A0A5K4FAL5_SCHMA Loading...

Alpha-galactosidase

AlphaFold DB , UniProt , Accession A0A5K4FAL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 147 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
1M95.9Very high98.2Very high101 Ų10182.1 Ų82.150%0.49840%0.402SS..  0-39.10-59.8-50.9-71.600113.2N3 L4 A5 F15 I17 W46M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.07Å; M1-L4 HydrophobicContact CE-CD2 3.91Å; M1-L4 WeakPolarHBondContact O-CA 3.44Å; M1-L4 VanDerWaalsContact O-CB 3.3Å; M1-L4 WeakPolarHBondContact O-CB 3.49Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-A5 PolarHBondContact O-N 3.31Å; M1-A5 VanDerWaalsContact O-N 3.14Å; M1-F15 HydrophobicContact CB-CE1 4.45Å; M1-F15 HydrophobicContact CE-CE1 4.16Å; M1-F15 HydrophobicContact CE-CE2 4.29Å; M1-F15 HydrophobicContact CE-CZ 3.42Å; M1-F15 VanDerWaalsContact CE-CZ 3.42Å; M1-I17 HydrophobicContact CE-CD1 4.34Å; M1-W46 HydrophobicContact CB-CB 4.08Å; M1-W46 HydrophobicContact CB-CD2 3.46Å; M1-W46 VanDerWaalsContact CB-CD2 3.46Å; M1-W46 HydrophobicContact CB-CE3 3.51Å; M1-W46 HydrophobicContact CB-CG 3.73Å; M1-W46 HydrophobicContact CB-CZ3 4.1Å; M1-W46 HydrophobicContact CG-CD2 3.84Å; M1-W46 HydrophobicContact CG-CE3 3.53Å; M1-W46 HydrophobicContact CG-CH2 3.9Å; M1-W46 HydrophobicContact CG-CZ2 4.19Å; M1-W46 HydrophobicContact CG-CZ3 3.56Å
2K97.7Very high98.2Very high82 Ų8288.3 Ų88.336%0.35744%0.438SS..Hα-helixtrans-44.2-49.3176.7-171.5170.5-176.6141.70115.1L4 A5 Q6 E47K2-L4 PolarHBondContact O-N 3.14Å; K2-A5 WeakPolarHBondContact O-CB 3.25Å; K2-A5 PolarHBondContact O-N 3.25Å; K2-Q6 HydrophobicContact CG-CG 4.37Å; K2-Q6 WeakPolarHBondContact O-CG 3.42Å; K2-Q6 PolarHBondContact O-N 2.88Å; K2-E47 WeakPolarHBondContact CE-OE1 3.47Å; K2-E47 IonicContact NZ-OE1 2.95Å; K2-E47 PolarHBondContact NZ-OE1 3.39Å
3N98.1Very high98.3Very high131 Ų13188.8 Ų88.870%0.70144%0.443SS*.Hα-helixtrans-59.1-32.9178.3-61.24.8000113.3M1 Y7M1-N3 VanDerWaalsContact C-N 3.32Å; M1-N3 PolarHBondContact O-N 3.07Å; N3-Y7 WeakPolarHBondContact O-CB 3.05Å; N3-Y7 PolarHBondContact O-N 2.69Å
4L98.5Very high98.3Very high79 Ų7992.1 Ų92.141%0.41446%0.462SS..Hα-helixtrans-70.8-43.2175.1177.163.2000110.9M1 K2 Y7 L8 F15M1-L4 HydrophobicContact CE-CD2 3.91Å; M1-L4 WeakPolarHBondContact O-CA 3.44Å; M1-L4 VanDerWaalsContact O-CB 3.3Å; M1-L4 WeakPolarHBondContact O-CB 3.49Å; M1-L4 PolarHBondContact O-N 3.12Å; K2-L4 PolarHBondContact O-N 3.14Å; L4-Y7 PolarHBondContact O-N 2.95Å; L4-L8 HydrophobicContact CD1-CD1 4.46Å; L4-L8 HydrophobicContact CD1-CG 4.44Å; L4-L8 HydrophobicContact CG-CD1 4.27Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 3.28Å; L4-F15 HydrophobicContact CD2-CE2 3.96Å; L4-F15 HydrophobicContact CD2-CZ 4.2Å; L4-F15 HydrophobicContact CG-CE2 4.49Å
5A98.6Very high98.3Very high0 Ų087.1 Ų87.10%044%0.436CS..Hα-helixtrans-57.9-50.8174.600000110.5M1 K2 Y7 L8 H9 F15 W46 E47M1-A5 PolarHBondContact O-N 3.31Å; M1-A5 VanDerWaalsContact O-N 3.14Å; K2-A5 WeakPolarHBondContact O-CB 3.25Å; K2-A5 PolarHBondContact O-N 3.25Å; A5-Y7 VanDerWaalsContact C-N 3.3Å; A5-Y7 PolarHBondContact O-N 3.47Å; A5-L8 WeakPolarHBondContact O-CB 3.5Å; A5-L8 PolarHBondContact O-N 3.19Å; A5-H9 PolarHBondContact O-N 3.25Å; A5-H9 PolarHBondContact O-ND1 3.26Å; A5-F15 HydrophobicContact CB-CB 4.18Å; A5-F15 HydrophobicContact CB-CD1 3.6Å; A5-F15 HydrophobicContact CB-CE1 4.38Å; A5-F15 HydrophobicContact CB-CG 4.15Å; A5-W46 WeakPolarHBondContact CB-O 3.37Å; A5-E47 HydrophobicContact CB-CB 4.08Å
6Q98.5Very high98.3Very high87 Ų8784.1 Ų84.141%0.40743%0.434SS..Hα-helixtrans-59.2-38.8177.3-69.3-179.8-21.900112.8K2 S10 E47K2-Q6 HydrophobicContact CG-CG 4.37Å; K2-Q6 WeakPolarHBondContact O-CG 3.42Å; K2-Q6 PolarHBondContact O-N 2.88Å; Q6-S10 WeakPolarHBondContact O-CB 3.28Å; Q6-S10 PolarHBondContact O-N 2.89Å; Q6-E47 VanDerWaalsContact CG-OE2 3.23Å; Q6-E47 WeakPolarHBondContact CG-OE2 3.26Å
7Y98.7Very high98.3Very high134 Ų13480.7 Ų80.753%0.52542%0.416SS..Hα-helixtrans-62.7-47.5173.2177.7-97.5000111.5N3 L4 A5 S10 K11N3-Y7 WeakPolarHBondContact O-CB 3.05Å; N3-Y7 PolarHBondContact O-N 2.69Å; L4-Y7 PolarHBondContact O-N 2.95Å; A5-Y7 VanDerWaalsContact C-N 3.3Å; A5-Y7 PolarHBondContact O-N 3.47Å; Y7-S10 WeakPolarHBondContact O-CB 3.35Å; Y7-S10 PolarHBondContact O-N 3.38Å; Y7-S10 PolarHBondContact O-OG 2.69Å; Y7-K11 HydrophobicContact CE1-CG 4.44Å; Y7-K11 WeakPolarHBondContact O-CG 3.49Å; Y7-K11 PolarHBondContact O-N 3.04Å
8L98.7Very high98.3Very high38 Ų3880.6 Ų80.620%0.19942%0.42CS..Hα-helixtrans-61.8-44.8176.9-69170.6000111.8L4 A5 S10 K11 N12 L13 F15L4-L8 HydrophobicContact CD1-CD1 4.46Å; L4-L8 HydrophobicContact CD1-CG 4.44Å; L4-L8 HydrophobicContact CG-CD1 4.27Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 3.28Å; A5-L8 WeakPolarHBondContact O-CB 3.5Å; A5-L8 PolarHBondContact O-N 3.19Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 2.69Å; L8-K11 CarbonylContact O-C 3.38Å; L8-K11 WeakPolarHBondContact O-CA 3.37Å; L8-K11 WeakPolarHBondContact O-CB 3.34Å; L8-K11 PolarHBondContact O-N 2.78Å; L8-N12 PolarHBondContact O-N 2.69Å; L8-L13 CarbonylContact C-O 3.49Å; L8-L13 HydrophobicContact CB-CB 4.22Å; L8-L13 HydrophobicContact CD2-CB 4.42Å; L8-L13 HydrophobicContact CD2-CD1 4.09Å; L8-L13 WeakPolarHBondContact O-CB 3.49Å; L8-L13 PolarHBondContact O-N 3.33Å; L8-F15 HydrophobicContact CD1-CB 3.82Å; L8-F15 HydrophobicContact CD1-CD2 3.46Å; L8-F15 VanDerWaalsContact CD1-CD2 3.46Å; L8-F15 HydrophobicContact CD1-CE2 4.4Å; L8-F15 HydrophobicContact CD1-CG 3.91Å
9H98.6Very high98.3Very high51 Ų5177.4 Ų77.424%0.23640%0.403CS..Hα-helixtrans-60.6-39175.7-61148.5000111.7A5 K11 N12 L13 E47 D49A5-H9 PolarHBondContact O-N 3.25Å; A5-H9 PolarHBondContact O-ND1 3.26Å; H9-K11 PolarHBondContact O-N 2.97Å; H9-K11 VanDerWaalsContact O-N 3.11Å; H9-N12 WeakPolarHBondContact O-CA 3.49Å; H9-N12 PolarHBondContact O-N 2.9Å; H9-L13 WeakPolarHBondContact CA-O 3.4Å; H9-L13 PolarHBondContact CD2-O 3.11Å; H9-L13 VanDerWaalsContact CD2-O 3.25Å; H9-L13 PolarHBondContact N-O 3.29Å; H9-E47 PolarHBondContact CE1-O 3.31Å; H9-E47 VanDerWaalsContact CE1-O 3.31Å; H9-D49 IonicContact CD2-OD2 2.65Å; H9-D49 IonicContact CE1-OD2 3.16Å; H9-D49 IonicContact NE2-OD1 2.79Å; H9-D49 IonicContact NE2-OD2 3.59Å; H9-D49 PolarHBondContact NE2-OD2 2.9Å
10S98.6Very high98.2Very high81 Ų8173.6 Ų73.657%0.56638%0.384SS*.Hα-helixtrans-62.6-16.9174820000113.7Q6 Y7 L8Q6-S10 WeakPolarHBondContact O-CB 3.28Å; Q6-S10 PolarHBondContact O-N 2.89Å; Y7-S10 WeakPolarHBondContact O-CB 3.35Å; Y7-S10 PolarHBondContact O-N 3.38Å; Y7-S10 PolarHBondContact O-OG 2.69Å; L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 2.69Å
11K98.6Very high98.2Very high119 Ų11970.5 Ų70.552%0.51737%0.367SS..THydrogen-bonded Turntrans-101.613.5173.7-57.2-59.3-178.6-1760112.8Y7 L8 H9 L13Y7-K11 HydrophobicContact CE1-CG 4.44Å; Y7-K11 WeakPolarHBondContact O-CG 3.49Å; Y7-K11 PolarHBondContact O-N 3.04Å; L8-K11 CarbonylContact O-C 3.38Å; L8-K11 WeakPolarHBondContact O-CA 3.37Å; L8-K11 WeakPolarHBondContact O-CB 3.34Å; L8-K11 PolarHBondContact O-N 2.78Å; H9-K11 PolarHBondContact O-N 2.97Å; H9-K11 VanDerWaalsContact O-N 3.11Å; K11-L13 HydrophobicContact CB-CD1 4.22Å; K11-L13 HydrophobicContact CB-CG 4.26Å; K11-L13 PolarHBondContact O-N 3.42Å
12N98.2Very high98.3Very high156 Ų15665.7 Ų65.783%0.83434%0.343SS*.THydrogen-bonded Turntrans56.332.6-173.9-59.1-45.4000113.3L8 H9L8-N12 PolarHBondContact O-N 2.69Å; H9-N12 WeakPolarHBondContact O-CA 3.49Å; H9-N12 PolarHBondContact O-N 2.9Å
13L98.7Very high98.2Very high96 Ų9666.6 Ų66.650%0.50336%0.356SS..  trans-109.5157175-60.7174.3000110.3L8 H9 K11L8-L13 CarbonylContact C-O 3.49Å; L8-L13 HydrophobicContact CB-CB 4.22Å; L8-L13 HydrophobicContact CD2-CB 4.42Å; L8-L13 HydrophobicContact CD2-CD1 4.09Å; L8-L13 WeakPolarHBondContact O-CB 3.49Å; L8-L13 PolarHBondContact O-N 3.33Å; H9-L13 WeakPolarHBondContact CA-O 3.4Å; H9-L13 PolarHBondContact CD2-O 3.11Å; H9-L13 VanDerWaalsContact CD2-O 3.25Å; H9-L13 PolarHBondContact N-O 3.29Å; K11-L13 HydrophobicContact CB-CD1 4.22Å; K11-L13 HydrophobicContact CB-CG 4.26Å; K11-L13 PolarHBondContact O-N 3.42Å
14L98.5Very high98.1Very high135 Ų13560.8 Ų60.871%0.70733%0.327SS*.  trans-100.1156.1174-61.2178.5000111.1D49L14-D49 WeakPolarHBondContact CA-OD2 3.46Å; L14-D49 HydrophobicContact CB-CB 3.96Å; L14-D49 HydrophobicContact CD2-CB 4.14Å; L14-D49 HydrophobicContact CG-CB 4.44Å
15F98.6Very high98Very high16 Ų1658 Ų587%0.0731%0.313CS..  trans-111.9122.3-176.7-179.1-133.6000112.7M1 L4 A5 L8 I17 V48 D49 Y50M1-F15 HydrophobicContact CB-CE1 4.45Å; M1-F15 HydrophobicContact CE-CE1 4.16Å; M1-F15 HydrophobicContact CE-CE2 4.29Å; M1-F15 HydrophobicContact CE-CZ 3.42Å; M1-F15 VanDerWaalsContact CE-CZ 3.42Å; L4-F15 HydrophobicContact CD2-CE2 3.96Å; L4-F15 HydrophobicContact CD2-CZ 4.2Å; L4-F15 HydrophobicContact CG-CE2 4.49Å; A5-F15 HydrophobicContact CB-CB 4.18Å; A5-F15 HydrophobicContact CB-CD1 3.6Å; A5-F15 HydrophobicContact CB-CE1 4.38Å; A5-F15 HydrophobicContact CB-CG 4.15Å; L8-F15 HydrophobicContact CD1-CB 3.82Å; L8-F15 HydrophobicContact CD1-CD2 3.46Å; L8-F15 VanDerWaalsContact CD1-CD2 3.46Å; L8-F15 HydrophobicContact CD1-CE2 4.4Å; L8-F15 HydrophobicContact CD1-CG 3.91Å; F15-I17 HydrophobicContact CE1-CD1 3.6Å; F15-I17 HydrophobicContact CE1-CG1 3.67Å; F15-I17 HydrophobicContact CE2-CG1 4.11Å; F15-I17 HydrophobicContact CZ-CD1 3.58Å; F15-I17 HydrophobicContact CZ-CG1 3.37Å; F15-V48 HydrophobicContact CD1-CG2 3.89Å; F15-V48 HydrophobicContact CE1-CG2 3.8Å; F15-D49 PolarHBondContact N-OD2 3.4Å; F15-D49 PolarHBondContact O-N 3.2Å; F15-Y50 PolarHBondContact O-N 3.22Å
16G98.6Very high97.9Very high40 Ų4061.4 Ų61.441%0.41234%0.336SS..EExtended strand (participates in β ladder)trans-110.814117800000114Y50G16-Y50 CarbonylContact C-O 3.55Å; G16-Y50 WeakPolarHBondContact CA-O 3.44Å
17I98.3Very high97.8Very high26 Ų2661 Ų6113%0.13335%0.347CS..EExtended strand (participates in β ladder)trans-124.3146.3174-69.6-167.7000110.9M1 F15 I19 L43 W46 V48 Y50 V51 K52M1-I17 HydrophobicContact CE-CD1 4.34Å; F15-I17 HydrophobicContact CE1-CD1 3.6Å; F15-I17 HydrophobicContact CE1-CG1 3.67Å; F15-I17 HydrophobicContact CE2-CG1 4.11Å; F15-I17 HydrophobicContact CZ-CD1 3.58Å; F15-I17 HydrophobicContact CZ-CG1 3.37Å; I17-I19 HydrophobicContact CG2-CG2 4.04Å; I17-L43 HydrophobicContact CB-CD2 3.99Å; I17-L43 HydrophobicContact CD1-CD2 3.97Å; I17-L43 HydrophobicContact CG1-CD2 4.48Å; I17-L43 HydrophobicContact CG2-CD2 3.81Å; I17-W46 HydrophobicContact CD1-CE3 3.79Å; I17-W46 HydrophobicContact CD1-CZ3 4.07Å; I17-V48 HydrophobicContact CB-CG1 4.22Å; I17-V48 HydrophobicContact CB-CG2 4.42Å; I17-V48 HydrophobicContact CD1-CG2 3.56Å; I17-V48 HydrophobicContact CG1-CG1 4.31Å; I17-V48 HydrophobicContact CG1-CG2 3.86Å; I17-Y50 PolarHBondContact N-O 2.78Å; I17-V51 WeakPolarHBondContact O-CA 3.43Å; I17-K52 PolarHBondContact O-N 3.1Å
18T98Very high97.7Very high79 Ų7957.8 Ų57.849%0.48536%0.356SS..EExtended strand (participates in β ladder)trans-105.8132.6168.8-62.50000110.4K52 N54T18-K52 CarbonylContact C-O 3.5Å; T18-K52 VanDerWaalsContact CA-O 3.26Å; T18-K52 WeakPolarHBondContact CA-O 3.4Å; T18-K52 HydrophobicContact CG2-CB 4.49Å; T18-K52 HydrophobicContact CG2-CD 4.38Å; T18-K52 HydrophobicContact CG2-CG 4.15Å; T18-N54 VanDerWaalsContact CG2-ND2 3.31Å; T18-N54 WeakPolarHBondContact CG2-ND2 3.32Å
19I98Very high97.6Very high19 Ų1963.8 Ų63.810%0.09738%0.377CS..EExtended strand (participates in β ladder)trans-123.7171.2171.765170.5000110.3I17 L43 V51 K52 M53 N54 F70I17-I19 HydrophobicContact CG2-CG2 4.04Å; I19-L43 HydrophobicContact CD1-CD1 4.47Å; I19-V51 HydrophobicContact CD1-CG1 4.22Å; I19-V51 HydrophobicContact CG1-CG1 4.16Å; I19-K52 PolarHBondContact N-O 3.18Å; I19-M53 HydrophobicContact CD1-CG 4.33Å; I19-M53 HydrophobicContact CD1-SD 3.86Å; I19-M53 HydrophobicContact CG1-CB 4.09Å; I19-M53 HydrophobicContact CG1-CG 4.02Å; I19-M53 HydrophobicContact CG1-SD 4.22Å; I19-N54 PolarHBondContact O-N 3.4Å; I19-F70 HydrophobicContact CD1-CD1 4.4Å; I19-F70 HydrophobicContact CD1-CE1 3.53Å; I19-F70 HydrophobicContact CD1-CE2 3.97Å; I19-F70 HydrophobicContact CD1-CZ 3.27Å
20G97.5Very high97.6Very high1 Ų166.9 Ų66.91%0.0140%0.401CS..EExtended strand (participates in β ladder)trans-119126.4175.400000111G22 G31 S32 N54G20-G22 VanDerWaalsContact C-N 3.3Å; G20-G22 PolarHBondContact O-N 3.37Å; G20-G31 CarbonylContact O-C 3.57Å; G20-G31 WeakPolarHBondContact O-CA 3.23Å; G20-S32 WeakPolarHBondContact O-CB 3.36Å; G20-S32 PolarHBondContact O-N 3.21Å; G20-S32 PolarHBondContact O-OG 3.44Å; G20-N54 CarbonylContact C-O 3.56Å; G20-N54 WeakPolarHBondContact CA-O 3.32Å
21Y98Very high97.5Very high10 Ų1063.6 Ų63.64%0.03938%0.38CS..SBendtrans-61.3-36.8177.6171-116.9000112.8L33 L36 M53 N54 S58 M62 M63 G66 F67Y21-L33 HydrophobicContact CE1-CD1 4.13Å; Y21-L33 HydrophobicContact CE2-CD1 3.77Å; Y21-L33 WeakPolarHBondContact O-CA 3.37Å; Y21-L33 VanDerWaalsContact O-CB 3.29Å; Y21-L33 WeakPolarHBondContact O-CB 3.28Å; Y21-L33 PolarHBondContact O-N 3.27Å; Y21-L36 HydrophobicContact CD2-CD2 4.2Å; Y21-L36 HydrophobicContact CE2-CD1 4.26Å; Y21-M53 HydrophobicContact CD2-CE 4.12Å; Y21-M53 HydrophobicContact CD2-SD 4.44Å; Y21-M53 HydrophobicContact CG-CE 4.38Å; Y21-N54 PolarHBondContact N-O 2.75Å; Y21-S58 WeakPolarHBondContact CD1-OG 3.45Å; Y21-M62 HydrophobicContact CE1-CB 4.47Å; Y21-M62 VanDerWaalsContact OH-CB 3.32Å; Y21-M62 WeakPolarHBondContact OH-CB 3.37Å; Y21-M62 PolarHBondContact OH-O 2.85Å; Y21-M63 HydrophobicContact CD1-CB 4.39Å; Y21-M63 HydrophobicContact CD1-CG 4Å; Y21-M63 HydrophobicContact CE1-CB 4.24Å; Y21-M63 HydrophobicContact CE1-CG 3.93Å; Y21-G66 VanDerWaalsContact CE2-CA 3.44Å; Y21-F67 HydrophobicContact CD1-CD2 4.35Å; Y21-F67 AromaticContact CD1-CE2 3.93Å; Y21-F67 HydrophobicContact CD1-CE2 3.93Å; Y21-F67 HydrophobicContact CD2-CD2 4.49Å; Y21-F67 HydrophobicContact CD2-CE2 4.47Å; Y21-F67 HydrophobicContact CG-CD2 4.14Å; Y21-F67 AromaticContact CG-CE2 3.73Å; Y21-F67 HydrophobicContact CG-CE2 3.73Å
22G96.6Very high97.5Very high0 Ų058 Ų580%036%0.357CS..SBendtrans-73.4-163.8-173.800000114.7G20 G24 G31 S32 L33 N57 S58G20-G22 VanDerWaalsContact C-N 3.3Å; G20-G22 PolarHBondContact O-N 3.37Å; G22-G24 PolarHBondContact O-N 3.12Å; G22-G31 CarbonylContact O-C 3.47Å; G22-G31 WeakPolarHBondContact O-CA 3.49Å; G22-S32 PolarHBondContact O-N 3.39Å; G22-L33 PolarHBondContact O-N 2.77Å; G22-N57 VanDerWaalsContact CA-O 3.23Å; G22-N57 WeakPolarHBondContact CA-O 3.47Å; G22-S58 WeakPolarHBondContact CA-OG 3.37Å; G22-S58 PolarHBondContact N-OG 3.44Å
23T96.8Very high97.4Very high101 Ų10152.2 Ų52.262%0.6233%0.325SS*.SBendtrans-70.6-18.8175.555.60000112.9G31 L33 N57T23-G31 PolarHBondContact O-N 3.44Å; T23-L33 HydrophobicContact CG2-CD2 3.96Å; T23-N57 PolarHBondContact N-O 3.04Å; T23-N57 VanDerWaalsContact N-O 3.11Å
24G96.1Very high97.3Very high9 Ų954.2 Ų54.29%0.09334%0.336CS..BIsolated β-bridgetrans-154.8154.5176.200000111.9G22 Y29 N57G22-G24 PolarHBondContact O-N 3.12Å; G24-Y29 CarbonylContact C-O 3.47Å; G24-Y29 VanDerWaalsContact CA-O 3.24Å; G24-Y29 WeakPolarHBondContact CA-O 3.38Å; G24-N57 PolarHBondContact O-ND2 3.3Å
25T96.6Very high97.3Very high21 Ų2153.2 Ų53.213%0.12933%0.327CS..  trans-64.6165.5168.470.70000111.1A27 G28 Y29 N57T25-A27 PolarHBondContact O-N 3.43Å; T25-A27 VanDerWaalsContact O-N 3.08Å; T25-A27 PolarHBondContact OG1-N 3.37Å; T25-G28 PolarHBondContact O-N 3.45Å; T25-G28 PolarHBondContact OG1-N 3.12Å; T25-Y29 PolarHBondContact N-O 3Å; T25-Y29 WeakPolarHBondContact OG1-CB 3.34Å; T25-Y29 PolarHBondContact OG1-N 3.45Å; T25-Y29 PolarHBondContact OG1-O 2.89Å; T25-N57 PolarHBondContact O-ND2 3.28Å; T25-N57 VanDerWaalsContact O-ND2 3.12Å
26C95.7Very high97.3Very high70 Ų7052.7 Ų52.747%0.47333%0.325SS..THydrogen-bonded Turntrans-57.4-24.6175.5-50.50000113.8C56C26-C56 WeakPolarHBondContact CA-SG 2.98Å; C26-C56 HydrophobicContact CB-CB 3.81Å; C26-C56 WeakPolarHBondContact CB-SG 3.33Å; C26-C56 WeakPolarHBondContact SG-CB 3.45Å; C26-C56 CovalentContact SG-SG 2.02Å; C26-C56 PolarHBondContact SG-SG 2.81Å
27A96.3Very high97.3Very high78 Ų7855.9 Ų55.965%0.64533%0.329SS*.THydrogen-bonded Turntrans-98.38.9-179.700000113.2T25 Y29T25-A27 PolarHBondContact O-N 3.43Å; T25-A27 VanDerWaalsContact O-N 3.08Å; T25-A27 PolarHBondContact OG1-N 3.37Å; A27-Y29 HydrophobicContact CB-CD2 3.86Å; A27-Y29 HydrophobicContact CB-CE2 3.84Å
28G96.3Very high97.3Very high68 Ų6859.4 Ų59.470%0.70135%0.347SS*.SBendtrans86.92.1175.900000116T25T25-G28 PolarHBondContact O-N 3.45Å; T25-G28 PolarHBondContact OG1-N 3.12Å
29Y97.7Very high97.3Very high163 Ų16357.4 Ų57.464%0.63933%0.334SS*.SBendtrans-71.9161.4169.8-59.4-81.7000112G24 T25 A27G24-Y29 CarbonylContact C-O 3.47Å; G24-Y29 VanDerWaalsContact CA-O 3.24Å; G24-Y29 WeakPolarHBondContact CA-O 3.38Å; T25-Y29 PolarHBondContact N-O 3Å; T25-Y29 WeakPolarHBondContact OG1-CB 3.34Å; T25-Y29 PolarHBondContact OG1-N 3.45Å; T25-Y29 PolarHBondContact OG1-O 2.89Å; A27-Y29 HydrophobicContact CB-CD2 3.86Å; A27-Y29 HydrophobicContact CB-CE2 3.84Å
30P97.8Very high97.3Very high116 Ų11656.6 Ų56.675%0.75333%0.329SS*.BIsolated β-bridgetrans-52.8140178.8-27.936.1000113.7
31G97.7Very high97.4Very high12 Ų1261.5 Ų61.512%0.12435%0.35CS..  trans-104.7173.7174.400000112.7G20 G22 T23G20-G31 CarbonylContact O-C 3.57Å; G20-G31 WeakPolarHBondContact O-CA 3.23Å; G22-G31 CarbonylContact O-C 3.47Å; G22-G31 WeakPolarHBondContact O-CA 3.49Å; T23-G31 PolarHBondContact O-N 3.44Å
32S98.1Very high97.4Very high3 Ų362.4 Ų62.42%0.02136%0.357CS..  trans-104.91.9-164.8-59.10000114.1G20 G22 D34 F35 L36 D39G20-S32 WeakPolarHBondContact O-CB 3.36Å; G20-S32 PolarHBondContact O-N 3.21Å; G20-S32 PolarHBondContact O-OG 3.44Å; G22-S32 PolarHBondContact O-N 3.39Å; S32-D34 VanDerWaalsContact C-N 3.26Å; S32-D34 PolarHBondContact O-N 3.23Å; S32-D34 VanDerWaalsContact O-N 3.09Å; S32-F35 CarbonylContact O-C 3.32Å; S32-F35 PolarHBondContact O-N 3.38Å; S32-L36 WeakPolarHBondContact O-CD2 3.43Å; S32-L36 WeakPolarHBondContact O-CG 3.29Å; S32-L36 PolarHBondContact O-N 2.88Å; S32-D39 WeakPolarHBondContact CB-OD2 3.38Å; S32-D39 PolarHBondContact OG-OD2 3Å
33L95.9Very high97.5Very high34 Ų3462.7 Ų62.718%0.17836%0.359CS..THydrogen-bonded Turntrans-48.9-45.2-167.8-174.859.3000113.8Y21 G22 T23 M62Y21-L33 HydrophobicContact CE1-CD1 4.13Å; Y21-L33 HydrophobicContact CE2-CD1 3.77Å; Y21-L33 WeakPolarHBondContact O-CA 3.37Å; Y21-L33 VanDerWaalsContact O-CB 3.29Å; Y21-L33 WeakPolarHBondContact O-CB 3.28Å; Y21-L33 PolarHBondContact O-N 3.27Å; G22-L33 PolarHBondContact O-N 2.77Å; T23-L33 HydrophobicContact CG2-CD2 3.96Å; L33-M62 HydrophobicContact CD1-CE 3.72Å; L33-M62 HydrophobicContact CD2-CE 4.13Å
34D96Very high97.6Very high137 Ų13758.7 Ų58.773%0.73334%0.336SS*.THydrogen-bonded Turntrans-99.8-0.7-180-59.2-48.9000113.4S32S32-D34 VanDerWaalsContact C-N 3.26Å; S32-D34 PolarHBondContact O-N 3.23Å; S32-D34 VanDerWaalsContact O-N 3.09Å
35F98.1Very high97.8Very high115 Ų11564.3 Ų64.350%0.50436%0.36SS..THydrogen-bonded Turntrans-121.711.2-171.5-59.6-78.8000113.6S32 E37 L38 D39S32-F35 CarbonylContact O-C 3.32Å; S32-F35 PolarHBondContact O-N 3.38Å; F35-E37 VanDerWaalsContact C-N 3.27Å; F35-E37 PolarHBondContact O-N 2.7Å; F35-E37 VanDerWaalsContact O-N 3.09Å; F35-L38 HydrophobicContact CD1-CD2 4.09Å; F35-L38 WeakPolarHBondContact O-CB 3.41Å; F35-L38 PolarHBondContact O-N 3.09Å; F35-D39 WeakPolarHBondContact O-CB 3.11Å; F35-D39 PolarHBondContact O-N 3.47Å
36L98.4Very high97.9Very high5 Ų567.7 Ų67.73%0.02637%0.37CS..Hα-helixtrans-49-42.4-175-65.6178.9000114.4Y21 S32 A40 M53 K69 F70 L73Y21-L36 HydrophobicContact CD2-CD2 4.2Å; Y21-L36 HydrophobicContact CE2-CD1 4.26Å; S32-L36 WeakPolarHBondContact O-CD2 3.43Å; S32-L36 WeakPolarHBondContact O-CG 3.29Å; S32-L36 PolarHBondContact O-N 2.88Å; L36-A40 WeakPolarHBondContact O-CB 3.23Å; L36-A40 PolarHBondContact O-N 3.35Å; L36-M53 HydrophobicContact CD2-SD 4.45Å; L36-K69 HydrophobicContact CD1-CD 3.95Å; L36-K69 HydrophobicContact CD1-CG 4.27Å; L36-F70 HydrophobicContact CB-CD2 4.05Å; L36-F70 HydrophobicContact CD2-CB 4.31Å; L36-F70 HydrophobicContact CD2-CD2 3.8Å; L36-F70 HydrophobicContact CD2-CE2 4.49Å; L36-F70 HydrophobicContact CD2-CG 4.25Å; L36-F70 HydrophobicContact CG-CD2 4.47Å; L36-F70 WeakPolarHBondContact O-CE2 3.37Å; L36-L73 HydrophobicContact CB-CD1 3.68Å
37E98.6Very high98Very high106 Ų10666.4 Ų66.450%0.49536%0.358SS..Hα-helixtrans-72-41.9179.9179.3176.1174.400112.2F35 D39 A40 K41 L73F35-E37 VanDerWaalsContact C-N 3.27Å; F35-E37 PolarHBondContact O-N 2.7Å; F35-E37 VanDerWaalsContact O-N 3.09Å; E37-D39 VanDerWaalsContact C-N 3.34Å; E37-A40 PolarHBondContact O-N 3.41Å; E37-K41 HydrophobicContact CG-CD 4.43Å; E37-K41 WeakPolarHBondContact O-CG 3.43Å; E37-K41 PolarHBondContact O-N 3.41Å; E37-K41 VanDerWaalsContact O-N 3.12Å; E37-K41 WeakPolarHBondContact OE1-CE 3.39Å; E37-K41 IonicContact OE1-NZ 2.69Å; E37-K41 PolarHBondContact OE1-NZ 3.4Å; E37-L73 HydrophobicContact CB-CD1 4.17Å; E37-L73 HydrophobicContact CB-CD2 3.88Å; E37-L73 HydrophobicContact CG-CD2 3.93Å
38L98.7Very high98.1Very high100 Ų10062.7 Ų62.752%0.52433%0.327SS..Hα-helixtrans-61.9-45.8175.8175.863.5000110.4F35 K41 T42F35-L38 HydrophobicContact CD1-CD2 4.09Å; F35-L38 WeakPolarHBondContact O-CB 3.41Å; F35-L38 PolarHBondContact O-N 3.09Å; L38-K41 PolarHBondContact O-N 2.94Å; L38-T42 WeakPolarHBondContact O-CB 3.23Å; L38-T42 PolarHBondContact O-N 3.04Å; L38-T42 PolarHBondContact O-OG1 3.14Å
39D98.7Very high98.2Very high38 Ų3860.7 Ų60.720%0.20330%0.3CS..Hα-helixtrans-66-42.7-178.8-72-6000110.9S32 F35 E37 K41 T42 L43 F70S32-D39 WeakPolarHBondContact CB-OD2 3.38Å; S32-D39 PolarHBondContact OG-OD2 3Å; F35-D39 WeakPolarHBondContact O-CB 3.11Å; F35-D39 PolarHBondContact O-N 3.47Å; E37-D39 VanDerWaalsContact C-N 3.34Å; D39-K41 PolarHBondContact O-N 3.36Å; D39-T42 PolarHBondContact O-N 3.42Å; D39-L43 WeakPolarHBondContact O-CB 3.36Å; D39-L43 WeakPolarHBondContact O-CG 3.46Å; D39-L43 PolarHBondContact O-N 3.39Å; D39-F70 HydrophobicContact CB-CE2 4.47Å
40A98.8Very high98.3Very high1 Ų156.1 Ų56.11%0.00828%0.282CS..Hα-helixtrans-58.1-48.3175.100000111.8L36 E37 T42 L43 A44 F70 L73 L74 T77L36-A40 WeakPolarHBondContact O-CB 3.23Å; L36-A40 PolarHBondContact O-N 3.35Å; E37-A40 PolarHBondContact O-N 3.41Å; A40-T42 PolarHBondContact O-N 2.82Å; A40-L43 PolarHBondContact O-N 3.38Å; A40-A44 PolarHBondContact O-N 2.8Å; A40-A44 VanDerWaalsContact O-N 3.14Å; A40-F70 HydrophobicContact CB-CD2 4.49Å; A40-F70 HydrophobicContact CB-CE2 3.92Å; A40-L73 HydrophobicContact CB-CB 3.74Å; A40-L74 HydrophobicContact CB-CD2 4.26Å; A40-T77 HydrophobicContact CB-CG2 4.28Å; A40-T77 WeakPolarHBondContact O-CG2 3.37Å
41K98.7Very high98.3Very high104 Ų10450.6 Ų50.645%0.45225%0.246SC..Hα-helixtrans-61-44.9176.3-70.3175.3-173170.60111.6E37 L38 D39 L43 A44 E45E37-K41 HydrophobicContact CG-CD 4.43Å; E37-K41 WeakPolarHBondContact O-CG 3.43Å; E37-K41 PolarHBondContact O-N 3.41Å; E37-K41 VanDerWaalsContact O-N 3.12Å; E37-K41 WeakPolarHBondContact OE1-CE 3.39Å; E37-K41 IonicContact OE1-NZ 2.69Å; E37-K41 PolarHBondContact OE1-NZ 3.4Å; L38-K41 PolarHBondContact O-N 2.94Å; D39-K41 PolarHBondContact O-N 3.36Å; K41-L43 PolarHBondContact O-N 2.98Å; K41-A44 PolarHBondContact O-N 3.01Å; K41-E45 WeakPolarHBondContact O-CG 3.43Å; K41-E45 PolarHBondContact O-N 3.27Å
42T98.8Very high98.4Very high30 Ų3053.1 Ų53.118%0.18425%0.254CS..Hα-helixtrans-61.1-43.6179.7-59.70000111.8L38 D39 A40 A44 E45 W46L38-T42 WeakPolarHBondContact O-CB 3.23Å; L38-T42 PolarHBondContact O-N 3.04Å; L38-T42 PolarHBondContact O-OG1 3.14Å; D39-T42 PolarHBondContact O-N 3.42Å; A40-T42 PolarHBondContact O-N 2.82Å; T42-A44 VanDerWaalsContact C-N 3.34Å; T42-A44 PolarHBondContact O-N 2.91Å; T42-E45 PolarHBondContact O-N 3.49Å; T42-W46 HydrophobicContact CG2-CD2 3.77Å; T42-W46 VanDerWaalsContact CG2-CE2 3.41Å; T42-W46 HydrophobicContact CG2-CE3 4.1Å; T42-W46 HydrophobicContact CG2-CG 4.45Å; T42-W46 HydrophobicContact CG2-CH2 3.8Å; T42-W46 HydrophobicContact CG2-CZ2 3.44Å; T42-W46 VanDerWaalsContact CG2-CZ2 3.44Å; T42-W46 HydrophobicContact CG2-CZ3 4.11Å; T42-W46 WeakPolarHBondContact O-CB 3.31Å; T42-W46 PolarHBondContact O-N 2.77Å
43L98.8Very high98.4Very high5 Ų553 Ų533%0.02625%0.253CS..Hα-helixtrans-62.4-41.3176.8-68.1167.7000111.5I17 I19 D39 A40 K41 W46 E47 V48 V51 F70 L74 M81I17-L43 HydrophobicContact CB-CD2 3.99Å; I17-L43 HydrophobicContact CD1-CD2 3.97Å; I17-L43 HydrophobicContact CG1-CD2 4.48Å; I17-L43 HydrophobicContact CG2-CD2 3.81Å; I19-L43 HydrophobicContact CD1-CD1 4.47Å; D39-L43 WeakPolarHBondContact O-CB 3.36Å; D39-L43 WeakPolarHBondContact O-CG 3.46Å; D39-L43 PolarHBondContact O-N 3.39Å; A40-L43 PolarHBondContact O-N 3.38Å; K41-L43 PolarHBondContact O-N 2.98Å; L43-W46 PolarHBondContact O-N 2.79Å; L43-E47 PolarHBondContact O-N 2.99Å; L43-V48 HydrophobicContact CB-CB 4.27Å; L43-V48 HydrophobicContact CB-CG2 4.25Å; L43-V48 HydrophobicContact CD2-CB 4.42Å; L43-V48 HydrophobicContact CD2-CG1 4.43Å; L43-V48 HydrophobicContact CD2-CG2 3.87Å; L43-V48 WeakPolarHBondContact O-CB 3.45Å; L43-V48 WeakPolarHBondContact O-CG2 3.48Å; L43-V48 PolarHBondContact O-N 2.82Å; L43-V51 HydrophobicContact CD1-CG1 4.03Å; L43-V51 HydrophobicContact CD1-CG2 3.93Å; L43-F70 HydrophobicContact CD1-CZ 3.83Å; L43-L74 HydrophobicContact CD1-CD2 4.31Å; L43-M81 HydrophobicContact CB-SD 4.14Å
44A98.7Very high98.4Very high18 Ų1852.5 Ų52.515%0.14925%0.25CS..Hα-helixtrans-66.5-43.5175.900000112.5A40 K41 T42 W46 E47 T77 R79 M81A40-A44 PolarHBondContact O-N 2.8Å; A40-A44 VanDerWaalsContact O-N 3.14Å; K41-A44 PolarHBondContact O-N 3.01Å; T42-A44 VanDerWaalsContact C-N 3.34Å; T42-A44 PolarHBondContact O-N 2.91Å; A44-W46 VanDerWaalsContact C-N 3.27Å; A44-W46 PolarHBondContact O-N 3.47Å; A44-E47 WeakPolarHBondContact O-CA 3.44Å; A44-E47 PolarHBondContact O-N 3.22Å; A44-T77 HydrophobicContact CB-CG2 3.8Å; A44-R79 HydrophobicContact CB-CB 4.11Å; A44-M81 HydrophobicContact CB-CE 4.08Å
45E98.6Very high98.4Very high127 Ų12746 Ų4659%0.59322%0.216SC*.Hα-helixtrans-61.2-35.2175.2-75.4174.9-168.600112.7K41 T42 E47K41-E45 WeakPolarHBondContact O-CG 3.43Å; K41-E45 PolarHBondContact O-N 3.27Å; T42-E45 PolarHBondContact O-N 3.49Å; E45-E47 PolarHBondContact O-N 2.85Å
46W98.8Very high98.2Very high91 Ų9141.6 Ų41.635%0.34520%0.199SC..THydrogen-bonded Turntrans-78.3-0.7174.5-68.7-3.3000114M1 A5 I17 T42 L43 A44 V48M1-W46 HydrophobicContact CB-CB 4.08Å; M1-W46 HydrophobicContact CB-CD2 3.46Å; M1-W46 VanDerWaalsContact CB-CD2 3.46Å; M1-W46 HydrophobicContact CB-CE3 3.51Å; M1-W46 HydrophobicContact CB-CG 3.73Å; M1-W46 HydrophobicContact CB-CZ3 4.1Å; M1-W46 HydrophobicContact CG-CD2 3.84Å; M1-W46 HydrophobicContact CG-CE3 3.53Å; M1-W46 HydrophobicContact CG-CH2 3.9Å; M1-W46 HydrophobicContact CG-CZ2 4.19Å; M1-W46 HydrophobicContact CG-CZ3 3.56Å; A5-W46 WeakPolarHBondContact CB-O 3.37Å; I17-W46 HydrophobicContact CD1-CE3 3.79Å; I17-W46 HydrophobicContact CD1-CZ3 4.07Å; T42-W46 HydrophobicContact CG2-CD2 3.77Å; T42-W46 VanDerWaalsContact CG2-CE2 3.41Å; T42-W46 HydrophobicContact CG2-CE3 4.1Å; T42-W46 HydrophobicContact CG2-CG 4.45Å; T42-W46 HydrophobicContact CG2-CH2 3.8Å; T42-W46 HydrophobicContact CG2-CZ2 3.44Å; T42-W46 VanDerWaalsContact CG2-CZ2 3.44Å; T42-W46 HydrophobicContact CG2-CZ3 4.11Å; T42-W46 WeakPolarHBondContact O-CB 3.31Å; T42-W46 PolarHBondContact O-N 2.77Å; L43-W46 PolarHBondContact O-N 2.79Å; A44-W46 VanDerWaalsContact C-N 3.27Å; A44-W46 PolarHBondContact O-N 3.47Å; W46-V48 VanDerWaalsContact C-N 3.32Å; W46-V48 HydrophobicContact CB-CG2 4.16Å; W46-V48 PolarHBondContact O-N 3.06Å
47E98.6Very high98Very high44 Ų4445.9 Ų45.921%0.20622%0.222CC..THydrogen-bonded Turntrans61.637.3179.5-59.4171.3178.400112.8K2 A5 Q6 H9 L43 A44 E45 R79K2-E47 WeakPolarHBondContact CE-OE1 3.47Å; K2-E47 IonicContact NZ-OE1 2.95Å; K2-E47 PolarHBondContact NZ-OE1 3.39Å; A5-E47 HydrophobicContact CB-CB 4.08Å; Q6-E47 VanDerWaalsContact CG-OE2 3.23Å; Q6-E47 WeakPolarHBondContact CG-OE2 3.26Å; H9-E47 PolarHBondContact CE1-O 3.31Å; H9-E47 VanDerWaalsContact CE1-O 3.31Å; L43-E47 PolarHBondContact O-N 2.99Å; A44-E47 WeakPolarHBondContact O-CA 3.44Å; A44-E47 PolarHBondContact O-N 3.22Å; E45-E47 PolarHBondContact O-N 2.85Å; E47-R79 VanDerWaalsContact C-CZ 3.45Å; E47-R79 VanDerWaalsContact C-NE 3.28Å; E47-R79 VanDerWaalsContact C-NH2 3.28Å; E47-R79 VanDerWaalsContact CA-CZ 3.41Å; E47-R79 PolarHBondContact O-NH2 3.24Å
48V98.8Very high97.9Very high0 Ų041.5 Ų41.50%020%0.203CC..  trans-68.6141.3174178.10000110.7F15 I17 L43 W46 Y50 V51 R79 M81F15-V48 HydrophobicContact CD1-CG2 3.89Å; F15-V48 HydrophobicContact CE1-CG2 3.8Å; I17-V48 HydrophobicContact CB-CG1 4.22Å; I17-V48 HydrophobicContact CB-CG2 4.42Å; I17-V48 HydrophobicContact CD1-CG2 3.56Å; I17-V48 HydrophobicContact CG1-CG1 4.31Å; I17-V48 HydrophobicContact CG1-CG2 3.86Å; L43-V48 HydrophobicContact CB-CB 4.27Å; L43-V48 HydrophobicContact CB-CG2 4.25Å; L43-V48 HydrophobicContact CD2-CB 4.42Å; L43-V48 HydrophobicContact CD2-CG1 4.43Å; L43-V48 HydrophobicContact CD2-CG2 3.87Å; L43-V48 WeakPolarHBondContact O-CB 3.45Å; L43-V48 WeakPolarHBondContact O-CG2 3.48Å; L43-V48 PolarHBondContact O-N 2.82Å; W46-V48 VanDerWaalsContact C-N 3.32Å; W46-V48 HydrophobicContact CB-CG2 4.16Å; W46-V48 PolarHBondContact O-N 3.06Å; V48-Y50 VanDerWaalsContact CG1-O 3.23Å; V48-Y50 WeakPolarHBondContact CG1-O 3.48Å; V48-V51 HydrophobicContact CG1-CG2 3.99Å; V48-R79 WeakPolarHBondContact O-CD 3.43Å; V48-R79 PolarHBondContact O-NE 2.86Å; V48-M81 VanDerWaalsContact O-CG 3.23Å; V48-M81 WeakPolarHBondContact O-CG 3.32Å
49D98.8Very high97.5Very high26 Ų2639.1 Ų39.114%0.13919%0.194CC..  trans-109.6-21.4-179.6-53-65.2000112.8H9 L14 F15 R79 M81 M82H9-D49 IonicContact CD2-OD2 2.65Å; H9-D49 IonicContact CE1-OD2 3.16Å; H9-D49 IonicContact NE2-OD1 2.79Å; H9-D49 IonicContact NE2-OD2 3.59Å; H9-D49 PolarHBondContact NE2-OD2 2.9Å; L14-D49 WeakPolarHBondContact CA-OD2 3.46Å; L14-D49 HydrophobicContact CB-CB 3.96Å; L14-D49 HydrophobicContact CD2-CB 4.14Å; L14-D49 HydrophobicContact CG-CB 4.44Å; F15-D49 PolarHBondContact N-OD2 3.4Å; F15-D49 PolarHBondContact O-N 3.2Å; D49-R79 IonicContact OD1-CZ 3.62Å; D49-R79 IonicContact OD1-NH2 2.69Å; D49-R79 PolarHBondContact OD1-NH2 2.94Å; D49-M81 CarbonylContact O-C 3.48Å; D49-M81 WeakPolarHBondContact O-CA 3.48Å; D49-M82 PolarHBondContact O-N 2.62Å
50Y98.7Very high97.1Very high66 Ų6642.1 Ų42.126%0.25921%0.21SC..EExtended strand (participates in β ladder)trans-139131.7-177.2177.6-81.3000111F15 G16 I17 V48 K52 M82 L84 L111F15-Y50 PolarHBondContact O-N 3.22Å; G16-Y50 CarbonylContact C-O 3.55Å; G16-Y50 WeakPolarHBondContact CA-O 3.44Å; I17-Y50 PolarHBondContact N-O 2.78Å; V48-Y50 VanDerWaalsContact CG1-O 3.23Å; V48-Y50 WeakPolarHBondContact CG1-O 3.48Å; Y50-K52 HydrophobicContact CE1-CB 3.94Å; Y50-M82 CarbonylContact C-O 3.59Å; Y50-M82 WeakPolarHBondContact CA-O 3.44Å; Y50-M82 HydrophobicContact CD2-CB 3.83Å; Y50-M82 HydrophobicContact CD2-CG 3.75Å; Y50-M82 HydrophobicContact CD2-SD 3.61Å; Y50-M82 HydrophobicContact CE2-CG 4.02Å; Y50-M82 HydrophobicContact CE2-SD 3.72Å; Y50-L84 HydrophobicContact CE1-CB 4.49Å; Y50-L84 HydrophobicContact CE2-CB 4.36Å; Y50-L84 WeakPolarHBondContact OH-CB 3.37Å; Y50-L84 WeakPolarHBondContact OH-CD1 3.44Å; Y50-L111 HydrophobicContact CE2-CD1 4.34Å
51V98.7Very high96.7Very high0 Ų049.3 Ų49.30%024%0.243CC..EExtended strand (participates in β ladder)trans-124.5122.7179.6-171.80000109.8I17 I19 L43 V48 F70 L74 M81 M82 F83 L84I17-V51 WeakPolarHBondContact O-CA 3.43Å; I19-V51 HydrophobicContact CD1-CG1 4.22Å; I19-V51 HydrophobicContact CG1-CG1 4.16Å; L43-V51 HydrophobicContact CD1-CG1 4.03Å; L43-V51 HydrophobicContact CD1-CG2 3.93Å; V48-V51 HydrophobicContact CG1-CG2 3.99Å; V51-F70 HydrophobicContact CG1-CE1 3.91Å; V51-F70 HydrophobicContact CG1-CZ 4.41Å; V51-L74 HydrophobicContact CG2-CD2 4.23Å; V51-M81 HydrophobicContact CG2-CB 4.41Å; V51-M81 HydrophobicContact CG2-SD 4.19Å; V51-M82 PolarHBondContact N-O 3.2Å; V51-F83 HydrophobicContact CB-CD2 4.32Å; V51-L84 PolarHBondContact O-N 2.9Å
52K98.5Very high96.5Very high65 Ų6547 Ų4728%0.28324%0.235SC..EExtended strand (participates in β ladder)trans-102.8121.4167.3166.4173.2177.7-174.20109I17 T18 I19 Y50 N54 L84 T86I17-K52 PolarHBondContact O-N 3.1Å; T18-K52 CarbonylContact C-O 3.5Å; T18-K52 VanDerWaalsContact CA-O 3.26Å; T18-K52 WeakPolarHBondContact CA-O 3.4Å; T18-K52 HydrophobicContact CG2-CB 4.49Å; T18-K52 HydrophobicContact CG2-CD 4.38Å; T18-K52 HydrophobicContact CG2-CG 4.15Å; I19-K52 PolarHBondContact N-O 3.18Å; Y50-K52 HydrophobicContact CE1-CB 3.94Å; K52-N54 WeakPolarHBondContact CE-OD1 3.29Å; K52-L84 HydrophobicContact CB-CB 4.44Å; K52-L84 HydrophobicContact CB-CD2 4.48Å; K52-L84 HydrophobicContact CD-CD2 4.32Å; K52-L84 HydrophobicContact CG-CD2 3.96Å; K52-T86 HydrophobicContact CG-CG2 4.48Å
53M98Very high96.3Very high0 Ų045.9 Ų45.90%023%0.227CC..EExtended strand (participates in β ladder)trans-105.3113.2174.7-172.6154.680.900111.2I19 Y21 L36 F67 F70 F83 L84 T86I19-M53 HydrophobicContact CD1-CG 4.33Å; I19-M53 HydrophobicContact CD1-SD 3.86Å; I19-M53 HydrophobicContact CG1-CB 4.09Å; I19-M53 HydrophobicContact CG1-CG 4.02Å; I19-M53 HydrophobicContact CG1-SD 4.22Å; Y21-M53 HydrophobicContact CD2-CE 4.12Å; Y21-M53 HydrophobicContact CD2-SD 4.44Å; Y21-M53 HydrophobicContact CG-CE 4.38Å; L36-M53 HydrophobicContact CD2-SD 4.45Å; M53-F67 HydrophobicContact CB-CE1 3.77Å; M53-F67 HydrophobicContact CB-CZ 4.09Å; M53-F67 HydrophobicContact CE-CB 4.12Å; M53-F67 HydrophobicContact CE-CD1 3.52Å; M53-F67 HydrophobicContact CE-CD2 3.51Å; M53-F67 HydrophobicContact CE-CE1 3.68Å; M53-F67 HydrophobicContact CE-CE2 3.71Å; M53-F67 HydrophobicContact CE-CG 3.44Å; M53-F67 VanDerWaalsContact CE-CG 3.44Å; M53-F67 HydrophobicContact CE-CZ 3.78Å; M53-F67 HydrophobicContact CG-CE1 3.92Å; M53-F67 HydrophobicContact CG-CE2 4.37Å; M53-F67 HydrophobicContact CG-CZ 3.76Å; M53-F67 WeakPolarHBondContact O-CE1 3.4Å; M53-F67 WeakPolarHBondContact O-CZ 3.39Å; M53-F70 HydrophobicContact CE-CB 3.81Å; M53-F70 HydrophobicContact CE-CD1 3.92Å; M53-F70 HydrophobicContact CE-CG 4.07Å; M53-F70 HydrophobicContact SD-CB 4.37Å; M53-F70 HydrophobicContact SD-CD1 3.72Å; M53-F70 HydrophobicContact SD-CE1 4.16Å; M53-F70 HydrophobicContact SD-CG 4.01Å; M53-F83 HydrophobicContact CB-CE2 3.64Å; M53-F83 HydrophobicContact CB-CZ 4.13Å; M53-F83 HydrophobicContact CE-CE2 4.39Å; M53-F83 HydrophobicContact CE-CZ 3.77Å; M53-L84 PolarHBondContact N-O 3.28Å; M53-T86 WeakPolarHBondContact O-CB 3.33Å; M53-T86 VanDerWaalsContact O-CG2 3.29Å; M53-T86 WeakPolarHBondContact O-CG2 3.32Å; M53-T86 PolarHBondContact O-OG1 2.79Å
54N96.8Very high96.1Very high24 Ų2447.3 Ų47.313%0.12824%0.236CC..EExtended strand (participates in β ladder)trans-77.8153.8173.7-74.3-25.4000111T18 I19 G20 Y21 K52 T86T18-N54 VanDerWaalsContact CG2-ND2 3.31Å; T18-N54 WeakPolarHBondContact CG2-ND2 3.32Å; I19-N54 PolarHBondContact O-N 3.4Å; G20-N54 CarbonylContact C-O 3.56Å; G20-N54 WeakPolarHBondContact CA-O 3.32Å; Y21-N54 PolarHBondContact N-O 2.75Å; K52-N54 WeakPolarHBondContact CE-OD1 3.29Å; N54-T86 VanDerWaalsContact CA-OG1 3.22Å; N54-T86 WeakPolarHBondContact CA-OG1 3.05Å
55S95.2Very high96Very high2 Ų251.1 Ų51.11%0.01425%0.254CS..  trans-115.315.9-176-35.40000114.3S58 M63 F67 T86 Y87S55-S58 VanDerWaalsContact O-CB 3.25Å; S55-S58 WeakPolarHBondContact O-CB 3.17Å; S55-S58 PolarHBondContact O-OG 2.96Å; S55-M63 WeakPolarHBondContact CB-SD 2.98Å; S55-F67 WeakPolarHBondContact OG-CZ 3.23Å; S55-T86 PolarHBondContact N-OG1 3.22Å; S55-T86 PolarHBondContact OG-OG1 3.25Å; S55-Y87 WeakPolarHBondContact OG-CA 3.49Å; S55-Y87 PolarHBondContact OG-N 3.35Å; S55-Y87 VanDerWaalsContact OG-N 3.11Å
56C94.6Very high96Very high22 Ų2245.3 Ų45.315%0.14923%0.229CC..THydrogen-bonded Turntrans-59.2152172-690000111.3C26 S58 Y90C26-C56 WeakPolarHBondContact CA-SG 2.98Å; C26-C56 HydrophobicContact CB-CB 3.81Å; C26-C56 WeakPolarHBondContact CB-SG 3.33Å; C26-C56 WeakPolarHBondContact SG-CB 3.45Å; C26-C56 CovalentContact SG-SG 2.02Å; C26-C56 PolarHBondContact SG-SG 2.81Å; C56-S58 PolarHBondContact O-N 2.99Å; C56-S58 VanDerWaalsContact O-N 3.11Å; C56-S58 PolarHBondContact O-OG 3.34Å; C56-Y90 PolarHBondContact SG-OH 3.25Å
57N95.3Very high95.9Very high94 Ų9441 Ų4150%0.50321%0.212SC..THydrogen-bonded Turntrans52.433.2177.6-49.2-61.3000113.7G22 T23 G24 T25G22-N57 VanDerWaalsContact CA-O 3.23Å; G22-N57 WeakPolarHBondContact CA-O 3.47Å; T23-N57 PolarHBondContact N-O 3.04Å; T23-N57 VanDerWaalsContact N-O 3.11Å; G24-N57 PolarHBondContact O-ND2 3.3Å; T25-N57 PolarHBondContact O-ND2 3.28Å; T25-N57 VanDerWaalsContact O-ND2 3.12Å
58S94.5Very high95.9Very high15 Ų1541 Ų4111%0.10521%0.212CC..  trans-115.8136.7-178-53.60000109.6Y21 G22 S55 C56 D60Y21-S58 WeakPolarHBondContact CD1-OG 3.45Å; G22-S58 WeakPolarHBondContact CA-OG 3.37Å; G22-S58 PolarHBondContact N-OG 3.44Å; S55-S58 VanDerWaalsContact O-CB 3.25Å; S55-S58 WeakPolarHBondContact O-CB 3.17Å; S55-S58 PolarHBondContact O-OG 2.96Å; C56-S58 PolarHBondContact O-N 2.99Å; C56-S58 VanDerWaalsContact O-N 3.11Å; C56-S58 PolarHBondContact O-OG 3.34Å; S58-D60 PolarHBondContact O-N 3.39Å
59P91Very high95.9Very high50 Ų5046 Ų4633%0.32523%0.234SC..  trans-65.6122168-23.333.6000111.4H61 M62P59-H61 VanDerWaalsContact C-N 3.27Å; P59-H61 PolarHBondContact O-N 3.34Å; P59-H61 VanDerWaalsContact O-N 3.15Å; P59-M62 HydrophobicContact CB-CE 3.81Å; P59-M62 HydrophobicContact CB-CG 4.17Å; P59-M62 HydrophobicContact CB-SD 4.35Å; P59-M62 HydrophobicContact CG-CE 3.42Å; P59-M62 VanDerWaalsContact CG-CE 3.42Å; P59-M62 HydrophobicContact CG-SD 4.36Å; P59-M62 PolarHBondContact O-N 2.64Å
60D90.2Very high95.8Very high101 Ų10144.8 Ų44.854%0.5423%0.227SC..G310 helixtrans-53-42.5-171-66.5-16.6000113.8S58 M62 M63S58-D60 PolarHBondContact O-N 3.39Å; D60-M62 PolarHBondContact O-N 2.65Å; D60-M63 HydrophobicContact CB-CE 4.04Å; D60-M63 PolarHBondContact O-N 2.94Å
61H91.1Very high95.8Very high152 Ų15242.7 Ų42.770%0.70422%0.223SC*.G310 helixtrans-67.3-19-177.266.9-84.9000113.8P59P59-H61 VanDerWaalsContact C-N 3.27Å; P59-H61 PolarHBondContact O-N 3.34Å; P59-H61 VanDerWaalsContact O-N 3.15Å
62M94.1Very high95.8Very high56 Ų5649.5 Ų49.528%0.27625%0.248SC..G310 helixtrans-94-18.6-179.7-56.4-169.4-40.700113Y21 L33 P59 D60 D65 G66Y21-M62 HydrophobicContact CE1-CB 4.47Å; Y21-M62 VanDerWaalsContact OH-CB 3.32Å; Y21-M62 WeakPolarHBondContact OH-CB 3.37Å; Y21-M62 PolarHBondContact OH-O 2.85Å; L33-M62 HydrophobicContact CD1-CE 3.72Å; L33-M62 HydrophobicContact CD2-CE 4.13Å; P59-M62 HydrophobicContact CB-CE 3.81Å; P59-M62 HydrophobicContact CB-CG 4.17Å; P59-M62 HydrophobicContact CB-SD 4.35Å; P59-M62 HydrophobicContact CG-CE 3.42Å; P59-M62 VanDerWaalsContact CG-CE 3.42Å; P59-M62 HydrophobicContact CG-SD 4.36Å; P59-M62 PolarHBondContact O-N 2.64Å; D60-M62 PolarHBondContact O-N 2.65Å; M62-D65 PolarHBondContact O-N 2.79Å; M62-G66 PolarHBondContact O-N 2.76Å
63M95Very high95.8Very high6 Ų648.2 Ų48.23%0.0324%0.244CC..Hα-helixtrans-58.9-45.1-172.4-55-174.9-71.900113.3Y21 S55 D60 D65 G66 F67 Y87Y21-M63 HydrophobicContact CD1-CB 4.39Å; Y21-M63 HydrophobicContact CD1-CG 4Å; Y21-M63 HydrophobicContact CE1-CB 4.24Å; Y21-M63 HydrophobicContact CE1-CG 3.93Å; S55-M63 WeakPolarHBondContact CB-SD 2.98Å; D60-M63 HydrophobicContact CB-CE 4.04Å; D60-M63 PolarHBondContact O-N 2.94Å; M63-D65 VanDerWaalsContact C-N 3.34Å; M63-D65 PolarHBondContact O-N 3.09Å; M63-G66 PolarHBondContact O-N 3.14Å; M63-F67 HydrophobicContact CB-CD2 4.28Å; M63-F67 HydrophobicContact CB-CE2 4.33Å; M63-F67 WeakPolarHBondContact O-CB 3.45Å; M63-F67 WeakPolarHBondContact O-CD2 3.32Å; M63-F67 PolarHBondContact O-N 2.86Å; M63-Y87 HydrophobicContact CB-CD2 4.48Å; M63-Y87 HydrophobicContact CB-CG 4.11Å
64P95.1Very high95.9Very high34 Ų3448.5 Ų48.522%0.22125%0.246CC..Hα-helixtrans-57-46.2178.7-27.438.2000112.9E68 Y87 R104P64-E68 PolarHBondContact O-N 2.91Å; P64-E68 VanDerWaalsContact O-N 3.14Å; P64-Y87 HydrophobicContact CB-CE2 4.46Å; P64-Y87 HydrophobicContact CG-CD2 4.36Å; P64-Y87 HydrophobicContact CG-CE2 4Å; P64-R104 VanDerWaalsContact C-CZ 3.4Å; P64-R104 PolarHBondContact O-NH2 2.99Å
65D96.3Very high96Very high98 Ų9853.8 Ų53.852%0.52427%0.274SS..Hα-helixtrans-69-39.5178.5-67.2-12.2000112.6M62 M63 K69 R104M62-D65 PolarHBondContact O-N 2.79Å; M63-D65 VanDerWaalsContact C-N 3.34Å; M63-D65 PolarHBondContact O-N 3.09Å; D65-K69 VanDerWaalsContact O-CB 3.26Å; D65-K69 WeakPolarHBondContact O-CB 3.3Å; D65-K69 PolarHBondContact O-N 3.01Å; D65-R104 IonicContact OD1-CZ 3.12Å; D65-R104 IonicContact OD1-NH1 2.76Å; D65-R104 PolarHBondContact OD1-NH1 2.68Å; D65-R104 IonicContact OD1-NH2 2.68Å; D65-R104 PolarHBondContact OD1-NH2 3.32Å
66G97.2Very high96.1Very high5 Ų557 Ų575%0.05231%0.307CS..Hα-helixtrans-64-44.7177.500000113.3Y21 M62 M63 K69 F70Y21-G66 VanDerWaalsContact CE2-CA 3.44Å; M62-G66 PolarHBondContact O-N 2.76Å; M63-G66 PolarHBondContact O-N 3.14Å; G66-K69 PolarHBondContact O-N 3.42Å; G66-F70 WeakPolarHBondContact O-CB 3.44Å; G66-F70 PolarHBondContact O-N 2.99Å
67F97.8Very high96.3Very high1 Ų157.9 Ų57.90%0.00431%0.312CS..Hα-helixtrans-68.2-41.1178.1-82.8-111.5000111.7Y21 M53 S55 M63 F70 S71 F83 C85 Y87Y21-F67 HydrophobicContact CD1-CD2 4.35Å; Y21-F67 AromaticContact CD1-CE2 3.93Å; Y21-F67 HydrophobicContact CD1-CE2 3.93Å; Y21-F67 HydrophobicContact CD2-CD2 4.49Å; Y21-F67 HydrophobicContact CD2-CE2 4.47Å; Y21-F67 HydrophobicContact CG-CD2 4.14Å; Y21-F67 AromaticContact CG-CE2 3.73Å; Y21-F67 HydrophobicContact CG-CE2 3.73Å; M53-F67 HydrophobicContact CB-CE1 3.77Å; M53-F67 HydrophobicContact CB-CZ 4.09Å; M53-F67 HydrophobicContact CE-CB 4.12Å; M53-F67 HydrophobicContact CE-CD1 3.52Å; M53-F67 HydrophobicContact CE-CD2 3.51Å; M53-F67 HydrophobicContact CE-CE1 3.68Å; M53-F67 HydrophobicContact CE-CE2 3.71Å; M53-F67 HydrophobicContact CE-CG 3.44Å; M53-F67 VanDerWaalsContact CE-CG 3.44Å; M53-F67 HydrophobicContact CE-CZ 3.78Å; M53-F67 HydrophobicContact CG-CE1 3.92Å; M53-F67 HydrophobicContact CG-CE2 4.37Å; M53-F67 HydrophobicContact CG-CZ 3.76Å; M53-F67 WeakPolarHBondContact O-CE1 3.4Å; M53-F67 WeakPolarHBondContact O-CZ 3.39Å; S55-F67 WeakPolarHBondContact OG-CZ 3.23Å; M63-F67 HydrophobicContact CB-CD2 4.28Å; M63-F67 HydrophobicContact CB-CE2 4.33Å; M63-F67 WeakPolarHBondContact O-CB 3.45Å; M63-F67 WeakPolarHBondContact O-CD2 3.32Å; M63-F67 PolarHBondContact O-N 2.86Å; F67-F70 PolarHBondContact O-N 3.5Å; F67-S71 PolarHBondContact O-N 2.84Å; F67-F83 HydrophobicContact CD1-CE1 4.38Å; F67-F83 AromaticContact CD1-CZ 3.8Å; F67-F83 HydrophobicContact CD1-CZ 3.8Å; F67-F83 HydrophobicContact CE1-CZ 4.38Å; F67-C85 HydrophobicContact CD1-CB 3.74Å; F67-C85 HydrophobicContact CE1-CB 4.02Å; F67-Y87 HydrophobicContact CB-CD1 3.95Å; F67-Y87 HydrophobicContact CB-CE1 4.17Å; F67-Y87 AromaticContact CD1-CD1 3.89Å; F67-Y87 HydrophobicContact CD1-CD1 3.89Å; F67-Y87 AromaticContact CD2-CD1 3.97Å; F67-Y87 HydrophobicContact CD2-CD1 3.97Å; F67-Y87 HydrophobicContact CD2-CG 4.47Å; F67-Y87 HydrophobicContact CE1-CD1 4.4Å; F67-Y87 HydrophobicContact CE2-CD1 4.44Å; F67-Y87 AromaticContact CG-CD1 3.65Å; F67-Y87 HydrophobicContact CG-CD1 3.65Å; F67-Y87 HydrophobicContact CG-CE1 4.35Å
68E97.9Very high96.5Very high43 Ų4356.6 Ų56.620%0.20132%0.322CS..Hα-helixtrans-62.8-44.7172.5175.2176.1149.500111.9P64 F70 S71 R72 R104P64-E68 PolarHBondContact O-N 2.91Å; P64-E68 VanDerWaalsContact O-N 3.14Å; E68-F70 VanDerWaalsContact C-N 3.3Å; E68-F70 PolarHBondContact O-N 3.34Å; E68-S71 WeakPolarHBondContact O-CB 3.21Å; E68-S71 PolarHBondContact O-N 2.92Å; E68-R72 PolarHBondContact O-N 2.87Å; E68-R72 IonicContact OE1-CZ 3.42Å; E68-R72 IonicContact OE1-NH1 2.69Å; E68-R72 PolarHBondContact OE1-NH1 3.45Å; E68-R72 IonicContact OE1-NH2 3.61Å; E68-R104 IonicContact OE2-CZ 2.75Å; E68-R104 IonicContact OE2-NE 3.66Å; E68-R104 PolarHBondContact OE2-NE 3.32Å; E68-R104 IonicContact OE2-NH2 3.77Å; E68-R104 PolarHBondContact OE2-NH2 3.03Å
69K98.3Very high96.6Very high106 Ų10659 Ų5946%0.46133%0.328SS..Hα-helixtrans-56.6-46.4174.7177.4178.1173.8-175.50110.7L36 D65 G66 R72 L73L36-K69 HydrophobicContact CD1-CD 3.95Å; L36-K69 HydrophobicContact CD1-CG 4.27Å; D65-K69 VanDerWaalsContact O-CB 3.26Å; D65-K69 WeakPolarHBondContact O-CB 3.3Å; D65-K69 PolarHBondContact O-N 3.01Å; G66-K69 PolarHBondContact O-N 3.42Å; K69-R72 PolarHBondContact O-N 3.26Å; K69-L73 HydrophobicContact CG-CD1 3.93Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.22Å; K69-L73 PolarHBondContact O-N 3.04Å
70F98.6Very high97Very high0 Ų062.2 Ų62.20%035%0.349CS..Hα-helixtrans-66.6-39.1179.9-167.4-114.4000112.7I19 L36 D39 A40 L43 V51 M53 G66 F67 E68 R72 L73 L74 F83I19-F70 HydrophobicContact CD1-CD1 4.4Å; I19-F70 HydrophobicContact CD1-CE1 3.53Å; I19-F70 HydrophobicContact CD1-CE2 3.97Å; I19-F70 HydrophobicContact CD1-CZ 3.27Å; L36-F70 HydrophobicContact CB-CD2 4.05Å; L36-F70 HydrophobicContact CD2-CB 4.31Å; L36-F70 HydrophobicContact CD2-CD2 3.8Å; L36-F70 HydrophobicContact CD2-CE2 4.49Å; L36-F70 HydrophobicContact CD2-CG 4.25Å; L36-F70 HydrophobicContact CG-CD2 4.47Å; L36-F70 WeakPolarHBondContact O-CE2 3.37Å; D39-F70 HydrophobicContact CB-CE2 4.47Å; A40-F70 HydrophobicContact CB-CD2 4.49Å; A40-F70 HydrophobicContact CB-CE2 3.92Å; L43-F70 HydrophobicContact CD1-CZ 3.83Å; V51-F70 HydrophobicContact CG1-CE1 3.91Å; V51-F70 HydrophobicContact CG1-CZ 4.41Å; M53-F70 HydrophobicContact CE-CB 3.81Å; M53-F70 HydrophobicContact CE-CD1 3.92Å; M53-F70 HydrophobicContact CE-CG 4.07Å; M53-F70 HydrophobicContact SD-CB 4.37Å; M53-F70 HydrophobicContact SD-CD1 3.72Å; M53-F70 HydrophobicContact SD-CE1 4.16Å; M53-F70 HydrophobicContact SD-CG 4.01Å; G66-F70 WeakPolarHBondContact O-CB 3.44Å; G66-F70 PolarHBondContact O-N 2.99Å; F67-F70 PolarHBondContact O-N 3.5Å; E68-F70 VanDerWaalsContact C-N 3.3Å; E68-F70 PolarHBondContact O-N 3.34Å; F70-R72 VanDerWaalsContact C-N 3.34Å; F70-R72 PolarHBondContact O-N 3.49Å; F70-L73 PolarHBondContact O-N 3.23Å; F70-L73 VanDerWaalsContact O-N 3.12Å; F70-L74 HydrophobicContact CD1-CD1 3.88Å; F70-L74 HydrophobicContact CD1-CG 4.1Å; F70-L74 HydrophobicContact CE1-CD1 3.64Å; F70-L74 HydrophobicContact CE1-CD2 3.91Å; F70-L74 HydrophobicContact CE1-CG 3.81Å; F70-L74 HydrophobicContact CE2-CD2 4.44Å; F70-L74 HydrophobicContact CZ-CD1 4.36Å; F70-L74 HydrophobicContact CZ-CD2 3.78Å; F70-L74 HydrophobicContact CZ-CG 4.07Å; F70-L74 WeakPolarHBondContact O-CG 3.25Å; F70-L74 PolarHBondContact O-N 2.01Å; F70-F83 HydrophobicContact CD1-CD2 4.46Å; F70-F83 HydrophobicContact CD1-CE1 4.38Å; F70-F83 AromaticContact CD1-CE2 3.72Å; F70-F83 HydrophobicContact CD1-CE2 3.72Å; F70-F83 AromaticContact CD1-CZ 3.68Å; F70-F83 HydrophobicContact CD1-CZ 3.68Å; F70-F83 HydrophobicContact CE1-CE2 4.06Å; F70-F83 HydrophobicContact CE1-CZ 4.47Å
71S98.6Very high97.4Very high23 Ų2358.3 Ų58.316%0.16133%0.328CS..Hα-helixtrans-56.1-46.8172.4-176.40000111.9F67 E68 L73 L74 N75 N108F67-S71 PolarHBondContact O-N 2.84Å; E68-S71 WeakPolarHBondContact O-CB 3.21Å; E68-S71 PolarHBondContact O-N 2.92Å; S71-L73 VanDerWaalsContact C-N 3.34Å; S71-L73 PolarHBondContact O-N 3.23Å; S71-L74 PolarHBondContact O-N 2.87Å; S71-N75 PolarHBondContact O-N 2.75Å; S71-N108 VanDerWaalsContact CB-O 3.23Å; S71-N108 WeakPolarHBondContact CB-O 3.21Å; S71-N108 PolarHBondContact OG-O 2.94Å
72R98.6Very high97.7Very high143 Ų14355.4 Ų55.454%0.5432%0.316SS..Hα-helixtrans-60.9-40.9174-70.7-171.3-71.8-123-6.8112.8E68 K69 F70 N75 G76E68-R72 PolarHBondContact O-N 2.87Å; E68-R72 IonicContact OE1-CZ 3.42Å; E68-R72 IonicContact OE1-NH1 2.69Å; E68-R72 PolarHBondContact OE1-NH1 3.45Å; E68-R72 IonicContact OE1-NH2 3.61Å; K69-R72 PolarHBondContact O-N 3.26Å; F70-R72 VanDerWaalsContact C-N 3.34Å; F70-R72 PolarHBondContact O-N 3.49Å; R72-N75 PolarHBondContact O-N 3.12Å; R72-G76 PolarHBondContact O-N 2.82Å
73L98.7Very high98Very high38 Ų3852.9 Ų52.920%0.19930%0.303CS..Hα-helixtrans-66.8-42.1179-71166.4000111.9L36 E37 A40 K69 F70 S71 G76 T77L36-L73 HydrophobicContact CB-CD1 3.68Å; E37-L73 HydrophobicContact CB-CD1 4.17Å; E37-L73 HydrophobicContact CB-CD2 3.88Å; E37-L73 HydrophobicContact CG-CD2 3.93Å; A40-L73 HydrophobicContact CB-CB 3.74Å; K69-L73 HydrophobicContact CG-CD1 3.93Å; K69-L73 VanDerWaalsContact O-CG 3.28Å; K69-L73 WeakPolarHBondContact O-CG 3.22Å; K69-L73 PolarHBondContact O-N 3.04Å; F70-L73 PolarHBondContact O-N 3.23Å; F70-L73 VanDerWaalsContact O-N 3.12Å; S71-L73 VanDerWaalsContact C-N 3.34Å; S71-L73 PolarHBondContact O-N 3.23Å; L73-G76 PolarHBondContact O-N 3.23Å; L73-T77 WeakPolarHBondContact O-CG2 3.39Å; L73-T77 PolarHBondContact O-N 2.86Å
74L98.8Very high98.1Very high6 Ų653.7 Ų53.73%0.03131%0.307CS..Hα-helixtrans-58.5-49.5173.3-70.5175.8000110.8A40 L43 V51 F70 S71 G76 T77 M81 F83A40-L74 HydrophobicContact CB-CD2 4.26Å; L43-L74 HydrophobicContact CD1-CD2 4.31Å; V51-L74 HydrophobicContact CG2-CD2 4.23Å; F70-L74 HydrophobicContact CD1-CD1 3.88Å; F70-L74 HydrophobicContact CD1-CG 4.1Å; F70-L74 HydrophobicContact CE1-CD1 3.64Å; F70-L74 HydrophobicContact CE1-CD2 3.91Å; F70-L74 HydrophobicContact CE1-CG 3.81Å; F70-L74 HydrophobicContact CE2-CD2 4.44Å; F70-L74 HydrophobicContact CZ-CD1 4.36Å; F70-L74 HydrophobicContact CZ-CD2 3.78Å; F70-L74 HydrophobicContact CZ-CG 4.07Å; F70-L74 WeakPolarHBondContact O-CG 3.25Å; F70-L74 PolarHBondContact O-N 2.01Å; S71-L74 PolarHBondContact O-N 2.87Å; L74-G76 VanDerWaalsContact C-N 3.29Å; L74-G76 PolarHBondContact O-N 2.79Å; L74-T77 WeakPolarHBondContact O-CB 2.99Å; L74-T77 PolarHBondContact O-N 3.19Å; L74-T77 VanDerWaalsContact O-N 3.14Å; L74-T77 PolarHBondContact O-OG1 2.86Å; L74-M81 HydrophobicContact CB-CE 4.11Å; L74-M81 HydrophobicContact CD2-CE 3.52Å; L74-M81 HydrophobicContact CD2-SD 3.81Å; L74-M81 HydrophobicContact CG-CE 4.42Å; L74-F83 HydrophobicContact CD1-CB 4.09Å; L74-F83 HydrophobicContact CD1-CD1 4.34Å; L74-F83 HydrophobicContact CD1-CD2 3.95Å; L74-F83 HydrophobicContact CD1-CE2 4.5Å; L74-F83 HydrophobicContact CD1-CG 3.88Å
75N98.4Very high98.2Very high134 Ų13452 Ų5272%0.71730%0.297SS*.Hα-helixtrans-60-40.5176.7-171.533.4000111.9S71 R72 T77 G78S71-N75 PolarHBondContact O-N 2.75Å; R72-N75 PolarHBondContact O-N 3.12Å; N75-T77 PolarHBondContact O-N 3.14Å; N75-T77 VanDerWaalsContact O-N 3.12Å; N75-G78 PolarHBondContact O-N 2.88Å
76G98.5Very high98.3Very high69 Ų6947.4 Ų47.471%0.71127%0.272SS*.Hα-helixtrans-63-14.6177.700000115R72 L73 L74 G78R72-G76 PolarHBondContact O-N 2.82Å; L73-G76 PolarHBondContact O-N 3.23Å; L74-G76 VanDerWaalsContact C-N 3.29Å; L74-G76 PolarHBondContact O-N 2.79Å; G76-G78 VanDerWaalsContact C-N 3.3Å
77T98.7Very high98.1Very high41 Ų4147.7 Ų47.725%0.25227%0.271SS..THydrogen-bonded Turntrans-76.2-17173.671.90000113.6A40 A44 L73 L74 N75 R79 M81A40-T77 HydrophobicContact CB-CG2 4.28Å; A40-T77 WeakPolarHBondContact O-CG2 3.37Å; A44-T77 HydrophobicContact CB-CG2 3.8Å; L73-T77 WeakPolarHBondContact O-CG2 3.39Å; L73-T77 PolarHBondContact O-N 2.86Å; L74-T77 WeakPolarHBondContact O-CB 2.99Å; L74-T77 PolarHBondContact O-N 3.19Å; L74-T77 VanDerWaalsContact O-N 3.14Å; L74-T77 PolarHBondContact O-OG1 2.86Å; N75-T77 PolarHBondContact O-N 3.14Å; N75-T77 VanDerWaalsContact O-N 3.12Å; T77-R79 PolarHBondContact O-N 2.87Å; T77-R79 PolarHBondContact OG1-N 3.42Å; T77-M81 HydrophobicContact CG2-CE 4.22Å; T77-M81 VanDerWaalsContact OG1-CE 3.25Å; T77-M81 WeakPolarHBondContact OG1-CE 3.39Å
78G98.4Very high97.9Very high68 Ų6847.6 Ų47.670%0.70127%0.271SS*.SBendtrans75.2-3.1-174.400000114.8N75 G76N75-G78 PolarHBondContact O-N 2.88Å; G76-G78 VanDerWaalsContact C-N 3.3Å
79R98.3Very high97.5Very high66 Ų6647.5 Ų47.525%0.24927%0.272CS..SBendtrans-93.5122.8172.7-176.5178.2-17980.31.9110A44 E47 V48 D49 T77 M81A44-R79 HydrophobicContact CB-CB 4.11Å; E47-R79 VanDerWaalsContact C-CZ 3.45Å; E47-R79 VanDerWaalsContact C-NE 3.28Å; E47-R79 VanDerWaalsContact C-NH2 3.28Å; E47-R79 VanDerWaalsContact CA-CZ 3.41Å; E47-R79 PolarHBondContact O-NH2 3.24Å; V48-R79 WeakPolarHBondContact O-CD 3.43Å; V48-R79 PolarHBondContact O-NE 2.86Å; D49-R79 IonicContact OD1-CZ 3.62Å; D49-R79 IonicContact OD1-NH2 2.69Å; D49-R79 PolarHBondContact OD1-NH2 2.94Å; T77-R79 PolarHBondContact O-N 2.87Å; T77-R79 PolarHBondContact OG1-N 3.42Å; R79-M81 HydrophobicContact CB-CE 4.32Å; R79-M81 HydrophobicContact CG-CG 4.34Å; R79-M81 PolarHBondContact O-N 3.01Å
80P98.2Very high96.8Very high116 Ų11646.2 Ų46.275%0.75327%0.265SS*.  trans-60.2120.3170.9-23.234.2000110.8
81M98.6Very high96Very high20 Ų2048 Ų4810%0.09928%0.283CS..  trans-132.8122.5177.3-75.3178-78.700109L43 A44 V48 D49 V51 L74 T77 R79 F83L43-M81 HydrophobicContact CB-SD 4.14Å; A44-M81 HydrophobicContact CB-CE 4.08Å; V48-M81 VanDerWaalsContact O-CG 3.23Å; V48-M81 WeakPolarHBondContact O-CG 3.32Å; D49-M81 CarbonylContact O-C 3.48Å; D49-M81 WeakPolarHBondContact O-CA 3.48Å; V51-M81 HydrophobicContact CG2-CB 4.41Å; V51-M81 HydrophobicContact CG2-SD 4.19Å; L74-M81 HydrophobicContact CB-CE 4.11Å; L74-M81 HydrophobicContact CD2-CE 3.52Å; L74-M81 HydrophobicContact CD2-SD 3.81Å; L74-M81 HydrophobicContact CG-CE 4.42Å; T77-M81 HydrophobicContact CG2-CE 4.22Å; T77-M81 VanDerWaalsContact OG1-CE 3.25Å; T77-M81 WeakPolarHBondContact OG1-CE 3.39Å; R79-M81 HydrophobicContact CB-CE 4.32Å; R79-M81 HydrophobicContact CG-CG 4.34Å; R79-M81 PolarHBondContact O-N 3.01Å; M81-F83 PolarHBondContact O-N 3Å
82M98.4Very high95.4Very high91 Ų9150.2 Ų50.245%0.44830%0.298SS..EExtended strand (participates in β ladder)trans-69.9129.5173.7-178.8179.1-70.200109.6D49 Y50 V51 N110 L111D49-M82 PolarHBondContact O-N 2.62Å; Y50-M82 CarbonylContact C-O 3.59Å; Y50-M82 WeakPolarHBondContact CA-O 3.44Å; Y50-M82 HydrophobicContact CD2-CB 3.83Å; Y50-M82 HydrophobicContact CD2-CG 3.75Å; Y50-M82 HydrophobicContact CD2-SD 3.61Å; Y50-M82 HydrophobicContact CE2-CG 4.02Å; Y50-M82 HydrophobicContact CE2-SD 3.72Å; V51-M82 PolarHBondContact N-O 3.2Å; M82-N110 WeakPolarHBondContact CA-OD1 3.28Å; M82-N110 HydrophobicContact CG-CB 3.74Å; M82-L111 HydrophobicContact SD-CD1 4.13Å
83F98.7Very high95Very high3 Ų343.6 Ų43.61%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-114.8116.2-174.1-175-144.7000112.9V51 M53 F67 F70 L74 M81 C85 N108 N110 L111V51-F83 HydrophobicContact CB-CD2 4.32Å; M53-F83 HydrophobicContact CB-CE2 3.64Å; M53-F83 HydrophobicContact CB-CZ 4.13Å; M53-F83 HydrophobicContact CE-CE2 4.39Å; M53-F83 HydrophobicContact CE-CZ 3.77Å; F67-F83 HydrophobicContact CD1-CE1 4.38Å; F67-F83 AromaticContact CD1-CZ 3.8Å; F67-F83 HydrophobicContact CD1-CZ 3.8Å; F67-F83 HydrophobicContact CE1-CZ 4.38Å; F70-F83 HydrophobicContact CD1-CD2 4.46Å; F70-F83 HydrophobicContact CD1-CE1 4.38Å; F70-F83 AromaticContact CD1-CE2 3.72Å; F70-F83 HydrophobicContact CD1-CE2 3.72Å; F70-F83 AromaticContact CD1-CZ 3.68Å; F70-F83 HydrophobicContact CD1-CZ 3.68Å; F70-F83 HydrophobicContact CE1-CE2 4.06Å; F70-F83 HydrophobicContact CE1-CZ 4.47Å; L74-F83 HydrophobicContact CD1-CB 4.09Å; L74-F83 HydrophobicContact CD1-CD1 4.34Å; L74-F83 HydrophobicContact CD1-CD2 3.95Å; L74-F83 HydrophobicContact CD1-CE2 4.5Å; L74-F83 HydrophobicContact CD1-CG 3.88Å; M81-F83 PolarHBondContact O-N 3Å; F83-C85 WeakPolarHBondContact CE1-SG 3.14Å; F83-N108 WeakPolarHBondContact CD1-O 3.45Å; F83-N110 PolarHBondContact N-OD1 2.87Å; F83-N110 PolarHBondContact O-N 2.86Å; F83-L111 PolarHBondContact O-N 2.87Å
84L98.4Very high94.7Very high22 Ų2246.1 Ų46.112%0.11528%0.281CS..EExtended strand (participates in β ladder)trans-98.5121.2172.9-173.9153.9000111.4Y50 V51 K52 M53 T86 L111 R113Y50-L84 HydrophobicContact CE1-CB 4.49Å; Y50-L84 HydrophobicContact CE2-CB 4.36Å; Y50-L84 WeakPolarHBondContact OH-CB 3.37Å; Y50-L84 WeakPolarHBondContact OH-CD1 3.44Å; V51-L84 PolarHBondContact O-N 2.9Å; K52-L84 HydrophobicContact CB-CB 4.44Å; K52-L84 HydrophobicContact CB-CD2 4.48Å; K52-L84 HydrophobicContact CD-CD2 4.32Å; K52-L84 HydrophobicContact CG-CD2 3.96Å; M53-L84 PolarHBondContact N-O 3.28Å; L84-T86 HydrophobicContact CD2-CG2 3.6Å; L84-L111 CarbonylContact C-O 3.44Å; L84-L111 VanDerWaalsContact CA-O 3.32Å; L84-L111 WeakPolarHBondContact CA-O 3.21Å; L84-L111 HydrophobicContact CB-CB 4.16Å; L84-L111 HydrophobicContact CD1-CB 3.94Å; L84-L111 HydrophobicContact CD1-CD1 4.35Å; L84-L111 HydrophobicContact CG-CB 3.96Å; L84-R113 HydrophobicContact CD2-CB 4.12Å
85C97.8Very high94.4Very high0 Ų049.8 Ų49.80%031%0.312CS..EExtended strand (participates in β ladder)trans-99.4138.8-179.4-61.90000112.4F67 F83 L105 C109 L111 I112 R113F67-C85 HydrophobicContact CD1-CB 3.74Å; F67-C85 HydrophobicContact CE1-CB 4.02Å; F83-C85 WeakPolarHBondContact CE1-SG 3.14Å; C85-L105 HydrophobicContact CB-CD2 4.3Å; C85-C109 HydrophobicContact CB-CB 3.73Å; C85-C109 WeakPolarHBondContact CB-SG 3.48Å; C85-C109 WeakPolarHBondContact SG-CB 3.35Å; C85-C109 CovalentContact SG-SG 2.01Å; C85-C109 PolarHBondContact SG-SG 2.78Å; C85-L111 PolarHBondContact N-O 3.38Å; C85-I112 HydrophobicContact CB-CG2 4.39Å; C85-I112 WeakPolarHBondContact O-CA 3.35Å; C85-R113 PolarHBondContact O-N 2.86Å
86T96.6Very high94.1Very high0 Ų048.6 Ų48.60%030%0.3CS..  trans-121.2-3.6-177.468.40000114.5K52 M53 N54 S55 L84 P88 L89 R113K52-T86 HydrophobicContact CG-CG2 4.48Å; M53-T86 WeakPolarHBondContact O-CB 3.33Å; M53-T86 VanDerWaalsContact O-CG2 3.29Å; M53-T86 WeakPolarHBondContact O-CG2 3.32Å; M53-T86 PolarHBondContact O-OG1 2.79Å; N54-T86 VanDerWaalsContact CA-OG1 3.22Å; N54-T86 WeakPolarHBondContact CA-OG1 3.05Å; S55-T86 PolarHBondContact N-OG1 3.22Å; S55-T86 PolarHBondContact OG-OG1 3.25Å; L84-T86 HydrophobicContact CD2-CG2 3.6Å; T86-P88 VanDerWaalsContact C-N 3.33Å; T86-L89 WeakPolarHBondContact O-CB 3.15Å; T86-L89 PolarHBondContact O-N 2.54Å; T86-R113 HydrophobicContact CG2-CB 4.17Å
87Y94.5Very high93.9Very high11 Ų1146.7 Ų46.74%0.04328%0.276CS..G310 helixtrans-61.7-29-176.982.6-103.9000115.3S55 M63 P64 F67 L89 Y90 I100 L105S55-Y87 WeakPolarHBondContact OG-CA 3.49Å; S55-Y87 PolarHBondContact OG-N 3.35Å; S55-Y87 VanDerWaalsContact OG-N 3.11Å; M63-Y87 HydrophobicContact CB-CD2 4.48Å; M63-Y87 HydrophobicContact CB-CG 4.11Å; P64-Y87 HydrophobicContact CB-CE2 4.46Å; P64-Y87 HydrophobicContact CG-CD2 4.36Å; P64-Y87 HydrophobicContact CG-CE2 4Å; F67-Y87 HydrophobicContact CB-CD1 3.95Å; F67-Y87 HydrophobicContact CB-CE1 4.17Å; F67-Y87 AromaticContact CD1-CD1 3.89Å; F67-Y87 HydrophobicContact CD1-CD1 3.89Å; F67-Y87 AromaticContact CD2-CD1 3.97Å; F67-Y87 HydrophobicContact CD2-CD1 3.97Å; F67-Y87 HydrophobicContact CD2-CG 4.47Å; F67-Y87 HydrophobicContact CE1-CD1 4.4Å; F67-Y87 HydrophobicContact CE2-CD1 4.44Å; F67-Y87 AromaticContact CG-CD1 3.65Å; F67-Y87 HydrophobicContact CG-CD1 3.65Å; F67-Y87 HydrophobicContact CG-CE1 4.35Å; Y87-L89 PolarHBondContact O-N 3.27Å; Y87-Y90 PolarHBondContact O-N 3.34Å; Y87-Y90 VanDerWaalsContact O-N 3.07Å; Y87-I100 HydrophobicContact CE2-CD1 4.17Å; Y87-L105 HydrophobicContact CD1-CD2 4.13Å; Y87-L105 HydrophobicContact CE1-CD2 3.25Å; Y87-L105 HydrophobicContact CE1-CG 4.19Å; Y87-L105 HydrophobicContact CE2-CD2 4.4Å; Y87-L105 VanDerWaalsContact CZ-CD2 3.41Å; Y87-L105 WeakPolarHBondContact OH-CD2 3.32Å; Y87-L105 VanDerWaalsContact OH-CG 3.29Å; Y87-L105 WeakPolarHBondContact OH-CG 3.08Å
88P92.6Very high93.6Very high0 Ų051.2 Ų51.20%029%0.294CS..G310 helixtrans-54-33.7177.5-29.638.3000111.4T86 Y90 G91 L105T86-P88 VanDerWaalsContact C-N 3.33Å; P88-Y90 PolarHBondContact O-N 3.12Å; P88-Y90 VanDerWaalsContact O-N 3.16Å; P88-G91 PolarHBondContact O-N 3.49Å; P88-G91 VanDerWaalsContact O-N 3.1Å; P88-L105 HydrophobicContact CG-CD1 3.55Å; P88-L105 HydrophobicContact CG-CD2 3.93Å; P88-L105 HydrophobicContact CG-CG 4.38Å
89L90.8Very high93.2Very high41 Ų4153 Ų5322%0.21529%0.287CS..G310 helixtrans-66.3-17-175.4-150-106.7000115T86 Y87 R113 A114 L115T86-L89 WeakPolarHBondContact O-CB 3.15Å; T86-L89 PolarHBondContact O-N 2.54Å; Y87-L89 PolarHBondContact O-N 3.27Å; L89-R113 VanDerWaalsContact CG-CZ 3.41Å; L89-R113 VanDerWaalsContact CG-NE 3.29Å; L89-A114 WeakPolarHBondContact CD2-O 3.44Å; L89-L115 VanDerWaalsContact CD2-O 3.28Å; L89-L115 WeakPolarHBondContact CD2-O 3.38Å
90Y83.3Confident92.9Very high79 Ų7950.8 Ų50.831%0.3128%0.28SS..G310 helixtrans-102.60.3179.1-66.6-96.5000112.5C56 Y87 P88C56-Y90 PolarHBondContact SG-OH 3.25Å; Y87-Y90 PolarHBondContact O-N 3.34Å; Y87-Y90 VanDerWaalsContact O-N 3.07Å; P88-Y90 PolarHBondContact O-N 3.12Å; P88-Y90 VanDerWaalsContact O-N 3.16Å
91G80.4Confident92.8Very high37 Ų3749.6 Ų49.638%0.38127%0.267SS..SBendtrans-99169.5173.400000113.1P88 W93P88-G91 PolarHBondContact O-N 3.49Å; P88-G91 VanDerWaalsContact O-N 3.1Å; G91-W93 PolarHBondContact O-N 3.11Å; G91-W93 VanDerWaalsContact O-N 3.1Å
92S86Confident92.6Very high69 Ų6950.2 Ų50.248%0.48327%0.268SS..G310 helixtrans-79.721.6172.852.60000113.3Y94 A95 K96 L99S92-Y94 PolarHBondContact O-N 3.11Å; S92-Y94 VanDerWaalsContact O-N 3.09Å; S92-A95 PolarHBondContact O-N 2.99Å; S92-K96 PolarHBondContact O-N 3.04Å; S92-L99 VanDerWaalsContact OG-CD1 3.28Å; S92-L99 WeakPolarHBondContact OG-CD1 3.26Å
93W91.2Very high92.5Very high5 Ų551.4 Ų51.42%0.01927%0.271CS..G310 helixtrans-56.1-33.1-174.284.9-83.8000113G91 A95 K96 P97 I100 W102 A114 L115 R135 L139G91-W93 PolarHBondContact O-N 3.11Å; G91-W93 VanDerWaalsContact O-N 3.1Å; W93-A95 VanDerWaalsContact C-N 3.25Å; W93-A95 PolarHBondContact O-N 2.92Å; W93-K96 WeakPolarHBondContact CA-O 3.4Å; W93-K96 CarbonylContact O-C 3.25Å; W93-K96 VanDerWaalsContact O-C 3.25Å; W93-K96 PolarHBondContact O-N 2.66Å; W93-P97 WeakPolarHBondContact O-CA 3.35Å; W93-I100 HydrophobicContact CB-CB 4.4Å; W93-I100 HydrophobicContact CB-CD1 4.06Å; W93-I100 HydrophobicContact CB-CG1 3.24Å; W93-I100 HydrophobicContact CG-CG1 4.18Å; W93-W102 AromaticContact CD2-CH2 3.86Å; W93-W102 HydrophobicContact CD2-CH2 3.86Å; W93-W102 HydrophobicContact CD2-CZ2 4.08Å; W93-W102 AromaticContact CE3-CH2 3.42Å; W93-W102 HydrophobicContact CE3-CH2 3.42Å; W93-W102 VanDerWaalsContact CE3-CH2 3.42Å; W93-W102 AromaticContact CE3-CZ2 3.41Å; W93-W102 HydrophobicContact CE3-CZ2 3.41Å; W93-W102 VanDerWaalsContact CE3-CZ2 3.41Å; W93-W102 HydrophobicContact CH2-CH2 4.46Å; W93-W102 AromaticContact CZ3-CH2 3.74Å; W93-W102 HydrophobicContact CZ3-CH2 3.74Å; W93-W102 AromaticContact CZ3-CZ2 3.97Å; W93-W102 HydrophobicContact CZ3-CZ2 3.97Å; W93-A114 VanDerWaalsContact CE2-O 3.25Å; W93-A114 HydrophobicContact CH2-CB 4.07Å; W93-A114 HydrophobicContact CZ2-CB 3.68Å; W93-A114 WeakPolarHBondContact CZ2-O 3.47Å; W93-A114 PolarHBondContact NE1-O 3.18Å; W93-L115 HydrophobicContact CH2-CD2 4.39Å; W93-L115 HydrophobicContact CZ2-CD2 3.98Å; W93-R135 HydrophobicContact CH2-CB 4.13Å; W93-R135 HydrophobicContact CH2-CG 4.12Å; W93-R135 HydrophobicContact CZ3-CB 4.15Å; W93-R135 HydrophobicContact CZ3-CG 4.11Å; W93-R135 PolarHBondContact O-NH1 3.36Å; W93-L139 HydrophobicContact CH2-CD1 4.03Å; W93-L139 HydrophobicContact CH2-CD2 3.83Å; W93-L139 HydrophobicContact CH2-CG 4.14Å; W93-L139 HydrophobicContact CZ3-CD2 4.06Å; W93-L139 HydrophobicContact CZ3-CG 4.4Å
94Y91.4Very high92.4Very high90 Ų9053.4 Ų53.435%0.35328%0.279SS..G310 helixtrans-65-30.9-178.8-168.3-91.6000111.8S92 L115 I134 R135S92-Y94 PolarHBondContact O-N 3.11Å; S92-Y94 VanDerWaalsContact O-N 3.09Å; Y94-L115 HydrophobicContact CD2-CD2 3.81Å; Y94-L115 HydrophobicContact CE2-CD2 3.72Å; Y94-I134 WeakPolarHBondContact OH-CD1 3.45Å; Y94-R135 HydrophobicContact CD2-CG 3.73Å; Y94-R135 HydrophobicContact CE2-CG 3.45Å; Y94-R135 VanDerWaalsContact CE2-CG 3.45Å; Y94-R135 PolarHBondContact O-NH1 3.4Å
95A93.3Very high92.2Very high84 Ų8452.6 Ų52.669%0.69427%0.274SS*.THydrogen-bonded Turntrans-93.6-29.7172.800000112.9S92 W93S92-A95 PolarHBondContact O-N 2.99Å; W93-A95 VanDerWaalsContact C-N 3.25Å; W93-A95 PolarHBondContact O-N 2.92Å
96K93Very high92.2Very high108 Ų10854.3 Ų54.347%0.4728%0.282SS..  trans-133.775.9-173.9-67.8-174.2177.9-175.40111S92 W93 E98 L99S92-K96 PolarHBondContact O-N 3.04Å; W93-K96 WeakPolarHBondContact CA-O 3.4Å; W93-K96 CarbonylContact O-C 3.25Å; W93-K96 VanDerWaalsContact O-C 3.25Å; W93-K96 PolarHBondContact O-N 2.66Å; K96-E98 WeakPolarHBondContact CA-OE2 3.43Å; K96-E98 WeakPolarHBondContact CB-OE1 3.29Å; K96-E98 PolarHBondContact O-N 2.9Å; K96-E98 VanDerWaalsContact O-N 3.11Å; K96-L99 HydrophobicContact CB-CD1 3.62Å; K96-L99 HydrophobicContact CB-CG 3.8Å; K96-L99 HydrophobicContact CD-CD1 3.74Å; K96-L99 HydrophobicContact CD-CG 4.4Å; K96-L99 HydrophobicContact CG-CD1 4.33Å; K96-L99 WeakPolarHBondContact O-CB 3.34Å; K96-L99 PolarHBondContact O-N 3.21Å; K96-L99 VanDerWaalsContact O-N 3.12Å
97P92.9Very high92.2Very high30 Ų3059.4 Ų59.420%0.19531%0.31CS..G310 helixtrans-48.2-36.9-178.4-7.3-2.6000115.7W93 L99 I100 W102 R135 V138W93-P97 WeakPolarHBondContact O-CA 3.35Å; P97-L99 PolarHBondContact O-N 3.04Å; P97-I100 PolarHBondContact O-N 3.46Å; P97-W102 PolarHBondContact O-NE1 2.93Å; P97-R135 VanDerWaalsContact CG-NH2 3.28Å; P97-V138 HydrophobicContact CB-CG2 3.93Å; P97-V138 HydrophobicContact CG-CG2 4.34Å
98E91.8Very high92.3Very high136 Ų13660.2 Ų60.264%0.63632%0.315SS*.G310 helixtrans-66.8-15.5-174.668.9-76.6178.200113.2K96 I100K96-E98 WeakPolarHBondContact CA-OE2 3.43Å; K96-E98 WeakPolarHBondContact CB-OE1 3.29Å; K96-E98 PolarHBondContact O-N 2.9Å; K96-E98 VanDerWaalsContact O-N 3.11Å; E98-I100 VanDerWaalsContact C-N 3.26Å; E98-I100 PolarHBondContact O-N 2.93Å
99L91Very high92.6Very high104 Ų10460.4 Ų60.455%0.54532%0.316SS..G310 helixtrans-77.2-12.4175.2-63.6-178000113.3S92 K96 P97S92-L99 VanDerWaalsContact OG-CD1 3.28Å; S92-L99 WeakPolarHBondContact OG-CD1 3.26Å; K96-L99 HydrophobicContact CB-CD1 3.62Å; K96-L99 HydrophobicContact CB-CG 3.8Å; K96-L99 HydrophobicContact CD-CD1 3.74Å; K96-L99 HydrophobicContact CD-CG 4.4Å; K96-L99 HydrophobicContact CG-CD1 4.33Å; K96-L99 WeakPolarHBondContact O-CB 3.34Å; K96-L99 PolarHBondContact O-N 3.21Å; K96-L99 VanDerWaalsContact O-N 3.12Å; P97-L99 PolarHBondContact O-N 3.04Å
100I93.1Very high93Very high20 Ų2061.3 Ų61.310%0.10332%0.321CS..SBendtrans-102.5125.5175.2-64.2-61.7000109.3Y87 W93 P97 E98 W102 L105Y87-I100 HydrophobicContact CE2-CD1 4.17Å; W93-I100 HydrophobicContact CB-CB 4.4Å; W93-I100 HydrophobicContact CB-CD1 4.06Å; W93-I100 HydrophobicContact CB-CG1 3.24Å; W93-I100 HydrophobicContact CG-CG1 4.18Å; P97-I100 PolarHBondContact O-N 3.46Å; E98-I100 VanDerWaalsContact C-N 3.26Å; E98-I100 PolarHBondContact O-N 2.93Å; I100-W102 VanDerWaalsContact C-N 3.34Å; I100-W102 HydrophobicContact CB-CD2 4.32Å; I100-W102 HydrophobicContact CB-CZ2 3.85Å; I100-W102 HydrophobicContact CG1-CZ2 4.27Å; I100-W102 HydrophobicContact CG2-CD2 3.73Å; I100-W102 HydrophobicContact CG2-CE3 4.02Å; I100-W102 HydrophobicContact CG2-CG 4.16Å; I100-W102 HydrophobicContact CG2-CH2 4.2Å; I100-W102 HydrophobicContact CG2-CZ2 3.89Å; I100-W102 HydrophobicContact CG2-CZ3 4.26Å; I100-W102 PolarHBondContact O-N 3.49Å; I100-W102 PolarHBondContact O-NE1 3.22Å; I100-L105 HydrophobicContact CG2-CD1 3.52Å
101D94.9Very high93.6Very high92 Ų9261 Ų6149%0.49232%0.324SS..  trans-74.790.8163.9-172.7-16.3000109.4K103 R104 L105D101-K103 VanDerWaalsContact C-N 3.27Å; D101-K103 PolarHBondContact O-N 3.46Å; D101-K103 PolarHBondContact OD1-N 3.23Å; D101-K103 VanDerWaalsContact OD1-N 3.12Å; D101-R104 HydrophobicContact CB-CB 3.81Å; D101-R104 WeakPolarHBondContact O-CB 3.46Å; D101-R104 PolarHBondContact O-N 2.99Å; D101-R104 PolarHBondContact OD1-N 3.24Å; D101-R104 WeakPolarHBondContact OD2-CB 3.25Å; D101-L105 PolarHBondContact O-N 3.01Å
102W94.9Very high94.4Very high32 Ų3261 Ų6112%0.12132%0.315CS..Hα-helixtrans-65-32.4178.7-62.397.2000112.4W93 P97 I100 R104 L105 Q106 I112 V138 L139 V142W93-W102 AromaticContact CD2-CH2 3.86Å; W93-W102 HydrophobicContact CD2-CH2 3.86Å; W93-W102 HydrophobicContact CD2-CZ2 4.08Å; W93-W102 AromaticContact CE3-CH2 3.42Å; W93-W102 HydrophobicContact CE3-CH2 3.42Å; W93-W102 VanDerWaalsContact CE3-CH2 3.42Å; W93-W102 AromaticContact CE3-CZ2 3.41Å; W93-W102 HydrophobicContact CE3-CZ2 3.41Å; W93-W102 VanDerWaalsContact CE3-CZ2 3.41Å; W93-W102 HydrophobicContact CH2-CH2 4.46Å; W93-W102 AromaticContact CZ3-CH2 3.74Å; W93-W102 HydrophobicContact CZ3-CH2 3.74Å; W93-W102 AromaticContact CZ3-CZ2 3.97Å; W93-W102 HydrophobicContact CZ3-CZ2 3.97Å; P97-W102 PolarHBondContact O-NE1 2.93Å; I100-W102 VanDerWaalsContact C-N 3.34Å; I100-W102 HydrophobicContact CB-CD2 4.32Å; I100-W102 HydrophobicContact CB-CZ2 3.85Å; I100-W102 HydrophobicContact CG1-CZ2 4.27Å; I100-W102 HydrophobicContact CG2-CD2 3.73Å; I100-W102 HydrophobicContact CG2-CE3 4.02Å; I100-W102 HydrophobicContact CG2-CG 4.16Å; I100-W102 HydrophobicContact CG2-CH2 4.2Å; I100-W102 HydrophobicContact CG2-CZ2 3.89Å; I100-W102 HydrophobicContact CG2-CZ3 4.26Å; I100-W102 PolarHBondContact O-N 3.49Å; I100-W102 PolarHBondContact O-NE1 3.22Å; W102-R104 VanDerWaalsContact C-N 3.33Å; W102-L105 HydrophobicContact CE3-CD1 3.89Å; W102-L105 HydrophobicContact CZ3-CD1 4.1Å; W102-L105 WeakPolarHBondContact O-CB 3.29Å; W102-L105 PolarHBondContact O-N 3.4Å; W102-Q106 WeakPolarHBondContact O-CG 3.25Å; W102-Q106 PolarHBondContact O-N 3.34Å; W102-I112 HydrophobicContact CE3-CD1 4.27Å; W102-I112 HydrophobicContact CZ3-CD1 3.67Å; W102-V138 HydrophobicContact CD2-CG1 3.99Å; W102-V138 HydrophobicContact CG-CG1 4.47Å; W102-V138 HydrophobicContact CH2-CG1 4.33Å; W102-V138 HydrophobicContact CZ2-CG1 3.77Å; W102-L139 HydrophobicContact CH2-CD2 4.32Å; W102-L139 HydrophobicContact CZ3-CD2 4.33Å; W102-V142 HydrophobicContact CB-CG1 3.73Å; W102-V142 HydrophobicContact CD2-CG1 4.11Å; W102-V142 HydrophobicContact CE3-CB 4.46Å; W102-V142 HydrophobicContact CE3-CG1 4.11Å; W102-V142 HydrophobicContact CE3-CG2 4.16Å; W102-V142 HydrophobicContact CG-CG1 3.95Å
103K95.5Very high94.8Very high116 Ų11659.5 Ų59.550%0.50430%0.299SS..Hα-helixtrans-69-38.4179.7-173.155175.9169.30110.5D101 L105 Q106 N107D101-K103 VanDerWaalsContact C-N 3.27Å; D101-K103 PolarHBondContact O-N 3.46Å; D101-K103 PolarHBondContact OD1-N 3.23Å; D101-K103 VanDerWaalsContact OD1-N 3.12Å; K103-L105 VanDerWaalsContact C-N 3.35Å; K103-Q106 PolarHBondContact O-N 2.92Å; K103-N107 WeakPolarHBondContact CE-OD1 3.41Å; K103-N107 WeakPolarHBondContact O-CB 3.23Å; K103-N107 PolarHBondContact O-N 2.77Å; K103-N107 PolarHBondContact O-ND2 3.1Å; K103-N107 PolarHBondContact O-OD1 3.07Å
104R96.3Very high94.9Very high46 Ų4659.4 Ų59.417%0.17430%0.299CS..Hα-helixtrans-59.2-43170.6-176.2179.4-165.1172.38.4112.3P64 D65 E68 D101 W102 N107 N108P64-R104 VanDerWaalsContact C-CZ 3.4Å; P64-R104 PolarHBondContact O-NH2 2.99Å; D65-R104 IonicContact OD1-CZ 3.12Å; D65-R104 IonicContact OD1-NH1 2.76Å; D65-R104 PolarHBondContact OD1-NH1 2.68Å; D65-R104 IonicContact OD1-NH2 2.68Å; D65-R104 PolarHBondContact OD1-NH2 3.32Å; E68-R104 IonicContact OE2-CZ 2.75Å; E68-R104 IonicContact OE2-NE 3.66Å; E68-R104 PolarHBondContact OE2-NE 3.32Å; E68-R104 IonicContact OE2-NH2 3.77Å; E68-R104 PolarHBondContact OE2-NH2 3.03Å; D101-R104 HydrophobicContact CB-CB 3.81Å; D101-R104 WeakPolarHBondContact O-CB 3.46Å; D101-R104 PolarHBondContact O-N 2.99Å; D101-R104 PolarHBondContact OD1-N 3.24Å; D101-R104 WeakPolarHBondContact OD2-CB 3.25Å; W102-R104 VanDerWaalsContact C-N 3.33Å; R104-N107 PolarHBondContact O-N 3.37Å; R104-N108 WeakPolarHBondContact CG-ND2 3.36Å; R104-N108 WeakPolarHBondContact O-CB 3.4Å; R104-N108 PolarHBondContact O-N 3.09Å; R104-N108 PolarHBondContact O-ND2 3.15Å
105L95.7Very high95Very high4 Ų455.5 Ų55.52%0.02128%0.284CS..Hα-helixtrans-60.4-50.5174.6-77.3166.7000111.6C85 Y87 P88 I100 D101 W102 K103 N107 N108 C109 I112C85-L105 HydrophobicContact CB-CD2 4.3Å; Y87-L105 HydrophobicContact CD1-CD2 4.13Å; Y87-L105 HydrophobicContact CE1-CD2 3.25Å; Y87-L105 HydrophobicContact CE1-CG 4.19Å; Y87-L105 HydrophobicContact CE2-CD2 4.4Å; Y87-L105 VanDerWaalsContact CZ-CD2 3.41Å; Y87-L105 WeakPolarHBondContact OH-CD2 3.32Å; Y87-L105 VanDerWaalsContact OH-CG 3.29Å; Y87-L105 WeakPolarHBondContact OH-CG 3.08Å; P88-L105 HydrophobicContact CG-CD1 3.55Å; P88-L105 HydrophobicContact CG-CD2 3.93Å; P88-L105 HydrophobicContact CG-CG 4.38Å; I100-L105 HydrophobicContact CG2-CD1 3.52Å; D101-L105 PolarHBondContact O-N 3.01Å; W102-L105 HydrophobicContact CE3-CD1 3.89Å; W102-L105 HydrophobicContact CZ3-CD1 4.1Å; W102-L105 WeakPolarHBondContact O-CB 3.29Å; W102-L105 PolarHBondContact O-N 3.4Å; K103-L105 VanDerWaalsContact C-N 3.35Å; L105-N107 PolarHBondContact O-N 3.23Å; L105-N108 PolarHBondContact O-N 3.03Å; L105-N108 VanDerWaalsContact O-N 3.09Å; L105-C109 VanDerWaalsContact O-CB 3.29Å; L105-C109 WeakPolarHBondContact O-CB 3.11Å; L105-C109 PolarHBondContact O-N 3.25Å; L105-I112 HydrophobicContact CB-CG2 4.25Å; L105-I112 HydrophobicContact CD1-CG2 4.35Å; L105-I112 HydrophobicContact CD2-CG2 3.89Å; L105-I112 HydrophobicContact CG-CG2 4.4Å
106Q96.6Very high95Very high37 Ų3755.6 Ų55.617%0.17328%0.278CS..Hα-helixtrans-58.4-36.6179.9-71.1178.3-47.100113W102 K103 N108 V142 H147W102-Q106 WeakPolarHBondContact O-CG 3.25Å; W102-Q106 PolarHBondContact O-N 3.34Å; K103-Q106 PolarHBondContact O-N 2.92Å; Q106-N108 VanDerWaalsContact C-N 3.34Å; Q106-V142 VanDerWaalsContact NE2-CA 3.31Å; Q106-V142 PolarHBondContact NE2-O 3.04Å; Q106-H147 HydrophobicContact CB-CB 4.17Å; Q106-H147 HydrophobicContact CG-CB 4.22Å; Q106-H147 PolarHBondContact NE2-CE1 3.18Å; Q106-H147 PolarHBondContact O-CD2 2.88Å
107N97.1Very high95.1Very high107 Ų10754.9 Ų54.957%0.57228%0.279SS*.Hα-helixtrans-75.8-21.6179.9-68.2-13.4000113.3K103 R104 L105K103-N107 WeakPolarHBondContact CE-OD1 3.41Å; K103-N107 WeakPolarHBondContact O-CB 3.23Å; K103-N107 PolarHBondContact O-N 2.77Å; K103-N107 PolarHBondContact O-ND2 3.1Å; K103-N107 PolarHBondContact O-OD1 3.07Å; R104-N107 PolarHBondContact O-N 3.37Å; L105-N107 PolarHBondContact O-N 3.23Å
108N97.6Very high95.2Very high28 Ų2858 Ų5815%0.1530%0.301CS..Hα-helixtrans-118-19.2-169.5-67.7-59.1000114.2S71 F83 R104 L105 Q106S71-N108 VanDerWaalsContact CB-O 3.23Å; S71-N108 WeakPolarHBondContact CB-O 3.21Å; S71-N108 PolarHBondContact OG-O 2.94Å; F83-N108 WeakPolarHBondContact CD1-O 3.45Å; R104-N108 WeakPolarHBondContact CG-ND2 3.36Å; R104-N108 WeakPolarHBondContact O-CB 3.4Å; R104-N108 PolarHBondContact O-N 3.09Å; R104-N108 PolarHBondContact O-ND2 3.15Å; L105-N108 PolarHBondContact O-N 3.03Å; L105-N108 VanDerWaalsContact O-N 3.09Å; Q106-N108 VanDerWaalsContact C-N 3.34Å
109C98.2Very high95.4Very high3 Ų358.2 Ų58.22%0.0230%0.3CS..  trans-128137.3-171.4-55.20000109.8C85 L105 I112C85-C109 HydrophobicContact CB-CB 3.73Å; C85-C109 WeakPolarHBondContact CB-SG 3.48Å; C85-C109 WeakPolarHBondContact SG-CB 3.35Å; C85-C109 CovalentContact SG-SG 2.01Å; C85-C109 PolarHBondContact SG-SG 2.78Å; L105-C109 VanDerWaalsContact O-CB 3.29Å; L105-C109 WeakPolarHBondContact O-CB 3.11Å; L105-C109 PolarHBondContact O-N 3.25Å; C109-I112 HydrophobicContact CB-CG2 4.22Å
110N98.3Very high95.7Very high60 Ų6059.8 Ų59.832%0.32132%0.32SS..SBendtrans-84.2-24.4175-60.1114.7000113.7M82 F83 G146 H147M82-N110 WeakPolarHBondContact CA-OD1 3.28Å; M82-N110 HydrophobicContact CG-CB 3.74Å; F83-N110 PolarHBondContact N-OD1 2.87Å; F83-N110 PolarHBondContact O-N 2.86Å; N110-G146 VanDerWaalsContact CA-O 3.28Å; N110-G146 WeakPolarHBondContact CA-O 3.48Å; N110-G146 PolarHBondContact ND2-O 3.32Å; N110-H147 WeakPolarHBondContact O-CA 3.44Å
111L97.4Very high96Very high72 Ų7261.5 Ų61.538%0.37733%0.334SS..EExtended strand (participates in β ladder)trans-144.9152.4174.7-69.6175.5000108.6Y50 M82 F83 L84 C85Y50-L111 HydrophobicContact CE2-CD1 4.34Å; M82-L111 HydrophobicContact SD-CD1 4.13Å; F83-L111 PolarHBondContact O-N 2.87Å; L84-L111 CarbonylContact C-O 3.44Å; L84-L111 VanDerWaalsContact CA-O 3.32Å; L84-L111 WeakPolarHBondContact CA-O 3.21Å; L84-L111 HydrophobicContact CB-CB 4.16Å; L84-L111 HydrophobicContact CD1-CB 3.94Å; L84-L111 HydrophobicContact CD1-CD1 4.35Å; L84-L111 HydrophobicContact CG-CB 3.96Å; C85-L111 PolarHBondContact N-O 3.38Å
112I95.7Very high96.1Very high37 Ų3765.7 Ų65.719%0.1934%0.343CS..EExtended strand (participates in β ladder)trans-124.6148.3171.963169.3000110.4C85 W102 L105 C109 A114C85-I112 HydrophobicContact CB-CG2 4.39Å; C85-I112 WeakPolarHBondContact O-CA 3.35Å; W102-I112 HydrophobicContact CE3-CD1 4.27Å; W102-I112 HydrophobicContact CZ3-CD1 3.67Å; L105-I112 HydrophobicContact CB-CG2 4.25Å; L105-I112 HydrophobicContact CD1-CG2 4.35Å; L105-I112 HydrophobicContact CD2-CG2 3.89Å; L105-I112 HydrophobicContact CG-CG2 4.4Å; C109-I112 HydrophobicContact CB-CG2 4.22Å; I112-A114 HydrophobicContact CD1-CB 4.42Å
113R95.5Very high96.2Very high39 Ų3967.6 Ų67.615%0.14737%0.366CS..  trans-103.498.6167.5-164.5-84.8-66.1-123.1-4.6108.7L84 C85 T86 L89 L115 N117L84-R113 HydrophobicContact CD2-CB 4.12Å; C85-R113 PolarHBondContact O-N 2.86Å; T86-R113 HydrophobicContact CG2-CB 4.17Å; L89-R113 VanDerWaalsContact CG-CZ 3.41Å; L89-R113 VanDerWaalsContact CG-NE 3.29Å; R113-L115 WeakPolarHBondContact CD-O 3.03Å; R113-L115 PolarHBondContact NH1-O 3.09Å; R113-N117 PolarHBondContact NH1-OD1 2.98Å
114A93.1Very high96.3Very high2 Ų262.5 Ų62.52%0.01735%0.345CS..  trans-84.3-33.6-174.100000113.8L89 W93 I112 L139L89-A114 WeakPolarHBondContact CD2-O 3.44Å; W93-A114 VanDerWaalsContact CE2-O 3.25Å; W93-A114 HydrophobicContact CH2-CB 4.07Å; W93-A114 HydrophobicContact CZ2-CB 3.68Å; W93-A114 WeakPolarHBondContact CZ2-O 3.47Å; W93-A114 PolarHBondContact NE1-O 3.18Å; I112-A114 HydrophobicContact CD1-CB 4.42Å; A114-L139 HydrophobicContact CB-CD2 3.86Å
115L94.1Very high96.4Very high9 Ų963.1 Ų63.15%0.04735%0.354CS..SBendtrans-111.6166.4-173.2-65.1-179.3000113.3L89 W93 Y94 R113 I128 Y132L89-L115 VanDerWaalsContact CD2-O 3.28Å; L89-L115 WeakPolarHBondContact CD2-O 3.38Å; W93-L115 HydrophobicContact CH2-CD2 4.39Å; W93-L115 HydrophobicContact CZ2-CD2 3.98Å; Y94-L115 HydrophobicContact CD2-CD2 3.81Å; Y94-L115 HydrophobicContact CE2-CD2 3.72Å; R113-L115 WeakPolarHBondContact CD-O 3.03Å; R113-L115 PolarHBondContact NH1-O 3.09Å; L115-I128 HydrophobicContact CB-CD1 3.88Å; L115-I128 HydrophobicContact CD1-CG2 4.14Å; L115-I128 WeakPolarHBondContact CD1-O 3.22Å; L115-Y132 HydrophobicContact CD1-CD2 3.35Å; L115-Y132 HydrophobicContact CD1-CE2 3.52Å; L115-Y132 HydrophobicContact CD1-CG 4Å; L115-Y132 HydrophobicContact CG-CD2 4.49Å; L115-Y132 HydrophobicContact CG-CE2 4.29Å
116P92.6Very high96.5Very high86 Ų8666.3 Ų66.356%0.55837%0.37SS*.PPolyproline II helixtrans-56.8171.8-177.8-28.437.4000115.1
117N94.6Very high96.5Very high93 Ų9367.7 Ų67.750%0.49738%0.384SS..PPolyproline II helixtrans-59.2139.7174.4-69.9-7.7000110.5R113 F119R113-N117 PolarHBondContact NH1-OD1 2.98Å; N117-F119 HydrophobicContact CB-CE2 4.15Å; N117-F119 HydrophobicContact CB-CZ 4.03Å; N117-F119 WeakPolarHBondContact O-CD2 3.18Å; N117-F119 WeakPolarHBondContact O-CE2 3.31Å
118S95Very high96.5Very high94 Ų9464.3 Ų64.366%0.65737%0.366SS*.PPolyproline II helixtrans-80.9148.3166.754.90000110.6S124S118-S124 WeakPolarHBondContact CA-OG 3.03Å
119F96.7Very high96.5Very high141 Ų14167.4 Ų67.462%0.61838%0.381SS*.  trans-127.8164.3177.3-60.3-82.6000110N117 S121 S124N117-F119 HydrophobicContact CB-CE2 4.15Å; N117-F119 HydrophobicContact CB-CZ 4.03Å; N117-F119 WeakPolarHBondContact O-CD2 3.18Å; N117-F119 WeakPolarHBondContact O-CE2 3.31Å; F119-S121 PolarHBondContact O-N 2.71Å; F119-S124 PolarHBondContact N-OG 3.46Å
120S97.5Very high96.5Very high137 Ų13771.1 Ų71.196%0.95840%0.401SS*.SBendtrans-76.159.8-179.6-173.90000112.3
121S98Very high96.3Very high57 Ų5768.4 Ų68.440%0.39939%0.387SS..SBendtrans-149147.8175.972.30000111.5F119 A123 S124 V125F119-S121 PolarHBondContact O-N 2.71Å; S121-A123 VanDerWaalsContact C-N 3.26Å; S121-A123 PolarHBondContact O-N 3.1Å; S121-S124 WeakPolarHBondContact O-CB 3.44Å; S121-S124 PolarHBondContact O-N 3Å; S121-S124 VanDerWaalsContact O-N 3.11Å; S121-S124 WeakPolarHBondContact OG-CB 2.85Å; S121-S124 PolarHBondContact OG-N 3.16Å; S121-S124 VanDerWaalsContact OG-N 3.16Å; S121-V125 PolarHBondContact O-N 2.7Å; S121-V125 VanDerWaalsContact O-N 3.16Å
122W98Very high96.3Very high179 Ų17970.2 Ų70.268%0.67839%0.39SS*.Hα-helixtrans-62-36.8176.1-172.4-119.6000112.2S124 V125 L126W122-S124 VanDerWaalsContact C-N 3.27Å; W122-S124 PolarHBondContact O-N 3.19Å; W122-V125 HydrophobicContact CE3-CB 4.08Å; W122-V125 HydrophobicContact CE3-CG1 4.17Å; W122-V125 HydrophobicContact CH2-CG1 4.49Å; W122-V125 HydrophobicContact CZ3-CB 4.29Å; W122-V125 HydrophobicContact CZ3-CG1 3.86Å; W122-V125 PolarHBondContact O-N 3.05Å; W122-V125 VanDerWaalsContact O-N 3.17Å; W122-L126 HydrophobicContact CD2-CG 4.27Å; W122-L126 HydrophobicContact CG-CD1 4.42Å; W122-L126 HydrophobicContact CG-CG 4.38Å; W122-L126 HydrophobicContact CZ2-CD2 3.72Å; W122-L126 HydrophobicContact CZ2-CG 4.21Å; W122-L126 VanDerWaalsContact NE1-CD1 3.33Å; W122-L126 WeakPolarHBondContact O-CG 3.25Å; W122-L126 PolarHBondContact O-N 3.26Å
123A97.9Very high96.3Very high73 Ų7376.1 Ų76.160%0.60341%0.414SS*.Hα-helixtrans-57.2-40.5173.800000112S121 S127S121-A123 VanDerWaalsContact C-N 3.26Å; S121-A123 PolarHBondContact O-N 3.1Å; A123-S127 WeakPolarHBondContact O-CB 3.45Å; A123-S127 PolarHBondContact O-N 3.01Å; A123-S127 PolarHBondContact O-OG 3.02Å
124S97.7Very high96.3Very high9 Ų979.4 Ų79.46%0.06343%0.434CS..Hα-helixtrans-65.6-46.2175.3-177.40000111.6S118 F119 S121 W122 L126 S127 I128S118-S124 WeakPolarHBondContact CA-OG 3.03Å; F119-S124 PolarHBondContact N-OG 3.46Å; S121-S124 WeakPolarHBondContact O-CB 3.44Å; S121-S124 PolarHBondContact O-N 3Å; S121-S124 VanDerWaalsContact O-N 3.11Å; S121-S124 WeakPolarHBondContact OG-CB 2.85Å; S121-S124 PolarHBondContact OG-N 3.16Å; S121-S124 VanDerWaalsContact OG-N 3.16Å; W122-S124 VanDerWaalsContact C-N 3.27Å; W122-S124 PolarHBondContact O-N 3.19Å; S124-L126 PolarHBondContact O-N 2.7Å; S124-S127 PolarHBondContact O-N 3.43Å; S124-S127 PolarHBondContact O-OG 3.22Å; S124-I128 WeakPolarHBondContact O-CG1 3.35Å; S124-I128 PolarHBondContact O-N 2.85Å; S124-I128 VanDerWaalsContact O-N 3.16Å
125V97.8Very high96.4Very high59 Ų5979.8 Ų79.836%0.35843%0.434SS..Hα-helixtrans-58.3-49.5177.7176.10000111.3S121 W122 S127 I128 I129S121-V125 PolarHBondContact O-N 2.7Å; S121-V125 VanDerWaalsContact O-N 3.16Å; W122-V125 HydrophobicContact CE3-CB 4.08Å; W122-V125 HydrophobicContact CE3-CG1 4.17Å; W122-V125 HydrophobicContact CH2-CG1 4.49Å; W122-V125 HydrophobicContact CZ3-CB 4.29Å; W122-V125 HydrophobicContact CZ3-CG1 3.86Å; W122-V125 PolarHBondContact O-N 3.05Å; W122-V125 VanDerWaalsContact O-N 3.17Å; V125-S127 VanDerWaalsContact C-N 3.34Å; V125-S127 PolarHBondContact O-N 2.85Å; V125-I128 PolarHBondContact O-N 3.49Å; V125-I129 HydrophobicContact CG1-CD1 3.96Å; V125-I129 WeakPolarHBondContact O-CG1 3.28Å; V125-I129 PolarHBondContact O-N 3.11Å; V125-I129 VanDerWaalsContact O-N 3.11Å
126L97.9Very high96.5Very high70 Ų7083.9 Ų83.937%0.36646%0.456SS..Hα-helixtrans-60-42.7177.5-70.9-178.5000112W122 S124 I128 I129 D130W122-L126 HydrophobicContact CD2-CG 4.27Å; W122-L126 HydrophobicContact CG-CD1 4.42Å; W122-L126 HydrophobicContact CG-CG 4.38Å; W122-L126 HydrophobicContact CZ2-CD2 3.72Å; W122-L126 HydrophobicContact CZ2-CG 4.21Å; W122-L126 VanDerWaalsContact NE1-CD1 3.33Å; W122-L126 WeakPolarHBondContact O-CG 3.25Å; W122-L126 PolarHBondContact O-N 3.26Å; S124-L126 PolarHBondContact O-N 2.7Å; L126-I128 VanDerWaalsContact C-N 3.27Å; L126-I128 PolarHBondContact O-N 3.48Å; L126-I129 PolarHBondContact O-N 3.17Å; L126-D130 WeakPolarHBondContact O-CB 3.35Å; L126-D130 PolarHBondContact O-N 3.24Å
127S97Very high96.6Very high67 Ų6783.8 Ų83.847%0.46945%0.451SS..Hα-helixtrans-61.1-34.117973.70000113.4A123 S124 V125 G131A123-S127 WeakPolarHBondContact O-CB 3.45Å; A123-S127 PolarHBondContact O-N 3.01Å; A123-S127 PolarHBondContact O-OG 3.02Å; S124-S127 PolarHBondContact O-N 3.43Å; S124-S127 PolarHBondContact O-OG 3.22Å; V125-S127 VanDerWaalsContact C-N 3.34Å; V125-S127 PolarHBondContact O-N 2.85Å; S127-G131 PolarHBondContact O-N 3.36Å
128I97Very high96.6Very high36 Ų3680.2 Ų80.219%0.18543%0.433CS..Hα-helixtrans-72-45.1175.6-63.7-59.4000110.4L115 S124 V125 L126 D130 G131 Y132L115-I128 HydrophobicContact CB-CD1 3.88Å; L115-I128 HydrophobicContact CD1-CG2 4.14Å; L115-I128 WeakPolarHBondContact CD1-O 3.22Å; S124-I128 WeakPolarHBondContact O-CG1 3.35Å; S124-I128 PolarHBondContact O-N 2.85Å; S124-I128 VanDerWaalsContact O-N 3.16Å; V125-I128 PolarHBondContact O-N 3.49Å; L126-I128 VanDerWaalsContact C-N 3.27Å; L126-I128 PolarHBondContact O-N 3.48Å; I128-D130 PolarHBondContact O-N 3.43Å; I128-G131 PolarHBondContact O-N 3.11Å; I128-Y132 HydrophobicContact CG2-CD2 3.92Å; I128-Y132 HydrophobicContact CG2-CE2 3.89Å; I128-Y132 WeakPolarHBondContact O-CD2 3.47Å; I128-Y132 PolarHBondContact O-N 3.12Å
129I97.3Very high96.6Very high92 Ų9276.4 Ų76.447%0.47241%0.405SS..Hα-helixtrans-59.3-47.3177-66.9169.4000110.6V125 L126 G131 Y132 K133V125-I129 HydrophobicContact CG1-CD1 3.96Å; V125-I129 WeakPolarHBondContact O-CG1 3.28Å; V125-I129 PolarHBondContact O-N 3.11Å; V125-I129 VanDerWaalsContact O-N 3.11Å; L126-I129 PolarHBondContact O-N 3.17Å; I129-G131 VanDerWaalsContact C-N 3.31Å; I129-G131 PolarHBondContact O-N 3.11Å; I129-Y132 PolarHBondContact O-N 2.89Å; I129-K133 WeakPolarHBondContact O-CB 3.48Å; I129-K133 PolarHBondContact O-N 3.02Å
130D97.1Very high96.5Very high81 Ų8172.8 Ų72.843%0.43340%0.397SS..Hα-helixtrans-62.9-38.5177.5-74.5-27.7000111.6L126 I128 K133 I134L126-D130 WeakPolarHBondContact O-CB 3.35Å; L126-D130 PolarHBondContact O-N 3.24Å; I128-D130 PolarHBondContact O-N 3.43Å; D130-K133 WeakPolarHBondContact O-CB 3.47Å; D130-K133 PolarHBondContact O-N 2.77Å; D130-I134 WeakPolarHBondContact O-CB 3.46Å; D130-I134 VanDerWaalsContact O-CG1 3.25Å; D130-I134 WeakPolarHBondContact O-CG1 3.24Å; D130-I134 PolarHBondContact O-N 3.4Å
131G95.5Very high96.3Very high4 Ų473.9 Ų73.94%0.04139%0.385CS..Hα-helixtrans-60-45.3174.200000113.1S127 I128 I129 I134 R135S127-G131 PolarHBondContact O-N 3.36Å; I128-G131 PolarHBondContact O-N 3.11Å; I129-G131 VanDerWaalsContact C-N 3.31Å; I129-G131 PolarHBondContact O-N 3.11Å; G131-I134 PolarHBondContact O-N 3.04Å; G131-R135 PolarHBondContact O-N 3.46Å
132Y95.7Very high96.1Very high110 Ų11072.1 Ų72.143%0.43137%0.371SS..Hα-helixtrans-65.5-38.3174.5-86.5-79.8000112L115 I128 I129 R135 N136 L139L115-Y132 HydrophobicContact CD1-CD2 3.35Å; L115-Y132 HydrophobicContact CD1-CE2 3.52Å; L115-Y132 HydrophobicContact CD1-CG 4Å; L115-Y132 HydrophobicContact CG-CD2 4.49Å; L115-Y132 HydrophobicContact CG-CE2 4.29Å; I128-Y132 HydrophobicContact CG2-CD2 3.92Å; I128-Y132 HydrophobicContact CG2-CE2 3.89Å; I128-Y132 WeakPolarHBondContact O-CD2 3.47Å; I128-Y132 PolarHBondContact O-N 3.12Å; I129-Y132 PolarHBondContact O-N 2.89Å; Y132-R135 CarbonylContact O-C 3.58Å; Y132-R135 PolarHBondContact O-N 3.08Å; Y132-N136 WeakPolarHBondContact O-CA 3.06Å; Y132-N136 WeakPolarHBondContact O-CB 3.39Å; Y132-N136 PolarHBondContact O-N 3.06Å; Y132-L139 HydrophobicContact CD1-CB 4.32Å; Y132-L139 HydrophobicContact CD1-CD1 3.37Å; Y132-L139 HydrophobicContact CD1-CG 4.48Å; Y132-L139 HydrophobicContact CE1-CB 4.49Å; Y132-L139 HydrophobicContact CE1-CD1 3.56Å; Y132-L139 HydrophobicContact CG-CD1 4.16Å
133K96.9Very high96Very high160 Ų16066.6 Ų66.670%0.69636%0.364SS*.Hα-helixtrans-63.4-45.9176.5-179-178176.1-1760111.9I129 D130 R135 N136I129-K133 WeakPolarHBondContact O-CB 3.48Å; I129-K133 PolarHBondContact O-N 3.02Å; D130-K133 WeakPolarHBondContact O-CB 3.47Å; D130-K133 PolarHBondContact O-N 2.77Å; K133-R135 VanDerWaalsContact C-N 3.34Å; K133-N136 WeakPolarHBondContact O-CB 3Å; K133-N136 PolarHBondContact O-N 2.02Å
134I95.5Very high95.9Very high109 Ų10968.7 Ų68.756%0.55937%0.365SS*.Hα-helixtrans-63.8-41.9178.8-70.6164.6000110.5Y94 D130 G131Y94-I134 WeakPolarHBondContact OH-CD1 3.45Å; D130-I134 WeakPolarHBondContact O-CB 3.46Å; D130-I134 VanDerWaalsContact O-CG1 3.25Å; D130-I134 WeakPolarHBondContact O-CG1 3.24Å; D130-I134 PolarHBondContact O-N 3.4Å; G131-I134 PolarHBondContact O-N 3.04Å
135R95Very high95.9Very high9 Ų974.1 Ų74.13%0.03440%0.4CS..THydrogen-bonded Turntrans-98.119.7-177-60.7-51.3-52.8-80.1-22.3114.5W93 Y94 P97 G131 Y132 K133 D137 V138 L139W93-R135 HydrophobicContact CH2-CB 4.13Å; W93-R135 HydrophobicContact CH2-CG 4.12Å; W93-R135 HydrophobicContact CZ3-CB 4.15Å; W93-R135 HydrophobicContact CZ3-CG 4.11Å; W93-R135 PolarHBondContact O-NH1 3.36Å; Y94-R135 HydrophobicContact CD2-CG 3.73Å; Y94-R135 HydrophobicContact CE2-CG 3.45Å; Y94-R135 VanDerWaalsContact CE2-CG 3.45Å; Y94-R135 PolarHBondContact O-NH1 3.4Å; P97-R135 VanDerWaalsContact CG-NH2 3.28Å; G131-R135 PolarHBondContact O-N 3.46Å; Y132-R135 CarbonylContact O-C 3.58Å; Y132-R135 PolarHBondContact O-N 3.08Å; K133-R135 VanDerWaalsContact C-N 3.34Å; R135-D137 VanDerWaalsContact CA-OD1 3.25Å; R135-D137 WeakPolarHBondContact CA-OD1 3.48Å; R135-D137 IonicContact NE-OD1 3.46Å; R135-D137 PolarHBondContact NE-OD1 3.16Å; R135-D137 PolarHBondContact O-N 3.28Å; R135-V138 VanDerWaalsContact NH2-CG2 3.3Å; R135-V138 PolarHBondContact O-N 3.46Å; R135-L139 HydrophobicContact CB-CD1 3.99Å; R135-L139 HydrophobicContact CB-CG 4.14Å; R135-L139 PolarHBondContact O-N 3.25Å
136N95.7Very high95.7Very high95 Ų9573.5 Ų73.551%0.50841%0.406SS..Hα-helixtrans-62.4-25.1177.6-171.962.1000111.9Y132 K133 V138 S140Y132-N136 WeakPolarHBondContact O-CA 3.06Å; Y132-N136 WeakPolarHBondContact O-CB 3.39Å; Y132-N136 PolarHBondContact O-N 3.06Å; K133-N136 WeakPolarHBondContact O-CB 3Å; K133-N136 PolarHBondContact O-N 2.02Å; N136-V138 PolarHBondContact O-N 2.69Å; N136-S140 WeakPolarHBondContact O-CB 3.48Å; N136-S140 PolarHBondContact O-OG 3.17Å; N136-S140 WeakPolarHBondContact OD1-CB 3.33Å
137D94.7Very high95.6Very high84 Ų8472.8 Ų72.845%0.44940%0.401SS..Hα-helixtrans-59.3-23.1173.469.3-46000113.8R135 K141R135-D137 VanDerWaalsContact CA-OD1 3.25Å; R135-D137 WeakPolarHBondContact CA-OD1 3.48Å; R135-D137 IonicContact NE-OD1 3.46Å; R135-D137 PolarHBondContact NE-OD1 3.16Å; R135-D137 PolarHBondContact O-N 3.28Å; D137-K141 WeakPolarHBondContact O-CD 3.43Å; D137-K141 VanDerWaalsContact O-CE 3.25Å; D137-K141 WeakPolarHBondContact O-CE 3.47Å; D137-K141 PolarHBondContact O-NZ 3.47Å
138V95.3Very high95.5Very high19 Ų1973.1 Ų73.112%0.11540%0.397CS..Hα-helixtrans-115.7-55.4179.1179.50000112.1P97 W102 R135 N136 S140 K141 V142P97-V138 HydrophobicContact CB-CG2 3.93Å; P97-V138 HydrophobicContact CG-CG2 4.34Å; W102-V138 HydrophobicContact CD2-CG1 3.99Å; W102-V138 HydrophobicContact CG-CG1 4.47Å; W102-V138 HydrophobicContact CH2-CG1 4.33Å; W102-V138 HydrophobicContact CZ2-CG1 3.77Å; R135-V138 VanDerWaalsContact NH2-CG2 3.3Å; R135-V138 PolarHBondContact O-N 3.46Å; N136-V138 PolarHBondContact O-N 2.69Å; V138-S140 VanDerWaalsContact C-N 3.29Å; V138-S140 PolarHBondContact O-N 2.98Å; V138-K141 PolarHBondContact O-N 3.16Å; V138-V142 HydrophobicContact CG1-CG1 4.5Å; V138-V142 PolarHBondContact O-N 3.16Å
139L94.2Very high95.4Very high14 Ų1475.1 Ų75.17%0.07341%0.408CS..Hα-helixtrans-62.9-33.5-168.7-65.2178.4000113W93 W102 A114 Y132 R135 K141 V142W93-L139 HydrophobicContact CH2-CD1 4.03Å; W93-L139 HydrophobicContact CH2-CD2 3.83Å; W93-L139 HydrophobicContact CH2-CG 4.14Å; W93-L139 HydrophobicContact CZ3-CD2 4.06Å; W93-L139 HydrophobicContact CZ3-CG 4.4Å; W102-L139 HydrophobicContact CH2-CD2 4.32Å; W102-L139 HydrophobicContact CZ3-CD2 4.33Å; A114-L139 HydrophobicContact CB-CD2 3.86Å; Y132-L139 HydrophobicContact CD1-CB 4.32Å; Y132-L139 HydrophobicContact CD1-CD1 3.37Å; Y132-L139 HydrophobicContact CD1-CG 4.48Å; Y132-L139 HydrophobicContact CE1-CB 4.49Å; Y132-L139 HydrophobicContact CE1-CD1 3.56Å; Y132-L139 HydrophobicContact CG-CD1 4.16Å; R135-L139 HydrophobicContact CB-CD1 3.99Å; R135-L139 HydrophobicContact CB-CG 4.14Å; R135-L139 PolarHBondContact O-N 3.25Å; L139-K141 VanDerWaalsContact C-N 3.28Å; L139-K141 PolarHBondContact O-N 2.87Å; L139-V142 WeakPolarHBondContact O-CG2 3.38Å
140S94.3Very high95.3Very high65 Ų6574.1 Ų74.146%0.45541%0.405SS..Hα-helixtrans-69.7-24.8177.266.50000113.6N136 V138N136-S140 WeakPolarHBondContact O-CB 3.48Å; N136-S140 PolarHBondContact O-OG 3.17Å; N136-S140 WeakPolarHBondContact OD1-CB 3.33Å; V138-S140 VanDerWaalsContact C-N 3.29Å; V138-S140 PolarHBondContact O-N 2.98Å
141K93.5Very high95.2Very high160 Ų16073.7 Ų73.770%0.69640%0.403SS*.Hα-helixtrans-88.4-17.4-177.2-62.4177.6-176.2153.10113.1D137 V138 L139D137-K141 WeakPolarHBondContact O-CD 3.43Å; D137-K141 VanDerWaalsContact O-CE 3.25Å; D137-K141 WeakPolarHBondContact O-CE 3.47Å; D137-K141 PolarHBondContact O-NZ 3.47Å; V138-K141 PolarHBondContact O-N 3.16Å; L139-K141 VanDerWaalsContact C-N 3.28Å; L139-K141 PolarHBondContact O-N 2.87Å
142V93.4Very high95.2Very high19 Ų1978.1 Ų78.112%0.11543%0.426CS..Hα-helixtrans-99.1-12.8-176.6-58.90000112.9W102 Q106 V138 L139 H147W102-V142 HydrophobicContact CB-CG1 3.73Å; W102-V142 HydrophobicContact CD2-CG1 4.11Å; W102-V142 HydrophobicContact CE3-CB 4.46Å; W102-V142 HydrophobicContact CE3-CG1 4.11Å; W102-V142 HydrophobicContact CE3-CG2 4.16Å; W102-V142 HydrophobicContact CG-CG1 3.95Å; Q106-V142 VanDerWaalsContact NE2-CA 3.31Å; Q106-V142 PolarHBondContact NE2-O 3.04Å; V138-V142 HydrophobicContact CG1-CG1 4.5Å; V138-V142 PolarHBondContact O-N 3.16Å; L139-V142 WeakPolarHBondContact O-CG2 3.38Å; V142-H147 PolarHBondContact O-ND1 3.38Å
143A96Very high95.2Very high63 Ų6375.9 Ų75.952%0.52143%0.426SS..  trans-90.1128.6179.100000111.7H147A143-H147 CarbonylContact C-O 3.59Å; A143-H147 VanDerWaalsContact CA-O 3.31Å; A143-H147 WeakPolarHBondContact CA-O 3.46Å
144D95.8Very high95Very high118 Ų11869.9 Ų69.963%0.63141%0.406SS*.  trans-161.9173177.8-138-4.9000109.9G146 H147D144-G146 PolarHBondContact O-N 3.11Å; D144-H147 WeakPolarHBondContact CB-CE1 3.39Å; D144-H147 PolarHBondContact N-O 2.81Å; D144-H147 PolarHBondContact O-N 3.34Å; D144-H147 VanDerWaalsContact O-N 3.1Å
145P97.4Very high95Very high122 Ų12266.9 Ų66.979%0.79239%0.394SS*.THydrogen-bonded Turntrans-53.9112.6173.6-29.937.9000112.9
146G95.4Very high95Very high47 Ų4771.8 Ų71.849%0.48543%0.425SS..THydrogen-bonded Turntrans103.6-5.9177.400000115.4N110 D144N110-G146 VanDerWaalsContact CA-O 3.28Å; N110-G146 WeakPolarHBondContact CA-O 3.48Å; N110-G146 PolarHBondContact ND2-O 3.32Å; D144-G146 PolarHBondContact O-N 3.11Å
147H94.4Very high94.9Very high55 Ų5569.6 Ų69.626%0.25542%0.417SS..  trans-160.10174.649.258.9000114.4Q106 N110 V142 A143 D144Q106-H147 HydrophobicContact CB-CB 4.17Å; Q106-H147 HydrophobicContact CG-CB 4.22Å; Q106-H147 PolarHBondContact NE2-CE1 3.18Å; Q106-H147 PolarHBondContact O-CD2 2.88Å; N110-H147 WeakPolarHBondContact O-CA 3.44Å; V142-H147 PolarHBondContact O-ND1 3.38Å; A143-H147 CarbonylContact C-O 3.59Å; A143-H147 VanDerWaalsContact CA-O 3.31Å; A143-H147 WeakPolarHBondContact CA-O 3.46Å; D144-H147 WeakPolarHBondContact CB-CE1 3.39Å; D144-H147 PolarHBondContact N-O 2.81Å; D144-H147 PolarHBondContact O-N 3.34Å; D144-H147 VanDerWaalsContact O-N 3.1Å

Retrieved 147 of 147 residues in 176.1 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).