A0A077Z166_TRITR Loading...

RNA 3'-terminal phosphate cyclase

AlphaFold DB , UniProt , Accession A0A077Z166, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 363 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
1M48.7Very low85.6Confident239 Ų23985.5 Ų85.5100%1.17746%0.458SS*.  01170-68.9171.2179.300105.9N3M1-N3 PolarHBondContact O-N 3.3Å
2S59.9Low85.8Confident104 Ų10480.8 Ų80.873%0.72744%0.444SS*.  trans-55.9128.7171.448.20000107.7I4S2-I4 PolarHBondContact O-N 3.41Å
3N82Confident85.9Confident171 Ų17177.8 Ų77.891%0.91443%0.429SS*.  trans-65105.7176.2-134.516.7000106.6M1 D5M1-N3 PolarHBondContact O-N 3.3Å; N3-D5 PolarHBondContact O-N 2.96Å
4I87.3Confident86.1Confident69 Ų6978.1 Ų78.135%0.35443%0.429SS..  trans-73.2123.1177.9-62.6174.1000106.5S2 Y6 P34 V81S2-I4 PolarHBondContact O-N 3.41Å; I4-Y6 HydrophobicContact CB-CD2 4.21Å; I4-Y6 HydrophobicContact CB-CE2 3.59Å; I4-Y6 HydrophobicContact CG2-CD1 4.4Å; I4-Y6 HydrophobicContact CG2-CD2 3.99Å; I4-Y6 HydrophobicContact CG2-CE1 4.03Å; I4-Y6 HydrophobicContact CG2-CE2 3.59Å; I4-Y6 HydrophobicContact CG2-CG 4.39Å; I4-Y6 WeakPolarHBondContact O-CD2 3.36Å; I4-Y6 PolarHBondContact O-N 2.72Å; I4-P34 HydrophobicContact CG2-CB 3.65Å; I4-P34 HydrophobicContact CG2-CG 3.6Å; I4-V81 HydrophobicContact CD1-CG2 4.16Å; I4-V81 HydrophobicContact CG2-CG2 4.44Å
5D93.2Very high85.9Confident129 Ų12974.1 Ų74.169%0.6941%0.406SS*.  trans-80.7109.8174.7-173.626.3000109.4N3N3-D5 PolarHBondContact O-N 2.96Å
6Y96.7Very high85.3Confident58 Ų5869.6 Ų69.623%0.22738%0.383CS..PPolyproline II helixtrans-97.9141.5-179.2-69.7-87.8000110.2I4 D8 P34 H36 R79 V81I4-Y6 HydrophobicContact CB-CD2 4.21Å; I4-Y6 HydrophobicContact CB-CE2 3.59Å; I4-Y6 HydrophobicContact CG2-CD1 4.4Å; I4-Y6 HydrophobicContact CG2-CD2 3.99Å; I4-Y6 HydrophobicContact CG2-CE1 4.03Å; I4-Y6 HydrophobicContact CG2-CE2 3.59Å; I4-Y6 HydrophobicContact CG2-CG 4.39Å; I4-Y6 WeakPolarHBondContact O-CD2 3.36Å; I4-Y6 PolarHBondContact O-N 2.72Å; Y6-D8 PolarHBondContact O-N 3.28Å; Y6-P34 HydrophobicContact CD1-CB 3.61Å; Y6-P34 HydrophobicContact CE1-CB 3.83Å; Y6-P34 HydrophobicContact CG-CB 4.27Å; Y6-H36 HydrophobicContact CD1-CB 4.22Å; Y6-H36 HydrophobicContact CG-CB 4.21Å; Y6-R79 HydrophobicContact CE1-CB 3.87Å; Y6-R79 HydrophobicContact CE1-CG 4.25Å; Y6-V81 HydrophobicContact CE1-CG2 3.97Å
7V96.6Very high85Confident19 Ų1965.9 Ų65.912%0.11536%0.364CS..EExtended strand (participates in β ladder)trans-80.3116159.7-171.20000108.6I9 K33 P34 V35 H36 I330 M331V7-I9 HydrophobicContact CG1-CD1 3.88Å; V7-I9 HydrophobicContact CG1-CG1 4.32Å; V7-K33 HydrophobicContact CG2-CD 3.44Å; V7-K33 VanDerWaalsContact CG2-CD 3.44Å; V7-K33 HydrophobicContact CG2-CG 3.91Å; V7-K33 VanDerWaalsContact CG2-NZ 3.34Å; V7-P34 PolarHBondContact N-O 2.92Å; V7-V35 HydrophobicContact CB-CG1 4.36Å; V7-V35 WeakPolarHBondContact O-CA 3.47Å; V7-H36 PolarHBondContact O-N 2.63Å; V7-I330 HydrophobicContact CG1-CG2 4.07Å; V7-M331 HydrophobicContact CB-SD 4.11Å; V7-M331 HydrophobicContact CG1-SD 3.83Å; V7-M331 HydrophobicContact CG2-SD 4.34Å
8D96.5Very high85.1Confident103 Ų10362.8 Ų62.855%0.55135%0.35SS*.EExtended strand (participates in β ladder)trans-74.8124.6172.7-77.2-37.8000110.6Y6 H36 F38Y6-D8 PolarHBondContact O-N 3.28Å; D8-H36 WeakPolarHBondContact CA-O 3.44Å; D8-H36 WeakPolarHBondContact OD1-CB 3.39Å; D8-H36 IonicContact OD1-CE1 2.83Å; D8-H36 IonicContact OD1-CG 3.44Å; D8-H36 IonicContact OD1-ND1 3.29Å; D8-H36 PolarHBondContact OD1-ND1 2.93Å; D8-F38 HydrophobicContact CB-CE1 4.13Å
9I95.2Very high85.4Confident1 Ų159.8 Ų59.81%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-125.5117.5177.7-57.5-66.7000109V7 G11 I20 A24 H36 I37 F38 I330 M331V7-I9 HydrophobicContact CG1-CD1 3.88Å; V7-I9 HydrophobicContact CG1-CG1 4.32Å; I9-G11 PolarHBondContact O-N 2.91Å; I9-I20 HydrophobicContact CG2-CG2 3.39Å; I9-A24 HydrophobicContact CG1-CB 4.31Å; I9-A24 HydrophobicContact CG2-CB 4.27Å; I9-H36 PolarHBondContact N-O 2.9Å; I9-I37 HydrophobicContact CB-CG1 4.3Å; I9-I37 HydrophobicContact CG2-CG2 4.46Å; I9-I37 WeakPolarHBondContact O-CA 3.21Å; I9-F38 WeakPolarHBondContact O-CD1 3.46Å; I9-F38 PolarHBondContact O-N 3.21Å; I9-F38 VanDerWaalsContact O-N 3.12Å; I9-I330 HydrophobicContact CD1-CG2 3.9Å; I9-M331 HydrophobicContact CD1-CG 4.44Å; I9-M331 HydrophobicContact CD1-SD 4.05Å; I9-M331 HydrophobicContact CG1-SD 4.49Å
10D94.5Very high85.8Confident45 Ų4556.9 Ų56.924%0.24132%0.316CS..EExtended strand (participates in β ladder)trans-80.5107.9174.2-171.2-20.9000110.4G12 V13 I20 F38 N39D10-G12 PolarHBondContact O-N 3.46Å; D10-G12 WeakPolarHBondContact OD1-CA 3.16Å; D10-G12 PolarHBondContact OD1-N 2.64Å; D10-V13 HydrophobicContact CB-CG2 3.76Å; D10-V13 PolarHBondContact O-N 3.07Å; D10-I20 WeakPolarHBondContact O-CD1 3.15Å; D10-F38 HydrophobicContact CB-CE1 4.32Å; D10-F38 HydrophobicContact CB-CE2 3.85Å; D10-F38 HydrophobicContact CB-CZ 3.65Å; D10-N39 WeakPolarHBondContact OD1-CB 3.45Å; D10-N39 PolarHBondContact OD1-ND2 3.07Å; D10-N39 VanDerWaalsContact OD1-ND2 3.08Å; D10-N39 PolarHBondContact OD2-ND2 2.93Å
11G91.2Very high86.1Confident3 Ų354.5 Ų54.53%0.03130%0.303CS..THydrogen-bonded Turntrans-71.8-2.5177.700000115.2I9 G16 F38 N39I9-G11 PolarHBondContact O-N 2.91Å; G11-G16 CarbonylContact O-C 3.5Å; G11-G16 WeakPolarHBondContact O-CA 3.14Å; G11-F38 WeakPolarHBondContact CA-O 2.95Å; G11-F38 PolarHBondContact N-O 2.98Å; G11-N39 CarbonylContact C-O 3.51Å; G11-N39 VanDerWaalsContact C-O 3.25Å
12G88.1Confident88.3Confident29 Ų2944.7 Ų44.730%0.29925%0.253SS..THydrogen-bonded Turntrans-93.9-10.9175.700000114.4D10 N39D10-G12 PolarHBondContact O-N 3.46Å; D10-G12 WeakPolarHBondContact OD1-CA 3.16Å; D10-G12 PolarHBondContact OD1-N 2.64Å; G12-N39 PolarHBondContact N-O 3.01Å
13V86.9Confident90Very high41 Ų4140.2 Ų40.225%0.24822%0.221CC..SBendtrans-69.3147.8-177.6170.90000111.6D10 E15 G16 I20 Y326D10-V13 HydrophobicContact CB-CG2 3.76Å; D10-V13 PolarHBondContact O-N 3.07Å; V13-E15 PolarHBondContact O-N 3.29Å; V13-G16 PolarHBondContact O-N 3.11Å; V13-I20 HydrophobicContact CB-CD1 4.13Å; V13-I20 WeakPolarHBondContact O-CD1 3.42Å; V13-Y326 HydrophobicContact CB-CE1 4.4Å; V13-Y326 HydrophobicContact CG1-CD1 4.29Å; V13-Y326 HydrophobicContact CG1-CE1 3.93Å
14L88.2Confident90.7Very high82 Ų8232.1 Ų32.143%0.42918%0.177SC..THydrogen-bonded Turntrans54.1-113.4177-65.2164.2000113.2G16 L319 T323 Y326L14-G16 PolarHBondContact O-N 2.9Å; L14-L319 HydrophobicContact CB-CD1 4.14Å; L14-L319 HydrophobicContact CD2-CD1 3.95Å; L14-T323 HydrophobicContact CB-CG2 4.49Å; L14-T323 VanDerWaalsContact CB-OG1 3.23Å; L14-T323 WeakPolarHBondContact CB-OG1 3.49Å; L14-Y326 HydrophobicContact CD1-CG 4.17Å
15E83.1Confident91.2Very high18 Ų1828.8 Ų28.88%0.08416%0.16CC..THydrogen-bonded Turntrans-70.1-15.7179.370.591.3-173.800113.3V13 G17 G18 Q19 R44 L319 T323V13-E15 PolarHBondContact O-N 3.29Å; E15-G17 VanDerWaalsContact C-N 3.31Å; E15-G17 PolarHBondContact O-N 2.8Å; E15-G17 WeakPolarHBondContact OE1-CA 3.48Å; E15-G17 PolarHBondContact OE1-N 2.91Å; E15-G17 VanDerWaalsContact OE1-N 3.13Å; E15-G17 WeakPolarHBondContact OE2-CA 3.37Å; E15-G17 PolarHBondContact OE2-N 2.88Å; E15-G17 VanDerWaalsContact OE2-N 3.13Å; E15-G18 PolarHBondContact OE1-N 3.41Å; E15-Q19 HydrophobicContact CG-CB 4.35Å; E15-Q19 WeakPolarHBondContact OE1-CB 3.25Å; E15-Q19 PolarHBondContact OE1-N 2.94Å; E15-R44 PolarHBondContact O-NH2 2.7Å; E15-R44 IonicContact OE2-CZ 2.89Å; E15-R44 IonicContact OE2-NH2 3.73Å; E15-R44 PolarHBondContact OE2-NH2 2.93Å; E15-L319 HydrophobicContact CB-CD2 3.95Å; E15-L319 HydrophobicContact CB-CG 4.04Å; E15-T323 HydrophobicContact CG-CG2 3.85Å; E15-T323 WeakPolarHBondContact CG-OG1 3.2Å; E15-T323 PolarHBondContact N-OG1 2.96Å
16G77.4Confident91.5Very high3 Ų322.7 Ų22.73%0.03113%0.128CC..  trans56.243.3174.700000112.7G11 V13 L14 R41G11-G16 CarbonylContact O-C 3.5Å; G11-G16 WeakPolarHBondContact O-CA 3.14Å; V13-G16 PolarHBondContact O-N 3.11Å; L14-G16 PolarHBondContact O-N 2.9Å; G16-R41 WeakPolarHBondContact O-CA 3.28Å
17G79.4Confident91.5Very high6 Ų620 Ų206%0.06212%0.117CC..SBendtrans-150-141-171.300000114.2E15 Q19E15-G17 VanDerWaalsContact C-N 3.31Å; E15-G17 PolarHBondContact O-N 2.8Å; E15-G17 WeakPolarHBondContact OE1-CA 3.48Å; E15-G17 PolarHBondContact OE1-N 2.91Å; E15-G17 VanDerWaalsContact OE1-N 3.13Å; E15-G17 WeakPolarHBondContact OE2-CA 3.37Å; E15-G17 PolarHBondContact OE2-N 2.88Å; E15-G17 VanDerWaalsContact OE2-N 3.13Å; G17-Q19 PolarHBondContact O-N 2.83Å
18G86.4Confident91.5Very high11 Ų1119 Ų1911%0.11311%0.111CC..Hα-helixtrans-75.1-20.6-16700000114.7E15 F21 R22E15-G18 PolarHBondContact OE1-N 3.41Å; G18-F21 PolarHBondContact O-N 3.03Å; G18-R22 VanDerWaalsContact O-CG 3.31Å; G18-R22 WeakPolarHBondContact O-CG 3.41Å; G18-R22 PolarHBondContact O-N 3.16Å
19Q91.4Very high91.6Very high6 Ų614.2 Ų14.23%0.0289%0.086CC..Hα-helixtrans-71.9-43.9-173.7-169.569.7-13.900111.7E15 G17 F21 R22 M23 D297 T323 A324E15-Q19 HydrophobicContact CG-CB 4.35Å; E15-Q19 WeakPolarHBondContact OE1-CB 3.25Å; E15-Q19 PolarHBondContact OE1-N 2.94Å; G17-Q19 PolarHBondContact O-N 2.83Å; Q19-F21 VanDerWaalsContact C-N 3.27Å; Q19-F21 PolarHBondContact O-N 3.41Å; Q19-R22 PolarHBondContact O-N 3.41Å; Q19-M23 HydrophobicContact CG-CG 4.44Å; Q19-M23 WeakPolarHBondContact O-CB 3.44Å; Q19-M23 VanDerWaalsContact O-CG 3.31Å; Q19-M23 WeakPolarHBondContact O-CG 3.45Å; Q19-M23 PolarHBondContact O-N 3.45Å; Q19-D297 PolarHBondContact NE2-O 3.29Å; Q19-D297 PolarHBondContact NE2-OD2 2.85Å; Q19-T323 HydrophobicContact CB-CG2 4.05Å; Q19-T323 HydrophobicContact CG-CG2 4.26Å; Q19-A324 HydrophobicContact CG-CB 4.17Å
20I92.8Very high91.6Very high0 Ų014.2 Ų14.20%09%0.086CC..Hα-helixtrans-56.4-48.5174.7-64.2-174.9000110I9 D10 V13 R22 M23 A24 T323 V327I9-I20 HydrophobicContact CG2-CG2 3.39Å; D10-I20 WeakPolarHBondContact O-CD1 3.15Å; V13-I20 HydrophobicContact CB-CD1 4.13Å; V13-I20 WeakPolarHBondContact O-CD1 3.42Å; I20-R22 PolarHBondContact O-N 3.05Å; I20-M23 PolarHBondContact O-N 3.12Å; I20-A24 VanDerWaalsContact O-CB 3.22Å; I20-A24 WeakPolarHBondContact O-CB 3.31Å; I20-A24 PolarHBondContact O-N 3.3Å; I20-T323 HydrophobicContact CB-CG2 4.41Å; I20-T323 HydrophobicContact CD1-CG2 3.93Å; I20-T323 HydrophobicContact CG1-CG2 3.19Å; I20-V327 HydrophobicContact CB-CG2 4.25Å; I20-V327 HydrophobicContact CG1-CG2 4.12Å; I20-V327 HydrophobicContact CG2-CG2 3.97Å
21F92.2Very high91.7Very high7 Ų712.9 Ų12.93%0.0318%0.079CC..Hα-helixtrans-60.9-45.7-176.7-168.2-100.4000112.5G18 Q19 L25 I37 I40 L49 H53 L57 I78G18-F21 PolarHBondContact O-N 3.03Å; Q19-F21 VanDerWaalsContact C-N 3.27Å; Q19-F21 PolarHBondContact O-N 3.41Å; F21-L25 HydrophobicContact CD1-CD1 3.75Å; F21-L25 HydrophobicContact CD2-CD1 4.49Å; F21-L25 HydrophobicContact CE1-CD1 3.29Å; F21-L25 HydrophobicContact CE2-CD1 4.09Å; F21-L25 HydrophobicContact CG-CD1 4.34Å; F21-L25 HydrophobicContact CZ-CD1 3.49Å; F21-L25 VanDerWaalsContact CZ-CD1 3.49Å; F21-L25 WeakPolarHBondContact O-CB 3.45Å; F21-L25 WeakPolarHBondContact O-CG 3.43Å; F21-L25 PolarHBondContact O-N 3.15Å; F21-I37 HydrophobicContact CD2-CD1 4.01Å; F21-I37 HydrophobicContact CD2-CG2 4.5Å; F21-I37 HydrophobicContact CE2-CD1 4.25Å; F21-I40 HydrophobicContact CD2-CD1 4.49Å; F21-I40 HydrophobicContact CE2-CD1 4.15Å; F21-L49 HydrophobicContact CD2-CD2 4.41Å; F21-L49 HydrophobicContact CE1-CD2 4.18Å; F21-L49 HydrophobicContact CE2-CD2 3.65Å; F21-L49 HydrophobicContact CZ-CD2 3.49Å; F21-L49 VanDerWaalsContact CZ-CD2 3.49Å; F21-H53 HydrophobicContact CD1-CB 4.44Å; F21-H53 HydrophobicContact CE1-CB 4.16Å; F21-L57 HydrophobicContact CE1-CB 4.15Å; F21-L57 HydrophobicContact CZ-CB 3.91Å; F21-L57 HydrophobicContact CZ-CD1 4.1Å; F21-L57 HydrophobicContact CZ-CD2 4.14Å; F21-L57 HydrophobicContact CZ-CG 4.28Å; F21-I78 HydrophobicContact CE2-CG1 4.28Å
22R95.2Very high91.9Very high34 Ų3415.6 Ų15.613%0.1289%0.089CC..Hα-helixtrans-64.5-47.5178.4-70.8-175.4-68.2-98.75.7111.9G18 Q19 I20 A26 I106G18-R22 VanDerWaalsContact O-CG 3.31Å; G18-R22 WeakPolarHBondContact O-CG 3.41Å; G18-R22 PolarHBondContact O-N 3.16Å; Q19-R22 PolarHBondContact O-N 3.41Å; I20-R22 PolarHBondContact O-N 3.05Å; R22-A26 WeakPolarHBondContact O-CB 3.3Å; R22-A26 PolarHBondContact O-N 3.25Å; R22-A26 VanDerWaalsContact O-N 3.08Å; R22-I106 HydrophobicContact CB-CB 4.27Å; R22-I106 HydrophobicContact CB-CG1 4.25Å; R22-I106 HydrophobicContact CG-CB 4Å; R22-I106 HydrophobicContact CG-CD1 4.31Å; R22-I106 HydrophobicContact CG-CG1 4.27Å
23M96.7Very high92.3Very high10 Ų1017.4 Ų17.45%0.0499%0.089CC..Hα-helixtrans-64.2-47.9-179.1-70.8-67.8-62.900111.7Q19 I20 L25 A26 C27 I300 I301 A324 V327 A328Q19-M23 HydrophobicContact CG-CG 4.44Å; Q19-M23 WeakPolarHBondContact O-CB 3.44Å; Q19-M23 VanDerWaalsContact O-CG 3.31Å; Q19-M23 WeakPolarHBondContact O-CG 3.45Å; Q19-M23 PolarHBondContact O-N 3.45Å; I20-M23 PolarHBondContact O-N 3.12Å; M23-L25 PolarHBondContact O-N 2.8Å; M23-A26 PolarHBondContact O-N 3.42Å; M23-C27 WeakPolarHBondContact O-CB 3.49Å; M23-C27 PolarHBondContact O-N 3.29Å; M23-C27 PolarHBondContact O-SG 2.94Å; M23-I300 HydrophobicContact CE-CG2 4.49Å; M23-I301 HydrophobicContact CE-CB 3.77Å; M23-I301 HydrophobicContact CE-CD1 4.25Å; M23-I301 HydrophobicContact CE-CG1 4.15Å; M23-I301 HydrophobicContact SD-CB 3.81Å; M23-I301 HydrophobicContact SD-CD1 4.09Å; M23-I301 HydrophobicContact SD-CG1 4.38Å; M23-A324 HydrophobicContact CE-CB 4.45Å; M23-A324 HydrophobicContact CG-CB 4.35Å; M23-A324 HydrophobicContact SD-CB 4.38Å; M23-V327 HydrophobicContact CB-CB 3.86Å; M23-V327 HydrophobicContact CB-CG1 3.59Å; M23-V327 HydrophobicContact CB-CG2 4.43Å; M23-A328 HydrophobicContact CE-CB 4.05Å
24A96.8Very high92.8Very high0 Ų016.6 Ų16.60%08%0.084CC..Hα-helixtrans-62.6-41.8-176.800000112I9 I20 S28 I37 V327I9-A24 HydrophobicContact CG1-CB 4.31Å; I9-A24 HydrophobicContact CG2-CB 4.27Å; I20-A24 VanDerWaalsContact O-CB 3.22Å; I20-A24 WeakPolarHBondContact O-CB 3.31Å; I20-A24 PolarHBondContact O-N 3.3Å; A24-S28 WeakPolarHBondContact O-CB 3.43Å; A24-S28 PolarHBondContact O-N 3.13Å; A24-I37 HydrophobicContact CB-CD1 3.75Å; A24-I37 HydrophobicContact CB-CG1 4.43Å; A24-V327 HydrophobicContact CB-CG1 4.13Å
25L97.7Very high93.3Very high0 Ų012.7 Ų12.70%06%0.064CC..Hα-helixtrans-69.5-42.4177.2-70.2174.6000112.6F21 M23 S28 V29 V35 I37 L57 M60 I78 F80 I106F21-L25 HydrophobicContact CD1-CD1 3.75Å; F21-L25 HydrophobicContact CD2-CD1 4.49Å; F21-L25 HydrophobicContact CE1-CD1 3.29Å; F21-L25 HydrophobicContact CE2-CD1 4.09Å; F21-L25 HydrophobicContact CG-CD1 4.34Å; F21-L25 HydrophobicContact CZ-CD1 3.49Å; F21-L25 VanDerWaalsContact CZ-CD1 3.49Å; F21-L25 WeakPolarHBondContact O-CB 3.45Å; F21-L25 WeakPolarHBondContact O-CG 3.43Å; F21-L25 PolarHBondContact O-N 3.15Å; M23-L25 PolarHBondContact O-N 2.8Å; L25-S28 WeakPolarHBondContact O-CB 3.49Å; L25-S28 PolarHBondContact O-N 3.43Å; L25-V29 WeakPolarHBondContact O-CG2 3.44Å; L25-V29 PolarHBondContact O-N 3.41Å; L25-V35 HydrophobicContact CD2-CG2 4.47Å; L25-I37 HydrophobicContact CD2-CD1 4.3Å; L25-I37 HydrophobicContact CG-CD1 4.27Å; L25-L57 HydrophobicContact CD1-CB 4.41Å; L25-L57 HydrophobicContact CD1-CD1 3.71Å; L25-L57 HydrophobicContact CD2-CD1 3.7Å; L25-L57 HydrophobicContact CG-CD1 4.38Å; L25-M60 HydrophobicContact CB-CG 4.19Å; L25-M60 HydrophobicContact CD1-CG 4.48Å; L25-I78 HydrophobicContact CD2-CD1 4.32Å; L25-F80 HydrophobicContact CD2-CB 4.26Å; L25-F80 HydrophobicContact CD2-CD1 3.66Å; L25-F80 HydrophobicContact CD2-CE1 4.21Å; L25-F80 HydrophobicContact CD2-CG 4Å; L25-I106 HydrophobicContact CB-CD1 4.21Å; L25-I106 HydrophobicContact CD1-CD1 3.78Å
26A97.7Very high94Very high1 Ų113 Ų131%0.0087%0.065CC..Hα-helixtrans-60.9-47.5176.600000111.2R22 M23 V29 L30 P109 C110 I301R22-A26 WeakPolarHBondContact O-CB 3.3Å; R22-A26 PolarHBondContact O-N 3.25Å; R22-A26 VanDerWaalsContact O-N 3.08Å; M23-A26 PolarHBondContact O-N 3.42Å; A26-V29 PolarHBondContact O-N 3.41Å; A26-L30 WeakPolarHBondContact O-CG 3.35Å; A26-L30 PolarHBondContact O-N 3.44Å; A26-L30 VanDerWaalsContact O-N 3.08Å; A26-P109 HydrophobicContact CB-CB 4.48Å; A26-C110 PolarHBondContact O-SG 2.86Å; A26-I301 HydrophobicContact CB-CD1 3.64Å
27C97.1Very high94.9Very high0 Ų012.9 Ų12.90%06%0.064CC..Hα-helixtrans-64.9-40.6176-64.50000112.3M23 V29 L30 L31 M331M23-C27 WeakPolarHBondContact O-CB 3.49Å; M23-C27 PolarHBondContact O-N 3.29Å; M23-C27 PolarHBondContact O-SG 2.94Å; C27-V29 PolarHBondContact O-N 3.01Å; C27-L30 PolarHBondContact O-N 3.49Å; C27-L31 VanDerWaalsContact O-CB 3.28Å; C27-L31 WeakPolarHBondContact O-CB 3.44Å; C27-L31 VanDerWaalsContact O-CG 3.22Å; C27-L31 WeakPolarHBondContact O-CG 3.33Å; C27-L31 PolarHBondContact O-N 3.07Å; C27-M331 HydrophobicContact CB-CB 3.61Å; C27-M331 HydrophobicContact CB-CE 3.82Å; C27-M331 HydrophobicContact CB-CG 3.96Å
28S97.5Very high95.7Very high0 Ų015.5 Ų15.50%07%0.074CC..Hα-helixtrans-54.6-52.3175.71760000110.8A24 L25 L30 L31 K32 K33 F80 P82A24-S28 WeakPolarHBondContact O-CB 3.43Å; A24-S28 PolarHBondContact O-N 3.13Å; L25-S28 WeakPolarHBondContact O-CB 3.49Å; L25-S28 PolarHBondContact O-N 3.43Å; S28-L30 PolarHBondContact O-N 2.9Å; S28-L31 PolarHBondContact O-N 3.38Å; S28-K32 WeakPolarHBondContact O-CA 2.92Å; S28-K32 PolarHBondContact O-N 3.31Å; S28-K33 WeakPolarHBondContact CB-O 3.45Å; S28-K33 PolarHBondContact O-N 2.62Å; S28-K33 PolarHBondContact OG-O 3.22Å; S28-F80 WeakPolarHBondContact OG-CD1 3.3Å; S28-P82 VanDerWaalsContact O-CG 3.3Å; S28-P82 WeakPolarHBondContact O-CG 3.34Å; S28-P82 WeakPolarHBondContact OG-CD 3.49Å; S28-P82 WeakPolarHBondContact OG-CG 3.49Å
29V97.6Very high96.1Very high2 Ų218.3 Ų18.31%0.0129%0.087CC..Hα-helixtrans-60.7-47179.61700000112.1L25 A26 C27 K32 M60 F80 P82 L85 C110L25-V29 WeakPolarHBondContact O-CG2 3.44Å; L25-V29 PolarHBondContact O-N 3.41Å; A26-V29 PolarHBondContact O-N 3.41Å; C27-V29 PolarHBondContact O-N 3.01Å; V29-K32 PolarHBondContact O-N 2.9Å; V29-M60 HydrophobicContact CB-CE 4.05Å; V29-M60 HydrophobicContact CG2-CB 4.39Å; V29-M60 HydrophobicContact CG2-CE 3.68Å; V29-F80 HydrophobicContact CG2-CE1 3.7Å; V29-F80 HydrophobicContact CG2-CZ 3.93Å; V29-P82 HydrophobicContact CG2-CB 4.29Å; V29-L85 HydrophobicContact CG1-CB 4.31Å; V29-L85 HydrophobicContact CG1-CD1 3.86Å; V29-L85 HydrophobicContact CG1-CD2 4.5Å; V29-L85 HydrophobicContact CG1-CG 4.43Å; V29-C110 HydrophobicContact CG1-CB 4.11Å
30L96.8Very high96.2Very high1 Ų118.3 Ų18.31%0.0059%0.086CC..Hα-helixtrans-64.1-42.4-178.8-71.7169.3000112.4A26 C27 S28 K32 L85 F113 L305 Y355A26-L30 WeakPolarHBondContact O-CG 3.35Å; A26-L30 PolarHBondContact O-N 3.44Å; A26-L30 VanDerWaalsContact O-N 3.08Å; C27-L30 PolarHBondContact O-N 3.49Å; S28-L30 PolarHBondContact O-N 2.9Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3Å; L30-L85 HydrophobicContact CD2-CD2 4.46Å; L30-F113 HydrophobicContact CD2-CB 4.04Å; L30-F113 HydrophobicContact CD2-CD2 3.76Å; L30-F113 HydrophobicContact CD2-CG 4.28Å; L30-L305 HydrophobicContact CD1-CD1 3.57Å; L30-L305 HydrophobicContact CD1-CD2 3.95Å; L30-L305 HydrophobicContact CD1-CG 4.43Å; L30-Y355 HydrophobicContact CB-CE2 4.23Å; L30-Y355 HydrophobicContact CD2-CD1 4.46Å; L30-Y355 HydrophobicContact CD2-CE1 3.77Å; L30-Y355 VanDerWaalsContact O-CE2 3.25Å; L30-Y355 WeakPolarHBondContact O-CE2 3.47Å; L30-Y355 PolarHBondContact O-OH 3.21Å
31L95.5Very high96.2Very high17 Ų1720.5 Ų20.59%0.08910%0.095CC..THydrogen-bonded Turntrans-87.10.6-176.6-59.1-179.5000113.7C27 S28 K33 M331 L332 Y355 L362C27-L31 VanDerWaalsContact O-CB 3.28Å; C27-L31 WeakPolarHBondContact O-CB 3.44Å; C27-L31 VanDerWaalsContact O-CG 3.22Å; C27-L31 WeakPolarHBondContact O-CG 3.33Å; C27-L31 PolarHBondContact O-N 3.07Å; S28-L31 PolarHBondContact O-N 3.38Å; L31-K33 HydrophobicContact CB-CB 3.97Å; L31-K33 PolarHBondContact O-N 2.88Å; L31-K33 VanDerWaalsContact O-N 3.07Å; L31-M331 WeakPolarHBondContact CD1-O 3.4Å; L31-L332 HydrophobicContact CD1-CD2 3.93Å; L31-L332 HydrophobicContact CD2-CD2 3.94Å; L31-L332 HydrophobicContact CG-CD2 4.12Å; L31-Y355 HydrophobicContact CD2-CD2 4.39Å; L31-Y355 HydrophobicContact CD2-CE2 4.45Å; L31-L362 HydrophobicContact CD1-CD1 4.42Å; L31-L362 HydrophobicContact CD2-CD1 4.17Å; L31-L362 HydrophobicContact CD2-CD2 3.64Å; L31-L362 HydrophobicContact CD2-CG 3.72Å
32K95.7Very high96Very high60 Ų6022.8 Ų22.826%0.26112%0.115SC..THydrogen-bonded Turntrans47.935.3-169.4-61.6-176.7179.2-177.30112.6S28 V29 L30 P82 E84 T360S28-K32 WeakPolarHBondContact O-CA 2.92Å; S28-K32 PolarHBondContact O-N 3.31Å; V29-K32 PolarHBondContact O-N 2.9Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3Å; K32-P82 VanDerWaalsContact C-CG 3.49Å; K32-E84 IonicContact NZ-OE1 2.8Å; K32-E84 PolarHBondContact NZ-OE1 2.83Å; K32-E84 IonicContact NZ-OE2 2.74Å; K32-E84 PolarHBondContact NZ-OE2 2.95Å; K32-T360 HydrophobicContact CD-CG2 4.26Å
33K95.9Very high95.4Very high66 Ų6624.4 Ų24.429%0.28714%0.142SC..  trans-105.2121.4-172-163170.2-168.3-172.80111.3V7 S28 L31V7-K33 HydrophobicContact CG2-CD 3.44Å; V7-K33 VanDerWaalsContact CG2-CD 3.44Å; V7-K33 HydrophobicContact CG2-CG 3.91Å; V7-K33 VanDerWaalsContact CG2-NZ 3.34Å; S28-K33 WeakPolarHBondContact CB-O 3.45Å; S28-K33 PolarHBondContact O-N 2.62Å; S28-K33 PolarHBondContact OG-O 3.22Å; L31-K33 HydrophobicContact CB-CB 3.97Å; L31-K33 PolarHBondContact O-N 2.88Å; L31-K33 VanDerWaalsContact O-N 3.07Å
34P97.8Very high94.9Very high24 Ų2429 Ų2916%0.15616%0.159CC..  trans-58.1137.4174.3-24.234.4000112.1I4 Y6 V7 F80 V81I4-P34 HydrophobicContact CG2-CB 3.65Å; I4-P34 HydrophobicContact CG2-CG 3.6Å; Y6-P34 HydrophobicContact CD1-CB 3.61Å; Y6-P34 HydrophobicContact CE1-CB 3.83Å; Y6-P34 HydrophobicContact CG-CB 4.27Å; V7-P34 PolarHBondContact N-O 2.92Å; P34-F80 WeakPolarHBondContact CA-O 3.32Å; P34-V81 HydrophobicContact CB-CG2 4.26Å; P34-V81 HydrophobicContact CG-CG1 4.3Å
35V97.9Very high94.4Very high0 Ų038.2 Ų38.20%020%0.202CC..EExtended strand (participates in β ladder)trans-126.3141.1176.8-65.20000111.4V7 L25 I37 F80 M331V7-V35 HydrophobicContact CB-CG1 4.36Å; V7-V35 WeakPolarHBondContact O-CA 3.47Å; L25-V35 HydrophobicContact CD2-CG2 4.47Å; V35-I37 HydrophobicContact CB-CG1 4.47Å; V35-I37 HydrophobicContact CG2-CD1 4.4Å; V35-I37 HydrophobicContact CG2-CG1 4.26Å; V35-F80 HydrophobicContact CG2-CB 3.99Å; V35-F80 HydrophobicContact CG2-CD1 4.16Å; V35-F80 PolarHBondContact N-O 3.06Å; V35-F80 PolarHBondContact O-N 2.96Å; V35-M331 HydrophobicContact CG1-CE 3.5Å; V35-M331 HydrophobicContact CG1-SD 4.13Å
36H97.8Very high94Very high24 Ų2442.4 Ų42.411%0.11122%0.223CC..EExtended strand (participates in β ladder)trans-113.8110.5168.2170-131.9000107.6Y6 V7 D8 I9 F38 E77 I78 R79Y6-H36 HydrophobicContact CD1-CB 4.22Å; Y6-H36 HydrophobicContact CG-CB 4.21Å; V7-H36 PolarHBondContact O-N 2.63Å; D8-H36 WeakPolarHBondContact CA-O 3.44Å; D8-H36 WeakPolarHBondContact OD1-CB 3.39Å; D8-H36 IonicContact OD1-CE1 2.83Å; D8-H36 IonicContact OD1-CG 3.44Å; D8-H36 IonicContact OD1-ND1 3.29Å; D8-H36 PolarHBondContact OD1-ND1 2.93Å; I9-H36 PolarHBondContact N-O 2.9Å; H36-F38 AromaticContact CE1-CD1 3.81Å; H36-E77 IonicContact NE2-OE2 3.5Å; H36-E77 PolarHBondContact NE2-OE2 2.96Å; H36-I78 WeakPolarHBondContact CA-O 3.41Å; H36-I78 PolarHBondContact CD2-O 2.9Å; H36-R79 HydrophobicContact CB-CG 4.27Å; H36-R79 PolarHBondContact NE2-NH2 3.44Å
37I97Very high93.8Very high1 Ų145.1 Ų45.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-106116.3179.4-47.1179.1000107.6I9 F21 A24 L25 V35 I40 E77 I78I9-I37 HydrophobicContact CB-CG1 4.3Å; I9-I37 HydrophobicContact CG2-CG2 4.46Å; I9-I37 WeakPolarHBondContact O-CA 3.21Å; F21-I37 HydrophobicContact CD2-CD1 4.01Å; F21-I37 HydrophobicContact CD2-CG2 4.5Å; F21-I37 HydrophobicContact CE2-CD1 4.25Å; A24-I37 HydrophobicContact CB-CD1 3.75Å; A24-I37 HydrophobicContact CB-CG1 4.43Å; L25-I37 HydrophobicContact CD2-CD1 4.3Å; L25-I37 HydrophobicContact CG-CD1 4.27Å; V35-I37 HydrophobicContact CB-CG1 4.47Å; V35-I37 HydrophobicContact CG2-CD1 4.4Å; V35-I37 HydrophobicContact CG2-CG1 4.26Å; I37-I40 HydrophobicContact CG2-CD1 4.45Å; I37-I40 HydrophobicContact CG2-CG1 3.94Å; I37-E77 CarbonylContact O-C 3.59Å; I37-E77 WeakPolarHBondContact O-CA 3.47Å; I37-I78 HydrophobicContact CB-CD1 4.34Å; I37-I78 HydrophobicContact CB-CG1 4.05Å; I37-I78 HydrophobicContact CD1-CD1 4.12Å; I37-I78 HydrophobicContact CG1-CD1 4.15Å; I37-I78 HydrophobicContact CG1-CG1 4.42Å; I37-I78 PolarHBondContact N-O 3.12Å; I37-I78 PolarHBondContact O-N 2.9Å
38F96.1Very high93.7Very high61 Ų6145.1 Ų45.127%0.26824%0.241SC..EExtended strand (participates in β ladder)trans-116.3174.6178.162.4-82.5000110.7D8 I9 D10 G11 H36 I40 T76 E77D8-F38 HydrophobicContact CB-CE1 4.13Å; I9-F38 WeakPolarHBondContact O-CD1 3.46Å; I9-F38 PolarHBondContact O-N 3.21Å; I9-F38 VanDerWaalsContact O-N 3.12Å; D10-F38 HydrophobicContact CB-CE1 4.32Å; D10-F38 HydrophobicContact CB-CE2 3.85Å; D10-F38 HydrophobicContact CB-CZ 3.65Å; G11-F38 WeakPolarHBondContact CA-O 2.95Å; G11-F38 PolarHBondContact N-O 2.98Å; H36-F38 AromaticContact CE1-CD1 3.81Å; F38-I40 PolarHBondContact O-N 3.44Å; F38-I40 VanDerWaalsContact O-N 3.13Å; F38-T76 CarbonylContact C-O 3.58Å; F38-E77 HydrophobicContact CB-CB 4.22Å
39N94.9Very high93.5Very high71 Ų7145.1 Ų45.138%0.3824%0.241SC..SBendtrans53.232.3-176-67.2-23000114.2D10 G11 G12 R41 A42 T76D10-N39 WeakPolarHBondContact OD1-CB 3.45Å; D10-N39 PolarHBondContact OD1-ND2 3.07Å; D10-N39 VanDerWaalsContact OD1-ND2 3.08Å; D10-N39 PolarHBondContact OD2-ND2 2.93Å; G11-N39 CarbonylContact C-O 3.51Å; G11-N39 VanDerWaalsContact C-O 3.25Å; G12-N39 PolarHBondContact N-O 3.01Å; N39-R41 PolarHBondContact O-N 2.97Å; N39-A42 HydrophobicContact CB-CB 3.94Å; N39-A42 WeakPolarHBondContact O-CB 3.35Å; N39-A42 PolarHBondContact O-N 3.46Å; N39-T76 PolarHBondContact N-O 2.97Å
40I94Very high93.3Very high5 Ų549.3 Ų49.33%0.02626%0.257CS..THydrogen-bonded Turntrans-57.8113.9-176.4-63.4170.1000109.5F21 I37 F38 A42 G48 L49 T76 I78F21-I40 HydrophobicContact CD2-CD1 4.49Å; F21-I40 HydrophobicContact CE2-CD1 4.15Å; I37-I40 HydrophobicContact CG2-CD1 4.45Å; I37-I40 HydrophobicContact CG2-CG1 3.94Å; F38-I40 PolarHBondContact O-N 3.44Å; F38-I40 VanDerWaalsContact O-N 3.13Å; I40-A42 VanDerWaalsContact C-N 3.28Å; I40-A42 PolarHBondContact O-N 3.44Å; I40-G48 WeakPolarHBondContact O-CA 3.3Å; I40-G48 PolarHBondContact O-N 2.76Å; I40-L49 HydrophobicContact CD1-CD2 4.23Å; I40-L49 HydrophobicContact CD1-CG 4.4Å; I40-L49 HydrophobicContact CG2-CD2 4Å; I40-L49 HydrophobicContact CG2-CG 4.47Å; I40-T76 WeakPolarHBondContact CG1-O 3.13Å; I40-T76 PolarHBondContact N-O 3.48Å; I40-I78 HydrophobicContact CD1-CG1 4.02Å; I40-I78 HydrophobicContact CD1-CG2 4.06Å
41R91.9Very high93.1Very high47 Ų4751 Ų5118%0.17727%0.268CS..THydrogen-bonded Turntrans57.630.7-176.7-54.4166.761.8113.81.8114.9G16 N39 G43 R44 I46 G48 R50 H53G16-R41 WeakPolarHBondContact O-CA 3.28Å; N39-R41 PolarHBondContact O-N 2.97Å; R41-G43 PolarHBondContact O-N 3.45Å; R41-G43 VanDerWaalsContact O-N 3.13Å; R41-R44 HydrophobicContact CB-CB 4.16Å; R41-R44 HydrophobicContact CB-CG 3.94Å; R41-R44 HydrophobicContact CG-CG 4.47Å; R41-R44 PolarHBondContact O-N 2.89Å; R41-I46 PolarHBondContact NE-O 3.18Å; R41-G48 WeakPolarHBondContact CD-O 3.26Å; R41-R50 VanDerWaalsContact CZ-CG 3.46Å; R41-H53 VanDerWaalsContact CD-CE1 3.47Å; R41-H53 WeakPolarHBondContact CD-CE1 3.43Å; R41-H53 PolarHBondContact NH1-CE1 2.82Å
42A88.7Confident93Very high54 Ų5452.9 Ų52.945%0.44628%0.276SS..THydrogen-bonded Turntrans-54.8-32.4-178.100000113.9N39 I40N39-A42 HydrophobicContact CB-CB 3.94Å; N39-A42 WeakPolarHBondContact O-CB 3.35Å; N39-A42 PolarHBondContact O-N 3.46Å; I40-A42 VanDerWaalsContact C-N 3.28Å; I40-A42 PolarHBondContact O-N 3.44Å
43G82.2Confident92.8Very high68 Ų6850.7 Ų50.770%0.70127%0.267SS*.THydrogen-bonded Turntrans-84.92.4178.200000115.9R41R41-G43 PolarHBondContact O-N 3.45Å; R41-G43 VanDerWaalsContact O-N 3.13Å
44R85.9Confident92.9Very high106 Ų10648.9 Ų48.940%0.426%0.26SS..SBendtrans-98.6155.2-178.5-56.9-61.4-173.2154.62110.7E15 R41 I46E15-R44 PolarHBondContact O-NH2 2.7Å; E15-R44 IonicContact OE2-CZ 2.89Å; E15-R44 IonicContact OE2-NH2 3.73Å; E15-R44 PolarHBondContact OE2-NH2 2.93Å; R41-R44 HydrophobicContact CB-CB 4.16Å; R41-R44 HydrophobicContact CB-CG 3.94Å; R41-R44 HydrophobicContact CG-CG 4.47Å; R41-R44 PolarHBondContact O-N 2.89Å; R44-I46 PolarHBondContact O-N 2.85Å
45Q86.8Confident92.8Very high194 Ų19448.2 Ų48.291%0.90726%0.256SS*.SBendtrans-51.1-36.6179.6-171.8-173.316.600113.6
46I89.9Confident92.8Very high88 Ų8848.3 Ų48.345%0.45126%0.257SS..SBendtrans-123.4104.1173.2-58.1169.5000107.3R41 R44 R50R41-I46 PolarHBondContact NE-O 3.18Å; R44-I46 PolarHBondContact O-N 2.85Å; I46-R50 VanDerWaalsContact CG2-NH1 3.32Å
47P92.8Very high92.8Very high59 Ų5947.1 Ų47.138%0.38325%0.252SS..  trans-66.6169.5175-22.634.8000113.4T76P47-T76 HydrophobicContact CB-CG2 4.44Å
48G94.7Very high92.8Very high0 Ų049.7 Ų49.70%027%0.266CS..SBendtrans77.4168.8174.200000115I40 R41 R50 S75I40-G48 WeakPolarHBondContact O-CA 3.3Å; I40-G48 PolarHBondContact O-N 2.76Å; R41-G48 WeakPolarHBondContact CD-O 3.26Å; G48-R50 PolarHBondContact O-N 2.92Å; G48-S75 CarbonylContact C-O 3.45Å; G48-S75 WeakPolarHBondContact CA-O 3.45Å
49L94.6Very high92.9Very high0 Ų046.9 Ų46.90%025%0.253CS..  trans-55132.4-175.5-66.8175.9000112.3F21 I40 H53 L57 E72 G74 S75 I78F21-L49 HydrophobicContact CD2-CD2 4.41Å; F21-L49 HydrophobicContact CE1-CD2 4.18Å; F21-L49 HydrophobicContact CE2-CD2 3.65Å; F21-L49 HydrophobicContact CZ-CD2 3.49Å; F21-L49 VanDerWaalsContact CZ-CD2 3.49Å; I40-L49 HydrophobicContact CD1-CD2 4.23Å; I40-L49 HydrophobicContact CD1-CG 4.4Å; I40-L49 HydrophobicContact CG2-CD2 4Å; I40-L49 HydrophobicContact CG2-CG 4.47Å; L49-H53 HydrophobicContact CB-CB 4.48Å; L49-H53 HydrophobicContact CD2-CB 3.63Å; L49-L57 HydrophobicContact CD1-CD2 3.86Å; L49-E72 WeakPolarHBondContact CB-O 3.1Å; L49-G74 PolarHBondContact O-N 2.87Å; L49-S75 PolarHBondContact N-O 2.82Å; L49-I78 HydrophobicContact CD1-CG2 3.93Å
50R93Very high93.1Very high89 Ų8943.5 Ų43.534%0.33624%0.235SC..  trans-101.1164.2170.5-62.8-56.1-62.5-119.1-1.8109.5R41 I46 G48 Q52 H53 L54R41-R50 VanDerWaalsContact CZ-CG 3.46Å; I46-R50 VanDerWaalsContact CG2-NH1 3.32Å; G48-R50 PolarHBondContact O-N 2.92Å; R50-Q52 PolarHBondContact O-N 3.24Å; R50-Q52 VanDerWaalsContact O-N 3.07Å; R50-H53 WeakPolarHBondContact O-CA 3.43Å; R50-H53 WeakPolarHBondContact O-CB 3.27Å; R50-H53 PolarHBondContact O-N 3.23Å; R50-L54 PolarHBondContact O-N 2.79Å
51P92.4Very high93.3Very high38 Ų3847.4 Ų47.425%0.24725%0.25CC..Hα-helixtrans-50.1-40.1-176.4-31.937.7000114.8H53 L54 A55 I73 T96P51-H53 PolarHBondContact O-N 3.28Å; P51-L54 PolarHBondContact O-N 3.37Å; P51-A55 WeakPolarHBondContact O-CB 3.45Å; P51-A55 PolarHBondContact O-N 2.85Å; P51-I73 HydrophobicContact CB-CD1 4.31Å; P51-I73 HydrophobicContact CG-CD1 3.92Å; P51-T96 HydrophobicContact CB-CG2 3.92Å; P51-T96 HydrophobicContact CG-CG2 4.04Å
52Q92.1Very high93.6Very high56 Ų5648.2 Ų48.226%0.26226%0.258SS..Hα-helixtrans-65.2-36.817677.6-17724.700113.4R50 G56R50-Q52 PolarHBondContact O-N 3.24Å; R50-Q52 VanDerWaalsContact O-N 3.07Å; Q52-G56 PolarHBondContact O-N 3.05Å; Q52-G56 VanDerWaalsContact O-N 3.08Å
53H93.5Very high94Very high13 Ų1345.7 Ų45.76%0.0624%0.236CC..Hα-helixtrans-72.7-43179.7-57162.6000110.2F21 R41 L49 R50 P51 G56 L57F21-H53 HydrophobicContact CD1-CB 4.44Å; F21-H53 HydrophobicContact CE1-CB 4.16Å; R41-H53 VanDerWaalsContact CD-CE1 3.47Å; R41-H53 WeakPolarHBondContact CD-CE1 3.43Å; R41-H53 PolarHBondContact NH1-CE1 2.82Å; L49-H53 HydrophobicContact CB-CB 4.48Å; L49-H53 HydrophobicContact CD2-CB 3.63Å; R50-H53 WeakPolarHBondContact O-CA 3.43Å; R50-H53 WeakPolarHBondContact O-CB 3.27Å; R50-H53 PolarHBondContact O-N 3.23Å; P51-H53 PolarHBondContact O-N 3.28Å; H53-G56 PolarHBondContact O-N 3.16Å; H53-L57 WeakPolarHBondContact O-CB 3.5Å; H53-L57 PolarHBondContact O-N 3.48Å
54L95.9Very high94.7Very high29 Ų2942.4 Ų42.415%0.15220%0.203CC..Hα-helixtrans-61.1-45.9175.1178.255.4000111.3R50 P51 G56 L57 L58 G71 I73R50-L54 PolarHBondContact O-N 2.79Å; P51-L54 PolarHBondContact O-N 3.37Å; L54-G56 VanDerWaalsContact C-N 3.32Å; L54-G56 PolarHBondContact O-N 2.8Å; L54-L57 PolarHBondContact O-N 2.87Å; L54-L58 HydrophobicContact CD1-CD1 3.96Å; L54-L58 HydrophobicContact CD1-CD2 4.29Å; L54-L58 HydrophobicContact CD1-CG 3.84Å; L54-L58 HydrophobicContact CG-CD1 4.03Å; L54-L58 HydrophobicContact CG-CG 4.33Å; L54-L58 WeakPolarHBondContact O-CG 3.4Å; L54-L58 PolarHBondContact O-N 3.45Å; L54-G71 WeakPolarHBondContact CD1-O 3.28Å; L54-I73 HydrophobicContact CB-CD1 3.94Å; L54-I73 HydrophobicContact CD2-CD1 3.65Å; L54-I73 HydrophobicContact CD2-CG1 3.92Å; L54-I73 HydrophobicContact CG-CD1 4.46Å
55A97.1Very high95.2Very high9 Ų942.5 Ų42.57%0.07421%0.211CC..Hα-helixtrans-59.5-42.6176.700000112.3P51 L59 V92 T94 L103P51-A55 WeakPolarHBondContact O-CB 3.45Å; P51-A55 PolarHBondContact O-N 2.85Å; A55-L59 WeakPolarHBondContact O-CB 3.42Å; A55-L59 PolarHBondContact O-N 2.93Å; A55-V92 HydrophobicContact CB-CG1 3.89Å; A55-T94 HydrophobicContact CB-CG2 3.98Å; A55-L103 HydrophobicContact CB-CD2 4.22Å
56G97.2Very high95.7Very high2 Ų233.9 Ų33.92%0.02117%0.174CC..Hα-helixtrans-62.8-45.3173.600000112.5Q52 H53 L54 L59 M60Q52-G56 PolarHBondContact O-N 3.05Å; Q52-G56 VanDerWaalsContact O-N 3.08Å; H53-G56 PolarHBondContact O-N 3.16Å; L54-G56 VanDerWaalsContact C-N 3.32Å; L54-G56 PolarHBondContact O-N 2.8Å; G56-L59 WeakPolarHBondContact O-CB 3.24Å; G56-L59 PolarHBondContact O-N 3.37Å; G56-M60 VanDerWaalsContact O-CG 3.3Å; G56-M60 WeakPolarHBondContact O-CG 3.41Å; G56-M60 PolarHBondContact O-N 3.45Å
57L97.6Very high96.1Very high0 Ų036.4 Ų36.40%018%0.184CC..Hα-helixtrans-61.5-45.9178.7179.161.4000112.7F21 L25 L49 H53 L54 L59 M60 R61 L68 I78F21-L57 HydrophobicContact CE1-CB 4.15Å; F21-L57 HydrophobicContact CZ-CB 3.91Å; F21-L57 HydrophobicContact CZ-CD1 4.1Å; F21-L57 HydrophobicContact CZ-CD2 4.14Å; F21-L57 HydrophobicContact CZ-CG 4.28Å; L25-L57 HydrophobicContact CD1-CB 4.41Å; L25-L57 HydrophobicContact CD1-CD1 3.71Å; L25-L57 HydrophobicContact CD2-CD1 3.7Å; L25-L57 HydrophobicContact CG-CD1 4.38Å; L49-L57 HydrophobicContact CD1-CD2 3.86Å; H53-L57 WeakPolarHBondContact O-CB 3.5Å; H53-L57 PolarHBondContact O-N 3.48Å; L54-L57 PolarHBondContact O-N 2.87Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L57-M60 PolarHBondContact O-N 2.8Å; L57-R61 PolarHBondContact O-N 3.01Å; L57-L68 HydrophobicContact CD1-CD1 3.97Å; L57-L68 HydrophobicContact CD1-CD2 4.47Å; L57-L68 HydrophobicContact CD2-CD1 3.83Å; L57-L68 HydrophobicContact CD2-CD2 3.67Å; L57-L68 HydrophobicContact CD2-CG 4.38Å; L57-L68 HydrophobicContact CG-CD1 4.11Å; L57-L68 HydrophobicContact CG-CD2 3.8Å; L57-I78 HydrophobicContact CD1-CD1 4.19Å; L57-I78 HydrophobicContact CD2-CG2 4.11Å
58L97.9Very high96.4Very high55 Ų5535.5 Ų35.529%0.28818%0.176SC..Hα-helixtrans-64.8-38.9177.3-66176.7000111.1L54 R61 D62 L68L54-L58 HydrophobicContact CD1-CD1 3.96Å; L54-L58 HydrophobicContact CD1-CD2 4.29Å; L54-L58 HydrophobicContact CD1-CG 3.84Å; L54-L58 HydrophobicContact CG-CD1 4.03Å; L54-L58 HydrophobicContact CG-CG 4.33Å; L54-L58 WeakPolarHBondContact O-CG 3.4Å; L54-L58 PolarHBondContact O-N 3.45Å; L58-R61 WeakPolarHBondContact O-CB 3.47Å; L58-R61 PolarHBondContact O-N 2.73Å; L58-D62 WeakPolarHBondContact O-CB 3.31Å; L58-D62 PolarHBondContact O-N 2.97Å; L58-L68 HydrophobicContact CD2-CD2 4.21Å
59L98.3Very high96.5Very high2 Ų239.9 Ų39.91%0.0120%0.203CC..Hα-helixtrans-58.9-47.9171.5174.959.4000111.4A55 G56 L57 R61 D62 I63 V92 A107 L120A55-L59 WeakPolarHBondContact O-CB 3.42Å; A55-L59 PolarHBondContact O-N 2.93Å; G56-L59 WeakPolarHBondContact O-CB 3.24Å; G56-L59 PolarHBondContact O-N 3.37Å; L57-L59 VanDerWaalsContact C-N 3.32Å; L59-R61 VanDerWaalsContact C-N 3.3Å; L59-R61 PolarHBondContact O-N 3.08Å; L59-D62 PolarHBondContact O-N 3.19Å; L59-D62 VanDerWaalsContact O-N 3.13Å; L59-I63 HydrophobicContact CD1-CG2 3.62Å; L59-I63 HydrophobicContact CG-CG2 4.38Å; L59-I63 WeakPolarHBondContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG2 3.25Å; L59-I63 PolarHBondContact O-N 3.04Å; L59-V92 HydrophobicContact CB-CG2 3.78Å; L59-V92 HydrophobicContact CD1-CG2 3.63Å; L59-V92 HydrophobicContact CD2-CG2 4.03Å; L59-V92 HydrophobicContact CG-CG2 3.99Å; L59-A107 HydrophobicContact CD2-CB 3.6Å; L59-A107 HydrophobicContact CG-CB 4.39Å; L59-L120 HydrophobicContact CD1-CD1 3.76Å; L59-L120 HydrophobicContact CD1-CD2 4.44Å; L59-L120 HydrophobicContact CD2-CD1 4.35Å; L59-L120 HydrophobicContact CD2-CD2 3.89Å
60M98.4Very high96.4Very high0 Ų042 Ų420%022%0.224CC..Hα-helixtrans-62.7-37.7179.1-63.7-49.7-72.900112.1L25 V29 G56 L57 I63 S64 I106 A107 C110L25-M60 HydrophobicContact CB-CG 4.19Å; L25-M60 HydrophobicContact CD1-CG 4.48Å; V29-M60 HydrophobicContact CB-CE 4.05Å; V29-M60 HydrophobicContact CG2-CB 4.39Å; V29-M60 HydrophobicContact CG2-CE 3.68Å; G56-M60 VanDerWaalsContact O-CG 3.3Å; G56-M60 WeakPolarHBondContact O-CG 3.41Å; G56-M60 PolarHBondContact O-N 3.45Å; L57-M60 PolarHBondContact O-N 2.8Å; M60-I63 HydrophobicContact CE-CD1 4.05Å; M60-I63 HydrophobicContact SD-CD1 3.74Å; M60-S64 VanDerWaalsContact O-CB 3.31Å; M60-S64 WeakPolarHBondContact O-CB 3.45Å; M60-S64 PolarHBondContact O-N 3.08Å; M60-S64 PolarHBondContact O-OG 3.42Å; M60-I106 HydrophobicContact CG-CD1 3.67Å; M60-I106 HydrophobicContact CG-CG1 3.83Å; M60-I106 HydrophobicContact SD-CD1 4.37Å; M60-I106 HydrophobicContact SD-CG1 3.87Å; M60-A107 HydrophobicContact SD-CB 4.48Å; M60-C110 HydrophobicContact CE-CB 4.2Å; M60-C110 WeakPolarHBondContact CE-SG 3.2Å
61R98.2Very high96.5Very high87 Ų8738.2 Ų38.233%0.32821%0.213SC..Hα-helixtrans-59.5-48.5170.9-178.9-155.765.6-173.4-2.3111.4L57 L58 L59 S64 N65 G66 F80L57-R61 PolarHBondContact O-N 3.01Å; L58-R61 WeakPolarHBondContact O-CB 3.47Å; L58-R61 PolarHBondContact O-N 2.73Å; L59-R61 VanDerWaalsContact C-N 3.3Å; L59-R61 PolarHBondContact O-N 3.08Å; R61-S64 CarbonylContact O-C 3.5Å; R61-S64 PolarHBondContact O-N 3.4Å; R61-S64 PolarHBondContact O-OG 2.84Å; R61-N65 WeakPolarHBondContact O-CA 3.42Å; R61-N65 PolarHBondContact O-N 2.93Å; R61-G66 WeakPolarHBondContact CG-O 3.3Å; R61-G66 PolarHBondContact O-N 3.33Å; R61-F80 HydrophobicContact CB-CE2 4.03Å
62D98.2Very high96.6Very high64 Ų6443.3 Ų43.334%0.34223%0.234SC..Hα-helixtrans-68-47.5-173.8-66.5-12.9000111.8L58 L59 S64 N65 Y90L58-D62 WeakPolarHBondContact O-CB 3.31Å; L58-D62 PolarHBondContact O-N 2.97Å; L59-D62 PolarHBondContact O-N 3.19Å; L59-D62 VanDerWaalsContact O-N 3.13Å; D62-S64 PolarHBondContact O-N 3.3Å; D62-N65 PolarHBondContact O-N 2.85Å; D62-Y90 HydrophobicContact CB-CD1 4.28Å; D62-Y90 HydrophobicContact CB-CE1 4.22Å
63I98Very high96.8Very high0 Ų045.4 Ų45.40%025%0.246CC..Hα-helixtrans-67-24.6-179.568.7-179.2000112.6L59 M60 L85 S86 Y90 C110 L111L59-I63 HydrophobicContact CD1-CG2 3.62Å; L59-I63 HydrophobicContact CG-CG2 4.38Å; L59-I63 WeakPolarHBondContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG2 3.25Å; L59-I63 PolarHBondContact O-N 3.04Å; M60-I63 HydrophobicContact CE-CD1 4.05Å; M60-I63 HydrophobicContact SD-CD1 3.74Å; I63-L85 HydrophobicContact CB-CD1 4.33Å; I63-L85 HydrophobicContact CD1-CD1 4.21Å; I63-L85 HydrophobicContact CG1-CD1 4.08Å; I63-L85 CarbonylContact O-C 2.91Å; I63-L85 WeakPolarHBondContact O-CA 3.49Å; I63-S86 PolarHBondContact O-N 3.28Å; I63-S86 PolarHBondContact O-OG 2.82Å; I63-Y90 HydrophobicContact CG2-CD1 4.22Å; I63-Y90 HydrophobicContact CG2-CD2 4.09Å; I63-Y90 HydrophobicContact CG2-CE1 4.06Å; I63-Y90 HydrophobicContact CG2-CE2 3.92Å; I63-Y90 HydrophobicContact CG2-CG 4.23Å; I63-C110 HydrophobicContact CD1-CB 4.05Å; I63-L111 HydrophobicContact CB-CD2 4.46Å; I63-L111 HydrophobicContact CD1-CD2 4.13Å; I63-L111 HydrophobicContact CG2-CD2 4.18Å
64S97.2Very high96.9Very high0 Ų046.7 Ų46.70%026%0.262CS..THydrogen-bonded Turntrans-101.91.7-179.7690000114M60 R61 D62 G66 F80 G83 E84M60-S64 VanDerWaalsContact O-CB 3.31Å; M60-S64 WeakPolarHBondContact O-CB 3.45Å; M60-S64 PolarHBondContact O-N 3.08Å; M60-S64 PolarHBondContact O-OG 3.42Å; R61-S64 CarbonylContact O-C 3.5Å; R61-S64 PolarHBondContact O-N 3.4Å; R61-S64 PolarHBondContact O-OG 2.84Å; D62-S64 PolarHBondContact O-N 3.3Å; S64-G66 PolarHBondContact O-N 3.34Å; S64-G66 VanDerWaalsContact O-N 3.11Å; S64-F80 WeakPolarHBondContact OG-CZ 3.35Å; S64-G83 CarbonylContact O-C 3.6Å; S64-G83 WeakPolarHBondContact O-CA 3.17Å; S64-G83 PolarHBondContact O-N 3.3Å; S64-E84 CarbonylContact C-O 3.26Å; S64-E84 VanDerWaalsContact C-O 3.26Å; S64-E84 CarbonylContact O-C 3.48Å; S64-E84 PolarHBondContact O-N 3.45Å
65N96.3Very high96.9Very high108 Ų10846.4 Ų46.458%0.57826%0.263SS*.THydrogen-bonded Turntrans49.436-171.6-57.8-73.7000112.6R61 D62 E84 S86R61-N65 WeakPolarHBondContact O-CA 3.42Å; R61-N65 PolarHBondContact O-N 2.93Å; D62-N65 PolarHBondContact O-N 2.85Å; N65-E84 PolarHBondContact ND2-O 3.19Å; N65-S86 PolarHBondContact ND2-OG 3.08Å
66G97.2Very high96.9Very high12 Ų1249.5 Ų49.512%0.12428%0.281CS..  trans-83166.2-172.300000113.8R61 S64 V81R61-G66 WeakPolarHBondContact CG-O 3.3Å; R61-G66 PolarHBondContact O-N 3.33Å; S64-G66 PolarHBondContact O-N 3.34Å; S64-G66 VanDerWaalsContact O-N 3.11Å; G66-V81 CarbonylContact C-O 3.51Å; G66-V81 WeakPolarHBondContact CA-O 3.42Å
67Q97.9Very high96.9Very high142 Ų14253.6 Ų53.666%0.66430%0.299SS*.EExtended strand (participates in β ladder)trans-104.2140.1172.1-58.2178.811.700109.9F80 V81Q67-F80 WeakPolarHBondContact O-CD2 3.36Å; Q67-V81 HydrophobicContact CB-CB 4.33Å; Q67-V81 PolarHBondContact N-O 3.08Å; Q67-V81 PolarHBondContact O-N 3.13Å
68L97.9Very high96.9Very high40 Ų4053.6 Ų53.621%0.20930%0.299CS..EExtended strand (participates in β ladder)trans-129.4126.8-177.5178.463.5000109.9L57 L58 I78 F80L57-L68 HydrophobicContact CD1-CD1 3.97Å; L57-L68 HydrophobicContact CD1-CD2 4.47Å; L57-L68 HydrophobicContact CD2-CD1 3.83Å; L57-L68 HydrophobicContact CD2-CD2 3.67Å; L57-L68 HydrophobicContact CD2-CG 4.38Å; L57-L68 HydrophobicContact CG-CD1 4.11Å; L57-L68 HydrophobicContact CG-CD2 3.8Å; L58-L68 HydrophobicContact CD2-CD2 4.21Å; L68-I78 HydrophobicContact CD1-CB 4.23Å; L68-I78 HydrophobicContact CD1-CD1 4.43Å; L68-F80 HydrophobicContact CD1-CB 4.4Å; L68-F80 HydrophobicContact CD1-CD2 4.34Å
69T97.1Very high96.9Very high92 Ų9255.1 Ų55.156%0.56430%0.301SS*.EExtended strand (participates in β ladder)trans-113133.8165.9-56.10000108.8I78 R79T69-I78 WeakPolarHBondContact O-CA 3.22Å; T69-R79 PolarHBondContact N-O 3.34Å; T69-R79 PolarHBondContact O-N 3.24Å
70G94Very high96.9Very high43 Ų4355 Ų5544%0.44330%0.301SS..EExtended strand (participates in β ladder)trans81.3-151.5-161.500000110.4
71G93.8Very high96.9Very high10 Ų1056.5 Ų56.510%0.10331%0.31CS..  trans84.940.1178.200000113.4L54 S75L54-G71 WeakPolarHBondContact CD1-O 3.28Å; G71-S75 PolarHBondContact N-OG 2.93Å
72E95.7Very high96.8Very high146 Ų14653 Ų5368%0.68230%0.298SS*.SBendtrans-111.5162.8169.2-63-178.2-177.500109.4L49 G74 S75L49-E72 WeakPolarHBondContact CB-O 3.1Å; E72-G74 PolarHBondContact O-N 2.85Å; E72-S75 PolarHBondContact N-OG 3.41Å; E72-S75 WeakPolarHBondContact O-CB 3.33Å; E72-S75 PolarHBondContact O-N 2.93Å; E72-S75 PolarHBondContact O-OG 2.86Å; E72-S75 VanDerWaalsContact O-OG 3.07Å
73I95.3Very high96.7Very high100 Ų10051 Ų5151%0.51329%0.293SS..THydrogen-bonded Turntrans-59.7127.8172.9-62.4-60.1000108.9P51 L54P51-I73 HydrophobicContact CB-CD1 4.31Å; P51-I73 HydrophobicContact CG-CD1 3.92Å; L54-I73 HydrophobicContact CB-CD1 3.94Å; L54-I73 HydrophobicContact CD2-CD1 3.65Å; L54-I73 HydrophobicContact CD2-CG1 3.92Å; L54-I73 HydrophobicContact CG-CD1 4.46Å
74G95.3Very high96.6Very high40 Ų4055.2 Ų55.241%0.41231%0.312SS..THydrogen-bonded Turntrans88.6-6.8-176.400000115L49 E72 T76L49-G74 PolarHBondContact O-N 2.87Å; E72-G74 PolarHBondContact O-N 2.85Å; G74-T76 PolarHBondContact O-N 3.49Å
75S96.8Very high96.6Very high23 Ų2355.8 Ų55.816%0.16132%0.315CS..  trans-56.8124.4173.2-61.40000110.6G48 L49 G71 E72G48-S75 CarbonylContact C-O 3.45Å; G48-S75 WeakPolarHBondContact CA-O 3.45Å; L49-S75 PolarHBondContact N-O 2.82Å; G71-S75 PolarHBondContact N-OG 2.93Å; E72-S75 PolarHBondContact N-OG 3.41Å; E72-S75 WeakPolarHBondContact O-CB 3.33Å; E72-S75 PolarHBondContact O-N 2.93Å; E72-S75 PolarHBondContact O-OG 2.86Å; E72-S75 VanDerWaalsContact O-OG 3.07Å
76T96Very high96.5Very high73 Ų7351.9 Ų51.945%0.44830%0.297SS..SBendtrans-93.7-12.3176.5500000112.8F38 N39 I40 P47 G74F38-T76 CarbonylContact C-O 3.58Å; N39-T76 PolarHBondContact N-O 2.97Å; I40-T76 WeakPolarHBondContact CG1-O 3.13Å; I40-T76 PolarHBondContact N-O 3.48Å; P47-T76 HydrophobicContact CB-CG2 4.44Å; G74-T76 PolarHBondContact O-N 3.49Å
77E97.3Very high96.5Very high88 Ų8851.7 Ų51.741%0.41130%0.295SS..  trans-134.4150.717165.9172.413900110.9H36 I37 F38 R79H36-E77 IonicContact NE2-OE2 3.5Å; H36-E77 PolarHBondContact NE2-OE2 2.96Å; I37-E77 CarbonylContact O-C 3.59Å; I37-E77 WeakPolarHBondContact O-CA 3.47Å; F38-E77 HydrophobicContact CB-CB 4.22Å; E77-R79 IonicContact OE2-CZ 2.98Å; E77-R79 IonicContact OE2-NH1 2.64Å; E77-R79 PolarHBondContact OE2-NH1 2.85Å; E77-R79 IonicContact OE2-NH2 2.83Å; E77-R79 PolarHBondContact OE2-NH2 3.32Å
78I97.9Very high96.5Very high1 Ų146.1 Ų46.11%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-141.4148.3168.761.9106.6000110.3F21 L25 H36 I37 I40 L49 L57 L68 T69 F80F21-I78 HydrophobicContact CE2-CG1 4.28Å; L25-I78 HydrophobicContact CD2-CD1 4.32Å; H36-I78 WeakPolarHBondContact CA-O 3.41Å; H36-I78 PolarHBondContact CD2-O 2.9Å; I37-I78 HydrophobicContact CB-CD1 4.34Å; I37-I78 HydrophobicContact CB-CG1 4.05Å; I37-I78 HydrophobicContact CD1-CD1 4.12Å; I37-I78 HydrophobicContact CG1-CD1 4.15Å; I37-I78 HydrophobicContact CG1-CG1 4.42Å; I37-I78 PolarHBondContact N-O 3.12Å; I37-I78 PolarHBondContact O-N 2.9Å; I40-I78 HydrophobicContact CD1-CG1 4.02Å; I40-I78 HydrophobicContact CD1-CG2 4.06Å; L49-I78 HydrophobicContact CD1-CG2 3.93Å; L57-I78 HydrophobicContact CD1-CD1 4.19Å; L57-I78 HydrophobicContact CD2-CG2 4.11Å; L68-I78 HydrophobicContact CD1-CB 4.23Å; L68-I78 HydrophobicContact CD1-CD1 4.43Å; T69-I78 WeakPolarHBondContact O-CA 3.22Å; I78-F80 HydrophobicContact CD1-CB 3.8Å
79R98.3Very high96.5Very high87 Ų8752.5 Ų52.533%0.32830%0.304SS..EExtended strand (participates in β ladder)trans-114.9122.8165.7-67.8175.4-178.16911.5108.3Y6 H36 T69 E77Y6-R79 HydrophobicContact CE1-CB 3.87Å; Y6-R79 HydrophobicContact CE1-CG 4.25Å; H36-R79 HydrophobicContact CB-CG 4.27Å; H36-R79 PolarHBondContact NE2-NH2 3.44Å; T69-R79 PolarHBondContact N-O 3.34Å; T69-R79 PolarHBondContact O-N 3.24Å; E77-R79 IonicContact OE2-CZ 2.98Å; E77-R79 IonicContact OE2-NH1 2.64Å; E77-R79 PolarHBondContact OE2-NH1 2.85Å; E77-R79 IonicContact OE2-NH2 2.83Å; E77-R79 PolarHBondContact OE2-NH2 3.32Å
80F98.4Very high96.6Very high0 Ų050.2 Ų50.20%029%0.286CS..EExtended strand (participates in β ladder)trans-124.7123.3-176.1178.5-113.5000109.8L25 S28 V29 P34 V35 R61 S64 Q67 L68 I78 P82L25-F80 HydrophobicContact CD2-CB 4.26Å; L25-F80 HydrophobicContact CD2-CD1 3.66Å; L25-F80 HydrophobicContact CD2-CE1 4.21Å; L25-F80 HydrophobicContact CD2-CG 4Å; S28-F80 WeakPolarHBondContact OG-CD1 3.3Å; V29-F80 HydrophobicContact CG2-CE1 3.7Å; V29-F80 HydrophobicContact CG2-CZ 3.93Å; P34-F80 WeakPolarHBondContact CA-O 3.32Å; V35-F80 HydrophobicContact CG2-CB 3.99Å; V35-F80 HydrophobicContact CG2-CD1 4.16Å; V35-F80 PolarHBondContact N-O 3.06Å; V35-F80 PolarHBondContact O-N 2.96Å; R61-F80 HydrophobicContact CB-CE2 4.03Å; S64-F80 WeakPolarHBondContact OG-CZ 3.35Å; Q67-F80 WeakPolarHBondContact O-CD2 3.36Å; L68-F80 HydrophobicContact CD1-CB 4.4Å; L68-F80 HydrophobicContact CD1-CD2 4.34Å; I78-F80 HydrophobicContact CD1-CB 3.8Å; F80-P82 HydrophobicContact CE1-CB 3.93Å; F80-P82 HydrophobicContact CZ-CB 4.25Å
81V98.1Very high96.8Very high31 Ų3152.5 Ų52.519%0.18829%0.291CS..EExtended strand (participates in β ladder)trans-113.9102.9177.5-178.80000106.9I4 Y6 P34 G66 Q67I4-V81 HydrophobicContact CD1-CG2 4.16Å; I4-V81 HydrophobicContact CG2-CG2 4.44Å; Y6-V81 HydrophobicContact CE1-CG2 3.97Å; P34-V81 HydrophobicContact CB-CG2 4.26Å; P34-V81 HydrophobicContact CG-CG1 4.3Å; G66-V81 CarbonylContact C-O 3.51Å; G66-V81 WeakPolarHBondContact CA-O 3.42Å; Q67-V81 HydrophobicContact CB-CB 4.33Å; Q67-V81 PolarHBondContact N-O 3.08Å; Q67-V81 PolarHBondContact O-N 3.13Å
82P97.2Very high97Very high12 Ų1252.7 Ų52.78%0.07829%0.291CS..  trans-68.9150.317931.3-37000110.6S28 V29 K32 F80S28-P82 VanDerWaalsContact O-CG 3.3Å; S28-P82 WeakPolarHBondContact O-CG 3.34Å; S28-P82 WeakPolarHBondContact OG-CD 3.49Å; S28-P82 WeakPolarHBondContact OG-CG 3.49Å; V29-P82 HydrophobicContact CG2-CB 4.29Å; K32-P82 VanDerWaalsContact C-CG 3.49Å; F80-P82 HydrophobicContact CE1-CB 3.93Å; F80-P82 HydrophobicContact CZ-CB 4.25Å
83G95.9Very high97Very high23 Ų2348.2 Ų48.224%0.23727%0.271CS..  trans-112.5-141.7171.200000111.7S64 L85S64-G83 CarbonylContact O-C 3.6Å; S64-G83 WeakPolarHBondContact O-CA 3.17Å; S64-G83 PolarHBondContact O-N 3.3Å; G83-L85 PolarHBondContact O-N 2.85Å
84E94.9Very high96.9Very high88 Ų8843.7 Ų43.741%0.41125%0.248SC..  trans-76.5118.4176.5-68.6-61.6143.300112K32 S64 N65 S86 K115K32-E84 IonicContact NZ-OE1 2.8Å; K32-E84 PolarHBondContact NZ-OE1 2.83Å; K32-E84 IonicContact NZ-OE2 2.74Å; K32-E84 PolarHBondContact NZ-OE2 2.95Å; S64-E84 CarbonylContact C-O 3.26Å; S64-E84 VanDerWaalsContact C-O 3.26Å; S64-E84 CarbonylContact O-C 3.48Å; S64-E84 PolarHBondContact O-N 3.45Å; N65-E84 PolarHBondContact ND2-O 3.19Å; E84-S86 PolarHBondContact O-N 2.77Å; E84-K115 WeakPolarHBondContact OE2-CE 3.38Å; E84-K115 IonicContact OE2-NZ 2.72Å; E84-K115 PolarHBondContact OE2-NZ 3.38Å
85L96.6Very high96.7Very high12 Ų1249.7 Ų49.76%0.06326%0.263CS..  trans-64.3128.8171177.964.5000111.3V29 L30 I63 G83 C110 F113 A114 K115V29-L85 HydrophobicContact CG1-CB 4.31Å; V29-L85 HydrophobicContact CG1-CD1 3.86Å; V29-L85 HydrophobicContact CG1-CD2 4.5Å; V29-L85 HydrophobicContact CG1-CG 4.43Å; L30-L85 HydrophobicContact CD2-CD2 4.46Å; I63-L85 HydrophobicContact CB-CD1 4.33Å; I63-L85 HydrophobicContact CD1-CD1 4.21Å; I63-L85 HydrophobicContact CG1-CD1 4.08Å; I63-L85 CarbonylContact O-C 2.91Å; I63-L85 WeakPolarHBondContact O-CA 3.49Å; G83-L85 PolarHBondContact O-N 2.85Å; L85-C110 HydrophobicContact CD1-CB 4.01Å; L85-C110 HydrophobicContact CD2-CB 4.27Å; L85-C110 VanDerWaalsContact CD2-O 3.31Å; L85-C110 WeakPolarHBondContact CD2-O 3.44Å; L85-F113 HydrophobicContact CD2-CB 4.44Å; L85-A114 HydrophobicContact CD1-CB 4.44Å; L85-A114 HydrophobicContact CD2-CB 4.39Å; L85-A114 HydrophobicContact CG-CB 4.13Å; L85-K115 WeakPolarHBondContact O-CG 3.22Å
86S95.7Very high96.5Very high26 Ų2651.3 Ų51.318%0.18227%0.272CS..  trans-137.7142-175.258.40000111.4I63 N65 E84 Y90I63-S86 PolarHBondContact O-N 3.28Å; I63-S86 PolarHBondContact O-OG 2.82Å; N65-S86 PolarHBondContact ND2-OG 3.08Å; E84-S86 PolarHBondContact O-N 2.77Å; S86-Y90 PolarHBondContact O-OH 2.87Å; S86-Y90 PolarHBondContact OG-OH 2.82Å; S86-Y90 VanDerWaalsContact OG-OH 3.12Å
87G96.7Very high96.3Very high9 Ų948.5 Ų48.59%0.09326%0.256CS..  trans-84-169.8167.600000111Y90 S116 T118G87-Y90 PolarHBondContact O-OH 3.3Å; G87-S116 WeakPolarHBondContact CA-O 3.45Å; G87-S116 VanDerWaalsContact CA-OG 3.25Å; G87-S116 WeakPolarHBondContact CA-OG 3.29Å; G87-S116 PolarHBondContact N-OG 3.2Å; G87-T118 WeakPolarHBondContact CA-OG1 3.35Å
88G97.9Very high96.2Very high25 Ų2544.4 Ų44.426%0.25824%0.237SC..EExtended strand (participates in β ladder)trans129.6-153.6-178.900000113.2P117 T118 T119G88-P117 PolarHBondContact N-O 2.87Å; G88-T118 CarbonylContact O-C 3.58Å; G88-T118 VanDerWaalsContact O-CA 3.27Å; G88-T118 WeakPolarHBondContact O-CA 3.29Å; G88-T118 WeakPolarHBondContact O-CG2 3.41Å; G88-T119 PolarHBondContact O-N 3.42Å
89E98.4Very high96.1Very high174 Ų17444.4 Ų44.481%0.81324%0.237SC*.EExtended strand (participates in β ladder)trans-108.6124-178.4-64.5-172.6-17600110.9T119E89-T119 WeakPolarHBondContact CA-O 3.36Å
90Y98.5Very high96.1Very high43 Ų4340.2 Ų40.217%0.16922%0.222CC..EExtended strand (participates in β ladder)trans-132146.8-179.3-60.5-86.6000110.3D62 I63 S86 G87 T118 T119 L120 V121D62-Y90 HydrophobicContact CB-CD1 4.28Å; D62-Y90 HydrophobicContact CB-CE1 4.22Å; I63-Y90 HydrophobicContact CG2-CD1 4.22Å; I63-Y90 HydrophobicContact CG2-CD2 4.09Å; I63-Y90 HydrophobicContact CG2-CE1 4.06Å; I63-Y90 HydrophobicContact CG2-CE2 3.92Å; I63-Y90 HydrophobicContact CG2-CG 4.23Å; S86-Y90 PolarHBondContact O-OH 2.87Å; S86-Y90 PolarHBondContact OG-OH 2.82Å; S86-Y90 VanDerWaalsContact OG-OH 3.12Å; G87-Y90 PolarHBondContact O-OH 3.3Å; Y90-T118 HydrophobicContact CD2-CG2 3.91Å; Y90-T118 HydrophobicContact CE2-CG2 4.25Å; Y90-T119 PolarHBondContact N-O 3.25Å; Y90-L120 WeakPolarHBondContact O-CA 3.22Å; Y90-V121 PolarHBondContact O-N 3.25Å
91T98.3Very high96.1Very high92 Ų9240.2 Ų40.256%0.56422%0.222SC*.EExtended strand (participates in β ladder)trans-126.6125.8171.3-65.70000109.4V121T91-V121 CarbonylContact C-O 3.59Å; T91-V121 WeakPolarHBondContact CA-O 3.31Å; T91-V121 HydrophobicContact CG2-CB 4.34Å; T91-V121 HydrophobicContact CG2-CG1 4.48Å
92V97.7Very high96Very high14 Ų1439.6 Ų39.69%0.08522%0.217CC..EExtended strand (participates in β ladder)trans-122132.6177.8-179.20000109A55 L59 L103 L120 V121 L122 K123A55-V92 HydrophobicContact CB-CG1 3.89Å; L59-V92 HydrophobicContact CB-CG2 3.78Å; L59-V92 HydrophobicContact CD1-CG2 3.63Å; L59-V92 HydrophobicContact CD2-CG2 4.03Å; L59-V92 HydrophobicContact CG-CG2 3.99Å; V92-L103 HydrophobicContact CG1-CD1 3.87Å; V92-L120 HydrophobicContact CG2-CD1 3.93Å; V92-V121 PolarHBondContact N-O 3.01Å; V92-L122 HydrophobicContact CB-CD2 4.02Å; V92-L122 HydrophobicContact CG2-CD2 4.47Å; V92-K123 PolarHBondContact O-N 2.9Å
93D96.8Very high96Very high52 Ų5239.2 Ų39.228%0.27822%0.215SC..EExtended strand (participates in β ladder)trans-131.1113.6179.6-171.5-12.3000109.7K95 K123D93-K95 HydrophobicContact CB-CD 4.28Å; D93-K95 PolarHBondContact O-N 2.98Å; D93-K95 WeakPolarHBondContact OD1-CA 3.43Å; D93-K95 PolarHBondContact OD1-N 3.1Å; D93-K95 WeakPolarHBondContact OD2-CD 3.35Å; D93-K95 WeakPolarHBondContact OD2-CE 3.5Å; D93-K95 IonicContact OD2-NZ 2.7Å; D93-K95 PolarHBondContact OD2-NZ 2.99Å; D93-K123 HydrophobicContact CB-CB 4.01Å; D93-K123 HydrophobicContact CB-CD 4.19Å
94T92.6Very high96.1Very high5 Ų538.1 Ų38.13%0.03120%0.203CC..  trans-68-10.5177.260.50000113A55 T96 L103 K123 G124A55-T94 HydrophobicContact CB-CG2 3.98Å; T94-T96 PolarHBondContact O-N 3.35Å; T94-T96 PolarHBondContact O-OG1 3.34Å; T94-T96 PolarHBondContact OG1-O 3.16Å; T94-T96 VanDerWaalsContact OG1-O 3.05Å; T94-L103 HydrophobicContact CG2-CD1 3.64Å; T94-L103 HydrophobicContact CG2-CG 4.41Å; T94-K123 PolarHBondContact N-O 3.14Å; T94-K123 PolarHBondContact OG1-O 3.36Å; T94-K123 VanDerWaalsContact OG1-O 3.11Å; T94-G124 VanDerWaalsContact OG1-CA 3.29Å; T94-G124 WeakPolarHBondContact OG1-CA 3.36Å
95K91.7Very high96.2Very high165 Ų16535 Ų3572%0.71719%0.189SC*.SBendtrans53.911.6-175.3-56.5-64.8177.3-168.40114.4D93D93-K95 HydrophobicContact CB-CD 4.28Å; D93-K95 PolarHBondContact O-N 2.98Å; D93-K95 WeakPolarHBondContact OD1-CA 3.43Å; D93-K95 PolarHBondContact OD1-N 3.1Å; D93-K95 WeakPolarHBondContact OD2-CD 3.35Å; D93-K95 WeakPolarHBondContact OD2-CE 3.5Å; D93-K95 IonicContact OD2-NZ 2.7Å; D93-K95 PolarHBondContact OD2-NZ 2.99Å
96T91.9Very high96.2Very high58 Ų5834.7 Ų34.736%0.35619%0.187SC..SBendtrans-150.2-169.2-170.858.50000108.9P51 T94 G98P51-T96 HydrophobicContact CB-CG2 3.92Å; P51-T96 HydrophobicContact CG-CG2 4.04Å; T94-T96 PolarHBondContact O-N 3.35Å; T94-T96 PolarHBondContact O-OG1 3.34Å; T94-T96 PolarHBondContact OG1-O 3.16Å; T94-T96 VanDerWaalsContact OG1-O 3.05Å; T96-G98 PolarHBondContact O-N 3.49Å; T96-G98 PolarHBondContact OG1-N 3.09Å
97A91.8Very high96.4Very high13 Ų1333.5 Ų33.511%0.10718%0.178CC..SBendtrans-85.536.3169.700000113.3A125 F162 P163A97-A125 HydrophobicContact CB-CB 4.04Å; A97-A125 WeakPolarHBondContact O-CB 3.44Å; A97-F162 HydrophobicContact CB-CB 4.21Å; A97-F162 HydrophobicContact CB-CD2 3.6Å; A97-F162 HydrophobicContact CB-CE2 4.39Å; A97-F162 HydrophobicContact CB-CG 4.29Å; A97-P163 WeakPolarHBondContact CB-O 3.14Å
98G94Very high96.4Very high2 Ų233 Ų332%0.02117%0.174CC..  trans-65138.7173.100000111.2T96 I100 G124 A125T96-G98 PolarHBondContact O-N 3.49Å; T96-G98 PolarHBondContact OG1-N 3.09Å; G98-I100 PolarHBondContact O-N 2.96Å; G98-G124 WeakPolarHBondContact O-CA 3.43Å; G98-A125 PolarHBondContact O-N 2.97Å
99S96.9Very high96.4Very high1 Ų131.9 Ų31.91%0.00716%0.162CC..BIsolated β-bridgetrans-67.3122-174.3175.50000112.2S101 L102 L103 A131S99-S101 VanDerWaalsContact C-N 3.29Å; S99-S101 PolarHBondContact OG-N 3.24Å; S99-L102 PolarHBondContact O-N 3.15Å; S99-L102 PolarHBondContact OG-N 3.18Å; S99-L103 PolarHBondContact O-N 3.11Å; S99-A131 VanDerWaalsContact CB-CB 3.46Å; S99-A131 WeakPolarHBondContact OG-CB 3.42Å
100I98.1Very high96.4Very high0 Ų023.6 Ų23.60%012%0.123CC..Hα-helixtrans-62.3-39.7171-71.3174.9000110.3G98 L102 L103 I104 L122 A125 T126 I134 V169G98-I100 PolarHBondContact O-N 2.96Å; I100-L102 VanDerWaalsContact C-N 3.28Å; I100-L102 PolarHBondContact O-N 2.81Å; I100-L103 WeakPolarHBondContact O-CB 3.21Å; I100-L103 PolarHBondContact O-N 3.31Å; I100-L103 VanDerWaalsContact O-N 3.09Å; I100-I104 HydrophobicContact CG2-CD1 4.03Å; I100-I104 HydrophobicContact CG2-CG1 4.49Å; I100-I104 WeakPolarHBondContact O-CG1 3.41Å; I100-I104 PolarHBondContact O-N 3.05Å; I100-L122 HydrophobicContact CG1-CB 4.27Å; I100-L122 HydrophobicContact CG2-CB 3.83Å; I100-L122 HydrophobicContact CG2-CD1 3.84Å; I100-L122 HydrophobicContact CG2-CG 4.49Å; I100-A125 PolarHBondContact N-O 2.97Å; I100-T126 HydrophobicContact CD1-CG2 4.07Å; I100-I134 HydrophobicContact CG2-CD1 4.3Å; I100-V169 HydrophobicContact CD1-CB 4.31Å; I100-V169 HydrophobicContact CD1-CG2 3.85Å; I100-V169 HydrophobicContact CG2-CB 3.89Å; I100-V169 HydrophobicContact CG2-CG1 4.4Å; I100-V169 HydrophobicContact CG2-CG2 3.97Å
101S97.9Very high96.4Very high0 Ų021.6 Ų21.60%012%0.115CC..Hα-helixtrans-59.6-39178.9-52.50000112.1S99 I104 Q105 P132S99-S101 VanDerWaalsContact C-N 3.29Å; S99-S101 PolarHBondContact OG-N 3.24Å; S101-I104 WeakPolarHBondContact O-CB 3.34Å; S101-I104 PolarHBondContact O-N 3.04Å; S101-Q105 WeakPolarHBondContact O-CG 3.42Å; S101-Q105 PolarHBondContact O-N 3.39Å; S101-P132 WeakPolarHBondContact CB-O 3.15Å; S101-P132 PolarHBondContact OG-O 3.33Å
102L96.5Very high96.4Very high18 Ų1817.2 Ų17.29%0.0949%0.089CC..Hα-helixtrans-70.9-31.4176.3-64.2-178.7000112.8S99 I100 I104 Q105 I106 A131S99-L102 PolarHBondContact O-N 3.15Å; S99-L102 PolarHBondContact OG-N 3.18Å; I100-L102 VanDerWaalsContact C-N 3.28Å; I100-L102 PolarHBondContact O-N 2.81Å; L102-I104 VanDerWaalsContact C-N 3.32Å; L102-Q105 VanDerWaalsContact CD2-OE1 3.25Å; L102-Q105 PolarHBondContact O-N 3.29Å; L102-I106 PolarHBondContact O-N 2.87Å; L102-I106 VanDerWaalsContact O-N 3.15Å; L102-A131 HydrophobicContact CD1-CB 3.81Å; L102-A131 HydrophobicContact CD2-CB 4.41Å; L102-A131 HydrophobicContact CG-CB 3.89Å
103L97.8Very high96.4Very high4 Ų416.9 Ų16.92%0.0219%0.086CC..Hα-helixtrans-67.4-34.8170.9-67.8-179.8000111.8A55 V92 T94 S99 I100 I106 A107 L122A55-L103 HydrophobicContact CB-CD2 4.22Å; V92-L103 HydrophobicContact CG1-CD1 3.87Å; T94-L103 HydrophobicContact CG2-CD1 3.64Å; T94-L103 HydrophobicContact CG2-CG 4.41Å; S99-L103 PolarHBondContact O-N 3.11Å; I100-L103 WeakPolarHBondContact O-CB 3.21Å; I100-L103 PolarHBondContact O-N 3.31Å; I100-L103 VanDerWaalsContact O-N 3.09Å; L103-I106 WeakPolarHBondContact O-CG2 3.17Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 3.44Å; L103-L122 HydrophobicContact CB-CD1 4.45Å; L103-L122 HydrophobicContact CB-CD2 3.99Å; L103-L122 HydrophobicContact CD1-CD2 3.99Å
104I98.2Very high96.4Very high0 Ų014.4 Ų14.40%07%0.073CC..Hα-helixtrans-66.5-46.3172.7-63.9166.5000109.6I100 S101 L102 I106 A107 L108 L122 I134 L137 L154 L171I100-I104 HydrophobicContact CG2-CD1 4.03Å; I100-I104 HydrophobicContact CG2-CG1 4.49Å; I100-I104 WeakPolarHBondContact O-CG1 3.41Å; I100-I104 PolarHBondContact O-N 3.05Å; S101-I104 WeakPolarHBondContact O-CB 3.34Å; S101-I104 PolarHBondContact O-N 3.04Å; L102-I104 VanDerWaalsContact C-N 3.32Å; I104-I106 VanDerWaalsContact C-N 3.31Å; I104-I106 PolarHBondContact O-N 2.81Å; I104-A107 PolarHBondContact O-N 2.97Å; I104-L108 HydrophobicContact CG2-CB 4.21Å; I104-L108 HydrophobicContact CG2-CD2 4.36Å; I104-L108 WeakPolarHBondContact O-CB 3.47Å; I104-L108 PolarHBondContact O-N 3.19Å; I104-L122 HydrophobicContact CD1-CD1 4.02Å; I104-L122 HydrophobicContact CG1-CD1 3.35Å; I104-I134 HydrophobicContact CD1-CD1 4.02Å; I104-L137 HydrophobicContact CB-CD1 4Å; I104-L137 HydrophobicContact CD1-CD1 4.03Å; I104-L137 HydrophobicContact CD1-CD2 4.28Å; I104-L137 HydrophobicContact CG2-CD1 3.99Å; I104-L137 HydrophobicContact CG2-CD2 4.34Å; I104-L154 HydrophobicContact CD1-CD1 4.02Å; I104-L154 HydrophobicContact CD1-CD2 3.68Å; I104-L171 HydrophobicContact CG1-CD2 4.35Å; I104-L171 HydrophobicContact CG2-CD2 4.21Å
105Q96.7Very high96.5Very high23 Ų2320.3 Ų20.311%0.10710%0.098CC..Hα-helixtrans-62.3-33.7-178.1-77.5178.5-8.900114.1S101 L102 P109 Q298S101-Q105 WeakPolarHBondContact O-CG 3.42Å; S101-Q105 PolarHBondContact O-N 3.39Å; L102-Q105 VanDerWaalsContact CD2-OE1 3.25Å; L102-Q105 PolarHBondContact O-N 3.29Å; Q105-P109 WeakPolarHBondContact O-CD 3.46Å; Q105-Q298 VanDerWaalsContact NE2-CG 3.31Å
106I96.8Very high96.7Very high5 Ų514.6 Ų14.63%0.0268%0.079CC..Hα-helixtrans-74.6-38.8175.9-168.6175.1000112.2R22 L25 M60 L102 L103 I104R22-I106 HydrophobicContact CB-CB 4.27Å; R22-I106 HydrophobicContact CB-CG1 4.25Å; R22-I106 HydrophobicContact CG-CB 4Å; R22-I106 HydrophobicContact CG-CD1 4.31Å; R22-I106 HydrophobicContact CG-CG1 4.27Å; L25-I106 HydrophobicContact CB-CD1 4.21Å; L25-I106 HydrophobicContact CD1-CD1 3.78Å; M60-I106 HydrophobicContact CG-CD1 3.67Å; M60-I106 HydrophobicContact CG-CG1 3.83Å; M60-I106 HydrophobicContact SD-CD1 4.37Å; M60-I106 HydrophobicContact SD-CG1 3.87Å; L102-I106 PolarHBondContact O-N 2.87Å; L102-I106 VanDerWaalsContact O-N 3.15Å; L103-I106 WeakPolarHBondContact O-CG2 3.17Å; I104-I106 VanDerWaalsContact C-N 3.31Å; I104-I106 PolarHBondContact O-N 2.81Å
107A98.2Very high97Very high0 Ų015.8 Ų15.80%09%0.087CC..Hα-helixtrans-88-37.9-17200000113.4L59 M60 L103 I104 C110 L111 L120L59-A107 HydrophobicContact CD2-CB 3.6Å; L59-A107 HydrophobicContact CG-CB 4.39Å; M60-A107 HydrophobicContact SD-CB 4.48Å; L103-A107 WeakPolarHBondContact O-CB 3.4Å; L103-A107 PolarHBondContact O-N 3.44Å; I104-A107 PolarHBondContact O-N 2.97Å; A107-C110 WeakPolarHBondContact O-CB 3.38Å; A107-C110 PolarHBondContact O-N 3.46Å; A107-L111 HydrophobicContact CB-CD1 4.15Å; A107-L111 HydrophobicContact CB-CG 4.37Å; A107-L111 WeakPolarHBondContact O-CG 3.4Å; A107-L111 PolarHBondContact O-N 3.42Å; A107-L120 HydrophobicContact CB-CD2 4.37Å
108L98.5Very high97.4Very high0 Ų015.2 Ų15.20%08%0.083CC..Hα-helixtrans-56.3-44.5-171.3-177.766.6000113.2I104 C110 L111 I112 F141 I145 F152 V173 F302I104-L108 HydrophobicContact CG2-CB 4.21Å; I104-L108 HydrophobicContact CG2-CD2 4.36Å; I104-L108 WeakPolarHBondContact O-CB 3.47Å; I104-L108 PolarHBondContact O-N 3.19Å; L108-C110 PolarHBondContact O-N 3.28Å; L108-C110 VanDerWaalsContact O-N 3.16Å; L108-L111 PolarHBondContact O-N 3.46Å; L108-L111 VanDerWaalsContact O-N 3.14Å; L108-I112 HydrophobicContact CD1-CG2 3.84Å; L108-I112 HydrophobicContact CG-CG2 4.25Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 WeakPolarHBondContact O-CG2 3.4Å; L108-I112 PolarHBondContact O-N 2.82Å; L108-I112 VanDerWaalsContact O-N 3.1Å; L108-F141 HydrophobicContact CD2-CE1 3.59Å; L108-F141 HydrophobicContact CD2-CZ 3.96Å; L108-I145 HydrophobicContact CD2-CD1 3.56Å; L108-F152 HydrophobicContact CD1-CB 4.45Å; L108-F152 HydrophobicContact CD1-CG 4.45Å; L108-F152 HydrophobicContact CD2-CD1 4.27Å; L108-F152 HydrophobicContact CD2-CE1 4.27Å; L108-V173 HydrophobicContact CD1-CG1 4.1Å; L108-V173 HydrophobicContact CD1-CG2 3.72Å; L108-F302 HydrophobicContact CD2-CZ 4.5Å
109P98Very high97.6Very high1 Ų117.3 Ų17.31%0.00610%0.095CC..Hα-helixtrans-57.1-30.2176.8-25.435.8000113.4A26 Q105 I112 F113 I301 F302A26-P109 HydrophobicContact CB-CB 4.48Å; Q105-P109 WeakPolarHBondContact O-CD 3.46Å; P109-I112 VanDerWaalsContact O-CG1 3.23Å; P109-I112 WeakPolarHBondContact O-CG1 3.27Å; P109-F113 WeakPolarHBondContact O-CD2 3.23Å; P109-I301 HydrophobicContact CB-CD1 3.76Å; P109-I301 HydrophobicContact CB-CG1 4.28Å; P109-I301 HydrophobicContact CB-CG2 4.34Å; P109-I301 HydrophobicContact CG-CD1 3.98Å; P109-I301 HydrophobicContact CG-CG2 3.88Å; P109-F302 HydrophobicContact CG-CZ 4.14Å
110C98.3Very high97.7Very high0 Ų017.3 Ų17.30%010%0.095CC..Hα-helixtrans-81.9-46.7173.7-57.60000111.6A26 V29 M60 I63 L85 A107 L108 I112 F113 A114A26-C110 PolarHBondContact O-SG 2.86Å; V29-C110 HydrophobicContact CG1-CB 4.11Å; M60-C110 HydrophobicContact CE-CB 4.2Å; M60-C110 WeakPolarHBondContact CE-SG 3.2Å; I63-C110 HydrophobicContact CD1-CB 4.05Å; L85-C110 HydrophobicContact CD1-CB 4.01Å; L85-C110 HydrophobicContact CD2-CB 4.27Å; L85-C110 VanDerWaalsContact CD2-O 3.31Å; L85-C110 WeakPolarHBondContact CD2-O 3.44Å; A107-C110 WeakPolarHBondContact O-CB 3.38Å; A107-C110 PolarHBondContact O-N 3.46Å; L108-C110 PolarHBondContact O-N 3.28Å; L108-C110 VanDerWaalsContact O-N 3.16Å; C110-I112 PolarHBondContact O-N 2.89Å; C110-I112 VanDerWaalsContact O-N 3.16Å; C110-F113 CarbonylContact O-C 3.45Å; C110-F113 WeakPolarHBondContact O-CA 3.43Å; C110-F113 PolarHBondContact O-N 3.07Å; C110-A114 PolarHBondContact O-N 3.37Å
111L98.4Very high97.7Very high0 Ų019.1 Ų19.10%011%0.106CC..Hα-helixtrans-61.8-28.6-174.3-65.5-177.2000113.7I63 A107 L108 F113 A114 T118 L120 L171 V173I63-L111 HydrophobicContact CB-CD2 4.46Å; I63-L111 HydrophobicContact CD1-CD2 4.13Å; I63-L111 HydrophobicContact CG2-CD2 4.18Å; A107-L111 HydrophobicContact CB-CD1 4.15Å; A107-L111 HydrophobicContact CB-CG 4.37Å; A107-L111 WeakPolarHBondContact O-CG 3.4Å; A107-L111 PolarHBondContact O-N 3.42Å; L108-L111 PolarHBondContact O-N 3.46Å; L108-L111 VanDerWaalsContact O-N 3.14Å; L111-F113 PolarHBondContact O-N 3.04Å; L111-A114 WeakPolarHBondContact O-CB 3.22Å; L111-A114 PolarHBondContact O-N 3.45Å; L111-T118 HydrophobicContact CD1-CG2 3.86Å; L111-T118 HydrophobicContact CD2-CG2 3.83Å; L111-T118 HydrophobicContact CG-CG2 4.42Å; L111-L120 HydrophobicContact CD1-CD2 4.16Å; L111-L171 HydrophobicContact CD1-CD2 4.24Å; L111-V173 HydrophobicContact CB-CB 4.19Å; L111-V173 HydrophobicContact CB-CG1 4.11Å; L111-V173 HydrophobicContact CB-CG2 4.17Å; L111-V173 HydrophobicContact CD1-CG2 4.25Å
112I98.2Very high97.7Very high1 Ų119.1 Ų19.11%0.00511%0.106CC..THydrogen-bonded Turntrans-67.2-17.4173.861.7167.6000112.9L108 P109 C110 V150 V173 P175 I176 L179 F302L108-I112 HydrophobicContact CD1-CG2 3.84Å; L108-I112 HydrophobicContact CG-CG2 4.25Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 WeakPolarHBondContact O-CG2 3.4Å; L108-I112 PolarHBondContact O-N 2.82Å; L108-I112 VanDerWaalsContact O-N 3.1Å; P109-I112 VanDerWaalsContact O-CG1 3.23Å; P109-I112 WeakPolarHBondContact O-CG1 3.27Å; C110-I112 PolarHBondContact O-N 2.89Å; C110-I112 VanDerWaalsContact O-N 3.16Å; I112-V150 HydrophobicContact CD1-CG2 3.95Å; I112-V150 HydrophobicContact CG2-CG1 3.53Å; I112-V150 HydrophobicContact CG2-CG2 4.35Å; I112-V173 HydrophobicContact CG2-CG1 3.79Å; I112-P175 CarbonylContact O-C 3.43Å; I112-P175 WeakPolarHBondContact O-CA 3.4Å; I112-I176 HydrophobicContact CB-CD1 4.48Å; I112-I176 HydrophobicContact CB-CG1 4.31Å; I112-I176 HydrophobicContact CD1-CD1 4.34Å; I112-I176 PolarHBondContact O-N 3.19Å; I112-L179 HydrophobicContact CD1-CD1 4.15Å; I112-L179 HydrophobicContact CD1-CD2 3.9Å; I112-L179 HydrophobicContact CD1-CG 4.26Å; I112-F302 HydrophobicContact CD1-CD1 4.38Å; I112-F302 HydrophobicContact CD1-CE1 4.09Å
113F97.7Very high97.8Very high6 Ų621.9 Ų21.93%0.02612%0.117CC..THydrogen-bonded Turntrans-112.19.5175.8-66.3-68.8000112.9L30 L85 P109 C110 L111 I176 L179 L305 Y355 R357L30-F113 HydrophobicContact CD2-CB 4.04Å; L30-F113 HydrophobicContact CD2-CD2 3.76Å; L30-F113 HydrophobicContact CD2-CG 4.28Å; L85-F113 HydrophobicContact CD2-CB 4.44Å; P109-F113 WeakPolarHBondContact O-CD2 3.23Å; C110-F113 CarbonylContact O-C 3.45Å; C110-F113 WeakPolarHBondContact O-CA 3.43Å; C110-F113 PolarHBondContact O-N 3.07Å; L111-F113 PolarHBondContact O-N 3.04Å; F113-I176 HydrophobicContact CE1-CG1 4.43Å; F113-L179 HydrophobicContact CE2-CD1 3.97Å; F113-L179 HydrophobicContact CE2-CG 4.32Å; F113-L179 HydrophobicContact CZ-CD1 3.87Å; F113-L179 HydrophobicContact CZ-CG 3.82Å; F113-L305 HydrophobicContact CE2-CD1 4.26Å; F113-Y355 HydrophobicContact CB-CE1 3.97Å; F113-Y355 AromaticContact CD1-CD1 3.97Å; F113-Y355 HydrophobicContact CD1-CD1 3.97Å; F113-Y355 AromaticContact CD1-CE1 3.97Å; F113-Y355 HydrophobicContact CD1-CE1 3.97Å; F113-Y355 AromaticContact CD2-CD1 3.89Å; F113-Y355 HydrophobicContact CD2-CD1 3.89Å; F113-Y355 AromaticContact CD2-CE1 3.91Å; F113-Y355 HydrophobicContact CD2-CE1 3.91Å; F113-Y355 AromaticContact CE1-CD1 3.93Å; F113-Y355 HydrophobicContact CE1-CD1 3.93Å; F113-Y355 HydrophobicContact CE1-CE1 4.4Å; F113-Y355 AromaticContact CE2-CD1 3.87Å; F113-Y355 HydrophobicContact CE2-CD1 3.87Å; F113-Y355 HydrophobicContact CE2-CE1 4.37Å; F113-Y355 AromaticContact CG-CD1 3.94Å; F113-Y355 HydrophobicContact CG-CD1 3.94Å; F113-Y355 AromaticContact CG-CE1 3.69Å; F113-Y355 HydrophobicContact CG-CE1 3.69Å; F113-Y355 AromaticContact CZ-CD1 3.87Å; F113-Y355 HydrophobicContact CZ-CD1 3.87Å; F113-R357 HydrophobicContact CD1-CB 4.06Å
114A97.1Very high97.8Very high0 Ų021.7 Ų21.70%012%0.117CC..SBendtrans-67.8158-17800000112.9L85 C110 L111 S116 P175 R357L85-A114 HydrophobicContact CD1-CB 4.44Å; L85-A114 HydrophobicContact CD2-CB 4.39Å; L85-A114 HydrophobicContact CG-CB 4.13Å; C110-A114 PolarHBondContact O-N 3.37Å; L111-A114 WeakPolarHBondContact O-CB 3.22Å; L111-A114 PolarHBondContact O-N 3.45Å; A114-S116 PolarHBondContact O-N 3.26Å; A114-S116 VanDerWaalsContact O-N 3.16Å; A114-P175 VanDerWaalsContact O-CB 3.26Å; A114-P175 WeakPolarHBondContact O-CB 3.41Å; A114-P175 WeakPolarHBondContact O-CG 3.12Å; A114-R357 PolarHBondContact O-NE 2.91Å; A114-R357 PolarHBondContact O-NH2 3.02Å
115K94.4Very high97.8Very high129 Ų12921.7 Ų21.756%0.56112%0.117SC*.SBendtrans-64.3-17.9-179.8-71178.4-173.6178.20115E84 L85 R357E84-K115 WeakPolarHBondContact OE2-CE 3.38Å; E84-K115 IonicContact OE2-NZ 2.72Å; E84-K115 PolarHBondContact OE2-NZ 3.38Å; L85-K115 WeakPolarHBondContact O-CG 3.22Å; K115-R357 PolarHBondContact O-NH2 3.47Å
116S96.2Very high97.8Very high45 Ų4520.6 Ų20.632%0.31511%0.112SC..SBendtrans-151164-179.2540000111G87 A114 P175G87-S116 WeakPolarHBondContact CA-O 3.45Å; G87-S116 VanDerWaalsContact CA-OG 3.25Å; G87-S116 WeakPolarHBondContact CA-OG 3.29Å; G87-S116 PolarHBondContact N-OG 3.2Å; A114-S116 PolarHBondContact O-N 3.26Å; A114-S116 VanDerWaalsContact O-N 3.16Å; S116-P175 VanDerWaalsContact O-CG 3.28Å; S116-P175 WeakPolarHBondContact O-CG 3.41Å
117P98.3Very high97.8Very high83 Ų8320.4 Ų20.454%0.53911%0.11SC..  trans-52.7146.8169.4-26.536.2000112.9G88 V173G88-P117 PolarHBondContact N-O 2.87Å; P117-V173 WeakPolarHBondContact CA-O 3.44Å
118T98.7Very high97.6Very high2 Ų220.6 Ų20.61%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-122.7133.1-178.1-57.10000111.1G87 G88 Y90 L111 L120 Q172 V173G87-T118 WeakPolarHBondContact CA-OG1 3.35Å; G88-T118 CarbonylContact O-C 3.58Å; G88-T118 VanDerWaalsContact O-CA 3.27Å; G88-T118 WeakPolarHBondContact O-CA 3.29Å; G88-T118 WeakPolarHBondContact O-CG2 3.41Å; Y90-T118 HydrophobicContact CD2-CG2 3.91Å; Y90-T118 HydrophobicContact CE2-CG2 4.25Å; L111-T118 HydrophobicContact CD1-CG2 3.86Å; L111-T118 HydrophobicContact CD2-CG2 3.83Å; L111-T118 HydrophobicContact CG-CG2 4.42Å; T118-L120 HydrophobicContact CG2-CB 4.37Å; T118-Q172 WeakPolarHBondContact O-CA 3.45Å; T118-V173 PolarHBondContact N-O 2.76Å; T118-V173 PolarHBondContact O-N 2.73Å
119T98.8Very high97.1Very high46 Ų4623 Ų2328%0.28213%0.125SC..EExtended strand (participates in β ladder)trans-112.4116.1163.8-63.40000108.8G88 E89 Y90 V170 L171 Q172G88-T119 PolarHBondContact O-N 3.42Å; E89-T119 WeakPolarHBondContact CA-O 3.36Å; Y90-T119 PolarHBondContact N-O 3.25Å; T119-V170 HydrophobicContact CG2-CG1 3.67Å; T119-L171 CarbonylContact C-O 3.6Å; T119-L171 WeakPolarHBondContact CA-O 3.48Å; T119-Q172 HydrophobicContact CG2-CG 4.37Å
120L98.5Very high96.6Very high1 Ų131.9 Ų31.91%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-117.3115.9-175.917663.7000110L59 Y90 V92 A107 L111 T118 L122 V170 L171L59-L120 HydrophobicContact CD1-CD1 3.76Å; L59-L120 HydrophobicContact CD1-CD2 4.44Å; L59-L120 HydrophobicContact CD2-CD1 4.35Å; L59-L120 HydrophobicContact CD2-CD2 3.89Å; Y90-L120 WeakPolarHBondContact O-CA 3.22Å; V92-L120 HydrophobicContact CG2-CD1 3.93Å; A107-L120 HydrophobicContact CB-CD2 4.37Å; L111-L120 HydrophobicContact CD1-CD2 4.16Å; T118-L120 HydrophobicContact CG2-CB 4.37Å; L120-L122 HydrophobicContact CD1-CD2 3.94Å; L120-L122 HydrophobicContact CD2-CD1 4.19Å; L120-L122 HydrophobicContact CD2-CD2 3.67Å; L120-L122 HydrophobicContact CD2-CG 4.08Å; L120-L122 HydrophobicContact CG-CD1 4.4Å; L120-L122 HydrophobicContact CG-CD2 3.61Å; L120-L122 HydrophobicContact CG-CG 3.83Å; L120-V170 WeakPolarHBondContact O-CA 3.43Å; L120-L171 HydrophobicContact CB-CB 4.3Å; L120-L171 HydrophobicContact CD2-CD2 4.21Å; L120-L171 PolarHBondContact N-O 3.13Å; L120-L171 PolarHBondContact O-N 3.13Å
121V98.7Very high96.4Very high37 Ų3732.5 Ų32.522%0.22417%0.169CC..EExtended strand (participates in β ladder)trans-91.5112.9174.8-176.50000109.2Y90 T91 V92 V168 V170Y90-V121 PolarHBondContact O-N 3.25Å; T91-V121 CarbonylContact C-O 3.59Å; T91-V121 WeakPolarHBondContact CA-O 3.31Å; T91-V121 HydrophobicContact CG2-CB 4.34Å; T91-V121 HydrophobicContact CG2-CG1 4.48Å; V92-V121 PolarHBondContact N-O 3.01Å; V121-V168 HydrophobicContact CG1-CG1 4.05Å; V121-V170 HydrophobicContact CG2-CG2 4.37Å
122L98.6Very high96.2Very high0 Ų033.2 Ų33.20%017%0.174CC..EExtended strand (participates in β ladder)trans-106.8127.2-176.4-62.3172000110.7V92 I100 L103 I104 L120 V168 V169V92-L122 HydrophobicContact CB-CD2 4.02Å; V92-L122 HydrophobicContact CG2-CD2 4.47Å; I100-L122 HydrophobicContact CG1-CB 4.27Å; I100-L122 HydrophobicContact CG2-CB 3.83Å; I100-L122 HydrophobicContact CG2-CD1 3.84Å; I100-L122 HydrophobicContact CG2-CG 4.49Å; L103-L122 HydrophobicContact CB-CD1 4.45Å; L103-L122 HydrophobicContact CB-CD2 3.99Å; L103-L122 HydrophobicContact CD1-CD2 3.99Å; I104-L122 HydrophobicContact CD1-CD1 4.02Å; I104-L122 HydrophobicContact CG1-CD1 3.35Å; L120-L122 HydrophobicContact CD1-CD2 3.94Å; L120-L122 HydrophobicContact CD2-CD1 4.19Å; L120-L122 HydrophobicContact CD2-CD2 3.67Å; L120-L122 HydrophobicContact CD2-CG 4.08Å; L120-L122 HydrophobicContact CG-CD1 4.4Å; L120-L122 HydrophobicContact CG-CD2 3.61Å; L120-L122 HydrophobicContact CG-CG 3.83Å; L122-V168 WeakPolarHBondContact O-CA 3.44Å; L122-V169 PolarHBondContact N-O 2.96Å; L122-V169 PolarHBondContact O-N 3.13Å
123K98.3Very high96.2Very high76 Ų7633.3 Ų33.333%0.3317%0.174SC..EExtended strand (participates in β ladder)trans-118.7127.4177.1-51.8179.7-176.1173.20111.7V92 D93 T94 G167 V168V92-K123 PolarHBondContact O-N 2.9Å; D93-K123 HydrophobicContact CB-CB 4.01Å; D93-K123 HydrophobicContact CB-CD 4.19Å; T94-K123 PolarHBondContact N-O 3.14Å; T94-K123 PolarHBondContact OG1-O 3.36Å; T94-K123 VanDerWaalsContact OG1-O 3.11Å; K123-G167 VanDerWaalsContact CA-O 3.27Å; K123-G167 WeakPolarHBondContact CA-O 3.31Å; K123-V168 HydrophobicContact CG-CG2 4.36Å
124G97.4Very high96.2Very high1 Ų133 Ų331%0.0117%0.173CC..EExtended strand (participates in β ladder)trans166.5-147.1-173.900000112.1T94 G98 G165 G166 G167T94-G124 VanDerWaalsContact OG1-CA 3.29Å; T94-G124 WeakPolarHBondContact OG1-CA 3.36Å; G98-G124 WeakPolarHBondContact O-CA 3.43Å; G124-G165 CarbonylContact O-C 3.58Å; G124-G166 PolarHBondContact O-N 3.48Å; G124-G166 VanDerWaalsContact O-N 3.12Å; G124-G167 PolarHBondContact N-O 3.23Å; G124-G167 VanDerWaalsContact N-O 3.15Å; G124-G167 WeakPolarHBondContact O-CA 3.43Å; G124-G167 PolarHBondContact O-N 3.19Å
125A97.7Very high96.2Very high0 Ų033.4 Ų33.40%018%0.175CC..BIsolated β-bridgetrans-93.5126.4172.800000110.7A97 G98 I100 A128 G160A97-A125 HydrophobicContact CB-CB 4.04Å; A97-A125 WeakPolarHBondContact O-CB 3.44Å; G98-A125 PolarHBondContact O-N 2.97Å; I100-A125 PolarHBondContact N-O 2.97Å; A125-A128 HydrophobicContact CB-CB 3.84Å; A125-G160 CarbonylContact C-O 3.6Å; A125-G160 VanDerWaalsContact CA-O 3.25Å; A125-G160 WeakPolarHBondContact CA-O 3.45Å
126T98Very high96.4Very high0 Ų027.3 Ų27.30%015%0.148CC..SBendtrans-72.7-24.9164.953.70000111.2I100 I134 G160 V169I100-T126 HydrophobicContact CD1-CG2 4.07Å; T126-I134 HydrophobicContact CG2-CG2 4.28Å; T126-I134 WeakPolarHBondContact O-CB 3.47Å; T126-I134 PolarHBondContact O-N 3.26Å; T126-G160 PolarHBondContact N-O 3.32Å; T126-G160 PolarHBondContact OG1-N 2.81Å; T126-G160 PolarHBondContact OG1-O 3.06Å; T126-V169 HydrophobicContact CG2-CG2 3.76Å
127N97.1Very high96.5Very high0 Ų025.2 Ų25.20%013%0.134CC..BIsolated β-bridgetrans-135.1102.5-179.5-62.789.4000108.8Q133 G160 Y161 F162 W198 I263N127-Q133 PolarHBondContact ND2-OE1 2.86Å; N127-G160 PolarHBondContact N-O 2.9Å; N127-Y161 HydrophobicContact CB-CD1 3.64Å; N127-Y161 HydrophobicContact CB-CE1 3.85Å; N127-Y161 WeakPolarHBondContact OD1-CE1 3.37Å; N127-F162 PolarHBondContact O-N 2.89Å; N127-F162 VanDerWaalsContact O-N 3.13Å; N127-W198 WeakPolarHBondContact ND2-CZ2 3.23Å; N127-I263 HydrophobicContact CB-CD1 4.16Å
128A93.8Very high96.4Very high4 Ų424 Ų243%0.03312%0.122CC..  trans-122.7153.2-177.100000110.8A125 A131 Q133 I263A125-A128 HydrophobicContact CB-CB 3.84Å; A128-A131 HydrophobicContact CB-CB 4.35Å; A128-Q133 PolarHBondContact O-NE2 3.08Å; A128-I263 VanDerWaalsContact C-CD1 3.43Å; A128-I263 WeakPolarHBondContact O-CD1 3.47Å
129D87.7Confident96.3Very high51 Ų5126 Ų2627%0.27313%0.134SC..THydrogen-bonded Turntrans-68.8148.2172.9-155.22.9000110A131 K265D129-A131 PolarHBondContact O-N 2.89Å; D129-K265 WeakPolarHBondContact OD2-CE 3.48Å; D129-K265 IonicContact OD2-NZ 2.82Å; D129-K265 PolarHBondContact OD2-NZ 3.3Å
130F87.7Confident96.3Very high187 Ų18723.9 Ų23.982%0.8212%0.121SC*.THydrogen-bonded Turntrans54.430.3-179.1-48.2-75000115.3
131A93.3Very high96.3Very high13 Ų1323.9 Ų23.911%0.10712%0.121CC..SBendtrans-147.9155.1176.500000111S99 L102 A128 D129 Q133S99-A131 VanDerWaalsContact CB-CB 3.46Å; S99-A131 WeakPolarHBondContact OG-CB 3.42Å; L102-A131 HydrophobicContact CD1-CB 3.81Å; L102-A131 HydrophobicContact CD2-CB 4.41Å; L102-A131 HydrophobicContact CG-CB 3.89Å; A128-A131 HydrophobicContact CB-CB 4.35Å; D129-A131 PolarHBondContact O-N 2.89Å; A131-Q133 PolarHBondContact O-N 2.94Å; A131-Q133 PolarHBondContact O-NE2 3.05Å; A131-Q133 VanDerWaalsContact O-NE2 3.17Å
132P94.9Very high96.2Very high16 Ų1625.4 Ų25.410%0.10413%0.125CC..  trans-60135.7174.6-23.133.9000111.5S101 Y136S101-P132 WeakPolarHBondContact CB-O 3.15Å; S101-P132 PolarHBondContact OG-O 3.33Å; P132-Y136 HydrophobicContact CB-CD1 4.07Å
133Q96.9Very high96.2Very high3 Ų328.8 Ų28.81%0.01414%0.141CC..  trans-67.4149.6170.9-47.4-50.7-48.300109.8N127 A128 A131 D135 Y136 L137 W198 D261N127-Q133 PolarHBondContact ND2-OE1 2.86Å; A128-Q133 PolarHBondContact O-NE2 3.08Å; A131-Q133 PolarHBondContact O-N 2.94Å; A131-Q133 PolarHBondContact O-NE2 3.05Å; A131-Q133 VanDerWaalsContact O-NE2 3.17Å; Q133-D135 PolarHBondContact O-N 3.21Å; Q133-Y136 WeakPolarHBondContact O-CB 3.38Å; Q133-Y136 PolarHBondContact O-N 2.97Å; Q133-L137 PolarHBondContact O-N 3.22Å; Q133-L137 VanDerWaalsContact O-N 3.12Å; Q133-W198 HydrophobicContact CG-CH2 4.21Å; Q133-D261 HydrophobicContact CG-CB 3.81Å; Q133-D261 WeakPolarHBondContact CG-OD1 3.38Å; Q133-D261 PolarHBondContact NE2-OD1 3.03Å
134I97.8Very high96.2Very high0 Ų025.4 Ų25.40%013%0.126CC..Hα-helixtrans-59.2-35.5-179.1-163.662000112.1I100 I104 T126 Y136 L137 I138 L154 I156 V169I100-I134 HydrophobicContact CG2-CD1 4.3Å; I104-I134 HydrophobicContact CD1-CD1 4.02Å; T126-I134 HydrophobicContact CG2-CG2 4.28Å; T126-I134 WeakPolarHBondContact O-CB 3.47Å; T126-I134 PolarHBondContact O-N 3.26Å; I134-Y136 VanDerWaalsContact C-N 3.31Å; I134-Y136 PolarHBondContact O-N 2.89Å; I134-L137 PolarHBondContact O-N 3.04Å; I134-L137 VanDerWaalsContact O-N 3.13Å; I134-I138 HydrophobicContact CG1-CG2 4.38Å; I134-I138 WeakPolarHBondContact O-CG2 3.39Å; I134-I138 PolarHBondContact O-N 2.94Å; I134-L154 HydrophobicContact CD1-CD1 4.4Å; I134-I156 HydrophobicContact CG1-CD1 4.08Å; I134-I156 HydrophobicContact CG1-CG1 4.17Å; I134-I156 HydrophobicContact CG2-CD1 3.67Å; I134-I156 HydrophobicContact CG2-CG1 4.45Å; I134-V169 HydrophobicContact CD1-CG1 4.41Å; I134-V169 HydrophobicContact CD1-CG2 4.43Å; I134-V169 HydrophobicContact CG1-CG2 4.34Å
135D97.8Very high96.2Very high8 Ų825.3 Ų25.34%0.04313%0.125CC..Hα-helixtrans-67.7-31.4178.5-57.9-82.7000112.3Q133 T139 R159 V247 F249Q133-D135 PolarHBondContact O-N 3.21Å; D135-T139 VanDerWaalsContact O-CB 3.25Å; D135-T139 WeakPolarHBondContact O-CB 3.39Å; D135-T139 PolarHBondContact O-N 3.15Å; D135-T139 PolarHBondContact O-OG1 3.26Å; D135-R159 IonicContact OD1-CZ 3.74Å; D135-R159 IonicContact OD1-NH1 3.87Å; D135-R159 IonicContact OD1-NH2 2.73Å; D135-R159 PolarHBondContact OD1-NH2 3.42Å; D135-R159 IonicContact OD2-CZ 2.73Å; D135-R159 IonicContact OD2-NH1 3.84Å; D135-R159 PolarHBondContact OD2-NH1 3.23Å; D135-R159 IonicContact OD2-NH2 2.83Å; D135-R159 PolarHBondContact OD2-NH2 2.88Å; D135-V247 HydrophobicContact CB-CG1 4.13Å; D135-F249 HydrophobicContact CB-CZ 4.48Å
136Y98.3Very high96.2Very high1 Ų126.5 Ų26.50%0.00413%0.134CC..Hα-helixtrans-64.3-47169.3178.4-77.5000110.2P132 Q133 I134 I138 T139 V140 F141 D292 L295P132-Y136 HydrophobicContact CB-CD1 4.07Å; Q133-Y136 WeakPolarHBondContact O-CB 3.38Å; Q133-Y136 PolarHBondContact O-N 2.97Å; I134-Y136 VanDerWaalsContact C-N 3.31Å; I134-Y136 PolarHBondContact O-N 2.89Å; Y136-I138 PolarHBondContact O-N 2.81Å; Y136-T139 PolarHBondContact O-N 2.96Å; Y136-V140 HydrophobicContact CD1-CB 4.17Å; Y136-V140 HydrophobicContact CD2-CB 4.15Å; Y136-V140 HydrophobicContact CD2-CG2 3.92Å; Y136-V140 HydrophobicContact CE1-CB 3.94Å; Y136-V140 HydrophobicContact CE1-CG1 3.88Å; Y136-V140 HydrophobicContact CE2-CB 3.95Å; Y136-V140 HydrophobicContact CE2-CG1 3.82Å; Y136-V140 HydrophobicContact CE2-CG2 3.92Å; Y136-V140 HydrophobicContact CG-CB 4.25Å; Y136-V140 HydrophobicContact CG-CG2 4.33Å; Y136-V140 VanDerWaalsContact CZ-CG1 3.45Å; Y136-V140 WeakPolarHBondContact O-CB 3.19Å; Y136-V140 PolarHBondContact O-N 3.09Å; Y136-V140 WeakPolarHBondContact OH-CG1 3.43Å; Y136-F141 PolarHBondContact O-N 2.95Å; Y136-D292 PolarHBondContact OH-OD1 3.44Å; Y136-D292 PolarHBondContact OH-OD2 3.05Å; Y136-L295 WeakPolarHBondContact OH-CB 3.36Å; Y136-L295 PolarHBondContact OH-N 2.84Å
137L97.5Very high96.2Very high1 Ų129.9 Ų29.91%0.00515%0.146CC..Iπ-helixtrans-63-45.2-177.5-169.3156.3000112.1I104 Q133 I134 T139 F141 K142 F152 L154I104-L137 HydrophobicContact CB-CD1 4Å; I104-L137 HydrophobicContact CD1-CD1 4.03Å; I104-L137 HydrophobicContact CD1-CD2 4.28Å; I104-L137 HydrophobicContact CG2-CD1 3.99Å; I104-L137 HydrophobicContact CG2-CD2 4.34Å; Q133-L137 PolarHBondContact O-N 3.22Å; Q133-L137 VanDerWaalsContact O-N 3.12Å; I134-L137 PolarHBondContact O-N 3.04Å; I134-L137 VanDerWaalsContact O-N 3.13Å; L137-T139 PolarHBondContact O-N 3.4Å; L137-F141 HydrophobicContact CD2-CD1 4.1Å; L137-F141 HydrophobicContact CG-CB 4.3Å; L137-F141 HydrophobicContact CG-CD1 3.85Å; L137-F141 HydrophobicContact CG-CG 4.36Å; L137-K142 WeakPolarHBondContact O-CB 3.35Å; L137-K142 PolarHBondContact O-N 3.36Å; L137-F152 HydrophobicContact CD2-CE2 3.86Å; L137-F152 HydrophobicContact CD2-CZ 3.95Å; L137-L154 HydrophobicContact CD2-CD1 3.29Å
138I96.2Very high96.3Very high57 Ų5729.9 Ų29.929%0.29215%0.146SC..Iπ-helixtrans-72.5-14.2-178.373.1-177.4000113.9I134 Y136 K142 L154 I156I134-I138 HydrophobicContact CG1-CG2 4.38Å; I134-I138 WeakPolarHBondContact O-CG2 3.39Å; I134-I138 PolarHBondContact O-N 2.94Å; Y136-I138 PolarHBondContact O-N 2.81Å; I138-K142 WeakPolarHBondContact O-CB 2.87Å; I138-L154 HydrophobicContact CG2-CB 3.94Å; I138-L154 HydrophobicContact CG2-CD1 3.53Å; I138-L154 HydrophobicContact CG2-CG 4.41Å; I138-I156 HydrophobicContact CD1-CD1 4.36Å
139T97.6Very high96.5Very high44 Ų4430.4 Ų30.427%0.2715%0.152SC..Iπ-helixtrans-108.8-62.6-176.1-49.40000110.8D135 Y136 L137 E143 F249 I257D135-T139 VanDerWaalsContact O-CB 3.25Å; D135-T139 WeakPolarHBondContact O-CB 3.39Å; D135-T139 PolarHBondContact O-N 3.15Å; D135-T139 PolarHBondContact O-OG1 3.26Å; Y136-T139 PolarHBondContact O-N 2.96Å; L137-T139 PolarHBondContact O-N 3.4Å; T139-E143 VanDerWaalsContact O-CB 3.27Å; T139-E143 WeakPolarHBondContact O-CB 3.23Å; T139-E143 PolarHBondContact O-N 2.93Å; T139-F249 HydrophobicContact CG2-CD1 4Å; T139-F249 HydrophobicContact CG2-CD2 4.28Å; T139-F249 HydrophobicContact CG2-CE1 4.06Å; T139-F249 HydrophobicContact CG2-CE2 4.33Å; T139-F249 HydrophobicContact CG2-CG 4.1Å; T139-F249 HydrophobicContact CG2-CZ 4.21Å; T139-I257 HydrophobicContact CG2-CD1 4.12Å; T139-I257 HydrophobicContact CG2-CG2 4.41Å
140V98.4Very high97Very high1 Ų128 Ų281%0.00614%0.14CC..Iπ-helixtrans-79.7-59.7-172.1175.20000111Y136 K142 E143 M144 F249 I257 L295Y136-V140 HydrophobicContact CD1-CB 4.17Å; Y136-V140 HydrophobicContact CD2-CB 4.15Å; Y136-V140 HydrophobicContact CD2-CG2 3.92Å; Y136-V140 HydrophobicContact CE1-CB 3.94Å; Y136-V140 HydrophobicContact CE1-CG1 3.88Å; Y136-V140 HydrophobicContact CE2-CB 3.95Å; Y136-V140 HydrophobicContact CE2-CG1 3.82Å; Y136-V140 HydrophobicContact CE2-CG2 3.92Å; Y136-V140 HydrophobicContact CG-CB 4.25Å; Y136-V140 HydrophobicContact CG-CG2 4.33Å; Y136-V140 VanDerWaalsContact CZ-CG1 3.45Å; Y136-V140 WeakPolarHBondContact O-CB 3.19Å; Y136-V140 PolarHBondContact O-N 3.09Å; Y136-V140 WeakPolarHBondContact OH-CG1 3.43Å; V140-K142 PolarHBondContact O-N 3.44Å; V140-E143 PolarHBondContact O-N 3.3Å; V140-M144 PolarHBondContact O-N 3.33Å; V140-M144 VanDerWaalsContact O-N 3.11Å; V140-F249 HydrophobicContact CG2-CD1 3.6Å; V140-F249 HydrophobicContact CG2-CE1 3.87Å; V140-I257 WeakPolarHBondContact CG1-O 3.14Å; V140-I257 HydrophobicContact CG2-CB 4.48Å; V140-I257 HydrophobicContact CG2-CG2 3.86Å; V140-L295 HydrophobicContact CG1-CD2 3.84Å
141F98.2Very high97.4Very high2 Ų226.9 Ų26.91%0.00913%0.131CC..Iπ-helixtrans-62.6-43.9-177.8174.2-99.2000111.4L108 Y136 L137 E143 M144 I145 F152 L295 Q298 F302L108-F141 HydrophobicContact CD2-CE1 3.59Å; L108-F141 HydrophobicContact CD2-CZ 3.96Å; Y136-F141 PolarHBondContact O-N 2.95Å; L137-F141 HydrophobicContact CD2-CD1 4.1Å; L137-F141 HydrophobicContact CG-CB 4.3Å; L137-F141 HydrophobicContact CG-CD1 3.85Å; L137-F141 HydrophobicContact CG-CG 4.36Å; F141-E143 PolarHBondContact O-N 3.41Å; F141-M144 PolarHBondContact O-N 3.03Å; F141-I145 HydrophobicContact CD1-CD1 4.22Å; F141-I145 HydrophobicContact CD1-CG2 4.4Å; F141-I145 HydrophobicContact CD2-CG2 3.96Å; F141-I145 HydrophobicContact CE1-CD1 3.59Å; F141-I145 HydrophobicContact CE1-CG1 4.34Å; F141-I145 HydrophobicContact CE1-CG2 4.06Å; F141-I145 HydrophobicContact CE2-CG2 3.54Å; F141-I145 HydrophobicContact CG-CG2 4.37Å; F141-I145 HydrophobicContact CZ-CD1 3.96Å; F141-I145 HydrophobicContact CZ-CG2 3.6Å; F141-I145 WeakPolarHBondContact O-CG2 3.43Å; F141-I145 PolarHBondContact O-N 3.39Å; F141-F152 HydrophobicContact CD1-CZ 4.11Å; F141-F152 HydrophobicContact CE1-CE1 4.45Å; F141-F152 HydrophobicContact CE1-CZ 4.26Å; F141-L295 HydrophobicContact CB-CD1 4.23Å; F141-L295 HydrophobicContact CD2-CD1 3.92Å; F141-Q298 HydrophobicContact CD2-CB 4.04Å; F141-Q298 HydrophobicContact CE2-CB 3.98Å; F141-F302 AromaticContact CE2-CE2 3.95Å; F141-F302 HydrophobicContact CE2-CE2 3.95Å; F141-F302 HydrophobicContact CE2-CZ 4.47Å; F141-F302 AromaticContact CZ-CE2 3.86Å; F141-F302 HydrophobicContact CZ-CE2 3.86Å; F141-F302 AromaticContact CZ-CZ 3.92Å; F141-F302 HydrophobicContact CZ-CZ 3.92Å
142K97.7Very high97.6Very high69 Ų6926.7 Ų26.730%0.313%0.128SC..Hα-helixtrans-58.4-46.2178-175.6174.5178.6175.20113L137 I138 V140 M144 S146 F152L137-K142 WeakPolarHBondContact O-CB 3.35Å; L137-K142 PolarHBondContact O-N 3.36Å; I138-K142 WeakPolarHBondContact O-CB 2.87Å; V140-K142 PolarHBondContact O-N 3.44Å; K142-M144 VanDerWaalsContact C-N 3.35Å; K142-S146 PolarHBondContact O-N 3.3Å; K142-F152 HydrophobicContact CB-CE1 3.99Å; K142-F152 HydrophobicContact CB-CZ 3.75Å; K142-F152 HydrophobicContact CD-CE1 4.49Å; K142-F152 HydrophobicContact CD-CZ 4.3Å; K142-F152 WeakPolarHBondContact CE-O 3.45Å; K142-F152 HydrophobicContact CG-CE1 3.77Å; K142-F152 HydrophobicContact CG-CZ 3.85Å; K142-F152 PolarHBondContact NZ-O 3.42Å
143E97.9Very high97.7Very high71 Ų7130.3 Ų30.333%0.33214%0.143SC..Hα-helixtrans-60.6-46.8177.1-179.961.9-148.200110.6T139 V140 F141 S146 I257T139-E143 VanDerWaalsContact O-CB 3.27Å; T139-E143 WeakPolarHBondContact O-CB 3.23Å; T139-E143 PolarHBondContact O-N 2.93Å; V140-E143 PolarHBondContact O-N 3.3Å; F141-E143 PolarHBondContact O-N 3.41Å; E143-S146 PolarHBondContact O-N 3.12Å; E143-S146 PolarHBondContact O-OG 3.3Å; E143-I257 HydrophobicContact CB-CD1 4.09Å; E143-I257 HydrophobicContact CG-CD1 4.06Å; E143-I257 HydrophobicContact CG-CG1 4.19Å
144M98.2Very high97.7Very high4 Ų431.1 Ų31.12%0.0215%0.147CC..Hα-helixtrans-62.4-49.7-179.1179.456.157.300112.8V140 F141 K142 S146 R147 L184 Y256 C290 V291 L295 I299V140-M144 PolarHBondContact O-N 3.33Å; V140-M144 VanDerWaalsContact O-N 3.11Å; F141-M144 PolarHBondContact O-N 3.03Å; K142-M144 VanDerWaalsContact C-N 3.35Å; M144-S146 PolarHBondContact O-N 2.87Å; M144-R147 VanDerWaalsContact O-CB 3.29Å; M144-R147 WeakPolarHBondContact O-CB 3.37Å; M144-R147 PolarHBondContact O-N 3.28Å; M144-R147 VanDerWaalsContact O-N 3.12Å; M144-L184 HydrophobicContact CE-CD1 3.92Å; M144-L184 HydrophobicContact SD-CD1 3.49Å; M144-L184 WeakPolarHBondContact SD-CD1 3.45Å; M144-Y256 HydrophobicContact CE-CD1 4.37Å; M144-C290 WeakPolarHBondContact CE-O 3.38Å; M144-V291 HydrophobicContact CE-CG1 3.65Å; M144-V291 HydrophobicContact SD-CG1 4.23Å; M144-L295 HydrophobicContact CB-CD1 4.24Å; M144-L295 HydrophobicContact CB-CD2 3.77Å; M144-L295 HydrophobicContact CB-CG 4.44Å; M144-L295 HydrophobicContact CE-CD2 4Å; M144-L295 HydrophobicContact CG-CD1 4.3Å; M144-L295 HydrophobicContact CG-CD2 3.82Å; M144-L295 HydrophobicContact CG-CG 4.21Å; M144-I299 HydrophobicContact CG-CG2 3.55Å
145I97.9Very high97.7Very high0 Ų033.5 Ų33.50%016%0.159CC..Hα-helixtrans-71.4-19.6-175.871.6166.8000113.3L108 F141 R147 F148 V150 F152 F302L108-I145 HydrophobicContact CD2-CD1 3.56Å; F141-I145 HydrophobicContact CD1-CD1 4.22Å; F141-I145 HydrophobicContact CD1-CG2 4.4Å; F141-I145 HydrophobicContact CD2-CG2 3.96Å; F141-I145 HydrophobicContact CE1-CD1 3.59Å; F141-I145 HydrophobicContact CE1-CG1 4.34Å; F141-I145 HydrophobicContact CE1-CG2 4.06Å; F141-I145 HydrophobicContact CE2-CG2 3.54Å; F141-I145 HydrophobicContact CG-CG2 4.37Å; F141-I145 HydrophobicContact CZ-CD1 3.96Å; F141-I145 HydrophobicContact CZ-CG2 3.6Å; F141-I145 WeakPolarHBondContact O-CG2 3.43Å; F141-I145 PolarHBondContact O-N 3.39Å; I145-R147 PolarHBondContact O-N 3.27Å; I145-F148 WeakPolarHBondContact O-CB 3.47Å; I145-F148 PolarHBondContact O-N 2.75Å; I145-V150 HydrophobicContact CB-CB 4.29Å; I145-V150 HydrophobicContact CD1-CB 3.94Å; I145-V150 HydrophobicContact CD1-CG1 3.58Å; I145-V150 HydrophobicContact CG1-CB 4.11Å; I145-V150 HydrophobicContact CG1-CG1 4.27Å; I145-V150 PolarHBondContact O-N 2.78Å; I145-F152 HydrophobicContact CD1-CD1 3.63Å; I145-F152 HydrophobicContact CD1-CE1 3.18Å; I145-F152 HydrophobicContact CD1-CZ 4.16Å; I145-F152 HydrophobicContact CG1-CD1 4.39Å; I145-F152 HydrophobicContact CG1-CE1 3.77Å; I145-F302 HydrophobicContact CG2-CD2 4.27Å; I145-F302 HydrophobicContact CG2-CE2 4.03Å; I145-F302 HydrophobicContact CG2-CZ 4.18Å
146S97.8Very high97.8Very high25 Ų2535.4 Ų35.418%0.17517%0.169CC..Hα-helixtrans-60.1-27.217279.40000112.5K142 E143 M144 F148 G149 V150K142-S146 PolarHBondContact O-N 3.3Å; E143-S146 PolarHBondContact O-N 3.12Å; E143-S146 PolarHBondContact O-OG 3.3Å; M144-S146 PolarHBondContact O-N 2.87Å; S146-F148 VanDerWaalsContact C-N 3.25Å; S146-F148 PolarHBondContact O-N 2.95Å; S146-G149 WeakPolarHBondContact O-CA 3.48Å; S146-G149 PolarHBondContact O-N 2.81Å; S146-V150 VanDerWaalsContact CA-O 3.31Å; S146-V150 WeakPolarHBondContact CA-O 3.5Å
147R97.6Very high97.7Very high70 Ų7041.4 Ų41.426%0.26420%0.195SC..THydrogen-bonded Turntrans-69.4-24.9176.4-58.9177.2174.7-97.43.4112.5M144 I145 V182 S254 G255 Y256M144-R147 VanDerWaalsContact O-CB 3.29Å; M144-R147 WeakPolarHBondContact O-CB 3.37Å; M144-R147 PolarHBondContact O-N 3.28Å; M144-R147 VanDerWaalsContact O-N 3.12Å; I145-R147 PolarHBondContact O-N 3.27Å; R147-V182 HydrophobicContact CB-CG1 4.06Å; R147-S254 PolarHBondContact NH2-O 3.36Å; R147-G255 PolarHBondContact NH2-O 3.12Å; R147-Y256 VanDerWaalsContact NH1-CE1 3.26Å; R147-Y256 VanDerWaalsContact NH2-CD1 3.32Å
148F98.3Very high97.8Very high0 Ų044.6 Ų44.60%021%0.209CC..THydrogen-bonded Turntrans-83.30.7169.7-64.1-97.5000112.6I145 S146 L179 N180 V182 F302 M303I145-F148 WeakPolarHBondContact O-CB 3.47Å; I145-F148 PolarHBondContact O-N 2.75Å; S146-F148 VanDerWaalsContact C-N 3.25Å; S146-F148 PolarHBondContact O-N 2.95Å; F148-L179 HydrophobicContact CB-CD2 3.83Å; F148-L179 WeakPolarHBondContact O-CD2 3.31Å; F148-N180 WeakPolarHBondContact CD1-O 3.36Å; F148-N180 PolarHBondContact O-N 3.25Å; F148-V182 HydrophobicContact CD1-CG1 3.98Å; F148-V182 HydrophobicContact CD2-CG1 4.03Å; F148-V182 HydrophobicContact CE1-CB 4.46Å; F148-V182 HydrophobicContact CE1-CG1 3.98Å; F148-V182 HydrophobicContact CE1-CG2 3.69Å; F148-V182 HydrophobicContact CE2-CG1 4.05Å; F148-V182 HydrophobicContact CE2-CG2 3.97Å; F148-V182 HydrophobicContact CG-CG1 4.01Å; F148-V182 HydrophobicContact CZ-CB 4.37Å; F148-V182 HydrophobicContact CZ-CG1 4.04Å; F148-V182 HydrophobicContact CZ-CG2 3.38Å; F148-F302 HydrophobicContact CD1-CB 3.84Å; F148-F302 HydrophobicContact CD2-CB 4.34Å; F148-F302 HydrophobicContact CE1-CB 3.91Å; F148-F302 HydrophobicContact CE2-CB 4.39Å; F148-F302 HydrophobicContact CG-CB 4.06Å; F148-F302 HydrophobicContact CZ-CB 4.18Å; F148-M303 HydrophobicContact CE1-CG 3.97Å; F148-M303 HydrophobicContact CZ-CG 3.84Å
149G98Very high97.9Very high15 Ų1543.5 Ų43.516%0.15520%0.201CC..THydrogen-bonded Turntrans90.28.3-17700000114.6S146 Y151S146-G149 WeakPolarHBondContact O-CA 3.48Å; S146-G149 PolarHBondContact O-N 2.81Å; G149-Y151 WeakPolarHBondContact O-CD2 3.19Å
150V98.1Very high97.9Very high2 Ų241.4 Ų41.41%0.01219%0.188CC..  trans-91.5121.2-177.2-177.20000111.6I112 I145 S146 F152 I176 L179 F302I112-V150 HydrophobicContact CD1-CG2 3.95Å; I112-V150 HydrophobicContact CG2-CG1 3.53Å; I112-V150 HydrophobicContact CG2-CG2 4.35Å; I145-V150 HydrophobicContact CB-CB 4.29Å; I145-V150 HydrophobicContact CD1-CB 3.94Å; I145-V150 HydrophobicContact CD1-CG1 3.58Å; I145-V150 HydrophobicContact CG1-CB 4.11Å; I145-V150 HydrophobicContact CG1-CG1 4.27Å; I145-V150 PolarHBondContact O-N 2.78Å; S146-V150 VanDerWaalsContact CA-O 3.31Å; S146-V150 WeakPolarHBondContact CA-O 3.5Å; V150-F152 HydrophobicContact CG1-CD1 4.36Å; V150-I176 HydrophobicContact CG2-CD1 3.95Å; V150-L179 HydrophobicContact CG2-CD2 3.3Å; V150-F302 HydrophobicContact CG2-CD1 4.43Å; V150-F302 HydrophobicContact CG2-CE1 4.37Å
151Y96.4Very high97.7Very high163 Ų16341.5 Ų41.564%0.63919%0.189SC*.  trans-122.2128174.6-57.3-87.8000110.6G149G149-Y151 WeakPolarHBondContact O-CD2 3.19Å
152F97.5Very high97.3Very high9 Ų946.4 Ų46.44%0.03921%0.21CC..EExtended strand (participates in β ladder)trans-142156.1177.766.3-78.4000110.7L108 L137 F141 K142 I145 V150 L154 L171 Q172 V173L108-F152 HydrophobicContact CD1-CB 4.45Å; L108-F152 HydrophobicContact CD1-CG 4.45Å; L108-F152 HydrophobicContact CD2-CD1 4.27Å; L108-F152 HydrophobicContact CD2-CE1 4.27Å; L137-F152 HydrophobicContact CD2-CE2 3.86Å; L137-F152 HydrophobicContact CD2-CZ 3.95Å; F141-F152 HydrophobicContact CD1-CZ 4.11Å; F141-F152 HydrophobicContact CE1-CE1 4.45Å; F141-F152 HydrophobicContact CE1-CZ 4.26Å; K142-F152 HydrophobicContact CB-CE1 3.99Å; K142-F152 HydrophobicContact CB-CZ 3.75Å; K142-F152 HydrophobicContact CD-CE1 4.49Å; K142-F152 HydrophobicContact CD-CZ 4.3Å; K142-F152 WeakPolarHBondContact CE-O 3.45Å; K142-F152 HydrophobicContact CG-CE1 3.77Å; K142-F152 HydrophobicContact CG-CZ 3.85Å; K142-F152 PolarHBondContact NZ-O 3.42Å; I145-F152 HydrophobicContact CD1-CD1 3.63Å; I145-F152 HydrophobicContact CD1-CE1 3.18Å; I145-F152 HydrophobicContact CD1-CZ 4.16Å; I145-F152 HydrophobicContact CG1-CD1 4.39Å; I145-F152 HydrophobicContact CG1-CE1 3.77Å; V150-F152 HydrophobicContact CG1-CD1 4.36Å; F152-L154 HydrophobicContact CD2-CD1 4.13Å; F152-L154 HydrophobicContact CD2-CG 3.93Å; F152-L154 HydrophobicContact CE2-CD1 3.48Å; F152-L154 VanDerWaalsContact CE2-CD1 3.48Å; F152-L154 HydrophobicContact CE2-CG 3.8Å; F152-L171 HydrophobicContact CB-CD1 4.09Å; F152-L171 HydrophobicContact CD2-CD1 3.42Å; F152-L171 VanDerWaalsContact CD2-CD1 3.42Å; F152-L171 HydrophobicContact CE2-CD1 4.24Å; F152-L171 HydrophobicContact CG-CD1 4.11Å; F152-Q172 WeakPolarHBondContact CA-O 3.35Å; F152-Q172 WeakPolarHBondContact CB-O 3.33Å; F152-V173 HydrophobicContact CB-CG2 4.32Å
153H97.7Very high96.9Very high92 Ų9247.7 Ų47.743%0.42623%0.226SC..EExtended strand (participates in β ladder)trans-111.8138.4177.8-168.769.5000110.4I155 L171 Q172H153-I155 WeakPolarHBondContact CD2-CG1 3.13Å; H153-I155 WeakPolarHBondContact NE2-CG1 3.36Å; H153-L171 WeakPolarHBondContact O-CA 3.32Å; H153-Q172 HydrophobicContact CB-CB 4.28Å; H153-Q172 PolarHBondContact CD2-OE1 2.96Å; H153-Q172 PolarHBondContact N-O 3.31Å; H153-Q172 PolarHBondContact O-N 3.32Å
154L97.5Very high96.6Very high20 Ų2053.1 Ų53.111%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-127.5126.5176.8-82.7173.5000109.7I104 I134 L137 I138 F152 V169 V170 L171I104-L154 HydrophobicContact CD1-CD1 4.02Å; I104-L154 HydrophobicContact CD1-CD2 3.68Å; I134-L154 HydrophobicContact CD1-CD1 4.4Å; L137-L154 HydrophobicContact CD2-CD1 3.29Å; I138-L154 HydrophobicContact CG2-CB 3.94Å; I138-L154 HydrophobicContact CG2-CD1 3.53Å; I138-L154 HydrophobicContact CG2-CG 4.41Å; F152-L154 HydrophobicContact CD2-CD1 4.13Å; F152-L154 HydrophobicContact CD2-CG 3.93Å; F152-L154 HydrophobicContact CE2-CD1 3.48Å; F152-L154 VanDerWaalsContact CE2-CD1 3.48Å; F152-L154 HydrophobicContact CE2-CG 3.8Å; L154-V169 HydrophobicContact CD2-CG1 3.51Å; L154-V170 WeakPolarHBondContact CA-O 3.36Å; L154-L171 HydrophobicContact CD2-CB 3.72Å; L154-L171 HydrophobicContact CD2-CD1 3.68Å; L154-L171 HydrophobicContact CD2-CG 4.3Å; L154-L171 HydrophobicContact CG-CD1 4Å
155I98.2Very high96.4Very high49 Ų4953 Ų5325%0.25124%0.242SC..EExtended strand (participates in β ladder)trans-116.7112.5176.9-51168.5000108.3H153 K157 V169 V170H153-I155 WeakPolarHBondContact CD2-CG1 3.13Å; H153-I155 WeakPolarHBondContact NE2-CG1 3.36Å; I155-K157 HydrophobicContact CG2-CD 3.83Å; I155-K157 HydrophobicContact CG2-CG 4.4Å; I155-K157 PolarHBondContact O-N 3.05Å; I155-V169 CarbonylContact O-C 3.57Å; I155-V169 WeakPolarHBondContact O-CA 3.48Å; I155-V170 HydrophobicContact CB-CB 4.33Å; I155-V170 PolarHBondContact N-O 2.88Å; I155-V170 PolarHBondContact O-N 2.99Å
156I98Very high96.2Very high49 Ų4954.7 Ų54.725%0.25126%0.26SS..EExtended strand (participates in β ladder)trans-79.6104.7172.1-55.9169.6000107.5I134 I138 R159 V169I134-I156 HydrophobicContact CG1-CD1 4.08Å; I134-I156 HydrophobicContact CG1-CG1 4.17Å; I134-I156 HydrophobicContact CG2-CD1 3.67Å; I134-I156 HydrophobicContact CG2-CG1 4.45Å; I138-I156 HydrophobicContact CD1-CD1 4.36Å; I156-R159 HydrophobicContact CG2-CG 3.9Å; I156-V169 HydrophobicContact CG1-CG2 4.35Å
157K97.9Very high96.2Very high127 Ų12753.5 Ų53.555%0.55225%0.252SS*.EExtended strand (participates in β ladder)trans-83.5-34176.8-62.9-64.2-175.3-179.10111.7I155 V168 V170I155-K157 HydrophobicContact CG2-CD 3.83Å; I155-K157 HydrophobicContact CG2-CG 4.4Å; I155-K157 PolarHBondContact O-N 3.05Å; K157-V168 HydrophobicContact CB-CB 4.15Å; K157-V168 HydrophobicContact CB-CG1 4.12Å; K157-V168 PolarHBondContact N-O 2.96Å; K157-V170 HydrophobicContact CG-CG2 3.99Å
158K97.8Very high96.3Very high67 Ų6751.9 Ų51.929%0.29125%0.25SC..EExtended strand (participates in β ladder)trans-153.5136.2175.9-158170.1-168.3172.40110G167 V168 A237 N238 V240K158-G167 CarbonylContact O-C 3.6Å; K158-G167 WeakPolarHBondContact O-CA 3.43Å; K158-V168 HydrophobicContact CB-CB 4.27Å; K158-V168 HydrophobicContact CB-CG2 4.34Å; K158-V168 PolarHBondContact N-O 3.48Å; K158-V168 VanDerWaalsContact N-O 3.08Å; K158-V168 PolarHBondContact O-N 3.45Å; K158-A237 VanDerWaalsContact CE-O 3.31Å; K158-A237 WeakPolarHBondContact CE-O 3.33Å; K158-N238 CarbonylContact C-O 3.59Å; K158-N238 WeakPolarHBondContact CA-O 3.25Å; K158-N238 VanDerWaalsContact CG-O 3.32Å; K158-N238 WeakPolarHBondContact CG-O 3.23Å; K158-V240 HydrophobicContact CD-CG2 3.81Å; K158-V240 VanDerWaalsContact CE-CG2 3.44Å; K158-V240 HydrophobicContact CG-CG2 4.4Å
159R98.2Very high96.3Very high34 Ų3451.9 Ų51.913%0.12825%0.25CC..EExtended strand (participates in β ladder)trans-80.1144.8171.4-66.5-166.6-178-91.81.2111D135 I156 Y161 E234 N238 A239 V240D135-R159 IonicContact OD1-CZ 3.74Å; D135-R159 IonicContact OD1-NH1 3.87Å; D135-R159 IonicContact OD1-NH2 2.73Å; D135-R159 PolarHBondContact OD1-NH2 3.42Å; D135-R159 IonicContact OD2-CZ 2.73Å; D135-R159 IonicContact OD2-NH1 3.84Å; D135-R159 PolarHBondContact OD2-NH1 3.23Å; D135-R159 IonicContact OD2-NH2 2.83Å; D135-R159 PolarHBondContact OD2-NH2 2.88Å; I156-R159 HydrophobicContact CG2-CG 3.9Å; R159-Y161 HydrophobicContact CB-CE2 3.91Å; R159-Y161 WeakPolarHBondContact CD-OH 3.31Å; R159-E234 WeakPolarHBondContact CD-OE1 3.32Å; R159-E234 IonicContact CZ-OE1 3.98Å; R159-E234 IonicContact NE-OE1 3.76Å; R159-E234 PolarHBondContact NE-OE1 2.74Å; R159-N238 PolarHBondContact N-O 2.78Å; R159-A239 HydrophobicContact CB-CB 4.25Å; R159-A239 CarbonylContact O-C 3.55Å; R159-A239 VanDerWaalsContact O-CA 3.32Å; R159-A239 WeakPolarHBondContact O-CA 3.26Å; R159-V240 PolarHBondContact O-N 2.96Å
160G97.5Very high96.3Very high0 Ų052 Ų520%025%0.248CC..EExtended strand (participates in β ladder)trans-134.7120.6178.300000110.3A125 T126 N127 G165A125-G160 CarbonylContact C-O 3.6Å; A125-G160 VanDerWaalsContact CA-O 3.25Å; A125-G160 WeakPolarHBondContact CA-O 3.45Å; T126-G160 PolarHBondContact N-O 3.32Å; T126-G160 PolarHBondContact OG1-N 2.81Å; T126-G160 PolarHBondContact OG1-O 3.06Å; N127-G160 PolarHBondContact N-O 2.9Å; G160-G165 WeakPolarHBondContact CA-O 3.35Å
161Y95.9Very high96.3Very high4 Ų452 Ų522%0.01625%0.247CC..BIsolated β-bridgetrans-104.2136.6-174.9-63-75.5000111.4N127 R159 R164 G165 W198 A200 E234 A239 V240 N242N127-Y161 HydrophobicContact CB-CD1 3.64Å; N127-Y161 HydrophobicContact CB-CE1 3.85Å; N127-Y161 WeakPolarHBondContact OD1-CE1 3.37Å; R159-Y161 HydrophobicContact CB-CE2 3.91Å; R159-Y161 WeakPolarHBondContact CD-OH 3.31Å; Y161-R164 PolarHBondContact O-N 2.97Å; Y161-G165 PolarHBondContact O-N 2.8Å; Y161-W198 AromaticContact CD1-NE1 3.93Å; Y161-W198 AromaticContact CE1-CD1 3.46Å; Y161-W198 VanDerWaalsContact CE1-CD1 3.46Å; Y161-W198 HydrophobicContact CE1-CG 4.48Å; Y161-W198 AromaticContact CE1-NE1 3.23Å; Y161-W198 AromaticContact CZ-CD1 3.73Å; Y161-A200 HydrophobicContact CD2-CB 3.57Å; Y161-A200 HydrophobicContact CE2-CB 3.17Å; Y161-E234 HydrophobicContact CE2-CG 4.39Å; Y161-E234 WeakPolarHBondContact OH-CG 3.49Å; Y161-A239 HydrophobicContact CD2-CB 4.38Å; Y161-A239 HydrophobicContact CE2-CB 3.82Å; Y161-V240 PolarHBondContact N-O 2.82Å; Y161-N242 VanDerWaalsContact CB-O 3.28Å; Y161-N242 WeakPolarHBondContact CB-O 3.17Å
162F89.6Confident96.5Very high105 Ų10548 Ų4846%0.46123%0.234SC..THydrogen-bonded Turntrans-56.9138168.4-179.2-85.4000110.6A97 N127A97-F162 HydrophobicContact CB-CB 4.21Å; A97-F162 HydrophobicContact CB-CD2 3.6Å; A97-F162 HydrophobicContact CB-CE2 4.39Å; A97-F162 HydrophobicContact CB-CG 4.29Å; N127-F162 PolarHBondContact O-N 2.89Å; N127-F162 VanDerWaalsContact O-N 3.13Å
163P88.9Confident96.5Very high96 Ų9647.6 Ų47.662%0.62323%0.233SC*.THydrogen-bonded Turncis-91-27.335.3-36.4000115.3A97A97-P163 WeakPolarHBondContact CB-O 3.14Å
164R91.3Very high96.5Very high185 Ų18547.7 Ų47.770%0.69824%0.24SC*.THydrogen-bonded Turntrans-79-37.9-175.5-68.7-162.4-177.3176.8-1.5113.5Y161 V240Y161-R164 PolarHBondContact O-N 2.97Å; R164-V240 HydrophobicContact CB-CG1 4.45Å
165G93.4Very high96.5Very high0 Ų047.6 Ų47.60%024%0.24CC..BIsolated β-bridgetrans69.6-133-171.800000111.2G124 G160 Y161 G167 V240G124-G165 CarbonylContact O-C 3.58Å; G160-G165 WeakPolarHBondContact CA-O 3.35Å; Y161-G165 PolarHBondContact O-N 2.8Å; G165-G167 VanDerWaalsContact C-N 3.27Å; G165-G167 PolarHBondContact O-N 2.9Å; G165-V240 WeakPolarHBondContact O-CB 3.48Å
166G95.2Very high96.5Very high37 Ų3746.8 Ų46.838%0.38124%0.237SC..  trans75.99.9177.400000115.5G124G124-G166 PolarHBondContact O-N 3.48Å; G124-G166 VanDerWaalsContact O-N 3.12Å
167G97.8Very high96.4Very high0 Ų049.8 Ų49.80%025%0.253CS..EExtended strand (participates in β ladder)trans-72.2156.5170.300000111.2K123 G124 K158 G165K123-G167 VanDerWaalsContact CA-O 3.27Å; K123-G167 WeakPolarHBondContact CA-O 3.31Å; G124-G167 PolarHBondContact N-O 3.23Å; G124-G167 VanDerWaalsContact N-O 3.15Å; G124-G167 WeakPolarHBondContact O-CA 3.43Å; G124-G167 PolarHBondContact O-N 3.19Å; K158-G167 CarbonylContact O-C 3.6Å; K158-G167 WeakPolarHBondContact O-CA 3.43Å; G165-G167 VanDerWaalsContact C-N 3.27Å; G165-G167 PolarHBondContact O-N 2.9Å
168V98.3Very high96.4Very high36 Ų3647 Ų4722%0.21824%0.242CC..EExtended strand (participates in β ladder)trans-135.8120.6-179.1-175.30000108.3V121 L122 K123 K157 K158V121-V168 HydrophobicContact CG1-CG1 4.05Å; L122-V168 WeakPolarHBondContact O-CA 3.44Å; K123-V168 HydrophobicContact CG-CG2 4.36Å; K157-V168 HydrophobicContact CB-CB 4.15Å; K157-V168 HydrophobicContact CB-CG1 4.12Å; K157-V168 PolarHBondContact N-O 2.96Å; K158-V168 HydrophobicContact CB-CB 4.27Å; K158-V168 HydrophobicContact CB-CG2 4.34Å; K158-V168 PolarHBondContact N-O 3.48Å; K158-V168 VanDerWaalsContact N-O 3.08Å; K158-V168 PolarHBondContact O-N 3.45Å
169V98.7Very high96.4Very high0 Ų043.8 Ų43.80%023%0.229CC..EExtended strand (participates in β ladder)trans-128136.8177.61790000108.9I100 L122 T126 I134 L154 I155 I156I100-V169 HydrophobicContact CD1-CB 4.31Å; I100-V169 HydrophobicContact CD1-CG2 3.85Å; I100-V169 HydrophobicContact CG2-CB 3.89Å; I100-V169 HydrophobicContact CG2-CG1 4.4Å; I100-V169 HydrophobicContact CG2-CG2 3.97Å; L122-V169 PolarHBondContact N-O 2.96Å; L122-V169 PolarHBondContact O-N 3.13Å; T126-V169 HydrophobicContact CG2-CG2 3.76Å; I134-V169 HydrophobicContact CD1-CG1 4.41Å; I134-V169 HydrophobicContact CD1-CG2 4.43Å; I134-V169 HydrophobicContact CG1-CG2 4.34Å; L154-V169 HydrophobicContact CD2-CG1 3.51Å; I155-V169 CarbonylContact O-C 3.57Å; I155-V169 WeakPolarHBondContact O-CA 3.48Å; I156-V169 HydrophobicContact CG1-CG2 4.35Å
170V98.8Very high96.4Very high18 Ų1846.1 Ų46.111%0.10924%0.244CC..EExtended strand (participates in β ladder)trans-105.6118173.7-175.40000108.1T119 L120 V121 L154 I155 K157 Q172T119-V170 HydrophobicContact CG2-CG1 3.67Å; L120-V170 WeakPolarHBondContact O-CA 3.43Å; V121-V170 HydrophobicContact CG2-CG2 4.37Å; L154-V170 WeakPolarHBondContact CA-O 3.36Å; I155-V170 HydrophobicContact CB-CB 4.33Å; I155-V170 PolarHBondContact N-O 2.88Å; I155-V170 PolarHBondContact O-N 2.99Å; K157-V170 HydrophobicContact CG-CG2 3.99Å; V170-Q172 HydrophobicContact CG1-CG 4.25Å
171L98.8Very high96.4Very high0 Ų048.7 Ų48.70%026%0.261CS..EExtended strand (participates in β ladder)trans-95.9130.9170.7172.668000108.9I104 L111 T119 L120 F152 H153 L154 V173I104-L171 HydrophobicContact CG1-CD2 4.35Å; I104-L171 HydrophobicContact CG2-CD2 4.21Å; L111-L171 HydrophobicContact CD1-CD2 4.24Å; T119-L171 CarbonylContact C-O 3.6Å; T119-L171 WeakPolarHBondContact CA-O 3.48Å; L120-L171 HydrophobicContact CB-CB 4.3Å; L120-L171 HydrophobicContact CD2-CD2 4.21Å; L120-L171 PolarHBondContact N-O 3.13Å; L120-L171 PolarHBondContact O-N 3.13Å; F152-L171 HydrophobicContact CB-CD1 4.09Å; F152-L171 HydrophobicContact CD2-CD1 3.42Å; F152-L171 VanDerWaalsContact CD2-CD1 3.42Å; F152-L171 HydrophobicContact CE2-CD1 4.24Å; F152-L171 HydrophobicContact CG-CD1 4.11Å; H153-L171 WeakPolarHBondContact O-CA 3.32Å; L154-L171 HydrophobicContact CD2-CB 3.72Å; L154-L171 HydrophobicContact CD2-CD1 3.68Å; L154-L171 HydrophobicContact CD2-CG 4.3Å; L154-L171 HydrophobicContact CG-CD1 4Å; L171-V173 HydrophobicContact CD1-CG2 3.88Å; L171-V173 HydrophobicContact CD2-CG2 3.81Å; L171-V173 HydrophobicContact CG-CG2 3.68Å
172Q98.7Very high96.6Very high79 Ų7948.9 Ų48.937%0.36926%0.263SS..EExtended strand (participates in β ladder)trans-121.3124.4172.1-60.7177.5-55.500109.2T118 T119 F152 H153 V170T118-Q172 WeakPolarHBondContact O-CA 3.45Å; T119-Q172 HydrophobicContact CG2-CG 4.37Å; F152-Q172 WeakPolarHBondContact CA-O 3.35Å; F152-Q172 WeakPolarHBondContact CB-O 3.33Å; H153-Q172 HydrophobicContact CB-CB 4.28Å; H153-Q172 PolarHBondContact CD2-OE1 2.96Å; H153-Q172 PolarHBondContact N-O 3.31Å; H153-Q172 PolarHBondContact O-N 3.32Å; V170-Q172 HydrophobicContact CG1-CG 4.25Å
173V98.5Very high97Very high2 Ų248.3 Ų48.31%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-126.1129-176.8-170.80000109.1L108 L111 I112 P117 T118 F152 L171L108-V173 HydrophobicContact CD1-CG1 4.1Å; L108-V173 HydrophobicContact CD1-CG2 3.72Å; L111-V173 HydrophobicContact CB-CB 4.19Å; L111-V173 HydrophobicContact CB-CG1 4.11Å; L111-V173 HydrophobicContact CB-CG2 4.17Å; L111-V173 HydrophobicContact CD1-CG2 4.25Å; I112-V173 HydrophobicContact CG2-CG1 3.79Å; P117-V173 WeakPolarHBondContact CA-O 3.44Å; T118-V173 PolarHBondContact N-O 2.76Å; T118-V173 PolarHBondContact O-N 2.73Å; F152-V173 HydrophobicContact CB-CG2 4.32Å; L171-V173 HydrophobicContact CD1-CG2 3.88Å; L171-V173 HydrophobicContact CD2-CG2 3.81Å; L171-V173 HydrophobicContact CG-CG2 3.68Å
174T97.6Very high97.4Very high94 Ų9444.1 Ų44.158%0.57724%0.24SC*.  trans-100.1129.9167.5-590000108
175P97.8Very high97.5Very high17 Ų1739.1 Ų39.111%0.1123%0.227CC..  trans-65.9153.3179.4-22.233.9000112.5I112 A114 S116 R357I112-P175 CarbonylContact O-C 3.43Å; I112-P175 WeakPolarHBondContact O-CA 3.4Å; A114-P175 VanDerWaalsContact O-CB 3.26Å; A114-P175 WeakPolarHBondContact O-CB 3.41Å; A114-P175 WeakPolarHBondContact O-CG 3.12Å; S116-P175 VanDerWaalsContact O-CG 3.28Å; S116-P175 WeakPolarHBondContact O-CG 3.41Å; P175-R357 VanDerWaalsContact CB-CZ 3.44Å
176I97.8Very high97.5Very high33 Ų3343.9 Ų43.917%0.16925%0.252CS..  trans-121.4159173.865.4179.4000108.9I112 F113 V150 M178 L179 R357I112-I176 HydrophobicContact CB-CD1 4.48Å; I112-I176 HydrophobicContact CB-CG1 4.31Å; I112-I176 HydrophobicContact CD1-CD1 4.34Å; I112-I176 PolarHBondContact O-N 3.19Å; F113-I176 HydrophobicContact CE1-CG1 4.43Å; V150-I176 HydrophobicContact CG2-CD1 3.95Å; I176-M178 WeakPolarHBondContact CD1-O 3.25Å; I176-L179 HydrophobicContact CD1-CD2 3.66Å; I176-L179 HydrophobicContact CD1-CG 4.14Å; I176-R357 VanDerWaalsContact O-CD 3.3Å; I176-R357 WeakPolarHBondContact O-CD 3.41Å
177D96.5Very high97.5Very high111 Ų11142.3 Ų42.359%0.59424%0.236SC*.SBendtrans-82.9-30.8-178.8-62-33.6000112.6K356 R357D177-K356 CarbonylContact O-C 3.55Å; D177-K356 VanDerWaalsContact O-CA 3.29Å; D177-K356 WeakPolarHBondContact O-CA 3.29Å; D177-R357 PolarHBondContact O-N 3.39Å; D177-R357 IonicContact OD1-NH1 3.81Å
178M97.3Very high97.3Very high68 Ų6844 Ų4434%0.33525%0.253SS..BIsolated β-bridgetrans-160.7159.8-178.255.1174.9-71.700110.9I176 E307 K356I176-M178 WeakPolarHBondContact CD1-O 3.25Å; M178-E307 HydrophobicContact CE-CB 3.71Å; M178-E307 HydrophobicContact CE-CG 4.36Å; M178-E307 WeakPolarHBondContact CE-OE2 3.36Å; M178-K356 HydrophobicContact CB-CG 4.42Å
179L98.4Very high97.2Very high0 Ų045.9 Ų45.90%027%0.268CS..PPolyproline II helixtrans-95.8141.7174.4-73164.3000111.1I112 F113 F148 V150 I176 F302 L305 A306 E307I112-L179 HydrophobicContact CD1-CD1 4.15Å; I112-L179 HydrophobicContact CD1-CD2 3.9Å; I112-L179 HydrophobicContact CD1-CG 4.26Å; F113-L179 HydrophobicContact CE2-CD1 3.97Å; F113-L179 HydrophobicContact CE2-CG 4.32Å; F113-L179 HydrophobicContact CZ-CD1 3.87Å; F113-L179 HydrophobicContact CZ-CG 3.82Å; F148-L179 HydrophobicContact CB-CD2 3.83Å; F148-L179 WeakPolarHBondContact O-CD2 3.31Å; V150-L179 HydrophobicContact CG2-CD2 3.3Å; I176-L179 HydrophobicContact CD1-CD2 3.66Å; I176-L179 HydrophobicContact CD1-CG 4.14Å; L179-F302 HydrophobicContact CD1-CD1 4.19Å; L179-F302 HydrophobicContact CD2-CD1 4.22Å; L179-L305 HydrophobicContact CD1-CB 3.64Å; L179-L305 HydrophobicContact CD1-CD1 4.41Å; L179-A306 HydrophobicContact CB-CB 4.05Å; L179-E307 PolarHBondContact O-N 3.33Å
180N98.1Very high97.1Very high84 Ų8448.7 Ų48.745%0.44928%0.283SS..BIsolated β-bridgetrans-76.7138.3170.7-60.4-41.3000110.4F148F148-N180 WeakPolarHBondContact CD1-O 3.36Å; F148-N180 PolarHBondContact O-N 3.25Å
181C98Very high97.1Very high53 Ų5351.1 Ų51.136%0.35830%0.297SS..PPolyproline II helixtrans-68.8156.6162.265.60000111A306 E307 T309 S310C181-A306 HydrophobicContact CB-CB 4.36Å; C181-E307 VanDerWaalsContact CB-O 3.32Å; C181-E307 WeakPolarHBondContact CB-O 3.48Å; C181-T309 WeakPolarHBondContact CB-O 3.38Å; C181-S310 WeakPolarHBondContact CA-OG 3.38Å; C181-S310 WeakPolarHBondContact CB-OG 3.35Å
182V98.4Very high97.1Very high8 Ų853 Ų535%0.04831%0.306CS..  trans-127.7144.1-177.5-60.80000112.4R147 F148 L184 S310 T311 V312R147-V182 HydrophobicContact CB-CG1 4.06Å; F148-V182 HydrophobicContact CD1-CG1 3.98Å; F148-V182 HydrophobicContact CD2-CG1 4.03Å; F148-V182 HydrophobicContact CE1-CB 4.46Å; F148-V182 HydrophobicContact CE1-CG1 3.98Å; F148-V182 HydrophobicContact CE1-CG2 3.69Å; F148-V182 HydrophobicContact CE2-CG1 4.05Å; F148-V182 HydrophobicContact CE2-CG2 3.97Å; F148-V182 HydrophobicContact CG-CG1 4.01Å; F148-V182 HydrophobicContact CZ-CB 4.37Å; F148-V182 HydrophobicContact CZ-CG1 4.04Å; F148-V182 HydrophobicContact CZ-CG2 3.38Å; V182-L184 HydrophobicContact CB-CD1 4.41Å; V182-L184 HydrophobicContact CB-CD2 4.1Å; V182-L184 HydrophobicContact CB-CG 4.04Å; V182-L184 HydrophobicContact CG2-CD1 4.14Å; V182-L184 HydrophobicContact CG2-CG 4.04Å; V182-S310 PolarHBondContact N-OG 3.49Å; V182-S310 CarbonylContact O-C 3.59Å; V182-S310 WeakPolarHBondContact O-CA 3.5Å; V182-T311 PolarHBondContact O-N 3.24Å; V182-V312 HydrophobicContact CG2-CG2 3.87Å
183T98.1Very high97.1Very high93 Ų9349.2 Ų49.257%0.57129%0.289SS*.EExtended strand (participates in β ladder)trans-121.898.9171.4-55.50000109.1L185 T311T183-L185 HydrophobicContact CG2-CD1 3.78Å; T183-L185 HydrophobicContact CG2-CD2 4.41Å; T183-L185 HydrophobicContact CG2-CG 3.79Å; T183-T311 CarbonylContact C-O 3.54Å; T183-T311 WeakPolarHBondContact CA-O 3.32Å
184L97.1Very high97.1Very high8 Ų853.7 Ų53.74%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-118.588.1-173.5-44.6-177.9000109.2M144 V182 Y256 C290 T311 V312 R313M144-L184 HydrophobicContact CE-CD1 3.92Å; M144-L184 HydrophobicContact SD-CD1 3.49Å; M144-L184 WeakPolarHBondContact SD-CD1 3.45Å; V182-L184 HydrophobicContact CB-CD1 4.41Å; V182-L184 HydrophobicContact CB-CD2 4.1Å; V182-L184 HydrophobicContact CB-CG 4.04Å; V182-L184 HydrophobicContact CG2-CD1 4.14Å; V182-L184 HydrophobicContact CG2-CG 4.04Å; L184-Y256 HydrophobicContact CD1-CE1 4.42Å; L184-Y256 HydrophobicContact CD2-CE1 3.9Å; L184-C290 VanDerWaalsContact C-SG 3.52Å; L184-C290 HydrophobicContact CB-CB 3.82Å; L184-C290 PolarHBondContact O-SG 3.35Å; L184-C290 VanDerWaalsContact O-SG 3.38Å; L184-T311 PolarHBondContact N-O 3.22Å; L184-V312 HydrophobicContact CB-CG1 4.36Å; L184-V312 HydrophobicContact CB-CG2 4.35Å; L184-V312 HydrophobicContact CD1-CG1 4.36Å; L184-V312 HydrophobicContact CD1-CG2 4.03Å; L184-V312 HydrophobicContact CG-CG2 4.21Å; L184-R313 PolarHBondContact O-N 3.22Å
185L94.7Very high97.1Very high80 Ų8049.3 Ų49.342%0.41928%0.282SS..  trans-108.8-25.3-170.7-57.8179.2000114.1T183 T311 R313 L347T183-L185 HydrophobicContact CG2-CD1 3.78Å; T183-L185 HydrophobicContact CG2-CD2 4.41Å; T183-L185 HydrophobicContact CG2-CG 3.79Å; L185-T311 HydrophobicContact CD2-CG2 3.58Å; L185-R313 WeakPolarHBondContact O-CD 3.39Å; L185-R313 PolarHBondContact O-NH1 3.12Å; L185-R313 VanDerWaalsContact O-NH1 3.16Å; L185-L347 HydrophobicContact CD2-CD2 3.93Å
186D92.9Very high97.2Very high100 Ų10050.6 Ų50.654%0.53529%0.287SS..  trans-137.4116-177.3-176.513.9000111.1G188 S254 Y256D186-G188 PolarHBondContact O-N 2.91Å; D186-G188 PolarHBondContact OD1-N 3.4Å; D186-S254 PolarHBondContact O-OG 3.08Å; D186-Y256 WeakPolarHBondContact O-CE2 3.36Å
187A94.5Very high97.2Very high4 Ų449 Ų493%0.03328%0.279CS..  trans-72.8-18.5175.600000113.3T252 S254 Y256 A289A187-T252 HydrophobicContact CB-CG2 4.24Å; A187-T252 WeakPolarHBondContact O-CB 3.28Å; A187-T252 PolarHBondContact O-OG1 3.32Å; A187-S254 WeakPolarHBondContact O-CB 3.27Å; A187-S254 PolarHBondContact O-N 3.29Å; A187-S254 PolarHBondContact O-OG 2.96Å; A187-Y256 HydrophobicContact CB-CD2 3.88Å; A187-Y256 HydrophobicContact CB-CE2 4.37Å; A187-A289 WeakPolarHBondContact CB-O 3.33Å
188G95.1Very high97.3Very high35 Ų3544 Ų4436%0.36125%0.252SS..  trans69.6-152.9-173.200000112D186 S253D186-G188 PolarHBondContact O-N 2.91Å; D186-G188 PolarHBondContact OD1-N 3.4Å; G188-S253 WeakPolarHBondContact CA-OG 3.41Å
189S95.7Very high97.3Very high77 Ų7740.7 Ų40.754%0.53824%0.236SC..  trans-93158.9-17762.70000112.6V191 T252 S253S189-V191 PolarHBondContact O-N 3.42Å; S189-T252 CarbonylContact O-C 3.55Å; S189-T252 WeakPolarHBondContact O-CA 3.4Å; S189-S253 PolarHBondContact N-OG 2.93Å; S189-S253 PolarHBondContact O-N 2.92Å
190L97Very high97.3Very high59 Ų5940.8 Ų40.831%0.30924%0.236SC..EExtended strand (participates in β ladder)trans-72.1125.2173.7-69.7166000110.7M223 C225 A250 T252 T285L190-M223 HydrophobicContact CD1-CE 3.35Å; L190-M223 HydrophobicContact CD2-CE 4.08Å; L190-M223 HydrophobicContact CG-CE 4.33Å; L190-C225 HydrophobicContact CB-CB 4.25Å; L190-A250 HydrophobicContact CD2-CB 3.87Å; L190-T252 HydrophobicContact CD2-CG2 4.48Å; L190-T285 HydrophobicContact CD2-CG2 3.84Å
191V98.1Very high97.2Very high68 Ų6839.3 Ų39.341%0.41224%0.241SC..EExtended strand (participates in β ladder)trans-94.8-46.7179.7173.40000111.1S189 P226 R251S189-V191 PolarHBondContact O-N 3.42Å; V191-P226 WeakPolarHBondContact O-CD 3.38Å; V191-R251 PolarHBondContact N-O 3.33Å
192E98.4Very high97Very high39 Ų3941.3 Ų41.318%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-160.7155.8-179.459.5177.1175.600110.9K194 R251E192-K194 IonicContact OE1-NZ 3.5Å; E192-K194 PolarHBondContact OE1-NZ 3.02Å; E192-K194 WeakPolarHBondContact OE2-CE 3.44Å; E192-K194 IonicContact OE2-NZ 3.62Å; E192-K194 PolarHBondContact OE2-NZ 3.19Å; E192-R251 HydrophobicContact CG-CB 3.97Å; E192-R251 PolarHBondContact O-N 2.84Å; E192-R251 IonicContact OE1-CZ 3.51Å; E192-R251 IonicContact OE1-NE 2.79Å; E192-R251 IonicContact OE1-NH1 3.51Å; E192-R251 PolarHBondContact OE1-NH1 3.28Å
193V98.8Very high96.9Very high1 Ų142.2 Ų42.21%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-114.8126.5164.5175.50000109.7L219 M223 P226 I227 S228 F249 A250 L281V193-L219 HydrophobicContact CG1-CD1 3.92Å; V193-L219 HydrophobicContact CG1-CD2 4.38Å; V193-M223 HydrophobicContact CG2-CE 3.76Å; V193-M223 HydrophobicContact CG2-SD 3.77Å; V193-P226 PolarHBondContact N-O 3Å; V193-I227 HydrophobicContact CB-CD1 3.62Å; V193-I227 HydrophobicContact CG1-CD1 4.44Å; V193-I227 HydrophobicContact CG2-CD1 3.88Å; V193-I227 WeakPolarHBondContact O-CA 3.28Å; V193-S228 PolarHBondContact O-N 3.48Å; V193-F249 CarbonylContact C-O 3.41Å; V193-F249 VanDerWaalsContact CA-O 3.25Å; V193-F249 WeakPolarHBondContact CA-O 3.17Å; V193-A250 HydrophobicContact CG2-CB 4.21Å; V193-L281 HydrophobicContact CB-CD2 4.45Å; V193-L281 HydrophobicContact CG1-CD2 3.55Å; V193-L281 HydrophobicContact CG2-CD2 3.98Å
194K98.7Very high96.7Very high95 Ų9541.8 Ų41.841%0.41326%0.259SS..EExtended strand (participates in β ladder)trans-115158.1172.9-76.8175172148.60110.5E192 S228 L248 F249E192-K194 IonicContact OE1-NZ 3.5Å; E192-K194 PolarHBondContact OE1-NZ 3.02Å; E192-K194 WeakPolarHBondContact OE2-CE 3.44Å; E192-K194 IonicContact OE2-NZ 3.62Å; E192-K194 PolarHBondContact OE2-NZ 3.19Å; K194-S228 CarbonylContact C-O 3.55Å; K194-S228 WeakPolarHBondContact CA-O 3.4Å; K194-L248 CarbonylContact O-C 3.55Å; K194-L248 WeakPolarHBondContact O-CA 3.47Å; K194-F249 PolarHBondContact N-O 2.88Å; K194-F249 PolarHBondContact O-N 3.32Å
195G98.6Very high96.7Very high3 Ų346.6 Ų46.63%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-163.5167.1175.700000113.6S228 V229 N230 V247G195-S228 PolarHBondContact N-O 3.06Å; G195-V229 WeakPolarHBondContact O-CA 3.41Å; G195-N230 PolarHBondContact O-N 3.17Å; G195-V247 CarbonylContact C-O 3.25Å; G195-V247 WeakPolarHBondContact CA-O 3.21Å
196I98.5Very high96.9Very high44 Ų4449.9 Ų49.923%0.22629%0.287CS..EExtended strand (participates in β ladder)trans-135.6116.8177.2-53.8172.5000107.2N230 V232 I246 V247I196-N230 CarbonylContact C-O 3.52Å; I196-N230 WeakPolarHBondContact CA-O 3.42Å; I196-V232 HydrophobicContact CG2-CB 4.37Å; I196-V232 HydrophobicContact CG2-CG2 3.79Å; I196-I246 CarbonylContact O-C 3.6Å; I196-I246 VanDerWaalsContact O-CA 3.3Å; I196-I246 WeakPolarHBondContact O-CA 3.39Å; I196-V247 HydrophobicContact CB-CG1 4.11Å; I196-V247 PolarHBondContact N-O 2.76Å; I196-V247 PolarHBondContact O-N 3.28Å
197A98.6Very high97.1Very high0 Ų048.5 Ų48.50%027%0.274CS..EExtended strand (participates in β ladder)trans-94.3136.2160.300000108.6A208 L211 A212 N230 V231 V232 G245 I246A197-A208 HydrophobicContact CB-CB 4.1Å; A197-L211 HydrophobicContact CB-CD2 4.48Å; A197-A212 HydrophobicContact CB-CB 3.86Å; A197-N230 PolarHBondContact N-O 3.29Å; A197-V231 HydrophobicContact CB-CG2 4.47Å; A197-V231 CarbonylContact O-C 3.46Å; A197-V231 WeakPolarHBondContact O-CA 3.08Å; A197-V232 PolarHBondContact O-N 3.36Å; A197-G245 CarbonylContact C-O 3.49Å; A197-G245 VanDerWaalsContact CA-O 3.3Å; A197-G245 WeakPolarHBondContact CA-O 3.46Å; A197-I246 HydrophobicContact CB-CB 4.38Å; A197-I246 HydrophobicContact CB-CD1 4.35Å; A197-I246 HydrophobicContact CB-CG1 4.31Å
198W98.1Very high97.3Very high4 Ų448.3 Ų48.32%0.01527%0.273CS..EExtended strand (participates in β ladder)trans-127.4152.1-178.866.387.4000112.1N127 Q133 Y161 V232 L244 G245 V247 I263N127-W198 WeakPolarHBondContact ND2-CZ2 3.23Å; Q133-W198 HydrophobicContact CG-CH2 4.21Å; Y161-W198 AromaticContact CD1-NE1 3.93Å; Y161-W198 AromaticContact CE1-CD1 3.46Å; Y161-W198 VanDerWaalsContact CE1-CD1 3.46Å; Y161-W198 HydrophobicContact CE1-CG 4.48Å; Y161-W198 AromaticContact CE1-NE1 3.23Å; Y161-W198 AromaticContact CZ-CD1 3.73Å; W198-V232 CarbonylContact C-O 3.46Å; W198-V232 VanDerWaalsContact CA-O 3.25Å; W198-V232 WeakPolarHBondContact CA-O 3.25Å; W198-V232 HydrophobicContact CB-CB 4.41Å; W198-L244 WeakPolarHBondContact O-CA 3.12Å; W198-L244 WeakPolarHBondContact O-CD1 3.46Å; W198-G245 VanDerWaalsContact CZ2-CA 3.48Å; W198-G245 PolarHBondContact N-O 2.8Å; W198-G245 PolarHBondContact O-N 3.43Å; W198-V247 HydrophobicContact CZ3-CB 4.09Å; W198-V247 HydrophobicContact CZ3-CG1 3.99Å; W198-I263 HydrophobicContact CZ2-CG1 4.41Å
199V97.8Very high97.5Very high0 Ų049.3 Ų49.30%027%0.27CS..EExtended strand (participates in β ladder)trans-128.6151.3160.9-77.90000111.2I203 R205 A208 V232 Q233 E234 G243 L244V199-I203 HydrophobicContact CB-CB 4.45Å; V199-I203 HydrophobicContact CB-CG2 4.42Å; V199-I203 HydrophobicContact CG1-CB 4.24Å; V199-I203 HydrophobicContact CG1-CG2 3.7Å; V199-R205 HydrophobicContact CG2-CB 4.43Å; V199-A208 HydrophobicContact CG1-CB 3.77Å; V199-A208 HydrophobicContact CG2-CB 4.38Å; V199-V232 PolarHBondContact N-O 2.72Å; V199-Q233 HydrophobicContact CG2-CB 3.9Å; V199-Q233 HydrophobicContact CG2-CG 3.9Å; V199-Q233 WeakPolarHBondContact O-CA 3.35Å; V199-E234 PolarHBondContact O-N 2.67Å; V199-G243 CarbonylContact C-O 3.43Å; V199-G243 WeakPolarHBondContact CA-O 3.35Å; V199-L244 HydrophobicContact CG1-CB 4.48Å; V199-L244 HydrophobicContact CG1-CD1 3.59Å
200A97.5Very high97.6Very high2 Ų249.3 Ų49.32%0.01726%0.263CS..EExtended strand (participates in β ladder)trans-144.4159.3172.200000111.7Y161 E234 A239 N242 G243Y161-A200 HydrophobicContact CD2-CB 3.57Å; Y161-A200 HydrophobicContact CE2-CB 3.17Å; A200-E234 HydrophobicContact CB-CB 3.92Å; A200-E234 HydrophobicContact CB-CG 4.32Å; A200-A239 HydrophobicContact CB-CB 4.05Å; A200-N242 WeakPolarHBondContact O-CA 3.41Å; A200-G243 PolarHBondContact N-O 2.87Å; A200-G243 PolarHBondContact O-N 3.5Å
201G95.9Very high97.7Very high53 Ų5346.5 Ų46.555%0.54625%0.249SC..THydrogen-bonded Turntrans69.5-136.1177.600000112.4I203 N242G201-I203 PolarHBondContact O-N 3.32Å; G201-N242 WeakPolarHBondContact CA-OD1 3.31Å
202S95.1Very high97.7Very high94 Ų9443.5 Ų43.566%0.65723%0.231SC*.THydrogen-bonded Turntrans-82.45.6-17669.50000114.1N242S202-N242 PolarHBondContact N-OD1 2.97Å; S202-N242 PolarHBondContact OG-ND2 2.82Å; S202-N242 PolarHBondContact OG-OD1 2.91Å
203I95.3Very high97.7Very high28 Ų2845.3 Ų45.314%0.14425%0.248CC..SBendtrans-80.3126.2-176.8-57.7-175000109.9V199 G201 R207 N242 L244V199-I203 HydrophobicContact CB-CB 4.45Å; V199-I203 HydrophobicContact CB-CG2 4.42Å; V199-I203 HydrophobicContact CG1-CB 4.24Å; V199-I203 HydrophobicContact CG1-CG2 3.7Å; G201-I203 PolarHBondContact O-N 3.32Å; I203-R207 HydrophobicContact CG2-CB 4.35Å; I203-R207 HydrophobicContact CG2-CG 4.48Å; I203-N242 HydrophobicContact CD1-CB 3.98Å; I203-N242 HydrophobicContact CG1-CB 4.08Å; I203-L244 HydrophobicContact CD1-CB 3.92Å; I203-L244 HydrophobicContact CG2-CB 4.44Å; I203-L244 HydrophobicContact CG2-CD2 4.5Å
204P95.2Very high97.7Very high84 Ų8446 Ų4655%0.54525%0.253SS..  trans-63.9136.4179-22.633.4000113K206 R207P204-K206 PolarHBondContact O-N 2.98Å; P204-K206 VanDerWaalsContact O-N 3.11Å; P204-R207 PolarHBondContact O-N 3.43Å
205R97.4Very high97.7Very high109 Ų10941.5 Ų41.541%0.41123%0.233SC..Hα-helixtrans-48.2-39.5175.6-169.8-176.3172.2111.94.7114V199 R207 A208 D209 V231V199-R205 HydrophobicContact CG2-CB 4.43Å; R205-R207 PolarHBondContact O-N 3.46Å; R205-A208 PolarHBondContact O-N 2.94Å; R205-D209 IonicContact NE-OD1 3.43Å; R205-D209 PolarHBondContact O-N 3.45Å; R205-V231 HydrophobicContact CG-CG1 4.23Å; R205-V231 PolarHBondContact NH2-O 3.36Å
206K97.7Very high97.7Very high149 Ų14942.1 Ų42.165%0.64824%0.237SC*.Hα-helixtrans-49.7-30.2178.4-170.7175.7-178.4179.50113.2P204 D209 L210P204-K206 PolarHBondContact O-N 2.98Å; P204-K206 VanDerWaalsContact O-N 3.11Å; K206-D209 WeakPolarHBondContact CA-OD2 3.46Å; K206-D209 PolarHBondContact N-OD2 2.96Å; K206-D209 PolarHBondContact O-N 2.85Å; K206-L210 VanDerWaalsContact O-CG 3.3Å; K206-L210 WeakPolarHBondContact O-CG 3.48Å; K206-L210 PolarHBondContact O-N 2.86Å
207R97.6Very high97.7Very high71 Ų7146.8 Ų46.827%0.26826%0.256SS..Hα-helixtrans-69-41.6176.7-65.5-167.671.7-170.6-1112.6I203 P204 R205 L211 L244 D268I203-R207 HydrophobicContact CG2-CB 4.35Å; I203-R207 HydrophobicContact CG2-CG 4.48Å; P204-R207 PolarHBondContact O-N 3.43Å; R205-R207 PolarHBondContact O-N 3.46Å; R207-L211 WeakPolarHBondContact O-CB 3.34Å; R207-L211 PolarHBondContact O-N 3Å; R207-L211 VanDerWaalsContact O-N 3.08Å; R207-L244 HydrophobicContact CB-CD1 4.2Å; R207-L244 HydrophobicContact CB-CD2 3.88Å; R207-D268 PolarHBondContact NH2-O 3.29Å
208A98.3Very high97.7Very high0 Ų050.2 Ų50.20%027%0.269CS..Hα-helixtrans-70.2-33.8172.300000112A197 V199 R205 L211 A212 V231 L244A197-A208 HydrophobicContact CB-CB 4.1Å; V199-A208 HydrophobicContact CG1-CB 3.77Å; V199-A208 HydrophobicContact CG2-CB 4.38Å; R205-A208 PolarHBondContact O-N 2.94Å; A208-L211 PolarHBondContact O-N 3.25Å; A208-A212 WeakPolarHBondContact O-CB 3.49Å; A208-A212 PolarHBondContact O-N 3.15Å; A208-V231 HydrophobicContact CB-CG1 3.72Å; A208-L244 HydrophobicContact CB-CD1 4.16Å
209D98.6Very high97.7Very high56 Ų5650 Ų5030%0.29927%0.268SS..Hα-helixtrans-61.5-44.3174.4-61.3-47.7000111.5R205 K206 S213 V231R205-D209 IonicContact NE-OD1 3.43Å; R205-D209 PolarHBondContact O-N 3.45Å; K206-D209 WeakPolarHBondContact CA-OD2 3.46Å; K206-D209 PolarHBondContact N-OD2 2.96Å; K206-D209 PolarHBondContact O-N 2.85Å; D209-S213 WeakPolarHBondContact O-CB 3.35Å; D209-S213 PolarHBondContact O-N 3.08Å; D209-S213 PolarHBondContact O-OG 2.86Å; D209-V231 WeakPolarHBondContact OD1-CG1 3.29Å
210L98.4Very high97.8Very high77 Ų7758.6 Ų58.640%0.40330%0.3SS..Hα-helixtrans-63-43.7174.9-73.9171.8000111.8K206 S213 S214 A270 V271K206-L210 VanDerWaalsContact O-CG 3.3Å; K206-L210 WeakPolarHBondContact O-CG 3.48Å; K206-L210 PolarHBondContact O-N 2.86Å; L210-S213 PolarHBondContact O-N 2.78Å; L210-S214 VanDerWaalsContact O-CB 3.3Å; L210-S214 WeakPolarHBondContact O-CB 3.48Å; L210-S214 PolarHBondContact O-N 3.18Å; L210-A270 HydrophobicContact CB-CB 4.17Å; L210-V271 HydrophobicContact CB-CG2 4.44Å; L210-V271 HydrophobicContact CD2-CG2 4.38Å
211L98.3Very high97.8Very high0 Ų064.2 Ų64.20%033%0.326CS..Hα-helixtrans-61.3-50.6178.8-174.359.4000111.7A197 R207 A208 S214 A215 L244 I246 L264 A270 I273A197-L211 HydrophobicContact CB-CD2 4.48Å; R207-L211 WeakPolarHBondContact O-CB 3.34Å; R207-L211 PolarHBondContact O-N 3Å; R207-L211 VanDerWaalsContact O-N 3.08Å; A208-L211 PolarHBondContact O-N 3.25Å; L211-S214 PolarHBondContact O-N 2.97Å; L211-A215 WeakPolarHBondContact O-CB 3.45Å; L211-A215 PolarHBondContact O-N 3.45Å; L211-L244 HydrophobicContact CD2-CD1 4.17Å; L211-I246 HydrophobicContact CD1-CG2 4.07Å; L211-I246 HydrophobicContact CD2-CB 3.68Å; L211-I246 HydrophobicContact CD2-CG2 3.82Å; L211-I246 HydrophobicContact CG-CB 3.97Å; L211-I246 HydrophobicContact CG-CD1 4.18Å; L211-I246 HydrophobicContact CG-CG2 3.98Å; L211-L264 HydrophobicContact CD1-CD1 4.17Å; L211-L264 HydrophobicContact CD1-CD2 4.32Å; L211-L264 HydrophobicContact CD2-CD1 3.58Å; L211-L264 HydrophobicContact CD2-CD2 4.32Å; L211-A270 HydrophobicContact CB-CB 4.25Å; L211-A270 VanDerWaalsContact CD1-O 3.3Å; L211-A270 WeakPolarHBondContact CD1-O 3.22Å; L211-I273 HydrophobicContact CD1-CB 4.26Å; L211-I273 HydrophobicContact CD1-CG2 4.01Å
212A98.8Very high97.9Very high4 Ų463.3 Ų63.33%0.03331%0.308CS..Hα-helixtrans-64.3-41.2178.400000112.2A197 A208 S216 V229 V231A197-A212 HydrophobicContact CB-CB 3.86Å; A208-A212 WeakPolarHBondContact O-CB 3.49Å; A208-A212 PolarHBondContact O-N 3.15Å; A212-S216 WeakPolarHBondContact O-CB 3.17Å; A212-S216 PolarHBondContact O-N 2.75Å; A212-S216 PolarHBondContact O-OG 2.85Å; A212-V229 HydrophobicContact CB-CB 4.27Å; A212-V229 HydrophobicContact CB-CG1 3.7Å; A212-V231 HydrophobicContact CB-CG2 3.58Å
213S98.6Very high97.9Very high77 Ų7759.3 Ų59.354%0.53828%0.28SS..Hα-helixtrans-66.9-42.4179.3-61.60000111.6D209 L210 K217D209-S213 WeakPolarHBondContact O-CB 3.35Å; D209-S213 PolarHBondContact O-N 3.08Å; D209-S213 PolarHBondContact O-OG 2.86Å; L210-S213 PolarHBondContact O-N 2.78Å; S213-K217 VanDerWaalsContact O-CB 3.27Å; S213-K217 WeakPolarHBondContact O-CB 3.32Å; S213-K217 PolarHBondContact O-N 3.07Å
214S98.7Very high97.8Very high17 Ų1762.4 Ų62.412%0.11932%0.318CS..Hα-helixtrans-64-49.9176.7-175.50000111.4L210 L211 S216 K217 R218 V271 S275L210-S214 VanDerWaalsContact O-CB 3.3Å; L210-S214 WeakPolarHBondContact O-CB 3.48Å; L210-S214 PolarHBondContact O-N 3.18Å; L211-S214 PolarHBondContact O-N 2.97Å; S214-S216 PolarHBondContact O-N 2.97Å; S214-K217 PolarHBondContact O-N 2.92Å; S214-R218 PolarHBondContact O-N 3.13Å; S214-V271 WeakPolarHBondContact CB-O 3.41Å; S214-V271 PolarHBondContact OG-O 2.96Å; S214-S275 PolarHBondContact OG-N 3.26Å
215A98.8Very high97.9Very high0 Ų059.2 Ų59.20%030%0.298CS..Hα-helixtrans-58.1-50176.200000111.4L211 K217 R218 L219 I246 G274L211-A215 WeakPolarHBondContact O-CB 3.45Å; L211-A215 PolarHBondContact O-N 3.45Å; A215-K217 VanDerWaalsContact C-N 3.34Å; A215-K217 PolarHBondContact O-N 3.12Å; A215-R218 PolarHBondContact O-N 3.03Å; A215-L219 WeakPolarHBondContact O-CB 3.34Å; A215-L219 WeakPolarHBondContact O-CD1 3.37Å; A215-L219 WeakPolarHBondContact O-CG 3.41Å; A215-L219 PolarHBondContact O-N 3.2Å; A215-I246 HydrophobicContact CB-CD1 3.68Å; A215-G274 VanDerWaalsContact CA-O 3.27Å; A215-G274 WeakPolarHBondContact CA-O 3.45Å; A215-G274 WeakPolarHBondContact CB-O 3.5Å
216S98.7Very high97.9Very high15 Ų1558.4 Ų58.411%0.10531%0.306CS..Hα-helixtrans-59.4-42.7179-62.30000112.6A212 S214 R220 V229A212-S216 WeakPolarHBondContact O-CB 3.17Å; A212-S216 PolarHBondContact O-N 2.75Å; A212-S216 PolarHBondContact O-OG 2.85Å; S214-S216 PolarHBondContact O-N 2.97Å; S216-R220 VanDerWaalsContact O-CG 3.29Å; S216-R220 WeakPolarHBondContact O-CG 3.35Å; S216-R220 PolarHBondContact O-N 3.2Å; S216-V229 WeakPolarHBondContact OG-CB 3.35Å; S216-V229 WeakPolarHBondContact OG-CG2 3.27Å
217K98.6Very high98Very high142 Ų14252.4 Ų52.462%0.61728%0.281SS*.Hα-helixtrans-62.4-47.5177.6-179.4-177.9177.4-176.30110.6S213 S214 A215 R220 Q221S213-K217 VanDerWaalsContact O-CB 3.27Å; S213-K217 WeakPolarHBondContact O-CB 3.32Å; S213-K217 PolarHBondContact O-N 3.07Å; S214-K217 PolarHBondContact O-N 2.92Å; A215-K217 VanDerWaalsContact C-N 3.34Å; A215-K217 PolarHBondContact O-N 3.12Å; K217-R220 PolarHBondContact O-N 3.13Å; K217-Q221 WeakPolarHBondContact O-CG 3.1Å; K217-Q221 PolarHBondContact O-N 3.3Å
218R98.7Very high98Very high72 Ų7251.7 Ų51.727%0.27229%0.287SS..Hα-helixtrans-65.6-45.7-179.8-174.958.9171.4151.70.7111.5S214 A215 R220 Q221 I222 S275 A278 E279S214-R218 PolarHBondContact O-N 3.13Å; A215-R218 PolarHBondContact O-N 3.03Å; R218-R220 VanDerWaalsContact C-N 3.34Å; R218-R220 PolarHBondContact O-N 3.2Å; R218-Q221 WeakPolarHBondContact O-CB 3.14Å; R218-Q221 PolarHBondContact O-N 3.31Å; R218-I222 HydrophobicContact CG-CD1 4.11Å; R218-I222 WeakPolarHBondContact O-CG1 3.49Å; R218-I222 PolarHBondContact O-N 3.17Å; R218-I222 VanDerWaalsContact O-N 3.17Å; R218-S275 WeakPolarHBondContact CG-OG 3.43Å; R218-A278 HydrophobicContact CB-CB 3.74Å; R218-A278 HydrophobicContact CG-CB 3.73Å; R218-E279 HydrophobicContact CG-CG 4.32Å; R218-E279 IonicContact CZ-OE1 3.17Å; R218-E279 IonicContact NE-OE1 2.79Å; R218-E279 PolarHBondContact NE-OE1 3.19Å; R218-E279 IonicContact NH2-OE1 2.73Å; R218-E279 PolarHBondContact NH2-OE1 3.36Å
219L98.6Very high98Very high0 Ų052.7 Ų52.70%029%0.293CS..Hα-helixtrans-55.4-45.4175.5-71.9166.3000112.1V193 A215 Q221 I222 M223 I227 V229 L248 A278 L281V193-L219 HydrophobicContact CG1-CD1 3.92Å; V193-L219 HydrophobicContact CG1-CD2 4.38Å; A215-L219 WeakPolarHBondContact O-CB 3.34Å; A215-L219 WeakPolarHBondContact O-CD1 3.37Å; A215-L219 WeakPolarHBondContact O-CG 3.41Å; A215-L219 PolarHBondContact O-N 3.2Å; L219-Q221 PolarHBondContact O-N 3.42Å; L219-I222 PolarHBondContact O-N 2.78Å; L219-I222 VanDerWaalsContact O-N 3.13Å; L219-M223 HydrophobicContact CD2-CG 4.15Å; L219-M223 HydrophobicContact CD2-SD 3.42Å; L219-M223 WeakPolarHBondContact CD2-SD 3.28Å; L219-M223 WeakPolarHBondContact O-CA 3.45Å; L219-M223 WeakPolarHBondContact O-CB 3.23Å; L219-M223 PolarHBondContact O-N 3.47Å; L219-I227 HydrophobicContact CB-CD1 3.94Å; L219-I227 HydrophobicContact CB-CG1 4.03Å; L219-I227 HydrophobicContact CB-CG2 3.87Å; L219-I227 HydrophobicContact CD1-CG2 3.66Å; L219-I227 HydrophobicContact CG-CG2 4.44Å; L219-V229 HydrophobicContact CD1-CG2 4.38Å; L219-L248 HydrophobicContact CD1-CD1 3.95Å; L219-L248 HydrophobicContact CD1-CD2 4.3Å; L219-L248 HydrophobicContact CD2-CD1 4.33Å; L219-A278 HydrophobicContact CD2-CB 3.8Å; L219-A278 HydrophobicContact CG-CB 3.65Å; L219-L281 HydrophobicContact CD2-CD2 3.96Å
220R98.3Very high98Very high180 Ų18054.8 Ų54.868%0.67930%0.304SS*.Hα-helixtrans-62.6-24.7177.2-72.1177.7-156.6-1585.2113.9S216 K217 R218 I227S216-R220 VanDerWaalsContact O-CG 3.29Å; S216-R220 WeakPolarHBondContact O-CG 3.35Å; S216-R220 PolarHBondContact O-N 3.2Å; K217-R220 PolarHBondContact O-N 3.13Å; R218-R220 VanDerWaalsContact C-N 3.34Å; R218-R220 PolarHBondContact O-N 3.2Å; R220-I227 HydrophobicContact CG-CB 4.27Å; R220-I227 HydrophobicContact CG-CG1 3.92Å
221Q98.1Very high98Very high121 Ų12152.6 Ų52.657%0.56529%0.294SS*.Hα-helixtrans-80.9-31.4176.5-66.4170.7-19.100112.2K217 R218 L219K217-Q221 WeakPolarHBondContact O-CG 3.1Å; K217-Q221 PolarHBondContact O-N 3.3Å; R218-Q221 WeakPolarHBondContact O-CB 3.14Å; R218-Q221 PolarHBondContact O-N 3.31Å; L219-Q221 PolarHBondContact O-N 3.42Å
222I97.4Very high98Very high33 Ų3355 Ų5517%0.16931%0.309CS..Hα-helixtrans-113.8-13.4-167.774.5-177.5000113.8R218 L219 A278 E279 Q282R218-I222 HydrophobicContact CG-CD1 4.11Å; R218-I222 WeakPolarHBondContact O-CG1 3.49Å; R218-I222 PolarHBondContact O-N 3.17Å; R218-I222 VanDerWaalsContact O-N 3.17Å; L219-I222 PolarHBondContact O-N 2.78Å; L219-I222 VanDerWaalsContact O-N 3.13Å; I222-A278 HydrophobicContact CD1-CB 4.47Å; I222-E279 HydrophobicContact CD1-CG 4.18Å; I222-Q282 HydrophobicContact CD1-CB 3.92Å; I222-Q282 HydrophobicContact CD1-CG 4.46Å; I222-Q282 HydrophobicContact CG1-CB 4.43Å; I222-Q282 PolarHBondContact O-NE2 3.43Å
223M95.2Very high98Very high11 Ų1159.9 Ų59.95%0.05433%0.331CS..  trans-123.3126.2-179.8-54-162.869.500110.1L190 V193 L219 C225 I227 L281 T285L190-M223 HydrophobicContact CD1-CE 3.35Å; L190-M223 HydrophobicContact CD2-CE 4.08Å; L190-M223 HydrophobicContact CG-CE 4.33Å; V193-M223 HydrophobicContact CG2-CE 3.76Å; V193-M223 HydrophobicContact CG2-SD 3.77Å; L219-M223 HydrophobicContact CD2-CG 4.15Å; L219-M223 HydrophobicContact CD2-SD 3.42Å; L219-M223 WeakPolarHBondContact CD2-SD 3.28Å; L219-M223 WeakPolarHBondContact O-CA 3.45Å; L219-M223 WeakPolarHBondContact O-CB 3.23Å; L219-M223 PolarHBondContact O-N 3.47Å; M223-C225 VanDerWaalsContact C-N 3.25Å; M223-C225 PolarHBondContact O-N 3.26Å; M223-I227 HydrophobicContact CB-CD1 4.27Å; M223-L281 HydrophobicContact SD-CD2 4.06Å; M223-L281 HydrophobicContact SD-CG 4.47Å; M223-T285 HydrophobicContact CE-CG2 4.41Å
224G93.8Very high97.9Very high93 Ų9357.6 Ų57.696%0.95931%0.312SS*.SBendtrans-84.733.2-177.300000114.9
225C97.1Very high97.7Very high16 Ų1659 Ų5911%0.10832%0.321CS..SBendtrans-134.5164.5-177.465.90000111.7L190 M223 I227L190-C225 HydrophobicContact CB-CB 4.25Å; M223-C225 VanDerWaalsContact C-N 3.25Å; M223-C225 PolarHBondContact O-N 3.26Å; C225-I227 VanDerWaalsContact O-CD1 3.29Å; C225-I227 WeakPolarHBondContact O-CD1 3.17Å; C225-I227 WeakPolarHBondContact O-CG1 3.33Å; C225-I227 PolarHBondContact O-N 3.1Å
226P98.3Very high97.4Very high92 Ų9264.8 Ų64.860%0.59736%0.359SS*.  trans-55.6134.8175-26.235.1000113.2V191 V193V191-P226 WeakPolarHBondContact O-CD 3.38Å; V193-P226 PolarHBondContact N-O 3Å
227I98.6Very high97.2Very high24 Ų2467.6 Ų67.612%0.12338%0.383CS..EExtended strand (participates in β ladder)trans-121.5127.7-177.2-47.9-58.6000110.8V193 L219 R220 M223 C225 V229V193-I227 HydrophobicContact CB-CD1 3.62Å; V193-I227 HydrophobicContact CG1-CD1 4.44Å; V193-I227 HydrophobicContact CG2-CD1 3.88Å; V193-I227 WeakPolarHBondContact O-CA 3.28Å; L219-I227 HydrophobicContact CB-CD1 3.94Å; L219-I227 HydrophobicContact CB-CG1 4.03Å; L219-I227 HydrophobicContact CB-CG2 3.87Å; L219-I227 HydrophobicContact CD1-CG2 3.66Å; L219-I227 HydrophobicContact CG-CG2 4.44Å; R220-I227 HydrophobicContact CG-CB 4.27Å; R220-I227 HydrophobicContact CG-CG1 3.92Å; M223-I227 HydrophobicContact CB-CD1 4.27Å; C225-I227 VanDerWaalsContact O-CD1 3.29Å; C225-I227 WeakPolarHBondContact O-CD1 3.17Å; C225-I227 WeakPolarHBondContact O-CG1 3.33Å; C225-I227 PolarHBondContact O-N 3.1Å; I227-V229 HydrophobicContact CG2-CG2 4.46Å
228S98.4Very high97.1Very high56 Ų5665 Ų6539%0.39238%0.376SS..EExtended strand (participates in β ladder)trans-139.1116.5174.1-176.70000111.7V193 K194 G195V193-S228 PolarHBondContact O-N 3.48Å; K194-S228 CarbonylContact C-O 3.55Å; K194-S228 WeakPolarHBondContact CA-O 3.4Å; G195-S228 PolarHBondContact N-O 3.06Å
229V98.7Very high97Very high20 Ų2062.1 Ų62.112%0.12137%0.368CS..EExtended strand (participates in β ladder)trans-120.9113.4175.9-174.60000109G195 A212 S216 L219 I227 I246 L248G195-V229 WeakPolarHBondContact O-CA 3.41Å; A212-V229 HydrophobicContact CB-CB 4.27Å; A212-V229 HydrophobicContact CB-CG1 3.7Å; S216-V229 WeakPolarHBondContact OG-CB 3.35Å; S216-V229 WeakPolarHBondContact OG-CG2 3.27Å; L219-V229 HydrophobicContact CD1-CG2 4.38Å; I227-V229 HydrophobicContact CG2-CG2 4.46Å; V229-I246 HydrophobicContact CG1-CD1 4.05Å; V229-L248 HydrophobicContact CG1-CD2 4.4Å; V229-L248 HydrophobicContact CG2-CD2 3.84Å
230N98.3Very high96.9Very high100 Ų10064 Ų6454%0.53538%0.379SS..EExtended strand (participates in β ladder)trans-85.1151.2180-69.1-42000111.3G195 I196 A197G195-N230 PolarHBondContact O-N 3.17Å; I196-N230 CarbonylContact C-O 3.52Å; I196-N230 WeakPolarHBondContact CA-O 3.42Å; A197-N230 PolarHBondContact N-O 3.29Å
231V98.6Very high96.7Very high31 Ų3155.9 Ų55.919%0.18835%0.351CS..EExtended strand (participates in β ladder)trans-110.9123174.8177.10000110.2A197 R205 A208 D209 A212A197-V231 HydrophobicContact CB-CG2 4.47Å; A197-V231 CarbonylContact O-C 3.46Å; A197-V231 WeakPolarHBondContact O-CA 3.08Å; R205-V231 HydrophobicContact CG-CG1 4.23Å; R205-V231 PolarHBondContact NH2-O 3.36Å; A208-V231 HydrophobicContact CB-CG1 3.72Å; D209-V231 WeakPolarHBondContact OD1-CG1 3.29Å; A212-V231 HydrophobicContact CB-CG2 3.58Å
232V97.8Very high96.6Very high52 Ų5253.6 Ų53.632%0.31534%0.343SS..EExtended strand (participates in β ladder)trans-111.3134.3177.9178.30000109.9I196 A197 W198 V199I196-V232 HydrophobicContact CG2-CB 4.37Å; I196-V232 HydrophobicContact CG2-CG2 3.79Å; A197-V232 PolarHBondContact O-N 3.36Å; W198-V232 CarbonylContact C-O 3.46Å; W198-V232 VanDerWaalsContact CA-O 3.25Å; W198-V232 WeakPolarHBondContact CA-O 3.25Å; W198-V232 HydrophobicContact CB-CB 4.41Å; V199-V232 PolarHBondContact N-O 2.72Å
233Q97.5Very high96.5Very high105 Ų10552.2 Ų52.249%0.49134%0.338SS..EExtended strand (participates in β ladder)trans-115.5111.7166.7179.3174.8-4.800108.4V199V199-Q233 HydrophobicContact CG2-CB 3.9Å; V199-Q233 HydrophobicContact CG2-CG 3.9Å; V199-Q233 WeakPolarHBondContact O-CA 3.35Å
234E97.2Very high96.6Very high30 Ų3051.8 Ų51.814%0.1434%0.335CS..  trans-70.3137.2-179.8-65.8-62.5166.100111.3R159 Y161 V199 A200 A239R159-E234 WeakPolarHBondContact CD-OE1 3.32Å; R159-E234 IonicContact CZ-OE1 3.98Å; R159-E234 IonicContact NE-OE1 3.76Å; R159-E234 PolarHBondContact NE-OE1 2.74Å; Y161-E234 HydrophobicContact CE2-CG 4.39Å; Y161-E234 WeakPolarHBondContact OH-CG 3.49Å; V199-E234 PolarHBondContact O-N 2.67Å; A200-E234 HydrophobicContact CB-CB 3.92Å; A200-E234 HydrophobicContact CB-CG 4.32Å; E234-A239 HydrophobicContact CB-CB 3.56Å; E234-A239 HydrophobicContact CG-CB 4.16Å
235S95.4Very high96.8Very high45 Ų4547.4 Ų47.432%0.31529%0.29SS..  trans-76.1155.6175.176.70000110.9A237 N238 A239S235-A237 PolarHBondContact O-N 3.44Å; S235-A237 VanDerWaalsContact O-N 3.15Å; S235-A237 PolarHBondContact OG-N 3.34Å; S235-N238 PolarHBondContact O-N 3.11Å; S235-N238 WeakPolarHBondContact OG-CB 3.44Å; S235-N238 VanDerWaalsContact OG-CG 3.32Å; S235-N238 PolarHBondContact OG-N 3.35Å; S235-N238 PolarHBondContact OG-ND2 3.39Å; S235-A239 PolarHBondContact O-N 3.27Å; S235-A239 VanDerWaalsContact O-N 3.08Å
236P92.1Very high96.8Very high123 Ų12346.6 Ų46.680%0.79929%0.285SS*.THydrogen-bonded Turntrans-58-25.9173.4-25.835.2000114.2
237A95.2Very high96.9Very high74 Ų7442.2 Ų42.261%0.61226%0.256SS*.THydrogen-bonded Turntrans-71.9-33.9175.600000112.1K158 S235K158-A237 VanDerWaalsContact CE-O 3.31Å; K158-A237 WeakPolarHBondContact CE-O 3.33Å; S235-A237 PolarHBondContact O-N 3.44Å; S235-A237 VanDerWaalsContact O-N 3.15Å; S235-A237 PolarHBondContact OG-N 3.34Å
238N95.9Very high96.9Very high86 Ų8641.1 Ų41.146%0.4625%0.25SS..THydrogen-bonded Turntrans-98.4-11.7-171.5-65.9-14.4000114K158 R159 S235K158-N238 CarbonylContact C-O 3.59Å; K158-N238 WeakPolarHBondContact CA-O 3.25Å; K158-N238 VanDerWaalsContact CG-O 3.32Å; K158-N238 WeakPolarHBondContact CG-O 3.23Å; R159-N238 PolarHBondContact N-O 2.78Å; S235-N238 PolarHBondContact O-N 3.11Å; S235-N238 WeakPolarHBondContact OG-CB 3.44Å; S235-N238 VanDerWaalsContact OG-CG 3.32Å; S235-N238 PolarHBondContact OG-N 3.35Å; S235-N238 PolarHBondContact OG-ND2 3.39Å
239A96.9Very high96.9Very high12 Ų1239.2 Ų39.210%0.09924%0.235CC..EExtended strand (participates in β ladder)trans-135.7151.7-177.400000114.2R159 Y161 A200 E234 S235R159-A239 HydrophobicContact CB-CB 4.25Å; R159-A239 CarbonylContact O-C 3.55Å; R159-A239 VanDerWaalsContact O-CA 3.32Å; R159-A239 WeakPolarHBondContact O-CA 3.26Å; Y161-A239 HydrophobicContact CD2-CB 4.38Å; Y161-A239 HydrophobicContact CE2-CB 3.82Å; A200-A239 HydrophobicContact CB-CB 4.05Å; E234-A239 HydrophobicContact CB-CB 3.56Å; E234-A239 HydrophobicContact CG-CB 4.16Å; S235-A239 PolarHBondContact O-N 3.27Å; S235-A239 VanDerWaalsContact O-N 3.08Å
240V95.9Very high96.9Very high39 Ų3938.3 Ų38.324%0.23623%0.229CC..EExtended strand (participates in β ladder)trans-118.9130.5170.6-177.70000110.1K158 R159 Y161 R164 G165K158-V240 HydrophobicContact CD-CG2 3.81Å; K158-V240 VanDerWaalsContact CE-CG2 3.44Å; K158-V240 HydrophobicContact CG-CG2 4.4Å; R159-V240 PolarHBondContact O-N 2.96Å; Y161-V240 PolarHBondContact N-O 2.82Å; R164-V240 HydrophobicContact CB-CG1 4.45Å; G165-V240 WeakPolarHBondContact O-CB 3.48Å
241G94.4Very high96.9Very high10 Ų1038.6 Ų38.610%0.10322%0.223CC..SBendtrans83.9176.9178.500000114
242N95Very high96.8Very high73 Ų7337.4 Ų37.439%0.3922%0.216SC..  trans-88.3136174.9-72-6.1000108.6Y161 A200 G201 S202 I203Y161-N242 VanDerWaalsContact CB-O 3.28Å; Y161-N242 WeakPolarHBondContact CB-O 3.17Å; A200-N242 WeakPolarHBondContact O-CA 3.41Å; G201-N242 WeakPolarHBondContact CA-OD1 3.31Å; S202-N242 PolarHBondContact N-OD1 2.97Å; S202-N242 PolarHBondContact OG-ND2 2.82Å; S202-N242 PolarHBondContact OG-OD1 2.91Å; I203-N242 HydrophobicContact CD1-CB 3.98Å; I203-N242 HydrophobicContact CG1-CB 4.08Å
243G95.5Very high96.8Very high5 Ų538.3 Ų38.35%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-145.4138.2177.900000110.5V199 A200V199-G243 CarbonylContact C-O 3.43Å; V199-G243 WeakPolarHBondContact CA-O 3.35Å; A200-G243 PolarHBondContact N-O 2.87Å; A200-G243 PolarHBondContact O-N 3.5Å
244L97.5Very high96.8Very high2 Ų235.5 Ų35.51%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-142.1130.8169.6171.562.6000107W198 V199 I203 R207 A208 L211 L264W198-L244 WeakPolarHBondContact O-CA 3.12Å; W198-L244 WeakPolarHBondContact O-CD1 3.46Å; V199-L244 HydrophobicContact CG1-CB 4.48Å; V199-L244 HydrophobicContact CG1-CD1 3.59Å; I203-L244 HydrophobicContact CD1-CB 3.92Å; I203-L244 HydrophobicContact CG2-CB 4.44Å; I203-L244 HydrophobicContact CG2-CD2 4.5Å; R207-L244 HydrophobicContact CB-CD1 4.2Å; R207-L244 HydrophobicContact CB-CD2 3.88Å; A208-L244 HydrophobicContact CB-CD1 4.16Å; L211-L244 HydrophobicContact CD2-CD1 4.17Å; L244-L264 HydrophobicContact CB-CB 4.29Å; L244-L264 HydrophobicContact CD2-CB 3.84Å; L244-L264 HydrophobicContact CD2-CD2 3.73Å; L244-L264 HydrophobicContact CD2-CG 4.32Å; L244-L264 HydrophobicContact CG-CB 3.86Å; L244-L264 HydrophobicContact CG-CD1 4.32Å; L244-L264 HydrophobicContact CG-CD2 4.07Å; L244-L264 HydrophobicContact CG-CG 4.31Å; L244-L264 PolarHBondContact O-N 2.82Å
245G97.9Very high96.7Very high0 Ų035.4 Ų35.40%022%0.223CC..EExtended strand (participates in β ladder)trans-174.2178178.600000112.4A197 W198 R262A197-G245 CarbonylContact C-O 3.49Å; A197-G245 VanDerWaalsContact CA-O 3.3Å; A197-G245 WeakPolarHBondContact CA-O 3.46Å; W198-G245 VanDerWaalsContact CZ2-CA 3.48Å; W198-G245 PolarHBondContact N-O 2.8Å; W198-G245 PolarHBondContact O-N 3.43Å; G245-R262 CarbonylContact C-O 3.41Å; G245-R262 WeakPolarHBondContact CA-O 3.4Å
246I98.6Very high96.8Very high0 Ų034 Ų340%021%0.211CC..EExtended strand (participates in β ladder)trans-143.3144.7177.4-174.1165.4000109.7I196 A197 L211 A215 V229 L248 D261 R262 V277I196-I246 CarbonylContact O-C 3.6Å; I196-I246 VanDerWaalsContact O-CA 3.3Å; I196-I246 WeakPolarHBondContact O-CA 3.39Å; A197-I246 HydrophobicContact CB-CB 4.38Å; A197-I246 HydrophobicContact CB-CD1 4.35Å; A197-I246 HydrophobicContact CB-CG1 4.31Å; L211-I246 HydrophobicContact CD1-CG2 4.07Å; L211-I246 HydrophobicContact CD2-CB 3.68Å; L211-I246 HydrophobicContact CD2-CG2 3.82Å; L211-I246 HydrophobicContact CG-CB 3.97Å; L211-I246 HydrophobicContact CG-CD1 4.18Å; L211-I246 HydrophobicContact CG-CG2 3.98Å; A215-I246 HydrophobicContact CB-CD1 3.68Å; V229-I246 HydrophobicContact CG1-CD1 4.05Å; I246-L248 HydrophobicContact CD1-CD2 3.84Å; I246-L248 HydrophobicContact CD1-CG 4.4Å; I246-L248 HydrophobicContact CG1-CD2 3.99Å; I246-L248 HydrophobicContact CG1-CG 4.32Å; I246-D261 CarbonylContact O-C 3.51Å; I246-D261 VanDerWaalsContact O-CA 3.24Å; I246-D261 WeakPolarHBondContact O-CA 3.37Å; I246-D261 WeakPolarHBondContact O-CB 3.26Å; I246-R262 HydrophobicContact CG2-CB 4.37Å; I246-R262 PolarHBondContact N-O 2.71Å; I246-R262 PolarHBondContact O-N 2.79Å; I246-V277 HydrophobicContact CG2-CB 4.22Å; I246-V277 HydrophobicContact CG2-CG1 3.99Å; I246-V277 HydrophobicContact CG2-CG2 3.92Å
247V98.6Very high97.1Very high0 Ų028.8 Ų28.80%018%0.176CC..EExtended strand (participates in β ladder)trans-129.3136.5167.562.60000107.9D135 G195 I196 W198 F249 T260 D261D135-V247 HydrophobicContact CB-CG1 4.13Å; G195-V247 CarbonylContact C-O 3.25Å; G195-V247 WeakPolarHBondContact CA-O 3.21Å; I196-V247 HydrophobicContact CB-CG1 4.11Å; I196-V247 PolarHBondContact N-O 2.76Å; I196-V247 PolarHBondContact O-N 3.28Å; W198-V247 HydrophobicContact CZ3-CB 4.09Å; W198-V247 HydrophobicContact CZ3-CG1 3.99Å; V247-F249 HydrophobicContact CB-CZ 4.16Å; V247-F249 HydrophobicContact CG1-CE1 4.49Å; V247-F249 HydrophobicContact CG1-CE2 3.91Å; V247-F249 HydrophobicContact CG1-CZ 3.64Å; V247-F249 HydrophobicContact CG2-CD1 4.21Å; V247-F249 HydrophobicContact CG2-CE1 3.37Å; V247-F249 HydrophobicContact CG2-CE2 4.2Å; V247-F249 HydrophobicContact CG2-CZ 3.38Å; V247-T260 WeakPolarHBondContact CA-O 3.38Å; V247-D261 HydrophobicContact CB-CB 4.03Å; V247-D261 HydrophobicContact CG2-CB 4.01Å
248L98.8Very high97.2Very high0 Ų025.3 Ų25.30%015%0.148CC..EExtended strand (participates in β ladder)trans-121.9148.6177-56.8179.4000110K194 L219 V229 I246 G259 T260 V277 L281K194-L248 CarbonylContact O-C 3.55Å; K194-L248 WeakPolarHBondContact O-CA 3.47Å; L219-L248 HydrophobicContact CD1-CD1 3.95Å; L219-L248 HydrophobicContact CD1-CD2 4.3Å; L219-L248 HydrophobicContact CD2-CD1 4.33Å; V229-L248 HydrophobicContact CG1-CD2 4.4Å; V229-L248 HydrophobicContact CG2-CD2 3.84Å; I246-L248 HydrophobicContact CD1-CD2 3.84Å; I246-L248 HydrophobicContact CD1-CG 4.4Å; I246-L248 HydrophobicContact CG1-CD2 3.99Å; I246-L248 HydrophobicContact CG1-CG 4.32Å; L248-G259 VanDerWaalsContact O-CA 3.3Å; L248-G259 WeakPolarHBondContact O-CA 3.37Å; L248-T260 HydrophobicContact CB-CG2 4.17Å; L248-T260 HydrophobicContact CD1-CG2 4.43Å; L248-T260 PolarHBondContact N-O 3.29Å; L248-T260 PolarHBondContact O-N 3.06Å; L248-T260 VanDerWaalsContact O-N 3.13Å; L248-V277 HydrophobicContact CD1-CG1 3.74Å; L248-V277 HydrophobicContact CG-CG1 4Å; L248-L281 HydrophobicContact CB-CD1 4.45Å; L248-L281 HydrophobicContact CB-CD2 3.88Å; L248-L281 HydrophobicContact CD1-CB 4.38Å; L248-L281 HydrophobicContact CD1-CD2 4.22Å
249F98.6Very high97.3Very high17 Ų1721.2 Ų21.28%0.07513%0.126CC..EExtended strand (participates in β ladder)trans-134.3121.4-176.5-51.2-63000109.3D135 T139 V140 V193 K194 V247 I257 L258D135-F249 HydrophobicContact CB-CZ 4.48Å; T139-F249 HydrophobicContact CG2-CD1 4Å; T139-F249 HydrophobicContact CG2-CD2 4.28Å; T139-F249 HydrophobicContact CG2-CE1 4.06Å; T139-F249 HydrophobicContact CG2-CE2 4.33Å; T139-F249 HydrophobicContact CG2-CG 4.1Å; T139-F249 HydrophobicContact CG2-CZ 4.21Å; V140-F249 HydrophobicContact CG2-CD1 3.6Å; V140-F249 HydrophobicContact CG2-CE1 3.87Å; V193-F249 CarbonylContact C-O 3.41Å; V193-F249 VanDerWaalsContact CA-O 3.25Å; V193-F249 WeakPolarHBondContact CA-O 3.17Å; K194-F249 PolarHBondContact N-O 2.88Å; K194-F249 PolarHBondContact O-N 3.32Å; V247-F249 HydrophobicContact CB-CZ 4.16Å; V247-F249 HydrophobicContact CG1-CE1 4.49Å; V247-F249 HydrophobicContact CG1-CE2 3.91Å; V247-F249 HydrophobicContact CG1-CZ 3.64Å; V247-F249 HydrophobicContact CG2-CD1 4.21Å; V247-F249 HydrophobicContact CG2-CE1 3.37Å; V247-F249 HydrophobicContact CG2-CE2 4.2Å; V247-F249 HydrophobicContact CG2-CZ 3.38Å; F249-I257 HydrophobicContact CB-CG2 3.86Å; F249-I257 HydrophobicContact CD1-CG2 4.38Å; F249-I257 HydrophobicContact CG-CG2 4.48Å; F249-L258 CarbonylContact C-O 3.32Å; F249-L258 WeakPolarHBondContact CA-O 3.33Å
250A98.5Very high97.4Very high0 Ų020.8 Ų20.80%012%0.122CC..EExtended strand (participates in β ladder)trans-100.5116.7170.700000109.2L190 V193 I257 L258 L281 T285L190-A250 HydrophobicContact CD2-CB 3.87Å; V193-A250 HydrophobicContact CG2-CB 4.21Å; A250-I257 WeakPolarHBondContact O-CA 3.42Å; A250-L258 PolarHBondContact N-O 3Å; A250-L258 PolarHBondContact O-N 2.89Å; A250-L281 HydrophobicContact CB-CD1 3.96Å; A250-L281 HydrophobicContact CB-CD2 4.14Å; A250-L281 HydrophobicContact CB-CG 4.17Å; A250-T285 HydrophobicContact CB-CG2 3.56Å
251R98.4Very high97.4Very high106 Ų10620.5 Ų20.540%0.412%0.119SC..EExtended strand (participates in β ladder)trans-93.6137174.9176.4176.7-78.3169.9-15.5110.1V191 E192 Y256V191-R251 PolarHBondContact N-O 3.33Å; E192-R251 HydrophobicContact CG-CB 3.97Å; E192-R251 PolarHBondContact O-N 2.84Å; E192-R251 IonicContact OE1-CZ 3.51Å; E192-R251 IonicContact OE1-NE 2.79Å; E192-R251 IonicContact OE1-NH1 3.51Å; E192-R251 PolarHBondContact OE1-NH1 3.28Å; R251-Y256 WeakPolarHBondContact CA-O 3.34Å
252T97.9Very high97.6Very high7 Ų726.1 Ų26.14%0.04314%0.137CC..EExtended strand (participates in β ladder)trans-108.9165.4-18079.60000112.5A187 S189 L190 S254 G255 Y256 L258A187-T252 HydrophobicContact CB-CG2 4.24Å; A187-T252 WeakPolarHBondContact O-CB 3.28Å; A187-T252 PolarHBondContact O-OG1 3.32Å; S189-T252 CarbonylContact O-C 3.55Å; S189-T252 WeakPolarHBondContact O-CA 3.4Å; L190-T252 HydrophobicContact CD2-CG2 4.48Å; T252-S254 PolarHBondContact O-N 2.84Å; T252-G255 PolarHBondContact O-N 3.07Å; T252-Y256 PolarHBondContact N-O 3.11Å; T252-Y256 PolarHBondContact OG1-N 3.3Å; T252-L258 HydrophobicContact CG2-CD1 3.76Å
253S97.5Very high97.6Very high70 Ų7024.2 Ų24.249%0.4913%0.127SC..THydrogen-bonded Turntrans-66.8-25-179.361.40000113.2G188 S189 G255G188-S253 WeakPolarHBondContact CA-OG 3.41Å; S189-S253 PolarHBondContact N-OG 2.93Å; S189-S253 PolarHBondContact O-N 2.92Å; S253-G255 PolarHBondContact O-N 2.89Å
254S96.5Very high97.7Very high47 Ų4724.6 Ų24.633%0.32913%0.127SC..THydrogen-bonded Turntrans-79.23.2171.5-570000113.2R147 D186 A187 T252R147-S254 PolarHBondContact NH2-O 3.36Å; D186-S254 PolarHBondContact O-OG 3.08Å; A187-S254 WeakPolarHBondContact O-CB 3.27Å; A187-S254 PolarHBondContact O-N 3.29Å; A187-S254 PolarHBondContact O-OG 2.96Å; T252-S254 PolarHBondContact O-N 2.84Å
255G96Very high97.4Very high27 Ų2729.8 Ų29.828%0.27815%0.15SC..SBendtrans76.518.4178.800000114.2R147 T252 S253R147-G255 PolarHBondContact NH2-O 3.12Å; T252-G255 PolarHBondContact O-N 3.07Å; S253-G255 PolarHBondContact O-N 2.89Å
256Y96.8Very high96.9Very high16 Ų1639.2 Ų39.26%0.06319%0.194CC..  trans-83157.7170.9-51.1-47.4000110.4M144 R147 L184 D186 A187 R251 T252 C290M144-Y256 HydrophobicContact CE-CD1 4.37Å; R147-Y256 VanDerWaalsContact NH1-CE1 3.26Å; R147-Y256 VanDerWaalsContact NH2-CD1 3.32Å; L184-Y256 HydrophobicContact CD1-CE1 4.42Å; L184-Y256 HydrophobicContact CD2-CE1 3.9Å; D186-Y256 WeakPolarHBondContact O-CE2 3.36Å; A187-Y256 HydrophobicContact CB-CD2 3.88Å; A187-Y256 HydrophobicContact CB-CE2 4.37Å; R251-Y256 WeakPolarHBondContact CA-O 3.34Å; T252-Y256 PolarHBondContact N-O 3.11Å; T252-Y256 PolarHBondContact OG1-N 3.3Å; Y256-C290 HydrophobicContact CD2-CB 3.91Å; Y256-C290 HydrophobicContact CE2-CB 3.85Å; Y256-C290 WeakPolarHBondContact CE2-SG 3.45Å; Y256-C290 HydrophobicContact CG-CB 4.5Å
257I98.3Very high96.6Very high13 Ų1342.6 Ų42.67%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-128.5121.3174.4-51.9177000107.2T139 V140 E143 F249 A250T139-I257 HydrophobicContact CG2-CD1 4.12Å; T139-I257 HydrophobicContact CG2-CG2 4.41Å; V140-I257 WeakPolarHBondContact CG1-O 3.14Å; V140-I257 HydrophobicContact CG2-CB 4.48Å; V140-I257 HydrophobicContact CG2-CG2 3.86Å; E143-I257 HydrophobicContact CB-CD1 4.09Å; E143-I257 HydrophobicContact CG-CD1 4.06Å; E143-I257 HydrophobicContact CG-CG1 4.19Å; F249-I257 HydrophobicContact CB-CG2 3.86Å; F249-I257 HydrophobicContact CD1-CG2 4.38Å; F249-I257 HydrophobicContact CG-CG2 4.48Å; A250-I257 WeakPolarHBondContact O-CA 3.42Å
258L98.2Very high96.4Very high1 Ų144.9 Ų44.91%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-103.4139.8171.8-64.595000108.8F249 A250 T252 Q284 T285 A289 D292F249-L258 CarbonylContact C-O 3.32Å; F249-L258 WeakPolarHBondContact CA-O 3.33Å; A250-L258 PolarHBondContact N-O 3Å; A250-L258 PolarHBondContact O-N 2.89Å; T252-L258 HydrophobicContact CG2-CD1 3.76Å; L258-Q284 HydrophobicContact CB-CB 4.47Å; L258-Q284 HydrophobicContact CD2-CB 4.21Å; L258-Q284 VanDerWaalsContact CD2-O 3.23Å; L258-Q284 WeakPolarHBondContact CD2-O 3.4Å; L258-T285 HydrophobicContact CB-CG2 4.39Å; L258-A289 HydrophobicContact CD2-CB 4.47Å; L258-D292 HydrophobicContact CB-CB 4.22Å; L258-D292 HydrophobicContact CD2-CB 4.25Å
259G98Very high96.4Very high0 Ų048.7 Ų48.70%026%0.261CS..EExtended strand (participates in β ladder)trans-124.2156.6-176.200000114.5L248 D292L248-G259 VanDerWaalsContact O-CA 3.3Å; L248-G259 WeakPolarHBondContact O-CA 3.37Å; G259-D292 PolarHBondContact N-OD2 3.47Å
260T98Very high96.3Very high4 Ų448 Ų483%0.02526%0.259CS..EExtended strand (participates in β ladder)trans-145.9152.7162.6-1740000109.1V247 L248 V277 S280 L281V247-T260 WeakPolarHBondContact CA-O 3.38Å; L248-T260 HydrophobicContact CB-CG2 4.17Å; L248-T260 HydrophobicContact CD1-CG2 4.43Å; L248-T260 PolarHBondContact N-O 3.29Å; L248-T260 PolarHBondContact O-N 3.06Å; L248-T260 VanDerWaalsContact O-N 3.13Å; T260-V277 HydrophobicContact CG2-CG1 3.77Å; T260-V277 WeakPolarHBondContact CG2-O 3.04Å; T260-S280 PolarHBondContact OG1-OG 2.95Å; T260-L281 HydrophobicContact CG2-CB 3.64Å; T260-L281 HydrophobicContact CG2-CD1 4Å; T260-L281 HydrophobicContact CG2-CG 4.39Å
261D97.7Very high96.3Very high33 Ų3351.2 Ų51.218%0.17628%0.279CS..EExtended strand (participates in β ladder)trans-146.5163.4-179.872.885000113.1Q133 I246 V247Q133-D261 HydrophobicContact CG-CB 3.81Å; Q133-D261 WeakPolarHBondContact CG-OD1 3.38Å; Q133-D261 PolarHBondContact NE2-OD1 3.03Å; I246-D261 CarbonylContact O-C 3.51Å; I246-D261 VanDerWaalsContact O-CA 3.24Å; I246-D261 WeakPolarHBondContact O-CA 3.37Å; I246-D261 WeakPolarHBondContact O-CB 3.26Å; V247-D261 HydrophobicContact CB-CB 4.03Å; V247-D261 HydrophobicContact CG2-CB 4.01Å
262R97.2Very high96.3Very high128 Ų12850.1 Ų50.148%0.48328%0.284SS..EExtended strand (participates in β ladder)trans-152.1130.9172.3-166.368.4169.7-161.1-3.7111.1G245 I246 I273 V277G245-R262 CarbonylContact C-O 3.41Å; G245-R262 WeakPolarHBondContact CA-O 3.4Å; I246-R262 HydrophobicContact CG2-CB 4.37Å; I246-R262 PolarHBondContact N-O 2.71Å; I246-R262 PolarHBondContact O-N 2.79Å; R262-I273 HydrophobicContact CB-CG2 4.23Å; R262-I273 HydrophobicContact CG-CG2 3.72Å; R262-V277 HydrophobicContact CB-CG2 3.49Å; R262-V277 VanDerWaalsContact CB-CG2 3.49Å; R262-V277 HydrophobicContact CG-CG2 4.22Å
263I96Very high96.3Very high32 Ų3250.8 Ų50.816%0.16429%0.287CS..EExtended strand (participates in β ladder)trans-90.8134.1161.6-60.9176.3000108.4N127 A128 W198N127-I263 HydrophobicContact CB-CD1 4.16Å; A128-I263 VanDerWaalsContact C-CD1 3.43Å; A128-I263 WeakPolarHBondContact O-CD1 3.47Å; W198-I263 HydrophobicContact CZ2-CG1 4.41Å
264L96Very high96.3Very high13 Ų1347.4 Ų47.47%0.06826%0.263CS..PPolyproline II helixtrans-93.7134.9176.1-76.175000110.5L211 L244 D268 A270 I273L211-L264 HydrophobicContact CD1-CD1 4.17Å; L211-L264 HydrophobicContact CD1-CD2 4.32Å; L211-L264 HydrophobicContact CD2-CD1 3.58Å; L211-L264 HydrophobicContact CD2-CD2 4.32Å; L244-L264 HydrophobicContact CB-CB 4.29Å; L244-L264 HydrophobicContact CD2-CB 3.84Å; L244-L264 HydrophobicContact CD2-CD2 3.73Å; L244-L264 HydrophobicContact CD2-CG 4.32Å; L244-L264 HydrophobicContact CG-CB 3.86Å; L244-L264 HydrophobicContact CG-CD1 4.32Å; L244-L264 HydrophobicContact CG-CD2 4.07Å; L244-L264 HydrophobicContact CG-CG 4.31Å; L244-L264 PolarHBondContact O-N 2.82Å; L264-D268 WeakPolarHBondContact CA-OD2 3.35Å; L264-D268 HydrophobicContact CB-CB 4.12Å; L264-D268 HydrophobicContact CD2-CB 4.29Å; L264-D268 HydrophobicContact CG-CB 4.22Å; L264-A270 HydrophobicContact CD2-CB 4.15Å; L264-I273 HydrophobicContact CD1-CG2 3.78Å; L264-I273 HydrophobicContact CD2-CB 4.29Å; L264-I273 HydrophobicContact CD2-CG1 4.46Å; L264-I273 HydrophobicContact CD2-CG2 4.34Å; L264-I273 HydrophobicContact CG-CB 4.41Å; L264-I273 HydrophobicContact CG-CG1 4.44Å; L264-I273 HydrophobicContact CG-CG2 4.03Å
265K92.2Very high96.4Very high112 Ų11246.7 Ų46.749%0.48726%0.258SS..PPolyproline II helixtrans-89.1169.1174-63.8178.3-177.8177.90110.5D129 G267 D268D129-K265 WeakPolarHBondContact OD2-CE 3.48Å; D129-K265 IonicContact OD2-NZ 2.82Å; D129-K265 PolarHBondContact OD2-NZ 3.3Å; K265-G267 PolarHBondContact O-N 3.33Å; K265-D268 PolarHBondContact N-OD2 2.89Å; K265-D268 WeakPolarHBondContact O-CB 3.25Å; K265-D268 PolarHBondContact O-N 2.74Å
266Q88.3Confident96.5Very high198 Ų19848.8 Ų48.893%0.92527%0.266SS*.THydrogen-bonded Turntrans-62.5130.4172.5-177.1173.1-5.900109.5
267G90.8Very high96.6Very high71 Ų7148.3 Ų48.373%0.73226%0.264SS*.THydrogen-bonded Turntrans93.6-17.8-175.800000114.8K265 D269K265-G267 PolarHBondContact O-N 3.33Å; G267-D269 PolarHBondContact O-N 2.96Å
268D95.5Very high96.6Very high47 Ų4747.7 Ų47.725%0.25126%0.261SS..  trans-64.6133.4179.1-73.2-7.4000111.9R207 L264 K265 A270 I273R207-D268 PolarHBondContact NH2-O 3.29Å; L264-D268 WeakPolarHBondContact CA-OD2 3.35Å; L264-D268 HydrophobicContact CB-CB 4.12Å; L264-D268 HydrophobicContact CD2-CB 4.29Å; L264-D268 HydrophobicContact CG-CB 4.22Å; K265-D268 PolarHBondContact N-OD2 2.89Å; K265-D268 WeakPolarHBondContact O-CB 3.25Å; K265-D268 PolarHBondContact O-N 2.74Å; D268-A270 PolarHBondContact O-N 2.89Å; D268-I273 HydrophobicContact CB-CG1 4.45Å
269D97.2Very high96.7Very high80 Ų8050.9 Ų50.943%0.42828%0.276SS..  trans-78.5116.6174.5174.740.1000111.3G267 V271 T272 I273G267-D269 PolarHBondContact O-N 2.96Å; D269-V271 VanDerWaalsContact C-N 3.27Å; D269-V271 PolarHBondContact O-N 2.85Å; D269-V271 PolarHBondContact OD1-N 2.9Å; D269-T272 WeakPolarHBondContact OD2-CB 3.3Å; D269-T272 PolarHBondContact OD2-N 3.38Å; D269-T272 PolarHBondContact OD2-OG1 2.84Å; D269-I273 WeakPolarHBondContact O-CB 3.33Å; D269-I273 VanDerWaalsContact O-CG1 3.25Å; D269-I273 WeakPolarHBondContact O-CG1 3.11Å; D269-I273 PolarHBondContact O-N 3.04Å
270A97.2Very high96.7Very high4 Ų452.8 Ų52.83%0.03329%0.289CS..Hα-helixtrans-64.8-31-177.600000112.8L210 L211 L264 D268 G274L210-A270 HydrophobicContact CB-CB 4.17Å; L211-A270 HydrophobicContact CB-CB 4.25Å; L211-A270 VanDerWaalsContact CD1-O 3.3Å; L211-A270 WeakPolarHBondContact CD1-O 3.22Å; L264-A270 HydrophobicContact CD2-CB 4.15Å; D268-A270 PolarHBondContact O-N 2.89Å; A270-G274 PolarHBondContact O-N 2.84Å
271V97.9Very high96.7Very high67 Ų6752.6 Ų52.641%0.40629%0.288SS..Hα-helixtrans-71.3-52.4-179.5179.10000110.1L210 S214 D269 I273 G274 S275L210-V271 HydrophobicContact CB-CG2 4.44Å; L210-V271 HydrophobicContact CD2-CG2 4.38Å; S214-V271 WeakPolarHBondContact CB-O 3.41Å; S214-V271 PolarHBondContact OG-O 2.96Å; D269-V271 VanDerWaalsContact C-N 3.27Å; D269-V271 PolarHBondContact O-N 2.85Å; D269-V271 PolarHBondContact OD1-N 2.9Å; V271-I273 PolarHBondContact O-N 3.13Å; V271-G274 PolarHBondContact O-N 2.82Å; V271-S275 PolarHBondContact O-N 2.87Å
272T98.4Very high96.6Very high83 Ų8354.1 Ų54.151%0.50929%0.294SS..Hα-helixtrans-57.5-49.7176.9-60.30000111.1D269 G274 S275 V276D269-T272 WeakPolarHBondContact OD2-CB 3.3Å; D269-T272 PolarHBondContact OD2-N 3.38Å; D269-T272 PolarHBondContact OD2-OG1 2.84Å; T272-G274 VanDerWaalsContact C-N 3.32Å; T272-G274 PolarHBondContact O-N 2.92Å; T272-S275 PolarHBondContact O-N 2.92Å; T272-V276 HydrophobicContact CG2-CG2 4.42Å; T272-V276 WeakPolarHBondContact O-CG2 3.3Å; T272-V276 PolarHBondContact O-N 2.91Å
273I98.3Very high96.5Very high20 Ų2052.6 Ų52.610%0.10330%0.299CS..Hα-helixtrans-62.5-38.7-179.3-65.6-65.7000111.8L211 R262 L264 D268 D269 V271 S275 V276 V277L211-I273 HydrophobicContact CD1-CB 4.26Å; L211-I273 HydrophobicContact CD1-CG2 4.01Å; R262-I273 HydrophobicContact CB-CG2 4.23Å; R262-I273 HydrophobicContact CG-CG2 3.72Å; L264-I273 HydrophobicContact CD1-CG2 3.78Å; L264-I273 HydrophobicContact CD2-CB 4.29Å; L264-I273 HydrophobicContact CD2-CG1 4.46Å; L264-I273 HydrophobicContact CD2-CG2 4.34Å; L264-I273 HydrophobicContact CG-CB 4.41Å; L264-I273 HydrophobicContact CG-CG1 4.44Å; L264-I273 HydrophobicContact CG-CG2 4.03Å; D268-I273 HydrophobicContact CB-CG1 4.45Å; D269-I273 WeakPolarHBondContact O-CB 3.33Å; D269-I273 VanDerWaalsContact O-CG1 3.25Å; D269-I273 WeakPolarHBondContact O-CG1 3.11Å; D269-I273 PolarHBondContact O-N 3.04Å; V271-I273 PolarHBondContact O-N 3.13Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 2.87Å; I273-V276 PolarHBondContact O-N 2.94Å; I273-V277 HydrophobicContact CG2-CG2 4.06Å; I273-V277 VanDerWaalsContact O-CG2 3.28Å; I273-V277 WeakPolarHBondContact O-CG2 3.39Å; I273-V277 PolarHBondContact O-N 2.84Å
274G98.5Very high96.5Very high0 Ų052.4 Ų52.40%030%0.297CS..Hα-helixtrans-58.6-42.2176.400000112.9A215 A270 V271 T272 A278A215-G274 VanDerWaalsContact CA-O 3.27Å; A215-G274 WeakPolarHBondContact CA-O 3.45Å; A215-G274 WeakPolarHBondContact CB-O 3.5Å; A270-G274 PolarHBondContact O-N 2.84Å; V271-G274 PolarHBondContact O-N 2.82Å; T272-G274 VanDerWaalsContact C-N 3.32Å; T272-G274 PolarHBondContact O-N 2.92Å; G274-A278 PolarHBondContact O-N 2.78Å
275S98.5Very high96.4Very high32 Ų3253 Ų5322%0.22430%0.301CS..Hα-helixtrans-66.4-43.9175.7-168.10000111.9S214 R218 V271 T272 I273 V277 A278 E279S214-S275 PolarHBondContact OG-N 3.26Å; R218-S275 WeakPolarHBondContact CG-OG 3.43Å; V271-S275 PolarHBondContact O-N 2.87Å; T272-S275 PolarHBondContact O-N 2.92Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 2.87Å; S275-V277 VanDerWaalsContact C-N 3.34Å; S275-V277 PolarHBondContact O-N 2.81Å; S275-A278 WeakPolarHBondContact O-CB 3.39Å; S275-A278 PolarHBondContact O-N 2.86Å; S275-E279 WeakPolarHBondContact O-CG 3.48Å; S275-E279 PolarHBondContact O-N 3.44Å
276V98.6Very high96.3Very high71 Ų7154.1 Ų54.143%0.4331%0.313SS..Hα-helixtrans-61.8-41.1179.2170.10000111.7T272 I273 E279 S280T272-V276 HydrophobicContact CG2-CG2 4.42Å; T272-V276 WeakPolarHBondContact O-CG2 3.3Å; T272-V276 PolarHBondContact O-N 2.91Å; I273-V276 PolarHBondContact O-N 2.94Å; V276-E279 PolarHBondContact O-N 3.35Å; V276-S280 WeakPolarHBondContact O-CB 3.3Å; V276-S280 PolarHBondContact O-N 2.87Å
277V98.4Very high96Very high5 Ų545.7 Ų45.73%0.0328%0.276CS..Hα-helixtrans-68.2-36.8178.4179.50000111.1I246 L248 T260 R262 I273 S275 S280 L281I246-V277 HydrophobicContact CG2-CB 4.22Å; I246-V277 HydrophobicContact CG2-CG1 3.99Å; I246-V277 HydrophobicContact CG2-CG2 3.92Å; L248-V277 HydrophobicContact CD1-CG1 3.74Å; L248-V277 HydrophobicContact CG-CG1 4Å; T260-V277 HydrophobicContact CG2-CG1 3.77Å; T260-V277 WeakPolarHBondContact CG2-O 3.04Å; R262-V277 HydrophobicContact CB-CG2 3.49Å; R262-V277 VanDerWaalsContact CB-CG2 3.49Å; R262-V277 HydrophobicContact CG-CG2 4.22Å; I273-V277 HydrophobicContact CG2-CG2 4.06Å; I273-V277 VanDerWaalsContact O-CG2 3.28Å; I273-V277 WeakPolarHBondContact O-CG2 3.39Å; I273-V277 PolarHBondContact O-N 2.84Å; S275-V277 VanDerWaalsContact C-N 3.34Å; S275-V277 PolarHBondContact O-N 2.81Å; V277-S280 WeakPolarHBondContact O-CB 3.47Å; V277-S280 PolarHBondContact O-N 2.82Å; V277-L281 PolarHBondContact O-N 3.46Å
278A98.7Very high95.9Very high0 Ų043.3 Ų43.30%025%0.251CS..Hα-helixtrans-61.8-44.7173.700000112.4R218 L219 I222 G274 S275 L281 Q282R218-A278 HydrophobicContact CB-CB 3.74Å; R218-A278 HydrophobicContact CG-CB 3.73Å; L219-A278 HydrophobicContact CD2-CB 3.8Å; L219-A278 HydrophobicContact CG-CB 3.65Å; I222-A278 HydrophobicContact CD1-CB 4.47Å; G274-A278 PolarHBondContact O-N 2.78Å; S275-A278 WeakPolarHBondContact O-CB 3.39Å; S275-A278 PolarHBondContact O-N 2.86Å; A278-L281 PolarHBondContact O-N 2.83Å; A278-Q282 PolarHBondContact O-N 3.21Å; A278-Q282 VanDerWaalsContact O-N 3.13Å
279E98.5Very high95.8Very high69 Ų6941.2 Ų41.232%0.32224%0.24SC..Hα-helixtrans-65.4-39.7176.5-70.8170.8-178.400111.7R218 I222 S275 V276 L281 Q282 T283R218-E279 HydrophobicContact CG-CG 4.32Å; R218-E279 IonicContact CZ-OE1 3.17Å; R218-E279 IonicContact NE-OE1 2.79Å; R218-E279 PolarHBondContact NE-OE1 3.19Å; R218-E279 IonicContact NH2-OE1 2.73Å; R218-E279 PolarHBondContact NH2-OE1 3.36Å; I222-E279 HydrophobicContact CD1-CG 4.18Å; S275-E279 WeakPolarHBondContact O-CG 3.48Å; S275-E279 PolarHBondContact O-N 3.44Å; V276-E279 PolarHBondContact O-N 3.35Å; E279-L281 VanDerWaalsContact C-N 3.31Å; E279-L281 PolarHBondContact O-N 2.89Å; E279-Q282 WeakPolarHBondContact O-CB 3.33Å; E279-Q282 PolarHBondContact O-N 2.95Å; E279-Q282 VanDerWaalsContact O-N 3.16Å; E279-T283 PolarHBondContact O-N 2.88Å; E279-T283 PolarHBondContact O-OG1 2.85Å
280S97.9Very high95.8Very high39 Ų3937.4 Ų37.427%0.27322%0.22SC..Hα-helixtrans-57.9-42.6173.5178.90000112T260 V276 V277 T283 Q284T260-S280 PolarHBondContact OG1-OG 2.95Å; V276-S280 WeakPolarHBondContact O-CB 3.3Å; V276-S280 PolarHBondContact O-N 2.87Å; V277-S280 WeakPolarHBondContact O-CB 3.47Å; V277-S280 PolarHBondContact O-N 2.82Å; S280-T283 WeakPolarHBondContact O-CB 3.45Å; S280-T283 PolarHBondContact O-N 2.76Å; S280-Q284 WeakPolarHBondContact O-CG 3.44Å; S280-Q284 PolarHBondContact O-N 2.8Å; S280-Q284 VanDerWaalsContact O-N 3.16Å
281L98.2Very high95.8Very high0 Ų037.2 Ų37.20%022%0.219CC..Hα-helixtrans-63.6-42.9176.2-172.267.9000111.3V193 L219 M223 L248 A250 T260 V277 A278 E279 T283 Q284 T285V193-L281 HydrophobicContact CB-CD2 4.45Å; V193-L281 HydrophobicContact CG1-CD2 3.55Å; V193-L281 HydrophobicContact CG2-CD2 3.98Å; L219-L281 HydrophobicContact CD2-CD2 3.96Å; M223-L281 HydrophobicContact SD-CD2 4.06Å; M223-L281 HydrophobicContact SD-CG 4.47Å; L248-L281 HydrophobicContact CB-CD1 4.45Å; L248-L281 HydrophobicContact CB-CD2 3.88Å; L248-L281 HydrophobicContact CD1-CB 4.38Å; L248-L281 HydrophobicContact CD1-CD2 4.22Å; A250-L281 HydrophobicContact CB-CD1 3.96Å; A250-L281 HydrophobicContact CB-CD2 4.14Å; A250-L281 HydrophobicContact CB-CG 4.17Å; T260-L281 HydrophobicContact CG2-CB 3.64Å; T260-L281 HydrophobicContact CG2-CD1 4Å; T260-L281 HydrophobicContact CG2-CG 4.39Å; V277-L281 PolarHBondContact O-N 3.46Å; A278-L281 PolarHBondContact O-N 2.83Å; E279-L281 VanDerWaalsContact C-N 3.31Å; E279-L281 PolarHBondContact O-N 2.89Å; L281-T283 VanDerWaalsContact C-N 3.3Å; L281-T283 PolarHBondContact O-N 3.38Å; L281-Q284 WeakPolarHBondContact O-CB 3.24Å; L281-Q284 PolarHBondContact O-N 2.99Å; L281-Q284 VanDerWaalsContact O-N 3.13Å; L281-T285 PolarHBondContact O-N 3.36Å; L281-T285 PolarHBondContact O-OG1 2.69Å
282Q96.8Very high95.8Very high66 Ų6634 Ų3431%0.30820%0.199SC..Hα-helixtrans-57.1-46.5176.4-172.6-17440.800110.6I222 A278 E279 Q284 T285 N286I222-Q282 HydrophobicContact CD1-CB 3.92Å; I222-Q282 HydrophobicContact CD1-CG 4.46Å; I222-Q282 HydrophobicContact CG1-CB 4.43Å; I222-Q282 PolarHBondContact O-NE2 3.43Å; A278-Q282 PolarHBondContact O-N 3.21Å; A278-Q282 VanDerWaalsContact O-N 3.13Å; E279-Q282 WeakPolarHBondContact O-CB 3.33Å; E279-Q282 PolarHBondContact O-N 2.95Å; E279-Q282 VanDerWaalsContact O-N 3.16Å; Q282-Q284 VanDerWaalsContact C-N 3.3Å; Q282-Q284 PolarHBondContact O-N 2.87Å; Q282-T285 PolarHBondContact O-N 2.9Å; Q282-T285 PolarHBondContact O-OG1 3.47Å; Q282-N286 WeakPolarHBondContact O-CB 3.35Å; Q282-N286 PolarHBondContact O-N 2.82Å
283T95.1Very high95.7Very high96 Ų9631.4 Ų31.459%0.58918%0.184SC*.Hα-helixtrans-55.4-42.6176-56.10000112.3E279 S280 L281 T285E279-T283 PolarHBondContact O-N 2.88Å; E279-T283 PolarHBondContact O-OG1 2.85Å; S280-T283 WeakPolarHBondContact O-CB 3.45Å; S280-T283 PolarHBondContact O-N 2.76Å; L281-T283 VanDerWaalsContact C-N 3.3Å; L281-T283 PolarHBondContact O-N 3.38Å; T283-T285 PolarHBondContact O-N 2.96Å
284Q95.7Very high95.6Very high27 Ų2734.7 Ų34.713%0.12620%0.199CC..Hα-helixtrans-62.1-33.5177.6-59.8-47.1-49.100112.4L258 S280 L281 Q282 D292 S293L258-Q284 HydrophobicContact CB-CB 4.47Å; L258-Q284 HydrophobicContact CD2-CB 4.21Å; L258-Q284 VanDerWaalsContact CD2-O 3.23Å; L258-Q284 WeakPolarHBondContact CD2-O 3.4Å; S280-Q284 WeakPolarHBondContact O-CG 3.44Å; S280-Q284 PolarHBondContact O-N 2.8Å; S280-Q284 VanDerWaalsContact O-N 3.16Å; L281-Q284 WeakPolarHBondContact O-CB 3.24Å; L281-Q284 PolarHBondContact O-N 2.99Å; L281-Q284 VanDerWaalsContact O-N 3.13Å; Q282-Q284 VanDerWaalsContact C-N 3.3Å; Q282-Q284 PolarHBondContact O-N 2.87Å; Q284-D292 HydrophobicContact CB-CB 4.06Å; Q284-D292 HydrophobicContact CG-CB 3.92Å; Q284-S293 PolarHBondContact NE2-OG 2.83Å; Q284-S293 PolarHBondContact OE1-OG 2.85Å
285T94.3Very high95.6Very high25 Ų2534.7 Ų34.715%0.15320%0.199CC..Hα-helixtrans-93.3-15.4-173.559.60000115.1L190 M223 A250 L258 L281 Q282 T283 C287L190-T285 HydrophobicContact CD2-CG2 3.84Å; M223-T285 HydrophobicContact CE-CG2 4.41Å; A250-T285 HydrophobicContact CB-CG2 3.56Å; L258-T285 HydrophobicContact CB-CG2 4.39Å; L281-T285 PolarHBondContact O-N 3.36Å; L281-T285 PolarHBondContact O-OG1 2.69Å; Q282-T285 PolarHBondContact O-N 2.9Å; Q282-T285 PolarHBondContact O-OG1 3.47Å; T283-T285 PolarHBondContact O-N 2.96Å; T285-C287 VanDerWaalsContact C-N 3.33Å; T285-C287 PolarHBondContact O-N 2.96Å
286N88.6Confident95.5Very high136 Ų13633.3 Ų33.373%0.72719%0.189SC*.THydrogen-bonded Turntrans-75.9-15-166.4-163.644.6000115Q282Q282-N286 WeakPolarHBondContact O-CB 3.35Å; Q282-N286 PolarHBondContact O-N 2.82Å
287C83.9Confident95.5Very high22 Ų2230.5 Ų30.515%0.14917%0.172CC..THydrogen-bonded Turntrans-105.310.2-174.856.30000114.2T285 A289 G315T285-C287 VanDerWaalsContact C-N 3.33Å; T285-C287 PolarHBondContact O-N 2.96Å; C287-A289 PolarHBondContact O-N 3.16Å; C287-A289 VanDerWaalsContact SG-CB 3.57Å; C287-G315 VanDerWaalsContact SG-CA 3.57Å
288G88.1Confident95.5Very high21 Ų2130.9 Ų30.922%0.21617%0.173CC..  trans67.516.7-175.500000113.9
289A93.9Very high95.4Very high2 Ų230.9 Ų30.92%0.01717%0.173CC..  trans-62.3140.3177.800000111.9A187 L258 C287 V291A187-A289 WeakPolarHBondContact CB-O 3.33Å; L258-A289 HydrophobicContact CD2-CB 4.47Å; C287-A289 PolarHBondContact O-N 3.16Å; C287-A289 VanDerWaalsContact SG-CB 3.57Å; A289-V291 WeakPolarHBondContact CB-O 3.47Å
290C96.9Very high95.5Very high0 Ų027.6 Ų27.60%016%0.158CC..SBendtrans-88-13174-62.30000112.2M144 L184 Y256 V312 R313M144-C290 WeakPolarHBondContact CE-O 3.38Å; L184-C290 VanDerWaalsContact C-SG 3.52Å; L184-C290 HydrophobicContact CB-CB 3.82Å; L184-C290 PolarHBondContact O-SG 3.35Å; L184-C290 VanDerWaalsContact O-SG 3.38Å; Y256-C290 HydrophobicContact CD2-CB 3.91Å; Y256-C290 HydrophobicContact CE2-CB 3.85Å; Y256-C290 WeakPolarHBondContact CE2-SG 3.45Å; Y256-C290 HydrophobicContact CG-CB 4.5Å; C290-V312 HydrophobicContact CB-CG1 4.47Å; C290-R313 PolarHBondContact N-O 3.44Å
291V97.7Very high95.5Very high1 Ų126.1 Ų26.11%0.00615%0.147CC..BIsolated β-bridgetrans-134.7138.7177.8-67.20000110.2M144 A289 L295 Q296 I299 V312 A314M144-V291 HydrophobicContact CE-CG1 3.65Å; M144-V291 HydrophobicContact SD-CG1 4.23Å; A289-V291 WeakPolarHBondContact CB-O 3.47Å; V291-L295 HydrophobicContact CB-CB 4.17Å; V291-L295 HydrophobicContact CB-CD2 4.16Å; V291-L295 HydrophobicContact CB-CG 4.29Å; V291-L295 HydrophobicContact CG1-CD2 3.86Å; V291-L295 HydrophobicContact CG1-CG 4.1Å; V291-Q296 HydrophobicContact CG2-CG 3.73Å; V291-I299 HydrophobicContact CG1-CD1 3.92Å; V291-V312 HydrophobicContact CB-CG1 4.42Å; V291-V312 HydrophobicContact CG1-CG1 3.72Å; V291-V312 HydrophobicContact CG2-CG1 3.79Å; V291-A314 HydrophobicContact CG2-CB 3.68Å
292D97.6Very high95.5Very high0 Ų026.3 Ų26.30%015%0.147CC..  trans-76.3167.7169.967.267.6000111.8Y136 L258 G259 Q284 H294 L295 Q296Y136-D292 PolarHBondContact OH-OD1 3.44Å; Y136-D292 PolarHBondContact OH-OD2 3.05Å; L258-D292 HydrophobicContact CB-CB 4.22Å; L258-D292 HydrophobicContact CD2-CB 4.25Å; G259-D292 PolarHBondContact N-OD2 3.47Å; Q284-D292 HydrophobicContact CB-CB 4.06Å; Q284-D292 HydrophobicContact CG-CB 3.92Å; D292-H294 PolarHBondContact O-N 2.9Å; D292-H294 VanDerWaalsContact O-N 3.12Å; D292-H294 WeakPolarHBondContact OD1-CA 3.39Å; D292-H294 WeakPolarHBondContact OD1-CB 3.19Å; D292-H294 PolarHBondContact OD1-N 2.75Å; D292-L295 PolarHBondContact O-N 3.26Å; D292-L295 PolarHBondContact OD1-N 2.65Å; D292-Q296 WeakPolarHBondContact O-CG 3.39Å; D292-Q296 PolarHBondContact O-N 3.47Å; D292-Q296 VanDerWaalsContact O-N 3.08Å
293S96.3Very high95.6Very high28 Ų2823.1 Ų23.120%0.19613%0.133CC..THydrogen-bonded Turntrans-59-23.5-176.462.70000114.8Q284 T318Q284-S293 PolarHBondContact NE2-OG 2.83Å; Q284-S293 PolarHBondContact OE1-OG 2.85Å; S293-T318 VanDerWaalsContact O-CG2 3.28Å; S293-T318 WeakPolarHBondContact O-CG2 3.01Å
294H96Very high95.8Very high89 Ų8918.6 Ų18.641%0.41211%0.105SC..THydrogen-bonded Turntrans-88.6-30.9176.3-60.3-62.2000112.3D292 Q298D292-H294 PolarHBondContact O-N 2.9Å; D292-H294 VanDerWaalsContact O-N 3.12Å; D292-H294 WeakPolarHBondContact OD1-CA 3.39Å; D292-H294 WeakPolarHBondContact OD1-CB 3.19Å; D292-H294 PolarHBondContact OD1-N 2.75Å; H294-Q298 VanDerWaalsContact O-CD 3.25Å; H294-Q298 VanDerWaalsContact O-CG 3.28Å; H294-Q298 WeakPolarHBondContact O-CG 3.19Å; H294-Q298 PolarHBondContact O-NE2 2.86Å
295L97.7Very high95.9Very high0 Ų017.3 Ų17.30%010%0.099CC..Hα-helixtrans-75.2-29.2177.8-168.356.6000112.2Y136 V140 F141 M144 V291 D292 D297 Q298 I299Y136-L295 WeakPolarHBondContact OH-CB 3.36Å; Y136-L295 PolarHBondContact OH-N 2.84Å; V140-L295 HydrophobicContact CG1-CD2 3.84Å; F141-L295 HydrophobicContact CB-CD1 4.23Å; F141-L295 HydrophobicContact CD2-CD1 3.92Å; M144-L295 HydrophobicContact CB-CD1 4.24Å; M144-L295 HydrophobicContact CB-CD2 3.77Å; M144-L295 HydrophobicContact CB-CG 4.44Å; M144-L295 HydrophobicContact CE-CD2 4Å; M144-L295 HydrophobicContact CG-CD1 4.3Å; M144-L295 HydrophobicContact CG-CD2 3.82Å; M144-L295 HydrophobicContact CG-CG 4.21Å; V291-L295 HydrophobicContact CB-CB 4.17Å; V291-L295 HydrophobicContact CB-CD2 4.16Å; V291-L295 HydrophobicContact CB-CG 4.29Å; V291-L295 HydrophobicContact CG1-CD2 3.86Å; V291-L295 HydrophobicContact CG1-CG 4.1Å; D292-L295 PolarHBondContact O-N 3.26Å; D292-L295 PolarHBondContact OD1-N 2.65Å; L295-D297 PolarHBondContact O-N 2.79Å; L295-Q298 HydrophobicContact CD1-CB 4.39Å; L295-Q298 WeakPolarHBondContact O-CB 2.99Å; L295-Q298 PolarHBondContact O-N 3.11Å; L295-I299 HydrophobicContact CD1-CG2 4.1Å; L295-I299 HydrophobicContact CG-CG2 4.07Å; L295-I299 PolarHBondContact O-N 3.3Å
296Q97.6Very high96.1Very high2 Ų216.1 Ų16.11%0.0099%0.091CC..Hα-helixtrans-48.1-53.4-177.9-77.7179.438.900113.2V291 D292 Q298 I299 I300 A314 E316 T321V291-Q296 HydrophobicContact CG2-CG 3.73Å; D292-Q296 WeakPolarHBondContact O-CG 3.39Å; D292-Q296 PolarHBondContact O-N 3.47Å; D292-Q296 VanDerWaalsContact O-N 3.08Å; Q296-Q298 VanDerWaalsContact C-N 3.3Å; Q296-Q298 PolarHBondContact O-N 2.95Å; Q296-I299 VanDerWaalsContact O-CG1 3.23Å; Q296-I299 WeakPolarHBondContact O-CG1 3.33Å; Q296-I300 WeakPolarHBondContact O-CG1 3.02Å; Q296-A314 HydrophobicContact CG-CB 3.79Å; Q296-E316 PolarHBondContact NE2-O 3.07Å; Q296-E316 PolarHBondContact OE1-O 3.44Å; Q296-T321 HydrophobicContact CB-CG2 4.16Å; Q296-T321 VanDerWaalsContact CB-OG1 3.27Å; Q296-T321 WeakPolarHBondContact CB-OG1 3.25Å; Q296-T321 PolarHBondContact OE1-OG1 2.88Å; Q296-T321 VanDerWaalsContact OE1-OG1 3.11Å
297D97.5Very high96.4Very high13 Ų1313.6 Ų13.67%0.078%0.075CC..Hα-helixtrans-73.6-25.3-176.967.6-83.3000112.6Q19 L295 H320 A324Q19-D297 PolarHBondContact NE2-O 3.29Å; Q19-D297 PolarHBondContact NE2-OD2 2.85Å; L295-D297 PolarHBondContact O-N 2.79Å; D297-H320 HydrophobicContact CB-CB 3.88Å; D297-A324 HydrophobicContact CB-CB 4.38Å
298Q97.8Very high97.1Very high13 Ų1314.1 Ų14.16%0.0618%0.084CC..Hα-helixtrans-74.1-28.2-177.6-57.8175.930.200112.4Q105 F141 H294 L295 Q296 F302Q105-Q298 VanDerWaalsContact NE2-CG 3.31Å; F141-Q298 HydrophobicContact CD2-CB 4.04Å; F141-Q298 HydrophobicContact CE2-CB 3.98Å; H294-Q298 VanDerWaalsContact O-CD 3.25Å; H294-Q298 VanDerWaalsContact O-CG 3.28Å; H294-Q298 WeakPolarHBondContact O-CG 3.19Å; H294-Q298 PolarHBondContact O-NE2 2.86Å; L295-Q298 HydrophobicContact CD1-CB 4.39Å; L295-Q298 WeakPolarHBondContact O-CB 2.99Å; L295-Q298 PolarHBondContact O-N 3.11Å; Q296-Q298 VanDerWaalsContact C-N 3.3Å; Q296-Q298 PolarHBondContact O-N 2.95Å; Q298-F302 WeakPolarHBondContact O-CD2 3.48Å; Q298-F302 WeakPolarHBondContact O-CE2 3.47Å
299I98.4Very high97.6Very high0 Ų016.3 Ų16.30%09%0.094CC..Hα-helixtrans-86.4-15-179.461.5156.5000113.8M144 V291 L295 Q296 I301 F302 M303 V312M144-I299 HydrophobicContact CG-CG2 3.55Å; V291-I299 HydrophobicContact CG1-CD1 3.92Å; L295-I299 HydrophobicContact CD1-CG2 4.1Å; L295-I299 HydrophobicContact CG-CG2 4.07Å; L295-I299 PolarHBondContact O-N 3.3Å; Q296-I299 VanDerWaalsContact O-CG1 3.23Å; Q296-I299 WeakPolarHBondContact O-CG1 3.33Å; I299-I301 VanDerWaalsContact C-N 3.33Å; I299-I301 PolarHBondContact O-N 3.4Å; I299-F302 PolarHBondContact O-N 3.13Å; I299-M303 HydrophobicContact CD1-SD 3.85Å; I299-M303 HydrophobicContact CG1-SD 4.33Å; I299-M303 PolarHBondContact O-N 3.37Å; I299-V312 HydrophobicContact CD1-CB 4.08Å; I299-V312 HydrophobicContact CD1-CG1 3.85Å; I299-V312 HydrophobicContact CD1-CG2 3.87Å
300I98.7Very high97.8Very high0 Ų016.2 Ų16.20%09%0.093CC..Hα-helixtrans-57.1-44.7-174.6-64.3-55.2000112M23 Q296 F302 M303 A304 T321 A324 I325 A328 F336 I348M23-I300 HydrophobicContact CE-CG2 4.49Å; Q296-I300 WeakPolarHBondContact O-CG1 3.02Å; I300-F302 VanDerWaalsContact C-N 3.27Å; I300-F302 PolarHBondContact O-N 3.3Å; I300-M303 HydrophobicContact CD1-SD 4.4Å; I300-M303 PolarHBondContact O-N 3.04Å; I300-A304 WeakPolarHBondContact O-CB 3.23Å; I300-A304 PolarHBondContact O-N 3.39Å; I300-T321 HydrophobicContact CD1-CG2 4.03Å; I300-T321 HydrophobicContact CG1-CG2 4.22Å; I300-A324 HydrophobicContact CB-CB 3.87Å; I300-A324 HydrophobicContact CG1-CB 3.96Å; I300-A324 HydrophobicContact CG2-CB 3.93Å; I300-I325 HydrophobicContact CD1-CD1 4.21Å; I300-I325 HydrophobicContact CD1-CG1 3.9Å; I300-I325 HydrophobicContact CG1-CG1 4.21Å; I300-I325 HydrophobicContact CG2-CG1 3.98Å; I300-A328 HydrophobicContact CG2-CB 4.14Å; I300-F336 HydrophobicContact CD1-CD1 4.4Å; I300-F336 HydrophobicContact CD1-CE1 3.9Å; I300-F336 HydrophobicContact CG2-CE1 4.07Å; I300-F336 HydrophobicContact CG2-CE2 4.05Å; I300-F336 HydrophobicContact CG2-CZ 3.62Å; I300-I348 HydrophobicContact CD1-CG2 4.15Å
301I98.5Very high97.9Very high8 Ų817.4 Ų17.44%0.04110%0.1CC..Hα-helixtrans-63-36178.9-166.6161.3000112.1M23 A26 P109 I299 A304 L305M23-I301 HydrophobicContact CE-CB 3.77Å; M23-I301 HydrophobicContact CE-CD1 4.25Å; M23-I301 HydrophobicContact CE-CG1 4.15Å; M23-I301 HydrophobicContact SD-CB 3.81Å; M23-I301 HydrophobicContact SD-CD1 4.09Å; M23-I301 HydrophobicContact SD-CG1 4.38Å; A26-I301 HydrophobicContact CB-CD1 3.64Å; P109-I301 HydrophobicContact CB-CD1 3.76Å; P109-I301 HydrophobicContact CB-CG1 4.28Å; P109-I301 HydrophobicContact CB-CG2 4.34Å; P109-I301 HydrophobicContact CG-CD1 3.98Å; P109-I301 HydrophobicContact CG-CG2 3.88Å; I299-I301 VanDerWaalsContact C-N 3.33Å; I299-I301 PolarHBondContact O-N 3.4Å; I301-A304 PolarHBondContact O-N 3.21Å; I301-L305 HydrophobicContact CG1-CD1 3.78Å; I301-L305 HydrophobicContact CG1-CG 4.37Å; I301-L305 WeakPolarHBondContact O-CB 3.4Å; I301-L305 WeakPolarHBondContact O-CD1 3.41Å; I301-L305 WeakPolarHBondContact O-CG 3.35Å; I301-L305 PolarHBondContact O-N 3.31Å
302F98.7Very high97.9Very high3 Ų317.3 Ų17.31%0.01310%0.099CC..Hα-helixtrans-72.5-38.8178.8-59-85.5000111.4L108 P109 I112 F141 I145 F148 V150 L179 Q298 I299 I300 A304 L305 A306L108-F302 HydrophobicContact CD2-CZ 4.5Å; P109-F302 HydrophobicContact CG-CZ 4.14Å; I112-F302 HydrophobicContact CD1-CD1 4.38Å; I112-F302 HydrophobicContact CD1-CE1 4.09Å; F141-F302 AromaticContact CE2-CE2 3.95Å; F141-F302 HydrophobicContact CE2-CE2 3.95Å; F141-F302 HydrophobicContact CE2-CZ 4.47Å; F141-F302 AromaticContact CZ-CE2 3.86Å; F141-F302 HydrophobicContact CZ-CE2 3.86Å; F141-F302 AromaticContact CZ-CZ 3.92Å; F141-F302 HydrophobicContact CZ-CZ 3.92Å; I145-F302 HydrophobicContact CG2-CD2 4.27Å; I145-F302 HydrophobicContact CG2-CE2 4.03Å; I145-F302 HydrophobicContact CG2-CZ 4.18Å; F148-F302 HydrophobicContact CD1-CB 3.84Å; F148-F302 HydrophobicContact CD2-CB 4.34Å; F148-F302 HydrophobicContact CE1-CB 3.91Å; F148-F302 HydrophobicContact CE2-CB 4.39Å; F148-F302 HydrophobicContact CG-CB 4.06Å; F148-F302 HydrophobicContact CZ-CB 4.18Å; V150-F302 HydrophobicContact CG2-CD1 4.43Å; V150-F302 HydrophobicContact CG2-CE1 4.37Å; L179-F302 HydrophobicContact CD1-CD1 4.19Å; L179-F302 HydrophobicContact CD2-CD1 4.22Å; Q298-F302 WeakPolarHBondContact O-CD2 3.48Å; Q298-F302 WeakPolarHBondContact O-CE2 3.47Å; I299-F302 PolarHBondContact O-N 3.13Å; I300-F302 VanDerWaalsContact C-N 3.27Å; I300-F302 PolarHBondContact O-N 3.3Å; F302-A304 VanDerWaalsContact C-N 3.34Å; F302-L305 PolarHBondContact O-N 3.16Å; F302-A306 WeakPolarHBondContact O-CB 3.43Å; F302-A306 PolarHBondContact O-N 3.02Å
303M98.8Very high97.8Very high0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-61.9-42.1172.1-66.8176.468.400112.1F148 I299 I300 L305 S310 V312 F336 I348 C350F148-M303 HydrophobicContact CE1-CG 3.97Å; F148-M303 HydrophobicContact CZ-CG 3.84Å; I299-M303 HydrophobicContact CD1-SD 3.85Å; I299-M303 HydrophobicContact CG1-SD 4.33Å; I299-M303 PolarHBondContact O-N 3.37Å; I300-M303 HydrophobicContact CD1-SD 4.4Å; I300-M303 PolarHBondContact O-N 3.04Å; M303-L305 VanDerWaalsContact C-N 3.35Å; M303-S310 WeakPolarHBondContact CE-O 3.45Å; M303-V312 HydrophobicContact CE-CG2 4.23Å; M303-V312 HydrophobicContact SD-CG2 4.03Å; M303-F336 HydrophobicContact CB-CE1 4.13Å; M303-F336 HydrophobicContact CB-CZ 4.19Å; M303-F336 HydrophobicContact CE-CE1 4.15Å; M303-F336 HydrophobicContact SD-CE1 4.3Å; M303-I348 HydrophobicContact CE-CG2 4.13Å; M303-I348 WeakPolarHBondContact CE-O 3.45Å; M303-C350 HydrophobicContact CE-CB 4.47Å
304A98.6Very high97.8Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-69.4-32.2-17900000112.7I300 I301 F302 A328 L332 V334 F336 G352 C353I300-A304 WeakPolarHBondContact O-CB 3.23Å; I300-A304 PolarHBondContact O-N 3.39Å; I301-A304 PolarHBondContact O-N 3.21Å; F302-A304 VanDerWaalsContact C-N 3.34Å; A304-A328 HydrophobicContact CB-CB 4.11Å; A304-L332 HydrophobicContact CB-CD1 3.47Å; A304-L332 VanDerWaalsContact CB-CD1 3.47Å; A304-V334 HydrophobicContact CB-CG2 3.97Å; A304-F336 HydrophobicContact CB-CE2 4.04Å; A304-F336 HydrophobicContact CB-CZ 4.01Å; A304-G352 CarbonylContact O-C 3.51Å; A304-G352 VanDerWaalsContact O-CA 3.23Å; A304-G352 WeakPolarHBondContact O-CA 3.4Å; A304-C353 PolarHBondContact O-N 3.49Å; A304-C353 PolarHBondContact O-SG 3.18Å; A304-C353 VanDerWaalsContact O-SG 3.35Å
305L98.3Very high97.7Very high0 Ų014.3 Ų14.30%08%0.083CC..Hα-helixtrans-86.6-22.1-180-68.7168.9000113.7L30 F113 L179 I301 F302 M303 L332 G354 Y355L30-L305 HydrophobicContact CD1-CD1 3.57Å; L30-L305 HydrophobicContact CD1-CD2 3.95Å; L30-L305 HydrophobicContact CD1-CG 4.43Å; F113-L305 HydrophobicContact CE2-CD1 4.26Å; L179-L305 HydrophobicContact CD1-CB 3.64Å; L179-L305 HydrophobicContact CD1-CD1 4.41Å; I301-L305 HydrophobicContact CG1-CD1 3.78Å; I301-L305 HydrophobicContact CG1-CG 4.37Å; I301-L305 WeakPolarHBondContact O-CB 3.4Å; I301-L305 WeakPolarHBondContact O-CD1 3.41Å; I301-L305 WeakPolarHBondContact O-CG 3.35Å; I301-L305 PolarHBondContact O-N 3.31Å; F302-L305 PolarHBondContact O-N 3.16Å; M303-L305 VanDerWaalsContact C-N 3.35Å; L305-L332 HydrophobicContact CD2-CD1 4.11Å; L305-L332 HydrophobicContact CD2-CD2 3.72Å; L305-L332 HydrophobicContact CG-CD1 4.29Å; L305-G354 PolarHBondContact O-N 3.32Å; L305-Y355 HydrophobicContact CD2-CG 4.08Å; L305-Y355 PolarHBondContact O-N 3.45Å
306A98.3Very high97.5Very high0 Ų022.3 Ų22.30%012%0.121CC..SBendtrans-62.3150.3-177.400000113.7L179 C181 F302 G352 G354L179-A306 HydrophobicContact CB-CB 4.05Å; C181-A306 HydrophobicContact CB-CB 4.36Å; F302-A306 WeakPolarHBondContact O-CB 3.43Å; F302-A306 PolarHBondContact O-N 3.02Å; A306-G352 CarbonylContact O-C 3.57Å; A306-G352 VanDerWaalsContact O-CA 3.25Å; A306-G352 WeakPolarHBondContact O-CA 3.4Å; A306-G354 WeakPolarHBondContact O-CA 3.29Å; A306-G354 PolarHBondContact O-N 3.05Å; A306-G354 VanDerWaalsContact O-N 3.09Å
307E95.1Very high97.5Very high84 Ų8423.1 Ų23.139%0.39313%0.125SC..BIsolated β-bridgetrans-81.3122.8170.3-170.9171.7-137.300109.2M178 L179 C181 K356M178-E307 HydrophobicContact CE-CB 3.71Å; M178-E307 HydrophobicContact CE-CG 4.36Å; M178-E307 WeakPolarHBondContact CE-OE2 3.36Å; L179-E307 PolarHBondContact O-N 3.33Å; C181-E307 VanDerWaalsContact CB-O 3.32Å; C181-E307 WeakPolarHBondContact CB-O 3.48Å; E307-K356 WeakPolarHBondContact OE1-CE 3.44Å; E307-K356 IonicContact OE1-NZ 3.86Å; E307-K356 PolarHBondContact OE1-NZ 2.75Å; E307-K356 IonicContact OE2-NZ 3.44Å
308G97.8Very high97.4Very high32 Ų3224 Ų2433%0.3313%0.131SC..SBendtrans96.3-168.2-178.500000114.2G352G308-G352 PolarHBondContact O-N 2.62Å
309T98.6Very high97.2Very high68 Ų6827.4 Ų27.442%0.41715%0.149SC..EExtended strand (participates in β ladder)trans-96.1119.5-175.5-54.60000111.1C181 C350 T351C181-T309 WeakPolarHBondContact CB-O 3.38Å; T309-C350 CarbonylContact C-O 3.59Å; T309-C350 WeakPolarHBondContact CA-O 3.2Å; T309-T351 PolarHBondContact OG1-OG1 3.18Å
310S98.8Very high97.1Very high0 Ų031 Ų310%017%0.166CC..EExtended strand (participates in β ladder)trans-95.8135.2168.9-62.50000110.6C181 V182 M303 S349 C350C181-S310 WeakPolarHBondContact CA-OG 3.38Å; C181-S310 WeakPolarHBondContact CB-OG 3.35Å; V182-S310 PolarHBondContact N-OG 3.49Å; V182-S310 CarbonylContact O-C 3.59Å; V182-S310 WeakPolarHBondContact O-CA 3.5Å; M303-S310 WeakPolarHBondContact CE-O 3.45Å; S310-S349 CarbonylContact O-C 3.49Å; S310-S349 VanDerWaalsContact O-CA 3.26Å; S310-S349 WeakPolarHBondContact O-CA 3.44Å; S310-C350 PolarHBondContact N-O 3.03Å; S310-C350 PolarHBondContact O-N 2.89Å
311T98.4Very high97Very high24 Ų2431 Ų3115%0.14717%0.166CC..EExtended strand (participates in β ladder)trans-131.8126.3171.2-59.50000109.9V182 T183 L184 L185 L347 I348 S349V182-T311 PolarHBondContact O-N 3.24Å; T183-T311 CarbonylContact C-O 3.54Å; T183-T311 WeakPolarHBondContact CA-O 3.32Å; L184-T311 PolarHBondContact N-O 3.22Å; L185-T311 HydrophobicContact CD2-CG2 3.58Å; T311-L347 HydrophobicContact CG2-CB 4.34Å; T311-L347 HydrophobicContact CG2-CD2 4.48Å; T311-I348 CarbonylContact C-O 3.54Å; T311-I348 WeakPolarHBondContact CA-O 3.35Å; T311-S349 VanDerWaalsContact CG2-OG 3.26Å; T311-S349 WeakPolarHBondContact CG2-OG 3.46Å; T311-S349 PolarHBondContact OG1-OG 2.81Å
312V98Very high97Very high0 Ų035.7 Ų35.70%019%0.186CC..EExtended strand (participates in β ladder)trans-130.5129.7-178.7-178.90000110.2V182 L184 C290 V291 I299 M303 I348V182-V312 HydrophobicContact CG2-CG2 3.87Å; L184-V312 HydrophobicContact CB-CG1 4.36Å; L184-V312 HydrophobicContact CB-CG2 4.35Å; L184-V312 HydrophobicContact CD1-CG1 4.36Å; L184-V312 HydrophobicContact CD1-CG2 4.03Å; L184-V312 HydrophobicContact CG-CG2 4.21Å; C290-V312 HydrophobicContact CB-CG1 4.47Å; V291-V312 HydrophobicContact CB-CG1 4.42Å; V291-V312 HydrophobicContact CG1-CG1 3.72Å; V291-V312 HydrophobicContact CG2-CG1 3.79Å; I299-V312 HydrophobicContact CD1-CB 4.08Å; I299-V312 HydrophobicContact CD1-CG1 3.85Å; I299-V312 HydrophobicContact CD1-CG2 3.87Å; M303-V312 HydrophobicContact CE-CG2 4.23Å; M303-V312 HydrophobicContact SD-CG2 4.03Å; V312-I348 PolarHBondContact N-O 2.61Å; V312-I348 PolarHBondContact O-N 3.19Å
313R96.5Very high96.8Very high42 Ų4235.5 Ų35.516%0.15819%0.185CC..EExtended strand (participates in β ladder)trans-83.3128.4172.4-169.9174.1-176.5-166.5-2.3111.2L184 L185 C290 D341 T343 N346 L347L184-R313 PolarHBondContact O-N 3.22Å; L185-R313 WeakPolarHBondContact O-CD 3.39Å; L185-R313 PolarHBondContact O-NH1 3.12Å; L185-R313 VanDerWaalsContact O-NH1 3.16Å; C290-R313 PolarHBondContact N-O 3.44Å; R313-D341 IonicContact CZ-OD2 2.8Å; R313-D341 IonicContact NE-OD2 3.5Å; R313-D341 PolarHBondContact NE-OD2 2.82Å; R313-D341 IonicContact NH2-OD2 2.71Å; R313-T343 PolarHBondContact NH2-OG1 3.32Å; R313-N346 CarbonylContact C-O 3.56Å; R313-N346 WeakPolarHBondContact CA-O 3.3Å; R313-L347 HydrophobicContact CB-CD2 3.73Å; R313-L347 HydrophobicContact CG-CD2 3.92Å
314A96.2Very high96.8Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-130.9166.7179.900000110.8V291 Q296 G345 N346 I348V291-A314 HydrophobicContact CG2-CB 3.68Å; Q296-A314 HydrophobicContact CG-CB 3.79Å; A314-G345 CarbonylContact O-C 3.46Å; A314-G345 WeakPolarHBondContact O-CA 3.3Å; A314-N346 PolarHBondContact N-O 2.63Å; A314-N346 PolarHBondContact O-N 3.33Å; A314-I348 HydrophobicContact CB-CD1 4.07Å
315G94.3Very high96.8Very high11 Ų1136.1 Ų36.111%0.11319%0.188CC..SBendtrans-75.5-141.5166.400000111.7C287 I317 N346C287-G315 VanDerWaalsContact SG-CA 3.57Å; G315-I317 PolarHBondContact O-N 3.09Å; G315-N346 PolarHBondContact O-ND2 3Å
316E93.7Very high96.7Very high169 Ų16939.9 Ų39.979%0.7920%0.203SC*.SBendtrans-58.5134.8174.6-172.5-176.4172.400111.7Q296 T318Q296-E316 PolarHBondContact NE2-O 3.07Å; Q296-E316 PolarHBondContact OE1-O 3.44Å; E316-T318 PolarHBondContact O-N 3.28Å
317I95.7Very high96.6Very high18 Ų1839.9 Ų39.99%0.09220%0.203CC..  trans-75.8114.2178.9-56.6-57.2000110.7G315 T321 K322 I338 N346 I348G315-I317 PolarHBondContact O-N 3.09Å; I317-T321 HydrophobicContact CG2-CG2 4.15Å; I317-K322 HydrophobicContact CG2-CG 3.85Å; I317-I338 HydrophobicContact CD1-CG2 4.23Å; I317-I338 HydrophobicContact CG1-CD1 4.32Å; I317-I338 HydrophobicContact CG1-CG2 3.86Å; I317-I338 HydrophobicContact CG2-CD1 4.06Å; I317-N346 HydrophobicContact CD1-CB 3.66Å; I317-N346 HydrophobicContact CG1-CB 3.92Å; I317-I348 HydrophobicContact CD1-CD1 3.68Å; I317-I348 HydrophobicContact CD1-CG1 3.74Å
318T95.7Very high96.7Very high31 Ų3135.9 Ų35.919%0.1918%0.184CC..  trans-72.9159.8-179.183.10000113S293 E316 H320 T321 K322S293-T318 VanDerWaalsContact O-CG2 3.28Å; S293-T318 WeakPolarHBondContact O-CG2 3.01Å; E316-T318 PolarHBondContact O-N 3.28Å; T318-H320 PolarHBondContact O-N 3.36Å; T318-H320 PolarHBondContact OG1-N 3.02Å; T318-T321 WeakPolarHBondContact O-CB 3.28Å; T318-T321 PolarHBondContact O-N 3.37Å; T318-T321 PolarHBondContact OG1-N 3.22Å; T318-T321 PolarHBondContact OG1-OG1 2.92Å; T318-K322 PolarHBondContact O-N 3.43Å; T318-K322 VanDerWaalsContact O-N 3.1Å
319L95.1Very high96.7Very high85 Ų8537 Ų3745%0.44518%0.181SC..Hα-helixtrans-61.8-32.4172.3-173.162.7000112.4L14 E15 K322 T323L14-L319 HydrophobicContact CB-CD1 4.14Å; L14-L319 HydrophobicContact CD2-CD1 3.95Å; E15-L319 HydrophobicContact CB-CD2 3.95Å; E15-L319 HydrophobicContact CB-CG 4.04Å; L319-K322 PolarHBondContact O-N 3.38Å; L319-T323 WeakPolarHBondContact O-CB 3.3Å; L319-T323 PolarHBondContact O-N 2.9Å; L319-T323 PolarHBondContact O-OG1 3Å
320H95.2Very high96.6Very high76 Ų7636 Ų3635%0.35217%0.172SC..Hα-helixtrans-67.4-38.3175.5-63.491.9000111D297 T318 T323 A324D297-H320 HydrophobicContact CB-CB 3.88Å; T318-H320 PolarHBondContact O-N 3.36Å; T318-H320 PolarHBondContact OG1-N 3.02Å; H320-T323 WeakPolarHBondContact O-CB 3.42Å; H320-T323 PolarHBondContact O-N 3.45Å; H320-A324 PolarHBondContact O-N 2.91Å
321T97.4Very high96.5Very high0 Ų036 Ų360%017%0.173CC..Hα-helixtrans-62.5-48.6175.4-47.40000110.7Q296 I300 I317 T318 T323 A324 I325 I348Q296-T321 HydrophobicContact CB-CG2 4.16Å; Q296-T321 VanDerWaalsContact CB-OG1 3.27Å; Q296-T321 WeakPolarHBondContact CB-OG1 3.25Å; Q296-T321 PolarHBondContact OE1-OG1 2.88Å; Q296-T321 VanDerWaalsContact OE1-OG1 3.11Å; I300-T321 HydrophobicContact CD1-CG2 4.03Å; I300-T321 HydrophobicContact CG1-CG2 4.22Å; I317-T321 HydrophobicContact CG2-CG2 4.15Å; T318-T321 WeakPolarHBondContact O-CB 3.28Å; T318-T321 PolarHBondContact O-N 3.37Å; T318-T321 PolarHBondContact OG1-N 3.22Å; T318-T321 PolarHBondContact OG1-OG1 2.92Å; T321-T323 VanDerWaalsContact C-N 3.25Å; T321-T323 PolarHBondContact O-N 3.03Å; T321-A324 PolarHBondContact O-N 2.86Å; T321-I325 HydrophobicContact CG2-CD1 4.18Å; T321-I325 WeakPolarHBondContact O-CG1 3.42Å; T321-I325 PolarHBondContact O-N 2.76Å; T321-I348 HydrophobicContact CG2-CD1 4.04Å
322K97.2Very high96.4Very high106 Ų10635 Ų3546%0.46117%0.166SC..Hα-helixtrans-58.2-39.5175.7-65179.7-175.3179.70111.9I317 T318 L319 I325 Y326I317-K322 HydrophobicContact CG2-CG 3.85Å; T318-K322 PolarHBondContact O-N 3.43Å; T318-K322 VanDerWaalsContact O-N 3.1Å; L319-K322 PolarHBondContact O-N 3.38Å; K322-I325 PolarHBondContact O-N 2.92Å; K322-Y326 WeakPolarHBondContact O-CB 3.35Å; K322-Y326 PolarHBondContact O-N 3.32Å
323T95.8Very high96.3Very high0 Ų041.8 Ų41.80%020%0.196CC..Hα-helixtrans-65.9-43.8177.7-56.50000111.9L14 E15 Q19 I20 L319 H320 T321 Y326 V327L14-T323 HydrophobicContact CB-CG2 4.49Å; L14-T323 VanDerWaalsContact CB-OG1 3.23Å; L14-T323 WeakPolarHBondContact CB-OG1 3.49Å; E15-T323 HydrophobicContact CG-CG2 3.85Å; E15-T323 WeakPolarHBondContact CG-OG1 3.2Å; E15-T323 PolarHBondContact N-OG1 2.96Å; Q19-T323 HydrophobicContact CB-CG2 4.05Å; Q19-T323 HydrophobicContact CG-CG2 4.26Å; I20-T323 HydrophobicContact CB-CG2 4.41Å; I20-T323 HydrophobicContact CD1-CG2 3.93Å; I20-T323 HydrophobicContact CG1-CG2 3.19Å; L319-T323 WeakPolarHBondContact O-CB 3.3Å; L319-T323 PolarHBondContact O-N 2.9Å; L319-T323 PolarHBondContact O-OG1 3Å; H320-T323 WeakPolarHBondContact O-CB 3.42Å; H320-T323 PolarHBondContact O-N 3.45Å; T321-T323 VanDerWaalsContact C-N 3.25Å; T321-T323 PolarHBondContact O-N 3.03Å; T323-Y326 PolarHBondContact O-N 3.44Å; T323-V327 PolarHBondContact O-N 2.8Å
324A97.8Very high96.3Very high0 Ų040.6 Ų40.60%019%0.193CC..Hα-helixtrans-63.6-43.4176.900000111.6Q19 M23 D297 I300 H320 T321 V327 A328Q19-A324 HydrophobicContact CG-CB 4.17Å; M23-A324 HydrophobicContact CE-CB 4.45Å; M23-A324 HydrophobicContact CG-CB 4.35Å; M23-A324 HydrophobicContact SD-CB 4.38Å; D297-A324 HydrophobicContact CB-CB 4.38Å; I300-A324 HydrophobicContact CB-CB 3.87Å; I300-A324 HydrophobicContact CG1-CB 3.96Å; I300-A324 HydrophobicContact CG2-CB 3.93Å; H320-A324 PolarHBondContact O-N 2.91Å; T321-A324 PolarHBondContact O-N 2.86Å; A324-V327 PolarHBondContact O-N 3.48Å; A324-A328 WeakPolarHBondContact O-CB 3.45Å; A324-A328 PolarHBondContact O-N 3.47Å
325I98.1Very high96.4Very high13 Ų1345.3 Ų45.37%0.06722%0.218CC..Hα-helixtrans-58.8-51.8175.9-73.2171.6000110.3I300 T321 K322 V327 A328 E329 F336 I338 I348I300-I325 HydrophobicContact CD1-CD1 4.21Å; I300-I325 HydrophobicContact CD1-CG1 3.9Å; I300-I325 HydrophobicContact CG1-CG1 4.21Å; I300-I325 HydrophobicContact CG2-CG1 3.98Å; T321-I325 HydrophobicContact CG2-CD1 4.18Å; T321-I325 WeakPolarHBondContact O-CG1 3.42Å; T321-I325 PolarHBondContact O-N 2.76Å; K322-I325 PolarHBondContact O-N 2.92Å; I325-V327 VanDerWaalsContact C-N 3.29Å; I325-V327 PolarHBondContact O-N 3.34Å; I325-A328 PolarHBondContact O-N 2.73Å; I325-E329 HydrophobicContact CG2-CG 4.11Å; I325-E329 WeakPolarHBondContact O-CG 3.25Å; I325-E329 PolarHBondContact O-N 3.47Å; I325-F336 HydrophobicContact CB-CD2 4.44Å; I325-F336 HydrophobicContact CB-CG 4.4Å; I325-F336 HydrophobicContact CD1-CB 4.11Å; I325-F336 HydrophobicContact CD1-CD1 4.14Å; I325-F336 HydrophobicContact CD1-CG 4.18Å; I325-F336 HydrophobicContact CG1-CB 4.14Å; I325-F336 HydrophobicContact CG1-CD1 3.94Å; I325-F336 HydrophobicContact CG1-CD2 4.18Å; I325-F336 HydrophobicContact CG1-CE1 4.42Å; I325-F336 HydrophobicContact CG1-CG 3.82Å; I325-F336 HydrophobicContact CG2-CB 3.63Å; I325-F336 HydrophobicContact CG2-CD2 3.98Å; I325-F336 HydrophobicContact CG2-CG 3.92Å; I325-I338 HydrophobicContact CD1-CD1 3.85Å; I325-I338 HydrophobicContact CD1-CG1 4.39Å; I325-I348 HydrophobicContact CD1-CG2 4.4Å
326Y96.9Very high96.6Very high78 Ų7845.4 Ų45.431%0.30622%0.216SC..Hα-helixtrans-51.4-47.1179.8170-101.6000112.7V13 L14 K322 T323 I330V13-Y326 HydrophobicContact CB-CE1 4.4Å; V13-Y326 HydrophobicContact CG1-CD1 4.29Å; V13-Y326 HydrophobicContact CG1-CE1 3.93Å; L14-Y326 HydrophobicContact CD1-CG 4.17Å; K322-Y326 WeakPolarHBondContact O-CB 3.35Å; K322-Y326 PolarHBondContact O-N 3.32Å; T323-Y326 PolarHBondContact O-N 3.44Å; Y326-I330 HydrophobicContact CD1-CD1 4.15Å; Y326-I330 HydrophobicContact CD2-CD1 3.98Å; Y326-I330 HydrophobicContact CE1-CD1 3.62Å; Y326-I330 HydrophobicContact CE2-CD1 3.44Å; Y326-I330 VanDerWaalsContact CE2-CD1 3.44Å; Y326-I330 HydrophobicContact CG-CD1 4.31Å; Y326-I330 WeakPolarHBondContact O-CG1 3.42Å; Y326-I330 PolarHBondContact O-N 2.98Å; Y326-I330 WeakPolarHBondContact OH-CD1 3.36Å
327V96.6Very high96.8Very high0 Ų041.2 Ų41.20%020%0.198CC..Hα-helixtrans-71.4-39.1179.2-1790000111.8I20 M23 A24 T323 A324 I325 I330 M331I20-V327 HydrophobicContact CB-CG2 4.25Å; I20-V327 HydrophobicContact CG1-CG2 4.12Å; I20-V327 HydrophobicContact CG2-CG2 3.97Å; M23-V327 HydrophobicContact CB-CB 3.86Å; M23-V327 HydrophobicContact CB-CG1 3.59Å; M23-V327 HydrophobicContact CB-CG2 4.43Å; A24-V327 HydrophobicContact CB-CG1 4.13Å; T323-V327 PolarHBondContact O-N 2.8Å; A324-V327 PolarHBondContact O-N 3.48Å; I325-V327 VanDerWaalsContact C-N 3.29Å; I325-V327 PolarHBondContact O-N 3.34Å; V327-I330 PolarHBondContact O-N 2.91Å; V327-M331 HydrophobicContact CG1-CG 3.97Å; V327-M331 VanDerWaalsContact O-CB 3.31Å; V327-M331 WeakPolarHBondContact O-CB 3.48Å; V327-M331 WeakPolarHBondContact O-CG 3.2Å; V327-M331 PolarHBondContact O-N 2.86Å
328A97.6Very high96.9Very high0 Ų043.8 Ų43.80%021%0.211CC..Hα-helixtrans-60.8-45.7177.100000111.6M23 I300 A304 A324 I325 I330 M331 L332 F336M23-A328 HydrophobicContact CE-CB 4.05Å; I300-A328 HydrophobicContact CG2-CB 4.14Å; A304-A328 HydrophobicContact CB-CB 4.11Å; A324-A328 WeakPolarHBondContact O-CB 3.45Å; A324-A328 PolarHBondContact O-N 3.47Å; I325-A328 PolarHBondContact O-N 2.73Å; A328-I330 PolarHBondContact O-N 2.93Å; A328-M331 PolarHBondContact O-N 3.23Å; A328-L332 HydrophobicContact CB-CD1 4.47Å; A328-L332 WeakPolarHBondContact O-CA 3.49Å; A328-L332 VanDerWaalsContact O-CB 3.29Å; A328-L332 WeakPolarHBondContact O-CB 3.34Å; A328-L332 PolarHBondContact O-N 3.37Å; A328-F336 HydrophobicContact CB-CE2 3.98Å
329E97.6Very high96.9Very high56 Ų5647.6 Ų47.626%0.26223%0.227SC..Hα-helixtrans-63-41.5178.9-65-172131.900112.1I325 K333 V334 N335 F336I325-E329 HydrophobicContact CG2-CG 4.11Å; I325-E329 WeakPolarHBondContact O-CG 3.25Å; I325-E329 PolarHBondContact O-N 3.47Å; E329-K333 WeakPolarHBondContact O-CA 3.42Å; E329-K333 PolarHBondContact O-N 2.83Å; E329-V334 WeakPolarHBondContact CA-O 3.17Å; E329-V334 WeakPolarHBondContact CB-O 3.4Å; E329-V334 WeakPolarHBondContact CG-O 3.38Å; E329-N335 WeakPolarHBondContact OE1-CA 3.27Å; E329-N335 PolarHBondContact OE1-ND2 3.08Å; E329-F336 HydrophobicContact CG-CD2 4.11Å; E329-F336 PolarHBondContact OE1-N 3.46Å
330I95.4Very high96.8Very high46 Ų4648.4 Ų48.424%0.23624%0.239CC..Hα-helixtrans-66.1-47.6178.4-70.5170.3000111.5V7 I9 Y326 V327 A328 K333V7-I330 HydrophobicContact CG1-CG2 4.07Å; I9-I330 HydrophobicContact CD1-CG2 3.9Å; Y326-I330 HydrophobicContact CD1-CD1 4.15Å; Y326-I330 HydrophobicContact CD2-CD1 3.98Å; Y326-I330 HydrophobicContact CE1-CD1 3.62Å; Y326-I330 HydrophobicContact CE2-CD1 3.44Å; Y326-I330 VanDerWaalsContact CE2-CD1 3.44Å; Y326-I330 HydrophobicContact CG-CD1 4.31Å; Y326-I330 WeakPolarHBondContact O-CG1 3.42Å; Y326-I330 PolarHBondContact O-N 2.98Å; Y326-I330 WeakPolarHBondContact OH-CD1 3.36Å; V327-I330 PolarHBondContact O-N 2.91Å; A328-I330 PolarHBondContact O-N 2.93Å; I330-K333 WeakPolarHBondContact O-CE 3.19Å; I330-K333 PolarHBondContact O-NZ 3Å
331M96.7Very high96.2Very high2 Ų246.3 Ų46.31%0.0123%0.231CC..Hα-helixtrans-82-47.2-170.9-68.9-64.9-68.800112.4V7 I9 C27 L31 V35 V327 A328V7-M331 HydrophobicContact CB-SD 4.11Å; V7-M331 HydrophobicContact CG1-SD 3.83Å; V7-M331 HydrophobicContact CG2-SD 4.34Å; I9-M331 HydrophobicContact CD1-CG 4.44Å; I9-M331 HydrophobicContact CD1-SD 4.05Å; I9-M331 HydrophobicContact CG1-SD 4.49Å; C27-M331 HydrophobicContact CB-CB 3.61Å; C27-M331 HydrophobicContact CB-CE 3.82Å; C27-M331 HydrophobicContact CB-CG 3.96Å; L31-M331 WeakPolarHBondContact CD1-O 3.4Å; V35-M331 HydrophobicContact CG1-CE 3.5Å; V35-M331 HydrophobicContact CG1-SD 4.13Å; V327-M331 HydrophobicContact CG1-CG 3.97Å; V327-M331 VanDerWaalsContact O-CB 3.31Å; V327-M331 WeakPolarHBondContact O-CB 3.48Å; V327-M331 WeakPolarHBondContact O-CG 3.2Å; V327-M331 PolarHBondContact O-N 2.86Å; A328-M331 PolarHBondContact O-N 3.23Å
332L96.4Very high95.1Very high2 Ų256 Ų561%0.0128%0.276CS..Hα-helixtrans-95.4-3.3-172.9-62.7165.7000113.4L31 A304 L305 A328 V334L31-L332 HydrophobicContact CD1-CD2 3.93Å; L31-L332 HydrophobicContact CD2-CD2 3.94Å; L31-L332 HydrophobicContact CG-CD2 4.12Å; A304-L332 HydrophobicContact CB-CD1 3.47Å; A304-L332 VanDerWaalsContact CB-CD1 3.47Å; L305-L332 HydrophobicContact CD2-CD1 4.11Å; L305-L332 HydrophobicContact CD2-CD2 3.72Å; L305-L332 HydrophobicContact CG-CD1 4.29Å; A328-L332 HydrophobicContact CB-CD1 4.47Å; A328-L332 WeakPolarHBondContact O-CA 3.49Å; A328-L332 VanDerWaalsContact O-CB 3.29Å; A328-L332 WeakPolarHBondContact O-CB 3.34Å; A328-L332 PolarHBondContact O-N 3.37Å; L332-V334 HydrophobicContact CB-CG1 4.26Å; L332-V334 HydrophobicContact CB-CG2 4.29Å; L332-V334 PolarHBondContact O-N 2.96Å
333K95.6Very high93.9Very high143 Ų14354.5 Ų54.562%0.62228%0.276SS*.  trans56.430.3179.5-54.1-53.9-174.6-163.10113.9E329 I330 L362E329-K333 WeakPolarHBondContact O-CA 3.42Å; E329-K333 PolarHBondContact O-N 2.83Å; I330-K333 WeakPolarHBondContact O-CE 3.19Å; I330-K333 PolarHBondContact O-NZ 3Å; K333-L362 HydrophobicContact CG-CD1 4.37Å
334V97.7Very high92.9Very high16 Ų1659.4 Ų59.410%0.09731%0.31CS..  trans-94.2168.6171.8-610000110.5A304 E329 L332 F336 C353A304-V334 HydrophobicContact CB-CG2 3.97Å; E329-V334 WeakPolarHBondContact CA-O 3.17Å; E329-V334 WeakPolarHBondContact CB-O 3.4Å; E329-V334 WeakPolarHBondContact CG-O 3.38Å; L332-V334 HydrophobicContact CB-CG1 4.26Å; L332-V334 HydrophobicContact CB-CG2 4.29Å; L332-V334 PolarHBondContact O-N 2.96Å; V334-F336 HydrophobicContact CG2-CD2 4.22Å; V334-F336 HydrophobicContact CG2-CE2 3.81Å; V334-C353 HydrophobicContact CG1-CB 3.96Å
335N98Very high92.4Very high99 Ų9959.5 Ų59.553%0.52931%0.311SS..  trans-125.8132.3170.8179.3-113.5000110.6E329E329-N335 WeakPolarHBondContact OE1-CA 3.27Å; E329-N335 PolarHBondContact OE1-ND2 3.08Å
336F98.6Very high92.3Very high14 Ų1460 Ų606%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-99.1134172.7-79.3-99000110.5I300 M303 A304 I325 A328 E329 V334 I348 S349 C350I300-F336 HydrophobicContact CD1-CD1 4.4Å; I300-F336 HydrophobicContact CD1-CE1 3.9Å; I300-F336 HydrophobicContact CG2-CE1 4.07Å; I300-F336 HydrophobicContact CG2-CE2 4.05Å; I300-F336 HydrophobicContact CG2-CZ 3.62Å; M303-F336 HydrophobicContact CB-CE1 4.13Å; M303-F336 HydrophobicContact CB-CZ 4.19Å; M303-F336 HydrophobicContact CE-CE1 4.15Å; M303-F336 HydrophobicContact SD-CE1 4.3Å; A304-F336 HydrophobicContact CB-CE2 4.04Å; A304-F336 HydrophobicContact CB-CZ 4.01Å; I325-F336 HydrophobicContact CB-CD2 4.44Å; I325-F336 HydrophobicContact CB-CG 4.4Å; I325-F336 HydrophobicContact CD1-CB 4.11Å; I325-F336 HydrophobicContact CD1-CD1 4.14Å; I325-F336 HydrophobicContact CD1-CG 4.18Å; I325-F336 HydrophobicContact CG1-CB 4.14Å; I325-F336 HydrophobicContact CG1-CD1 3.94Å; I325-F336 HydrophobicContact CG1-CD2 4.18Å; I325-F336 HydrophobicContact CG1-CE1 4.42Å; I325-F336 HydrophobicContact CG1-CG 3.82Å; I325-F336 HydrophobicContact CG2-CB 3.63Å; I325-F336 HydrophobicContact CG2-CD2 3.98Å; I325-F336 HydrophobicContact CG2-CG 3.92Å; A328-F336 HydrophobicContact CB-CE2 3.98Å; E329-F336 HydrophobicContact CG-CD2 4.11Å; E329-F336 PolarHBondContact OE1-N 3.46Å; V334-F336 HydrophobicContact CG2-CD2 4.22Å; V334-F336 HydrophobicContact CG2-CE2 3.81Å; F336-I348 HydrophobicContact CD1-CG2 3.78Å; F336-I348 HydrophobicContact CE1-CG2 4.25Å; F336-S349 CarbonylContact C-O 3.55Å; F336-S349 WeakPolarHBondContact CA-O 3.43Å; F336-C350 HydrophobicContact CD1-CB 3.61Å; F336-C350 HydrophobicContact CD2-CB 4.21Å; F336-C350 HydrophobicContact CE1-CB 3.42Å; F336-C350 VanDerWaalsContact CE1-CB 3.42Å; F336-C350 HydrophobicContact CE2-CB 4.05Å; F336-C350 HydrophobicContact CG-CB 3.99Å; F336-C350 HydrophobicContact CZ-CB 3.64Å
337I98.3Very high92.3Very high81 Ų8158.2 Ų58.242%0.41531%0.309SS..EExtended strand (participates in β ladder)trans-111.6125.5174.2-56.4175.8000107.8Q339 S349I337-Q339 HydrophobicContact CG2-CG 3.95Å; I337-S349 PolarHBondContact N-O 3.03Å; I337-S349 PolarHBondContact O-N 3.47Å
338I97.7Very high92.4Very high71 Ų7158.2 Ų58.236%0.36431%0.309SS..EExtended strand (participates in β ladder)trans-111.6120173.8-59.2175000107.9I317 I325 N346 L347I317-I338 HydrophobicContact CD1-CG2 4.23Å; I317-I338 HydrophobicContact CG1-CD1 4.32Å; I317-I338 HydrophobicContact CG1-CG2 3.86Å; I317-I338 HydrophobicContact CG2-CD1 4.06Å; I325-I338 HydrophobicContact CD1-CD1 3.85Å; I325-I338 HydrophobicContact CD1-CG1 4.39Å; I338-N346 HydrophobicContact CG2-CB 4.2Å; I338-L347 WeakPolarHBondContact CA-O 3.38Å
339Q95.9Very high92.4Very high112 Ų11259.3 Ų59.352%0.52332%0.317SS..EExtended strand (participates in β ladder)trans-120.3128.3176.9-68.7171.9-0.500109.4I337 N346 L347I337-Q339 HydrophobicContact CG2-CG 3.95Å; Q339-N346 CarbonylContact O-C 3.35Å; Q339-N346 WeakPolarHBondContact O-CA 3.3Å; Q339-L347 PolarHBondContact N-O 3.43Å; Q339-L347 PolarHBondContact O-N 3.27Å
340S92.2Very high92.5Very high101 Ų10156.8 Ų56.871%0.70631%0.305SS*.EExtended strand (participates in β ladder)trans-61.8136167.6-57.70000109.4
341D81.8Confident92.6Very high32 Ų3258.8 Ų58.817%0.17132%0.32CS..  trans-91.2167.5167.974.731.6000111R313 T343 S344 G345R313-D341 IonicContact CZ-OD2 2.8Å; R313-D341 IonicContact NE-OD2 3.5Å; R313-D341 PolarHBondContact NE-OD2 2.82Å; R313-D341 IonicContact NH2-OD2 2.71Å; D341-T343 VanDerWaalsContact CG-OG1 3.25Å; D341-T343 PolarHBondContact O-N 3.3Å; D341-T343 VanDerWaalsContact O-N 3.09Å; D341-T343 VanDerWaalsContact OD1-C 3.26Å; D341-T343 VanDerWaalsContact OD1-CA 3.3Å; D341-T343 WeakPolarHBondContact OD1-CA 3.43Å; D341-T343 PolarHBondContact OD1-N 3.23Å; D341-T343 PolarHBondContact OD1-OG1 3.19Å; D341-T343 PolarHBondContact OD2-OG1 3.16Å; D341-S344 PolarHBondContact OD1-N 3.13Å; D341-G345 PolarHBondContact N-O 3.3Å; D341-G345 WeakPolarHBondContact OD1-CA 3.41Å; D341-G345 PolarHBondContact OD1-N 3.01Å; D341-G345 WeakPolarHBondContact OD2-CA 3.43Å
342E74.7Confident92.7Very high205 Ų20559.2 Ų59.296%0.95833%0.325SS*.THydrogen-bonded Turntrans-64.8-11.7-178.6-62.7-174.7168.700114
343T73.3Confident92.7Very high74 Ų7460.8 Ų60.845%0.45434%0.336SS..THydrogen-bonded Turntrans-113.526.8-170.756.80000113R313 D341 G345R313-T343 PolarHBondContact NH2-OG1 3.32Å; D341-T343 VanDerWaalsContact CG-OG1 3.25Å; D341-T343 PolarHBondContact O-N 3.3Å; D341-T343 VanDerWaalsContact O-N 3.09Å; D341-T343 VanDerWaalsContact OD1-C 3.26Å; D341-T343 VanDerWaalsContact OD1-CA 3.3Å; D341-T343 WeakPolarHBondContact OD1-CA 3.43Å; D341-T343 PolarHBondContact OD1-N 3.23Å; D341-T343 PolarHBondContact OD1-OG1 3.19Å; D341-T343 PolarHBondContact OD2-OG1 3.16Å; T343-G345 PolarHBondContact O-N 2.99Å
344S73.7Confident92.8Very high103 Ų10354.6 Ų54.672%0.7231%0.312SS*.SBendtrans6510.4-177.6710000115.8D341D341-S344 PolarHBondContact OD1-N 3.13Å
345G87.8Confident92.7Very high1 Ų154.4 Ų54.41%0.0131%0.309CS..  trans-87.8178.5168.400000112A314 D341 T343A314-G345 CarbonylContact O-C 3.46Å; A314-G345 WeakPolarHBondContact O-CA 3.3Å; D341-G345 PolarHBondContact N-O 3.3Å; D341-G345 WeakPolarHBondContact OD1-CA 3.41Å; D341-G345 PolarHBondContact OD1-N 3.01Å; D341-G345 WeakPolarHBondContact OD2-CA 3.43Å; T343-G345 PolarHBondContact O-N 2.99Å
346N95.6Very high92.6Very high24 Ų2453.6 Ų53.613%0.12830%0.301CS..EExtended strand (participates in β ladder)trans-133.6136.9176-63.8-85000109.5R313 A314 G315 I317 I338 Q339R313-N346 CarbonylContact C-O 3.56Å; R313-N346 WeakPolarHBondContact CA-O 3.3Å; A314-N346 PolarHBondContact N-O 2.63Å; A314-N346 PolarHBondContact O-N 3.33Å; G315-N346 PolarHBondContact O-ND2 3Å; I317-N346 HydrophobicContact CD1-CB 3.66Å; I317-N346 HydrophobicContact CG1-CB 3.92Å; I338-N346 HydrophobicContact CG2-CB 4.2Å; Q339-N346 CarbonylContact O-C 3.35Å; Q339-N346 WeakPolarHBondContact O-CA 3.3Å
347L97Very high92.4Very high41 Ų4156.8 Ų56.822%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-94.1116.7168.2-61.2-179000108.8L185 T311 R313 I338 Q339L185-L347 HydrophobicContact CD2-CD2 3.93Å; T311-L347 HydrophobicContact CG2-CB 4.34Å; T311-L347 HydrophobicContact CG2-CD2 4.48Å; R313-L347 HydrophobicContact CB-CD2 3.73Å; R313-L347 HydrophobicContact CG-CD2 3.92Å; I338-L347 WeakPolarHBondContact CA-O 3.38Å; Q339-L347 PolarHBondContact N-O 3.43Å; Q339-L347 PolarHBondContact O-N 3.27Å
348I98.3Very high91.8Very high0 Ų056 Ų560%033%0.325CS..EExtended strand (participates in β ladder)trans-95.3117.3171.5-51.9172.4000106.9I300 M303 T311 V312 A314 I317 T321 I325 F336I300-I348 HydrophobicContact CD1-CG2 4.15Å; M303-I348 HydrophobicContact CE-CG2 4.13Å; M303-I348 WeakPolarHBondContact CE-O 3.45Å; T311-I348 CarbonylContact C-O 3.54Å; T311-I348 WeakPolarHBondContact CA-O 3.35Å; V312-I348 PolarHBondContact N-O 2.61Å; V312-I348 PolarHBondContact O-N 3.19Å; A314-I348 HydrophobicContact CB-CD1 4.07Å; I317-I348 HydrophobicContact CD1-CD1 3.68Å; I317-I348 HydrophobicContact CD1-CG1 3.74Å; T321-I348 HydrophobicContact CG2-CD1 4.04Å; I325-I348 HydrophobicContact CD1-CG2 4.4Å; F336-I348 HydrophobicContact CD1-CG2 3.78Å; F336-I348 HydrophobicContact CE1-CG2 4.25Å
349S98.6Very high90.9Very high23 Ų2355.1 Ų55.116%0.16132%0.321CS..EExtended strand (participates in β ladder)trans-122.6142.3179.8-61.10000111.8S310 T311 F336 I337S310-S349 CarbonylContact O-C 3.49Å; S310-S349 VanDerWaalsContact O-CA 3.26Å; S310-S349 WeakPolarHBondContact O-CA 3.44Å; T311-S349 VanDerWaalsContact CG2-OG 3.26Å; T311-S349 WeakPolarHBondContact CG2-OG 3.46Å; T311-S349 PolarHBondContact OG1-OG 2.81Å; F336-S349 CarbonylContact C-O 3.55Å; F336-S349 WeakPolarHBondContact CA-O 3.43Å; I337-S349 PolarHBondContact N-O 3.03Å; I337-S349 PolarHBondContact O-N 3.47Å
350C98.7Very high89.4Confident3 Ų353.6 Ų53.62%0.0232%0.32CS..EExtended strand (participates in β ladder)trans-151.4130.3173.91780000109.8M303 T309 S310 F336 G352M303-C350 HydrophobicContact CE-CB 4.47Å; T309-C350 CarbonylContact C-O 3.59Å; T309-C350 WeakPolarHBondContact CA-O 3.2Å; S310-C350 PolarHBondContact N-O 3.03Å; S310-C350 PolarHBondContact O-N 2.89Å; F336-C350 HydrophobicContact CD1-CB 3.61Å; F336-C350 HydrophobicContact CD2-CB 4.21Å; F336-C350 HydrophobicContact CE1-CB 3.42Å; F336-C350 VanDerWaalsContact CE1-CB 3.42Å; F336-C350 HydrophobicContact CE2-CB 4.05Å; F336-C350 HydrophobicContact CG-CB 3.99Å; F336-C350 HydrophobicContact CZ-CB 3.64Å; C350-G352 PolarHBondContact O-N 2.83Å
351T98.6Very high87.9Confident88 Ų8856.3 Ų56.354%0.5432%0.321SS..EExtended strand (participates in β ladder)trans-80.9106.4159.6-59.60000106.9T309T309-T351 PolarHBondContact OG1-OG1 3.18Å
352G98.2Very high86.9Confident11 Ų1157.6 Ų57.611%0.11333%0.327CS..  trans-68.5164.3-177.400000111.9A304 A306 G308 C350 G354A304-G352 CarbonylContact O-C 3.51Å; A304-G352 VanDerWaalsContact O-CA 3.23Å; A304-G352 WeakPolarHBondContact O-CA 3.4Å; A306-G352 CarbonylContact O-C 3.57Å; A306-G352 VanDerWaalsContact O-CA 3.25Å; A306-G352 WeakPolarHBondContact O-CA 3.4Å; G308-G352 PolarHBondContact O-N 2.62Å; C350-G352 PolarHBondContact O-N 2.83Å; G352-G354 PolarHBondContact O-N 3.37Å
353C97Very high85.7Confident35 Ų3555.4 Ų55.424%0.23635%0.345CS..  trans-75.9-6.9-179.766.20000113.7A304 V334 L362A304-C353 PolarHBondContact O-N 3.49Å; A304-C353 PolarHBondContact O-SG 3.18Å; A304-C353 VanDerWaalsContact O-SG 3.35Å; V334-C353 HydrophobicContact CG1-CB 3.96Å; C353-L362 HydrophobicContact CB-CD2 3.76Å
354G96.7Very high86.3Confident12 Ų1254.5 Ų54.512%0.12434%0.339CS..  trans63.540.3179.600000114L305 A306 G352 K356L305-G354 PolarHBondContact O-N 3.32Å; A306-G354 WeakPolarHBondContact O-CA 3.29Å; A306-G354 PolarHBondContact O-N 3.05Å; A306-G354 VanDerWaalsContact O-N 3.09Å; G352-G354 PolarHBondContact O-N 3.37Å; G354-K356 WeakPolarHBondContact O-CG 3.35Å; G354-K356 PolarHBondContact O-N 3.13Å
355Y96.7Very high87Confident12 Ų1251.9 Ų51.95%0.04732%0.319CS..  trans-58.7127.9-179.4-176.9-89.9000111.3L30 L31 F113 L305 D359L30-Y355 HydrophobicContact CB-CE2 4.23Å; L30-Y355 HydrophobicContact CD2-CD1 4.46Å; L30-Y355 HydrophobicContact CD2-CE1 3.77Å; L30-Y355 VanDerWaalsContact O-CE2 3.25Å; L30-Y355 WeakPolarHBondContact O-CE2 3.47Å; L30-Y355 PolarHBondContact O-OH 3.21Å; L31-Y355 HydrophobicContact CD2-CD2 4.39Å; L31-Y355 HydrophobicContact CD2-CE2 4.45Å; F113-Y355 HydrophobicContact CB-CE1 3.97Å; F113-Y355 AromaticContact CD1-CD1 3.97Å; F113-Y355 HydrophobicContact CD1-CD1 3.97Å; F113-Y355 AromaticContact CD1-CE1 3.97Å; F113-Y355 HydrophobicContact CD1-CE1 3.97Å; F113-Y355 AromaticContact CD2-CD1 3.89Å; F113-Y355 HydrophobicContact CD2-CD1 3.89Å; F113-Y355 AromaticContact CD2-CE1 3.91Å; F113-Y355 HydrophobicContact CD2-CE1 3.91Å; F113-Y355 AromaticContact CE1-CD1 3.93Å; F113-Y355 HydrophobicContact CE1-CD1 3.93Å; F113-Y355 HydrophobicContact CE1-CE1 4.4Å; F113-Y355 AromaticContact CE2-CD1 3.87Å; F113-Y355 HydrophobicContact CE2-CD1 3.87Å; F113-Y355 HydrophobicContact CE2-CE1 4.37Å; F113-Y355 AromaticContact CG-CD1 3.94Å; F113-Y355 HydrophobicContact CG-CD1 3.94Å; F113-Y355 AromaticContact CG-CE1 3.69Å; F113-Y355 HydrophobicContact CG-CE1 3.69Å; F113-Y355 AromaticContact CZ-CD1 3.87Å; F113-Y355 HydrophobicContact CZ-CD1 3.87Å; L305-Y355 HydrophobicContact CD2-CG 4.08Å; L305-Y355 PolarHBondContact O-N 3.45Å; Y355-D359 HydrophobicContact CD2-CB 4.36Å; Y355-D359 HydrophobicContact CE2-CB 4.04Å
356K95.9Very high86.9Confident82 Ų8254.8 Ų54.836%0.35734%0.336SS..BIsolated β-bridgetrans-112.3149.8178.6-56.8-176.4-179.4177.10111.1D177 M178 E307 G354 G358 D359D177-K356 CarbonylContact O-C 3.55Å; D177-K356 VanDerWaalsContact O-CA 3.29Å; D177-K356 WeakPolarHBondContact O-CA 3.29Å; M178-K356 HydrophobicContact CB-CG 4.42Å; E307-K356 WeakPolarHBondContact OE1-CE 3.44Å; E307-K356 IonicContact OE1-NZ 3.86Å; E307-K356 PolarHBondContact OE1-NZ 2.75Å; E307-K356 IonicContact OE2-NZ 3.44Å; G354-K356 WeakPolarHBondContact O-CG 3.35Å; G354-K356 PolarHBondContact O-N 3.13Å; K356-G358 PolarHBondContact O-N 3.17Å; K356-D359 WeakPolarHBondContact CA-OD2 3.37Å; K356-D359 WeakPolarHBondContact CB-OD2 3.41Å; K356-D359 PolarHBondContact N-OD2 2.73Å; K356-D359 VanDerWaalsContact O-CB 3.24Å; K356-D359 WeakPolarHBondContact O-CB 3.27Å; K356-D359 PolarHBondContact O-N 2.79Å
357R94.2Very high86.4Confident82 Ų8256.6 Ų56.631%0.30935%0.349SS..THydrogen-bonded Turntrans-61.6123177.5-175.2172.4179-145.13.2110.6F113 A114 K115 P175 I176 D177F113-R357 HydrophobicContact CD1-CB 4.06Å; A114-R357 PolarHBondContact O-NE 2.91Å; A114-R357 PolarHBondContact O-NH2 3.02Å; K115-R357 PolarHBondContact O-NH2 3.47Å; P175-R357 VanDerWaalsContact CB-CZ 3.44Å; I176-R357 VanDerWaalsContact O-CD 3.3Å; I176-R357 WeakPolarHBondContact O-CD 3.41Å; D177-R357 PolarHBondContact O-N 3.39Å; D177-R357 IonicContact OD1-NH1 3.81Å
358G84.9Confident85.7Confident65 Ų6557.6 Ų57.667%0.6736%0.357SS*.THydrogen-bonded Turntrans97.3-7.3-178.300000113.6K356 T360K356-G358 PolarHBondContact O-N 3.17Å; G358-T360 PolarHBondContact O-N 3Å
359D79.5Confident84.9Confident52 Ų5261.4 Ų61.428%0.27838%0.381SS..  trans-60134.9171-69.6-8.2000109.9Y355 K356Y355-D359 HydrophobicContact CD2-CB 4.36Å; Y355-D359 HydrophobicContact CE2-CB 4.04Å; K356-D359 WeakPolarHBondContact CA-OD2 3.37Å; K356-D359 WeakPolarHBondContact CB-OD2 3.41Å; K356-D359 PolarHBondContact N-OD2 2.73Å; K356-D359 VanDerWaalsContact O-CB 3.24Å; K356-D359 WeakPolarHBondContact O-CB 3.27Å; K356-D359 PolarHBondContact O-N 2.79Å
360T64.9Low83.9Confident80 Ų8064.1 Ų64.149%0.49140%0.396SS..SBendtrans-105.5-13.317456.90000112.7K32 G358K32-T360 HydrophobicContact CD-CG2 4.26Å; G358-T360 PolarHBondContact O-N 3Å
361E60.9Low82.8Confident157 Ų15768.8 Ų68.873%0.73443%0.425SS*.SBendtrans-146156.5179.7-64.4-174.1168.400109.3
362L59Low81.5Confident59 Ų5967.3 Ų67.331%0.30942%0.416SS..  trans-68.9138.7170.9-68.9166.7000109L31 K333 C353L31-L362 HydrophobicContact CD1-CD1 4.42Å; L31-L362 HydrophobicContact CD2-CD1 4.17Å; L31-L362 HydrophobicContact CD2-CD2 3.64Å; L31-L362 HydrophobicContact CD2-CG 3.72Å; K333-L362 HydrophobicContact CG-CD1 4.37Å; C353-L362 HydrophobicContact CB-CD2 3.76Å
363A49.7Very low79.9Confident160 Ų16072.4 Ų72.4100%1.32244%0.443SS*.  trans-64.30179.200000114

Retrieved 363 of 363 residues in 487.8 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).