A0A077ZIG4_TRITR Loading...

Integrator complex subunit 12

AlphaFold DB , UniProt , Accession A0A077ZIG4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M45.1Very low76.5Confident230 Ų230100.7 Ų100.7100%1.13351%0.507SS*.  0900-74.1-67.9-173.200105.6F3M1-F3 PolarHBondContact O-N 3.46Å
2D62.8Low77.2Confident123 Ų12397.7 Ų97.766%0.65849%0.491SS*.  trans-76.580-178.5-61-54.6000108.8G4 D5D2-G4 PolarHBondContact O-N 2.96Å; D2-D5 PolarHBondContact O-N 3.09Å
3F65.3Low78.2Confident47 Ų4796.6 Ų96.621%0.20649%0.493CS..THydrogen-bonded Turntrans-60.5-29.9-179177.1-108.3000111.7M1 P6 Y7 V33 F36 Y37M1-F3 PolarHBondContact O-N 3.46Å; F3-P6 WeakPolarHBondContact O-CD 3.25Å; F3-Y7 HydrophobicContact CD2-CD2 4.33Å; F3-Y7 AromaticContact CD2-CE2 3.81Å; F3-Y7 HydrophobicContact CD2-CE2 3.81Å; F3-Y7 HydrophobicContact CE1-CD2 4.22Å; F3-Y7 HydrophobicContact CE1-CE2 4.15Å; F3-Y7 AromaticContact CE2-CD2 3.81Å; F3-Y7 HydrophobicContact CE2-CD2 3.81Å; F3-Y7 AromaticContact CE2-CE2 3.03Å; F3-Y7 HydrophobicContact CE2-CE2 3.03Å; F3-Y7 AromaticContact CE2-CZ 3.63Å; F3-Y7 AromaticContact CZ-CD2 3.71Å; F3-Y7 HydrophobicContact CZ-CD2 3.71Å; F3-Y7 HydrophobicContact CZ-CE1 4.49Å; F3-Y7 AromaticContact CZ-CE2 3.22Å; F3-Y7 HydrophobicContact CZ-CE2 3.22Å; F3-Y7 AromaticContact CZ-CZ 3.61Å; F3-Y7 VanDerWaalsContact O-CD2 3.27Å; F3-Y7 WeakPolarHBondContact O-CD2 3.49Å; F3-V33 HydrophobicContact CE1-CG1 4.46Å; F3-F36 HydrophobicContact CB-CE1 4.29Å; F3-F36 HydrophobicContact CB-CZ 4.33Å; F3-F36 AromaticContact CD1-CD1 3.85Å; F3-F36 HydrophobicContact CD1-CD1 3.85Å; F3-F36 AromaticContact CD1-CE1 3.65Å; F3-F36 HydrophobicContact CD1-CE1 3.65Å; F3-F36 HydrophobicContact CD1-CZ 4.37Å; F3-F36 AromaticContact CD2-CD1 3.58Å; F3-F36 HydrophobicContact CD2-CD1 3.58Å; F3-F36 AromaticContact CD2-CD2 3.8Å; F3-F36 HydrophobicContact CD2-CD2 3.8Å; F3-F36 AromaticContact CD2-CE1 3.17Å; F3-F36 HydrophobicContact CD2-CE1 3.17Å; F3-F36 AromaticContact CD2-CE2 3.41Å; F3-F36 HydrophobicContact CD2-CE2 3.41Å; F3-F36 VanDerWaalsContact CD2-CE2 3.41Å; F3-F36 AromaticContact CD2-CG 3.86Å; F3-F36 HydrophobicContact CD2-CG 3.86Å; F3-F36 AromaticContact CD2-CZ 3.06Å; F3-F36 HydrophobicContact CD2-CZ 3.06Å; F3-F36 HydrophobicContact CE1-CB 4.42Å; F3-F36 AromaticContact CE1-CD1 3.38Å; F3-F36 HydrophobicContact CE1-CD1 3.38Å; F3-F36 AromaticContact CE1-CE1 3.72Å; F3-F36 HydrophobicContact CE1-CE1 3.72Å; F3-F36 HydrophobicContact CE1-CG 4Å; F3-F36 HydrophobicContact CE2-CB 3.72Å; F3-F36 AromaticContact CE2-CD1 3.06Å; F3-F36 HydrophobicContact CE2-CD1 3.06Å; F3-F36 AromaticContact CE2-CD2 3.13Å; F3-F36 HydrophobicContact CE2-CD2 3.13Å; F3-F36 AromaticContact CE2-CE1 3.23Å; F3-F36 HydrophobicContact CE2-CE1 3.23Å; F3-F36 AromaticContact CE2-CE2 3.29Å; F3-F36 HydrophobicContact CE2-CE2 3.29Å; F3-F36 AromaticContact CE2-CG 2.99Å; F3-F36 HydrophobicContact CE2-CG 2.99Å; F3-F36 AromaticContact CE2-CZ 3.33Å; F3-F36 HydrophobicContact CE2-CZ 3.33Å; F3-F36 AromaticContact CG-CD1 3.95Å; F3-F36 HydrophobicContact CG-CD1 3.95Å; F3-F36 AromaticContact CG-CE1 3.4Å; F3-F36 HydrophobicContact CG-CE1 3.4Å; F3-F36 HydrophobicContact CG-CE2 4.41Å; F3-F36 AromaticContact CG-CZ 3.66Å; F3-F36 HydrophobicContact CG-CZ 3.66Å; F3-F36 HydrophobicContact CZ-CB 3.43Å; F3-F36 VanDerWaalsContact CZ-CB 3.43Å; F3-F36 AromaticContact CZ-CD1 2.98Å; F3-F36 HydrophobicContact CZ-CD1 2.98Å; F3-F36 AromaticContact CZ-CD2 3.8Å; F3-F36 HydrophobicContact CZ-CD2 3.8Å; F3-F36 AromaticContact CZ-CE1 3.54Å; F3-F36 HydrophobicContact CZ-CE1 3.54Å; F3-F36 HydrophobicContact CZ-CE2 4.25Å; F3-F36 AromaticContact CZ-CG 3.11Å; F3-F36 HydrophobicContact CZ-CG 3.11Å; F3-F36 HydrophobicContact CZ-CZ 4.12Å; F3-Y37 HydrophobicContact CE1-CD2 4.43Å; F3-Y37 AromaticContact CE1-CE2 3.88Å; F3-Y37 HydrophobicContact CE1-CE2 3.88Å
4G74.7Confident78.9Confident43 Ų4391.3 Ų91.344%0.44347%0.466SS..Hα-helixtrans-70.4-32-176.100000114.8D2 Y7 Y8D2-G4 PolarHBondContact O-N 2.96Å; G4-Y7 PolarHBondContact O-N 2.85Å; G4-Y8 WeakPolarHBondContact O-CB 3.4Å; G4-Y8 PolarHBondContact O-N 2.98Å
5D77.4Confident79.4Confident108 Ų10891.9 Ų91.958%0.57848%0.475SS*.Hα-helixtrans-63.8-47.8-168.9-72.2-0.4000114.9D2 K9D2-D5 PolarHBondContact O-N 3.09Å; D5-K9 WeakPolarHBondContact O-CB 3.18Å; D5-K9 PolarHBondContact O-N 2.91Å
6P84.2Confident79.9Confident81 Ų8196.3 Ų96.353%0.52649%0.493SS..Hα-helixtrans-66.8-38.8-18024.3-32.9000112.4F3 K10F3-P6 WeakPolarHBondContact O-CD 3.25Å; P6-K10 WeakPolarHBondContact O-CB 3.27Å; P6-K10 PolarHBondContact O-N 3.08Å
7Y84.9Confident80.2Confident47 Ų4792.6 Ų92.618%0.18448%0.478CS..Hα-helixtrans-71.5-44.1178.6-67.2-87.1000111.4F3 G4 K9 K10 L11 V29 E32 V33F3-Y7 HydrophobicContact CD2-CD2 4.33Å; F3-Y7 AromaticContact CD2-CE2 3.81Å; F3-Y7 HydrophobicContact CD2-CE2 3.81Å; F3-Y7 HydrophobicContact CE1-CD2 4.22Å; F3-Y7 HydrophobicContact CE1-CE2 4.15Å; F3-Y7 AromaticContact CE2-CD2 3.81Å; F3-Y7 HydrophobicContact CE2-CD2 3.81Å; F3-Y7 AromaticContact CE2-CE2 3.03Å; F3-Y7 HydrophobicContact CE2-CE2 3.03Å; F3-Y7 AromaticContact CE2-CZ 3.63Å; F3-Y7 AromaticContact CZ-CD2 3.71Å; F3-Y7 HydrophobicContact CZ-CD2 3.71Å; F3-Y7 HydrophobicContact CZ-CE1 4.49Å; F3-Y7 AromaticContact CZ-CE2 3.22Å; F3-Y7 HydrophobicContact CZ-CE2 3.22Å; F3-Y7 AromaticContact CZ-CZ 3.61Å; F3-Y7 VanDerWaalsContact O-CD2 3.27Å; F3-Y7 WeakPolarHBondContact O-CD2 3.49Å; G4-Y7 PolarHBondContact O-N 2.85Å; Y7-K9 VanDerWaalsContact C-N 3.3Å; Y7-K9 PolarHBondContact O-N 3.29Å; Y7-K10 PolarHBondContact O-N 2.93Å; Y7-K10 VanDerWaalsContact O-N 3.15Å; Y7-L11 WeakPolarHBondContact O-CB 3.45Å; Y7-L11 VanDerWaalsContact O-CG 3.26Å; Y7-L11 WeakPolarHBondContact O-CG 3.4Å; Y7-L11 PolarHBondContact O-N 3.24Å; Y7-V29 HydrophobicContact CD1-CG1 4.03Å; Y7-E32 HydrophobicContact CE1-CB 3.87Å; Y7-V33 HydrophobicContact CD1-CG2 3.22Å; Y7-V33 HydrophobicContact CD2-CG2 4.48Å; Y7-V33 HydrophobicContact CE1-CG2 3.68Å; Y7-V33 HydrophobicContact CG-CG2 3.65Å
8Y83.8Confident80.2Confident147 Ų14797.1 Ų97.158%0.57650%0.503SS*.Hα-helixtrans-58.3-44.3175.8-178.6-101000111.2G4 K10 L11 M12G4-Y8 WeakPolarHBondContact O-CB 3.4Å; G4-Y8 PolarHBondContact O-N 2.98Å; Y8-K10 PolarHBondContact O-N 3.15Å; Y8-L11 PolarHBondContact O-N 3.46Å; Y8-M12 HydrophobicContact CD1-CG 4.08Å; Y8-M12 HydrophobicContact CD2-CG 4.35Å; Y8-M12 HydrophobicContact CE1-CG 3.67Å; Y8-M12 HydrophobicContact CE2-CE 4.06Å; Y8-M12 HydrophobicContact CE2-CG 3.97Å; Y8-M12 HydrophobicContact CE2-SD 4.08Å; Y8-M12 HydrophobicContact CG-CG 4.41Å; Y8-M12 WeakPolarHBondContact O-CB 3.34Å; Y8-M12 VanDerWaalsContact O-CG 3.29Å; Y8-M12 WeakPolarHBondContact O-CG 3.11Å; Y8-M12 PolarHBondContact O-N 2.83Å
9K87.5Confident80.3Confident151 Ų15198.3 Ų98.366%0.65751%0.506SS*.Hα-helixtrans-62.5-41.8176.1-169.9175.4-177.9178.80112.2D5 Y7 T13D5-K9 WeakPolarHBondContact O-CB 3.18Å; D5-K9 PolarHBondContact O-N 2.91Å; Y7-K9 VanDerWaalsContact C-N 3.3Å; Y7-K9 PolarHBondContact O-N 3.29Å; K9-T13 WeakPolarHBondContact O-CB 3.46Å; K9-T13 PolarHBondContact O-N 3.21Å; K9-T13 PolarHBondContact O-OG1 3.21Å
10K88.3Confident80.3Confident84 Ų84103.9 Ų103.937%0.36553%0.526SS..Hα-helixtrans-64.5-45.1176.9-164.5174.7173.3-173.30111.1P6 Y7 Y8 T13 L14 V29 E32P6-K10 WeakPolarHBondContact O-CB 3.27Å; P6-K10 PolarHBondContact O-N 3.08Å; Y7-K10 PolarHBondContact O-N 2.93Å; Y7-K10 VanDerWaalsContact O-N 3.15Å; Y8-K10 PolarHBondContact O-N 3.15Å; K10-T13 PolarHBondContact O-N 3.46Å; K10-L14 HydrophobicContact CG-CD1 4.2Å; K10-L14 WeakPolarHBondContact O-CB 3.42Å; K10-L14 WeakPolarHBondContact O-CG 3.33Å; K10-L14 PolarHBondContact O-N 3.11Å; K10-V29 HydrophobicContact CB-CG2 4.48Å; K10-V29 HydrophobicContact CD-CG1 4.49Å; K10-V29 HydrophobicContact CD-CG2 3.54Å; K10-V29 VanDerWaalsContact CE-CG2 3.44Å; K10-V29 HydrophobicContact CG-CG2 3.74Å; K10-E32 IonicContact NZ-OE1 2.87Å; K10-E32 PolarHBondContact NZ-OE1 2.72Å; K10-E32 IonicContact NZ-OE2 2.71Å; K10-E32 PolarHBondContact NZ-OE2 3.27Å
11L87.1Confident80.4Confident47 Ų47104 Ų10425%0.24653%0.528CS..Hα-helixtrans-59.6-49.7174.9-70.6172000111.5Y7 Y8 T13 L14 V15 L26 V29Y7-L11 WeakPolarHBondContact O-CB 3.45Å; Y7-L11 VanDerWaalsContact O-CG 3.26Å; Y7-L11 WeakPolarHBondContact O-CG 3.4Å; Y7-L11 PolarHBondContact O-N 3.24Å; Y8-L11 PolarHBondContact O-N 3.46Å; L11-T13 VanDerWaalsContact C-N 3.3Å; L11-T13 PolarHBondContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 3.49Å; L11-V15 WeakPolarHBondContact O-CB 3.49Å; L11-V15 VanDerWaalsContact O-CG2 3.26Å; L11-V15 WeakPolarHBondContact O-CG2 3.02Å; L11-V15 PolarHBondContact O-N 3.27Å; L11-L26 HydrophobicContact CD2-CD1 3.45Å; L11-L26 VanDerWaalsContact CD2-CD1 3.45Å; L11-V29 HydrophobicContact CD2-CB 3.99Å; L11-V29 HydrophobicContact CD2-CG1 3.59Å; L11-V29 HydrophobicContact CG-CG1 3.81Å
12M85.8Confident82.2Confident64 Ų6493.8 Ų93.832%0.31548%0.48SS..Hα-helixtrans-63.9-36.7179.5-68.7-56.697.800112.1Y8 Q16Y8-M12 HydrophobicContact CD1-CG 4.08Å; Y8-M12 HydrophobicContact CD2-CG 4.35Å; Y8-M12 HydrophobicContact CE1-CG 3.67Å; Y8-M12 HydrophobicContact CE2-CE 4.06Å; Y8-M12 HydrophobicContact CE2-CG 3.97Å; Y8-M12 HydrophobicContact CE2-SD 4.08Å; Y8-M12 HydrophobicContact CG-CG 4.41Å; Y8-M12 WeakPolarHBondContact O-CB 3.34Å; Y8-M12 VanDerWaalsContact O-CG 3.29Å; Y8-M12 WeakPolarHBondContact O-CG 3.11Å; Y8-M12 PolarHBondContact O-N 2.83Å; M12-Q16 WeakPolarHBondContact O-CB 3.19Å; M12-Q16 WeakPolarHBondContact O-CG 3.15Å; M12-Q16 PolarHBondContact O-N 3.11Å; M12-Q16 VanDerWaalsContact O-N 3.09Å
13T89.2Confident83.3Confident84 Ų8492.3 Ų92.352%0.51548%0.476SS..Hα-helixtrans-65.7-42.2175.7-54.40000111.3K9 K10 L11 Q16 S17K9-T13 WeakPolarHBondContact O-CB 3.46Å; K9-T13 PolarHBondContact O-N 3.21Å; K9-T13 PolarHBondContact O-OG1 3.21Å; K10-T13 PolarHBondContact O-N 3.46Å; L11-T13 VanDerWaalsContact C-N 3.3Å; L11-T13 PolarHBondContact O-N 3.08Å; T13-Q16 PolarHBondContact O-N 2.71Å; T13-S17 WeakPolarHBondContact O-CB 3.48Å; T13-S17 PolarHBondContact O-N 2.92Å
14L88.5Confident84.4Confident22 Ų2292.7 Ų92.712%0.11549%0.487CS..Hα-helixtrans-68.8-37.7177.9-82.9159.9000113.1K10 L11 Q16 S17 D25 V29K10-L14 HydrophobicContact CG-CD1 4.2Å; K10-L14 WeakPolarHBondContact O-CB 3.42Å; K10-L14 WeakPolarHBondContact O-CG 3.33Å; K10-L14 PolarHBondContact O-N 3.11Å; L11-L14 PolarHBondContact O-N 3.49Å; L14-Q16 VanDerWaalsContact C-N 3.27Å; L14-Q16 PolarHBondContact O-N 2.79Å; L14-S17 PolarHBondContact O-N 3.03Å; L14-S17 PolarHBondContact O-OG 2.97Å; L14-S17 VanDerWaalsContact O-OG 3.06Å; L14-D25 HydrophobicContact CD1-CB 4.24Å; L14-D25 HydrophobicContact CD2-CB 3.43Å; L14-D25 VanDerWaalsContact CD2-CB 3.43Å; L14-D25 HydrophobicContact CG-CB 4.49Å; L14-V29 HydrophobicContact CD1-CG2 3.58Å
15V86.6Confident85.1Confident101 Ų10192.9 Ų92.961%0.61248%0.478SS*.Hα-helixtrans-68.5-31.5176.3171.20000111.1L11L11-V15 WeakPolarHBondContact O-CB 3.49Å; L11-V15 VanDerWaalsContact O-CG2 3.26Å; L11-V15 WeakPolarHBondContact O-CG2 3.02Å; L11-V15 PolarHBondContact O-N 3.27Å
16Q86.7Confident85.6Confident161 Ų16190.5 Ų90.575%0.75247%0.465SS*.Hα-helixtrans-84.6-17.8176.8-69.3175.612.700113.2M12 T13 L14 N18M12-Q16 WeakPolarHBondContact O-CB 3.19Å; M12-Q16 WeakPolarHBondContact O-CG 3.15Å; M12-Q16 PolarHBondContact O-N 3.11Å; M12-Q16 VanDerWaalsContact O-N 3.09Å; T13-Q16 PolarHBondContact O-N 2.71Å; L14-Q16 VanDerWaalsContact C-N 3.27Å; L14-Q16 PolarHBondContact O-N 2.79Å; Q16-N18 PolarHBondContact O-N 3.05Å
17S84.9Confident85.8Confident35 Ų3594.3 Ų94.325%0.24547%0.469CS..  trans-77.5125.4178.173.60000110.1T13 L14 E19T13-S17 WeakPolarHBondContact O-CB 3.48Å; T13-S17 PolarHBondContact O-N 2.92Å; L14-S17 PolarHBondContact O-N 3.03Å; L14-S17 PolarHBondContact O-OG 2.97Å; L14-S17 VanDerWaalsContact O-OG 3.06Å; S17-E19 PolarHBondContact O-N 2.83Å
18N81.1Confident86.1Confident172 Ų17297.5 Ų97.592%0.9248%0.484SS*.  trans-83.740.2175.4-165.74.8000110.9Q16Q16-N18 PolarHBondContact O-N 3.05Å
19E82.8Confident86.4Confident120 Ų12090.5 Ų90.556%0.56146%0.457SS*.  trans-89.5136.2-177.8-69.5-169.5175.500110.3S17 N21 A22S17-E19 PolarHBondContact O-N 2.83Å; E19-N21 PolarHBondContact O-N 3.18Å; E19-A22 HydrophobicContact CB-CB 4.45Å; E19-A22 VanDerWaalsContact O-CB 3.23Å; E19-A22 WeakPolarHBondContact O-CB 3.15Å; E19-A22 PolarHBondContact O-N 3.47Å
20K79.1Confident86.4Confident210 Ų21086 Ų8691%0.91344%0.442SS*.THydrogen-bonded Turntrans-61.4-17.8177.9-62.9178-177.2175.30112.9
21N82.3Confident86.5Confident108 Ų10887 Ų8758%0.57845%0.451SS*.THydrogen-bonded Turntrans-100.2-0.6179.3-61.1-31000113.3E19 T23 A24 D25E19-N21 PolarHBondContact O-N 3.18Å; N21-T23 PolarHBondContact O-N 3.48Å; N21-T23 VanDerWaalsContact O-N 3.12Å; N21-A24 WeakPolarHBondContact O-CB 3.42Å; N21-A24 PolarHBondContact O-N 3.06Å; N21-D25 PolarHBondContact O-N 3.11Å; N21-D25 VanDerWaalsContact O-N 3.07Å
22A84.3Confident86.6Confident15 Ų1588.6 Ų88.612%0.12446%0.457CS..Hα-helixtrans-54.9-37.1-175.700000112.3E19 D25 L26E19-A22 HydrophobicContact CB-CB 4.45Å; E19-A22 VanDerWaalsContact O-CB 3.23Å; E19-A22 WeakPolarHBondContact O-CB 3.15Å; E19-A22 PolarHBondContact O-N 3.47Å; A22-D25 PolarHBondContact O-N 3.37Å; A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.33Å; A22-L26 PolarHBondContact O-N 3.41Å
23T85.6Confident86.6Confident92 Ų9286.6 Ų86.656%0.56445%0.449SS*.Hα-helixtrans-63.4-43.7175.7-47.20000112.4N21 D25 L26 W27N21-T23 PolarHBondContact O-N 3.48Å; N21-T23 VanDerWaalsContact O-N 3.12Å; T23-D25 VanDerWaalsContact C-N 3.34Å; T23-L26 WeakPolarHBondContact O-CB 3.46Å; T23-L26 PolarHBondContact O-N 3.27Å; T23-W27 PolarHBondContact O-N 3.24Å; T23-W27 VanDerWaalsContact O-N 3.09Å
24A87.3Confident86.4Confident54 Ų5483.8 Ų83.845%0.44643%0.434SS..Hα-helixtrans-66.8-39.4179.900000111.1N21 W27 K28N21-A24 WeakPolarHBondContact O-CB 3.42Å; N21-A24 PolarHBondContact O-N 3.06Å; A24-W27 PolarHBondContact O-N 2.94Å; A24-K28 PolarHBondContact O-N 3.42Å
25D88.9Confident86.3Confident47 Ų4784.8 Ų84.825%0.25145%0.446SS..Hα-helixtrans-73-30.7176.4-68.6-30.1000112.2L14 N21 A22 T23 K28 V29L14-D25 HydrophobicContact CD1-CB 4.24Å; L14-D25 HydrophobicContact CD2-CB 3.43Å; L14-D25 VanDerWaalsContact CD2-CB 3.43Å; L14-D25 HydrophobicContact CG-CB 4.49Å; N21-D25 PolarHBondContact O-N 3.11Å; N21-D25 VanDerWaalsContact O-N 3.07Å; A22-D25 PolarHBondContact O-N 3.37Å; T23-D25 VanDerWaalsContact C-N 3.34Å; D25-K28 WeakPolarHBondContact O-CB 3.44Å; D25-K28 PolarHBondContact O-N 3.48Å; D25-K28 IonicContact OD1-NZ 2.78Å; D25-K28 PolarHBondContact OD1-NZ 3.25Å; D25-V29 WeakPolarHBondContact O-CG2 3.24Å; D25-V29 PolarHBondContact O-N 3.23Å; D25-V29 VanDerWaalsContact O-N 3.08Å
26L89.8Confident86.3Confident58 Ų5882.6 Ų82.630%0.30443%0.428SS..Hα-helixtrans-60.2-46.4170.9-171.574.3000111.2L11 A22 T23 K28 V29 V30L11-L26 HydrophobicContact CD2-CD1 3.45Å; L11-L26 VanDerWaalsContact CD2-CD1 3.45Å; A22-L26 VanDerWaalsContact O-CB 3.26Å; A22-L26 WeakPolarHBondContact O-CB 3.33Å; A22-L26 PolarHBondContact O-N 3.41Å; T23-L26 WeakPolarHBondContact O-CB 3.46Å; T23-L26 PolarHBondContact O-N 3.27Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 3.3Å; L26-V29 PolarHBondContact O-N 2.78Å; L26-V29 VanDerWaalsContact O-N 3.12Å; L26-V30 WeakPolarHBondContact O-CG2 3.27Å; L26-V30 PolarHBondContact O-N 3.02Å
27W88.1Confident86.1Confident161 Ų16178.5 Ų78.561%0.6141%0.406SS*.Hα-helixtrans-59.9-40.7175.5-75.5112.7000112.1T23 A24 V29 V30 D31T23-W27 PolarHBondContact O-N 3.24Å; T23-W27 VanDerWaalsContact O-N 3.09Å; A24-W27 PolarHBondContact O-N 2.94Å; W27-V29 VanDerWaalsContact C-N 3.3Å; W27-V29 PolarHBondContact O-N 2.81Å; W27-V30 WeakPolarHBondContact O-CB 3.46Å; W27-V30 PolarHBondContact O-N 2.86Å; W27-V30 VanDerWaalsContact O-N 3.15Å; W27-D31 PolarHBondContact O-N 3.28Å
28K90.9Very high86.1Confident114 Ų11484.4 Ų84.450%0.49643%0.43SS..Hα-helixtrans-60.1-39.8174-67.5175.3-169.11580112.5A24 D25 L26 V30 D31 E32A24-K28 PolarHBondContact O-N 3.42Å; D25-K28 WeakPolarHBondContact O-CB 3.44Å; D25-K28 PolarHBondContact O-N 3.48Å; D25-K28 IonicContact OD1-NZ 2.78Å; D25-K28 PolarHBondContact OD1-NZ 3.25Å; L26-K28 VanDerWaalsContact C-N 3.31Å; L26-K28 PolarHBondContact O-N 3.3Å; K28-V30 VanDerWaalsContact C-N 3.33Å; K28-D31 PolarHBondContact O-N 3.49Å; K28-E32 WeakPolarHBondContact O-CB 3.45Å; K28-E32 VanDerWaalsContact O-CG 3.28Å; K28-E32 WeakPolarHBondContact O-CG 3.13Å; K28-E32 PolarHBondContact O-N 2.9Å
29V90.1Very high86.3Confident1 Ų184.1 Ų84.11%0.00642%0.423CS..Hα-helixtrans-65-40.6176.5-178.60000111Y7 K10 L11 L14 D25 L26 W27 E32 V33Y7-V29 HydrophobicContact CD1-CG1 4.03Å; K10-V29 HydrophobicContact CB-CG2 4.48Å; K10-V29 HydrophobicContact CD-CG1 4.49Å; K10-V29 HydrophobicContact CD-CG2 3.54Å; K10-V29 VanDerWaalsContact CE-CG2 3.44Å; K10-V29 HydrophobicContact CG-CG2 3.74Å; L11-V29 HydrophobicContact CD2-CB 3.99Å; L11-V29 HydrophobicContact CD2-CG1 3.59Å; L11-V29 HydrophobicContact CG-CG1 3.81Å; L14-V29 HydrophobicContact CD1-CG2 3.58Å; D25-V29 WeakPolarHBondContact O-CG2 3.24Å; D25-V29 PolarHBondContact O-N 3.23Å; D25-V29 VanDerWaalsContact O-N 3.08Å; L26-V29 PolarHBondContact O-N 2.78Å; L26-V29 VanDerWaalsContact O-N 3.12Å; W27-V29 VanDerWaalsContact C-N 3.3Å; W27-V29 PolarHBondContact O-N 2.81Å; V29-E32 PolarHBondContact O-N 3.49Å; V29-V33 VanDerWaalsContact O-CG2 3.28Å; V29-V33 WeakPolarHBondContact O-CG2 3.26Å; V29-V33 PolarHBondContact O-N 3.06Å
30V87.9Confident86.2Confident57 Ų5782.2 Ų82.235%0.34542%0.417SS..Hα-helixtrans-61.5-44.3174.8174.80000111L26 W27 K28 V33 A34L26-V30 WeakPolarHBondContact O-CG2 3.27Å; L26-V30 PolarHBondContact O-N 3.02Å; W27-V30 WeakPolarHBondContact O-CB 3.46Å; W27-V30 PolarHBondContact O-N 2.86Å; W27-V30 VanDerWaalsContact O-N 3.15Å; K28-V30 VanDerWaalsContact C-N 3.33Å; V30-V33 PolarHBondContact O-N 3.45Å; V30-A34 WeakPolarHBondContact O-CB 3.29Å; V30-A34 PolarHBondContact O-N 3.06Å
31D89.8Confident86Confident104 Ų10474.9 Ų74.956%0.55640%0.401SS*.Hα-helixtrans-64.3-41.3177.4-71.1-21.8000112.1W27 K28 V33 A34 A35W27-D31 PolarHBondContact O-N 3.28Å; K28-D31 PolarHBondContact O-N 3.49Å; D31-V33 VanDerWaalsContact C-N 3.33Å; D31-V33 PolarHBondContact O-N 2.99Å; D31-A34 PolarHBondContact O-N 3.48Å; D31-A35 WeakPolarHBondContact O-CB 3.43Å; D31-A35 PolarHBondContact O-N 2.81Å
32E88.6Confident85.3Confident80 Ų8075.8 Ų75.837%0.37440%0.4SS..Hα-helixtrans-62.3-40175-73.8170.3-168.600111.8Y7 K10 K28 V29 F36Y7-E32 HydrophobicContact CE1-CB 3.87Å; K10-E32 IonicContact NZ-OE1 2.87Å; K10-E32 PolarHBondContact NZ-OE1 2.72Å; K10-E32 IonicContact NZ-OE2 2.71Å; K10-E32 PolarHBondContact NZ-OE2 3.27Å; K28-E32 WeakPolarHBondContact O-CB 3.45Å; K28-E32 VanDerWaalsContact O-CG 3.28Å; K28-E32 WeakPolarHBondContact O-CG 3.13Å; K28-E32 PolarHBondContact O-N 2.9Å; V29-E32 PolarHBondContact O-N 3.49Å; E32-F36 PolarHBondContact O-N 3.2Å
33V86.6Confident84.3Confident22 Ų2281.6 Ų81.613%0.13343%0.434CS..Hα-helixtrans-64-50.9174.8172.90000109.6F3 Y7 V29 V30 D31 A35 F36 Y37F3-V33 HydrophobicContact CE1-CG1 4.46Å; Y7-V33 HydrophobicContact CD1-CG2 3.22Å; Y7-V33 HydrophobicContact CD2-CG2 4.48Å; Y7-V33 HydrophobicContact CE1-CG2 3.68Å; Y7-V33 HydrophobicContact CG-CG2 3.65Å; V29-V33 VanDerWaalsContact O-CG2 3.28Å; V29-V33 WeakPolarHBondContact O-CG2 3.26Å; V29-V33 PolarHBondContact O-N 3.06Å; V30-V33 PolarHBondContact O-N 3.45Å; D31-V33 VanDerWaalsContact C-N 3.33Å; D31-V33 PolarHBondContact O-N 2.99Å; V33-A35 VanDerWaalsContact C-N 3.29Å; V33-A35 PolarHBondContact O-N 2.83Å; V33-F36 WeakPolarHBondContact O-CB 3.37Å; V33-F36 PolarHBondContact O-N 3.27Å; V33-F36 VanDerWaalsContact O-N 3.08Å; V33-Y37 HydrophobicContact CG1-CD2 3.64Å; V33-Y37 HydrophobicContact CG1-CE2 3.49Å; V33-Y37 VanDerWaalsContact CG1-CE2 3.49Å; V33-Y37 VanDerWaalsContact O-CD2 3.24Å; V33-Y37 WeakPolarHBondContact O-CD2 3.48Å; V33-Y37 PolarHBondContact O-N 3.03Å
34A85.3Confident82.9Confident26 Ų2685.4 Ų85.422%0.21545%0.445CS..Hα-helixtrans-57-42.8178.900000112.2V30 D31 F36 Y37 Q38 Y45V30-A34 WeakPolarHBondContact O-CB 3.29Å; V30-A34 PolarHBondContact O-N 3.06Å; D31-A34 PolarHBondContact O-N 3.48Å; A34-F36 PolarHBondContact O-N 2.99Å; A34-Y37 PolarHBondContact O-N 3.37Å; A34-Q38 WeakPolarHBondContact O-CG 3.28Å; A34-Q38 PolarHBondContact O-N 3.37Å; A34-Q38 VanDerWaalsContact O-N 3.08Å; A34-Y45 HydrophobicContact CB-CE2 4.46Å
35A86.7Confident81.4Confident43 Ų4388 Ų8836%0.35544%0.444SS..Hα-helixtrans-63.3-39176.300000112.5D31 V33 Q38 Q39D31-A35 WeakPolarHBondContact O-CB 3.43Å; D31-A35 PolarHBondContact O-N 2.81Å; V33-A35 VanDerWaalsContact C-N 3.29Å; V33-A35 PolarHBondContact O-N 2.83Å; A35-Q38 PolarHBondContact O-N 3.08Å; A35-Q39 WeakPolarHBondContact O-CG 3.28Å; A35-Q39 PolarHBondContact O-N 3.35Å
36F85.9Confident79.6Confident55 Ų5597 Ų9724%0.24148%0.475CS..Hα-helixtrans-64-44175.1178.5-88.9000112.2F3 E32 V33 A34 Q38 Q39 N40F3-F36 HydrophobicContact CB-CE1 4.29Å; F3-F36 HydrophobicContact CB-CZ 4.33Å; F3-F36 AromaticContact CD1-CD1 3.85Å; F3-F36 HydrophobicContact CD1-CD1 3.85Å; F3-F36 AromaticContact CD1-CE1 3.65Å; F3-F36 HydrophobicContact CD1-CE1 3.65Å; F3-F36 HydrophobicContact CD1-CZ 4.37Å; F3-F36 AromaticContact CD2-CD1 3.58Å; F3-F36 HydrophobicContact CD2-CD1 3.58Å; F3-F36 AromaticContact CD2-CD2 3.8Å; F3-F36 HydrophobicContact CD2-CD2 3.8Å; F3-F36 AromaticContact CD2-CE1 3.17Å; F3-F36 HydrophobicContact CD2-CE1 3.17Å; F3-F36 AromaticContact CD2-CE2 3.41Å; F3-F36 HydrophobicContact CD2-CE2 3.41Å; F3-F36 VanDerWaalsContact CD2-CE2 3.41Å; F3-F36 AromaticContact CD2-CG 3.86Å; F3-F36 HydrophobicContact CD2-CG 3.86Å; F3-F36 AromaticContact CD2-CZ 3.06Å; F3-F36 HydrophobicContact CD2-CZ 3.06Å; F3-F36 HydrophobicContact CE1-CB 4.42Å; F3-F36 AromaticContact CE1-CD1 3.38Å; F3-F36 HydrophobicContact CE1-CD1 3.38Å; F3-F36 AromaticContact CE1-CE1 3.72Å; F3-F36 HydrophobicContact CE1-CE1 3.72Å; F3-F36 HydrophobicContact CE1-CG 4Å; F3-F36 HydrophobicContact CE2-CB 3.72Å; F3-F36 AromaticContact CE2-CD1 3.06Å; F3-F36 HydrophobicContact CE2-CD1 3.06Å; F3-F36 AromaticContact CE2-CD2 3.13Å; F3-F36 HydrophobicContact CE2-CD2 3.13Å; F3-F36 AromaticContact CE2-CE1 3.23Å; F3-F36 HydrophobicContact CE2-CE1 3.23Å; F3-F36 AromaticContact CE2-CE2 3.29Å; F3-F36 HydrophobicContact CE2-CE2 3.29Å; F3-F36 AromaticContact CE2-CG 2.99Å; F3-F36 HydrophobicContact CE2-CG 2.99Å; F3-F36 AromaticContact CE2-CZ 3.33Å; F3-F36 HydrophobicContact CE2-CZ 3.33Å; F3-F36 AromaticContact CG-CD1 3.95Å; F3-F36 HydrophobicContact CG-CD1 3.95Å; F3-F36 AromaticContact CG-CE1 3.4Å; F3-F36 HydrophobicContact CG-CE1 3.4Å; F3-F36 HydrophobicContact CG-CE2 4.41Å; F3-F36 AromaticContact CG-CZ 3.66Å; F3-F36 HydrophobicContact CG-CZ 3.66Å; F3-F36 HydrophobicContact CZ-CB 3.43Å; F3-F36 VanDerWaalsContact CZ-CB 3.43Å; F3-F36 AromaticContact CZ-CD1 2.98Å; F3-F36 HydrophobicContact CZ-CD1 2.98Å; F3-F36 AromaticContact CZ-CD2 3.8Å; F3-F36 HydrophobicContact CZ-CD2 3.8Å; F3-F36 AromaticContact CZ-CE1 3.54Å; F3-F36 HydrophobicContact CZ-CE1 3.54Å; F3-F36 HydrophobicContact CZ-CE2 4.25Å; F3-F36 AromaticContact CZ-CG 3.11Å; F3-F36 HydrophobicContact CZ-CG 3.11Å; F3-F36 HydrophobicContact CZ-CZ 4.12Å; E32-F36 PolarHBondContact O-N 3.2Å; V33-F36 WeakPolarHBondContact O-CB 3.37Å; V33-F36 PolarHBondContact O-N 3.27Å; V33-F36 VanDerWaalsContact O-N 3.08Å; A34-F36 PolarHBondContact O-N 2.99Å; F36-Q38 VanDerWaalsContact C-N 3.27Å; F36-Q38 PolarHBondContact O-N 3.32Å; F36-Q39 PolarHBondContact O-N 2.85Å; F36-N40 HydrophobicContact CE1-CB 4.22Å; F36-N40 WeakPolarHBondContact CZ-ND2 3.43Å; F36-N40 WeakPolarHBondContact O-CB 3.48Å; F36-N40 PolarHBondContact O-N 2.69Å; F36-N40 PolarHBondContact O-OD1 3.15Å
37Y83.1Confident77.9Confident75 Ų7598 Ų9829%0.29448%0.483SS..Hα-helixtrans-59.7-40.1176.9-84.5-84.5000111.5F3 V33 A34 G41 F42 Y45F3-Y37 HydrophobicContact CE1-CD2 4.43Å; F3-Y37 AromaticContact CE1-CE2 3.88Å; F3-Y37 HydrophobicContact CE1-CE2 3.88Å; V33-Y37 HydrophobicContact CG1-CD2 3.64Å; V33-Y37 HydrophobicContact CG1-CE2 3.49Å; V33-Y37 VanDerWaalsContact CG1-CE2 3.49Å; V33-Y37 VanDerWaalsContact O-CD2 3.24Å; V33-Y37 WeakPolarHBondContact O-CD2 3.48Å; V33-Y37 PolarHBondContact O-N 3.03Å; A34-Y37 PolarHBondContact O-N 3.37Å; Y37-G41 PolarHBondContact O-N 2.96Å; Y37-F42 HydrophobicContact CD1-CB 3.49Å; Y37-F42 VanDerWaalsContact CD1-CB 3.49Å; Y37-F42 HydrophobicContact CD1-CG 4.35Å; Y37-F42 HydrophobicContact CE1-CB 4.12Å; Y37-F42 HydrophobicContact CG-CB 4.49Å; Y37-F42 PolarHBondContact O-N 2.81Å; Y37-Y45 HydrophobicContact CD2-CD2 4.41Å; Y37-Y45 AromaticContact CD2-CE2 3.76Å; Y37-Y45 HydrophobicContact CD2-CE2 3.76Å; Y37-Y45 HydrophobicContact CE2-CE2 4.4Å; Y37-Y45 HydrophobicContact CG-CD2 4.23Å; Y37-Y45 HydrophobicContact CG-CE2 4Å
38Q84.2Confident76Confident158 Ų15893.9 Ų93.974%0.73848%0.479SS*.Hα-helixtrans-64.8-42.3174.9-69.8176.11500112.9A34 A35 F36 G41A34-Q38 WeakPolarHBondContact O-CG 3.28Å; A34-Q38 PolarHBondContact O-N 3.37Å; A34-Q38 VanDerWaalsContact O-N 3.08Å; A35-Q38 PolarHBondContact O-N 3.08Å; F36-Q38 VanDerWaalsContact C-N 3.27Å; F36-Q38 PolarHBondContact O-N 3.32Å; Q38-G41 PolarHBondContact O-N 3.38Å
39Q84.5Confident74.2Confident166 Ų16694.4 Ų94.478%0.77649%0.494SS*.Hα-helixtrans-68.4-36.9178.5-75-1708.900112.8A35 F36 G41A35-Q39 WeakPolarHBondContact O-CG 3.28Å; A35-Q39 PolarHBondContact O-N 3.35Å; F36-Q39 PolarHBondContact O-N 2.85Å; Q39-G41 VanDerWaalsContact C-N 3.26Å; Q39-G41 PolarHBondContact O-N 3.45Å
40N81.5Confident72.3Confident80 Ų8098.7 Ų98.743%0.42853%0.529SS..THydrogen-bonded Turntrans-86.34-176.9-72.549.4000113.2F36 F42F36-N40 HydrophobicContact CE1-CB 4.22Å; F36-N40 WeakPolarHBondContact CZ-ND2 3.43Å; F36-N40 WeakPolarHBondContact O-CB 3.48Å; F36-N40 PolarHBondContact O-N 2.69Å; F36-N40 PolarHBondContact O-OD1 3.15Å; N40-F42 HydrophobicContact CB-CD2 3.7Å; N40-F42 HydrophobicContact CB-CE2 4.13Å; N40-F42 PolarHBondContact O-N 2.73Å
41G73.7Confident70.6Confident56 Ų56102.9 Ų102.958%0.57755%0.545SS*.THydrogen-bonded Turntrans68.817.4177.800000114Y37 Q38 Q39 T43Y37-G41 PolarHBondContact O-N 2.96Å; Q38-G41 PolarHBondContact O-N 3.38Å; Q39-G41 VanDerWaalsContact C-N 3.26Å; Q39-G41 PolarHBondContact O-N 3.45Å; G41-T43 PolarHBondContact O-N 2.71Å
42F68.7Low68.8Low127 Ų127103.7 Ų103.756%0.55755%0.55SS*.  trans-86.991173.6-74.5-79.5000108.5Y37 N40 E44Y37-F42 HydrophobicContact CD1-CB 3.49Å; Y37-F42 VanDerWaalsContact CD1-CB 3.49Å; Y37-F42 HydrophobicContact CD1-CG 4.35Å; Y37-F42 HydrophobicContact CE1-CB 4.12Å; Y37-F42 HydrophobicContact CG-CB 4.49Å; Y37-F42 PolarHBondContact O-N 2.81Å; N40-F42 HydrophobicContact CB-CD2 3.7Å; N40-F42 HydrophobicContact CB-CE2 4.13Å; N40-F42 PolarHBondContact O-N 2.73Å; F42-E44 VanDerWaalsContact C-N 3.29Å
43T62.2Low67.1Low138 Ų138107.3 Ų107.385%0.84757%0.571SS**  trans-82.2-4.6176.449.40000113.6G41 Y45G41-T43 PolarHBondContact O-N 2.71Å; T43-Y45 PolarHBondContact O-N 2.87Å
44E57.3Low65.5Low171 Ų171114.7 Ų114.780%0.79961%0.607SS**  trans-80.675.5168.9-89.7-177.8155.900109.9F42F42-E44 VanDerWaalsContact C-N 3.29Å
45Y56.4Low63.6Low108 Ų108120.7 Ų120.742%0.42464%0.635SS.*  trans-71.3131.3147.8-122.2-105.8000106.3A34 Y37 T43 V47A34-Y45 HydrophobicContact CB-CE2 4.46Å; Y37-Y45 HydrophobicContact CD2-CD2 4.41Å; Y37-Y45 AromaticContact CD2-CE2 3.76Å; Y37-Y45 HydrophobicContact CD2-CE2 3.76Å; Y37-Y45 HydrophobicContact CE2-CE2 4.4Å; Y37-Y45 HydrophobicContact CG-CD2 4.23Å; Y37-Y45 HydrophobicContact CG-CE2 4Å; T43-Y45 PolarHBondContact O-N 2.87Å; Y45-V47 PolarHBondContact O-N 2.9Å
46W49.5Very low61.7Low237 Ų237124.9 Ų124.990%0.89866%0.657SS**  trans-62.485.1160.6-86.985000107.2S48W46-S48 PolarHBondContact O-N 3.34Å
47V55.3Low59.6Low79 Ų79131.9 Ų131.948%0.47969%0.687SS.*  trans-67.1118.7159.3-1770000103.8Y45 E51Y45-V47 PolarHBondContact O-N 2.9Å; V47-E51 HydrophobicContact CG1-CG 4.2Å
48S48.6Very low57.6Low75 Ų75137.3 Ų137.352%0.52472%0.715SS.*  trans-51.5140.3172.2-78.30000108.1W46 A50W46-S48 PolarHBondContact O-N 3.34Å; S48-A50 PolarHBondContact O-N 3.08Å
49P51.7Low55.2Low125 Ų125133.4 Ų133.481%0.81272%0.718SS**THydrogen-bonded Turntrans-63.821.6178.4-18.830.4000115
50A50.3Low53.1Low90 Ų90131.6 Ų131.674%0.74472%0.718SS**THydrogen-bonded Turntrans-109.61.9-168.200000114.3S48S48-A50 PolarHBondContact O-N 3.08Å
51E53.2Low51.1Low145 Ų145132.3 Ų132.368%0.67874%0.735SS**SBendtrans-139.78.7-178.456.7-169.5110.800117.2V47 D53V47-E51 HydrophobicContact CG1-CG 4.2Å; E51-D53 PolarHBondContact O-N 3.32Å; E51-D53 VanDerWaalsContact O-N 3.16Å
52D51.6Low49.6Very low122 Ų122141.4 Ų141.465%0.65275%0.752SS**THydrogen-bonded Turntrans-76.39.1176.3-92.9-61.6000115.7
53D52.2Low48.4Very low155 Ų155144.5 Ų144.583%0.82977%0.765SS**THydrogen-bonded Turntrans-101.45.4-179.6-87.8-50.9000115.2E51E51-D53 PolarHBondContact O-N 3.32Å; E51-D53 VanDerWaalsContact O-N 3.16Å
54M54.2Low47.4Very low178 Ų178146.7 Ų146.788%0.87777%0.766SS**SBendtrans-1347.1-173.6-79.4-84.2102.200117.4
55N45.5Very low46.8Very low151 Ų151147.1 Ų147.181%0.80777%0.768SS**SBendtrans-13617.6-178-137.514.4000117.9
56T46.2Very low46.8Very low132 Ų132151.1 Ų151.181%0.8179%0.788SS**  trans-105.561168.4-52.70000110.4
57F40.7Very low46.3Very low202 Ų202145.3 Ų145.389%0.88678%0.78SS**  trans-151.557.1166.6-144.3-93.3000111.7
58Q41.3Very low45.7Very low188 Ų188151 Ų15188%0.87980%0.799SS**SBendtrans-124.287.6153.9-78.6-162.921.400109.8
59G33.5Very low45.5Very low77 Ų77153.4 Ų153.479%0.79481%0.813SS**  62.567.2127.200000118.3
60T41.2Very low45.1Very low127 Ų127154.7 Ų154.778%0.77981%0.812SS**  trans-111.7110.6143.346.10000109.3W62T60-W62 PolarHBondContact O-N 3.03Å
61A38.8Very low45.2Very low95 Ų95158.7 Ų158.779%0.78581%0.813SS**  trans-23.8113.3166.400000115.1
62W42.6Very low44.9Very low248 Ų248160.3 Ų160.394%0.93982%0.818SS**  trans-132.4121.2149.1-78.5-30.9000110.9T60T60-W62 PolarHBondContact O-N 3.03Å
63K44.9Very low44.7Very low191 Ų191166.3 Ų166.383%0.8383%0.831SS**  trans-41.1137.1172.5-87.3171.7154.2-171.50112E65K63-E65 PolarHBondContact O-N 3.28Å
64Q41Very low44.2Very low184 Ų184163.6 Ų163.686%0.8682%0.822SS**  trans-51.1124.7151.5-85-171.3-38.600110
65E44.1Very low43.7Very low181 Ų181161.3 Ų161.385%0.84681%0.813SS**  trans-139.8129.9147.1-113.8-177.8109.800110.7K63K63-E65 PolarHBondContact O-N 3.28Å
66K55.6Low43.9Very low191 Ų191161.7 Ų161.783%0.8381%0.81SS**  trans-83.1162.2-176.1-98175.3178.2175.50111
67P40.2Very low44.1Very low115 Ų115160 Ų16075%0.74780%0.804SS**  trans-80.8150.5-161.130.9-33.8000115.3
68F42.6Very low44.4Very low200 Ų200155.1 Ų155.188%0.87780%0.8SS**  trans-21.4145.8169-74.7-94000118.2
69P44.1Very low44.8Very low124 Ų124150 Ų15081%0.80579%0.785SS**  -139.2127.3106.634.5-19.8000115.6
70L43.8Very low45.9Very low152 Ų152153.2 Ų153.280%0.79679%0.785SS**  trans13.7108.3134.2-160.282.5000119.6
71K50.9Low46.4Very low174 Ų174153.4 Ų153.476%0.75779%0.785SS**  170.4128.2121.8-100.1174.5176.4169.50114.2
72K47.4Very low46.9Very low180 Ų180152.7 Ų152.778%0.78378%0.779SS**  trans50.1101.2137.7-61.8-178.6178.1-170.50118.1
73R48.5Very low47.3Very low247 Ų247147.9 Ų147.993%0.93277%0.767SS**  93.6149.688.9-98.7-134177.3176.91113.6
74P41.8Very low47.8Very low99 Ų99149.3 Ų149.364%0.64377%0.767SS**  trans-105.1158.2-144.840.1-32.3000113.4
75D43.2Very low48.3Very low130 Ų130144.1 Ų144.170%0.69576%0.756SS**  -176.9149.3127.6-118.9-124.2000112.1
76E50.4Low48.8Very low158 Ų158141.4 Ų141.474%0.73875%0.751SS**  trans74.4111.6144-76.9176.9123.300123.6
77S50.6Low48.5Very low98 Ų98140 Ų14069%0.68575%0.748SS**  85.9117116.5-62.80000120.8
78A45.5Very low48.9Very low98 Ų98140.5 Ų140.581%0.8175%0.754SS**  trans61.2151.2137.400000118.2
79S51.1Low48.9Very low80 Ų80135 Ų13556%0.55975%0.754SS**  cis-174.5174.8-17.659.50000104
80N55.3Low48.8Very low146 Ų146134.4 Ų134.478%0.78175%0.752SS**  trans82.4147.8163.2-35.9-40.7000115.2
81V51.9Low49.1Very low131 Ų131136.7 Ų136.779%0.79476%0.759SS**  cis176.9157.5-22.6129.30000103.4
82A48.7Very low49Very low79 Ų79135 Ų13565%0.65375%0.754SS**  trans79.1139.216400000116.1
83Q52.4Low49Very low148 Ų148134.7 Ų134.769%0.69275%0.752SS**  cis-169.6146.67.4-118.5169.6-25.200108.2
84R54.2Low48.9Very low221 Ų221129.9 Ų129.983%0.83475%0.746SS**  trans50.8144.8136.1-68.8178.6-171.5-173.73.2119.8
85A51.4Low48.9Very low75 Ų75130.5 Ų130.562%0.6275%0.747SS**  cis-175.8172.21.100000109.3
86V54.6Low49.1Very low123 Ų123130 Ų13075%0.74575%0.749SS**  trans61.8140.1154.3-83.40000118.8
87E49.8Very low48.9Very low163 Ų163129 Ų12976%0.76275%0.747SS**  cis-166126.69.3-128.1155.1143.400107.3
88S49Very low49.2Very low124 Ų124131.7 Ų131.787%0.86775%0.752SS**  54.6127.7110-62.40000119.3
89G42Very low49Very low86 Ų86133.6 Ų133.689%0.88775%0.749SS**  trans163.181.515700000115.4
90S42.2Very low49.3Very low110 Ų110135.8 Ų135.877%0.76976%0.764SS**  trans-105.1138.7173.3174.40000109.8
91Q50.7Low48.8Very low201 Ų201137.7 Ų137.794%0.93977%0.768SS**  trans-160.9138.6146.2-120.3-178.5-14.300113.9
92E48.9Very low48.8Very low137 Ų137137.2 Ų137.264%0.6477%0.771SS**  trans-100.9165.3-173.4-61.1175.481.400113.7
93K47.2Very low48.8Very low174 Ų174139.1 Ų139.176%0.75778%0.779SS**  trans66.7142.4146.2-73.1154.9177.5159.60116.4
94N46.7Very low48.8Very low147 Ų147137.4 Ų137.479%0.78678%0.784SS**  cis-167.4164.433.7-160.7-9.9000110.4
95V42.3Very low48.1Very low112 Ų112132.6 Ų132.668%0.67978%0.784SS**  trans-51.5151.3176.6173.40000115.9
96T46.8Very low48.3Very low118 Ų118133.8 Ų133.872%0.72479%0.794SS**  172.7119.2120-58.80000112.1
97I46Very low47.8Very low138 Ų138135 Ų13571%0.70880%0.796SS**  trans26.1129.7130.9-40.9177.3000115.4
98I56Low47.5Very low154 Ų154135.3 Ų135.379%0.7980%0.802SS**  -172.6158.869.8-14176.1000110.1
99D41.9Very low47.3Very low139 Ų139134.1 Ų134.174%0.74379%0.794SS**  trans-44.1148-178.4-59.8-88.8000118.6
100S57.6Low47.8Very low126 Ų126139.6 Ų139.688%0.88179%0.793SS**  trans-158.8119146.4-81.70000111.7
101E44.5Very low48.2Very low186 Ų186146.6 Ų146.687%0.86980%0.803SS**  trans-73.8133.3176.7-44170.1115.700109.3
102S52.7Low48.8Very low120 Ų120146.7 Ų146.784%0.83980%0.8SS**  trans-176.3138.2143.837.60000113.4
103S48.6Very low49Very low119 Ų119151.8 Ų151.883%0.83281%0.814SS**  trans-54142.1178.650.10000117.2
104S50.8Low49.6Very low112 Ų112149.6 Ų149.678%0.78382%0.817SS**  trans-170.595.1154.9172.50000108.1
105S40.3Very low49.7Very low121 Ų121147.8 Ų147.885%0.84682%0.816SS**  53.786.990.3-174.50000115.1
106A55Low50.1Low100 Ų100151.9 Ų151.983%0.82683%0.825SS**  trans-166.2146.8156.200000107.4
107D44Very low50.3Low147 Ų147154.8 Ų154.879%0.78684%0.835SS**  cis-168.5118.2-13.6174.55.7000102S109D107-S109 PolarHBondContact O-N 2.99Å
108L44.2Very low50.2Low170 Ų170154 Ų15489%0.8984%0.841SS**  trans-83.895.6179.4-77.8164.8000108
109S45Very low49.9Very low100 Ų100153.3 Ų153.370%0.69984%0.844SS**  trans-173.6137.8154.8-96.20000113.7D107D107-S109 PolarHBondContact O-N 2.99Å
110K51.7Low50.2Low201 Ų201151 Ų15187%0.87485%0.845SS**  trans84.983.7166.7-55.7163.6-178.7174.40116.2
111R51.8Low49.5Very low257 Ų257148.5 Ų148.597%0.9784%0.839SS**  trans-145129.8131.5-115.4172-174.5-160.50.6112.5
112K62Low49.6Very low203 Ų203149.6 Ų149.688%0.88384%0.841SS**PPolyproline II helixtrans-67134.6-169.1-70.3171.8171.9-177.70111.4
113R53.7Low49.4Very low244 Ų244153 Ų15392%0.92184%0.843SS**PPolyproline II helixtrans-65.2132.5163.2-74.3178.8171173.3-3.2110.1
114P59.4Low49Very low128 Ų128149.6 Ų149.683%0.83183%0.827SS**PPolyproline II helixtrans-88145153.826.5-15.7000110.6
115S49.8Very low48.9Very low108 Ų108152.8 Ų152.876%0.75583%0.827SS**PPolyproline II helixtrans-84.2146.2-169.1-56.50000112.9
116K49.7Very low49.3Very low199 Ų199155.6 Ų155.687%0.86582%0.824SS**  trans56.293.2148.7-67.4173.1175.8175.50117.6
117L51.1Low48.9Very low179 Ų179155.8 Ų155.894%0.93782%0.819SS**  trans-126.3107.8144.9-82.7165.2000108.5
118S44.2Very low49.1Very low121 Ų121157.2 Ų157.285%0.84683%0.826SS**  trans-78.9113.8178.51740000108.9A120S118-A120 PolarHBondContact O-N 3.48Å
119V50.6Low49.1Very low139 Ų139152.6 Ų152.684%0.84282%0.82SS**  trans-72.2112.3170.2173.10000108.2
120A48.4Very low49Very low92 Ų92152.9 Ų152.976%0.7682%0.821SS**  trans-69.4135170.600000110S118S118-A120 PolarHBondContact O-N 3.48Å
121G42.5Very low48.8Very low73 Ų73150.4 Ų150.475%0.75382%0.818SS**  trans-66.1136.9-168.100000115.1Q123G121-Q123 PolarHBondContact O-N 3.39Å
122F46.3Very low48.7Very low209 Ų209144.1 Ų144.192%0.91781%0.808SS**  trans-72.9101.9164.6-152-98.2000108.4
123Q48.8Very low48.4Very low191 Ų191142.4 Ų142.489%0.89381%0.807SS**  trans-100.9109.6160.4-73.1-160.452.600108G121G121-Q123 PolarHBondContact O-N 3.39Å
124G40.9Very low48.5Very low48 Ų48135.9 Ų135.950%0.49580%0.797SS.*  trans-65.4162173.100000112.4
125K47.7Very low47.9Very low178 Ų178135 Ų13577%0.77479%0.791SS**  trans165.4113130-88.2158-172.6178.40111.1
126K49.8Very low47.8Very low181 Ų181136.7 Ų136.779%0.78780%0.797SS**  trans77.6144.9136.8-45.9157.9-169-170.20120
127S44.5Very low47.2Very low104 Ų104130.4 Ų130.473%0.72779%0.788SS**  trans84110.4156.379.50000115.3
128L48.8Very low46.9Very low176 Ų176133.6 Ų133.692%0.92179%0.788SS**  108.4113.369.1-93.1167.6000106.6
129G43.7Very low47Very low74 Ų74136.8 Ų136.876%0.76379%0.794SS**  trans175.560.5-178.400000111
130S43.3Very low46.9Very low105 Ų105132.4 Ų132.473%0.73478%0.776SS**  trans-82.2103.1169.9510000108.5
131D48.2Very low46.9Very low150 Ų150137.9 Ų137.980%0.80279%0.786SS**  trans-148.3111.3166.4-85.6-49.8000111.8
132V50.5Low47.5Very low125 Ų125140.6 Ų140.676%0.75879%0.788SS**  trans73.479141.8-164.70000117.1
133L54.8Low48Very low167 Ų167133.9 Ų133.987%0.87478%0.778SS**PPolyproline II helixtrans-91.4122.8143.5-73.5167.3000107.7
134P55.4Low48.6Very low107 Ų107129 Ų12970%0.69576%0.757SS**PPolyproline II helixtrans-70.9131.3165.428.6-28.8000108.5
135P46.3Very low50.1Low109 Ų109127.9 Ų127.971%0.70874%0.743SS**PPolyproline II helixtrans-74.8162.9176.233.6-32.2000108.8
136T47.7Very low51.6Low144 Ų144119.5 Ų119.588%0.88371%0.706SS**  trans85.1109.4158.6-10.80000116.8
137G36.9Very low53.2Low66 Ų66114.2 Ų114.268%0.6869%0.69SS**SBendtrans113.195.5139.300000116.5
138R45.9Very low55Low246 Ų246113.7 Ų113.793%0.92868%0.681SS**  trans77.466.4154.2-47.3-171.5-176.3-159.21.2116.2G140R138-G140 VanDerWaalsContact C-N 3.26Å; R138-G140 PolarHBondContact O-N 2.89Å
139I46.6Very low56.7Low189 Ų189107.8 Ų107.897%0.96965%0.654SS**  trans-7189.7156.2-60.1163.2000106.9
140G48.6Very low58.4Low46 Ų46112.8 Ų112.847%0.47466%0.655SS.*SBendtrans-157.693.3176.800000109.8R138 V142R138-G140 VanDerWaalsContact C-N 3.26Å; R138-G140 PolarHBondContact O-N 2.89Å; G140-V142 VanDerWaalsContact O-CG2 3.27Å; G140-V142 WeakPolarHBondContact O-CG2 3.35Å; G140-V142 PolarHBondContact O-N 2.87Å; G140-V142 VanDerWaalsContact O-N 3.11Å
141Q47.7Very low59.9Low207 Ų207114.6 Ų114.697%0.96765%0.65SS**SBendtrans64.95.6160-65.5-178.2-10.200120.8
142V54.5Low60.9Low130 Ų130113.6 Ų113.679%0.78864%0.644SS**  trans-111.754.1-173.1-157.90000114.1G140G140-V142 VanDerWaalsContact O-CG2 3.27Å; G140-V142 WeakPolarHBondContact O-CG2 3.35Å; G140-V142 PolarHBondContact O-N 2.87Å; G140-V142 VanDerWaalsContact O-N 3.11Å
143G57Low61.6Low69 Ų69108.9 Ų108.971%0.71162%0.621SS**SBendtrans-90.7-29.4-166.400000118.8
144I63Low62.1Low88 Ų88108 Ų10845%0.45161%0.61SS.*SBendtrans-148.611.9-173.5-41.1171.8000112L152 F154I144-L152 HydrophobicContact CB-CD2 3.55Å; I144-L152 HydrophobicContact CG2-CD2 4.38Å; I144-L152 WeakPolarHBondContact O-CD2 3.39Å; I144-F154 HydrophobicContact CG2-CZ 4.44Å
145A71Confident62.6Low25 Ų25107.1 Ų107.121%0.20760%0.603CS.*  trans-85.1137.4-173.700000111.2V147 L152A145-V147 PolarHBondContact O-N 3.23Å; A145-L152 HydrophobicContact CB-CD2 4.19Å; A145-L152 HydrophobicContact CB-CG 4.2Å
146C80.3Confident63.4Low1 Ų1110.8 Ų110.81%0.00762%0.616CS.*  trans-59.2128.5175.4167.90000111.1V148 C149 K150 K151 M169 H171C146-V148 PolarHBondContact O-N 3.39Å; C146-V148 VanDerWaalsContact O-N 3.15Å; C146-V148 PolarHBondContact SG-N 3.34Å; C146-C149 PolarHBondContact O-N 2.95Å; C146-K150 VanDerWaalsContact O-CA 3.25Å; C146-K150 WeakPolarHBondContact O-CA 3.21Å; C146-K150 PolarHBondContact O-N 3.12Å; C146-K151 PolarHBondContact N-O 3.09Å; C146-M169 CarbonylContact C-O 3.46Å; C146-M169 WeakPolarHBondContact CA-O 3.41Å; C146-H171 WeakPolarHBondContact CB-CE1 3.5Å; C146-H171 WeakPolarHBondContact CB-ND1 3.26Å; C146-H171 PolarHBondContact SG-N 3.38Å; C146-H171 PolarHBondContact SG-ND1 2.88Å
147V82.8Confident64.5Low71 Ų71106.6 Ų106.643%0.4360%0.602SS.*THydrogen-bonded Turntrans-59.4-30.7-177.2178.50000112.4A145 D168 M169 Y170A145-V147 PolarHBondContact O-N 3.23Å; V147-D168 HydrophobicContact CG2-CB 3.64Å; V147-M169 PolarHBondContact N-O 2.96Å; V147-Y170 HydrophobicContact CB-CE1 4.09Å
148V82.5Confident66.1Low92 Ų92105 Ų10556%0.55858%0.578SS**THydrogen-bonded Turntrans-72.5-48.3179.8-178.30000112C146 Y170 A174C146-V148 PolarHBondContact O-N 3.39Å; C146-V148 VanDerWaalsContact O-N 3.15Å; C146-V148 PolarHBondContact SG-N 3.34Å; V148-Y170 HydrophobicContact CG2-CD1 3.89Å; V148-Y170 HydrophobicContact CG2-CE1 4.15Å; V148-A174 HydrophobicContact CB-CB 4.22Å; V148-A174 HydrophobicContact CG1-CB 4.27Å; V148-A174 HydrophobicContact CG2-CB 4.39Å
149C83.5Confident67.6Low52 Ų5295.7 Ų95.735%0.35155%0.551SS.*THydrogen-bonded Turntrans-110.6-5.2-171.171.10000114.5C146 K151 H171C146-C149 PolarHBondContact O-N 2.95Å; C149-K151 WeakPolarHBondContact O-CG 3.39Å; C149-K151 PolarHBondContact O-N 3.08Å; C149-K151 VanDerWaalsContact O-N 3.08Å; C149-H171 PolarHBondContact SG-CE1 2.68Å; C149-H171 PolarHBondContact SG-ND1 3.33Å
150K80.7Confident69Low179 Ų17987.8 Ų87.878%0.77851%0.511SS*.  trans52.725.7-176.8-56-178.3-179.2-178.60114.1C146C146-K150 VanDerWaalsContact O-CA 3.25Å; C146-K150 WeakPolarHBondContact O-CA 3.21Å; C146-K150 PolarHBondContact O-N 3.12Å
151K73.6Confident70.6Confident143 Ų14389.7 Ų89.762%0.62251%0.509SS*.  trans-107.9140.5179.1-65.5-175.6-177.2-173.40110.1C146 C149 H171C146-K151 PolarHBondContact N-O 3.09Å; C149-K151 WeakPolarHBondContact O-CG 3.39Å; C149-K151 PolarHBondContact O-N 3.08Å; C149-K151 VanDerWaalsContact O-N 3.08Å; K151-H171 PolarHBondContact O-CE1 3.36Å
152L69.8Low72.5Confident129 Ų12984 Ų8468%0.67548%0.483SS*.  trans-88.2111.7162.6-64.5161000105.7I144 A145I144-L152 HydrophobicContact CB-CD2 3.55Å; I144-L152 HydrophobicContact CG2-CD2 4.38Å; I144-L152 WeakPolarHBondContact O-CD2 3.39Å; A145-L152 HydrophobicContact CB-CD2 4.19Å; A145-L152 HydrophobicContact CB-CG 4.2Å
153G64.3Low73.9Confident27 Ų2779.6 Ų79.628%0.27846%0.457SS..  trans-17395.2-176.200000113.9T155 H171G153-T155 PolarHBondContact O-N 3.37Å; G153-H171 PolarHBondContact O-NE2 3.44Å
154F67.3Low75.3Confident147 Ų14783.5 Ų83.565%0.64546%0.457SS*.  trans-78.5107.8165.8-56.2-86.5000108.1I144 V160I144-F154 HydrophobicContact CG2-CZ 4.44Å; F154-V160 HydrophobicContact CD1-CG2 4.45Å; F154-V160 HydrophobicContact CE1-CB 3.97Å; F154-V160 HydrophobicContact CE1-CG2 4.11Å; F154-V160 HydrophobicContact CZ-CG2 4.48Å
155T64.4Low76.3Confident90 Ų9088.1 Ų88.155%0.55248%0.477SS*.BIsolated β-bridgetrans-104.9152.7164.264.70000109.1G153 G157 N158G153-T155 PolarHBondContact O-N 3.37Å; T155-G157 PolarHBondContact O-N 3.42Å; T155-N158 CarbonylContact O-C 3.6Å; T155-N158 PolarHBondContact O-N 3.04Å; T155-N158 WeakPolarHBondContact OG1-CB 3.26Å
156N64Low77.1Confident185 Ų18589.9 Ų89.999%0.98949%0.487SS*.THydrogen-bonded Turntrans-61.7103.2-178.2-143.31.4000108.8
157G70.8Confident77.3Confident57 Ų5795.5 Ų95.559%0.58851%0.513SS*.THydrogen-bonded Turntrans100.66.4-171.800000116.5T155T155-G157 PolarHBondContact O-N 3.42Å
158N71.1Confident77.4Confident32 Ų3295.1 Ų95.117%0.17151%0.508CS..BIsolated β-bridgetrans-135.857.1172.6-159.643.2000110.2T155 H171 K173T155-N158 CarbonylContact O-C 3.6Å; T155-N158 PolarHBondContact O-N 3.04Å; T155-N158 WeakPolarHBondContact OG1-CB 3.26Å; N158-H171 PolarHBondContact ND2-CD2 3.03Å; N158-H171 PolarHBondContact O-CD2 3.06Å; N158-H171 WeakPolarHBondContact OD1-CB 3.49Å; N158-K173 WeakPolarHBondContact OD1-CB 3.46Å; N158-K173 PolarHBondContact OD1-N 2.81Å
159S75.8Confident77.4Confident50 Ų5092.4 Ų92.435%0.3549%0.49SS..  trans-66.7150.2174.352.70000110.4H171 Q172S159-H171 CarbonylContact O-C 3.6Å; S159-H171 WeakPolarHBondContact O-CA 3.46Å; S159-Q172 PolarHBondContact O-N 3.07Å; S159-Q172 PolarHBondContact OG-OE1 3.12Å
160V77.4Confident77.3Confident23 Ų2393.4 Ų93.414%0.13949%0.487CS..EExtended strand (participates in β ladder)trans-82129.6171-179.70000108.1F154 M169 Y170 H171F154-V160 HydrophobicContact CD1-CG2 4.45Å; F154-V160 HydrophobicContact CE1-CB 3.97Å; F154-V160 HydrophobicContact CE1-CG2 4.11Å; F154-V160 HydrophobicContact CZ-CG2 4.48Å; V160-M169 HydrophobicContact CG1-CB 3.45Å; V160-M169 VanDerWaalsContact CG1-CB 3.45Å; V160-M169 HydrophobicContact CG1-CG 3.84Å; V160-M169 HydrophobicContact CG1-SD 3.56Å; V160-M169 VanDerWaalsContact CG1-SD 3.56Å; V160-Y170 CarbonylContact C-O 3.6Å; V160-Y170 WeakPolarHBondContact CA-O 3.47Å; V160-H171 VanDerWaalsContact CG2-CD2 3.48Å; V160-H171 WeakPolarHBondContact CG2-CD2 3.23Å
161I82.3Confident77.4Confident86 Ų8685.4 Ų85.444%0.44145%0.452SS..EExtended strand (participates in β ladder)trans-111135.4177.1-58.2172.8000107.5M169 Y170 Q172I161-M169 CarbonylContact O-C 3.48Å; I161-Y170 PolarHBondContact N-O 3.47Å; I161-Y170 PolarHBondContact O-N 3.5Å; I161-Q172 HydrophobicContact CD1-CB 3.81Å; I161-Q172 HydrophobicContact CD1-CG 3.83Å; I161-Q172 HydrophobicContact CG1-CB 4.41Å
162E86.7Confident77.6Confident87 Ų8784.2 Ų84.241%0.40745%0.449SS..EExtended strand (participates in β ladder)trans-86.4131.2173.6-176.6167.4-179.200111Q164 H167 D168 M169E162-Q164 PolarHBondContact O-N 3.15Å; E162-H167 IonicContact OE1-CE1 3.85Å; E162-H167 IonicContact OE1-CG 3.6Å; E162-H167 IonicContact OE1-ND1 2.78Å; E162-H167 PolarHBondContact OE1-ND1 2.89Å; E162-D168 WeakPolarHBondContact CA-O 3.48Å; E162-M169 HydrophobicContact CB-CE 3.32Å; E162-M169 HydrophobicContact CB-SD 4.33Å; E162-M169 HydrophobicContact CG-CE 3.28Å
163C83.8Confident77.7Confident38 Ų3885.9 Ų85.926%0.25745%0.451SS..  trans-74.8122.4167.1-177.40000109.8E165 C166 H167 D168 Y170C163-E165 PolarHBondContact O-N 2.78Å; C163-C166 VanDerWaalsContact CB-SG 3.51Å; C163-C166 PolarHBondContact SG-SG 3.35Å; C163-H167 WeakPolarHBondContact O-CA 3.45Å; C163-H167 PolarHBondContact O-N 3.2Å; C163-D168 PolarHBondContact N-O 3.27Å; C163-Y170 HydrophobicContact CB-CD2 4.25Å; C163-Y170 HydrophobicContact CB-CE2 3.91Å
164Q86.1Confident77.6Confident152 Ų15286.1 Ų86.171%0.7145%0.45SS*.THydrogen-bonded Turntrans-70.7-10.2179.7-70.3-71.5-29.500114.1E162E162-Q164 PolarHBondContact O-N 3.15Å
165E84.5Confident77.1Confident185 Ų18587.6 Ų87.686%0.86446%0.459SS*.THydrogen-bonded Turntrans-95.4-42.2179.4-63.8-179.1-178.300112.2C163C163-E165 PolarHBondContact O-N 2.78Å
166C87Confident76.5Confident61 Ų6187.7 Ų87.741%0.41247%0.469SS..THydrogen-bonded Turntrans-112.5-1.8-176.7630000114.5C163 D168C163-C166 VanDerWaalsContact CB-SG 3.51Å; C163-C166 PolarHBondContact SG-SG 3.35Å; C166-D168 PolarHBondContact O-N 3.32Å; C166-D168 VanDerWaalsContact O-N 3.11Å; C166-D168 VanDerWaalsContact SG-CB 3.55Å; C166-D168 PolarHBondContact SG-OD2 3.35Å
167H84.3Confident75.9Confident120 Ų12084.7 Ų84.756%0.55646%0.457SS*.  trans5620.8-175.8-65.3-75.6000114.4E162 C163E162-H167 IonicContact OE1-CE1 3.85Å; E162-H167 IonicContact OE1-CG 3.6Å; E162-H167 IonicContact OE1-ND1 2.78Å; E162-H167 PolarHBondContact OE1-ND1 2.89Å; C163-H167 WeakPolarHBondContact O-CA 3.45Å; C163-H167 PolarHBondContact O-N 3.2Å
168D84.9Confident74.7Confident62 Ų6287.7 Ų87.733%0.33247%0.465SS..  trans-84144.7177.4-76.2-35.2000111.7V147 E162 C163 C166 Y170V147-D168 HydrophobicContact CG2-CB 3.64Å; E162-D168 WeakPolarHBondContact CA-O 3.48Å; C163-D168 PolarHBondContact N-O 3.27Å; C166-D168 PolarHBondContact O-N 3.32Å; C166-D168 VanDerWaalsContact O-N 3.11Å; C166-D168 VanDerWaalsContact SG-CB 3.55Å; C166-D168 PolarHBondContact SG-OD2 3.35Å; D168-Y170 HydrophobicContact CB-CD2 4.31Å; D168-Y170 HydrophobicContact CB-CE2 3.45Å; D168-Y170 VanDerWaalsContact CB-CE2 3.45Å; D168-Y170 WeakPolarHBondContact O-CD2 3.47Å
169M82.5Confident73.9Confident35 Ų3591.5 Ų91.517%0.17249%0.491CS..EExtended strand (participates in β ladder)trans-86.2132.2177-70-55.710500111.6C146 V147 V160 I161 E162C146-M169 CarbonylContact C-O 3.46Å; C146-M169 WeakPolarHBondContact CA-O 3.41Å; V147-M169 PolarHBondContact N-O 2.96Å; V160-M169 HydrophobicContact CG1-CB 3.45Å; V160-M169 VanDerWaalsContact CG1-CB 3.45Å; V160-M169 HydrophobicContact CG1-CG 3.84Å; V160-M169 HydrophobicContact CG1-SD 3.56Å; V160-M169 VanDerWaalsContact CG1-SD 3.56Å; I161-M169 CarbonylContact O-C 3.48Å; E162-M169 HydrophobicContact CB-CE 3.32Å; E162-M169 HydrophobicContact CB-SD 4.33Å; E162-M169 HydrophobicContact CG-CE 3.28Å
170Y82.6Confident72.9Confident74 Ų7495 Ų9529%0.2951%0.513SS..EExtended strand (participates in β ladder)trans-133.8134176.7-64.8-85.8000111.4V147 V148 V160 I161 C163 D168V147-Y170 HydrophobicContact CB-CE1 4.09Å; V148-Y170 HydrophobicContact CG2-CD1 3.89Å; V148-Y170 HydrophobicContact CG2-CE1 4.15Å; V160-Y170 CarbonylContact C-O 3.6Å; V160-Y170 WeakPolarHBondContact CA-O 3.47Å; I161-Y170 PolarHBondContact N-O 3.47Å; I161-Y170 PolarHBondContact O-N 3.5Å; C163-Y170 HydrophobicContact CB-CD2 4.25Å; C163-Y170 HydrophobicContact CB-CE2 3.91Å; D168-Y170 HydrophobicContact CB-CD2 4.31Å; D168-Y170 HydrophobicContact CB-CE2 3.45Å; D168-Y170 VanDerWaalsContact CB-CE2 3.45Å; D168-Y170 WeakPolarHBondContact O-CD2 3.47Å
171H83.4Confident71.4Confident11 Ų1199 Ų995%0.05154%0.541CS..EExtended strand (participates in β ladder)trans-68.7135.9169.3-73.9119.4000110.5C146 C149 K151 G153 N158 S159 V160 K173 A174C146-H171 WeakPolarHBondContact CB-CE1 3.5Å; C146-H171 WeakPolarHBondContact CB-ND1 3.26Å; C146-H171 PolarHBondContact SG-N 3.38Å; C146-H171 PolarHBondContact SG-ND1 2.88Å; C149-H171 PolarHBondContact SG-CE1 2.68Å; C149-H171 PolarHBondContact SG-ND1 3.33Å; K151-H171 PolarHBondContact O-CE1 3.36Å; G153-H171 PolarHBondContact O-NE2 3.44Å; N158-H171 PolarHBondContact ND2-CD2 3.03Å; N158-H171 PolarHBondContact O-CD2 3.06Å; N158-H171 WeakPolarHBondContact OD1-CB 3.49Å; S159-H171 CarbonylContact O-C 3.6Å; S159-H171 WeakPolarHBondContact O-CA 3.46Å; V160-H171 VanDerWaalsContact CG2-CD2 3.48Å; V160-H171 WeakPolarHBondContact CG2-CD2 3.23Å; H171-K173 PolarHBondContact O-N 2.99Å; H171-A174 HydrophobicContact CB-CB 3.78Å; H171-A174 WeakPolarHBondContact O-CB 3.42Å; H171-A174 PolarHBondContact O-N 2.93Å
172Q76.3Confident69.9Low118 Ų118101.2 Ų101.255%0.55156%0.559SS**THydrogen-bonded Turntrans-53.1-30.9179.4-171.9173.716.300113S159 I161S159-Q172 PolarHBondContact O-N 3.07Å; S159-Q172 PolarHBondContact OG-OE1 3.12Å; I161-Q172 HydrophobicContact CD1-CB 3.81Å; I161-Q172 HydrophobicContact CD1-CG 3.83Å; I161-Q172 HydrophobicContact CG1-CB 4.41Å
173K73.1Confident68.3Low163 Ų163102.4 Ų102.471%0.70958%0.577SS**THydrogen-bonded Turntrans-98.71.8179.3-153.6175.4178.9178.30114.4N158 H171 Q175N158-K173 WeakPolarHBondContact OD1-CB 3.46Å; N158-K173 PolarHBondContact OD1-N 2.81Å; H171-K173 PolarHBondContact O-N 2.99Å; K173-Q175 PolarHBondContact O-N 3.09Å
174A61Low66.9Low33 Ų33106.2 Ų106.227%0.27360%0.598SS.*  trans-8112.6-176.400000114.9V148 H171V148-A174 HydrophobicContact CB-CB 4.22Å; V148-A174 HydrophobicContact CG1-CB 4.27Å; V148-A174 HydrophobicContact CG2-CB 4.39Å; H171-A174 HydrophobicContact CB-CB 3.78Å; H171-A174 WeakPolarHBondContact O-CB 3.42Å; H171-A174 PolarHBondContact O-N 2.93Å
175Q57Low65.5Low178 Ų178104.4 Ų104.483%0.83260%0.6SS**SBendtrans-103.473.9174.5-59.4-160.87.700111.1K173K173-Q175 PolarHBondContact O-N 3.09Å
176A51.8Low63.8Low92 Ų92105 Ų10576%0.7660%0.603SS**SBendtrans-176-17161.400000116.5
177T52.5Low62Low121 Ų121111 Ų11174%0.74262%0.622SS**SBendtrans-123.899.6-166.71.10000113.1
178T45.4Very low60.3Low121 Ų121113.7 Ų113.774%0.74264%0.639SS**  trans59.9118.6147.525.10000118.2
179P53.4Low58.7Low112 Ų112116.1 Ų116.173%0.72766%0.662SS**  trans-58.7148.6163.927.6-33.2000109.4S181P179-S181 PolarHBondContact O-N 3.44Å
180P56Low57.1Low124 Ų124118.8 Ų118.881%0.80569%0.689SS**  trans-59.2106.7174.225.4-32.5000108.2V182P180-V182 PolarHBondContact O-N 3.33Å; P180-V182 VanDerWaalsContact O-N 3.08Å
181S44.1Very low55.7Low105 Ų105124.8 Ų124.873%0.73472%0.722SS**  trans-53.3116166.450.80000107.3P179 S183P179-S181 PolarHBondContact O-N 3.44Å; S181-S183 VanDerWaalsContact C-N 3.34Å; S181-S183 PolarHBondContact O-N 3.16Å
182V52.8Low54Low133 Ų133127.4 Ų127.481%0.80675%0.752SS**  trans-57.1100.4168.2-148.90000106.3P180 V184P180-V182 PolarHBondContact O-N 3.33Å; P180-V182 VanDerWaalsContact O-N 3.08Å; V182-V184 VanDerWaalsContact C-N 3.27Å; V182-V184 PolarHBondContact O-N 3.04Å
183S52Low53.1Low112 Ų112131.7 Ų131.778%0.78377%0.769SS**  trans-73.389.6169.6420000107.4S181S181-S183 VanDerWaalsContact C-N 3.34Å; S181-S183 PolarHBondContact O-N 3.16Å
184V55Low52.2Low118 Ų118131.6 Ų131.672%0.71578%0.776SS**  trans-64.8126.7164.6-170.50000106.7V182 E186V182-V184 VanDerWaalsContact C-N 3.27Å; V182-V184 PolarHBondContact O-N 3.04Å; V184-E186 PolarHBondContact O-N 3.32Å; V184-E186 VanDerWaalsContact O-N 3.09Å
185P55.9Low52.5Low114 Ų114135.7 Ų135.774%0.7480%0.8SS**  trans-67.3112.7176.925.9-31.2000109.4K187P185-K187 PolarHBondContact O-N 3.28Å
186E49.3Very low52.6Low198 Ų198133.2 Ų133.293%0.92580%0.799SS**  trans-62.891.7167.5-172.1-178.6119.200109.2V184V184-E186 PolarHBondContact O-N 3.32Å; V184-E186 VanDerWaalsContact O-N 3.09Å
187K48.6Very low52.2Low186 Ų186134.6 Ų134.681%0.80980%0.803SS**  trans-162.589165.9-136179.2-176.4-169.80110.5P185P185-K187 PolarHBondContact O-N 3.28Å
188L49.8Very low52.6Low177 Ų177137.3 Ų137.393%0.92781%0.812SS**  trans-163.291.5150.5-100.8150.5000108.4
189S51Low53Low114 Ų114140.9 Ų140.980%0.79782%0.818SS**  trans-66145.6165.8-60.50000111.2
190A49.4Very low53Low91 Ų91140.9 Ų140.975%0.75282%0.82SS**  trans78.5145.1148.600000118.9
191M52.4Low52.9Low199 Ų199140.1 Ų140.198%0.9882%0.818SS**  trans81.5115.2-173.9-49.7-170-170.500112.5
192G47.2Very low53.1Low66 Ų66139.9 Ų139.968%0.6882%0.823SS**  cis144.7148.71600000107.8
193K58.5Low53.3Low209 Ų209138.1 Ų138.191%0.90982%0.822SS**  trans89108.2161.2-52.2172.8-178.31800117.3
194N53.6Low53.7Low160 Ų160140.3 Ų140.386%0.85683%0.825SS**  trans-58.7160161.4-71.6-61.4000112.5
195P66.6Low53.9Low119 Ų119142.3 Ų142.377%0.77383%0.831SS**  trans-130.8166.3131.135.9-24.4000113.8
196P59Low54.1Low127 Ų127142.3 Ų142.383%0.82583%0.832SS**  trans-96.6166.2-150.337.5-34.4000115.8
197S44.6Very low54.2Low120 Ų120141.1 Ų141.184%0.83983%0.831SS**  trans-56.9138.8174.9-57.60000114.9
198L60.9Low54.2Low179 Ų179135.2 Ų135.294%0.93782%0.822SS**  trans-128.4136.2154.9-77.7171.2000110.1
199K53.1Low54.5Low195 Ų195136.4 Ų136.485%0.84882%0.82SS**  trans-83.1158.4-174.6-82171.3168.9175.70112.7
200S53.2Low54.9Low112 Ų112139.1 Ų139.178%0.78382%0.822SS**  trans65.6145.7150.553.30000116.9
201S53.5Low54.8Low109 Ų109143.4 Ų143.476%0.76282%0.824SS**  cis-164.3149.1254.30000109.7
202A48.7Very low54.6Low100 Ų100139.9 Ų139.983%0.82682%0.819SS**  trans17122.5143.600000119.5
203A56.8Low55.2Low96 Ų96148 Ų14879%0.79383%0.829SS**  -166.3133.4128.600000110
204D61Low54.8Low157 Ų157147 Ų14784%0.8483%0.825SS**  trans-49139.2179.3-60.3-92.3000115.1
205N59.6Low54.5Low160 Ų160148.4 Ų148.486%0.85683%0.826SS**  trans-143107156.4-132.2-14.2000110L207N205-L207 PolarHBondContact O-N 3.32Å
206P58.6Low54Low115 Ų115146.9 Ų146.975%0.74782%0.824SS**  trans-94.391.4-178.234.9-29.4000110.4
207L52Low53.8Low173 Ų173147 Ų14791%0.90682%0.823SS**  trans-138.365.8160.5-105.5155.8000108.2N205N205-L207 PolarHBondContact O-N 3.32Å
208G49.3Very low54Low61 Ų61144.9 Ų144.963%0.62982%0.819SS**  trans-74.8144.9165.300000110.8
209K55.2Low53.7Low202 Ų202141.3 Ų141.388%0.87882%0.816SS**  trans68.297.4148.5-51.6173.3-176.5178.50115.1
210M59.3Low53.3Low171 Ų171140.6 Ų140.684%0.84281%0.813SS**  -155.2138.4129.1-77.1-145.7-101.400110.3
211F47.8Very low53.2Low182 Ų182139 Ų13980%0.79881%0.814SS**  trans84.667.4166.8-60.6-75.7000119.5
212S49.2Very low53.1Low125 Ų125143 Ų14387%0.87481%0.814SS**  trans-101.1109130.5-66.40000108.6
213R59.3Low52.9Low235 Ų235144.1 Ų144.189%0.88781%0.814SS**  trans-177.4100.5158.9-123.9177.8175.2151.5-1.6110.2
214F49Very low52.6Low189 Ų189144.7 Ų144.783%0.82981%0.812SS**  trans-162.685.5139.7-150-102.3000109.7
215E48.8Very low52.3Low189 Ų189143.6 Ų143.688%0.88381%0.811SS**  trans-111.7140.4154.7-81.2-172.7136.700107.7
216A54.3Low51.9Low88 Ų88141.1 Ų141.173%0.72781%0.806SS**  trans64.497.3154.800000119.7
217T56Low51.7Low130 Ų130142.7 Ų142.780%0.79881%0.814SS**  trans-178116.71337.30000106.3
218G49.2Very low51.8Low74 Ų74138.2 Ų138.276%0.76380%0.802SS**  8894.862.500000108.9
219A53.1Low51.9Low104 Ų104141.7 Ų141.786%0.8681%0.811SS**  trans-173.2118.6154.700000111.2
220F46.5Very low51.8Low181 Ų181137.1 Ų137.179%0.79480%0.802SS**  trans-55.6145.3163.7-95.8-114.7000111.9Y222F220-Y222 HydrophobicContact CD1-CD2 4.04Å; F220-Y222 AromaticContact CD1-CE2 3.56Å; F220-Y222 HydrophobicContact CD1-CE2 3.56Å; F220-Y222 AromaticContact CE1-CE2 3.64Å; F220-Y222 HydrophobicContact CE1-CE2 3.64Å
221G49.6Very low51.4Low77 Ų77137.8 Ų137.879%0.79480%0.803SS**  trans-159.586.5168.100000110.7
222Y51.4Low51.8Low195 Ų195136.6 Ų136.677%0.76580%0.804SS**  trans-66.3131165.1-74.7-89.2000109.2F220F220-Y222 HydrophobicContact CD1-CD2 4.04Å; F220-Y222 AromaticContact CD1-CE2 3.56Å; F220-Y222 HydrophobicContact CD1-CE2 3.56Å; F220-Y222 AromaticContact CE1-CE2 3.64Å; F220-Y222 HydrophobicContact CE1-CE2 3.64Å
223C45.6Very low52Low122 Ų122134.2 Ų134.282%0.82480%0.799SS**  trans-116.795.1161.6-154.60000107.9
224S50.4Low52.5Low108 Ų108130.4 Ų130.476%0.75579%0.794SS**  trans-98.1111167.3-57.20000107.4
225T55.4Low52.5Low135 Ų135129.4 Ų129.483%0.82879%0.794SS**  trans-102.5102.6161.944.30000108.9
226S51Low53.2Low107 Ų107126.9 Ų126.975%0.74879%0.791SS**  trans-70.6130.4165.71620000110.3
227T52.8Low53.2Low148 Ų148131.2 Ų131.291%0.90879%0.794SS**  trans-149.9107.3141.327.30000107.5
228A54.3Low53.7Low79 Ų79135.2 Ų135.265%0.65382%0.819SS**  trans-128.3147.3174.300000109.6
229T53Low53.9Low135 Ų135138.3 Ų138.383%0.82882%0.822SS**  trans83.5156.9157.770.50000119.4
230P51.5Low54Low105 Ų105140.1 Ų140.168%0.68282%0.82SS**  cis-137171.8-23.524-0.5000115.1
231E50.6Low54.4Low186 Ų186137.8 Ų137.887%0.86982%0.821SS**  trans32120.8146.6-63-164.6131.600121.5
232I57.2Low54.6Low157 Ų157141.4 Ų141.481%0.80582%0.823SS**  trans-135.4100.7144.8-57.5177.1000108.1I234I232-I234 HydrophobicContact CG2-CG1 4.02Å
233G54.1Low54.9Low75 Ų75138.1 Ų138.177%0.77383%0.826SS**  trans-77.6132.1160.800000109.8
234I68.3Low55.5Low154 Ų154139.1 Ų139.179%0.7983%0.826SS**  trans-115.298.6166.3-58179.2000106.7I232I232-I234 HydrophobicContact CG2-CG1 4.02Å
235M49.4Very low55.8Low169 Ų169141.4 Ų141.483%0.83383%0.831SS**  trans-115.3110.6156.5-110.8-166.7-9200105.7
236V63.2Low55.9Low136 Ų136141.8 Ų141.882%0.82483%0.832SS**  trans-139126.4159.2179.90000108.2
237F55.6Low56.3Low179 Ų179144.8 Ų144.879%0.78584%0.839SS**  trans-75.1144.1177.2-79.1-108.5000111.8
238T65.3Low56.6Low214 Ų214144.5 Ų144.5100%1.31383%0.832SS**  trans-144.60135.350.90000108.5

Retrieved 238 of 238 residues in 163 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).