37Å; F10-A14 PolarHBondContact O-N 3.31Å; A11-A14 PolarHBondContact O-N 3.45Å; K12-A14 VanDerWaalsContact C-N 3.31Å; K12-A14 PolarHBondContact O-N 3.45Å; A14-Y18 VanDerWaalsContact O-CB 3.29Å; A14-Y18 WeakPolarHBondContact O-CB 3.35Å; A14-Y18 PolarHBondContact O-N 3.47Å; A14-L42 HydrophobicContact CB-CB 4.21Å; A14-L42 HydrophobicContact CB-CG 3.9Å; A14-L49 HydrophobicContact CB-CD1 4.44Å; A14-L65 HydrophobicContact CB-CD2 4.35Å
15E95.8Very high96.1Very high80 Ų8068.2 Ų68.237%0.37436%0.356SS..Hα-helixtrans-64.3-45.8175.6-75.3176.4-155.600111.6A11 K12 L17 Y18 L19 L65 L68A11-E15 WeakPolarHBondContact O-CG 3.29Å; A11-E15 PolarHBondContact O-N 3.37Å; K12-E15 PolarHBondContact O-N 3.15Å; E15-L17 PolarHBondContact O-N 3.09Å; E15-Y18 PolarHBondContact O-N 3.44Å; E15-L19 WeakPolarHBondContact O-CG 3.28Å; E15-L19 PolarHBondContact O-N 3.05Å; E15-L65 HydrophobicContact CG-CD1 4.02Å; E15-L68 HydrophobicContact CG-CD2 4.41Å; E15-L68 WeakPolarHBondContact OE1-CD2 3.33Å
16V96.3Very high96.2Very high78 Ų7866.4 Ų66.447%0.47334%0.337SS..Hα-helixtrans-59-50.7176.9171.60000110.8K12 Y18 L19 E20K12-V16 WeakPolarHBondContact O-CG2 3.24Å; K12-V16 PolarHBondContact O-N 3.47Å; K12-V16 VanDerWaalsContact O-N 3.09Å; V16-Y18 VanDerWaalsContact C-N 3.28Å; V16-Y18 PolarHBondContact O-N 3.25Å; V16-L19 PolarHBondContact O-N 2.96Å; V16-E20 PolarHBondContact O-N 3.22Å
17L96.7Very high96.2Very high10 Ų1066.7 Ų66.75%0.05234%0.335CS..Hα-helixtrans-61.6-38.3179.8-174.661.8000111.7A13 E15 E20 C25 L42 D44 T47 L49A13-L17 WeakPolarHBondContact O-CB 3.25Å; A13-L17 PolarHBondContact O-N 3.26Å; E15-L17 PolarHBondContact O-N 3.09Å; L17-E20 PolarHBondContact O-N 2.8Å; L17-C25 PolarHBondContact O-SG 3.3Å; L17-L42 HydrophobicContact CB-CD2 4.04Å; L17-L42 HydrophobicContact CD2-CD2 3.75Å; L17-L42 HydrophobicContact CG-CD2 4.03Å; L17-D44 HydrophobicContact CD1-CB 4.46Å; L17-T47 HydrophobicContact CD1-CG2 4.4Å; L17-T47 HydrophobicContact CD2-CG2 3.86Å; L17-L49 HydrophobicContact CB-CD1 4.1Å; L17-L49 HydrophobicContact CD2-CD1 3.83Å; L17-L49 HydrophobicContact CD2-CG 3.96Å
18Y96.2Very high96.2Very high10 Ų1067.8 Ų67.84%0.03935%0.347CS..Hα-helixtrans-64.4-41.1177175.5-97.2000112.6A14 E15 V16 E20 D21 P22 C25 L69 H72 M73A14-Y18 VanDerWaalsContact O-CB 3.29Å; A14-Y18 WeakPolarHBondContact O-CB 3.35Å; A14-Y18 PolarHBondContact O-N 3.47Å; E15-Y18 PolarHBondContact O-N 3.44Å; V16-Y18 VanDerWaalsContact C-N 3.28Å; V16-Y18 PolarHBondContact O-N 3.25Å; Y18-E20 VanDerWaalsContact C-N 3.3Å; Y18-E20 PolarHBondContact O-N 3.49Å; Y18-D21 CarbonylContact O-C 3.57Å; Y18-P22 HydrophobicContact CE1-CB 4.32Å; Y18-P22 HydrophobicContact CE1-CG 4.4Å; Y18-P22 HydrophobicContact CE2-CB 3.9Å; Y18-P22 WeakPolarHBondContact O-CA 3.49Å; Y18-P22 VanDerWaalsContact O-CD 3.28Å; Y18-P22 WeakPolarHBondContact O-CD 3.4Å; Y18-P22 VanDerWaalsContact O-CG 3.29Å; Y18-P22 WeakPolarHBondContact O-CG 3.11Å; Y18-P22 VanDerWaalsContact O-N 3.15Å; Y18-C25 HydrophobicContact CD2-CB 3.9Å; Y18-L69 HydrophobicContact CD1-CD2 3.7Å; Y18-L69 HydrophobicContact CD2-CD2 4.02Å; Y18-L69 HydrophobicContact CE1-CD2 4.25Å; Y18-L69 HydrophobicContact CG-CD2 3.58Å; Y18-H72 HydrophobicContact CE1-CB 3.61Å; Y18-M73 HydrophobicContact CD2-CE 4.11Å; Y18-M73 HydrophobicContact CE2-CE 3.48Å; Y18-M73 VanDerWaalsContact CE2-CE 3.48Å; Y18-M73 HydrophobicContact CE2-CG 3.86Å; Y18-M73 WeakPolarHBondContact OH-CA 3.41Å; Y18-M73 WeakPolarHBondContact OH-CG 3.41Å; Y18-M73 PolarHBondContact OH-N 2.84Å
19L93.9Very high96.2Very high104 Ų10465 Ų6555%0.54534%0.34SS..Hα-helixtrans-71.3-21.7-178.9-70.2171.2000113.6E15 V16E15-L19 WeakPolarHBondContact O-CG 3.28Å; E15-L19 PolarHBondContact O-N 3.05Å; V16-L19 PolarHBondContact O-N 2.96Å
20E95.3Very high96.3Very high141 Ų14165.6 Ų65.666%0.65934%0.341SS*.Hα-helixtrans-66.1-49.6177.1-73.6178.9175.300112.5V16 L17 Y18V16-E20 PolarHBondContact O-N 3.22Å; L17-E20 PolarHBondContact O-N 2.8Å; Y18-E20 VanDerWaalsContact C-N 3.3Å; Y18-E20 PolarHBondContact O-N 3.49Å
21D93.8Very high96.3Very high47 Ų4772.2 Ų72.225%0.25137%0.367SS..  trans-150.787.7175.2-168-18.7000110.1Y18 S23 K24 C25Y18-D21 CarbonylContact O-C 3.57Å; D21-S23 PolarHBondContact O-N 2.91Å; D21-S23 VanDerWaalsContact O-N 3.09Å; D21-S23 PolarHBondContact OD1-N 2.89Å; D21-S23 PolarHBondContact OD1-OG 2.96Å; D21-K24 HydrophobicContact CB-CB 4.44Å; D21-K24 PolarHBondContact O-N 3.27Å; D21-K24 VanDerWaalsContact O-N 3.15Å; D21-K24 WeakPolarHBondContact OD2-CD 3.29Å; D21-K24 WeakPolarHBondContact OD2-CE 3.33Å; D21-K24 WeakPolarHBondContact OD2-CG 3.36Å; D21-K24 IonicContact OD2-NZ 2.76Å; D21-K24 PolarHBondContact OD2-NZ 2.98Å; D21-C25 PolarHBondContact O-N 3.2Å; D21-C25 PolarHBondContact O-SG 3.46Å
22P94.5Very high96.3Very high48 Ų4877.7 Ų77.731%0.31239%0.385SS..THydrogen-bonded Turntrans-55.6-30.2-178.8-28.234.1000113.6Y18 K24 C25Y18-P22 HydrophobicContact CE1-CB 4.32Å; Y18-P22 HydrophobicContact CE1-CG 4.4Å; Y18-P22 HydrophobicContact CE2-CB 3.9Å; Y18-P22 WeakPolarHBondContact O-CA 3.49Å; Y18-P22 VanDerWaalsContact O-CD 3.28Å; Y18-P22 WeakPolarHBondContact O-CD 3.4Å; Y18-P22 VanDerWaalsContact O-CG 3.29Å; Y18-P22 WeakPolarHBondContact O-CG 3.11Å; Y18-P22 VanDerWaalsContact O-N 3.15Å; P22-K24 VanDerWaalsContact C-N 3.34Å; P22-K24 PolarHBondContact O-N 3.34Å; P22-C25 PolarHBondContact O-N 2.83Å
23S93Very high96.3Very high107 Ų10777 Ų7775%0.74838%0.384SS*.THydrogen-bonded Turntrans-73.4-25.2-175.375.70000113.6D21D21-S23 PolarHBondContact O-N 2.91Å; D21-S23 VanDerWaalsContact O-N 3.09Å; D21-S23 PolarHBondContact OD1-N 2.89Å; D21-S23 PolarHBondContact OD1-OG 2.96Å
24K96.1Very high96.3Very high114 Ų11481.3 Ų81.350%0.49641%0.407SS..THydrogen-bonded Turntrans-94.2-16.7177.7-68.6-175.4-170.6133.20113D21 P22 D44D21-K24 HydrophobicContact CB-CB 4.44Å; D21-K24 PolarHBondContact O-N 3.27Å; D21-K24 VanDerWaalsContact O-N 3.15Å; D21-K24 WeakPolarHBondContact OD2-CD 3.29Å; D21-K24 WeakPolarHBondContact OD2-CE 3.33Å; D21-K24 WeakPolarHBondContact OD2-CG 3.36Å; D21-K24 IonicContact OD2-NZ 2.76Å; D21-K24 PolarHBondContact OD2-NZ 2.98Å; P22-K24 VanDerWaalsContact C-N 3.34Å; P22-K24 PolarHBondContact O-N 3.34Å; K24-D44 HydrophobicContact CB-CB 4.3Å; K24-D44 WeakPolarHBondContact O-CA 3.39Å
25C96.6Very high96.3Very high14 Ų1485.2 Ų85.210%0.09543%0.428CS..  trans-78.5137.2-176.7-76.10000112.7L17 Y18 D21 P22 T43L17-C25 PolarHBondContact O-SG 3.3Å; Y18-C25 HydrophobicContact CD2-CB 3.9Å; D21-C25 PolarHBondContact O-N 3.2Å; D21-C25 PolarHBondContact O-SG 3.46Å; P22-C25 PolarHBondContact O-N 2.83Å; C25-T43 CarbonylContact C-O 3.55Å; C25-T43 WeakPolarHBondContact CA-O 3.41Å
26R97Very high96.4Very high119 Ų11990.6 Ų90.645%0.44945%0.445SS..EExtended strand (participates in β ladder)trans-133.1137.1168.166.5-178.7177.8-135.4-12.4111.2L42 T43 N45R26-L42 WeakPolarHBondContact O-CA 3.5Å; R26-T43 HydrophobicContact CG-CG2 3.75Å; R26-T43 PolarHBondContact N-O 3.21Å; R26-T43 PolarHBondContact O-N 3.44Å; R26-N45 PolarHBondContact NH1-OD1 3.41Å; R26-N45 VanDerWaalsContact NH1-OD1 3.12Å; R26-N45 PolarHBondContact NH2-OD1 2.91Å
27M96.9Very high96.4Very high41 Ų4191.5 Ų91.520%0.20244%0.442CS..EExtended strand (participates in β ladder)trans-100.9135.6169.3-167.3161.912600110.3T29 V40 K41 L42 T66 L69M27-T29 HydrophobicContact CE-CG2 4.24Å; M27-V40 HydrophobicContact CE-CG1 3.92Å; M27-V40 HydrophobicContact CG-CG1 4.38Å; M27-V40 HydrophobicContact SD-CG1 4.31Å; M27-K41 CarbonylContact C-O 3.47Å; M27-K41 VanDerWaalsContact CA-O 3.32Å; M27-K41 WeakPolarHBondContact CA-O 3.32Å; M27-L42 HydrophobicContact CB-CD1 3.76Å; M27-L42 HydrophobicContact CG-CD1 4.17Å; M27-L42 HydrophobicContact SD-CD1 4.44Å; M27-T66 HydrophobicContact CE-CG2 4.05Å; M27-T66 WeakPolarHBondContact CE-OG1 3.33Å; M27-L69 HydrophobicContact SD-CD1 3.55Å; M27-L69 VanDerWaalsContact SD-CD1 3.55Å
28C97.4Very high96.5Very high53 Ų5392.3 Ų92.336%0.35845%0.446SS..EExtended strand (participates in β ladder)trans-129.5136.5175.7-54.50000110K41C28-K41 PolarHBondContact N-O 2.84Å; C28-K41 PolarHBondContact O-N 3.33Å
29T96.9Very high96.6Very high86 Ų8693.5 Ų93.553%0.52846%0.455SS..EExtended strand (participates in β ladder)trans-114.9139.9171.853.90000109.8M27 V39 V40M27-T29 HydrophobicContact CE-CG2 4.24Å; T29-V39 CarbonylContact C-O 3.54Å; T29-V39 WeakPolarHBondContact CA-O 3.28Å; T29-V40 HydrophobicContact CG2-CG1 4.34Å; T29-V40 HydrophobicContact CG2-CG2 4.31Å
30K98.1Very high96.7Very high132 Ų13288.6 Ų88.657%0.57443%0.429SS*.EExtended strand (participates in β ladder)trans-133.1109.7173.9178.3-179.1178.3177.10108.7V39K30-V39 HydrophobicContact CB-CB 4.29Å; K30-V39 PolarHBondContact N-O 3.33Å; K30-V39 PolarHBondContact O-N 2.95Å
31Y97.7Very high96.9Very high139 Ų13984.8 Ų84.855%0.54541%0.41SS..EExtended strand (participates in β ladder)trans-95139.5174.2-180-117.9000110.6H33 L38Y31-H33 HydrophobicContact CE1-CB 3.77Å; Y31-H33 AromaticContact CE1-ND1 3.92Å; Y31-H33 AromaticContact CZ-ND1 3.76Å; Y31-H33 PolarHBondContact OH-ND1 3.45Å; Y31-L38 HydrophobicContact CD2-CB 4.44Å; Y31-L38 HydrophobicContact CD2-CD1 4.46Å
32R98.1Very high97.1Very high126 Ų12682.6 Ų82.648%0.47540%0.398SS..EExtended strand (participates in β ladder)trans-133.2107.4172.2178.8172.8-82.4-124.2-3.7109.6V34 D35 R36 K37R32-V34 HydrophobicContact CG-CG1 3.83Å; R32-D35 VanDerWaalsContact CD-CG 3.4Å; R32-D35 WeakPolarHBondContact CD-OD2 3.34Å; R32-D35 HydrophobicContact CG-CB 4.02Å; R32-D35 IonicContact NE-OD2 3.9Å; R32-D35 PolarHBondContact O-N 2.96Å; R32-R36 PolarHBondContact O-N 3.5Å; R32-R36 VanDerWaalsContact O-N 3.12Å; R32-K37 PolarHBondContact N-O 2.98Å; R32-K37 PolarHBondContact O-N 2.96Å
33H97.8Very high97.2Very high140 Ų14080.4 Ų80.465%0.64838%0.384SS*.THydrogen-bonded Turntrans-63.4-46.2-174.2-169.668000113.2Y31 D35 R36Y31-H33 HydrophobicContact CE1-CB 3.77Å; Y31-H33 AromaticContact CE1-ND1 3.92Å; Y31-H33 AromaticContact CZ-ND1 3.76Å; Y31-H33 PolarHBondContact OH-ND1 3.45Å; H33-D35 VanDerWaalsContact C-N 3.25Å; H33-D35 PolarHBondContact O-N 2.86Å; H33-R36 PolarHBondContact O-N 3.09Å
34V97.9Very high97.4Very high118 Ų11876.5 Ų76.572%0.71536%0.355SS*.THydrogen-bonded Turntrans-59.1-35.6-178.566.40000113R32R32-V34 HydrophobicContact CG-CG1 3.83Å
35D97.2Very high97.4Very high83 Ų8375.6 Ų75.644%0.44436%0.356SS..THydrogen-bonded Turntrans-89.9-7.3178.9-65.4-11.3000112.4R32 H33 K37R32-D35 VanDerWaalsContact CD-CG 3.4Å; R32-D35 WeakPolarHBondContact CD-OD2 3.34Å; R32-D35 HydrophobicContact CG-CB 4.02Å; R32-D35 IonicContact NE-OD2 3.9Å; R32-D35 PolarHBondContact O-N 2.96Å; H33-D35 VanDerWaalsContact C-N 3.25Å; H33-D35 PolarHBondContact O-N 2.86Å; D35-K37 HydrophobicContact CB-CB 4.27Å; D35-K37 HydrophobicContact CB-CD 4.37Å; D35-K37 HydrophobicContact CB-CG 4.36Å; D35-K37 PolarHBondContact O-N 2.8Å
36R96.5Very high97.4Very high193 Ų19382.9 Ų82.973%0.72839%0.388SS*.THydrogen-bonded Turntrans52.233.3-170.8-60.9175.3-72.2-179.2-2.8113.2R32 H33 D54R32-R36 PolarHBondContact O-N 3.5Å; R32-R36 VanDerWaalsContact O-N 3.12Å; H33-R36 PolarHBondContact O-N 3.09Å; R36-D54 WeakPolarHBondContact O-CA 3.46Å
37K97.5Very high97.4Very high97 Ų9780.1 Ų80.142%0.42238%0.384SS..EExtended strand (participates in β ladder)trans-112.9139-176.6-77.5177.9-177.7-1790111.9R32 D35 D54R32-K37 PolarHBondContact N-O 2.98Å; R32-K37 PolarHBondContact O-N 2.96Å; D35-K37 HydrophobicContact CB-CB 4.27Å; D35-K37 HydrophobicContact CB-CD 4.37Å; D35-K37 HydrophobicContact CB-CG 4.36Å; D35-K37 PolarHBondContact O-N 2.8Å; K37-D54 HydrophobicContact CG-CB 4.25Å
38L97.8Very high97.4Very high26 Ų2679.7 Ų79.714%0.13638%0.384CS..EExtended strand (participates in β ladder)trans-116128.8168.6-179.658.3000108.9Y31 V40 V52 T53 I62Y31-L38 HydrophobicContact CD2-CB 4.44Å; Y31-L38 HydrophobicContact CD2-CD1 4.46Å; L38-V40 HydrophobicContact CG-CG2 4.31Å; L38-V52 WeakPolarHBondContact O-CA 3.49Å; L38-T53 HydrophobicContact CB-CG2 4.3Å; L38-T53 PolarHBondContact N-O 3.44Å; L38-T53 PolarHBondContact O-N 3.47Å; L38-I62 HydrophobicContact CD2-CD1 3.49Å; L38-I62 VanDerWaalsContact CD2-CD1 3.49Å; L38-I62 HydrophobicContact CG-CD1 4.23Å
39V97.8Very high97.5Very high36 Ų3677.6 Ų77.622%0.21837%0.369CS..EExtended strand (participates in β ladder)trans-109.2129.9173.3-178.60000108.3T29 K30 K50 V52T29-V39 CarbonylContact C-O 3.54Å; T29-V39 WeakPolarHBondContact CA-O 3.28Å; K30-V39 HydrophobicContact CB-CB 4.29Å; K30-V39 PolarHBondContact N-O 3.33Å; K30-V39 PolarHBondContact O-N 2.95Å; V39-K50 HydrophobicContact CG1-CD 4.22Å; V39-K50 HydrophobicContact CG1-CG 4.13Å; V39-V52 HydrophobicContact CG1-CG2 4.22Å; V39-V52 HydrophobicContact CG2-CG1 4.18Å; V39-V52 HydrophobicContact CG2-CG2 4.08Å
40V97.9Very high97.5Very high0 Ų076.1 Ų76.10%036%0.355CS..EExtended strand (participates in β ladder)trans-118.2135.7172.6-170.70000108.5F10 M27 T29 L38 K50 Y51 I62F10-V40 HydrophobicContact CE1-CB 4.33Å; F10-V40 HydrophobicContact CE1-CG1 3.9Å; F10-V40 HydrophobicContact CZ-CB 4.21Å; F10-V40 HydrophobicContact CZ-CG1 3.8Å; M27-V40 HydrophobicContact CE-CG1 3.92Å; M27-V40 HydrophobicContact CG-CG1 4.38Å; M27-V40 HydrophobicContact SD-CG1 4.31Å; T29-V40 HydrophobicContact CG2-CG1 4.34Å; T29-V40 HydrophobicContact CG2-CG2 4.31Å; L38-V40 HydrophobicContact CG-CG2 4.31Å; V40-K50 WeakPolarHBondContact O-CA 3.46Å; V40-Y51 PolarHBondContact N-O 3.39Å; V40-Y51 PolarHBondContact O-N 3.48Å; V40-I62 HydrophobicContact CG2-CD1 3.66Å; V40-I62 HydrophobicContact CG2-CG1 3.93Å; V40-I62 HydrophobicContact CG2-CG2 3.72Å
41K98.1Very high97.6Very high61 Ų6170.5 Ų70.527%0.26533%0.331SS..EExtended strand (participates in β ladder)trans-136.8135.4-179.4-171.4-174.771.9175.60110.3M27 C28 V48 L49M27-K41 CarbonylContact C-O 3.47Å; M27-K41 VanDerWaalsContact CA-O 3.32Å; M27-K41 WeakPolarHBondContact CA-O 3.32Å; C28-K41 PolarHBondContact N-O 2.84Å; C28-K41 PolarHBondContact O-N 3.33Å; K41-V48 HydrophobicContact CD-CG1 3.72Å; K41-V48 HydrophobicContact CG-CG1 3.8Å; K41-L49 CarbonylContact C-O 3.59Å; K41-L49 VanDerWaalsContact CA-O 3.28Å; K41-L49 WeakPolarHBondContact CA-O 3.28Å; K41-L49 WeakPolarHBondContact CG-O 3.24Å
42L98Very high97.6Very high1 Ų166.8 Ų66.81%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-125.3130.1174.6-164.656.9000107.2F10 A14 L17 R26 M27 L49 L69F10-L42 HydrophobicContact CZ-CB 4.41Å; A14-L42 HydrophobicContact CB-CB 4.21Å; A14-L42 HydrophobicContact CB-CG 3.9Å; L17-L42 HydrophobicContact CB-CD2 4.04Å; L17-L42 HydrophobicContact CD2-CD2 3.75Å; L17-L42 HydrophobicContact CG-CD2 4.03Å; R26-L42 WeakPolarHBondContact O-CA 3.5Å; M27-L42 HydrophobicContact CB-CD1 3.76Å; M27-L42 HydrophobicContact CG-CD1 4.17Å; M27-L42 HydrophobicContact SD-CD1 4.44Å; L42-L49 HydrophobicContact CB-CB 4.47Å; L42-L49 PolarHBondContact N-O 3.19Å; L42-L49 PolarHBondContact O-N 2.85Å; L42-L69 HydrophobicContact CD1-CD1 4.13Å
43T98.2Very high97.5Very high2 Ų261.2 Ų61.21%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-155.6145.5-177-177.60000112.8C25 R26 N45 T47C25-T43 CarbonylContact C-O 3.55Å; C25-T43 WeakPolarHBondContact CA-O 3.41Å; R26-T43 HydrophobicContact CG-CG2 3.75Å; R26-T43 PolarHBondContact N-O 3.21Å; R26-T43 PolarHBondContact O-N 3.44Å; T43-N45 PolarHBondContact OG1-N 3.47Å; T43-N45 VanDerWaalsContact OG1-N 3.07Å; T43-T47 VanDerWaalsContact CA-O 3.24Å; T43-T47 WeakPolarHBondContact CA-O 3.4Å; T43-T47 VanDerWaalsContact CB-O 3.26Å; T43-T47 WeakPolarHBondContact CB-O 3.5Å; T43-T47 PolarHBondContact OG1-O 3.01Å
44D97.2Very high97.5Very high25 Ų2559.7 Ų59.713%0.13430%0.299CS..  trans-101.212.1170.767.6-16.9000112.8L17 K24 H46 T47L17-D44 HydrophobicContact CD1-CB 4.46Å; K24-D44 HydrophobicContact CB-CB 4.3Å; K24-D44 WeakPolarHBondContact O-CA 3.39Å; D44-H46 VanDerWaalsContact C-N 3.3Å; D44-H46 PolarHBondContact O-N 3.46Å; D44-H46 PolarHBondContact OD1-N 3.08Å; D44-T47 PolarHBondContact N-O 2.88Å; D44-T47 WeakPolarHBondContact OD1-CA 3.19Å; D44-T47 PolarHBondContact OD1-N 3.1Å; D44-T47 VanDerWaalsContact OD1-O 3.14Å
45N95.4Very high97.4Very high96 Ų9658.9 Ų58.951%0.51329%0.289SS..SBendtrans75-6.5-168.4-50.6-70.4000116.8R26 T43R26-N45 PolarHBondContact NH1-OD1 3.41Å; R26-N45 VanDerWaalsContact NH1-OD1 3.12Å; R26-N45 PolarHBondContact NH2-OD1 2.91Å; T43-N45 PolarHBondContact OG1-N 3.47Å; T43-N45 VanDerWaalsContact OG1-N 3.07Å
46H96.1Very high97.2Very high166 Ų16658.7 Ų58.777%0.76930%0.299SS*.SBendtrans-109.6-55.6173.5-67.8-79.8000110.7D44D44-H46 VanDerWaalsContact C-N 3.3Å; D44-H46 PolarHBondContact O-N 3.46Å; D44-H46 PolarHBondContact OD1-N 3.08Å
47T96.9Very high97.2Very high62 Ų6255.8 Ų55.838%0.3829%0.293SS..  trans-91.8134.2173.5-58.70000109.4L17 T43 D44 L49L17-T47 HydrophobicContact CD1-CG2 4.4Å; L17-T47 HydrophobicContact CD2-CG2 3.86Å; T43-T47 VanDerWaalsContact CA-O 3.24Å; T43-T47 WeakPolarHBondContact CA-O 3.4Å; T43-T47 VanDerWaalsContact CB-O 3.26Å; T43-T47 WeakPolarHBondContact CB-O 3.5Å; T43-T47 PolarHBondContact OG1-O 3.01Å; D44-T47 PolarHBondContact N-O 2.88Å; D44-T47 WeakPolarHBondContact OD1-CA 3.19Å; D44-T47 PolarHBondContact OD1-N 3.1Å; D44-T47 VanDerWaalsContact OD1-O 3.14Å; T47-L49 HydrophobicContact CG2-CD2 3.78Å; T47-L49 HydrophobicContact CG2-CG 4.27Å
48V97.8Very high97.1Very high31 Ų3151.3 Ų51.319%0.18827%0.274CS..EExtended strand (participates in β ladder)trans-127.1109.8177.6-171.40000108.6M1 T2 K41M1-V48 CarbonylContact C-O 3.51Å; M1-V48 VanDerWaalsContact CA-O 3.25Å; M1-V48 WeakPolarHBondContact CA-O 3.16Å; M1-V48 HydrophobicContact CB-CB 4.03Å; M1-V48 HydrophobicContact CB-CG1 4.22Å; M1-V48 HydrophobicContact CE-CG1 3.74Å; M1-V48 HydrophobicContact CG-CB 4.13Å; M1-V48 HydrophobicContact CG-CG1 3.82Å; T2-V48 PolarHBondContact N-O 2.87Å; K41-V48 HydrophobicContact CD-CG1 3.72Å; K41-V48 HydrophobicContact CG-CG1 3.8Å
49L98.2Very high97.1Very high10 Ų1054.6 Ų54.65%0.05229%0.291CS..EExtended strand (participates in β ladder)trans-97.6134174.9-48.1176.6000108.4F4 F10 A13 A14 L17 K41 L42 T47F4-L49 HydrophobicContact CE2-CB 3.94Å; F4-L49 HydrophobicContact CE2-CD2 3.63Å; F4-L49 HydrophobicContact CE2-CG 4.28Å; F4-L49 HydrophobicContact CZ-CD2 3.97Å; F10-L49 HydrophobicContact CD2-CB 4.29Å; F10-L49 HydrophobicContact CE2-CB 3.95Å; A13-L49 VanDerWaalsContact C-CD1 3.43Å; A13-L49 HydrophobicContact CB-CD1 3.82Å; A13-L49 HydrophobicContact CB-CD2 4.45Å; A13-L49 WeakPolarHBondContact O-CD1 3.36Å; A14-L49 HydrophobicContact CB-CD1 4.44Å; L17-L49 HydrophobicContact CB-CD1 4.1Å; L17-L49 HydrophobicContact CD2-CD1 3.83Å; L17-L49 HydrophobicContact CD2-CG 3.96Å; K41-L49 CarbonylContact C-O 3.59Å; K41-L49 VanDerWaalsContact CA-O 3.28Å; K41-L49 WeakPolarHBondContact CA-O 3.28Å; K41-L49 WeakPolarHBondContact CG-O 3.24Å; L42-L49 HydrophobicContact CB-CB 4.47Å; L42-L49 PolarHBondContact N-O 3.19Å; L42-L49 PolarHBondContact O-N 2.85Å; T47-L49 HydrophobicContact CG2-CD2 3.78Å; T47-L49 HydrophobicContact CG2-CG 4.27Å
50K98.4Very high97Very high55 Ų5559.5 Ų59.524%0.23931%0.309CS..EExtended strand (participates in β ladder)trans-137.5137.5-179.4179175.6161-156.40111.1M1 T2 N3 F4 V39 V40 V52M1-K50 HydrophobicContact CG-CB 4.26Å; M1-K50 HydrophobicContact SD-CB 4.37Å; M1-K50 HydrophobicContact SD-CD 3.68Å; T2-K50 PolarHBondContact O-N 2.96Å; N3-K50 WeakPolarHBondContact CA-O 3.35Å; N3-K50 VanDerWaalsContact OD1-CD 3.28Å; N3-K50 WeakPolarHBondContact OD1-CD 3.4Å; F4-K50 PolarHBondContact N-O 3.17Å; V39-K50 HydrophobicContact CG1-CD 4.22Å; V39-K50 HydrophobicContact CG1-CG 4.13Å; V40-K50 WeakPolarHBondContact O-CA 3.46Å; K50-V52 HydrophobicContact CD-CG2 4.45Å; K50-V52 HydrophobicContact CG-CG2 4.26Å
51Y98.4Very high97Very high14 Ų1463 Ų636%0.05532%0.324CS..EExtended strand (participates in β ladder)trans-127.5137.3171.7179.1-108.2000109.5F4 W7 F10 V40 T53 D58F4-Y51 WeakPolarHBondContact O-CD2 3.22Å; W7-Y51 HydrophobicContact CB-CE1 4.38Å; W7-Y51 HydrophobicContact CB-CE2 4.22Å; W7-Y51 HydrophobicContact CD2-CE1 4.5Å; W7-Y51 AromaticContact CE3-CD1 3.61Å; W7-Y51 HydrophobicContact CE3-CD1 3.61Å; W7-Y51 AromaticContact CE3-CE1 3.61Å; W7-Y51 HydrophobicContact CE3-CE1 3.61Å; W7-Y51 HydrophobicContact CE3-CG 4.23Å; W7-Y51 HydrophobicContact CZ3-CD1 4.04Å; W7-Y51 HydrophobicContact CZ3-CE1 4.37Å; F10-Y51 HydrophobicContact CB-CD2 4.37Å; F10-Y51 HydrophobicContact CB-CG 4.39Å; F10-Y51 HydrophobicContact CD1-CG 4.4Å; F10-Y51 HydrophobicContact CG-CG 4.23Å; V40-Y51 PolarHBondContact N-O 3.39Å; V40-Y51 PolarHBondContact O-N 3.48Å; Y51-T53 HydrophobicContact CD1-CG2 4.34Å; Y51-T53 HydrophobicContact CE1-CG2 3.68Å; Y51-D58 PolarHBondContact OH-OD2 3.14Å
52V97.8Very high97Very high60 Ų6060.5 Ų60.536%0.36431%0.313SS..EExtended strand (participates in β ladder)trans-128.5128.5178.3-174.90000107.8L38 V39 K50L38-V52 WeakPolarHBondContact O-CA 3.49Å; V39-V52 HydrophobicContact CG1-CG2 4.22Å; V39-V52 HydrophobicContact CG2-CG1 4.18Å; V39-V52 HydrophobicContact CG2-CG2 4.08Å; K50-V52 HydrophobicContact CD-CG2 4.45Å; K50-V52 HydrophobicContact CG-CG2 4.26Å
53T97.5Very high96.9Very high9 Ų965.4 Ų65.46%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-137146.2179.1-176.20000110.5L38 Y51 M55 D58 I62L38-T53 HydrophobicContact CB-CG2 4.3Å; L38-T53 PolarHBondContact N-O 3.44Å; L38-T53 PolarHBondContact O-N 3.47Å; Y51-T53 HydrophobicContact CD1-CG2 4.34Å; Y51-T53 HydrophobicContact CE1-CG2 3.68Å; T53-M55 PolarHBondContact OG1-N 2.84Å; T53-D58 HydrophobicContact CG2-CB 3.9Å; T53-D58 PolarHBondContact OG1-OD2 3.04Å; T53-I62 HydrophobicContact CG2-CD1 3.95Å
54D96.7Very high96.9Very high109 Ų10971.8 Ų71.858%0.58336%0.364SS*.  trans-111.12.7164.9564.6000111.8R36 K37R36-D54 WeakPolarHBondContact O-CA 3.46Å; K37-D54 HydrophobicContact CG-CB 4.25Å
55M95.7Very high96.9Very high101 Ų10171 Ų7150%0.49836%0.359SS..  trans-85.9118.5-179.8-52.3-171.3-178.600110.7T53 Q57 D58T53-M55 PolarHBondContact OG1-N 2.84Å; M55-Q57 HydrophobicContact CB-CG 4.05Å; M55-Q57 PolarHBondContact O-N 3.31Å; M55-Q57 VanDerWaalsContact O-N 3.17Å; M55-D58 PolarHBondContact O-N 2.83Å; M55-D58 VanDerWaalsContact O-N 3.09Å
56A94.5Very high96.9Very high79 Ų7968.4 Ų68.465%0.65335%0.347SS*.THydrogen-bonded Turntrans-59.4-30.2-18000000113.6D58 I59A56-D58 PolarHBondContact O-N 2.85Å; A56-I59 WeakPolarHBondContact O-CB 3.37Å; A56-I59 WeakPolarHBondContact O-CG1 3.02Å; A56-I59 PolarHBondContact O-N 3.08Å
57Q95.2Very high97Very high131 Ų13162.1 Ų62.161%0.61232%0.321SS*.Hα-helixtrans-62.3-26.117863.6-178.2-14.300113.6M55 I59M55-Q57 HydrophobicContact CB-CG 4.05Å; M55-Q57 PolarHBondContact O-N 3.31Å; M55-Q57 VanDerWaalsContact O-N 3.17Å; Q57-I59 VanDerWaalsContact C-N 3.29Å; Q57-I59 PolarHBondContact O-N 3.31Å
58D96.7Very high96.9Very high3 Ų361.7 Ų61.72%0.01632%0.316CS..Hα-helixtrans-77.7-17.5-178.7-65-31000112.3Y51 T53 M55 A56 K60 K61 I62Y51-D58 PolarHBondContact OH-OD2 3.14Å; T53-D58 HydrophobicContact CG2-CB 3.9Å; T53-D58 PolarHBondContact OG1-OD2 3.04Å; M55-D58 PolarHBondContact O-N 2.83Å; M55-D58 VanDerWaalsContact O-N 3.09Å; A56-D58 PolarHBondContact O-N 2.85Å; D58-K60 VanDerWaalsContact C-N 3.27Å; D58-K60 PolarHBondContact O-N 3.43Å; D58-K61 WeakPolarHBondContact O-CB 2.82Å; D58-K61 PolarHBondContact O-N 2.87Å; D58-K61 IonicContact OD1-NZ 2.84Å; D58-K61 PolarHBondContact OD1-NZ 2.69Å; D58-I62 HydrophobicContact CB-CD1 4.4Å; D58-I62 VanDerWaalsContact O-CG1 3.32Å; D58-I62 WeakPolarHBondContact O-CG1 3.5Å; D58-I62 PolarHBondContact O-N 3.13Å
59I96.2Very high96.8Very high96 Ų9660.4 Ų60.449%0.49231%0.308SS..Hα-helixtrans-55.7-45.4177.8-63177000110.4A56 Q57 K61 I62 E63A56-I59 WeakPolarHBondContact O-CB 3.37Å; A56-I59 WeakPolarHBondContact O-CG1 3.02Å; A56-I59 PolarHBondContact O-N 3.08Å; Q57-I59 VanDerWaalsContact C-N 3.29Å; Q57-I59 PolarHBondContact O-N 3.31Å; I59-K61 VanDerWaalsContact C-N 3.29Å; I59-K61 PolarHBondContact O-N 2.91Å; I59-I62 PolarHBondContact O-N 2.99Å; I59-E63 WeakPolarHBondContact O-CB 3.33Å; I59-E63 PolarHBondContact O-N 3.37Å
60K96.7Very high96.6Very high138 Ų13865 Ų6560%0.633%0.33SS*.Hα-helixtrans-68.5-29179.4-164.2167.4-173173.40112.4D58 K64D58-K60 VanDerWaalsContact C-N 3.27Å; D58-K60 PolarHBondContact O-N 3.43Å; K60-K64 VanDerWaalsContact O-CG 3.29Å; K60-K64 WeakPolarHBondContact O-CG 3.47Å; K60-K64 PolarHBondContact O-N 3.36Å
61K97.5Very high96.5Very high75 Ų7570.6 Ų70.633%0.32635%0.35SS..Hα-helixtrans-72.9-42.5175.3-54.8-179.9-170.4158.60110.8W7 D58 I59 K64 L65W7-K61 HydrophobicContact CD2-CB 4.18Å; W7-K61 HydrophobicContact CG-CB 4.45Å; W7-K61 HydrophobicContact CG-CD 3.98Å; W7-K61 VanDerWaalsContact CZ2-C 3.46Å; W7-K61 HydrophobicContact CZ2-CB 3.88Å; W7-K61 VanDerWaalsContact CZ2-O 3.28Å; W7-K61 WeakPolarHBondContact CZ2-O 3.31Å; D58-K61 WeakPolarHBondContact O-CB 2.82Å; D58-K61 PolarHBondContact O-N 2.87Å; D58-K61 IonicContact OD1-NZ 2.84Å; D58-K61 PolarHBondContact OD1-NZ 2.69Å; I59-K61 VanDerWaalsContact C-N 3.29Å; I59-K61 PolarHBondContact O-N 2.91Å; K61-K64 WeakPolarHBondContact O-CB 3.44Å; K61-K64 PolarHBondContact O-N 3.23Å; K61-L65 PolarHBondContact O-N 3.33Å
62I97.1Very high96.2Very high7 Ų773.8 Ų73.84%0.03637%0.365CS..Hα-helixtrans-63.4-43.3176.5-66.1161.8000111W7 L38 V40 T53 D58 I59 K64 L65 T66W7-I62 HydrophobicContact CE3-CG1 4.03Å; W7-I62 HydrophobicContact CH2-CB 4.12Å; W7-I62 HydrophobicContact CH2-CG1 3.57Å; W7-I62 HydrophobicContact CZ2-CG1 4.41Å; W7-I62 HydrophobicContact CZ3-CB 4.36Å; W7-I62 HydrophobicContact CZ3-CD1 4.35Å; W7-I62 HydrophobicContact CZ3-CG1 3.35Å; L38-I62 HydrophobicContact CD2-CD1 3.49Å; L38-I62 VanDerWaalsContact CD2-CD1 3.49Å; L38-I62 HydrophobicContact CG-CD1 4.23Å; V40-I62 HydrophobicContact CG2-CD1 3.66Å; V40-I62 HydrophobicContact CG2-CG1 3.93Å; V40-I62 HydrophobicContact CG2-CG2 3.72Å; T53-I62 HydrophobicContact CG2-CD1 3.95Å; D58-I62 HydrophobicContact CB-CD1 4.4Å; D58-I62 VanDerWaalsContact O-CG1 3.32Å; D58-I62 WeakPolarHBondContact O-CG1 3.5Å; D58-I62 PolarHBondContact O-N 3.13Å; I59-I62 PolarHBondContact O-N 2.99Å; I62-K64 PolarHBondContact O-N 2.9Å; I62-L65 PolarHBondContact O-N 3.05Å; I62-T66 WeakPolarHBondContact O-CB 3.46Å; I62-T66 PolarHBondContact O-N 2.89Å; I62-T66 PolarHBondContact O-OG1 3.24Å
63E96.9Very high96Very high104 Ų10475.6 Ų75.649%0.48637%0.371SS..Hα-helixtrans-59.1-44.5174.7179.8-115.2148.400111.9I59 T66 T67I59-E63 WeakPolarHBondContact O-CB 3.33Å; I59-E63 PolarHBondContact O-N 3.37Å; E63-T66 PolarHBondContact O-N 2.9Å; E63-T67 WeakPolarHBondContact O-CB 3.38Å; E63-T67 PolarHBondContact O-N 3.44Å; E63-T67 PolarHBondContact O-OG1 3.22Å
64K97.4Very high95.8Very high137 Ų13779.1 Ų79.160%0.59640%0.401SS*.Hα-helixtrans-59.9-47.4174.5-75.7175.5178.7-172.80112.8K60 K61 I62 T67 L68K60-K64 VanDerWaalsContact O-CG 3.29Å; K60-K64 WeakPolarHBondContact O-CG 3.47Å; K60-K64 PolarHBondContact O-N 3.36Å; K61-K64 WeakPolarHBondContact O-CB 3.44Å; K61-K64 PolarHBondContact O-N 3.23Å; I62-K64 PolarHBondContact O-N 2.9Å; K64-T67 PolarHBondContact O-N 3.23Å; K64-L68 WeakPolarHBondContact O-CB 3.36Å; K64-L68 PolarHBondContact O-N 2.88Å
65L97.2Very high95.5Very high7 Ų776.7 Ų76.74%0.03739%0.392CS..Hα-helixtrans-62.7-44.2177.617964.6000111.3W7 F10 A11 A14 E15 K61 I62 T67 L68 L69W7-L65 HydrophobicContact CH2-CB 3.9Å; W7-L65 HydrophobicContact CH2-CD2 3.56Å; W7-L65 HydrophobicContact CH2-CG 4.39Å; W7-L65 HydrophobicContact CZ2-CB 3.88Å; W7-L65 HydrophobicContact CZ2-CD2 4.04Å; W7-L65 HydrophobicContact CZ3-CD2 4.43Å; F10-L65 HydrophobicContact CD1-CD2 4.48Å; F10-L65 HydrophobicContact CE1-CD2 4.02Å; A11-L65 HydrophobicContact CB-CD2 4.38Å; A14-L65 HydrophobicContact CB-CD2 4.35Å; E15-L65 HydrophobicContact CG-CD1 4.02Å; K61-L65 PolarHBondContact O-N 3.33Å; I62-L65 PolarHBondContact O-N 3.05Å; L65-T67 VanDerWaalsContact C-N 3.28Å; L65-T67 PolarHBondContact O-N 3.12Å; L65-L68 WeakPolarHBondContact O-CB 3.32Å; L65-L68 PolarHBondContact O-N 3.49Å; L65-L69 HydrophobicContact CD1-CD1 4.45Å; L65-L69 HydrophobicContact CD1-CG 4.32Å; L65-L69 HydrophobicContact CG-CD1 4.29Å; L65-L69 WeakPolarHBondContact O-CG 3.44Å; L65-L69 PolarHBondContact O-N 2.99Å
66T96.8Very high94.5Very high42 Ų4282.3 Ų82.326%0.25841%0.414SS..Hα-helixtrans-57.8-45.7177.1-47.70000110.4M27 I62 E63 L69 M70M27-T66 HydrophobicContact CE-CG2 4.05Å; M27-T66 WeakPolarHBondContact CE-OG1 3.33Å; I62-T66 WeakPolarHBondContact O-CB 3.46Å; I62-T66 PolarHBondContact O-N 2.89Å; I62-T66 PolarHBondContact O-OG1 3.24Å; E63-T66 PolarHBondContact O-N 2.9Å; T66-L69 PolarHBondContact O-N 3.22Å; T66-M70 HydrophobicContact CG2-CE 3.96Å; T66-M70 HydrophobicContact CG2-SD 4.47Å; T66-M70 WeakPolarHBondContact O-CB 3.49Å; T66-M70 VanDerWaalsContact O-CG 3.31Å; T66-M70 WeakPolarHBondContact O-CG 3.4Å; T66-M70 PolarHBondContact O-N 2.88Å
67T96.9Very high93.1Very high34 Ų3486.5 Ų86.521%0.20942%0.42CS..Hα-helixtrans-65.1-40.7179-580000112.2E63 K64 L65 M70 R71E63-T67 WeakPolarHBondContact O-CB 3.38Å; E63-T67 PolarHBondContact O-N 3.44Å; E63-T67 PolarHBondContact O-OG1 3.22Å; K64-T67 PolarHBondContact O-N 3.23Å; L65-T67 VanDerWaalsContact C-N 3.28Å; L65-T67 PolarHBondContact O-N 3.12Å; T67-M70 PolarHBondContact O-N 3.29Å; T67-R71 WeakPolarHBondContact O-CG 3.45Å; T67-R71 PolarHBondContact O-N 2.92Å; T67-R71 VanDerWaalsContact O-N 3.08Å
68L95.1Very high91.2Very high53 Ų5392.4 Ų92.428%0.27744%0.444SS..Hα-helixtrans-58.5-53.4174.9177.363.7000110.7E15 K64 L65 M70 R71 H72E15-L68 HydrophobicContact CG-CD2 4.41Å; E15-L68 WeakPolarHBondContact OE1-CD2 3.33Å; K64-L68 WeakPolarHBondContact O-CB 3.36Å; K64-L68 PolarHBondContact O-N 2.88Å; L65-L68 WeakPolarHBondContact O-CB 3.32Å; L65-L68 PolarHBondContact O-N 3.49Å; L68-M70 VanDerWaalsContact C-N 3.34Å; L68-M70 PolarHBondContact O-N 3.4Å; L68-R71 WeakPolarHBondContact O-CB 3.38Å; L68-R71 PolarHBondContact O-N 2.91Å; L68-R71 VanDerWaalsContact O-N 3.13Å; L68-H72 WeakPolarHBondContact CD1-NE2 3.28Å; L68-H72 PolarHBondContact O-CD2 2.86Å; L68-H72 PolarHBondContact O-N 3.22Å; L68-H72 VanDerWaalsContact O-N 3.08Å
69L95.3Very high90.9Very high5 Ų596.9 Ų96.93%0.02647%0.465CS..Hα-helixtrans-59.7-43.1179-66.2177.4000111.8Y18 M27 L42 L65 T66 R71 H72 M73Y18-L69 HydrophobicContact CD1-CD2 3.7Å; Y18-L69 HydrophobicContact CD2-CD2 4.02Å; Y18-L69 HydrophobicContact CE1-CD2 4.25Å; Y18-L69 HydrophobicContact CG-CD2 3.58Å; M27-L69 HydrophobicContact SD-CD1 3.55Å; M27-L69 VanDerWaalsContact SD-CD1 3.55Å; L42-L69 HydrophobicContact CD1-CD1 4.13Å; L65-L69 HydrophobicContact CD1-CD1 4.45Å; L65-L69 HydrophobicContact CD1-CG 4.32Å; L65-L69 HydrophobicContact CG-CD1 4.29Å; L65-L69 WeakPolarHBondContact O-CG 3.44Å; L65-L69 PolarHBondContact O-N 2.99Å; T66-L69 PolarHBondContact O-N 3.22Å; L69-R71 VanDerWaalsContact C-N 3.29Å; L69-R71 PolarHBondContact O-N 3.17Å; L69-H72 PolarHBondContact O-N 3.09Å; L69-M73 HydrophobicContact CB-CE 4.32Å; L69-M73 WeakPolarHBondContact O-CB 3.29Å; L69-M73 VanDerWaalsContact O-CG 3.24Å; L69-M73 WeakPolarHBondContact O-CG 3.38Å; L69-M73 PolarHBondContact O-N 3.32Å
70M95.4Very high90.6Very high105 Ų10596.9 Ų96.952%0.51746%0.464SS..Hα-helixtrans-59.2-38.7176.5-75.5-173.4-65.300112.7T66 T67 L68 M73 A74T66-M70 HydrophobicContact CG2-CE 3.96Å; T66-M70 HydrophobicContact CG2-SD 4.47Å; T66-M70 WeakPolarHBondContact O-CB 3.49Å; T66-M70 VanDerWaalsContact O-CG 3.31Å; T66-M70 WeakPolarHBondContact O-CG 3.4Å; T66-M70 PolarHBondContact O-N 2.88Å; T67-M70 PolarHBondContact O-N 3.29Å; L68-M70 VanDerWaalsContact C-N 3.34Å; L68-M70 PolarHBondContact O-N 3.4Å; M70-M73 PolarHBondContact O-N 3.19Å; M70-A74 WeakPolarHBondContact O-CB 3.38Å; M70-A74 PolarHBondContact O-N 2.84Å; M70-A74 VanDerWaalsContact O-N 3.1Å
71R94.9Very high90.3Very high174 Ų17494.6 Ų94.666%0.65746%0.456SS*.Hα-helixtrans-66.4-43.9175.8-69.9175.6-162.4160.54.5111.7T67 L68 L69 M73 A74 S75T67-R71 WeakPolarHBondContact O-CG 3.45Å; T67-R71 PolarHBondContact O-N 2.92Å; T67-R71 VanDerWaalsContact O-N 3.08Å; L68-R71 WeakPolarHBondContact O-CB 3.38Å; L68-R71 PolarHBondContact O-N 2.91Å; L68-R71 VanDerWaalsContact O-N 3.13Å; L69-R71 VanDerWaalsContact C-N 3.29Å; L69-R71 PolarHBondContact O-N 3.17Å; R71-M73 VanDerWaalsContact C-N 3.3Å; R71-M73 PolarHBondContact O-N 2.73Å; R71-A74 PolarHBondContact O-N 2.97Å; R71-S75 PolarHBondContact O-N 3.47Å
72H92.7Very high89.8Confident81 Ų8195.8 Ų95.838%0.37546%0.464SS..Hα-helixtrans-63.8-35.9175.1-73.7-74.5000112.5Y18 L68 L69 A74 S75Y18-H72 HydrophobicContact CE1-CB 3.61Å; L68-H72 WeakPolarHBondContact CD1-NE2 3.28Å; L68-H72 PolarHBondContact O-CD2 2.86Å; L68-H72 PolarHBondContact O-N 3.22Å; L68-H72 VanDerWaalsContact O-N 3.08Å; L69-H72 PolarHBondContact O-N 3.09Å; H72-A74 VanDerWaalsContact C-N 3.26Å; H72-A74 PolarHBondContact O-N 2.86Å; H72-S75 PolarHBondContact O-N 3Å; H72-S75 PolarHBondContact O-OG 3.3Å
73M93.7Very high89.4Confident97 Ų97101.3 Ų101.348%0.47849%0.491SS..Hα-helixtrans-67.6-29.7176.3-71.1172.4-17600112.1Y18 L69 M70 R71Y18-M73 HydrophobicContact CD2-CE 4.11Å; Y18-M73 HydrophobicContact CE2-CE 3.48Å; Y18-M73 VanDerWaalsContact CE2-CE 3.48Å; Y18-M73 HydrophobicContact CE2-CG 3.86Å; Y18-M73 WeakPolarHBondContact OH-CA 3.41Å; Y18-M73 WeakPolarHBondContact OH-CG 3.41Å; Y18-M73 PolarHBondContact OH-N 2.84Å; L69-M73 HydrophobicContact CB-CE 4.32Å; L69-M73 WeakPolarHBondContact O-CB 3.29Å; L69-M73 VanDerWaalsContact O-CG 3.24Å; L69-M73 WeakPolarHBondContact O-CG 3.38Å; L69-M73 PolarHBondContact O-N 3.32Å; M70-M73 PolarHBondContact O-N 3.19Å; R71-M73 VanDerWaalsContact C-N 3.3Å; R71-M73 PolarHBondContact O-N 2.73Å
74A93.6Very high88.9Confident84 Ų84101.1 Ų101.169%0.69449%0.491SS*.Hα-helixtrans-89.2-16.3179.600000113.6M70 R71 H72M70-A74 WeakPolarHBondContact O-CB 3.38Å; M70-A74 PolarHBondContact O-N 2.84Å; M70-A74 VanDerWaalsContact O-N 3.1Å; R71-A74 PolarHBondContact O-N 2.97Å; H72-A74 VanDerWaalsContact C-N 3.26Å; H72-A74 PolarHBondContact O-N 2.86Å
75S90.6Very high88.3Confident57 Ų5798.6 Ų98.640%0.39948%0.483SS..  trans-71.8142.9178.2580000111.2R71 H72 E77R71-S75 PolarHBondContact O-N 3.47Å; H72-S75 PolarHBondContact O-N 3Å; H72-S75 PolarHBondContact O-OG 3.3Å; S75-E77 VanDerWaalsContact C-N 3.27Å; S75-E77 PolarHBondContact O-N 3.26Å
76K74.4Confident87.6Confident219 Ų219105.6 Ų105.695%0.95252%0.518SS*.SBendtrans-78.4-11.3178.4-70.5-174.9177.2-179.10113.7
77E64.6Low86.8Confident168 Ų168110.9 Ų110.979%0.78554%0.539SS*.  trans-92.5134.7177.4-68.2-176.2159.400109.7S75S75-E77 VanDerWaalsContact C-N 3.27Å; S75-E77 PolarHBondContact O-N 3.26Å
78K55Low85.9Confident254 Ų254117.9 Ų117.9100%1.10457%0.57SS**  trans-70.40171.1-84-171.3175.2-173.10110.2

Retrieved 78 of 78 residues in 17.1 ms (Link to these results)

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