A0A093JFD4_STRCA Loading...

carbonyl reductase (NADPH)

AlphaFold DB , UniProt , Accession A0A093JFD4, Species STRCA (Struthio camelus australis), Gene n/a, Length 276 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.9Low93.1Very high176 Ų17642.9 Ų42.987%0.86726%0.259SS*.  0135.60-70.2176.9-113.600108.7G81M1-G81 WeakPolarHBondContact SD-CA 3.36Å
2S79.8Confident93.5Very high38 Ų3839.3 Ų39.327%0.26624%0.238SC..  trans-66.8139.6177.1-176.90000111.4I4 K79S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 WeakPolarHBondContact OG-CB 3.35Å; S2-I4 WeakPolarHBondContact OG-CG1 3.24Å; S2-I4 PolarHBondContact OG-N 2.96Å; S2-I4 VanDerWaalsContact OG-N 3.16Å; S2-K79 WeakPolarHBondContact CB-O 3.49Å; S2-K79 PolarHBondContact N-O 2.78Å
3S88.9Confident93.9Very high115 Ų11538.9 Ų38.980%0.80423%0.233SC*.  trans-84.5-8.2170.5560000113.1
4I96.8Very high94.3Very high75 Ų7543.3 Ų43.339%0.38525%0.248SC..SBendtrans-66.4128.4-178.6-58.5172.5000109.1S2 Y80S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 WeakPolarHBondContact OG-CB 3.35Å; S2-I4 WeakPolarHBondContact OG-CG1 3.24Å; S2-I4 PolarHBondContact OG-N 2.96Å; S2-I4 VanDerWaalsContact OG-N 3.16Å; I4-Y80 WeakPolarHBondContact O-CD1 3.45Å
5P98.2Very high94.5Very high43 Ų4342 Ų4228%0.27925%0.248SC..  trans-59.3146.5173.9-24.835.2000111.8F28 G30 D31 N84P5-F28 HydrophobicContact CB-CE1 3.96Å; P5-F28 HydrophobicContact CB-CE2 4.41Å; P5-F28 HydrophobicContact CB-CZ 3.53Å; P5-G30 CarbonylContact O-C 3.58Å; P5-G30 VanDerWaalsContact O-CA 3.31Å; P5-G30 WeakPolarHBondContact O-CA 3.31Å; P5-D31 PolarHBondContact O-N 3.45Å; P5-N84 VanDerWaalsContact CA-OD1 3.24Å; P5-N84 WeakPolarHBondContact CA-OD1 3.34Å; P5-N84 HydrophobicContact CB-CB 4.46Å
6V98.9Very high94.8Very high0 Ų040.9 Ų40.90%024%0.24CC..EExtended strand (participates in β ladder)trans-131.7133.518065.90000112.7D31 Y33 L76 Y80 L83 N84 V85V6-D31 CarbonylContact C-O 3.17Å; V6-D31 WeakPolarHBondContact CA-O 3.23Å; V6-D31 HydrophobicContact CG2-CB 4.21Å; V6-Y33 HydrophobicContact CG2-CD2 3.49Å; V6-Y33 VanDerWaalsContact CG2-CD2 3.49Å; V6-Y33 HydrophobicContact CG2-CE2 3.61Å; V6-L76 HydrophobicContact CG1-CD2 4.44Å; V6-L76 HydrophobicContact CG2-CD2 4.37Å; V6-Y80 HydrophobicContact CB-CD1 3.81Å; V6-Y80 HydrophobicContact CB-CD2 4.35Å; V6-Y80 HydrophobicContact CB-CE1 3.92Å; V6-Y80 HydrophobicContact CB-CE2 4.45Å; V6-Y80 HydrophobicContact CB-CG 4.06Å; V6-Y80 HydrophobicContact CG1-CD1 3.94Å; V6-Y80 HydrophobicContact CG1-CD2 4.13Å; V6-Y80 HydrophobicContact CG1-CG 3.75Å; V6-Y80 HydrophobicContact CG2-CD1 4.44Å; V6-Y80 HydrophobicContact CG2-CD2 4.3Å; V6-Y80 HydrophobicContact CG2-CE1 4.21Å; V6-Y80 HydrophobicContact CG2-CE2 4.06Å; V6-Y80 HydrophobicContact CG2-CG 4.5Å; V6-L83 HydrophobicContact CG1-CB 3.86Å; V6-N84 PolarHBondContact N-OD1 2.94Å; V6-N84 WeakPolarHBondContact O-CB 3.42Å; V6-N84 PolarHBondContact O-N 2.8Å; V6-V85 PolarHBondContact O-N 3.38Å; V6-V85 VanDerWaalsContact O-N 3.1Å
7A98.9Very high95Very high0 Ų038.5 Ų38.50%023%0.226CC..EExtended strand (participates in β ladder)trans-113.4138.6173.900000110.9L24 F28 D31 V32 Y33 V85A7-L24 HydrophobicContact CB-CD1 4.24Å; A7-F28 HydrophobicContact CB-CD1 3.83Å; A7-F28 HydrophobicContact CB-CD2 4.49Å; A7-F28 HydrophobicContact CB-CE1 3.77Å; A7-F28 HydrophobicContact CB-CE2 4.45Å; A7-F28 HydrophobicContact CB-CG 4.2Å; A7-F28 HydrophobicContact CB-CZ 4.09Å; A7-D31 PolarHBondContact N-O 3.27Å; A7-V32 HydrophobicContact CB-CG2 4.43Å; A7-V32 CarbonylContact O-C 3.57Å; A7-V32 WeakPolarHBondContact O-CA 3.36Å; A7-Y33 PolarHBondContact O-N 3.5Å; A7-V85 CarbonylContact C-O 3.56Å; A7-V85 WeakPolarHBondContact CA-O 3.39Å; A7-V85 HydrophobicContact CB-CB 3.72Å; A7-V85 HydrophobicContact CB-CG1 4.16Å; A7-V85 HydrophobicContact CB-CG2 4.47Å
8V98.9Very high95.3Very high0 Ų037.9 Ų37.90%022%0.22CC..EExtended strand (participates in β ladder)trans-126.7130.4-178.9-177.40000109.8T35 L72 L76 L83 V85 L86 V87V8-T35 HydrophobicContact CG1-CG2 3.81Å; V8-L72 HydrophobicContact CG1-CD2 4.22Å; V8-L76 HydrophobicContact CG2-CD1 4.11Å; V8-L76 HydrophobicContact CG2-CD2 4Å; V8-L83 HydrophobicContact CB-CD1 4.43Å; V8-L83 HydrophobicContact CG2-CD1 4.15Å; V8-V85 PolarHBondContact N-O 2.99Å; V8-L86 HydrophobicContact CB-CD1 4.37Å; V8-L86 HydrophobicContact CG1-CD1 4.49Å; V8-V87 PolarHBondContact O-N 3.01Å
9V98.9Very high95.5Very high0 Ų035.9 Ų35.90%021%0.208CC..EExtended strand (participates in β ladder)trans-119.8124.7176.2-170.60000110A12 I20 V21 L24 Y33 T35 V87 N89V9-A12 HydrophobicContact CB-CB 3.97Å; V9-A12 HydrophobicContact CG1-CB 3.86Å; V9-I20 HydrophobicContact CG1-CB 4.32Å; V9-I20 HydrophobicContact CG1-CG2 4.12Å; V9-I20 HydrophobicContact CG2-CG2 3.84Å; V9-V21 HydrophobicContact CB-CG2 3.72Å; V9-V21 HydrophobicContact CG1-CG2 4.26Å; V9-V21 HydrophobicContact CG2-CG2 3.7Å; V9-L24 HydrophobicContact CG2-CD1 3.72Å; V9-Y33 PolarHBondContact N-O 3.21Å; V9-Y33 VanDerWaalsContact N-O 3.1Å; V9-T35 PolarHBondContact O-N 3.46Å; V9-T35 PolarHBondContact O-OG1 2.86Å; V9-V87 HydrophobicContact CB-CB 4.47Å; V9-V87 HydrophobicContact CG1-CB 4.19Å; V9-V87 HydrophobicContact CG1-CG1 4.33Å; V9-V87 HydrophobicContact CG2-CB 4.24Å; V9-V87 HydrophobicContact CG2-CG2 4.41Å; V9-N89 HydrophobicContact CG1-CB 4.27Å
10T98.9Very high95.6Very high2 Ų234.1 Ų34.11%0.01220%0.198CC..SBendtrans-83.8142.1177.676.30000112.2A12 T35 L61 V87 N88 N89 A90 V120T10-A12 PolarHBondContact O-N 3.42Å; T10-T35 WeakPolarHBondContact CA-OG1 3.28Å; T10-L61 HydrophobicContact CG2-CD2 3.55Å; T10-V87 PolarHBondContact N-O 3.28Å; T10-N88 WeakPolarHBondContact OG1-CA 3.48Å; T10-N89 WeakPolarHBondContact O-CB 3.44Å; T10-N89 PolarHBondContact O-ND2 3.29Å; T10-N89 PolarHBondContact OG1-N 3.49Å; T10-A90 PolarHBondContact O-N 3.3Å; T10-A90 WeakPolarHBondContact OG1-CB 3.36Å; T10-A90 PolarHBondContact OG1-N 3.2Å; T10-V120 HydrophobicContact CG2-CG1 4.47Å
11G98.6Very high95.8Very high23 Ų2332.5 Ų32.524%0.23719%0.189CC..SBendtrans61.845.2177.300000113.2T35 N89G11-T35 PolarHBondContact N-O 3.45Å; G11-N89 PolarHBondContact O-ND2 2.98Å; G11-N89 VanDerWaalsContact O-ND2 3.1Å
12A98.6Very high97.3Very high0 Ų026.1 Ų26.10%016%0.155CC..  trans-103.36.6-164.500000115V9 T10 K14 F18 V21 L34 T35V9-A12 HydrophobicContact CB-CB 3.97Å; V9-A12 HydrophobicContact CG1-CB 3.86Å; T10-A12 PolarHBondContact O-N 3.42Å; A12-K14 PolarHBondContact O-N 3.29Å; A12-F18 VanDerWaalsContact O-CA 3.23Å; A12-F18 WeakPolarHBondContact O-CA 3.44Å; A12-F18 WeakPolarHBondContact O-CB 3.4Å; A12-F18 PolarHBondContact O-N 3.46Å; A12-V21 HydrophobicContact CB-CG2 3.67Å; A12-L34 HydrophobicContact CB-CD2 4.48Å; A12-L34 HydrophobicContact CB-CG 3.86Å; A12-T35 PolarHBondContact N-O 3.05Å
13N98.7Very high98.2Very high34 Ų3425.1 Ų25.118%0.18215%0.149CC..SBendtrans-72.9-10.4178.369.9-71.8000114.3A36 R41 A45N13-A36 HydrophobicContact CB-CB 3.76Å; N13-R41 HydrophobicContact CB-CB 4.35Å; N13-A45 HydrophobicContact CB-CB 4.06Å; N13-A45 WeakPolarHBondContact O-CB 3.32Å
14K98.4Very high98.7Very high100 Ų10019.7 Ų19.744%0.43511%0.111SC..SBendtrans-160175.6178.764.9-179.8-174.7173.40112.4A12 F18 D233A12-K14 PolarHBondContact O-N 3.29Å; K14-F18 PolarHBondContact O-N 3.44Å; K14-D233 WeakPolarHBondContact CD-OD2 3.25Å; K14-D233 WeakPolarHBondContact CE-OD2 3.41Å; K14-D233 IonicContact NZ-OD2 3.71Å; K14-D233 PolarHBondContact NZ-OD2 2.94Å
15G98.6Very high98.8Very high24 Ų2417.7 Ų17.725%0.24710%0.104CC..Hα-helixtrans59.6-139.8171.300000113.1F18 A19G15-F18 PolarHBondContact O-N 3.26Å; G15-A19 PolarHBondContact O-N 3.34Å
16I98.8Very high98.8Very high25 Ų2522.1 Ų22.113%0.12812%0.118CC..Hα-helixtrans-64.7-42.9-176.3-60.5162.5000111F18 A19 I20 P227 V230 T232I16-F18 VanDerWaalsContact C-N 3.3Å; I16-F18 PolarHBondContact O-N 3.04Å; I16-A19 PolarHBondContact O-N 3.25Å; I16-A19 VanDerWaalsContact O-N 3.08Å; I16-I20 HydrophobicContact CG2-CD1 3.73Å; I16-I20 HydrophobicContact CG2-CG1 4.12Å; I16-I20 VanDerWaalsContact O-CG1 3.31Å; I16-I20 WeakPolarHBondContact O-CG1 3.37Å; I16-I20 PolarHBondContact O-N 3.01Å; I16-P227 HydrophobicContact CD1-CB 3.83Å; I16-P227 HydrophobicContact CD1-CG 3.61Å; I16-P227 HydrophobicContact CG2-CB 4.38Å; I16-V230 HydrophobicContact CD1-CB 3.96Å; I16-V230 HydrophobicContact CD1-CG1 4.33Å; I16-V230 HydrophobicContact CD1-CG2 3.84Å; I16-V230 HydrophobicContact CG1-CB 4.07Å; I16-V230 HydrophobicContact CG1-CG1 3.87Å; I16-V230 HydrophobicContact CG1-CG2 4.14Å; I16-T232 HydrophobicContact CG1-CG2 4.1Å
17G98.8Very high98.8Very high0 Ų027.8 Ų27.80%015%0.145CC..Hα-helixtrans-58.4-39.817900000113.3I20 V21 N89G17-I20 PolarHBondContact O-N 2.99Å; G17-V21 WeakPolarHBondContact O-CG2 3.18Å; G17-V21 PolarHBondContact O-N 2.92Å; G17-N89 VanDerWaalsContact CA-ND2 3.29Å; G17-N89 WeakPolarHBondContact CA-ND2 3.4Å; G17-N89 PolarHBondContact N-ND2 3.09Å; G17-N89 PolarHBondContact N-OD1 3.49Å
18F98.9Very high98.8Very high27 Ų2729 Ų2912%0.11815%0.15CC..Hα-helixtrans-62.1-44.8173.8-178-88000112.1A12 K14 G15 I16 I20 V21 R22 L34 A45 K48 L49A12-F18 VanDerWaalsContact O-CA 3.23Å; A12-F18 WeakPolarHBondContact O-CA 3.44Å; A12-F18 WeakPolarHBondContact O-CB 3.4Å; A12-F18 PolarHBondContact O-N 3.46Å; K14-F18 PolarHBondContact O-N 3.44Å; G15-F18 PolarHBondContact O-N 3.26Å; I16-F18 VanDerWaalsContact C-N 3.3Å; I16-F18 PolarHBondContact O-N 3.04Å; F18-I20 VanDerWaalsContact C-N 3.34Å; F18-V21 PolarHBondContact O-N 3.13Å; F18-R22 WeakPolarHBondContact O-CB 3.48Å; F18-R22 PolarHBondContact O-N 2.79Å; F18-L34 HydrophobicContact CD2-CD1 4.5Å; F18-A45 HydrophobicContact CD2-CB 3.96Å; F18-A45 HydrophobicContact CE2-CB 3.95Å; F18-A45 WeakPolarHBondContact CE2-O 3.41Å; F18-K48 HydrophobicContact CE2-CB 4.25Å; F18-K48 HydrophobicContact CZ-CB 4.04Å; F18-L49 HydrophobicContact CD2-CD1 4.3Å; F18-L49 HydrophobicContact CD2-CG 4.49Å; F18-L49 HydrophobicContact CE1-CD2 3.73Å; F18-L49 HydrophobicContact CE1-CG 4.27Å; F18-L49 HydrophobicContact CE2-CD1 3.89Å; F18-L49 HydrophobicContact CE2-CD2 4.04Å; F18-L49 HydrophobicContact CE2-CG 3.65Å; F18-L49 HydrophobicContact CZ-CD1 4.17Å; F18-L49 HydrophobicContact CZ-CD2 3.44Å; F18-L49 VanDerWaalsContact CZ-CD2 3.44Å; F18-L49 HydrophobicContact CZ-CG 3.51Å
19A98.9Very high98.7Very high0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-67.1-34.5177.500000112.5G15 I16 R22 A23 P243 A247G15-A19 PolarHBondContact O-N 3.34Å; I16-A19 PolarHBondContact O-N 3.25Å; I16-A19 VanDerWaalsContact O-N 3.08Å; A19-R22 PolarHBondContact O-N 3.26Å; A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 2.91Å; A19-P243 VanDerWaalsContact CB-C 3.5Å; A19-P243 HydrophobicContact CB-CB 3.84Å; A19-P243 VanDerWaalsContact CB-O 3.27Å; A19-P243 WeakPolarHBondContact CB-O 3.27Å; A19-A247 HydrophobicContact CB-CB 3.86Å
20I98.9Very high98.7Very high0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-62.9-49.4172.4-66.6167.8000110.1V9 I16 G17 F18 R22 A23 L24 V87 N89 A247 P250 V251V9-I20 HydrophobicContact CG1-CB 4.32Å; V9-I20 HydrophobicContact CG1-CG2 4.12Å; V9-I20 HydrophobicContact CG2-CG2 3.84Å; I16-I20 HydrophobicContact CG2-CD1 3.73Å; I16-I20 HydrophobicContact CG2-CG1 4.12Å; I16-I20 VanDerWaalsContact O-CG1 3.31Å; I16-I20 WeakPolarHBondContact O-CG1 3.37Å; I16-I20 PolarHBondContact O-N 3.01Å; G17-I20 PolarHBondContact O-N 2.99Å; F18-I20 VanDerWaalsContact C-N 3.34Å; I20-R22 VanDerWaalsContact C-N 3.31Å; I20-R22 PolarHBondContact O-N 3.26Å; I20-A23 PolarHBondContact O-N 2.88Å; I20-L24 HydrophobicContact CG2-CD1 3.83Å; I20-L24 HydrophobicContact CG2-CG 4.22Å; I20-L24 WeakPolarHBondContact O-CB 3.22Å; I20-L24 WeakPolarHBondContact O-CG 3.41Å; I20-L24 PolarHBondContact O-N 3.42Å; I20-V87 HydrophobicContact CD1-CG1 4.05Å; I20-V87 HydrophobicContact CG2-CG1 4.36Å; I20-V87 HydrophobicContact CG2-CG2 4.37Å; I20-N89 HydrophobicContact CD1-CB 4.41Å; I20-A247 HydrophobicContact CG1-CB 3.7Å; I20-P250 HydrophobicContact CD1-CB 3.54Å; I20-P250 HydrophobicContact CD1-CG 3.94Å; I20-P250 HydrophobicContact CG1-CB 4.01Å; I20-V251 HydrophobicContact CB-CG2 4.44Å; I20-V251 HydrophobicContact CG1-CG2 4.38Å; I20-V251 HydrophobicContact CG2-CG2 4.16Å
21V98.9Very high98.7Very high0 Ų037.3 Ų37.30%021%0.207CC..Hα-helixtrans-56.8-47.9176170.60000110.5V9 A12 G17 F18 A23 L24 C25 V32 L34 L49 P56V9-V21 HydrophobicContact CB-CG2 3.72Å; V9-V21 HydrophobicContact CG1-CG2 4.26Å; V9-V21 HydrophobicContact CG2-CG2 3.7Å; A12-V21 HydrophobicContact CB-CG2 3.67Å; G17-V21 WeakPolarHBondContact O-CG2 3.18Å; G17-V21 PolarHBondContact O-N 2.92Å; F18-V21 PolarHBondContact O-N 3.13Å; V21-A23 VanDerWaalsContact C-N 3.3Å; V21-A23 PolarHBondContact O-N 2.9Å; V21-L24 PolarHBondContact O-N 2.87Å; V21-C25 PolarHBondContact O-N 2.68Å; V21-C25 PolarHBondContact O-SG 3.37Å; V21-C25 VanDerWaalsContact O-SG 3.36Å; V21-V32 HydrophobicContact CG1-CG1 4.02Å; V21-L34 HydrophobicContact CG1-CB 4.16Å; V21-L34 HydrophobicContact CG1-CD1 4.29Å; V21-L34 HydrophobicContact CG2-CB 4.13Å; V21-L34 HydrophobicContact CG2-CG 4.28Å; V21-L49 HydrophobicContact CB-CD1 4.33Å; V21-L49 HydrophobicContact CG1-CD1 3.63Å; V21-P56 HydrophobicContact CG1-CB 3.76Å; V21-P56 HydrophobicContact CG1-CG 4.36Å
22R98.9Very high98.7Very high42 Ų4236.4 Ų36.416%0.15820%0.197CC..Hα-helixtrans-54.2-46.1177.2177.816460.4-173.2-5.6112.4F18 A19 I20 K26 L49 E52 L54 D244F18-R22 WeakPolarHBondContact O-CB 3.48Å; F18-R22 PolarHBondContact O-N 2.79Å; A19-R22 PolarHBondContact O-N 3.26Å; I20-R22 VanDerWaalsContact C-N 3.31Å; I20-R22 PolarHBondContact O-N 3.26Å; R22-K26 WeakPolarHBondContact O-CG 3.38Å; R22-K26 PolarHBondContact O-N 3Å; R22-L49 HydrophobicContact CB-CD2 3.71Å; R22-L49 HydrophobicContact CG-CD2 4.05Å; R22-E52 WeakPolarHBondContact CD-OE2 3.14Å; R22-E52 IonicContact NH1-OE1 3.94Å; R22-E52 PolarHBondContact NH1-OE1 2.9Å; R22-E52 IonicContact NH1-OE2 2.97Å; R22-E52 PolarHBondContact NH1-OE2 3.18Å; R22-L54 HydrophobicContact CB-CD1 4.39Å; R22-L54 HydrophobicContact CG-CD1 3.71Å; R22-D244 IonicContact CZ-OD1 2.71Å; R22-D244 VanDerWaalsContact CZ-OD1 3.24Å; R22-D244 IonicContact CZ-OD2 3.63Å; R22-D244 IonicContact NE-OD1 3.84Å; R22-D244 PolarHBondContact NE-OD1 3.4Å; R22-D244 IonicContact NH2-OD1 3.42Å; R22-D244 PolarHBondContact NH2-OD1 3.2Å; R22-D244 IonicContact NH2-OD2 3.4Å; R22-D244 PolarHBondContact NH2-OD2 3.07Å
23A98.9Very high98.7Very high18 Ų1836.6 Ų36.615%0.14920%0.198CC..Hα-helixtrans-69.5-39.5-18000000112.4A19 I20 V21 K26 Q27 V251A19-A23 WeakPolarHBondContact O-CB 3.44Å; A19-A23 PolarHBondContact O-N 2.91Å; I20-A23 PolarHBondContact O-N 2.88Å; V21-A23 VanDerWaalsContact C-N 3.3Å; V21-A23 PolarHBondContact O-N 2.9Å; A23-K26 PolarHBondContact O-N 2.77Å; A23-Q27 WeakPolarHBondContact O-CB 3.47Å; A23-Q27 PolarHBondContact O-N 3.16Å; A23-Q27 PolarHBondContact O-NE2 3.4Å; A23-V251 HydrophobicContact CB-CG1 4.2Å; A23-V251 HydrophobicContact CB-CG2 3.63Å
24L98.9Very high98.7Very high0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-66.1-41.4175.9-69.5176.2000111.5A7 V9 I20 V21 K26 Q27 F28 V32 A254 L255A7-L24 HydrophobicContact CB-CD1 4.24Å; V9-L24 HydrophobicContact CG2-CD1 3.72Å; I20-L24 HydrophobicContact CG2-CD1 3.83Å; I20-L24 HydrophobicContact CG2-CG 4.22Å; I20-L24 WeakPolarHBondContact O-CB 3.22Å; I20-L24 WeakPolarHBondContact O-CG 3.41Å; I20-L24 PolarHBondContact O-N 3.42Å; V21-L24 PolarHBondContact O-N 2.87Å; L24-K26 PolarHBondContact O-N 2.53Å; L24-K26 VanDerWaalsContact O-N 3.07Å; L24-Q27 PolarHBondContact O-N 3.29Å; L24-F28 HydrophobicContact CB-CB 4.3Å; L24-F28 HydrophobicContact CD2-CB 4.3Å; L24-F28 VanDerWaalsContact O-CB 3.26Å; L24-F28 WeakPolarHBondContact O-CB 3.43Å; L24-F28 PolarHBondContact O-N 2.85Å; L24-V32 HydrophobicContact CB-CG1 3.97Å; L24-V32 HydrophobicContact CB-CG2 3.98Å; L24-V32 HydrophobicContact CD1-CG1 4.47Å; L24-A254 HydrophobicContact CD2-CB 4.18Å; L24-L255 HydrophobicContact CD2-CD1 4.29Å; L24-L255 HydrophobicContact CD2-CD2 3.89Å; L24-L255 HydrophobicContact CD2-CG 4.06Å
25C98.9Very high98.7Very high34 Ų3430.2 Ų30.223%0.2317%0.168CC..Hα-helixtrans-58.5-23.9174.4-71.70000113.3V21 L54V21-C25 PolarHBondContact O-N 2.68Å; V21-C25 PolarHBondContact O-SG 3.37Å; V21-C25 VanDerWaalsContact O-SG 3.36Å; C25-L54 HydrophobicContact CB-CB 4.04Å; C25-L54 HydrophobicContact CB-CD1 4.2Å; C25-L54 HydrophobicContact CB-CD2 3.97Å; C25-L54 HydrophobicContact CB-CG 4.3Å
26K98.7Very high98.7Very high136 Ų13629.1 Ų29.159%0.59116%0.157SC*.Hα-helixtrans-88.7-22.2177.8-67.4175.4-177.3-176.80113.8R22 A23 L24 L54R22-K26 WeakPolarHBondContact O-CG 3.38Å; R22-K26 PolarHBondContact O-N 3Å; A23-K26 PolarHBondContact O-N 2.77Å; L24-K26 PolarHBondContact O-N 2.53Å; L24-K26 VanDerWaalsContact O-N 3.07Å; K26-L54 HydrophobicContact CG-CD1 4.46Å; K26-L54 HydrophobicContact CG-CD2 3.74Å
27Q98.6Very high98.7Very high119 Ų11934.7 Ų34.756%0.55618%0.176SC*.Hα-helixtrans-128.7-30.4-164-67.9173.378.400114.2A23 L24 L255A23-Q27 WeakPolarHBondContact O-CB 3.47Å; A23-Q27 PolarHBondContact O-N 3.16Å; A23-Q27 PolarHBondContact O-NE2 3.4Å; L24-Q27 PolarHBondContact O-N 3.29Å; Q27-L255 HydrophobicContact CB-CD1 3.59Å; Q27-L255 HydrophobicContact CG-CD1 4.47Å
28F98.6Very high98.7Very high24 Ų2437.9 Ų37.911%0.10519%0.193CC..  trans-80.3125.7-178.8-177.9-107.5000109.8P5 A7 L24 G30 V32 N84 V85 L255P5-F28 HydrophobicContact CB-CE1 3.96Å; P5-F28 HydrophobicContact CB-CE2 4.41Å; P5-F28 HydrophobicContact CB-CZ 3.53Å; A7-F28 HydrophobicContact CB-CD1 3.83Å; A7-F28 HydrophobicContact CB-CD2 4.49Å; A7-F28 HydrophobicContact CB-CE1 3.77Å; A7-F28 HydrophobicContact CB-CE2 4.45Å; A7-F28 HydrophobicContact CB-CG 4.2Å; A7-F28 HydrophobicContact CB-CZ 4.09Å; L24-F28 HydrophobicContact CB-CB 4.3Å; L24-F28 HydrophobicContact CD2-CB 4.3Å; L24-F28 VanDerWaalsContact O-CB 3.26Å; L24-F28 WeakPolarHBondContact O-CB 3.43Å; L24-F28 PolarHBondContact O-N 2.85Å; F28-G30 PolarHBondContact O-N 2.87Å; F28-V32 HydrophobicContact CB-CG2 4.36Å; F28-V32 HydrophobicContact CD1-CG2 4.03Å; F28-N84 HydrophobicContact CZ-CB 4.12Å; F28-V85 HydrophobicContact CD2-CG2 4.25Å; F28-V85 HydrophobicContact CE2-CG2 3.71Å; F28-V85 HydrophobicContact CZ-CG2 4.37Å; F28-L255 HydrophobicContact CB-CD2 4.15Å; F28-L255 HydrophobicContact CD2-CD2 3.86Å
29P97.1Very high98.7Very high106 Ų10639.6 Ų39.669%0.68821%0.207SC*.SBendtrans-81.962.4-177.434.6-36.6000111.2
30G98.2Very high98.7Very high28 Ų2841.1 Ų41.129%0.28922%0.223SC..SBendtrans177.7-168.1-178.500000114.1P5 F28P5-G30 CarbonylContact O-C 3.58Å; P5-G30 VanDerWaalsContact O-CA 3.31Å; P5-G30 WeakPolarHBondContact O-CA 3.31Å; F28-G30 PolarHBondContact O-N 2.87Å
31D98.8Very high98.7Very high44 Ų4447.1 Ų47.124%0.23525%0.246CC..EExtended strand (participates in β ladder)trans-72.9138.4-179.9-75-15.5000110.8P5 V6 A7 Y33 L57 Y80P5-D31 PolarHBondContact O-N 3.45Å; V6-D31 CarbonylContact C-O 3.17Å; V6-D31 WeakPolarHBondContact CA-O 3.23Å; V6-D31 HydrophobicContact CG2-CB 4.21Å; A7-D31 PolarHBondContact N-O 3.27Å; D31-Y33 HydrophobicContact CB-CE2 4.37Å; D31-L57 HydrophobicContact CB-CD1 3.95Å; D31-Y80 HydrophobicContact CB-CE1 4.23Å; D31-Y80 VanDerWaalsContact OD2-CE1 3.28Å; D31-Y80 WeakPolarHBondContact OD2-CE1 3.39Å; D31-Y80 VanDerWaalsContact OD2-CZ 3.31Å; D31-Y80 PolarHBondContact OD2-OH 3Å
32V98.9Very high98.6Very high4 Ų447.1 Ų47.12%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-121.2116.6177.1-176.50000109.3A7 V21 L24 F28 P56 L57A7-V32 HydrophobicContact CB-CG2 4.43Å; A7-V32 CarbonylContact O-C 3.57Å; A7-V32 WeakPolarHBondContact O-CA 3.36Å; V21-V32 HydrophobicContact CG1-CG1 4.02Å; L24-V32 HydrophobicContact CB-CG1 3.97Å; L24-V32 HydrophobicContact CB-CG2 3.98Å; L24-V32 HydrophobicContact CD1-CG1 4.47Å; F28-V32 HydrophobicContact CB-CG2 4.36Å; F28-V32 HydrophobicContact CD1-CG2 4.03Å; V32-P56 WeakPolarHBondContact O-CA 3.38Å; V32-L57 PolarHBondContact O-N 3.07Å
33Y98.9Very high98.6Very high4 Ų450.9 Ų50.92%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-90.9115.8173.6-77.2-95.4000111.1V6 A7 V9 D31 L57 H59 F75 K79 Y80V6-Y33 HydrophobicContact CG2-CD2 3.49Å; V6-Y33 VanDerWaalsContact CG2-CD2 3.49Å; V6-Y33 HydrophobicContact CG2-CE2 3.61Å; A7-Y33 PolarHBondContact O-N 3.5Å; V9-Y33 PolarHBondContact N-O 3.21Å; V9-Y33 VanDerWaalsContact N-O 3.1Å; D31-Y33 HydrophobicContact CB-CE2 4.37Å; Y33-L57 WeakPolarHBondContact CA-O 3.5Å; Y33-L57 HydrophobicContact CD1-CB 3.79Å; Y33-L57 HydrophobicContact CD2-CB 4.37Å; Y33-L57 HydrophobicContact CE1-CB 3.56Å; Y33-L57 HydrophobicContact CE1-CD1 4.21Å; Y33-L57 HydrophobicContact CE2-CB 4.15Å; Y33-L57 HydrophobicContact CE2-CD1 3.73Å; Y33-L57 HydrophobicContact CG-CB 4.19Å; Y33-L57 VanDerWaalsContact OH-CD1 3.28Å; Y33-L57 WeakPolarHBondContact OH-CD1 3.46Å; Y33-H59 HydrophobicContact CD1-CB 3.9Å; Y33-H59 HydrophobicContact CE1-CB 4.36Å; Y33-F75 HydrophobicContact CD1-CE1 4.28Å; Y33-F75 AromaticContact CE1-CE1 3.49Å; Y33-F75 HydrophobicContact CE1-CE1 3.49Å; Y33-F75 VanDerWaalsContact CE1-CE1 3.49Å; Y33-F75 AromaticContact CE1-CZ 3.66Å; Y33-F75 HydrophobicContact CE1-CZ 3.66Å; Y33-F75 HydrophobicContact CE2-CE1 4.26Å; Y33-F75 AromaticContact CZ-CE1 3.5Å; Y33-F75 VanDerWaalsContact CZ-CE1 3.5Å; Y33-F75 AromaticContact CZ-CZ 3.61Å; Y33-F75 WeakPolarHBondContact OH-CZ 3.23Å; Y33-K79 PolarHBondContact OH-NZ 3.19Å; Y33-Y80 AromaticContact CE2-CE2 3.65Å; Y33-Y80 HydrophobicContact CE2-CE2 3.65Å; Y33-Y80 AromaticContact CE2-CZ 3.73Å; Y33-Y80 VanDerWaalsContact CE2-OH 3.28Å; Y33-Y80 WeakPolarHBondContact CE2-OH 3.48Å; Y33-Y80 AromaticContact CZ-CE2 3.95Å; Y33-Y80 PolarHBondContact OH-OH 2.89Å
34L98.9Very high98.6Very high0 Ų055.5 Ų55.50%028%0.284CS..EExtended strand (participates in β ladder)trans-76.9120.1157.8-172.9154.6000107.5A12 F18 V21 A45 V46 L49 P56 L57 F58 H59A12-L34 HydrophobicContact CB-CD2 4.48Å; A12-L34 HydrophobicContact CB-CG 3.86Å; F18-L34 HydrophobicContact CD2-CD1 4.5Å; V21-L34 HydrophobicContact CG1-CB 4.16Å; V21-L34 HydrophobicContact CG1-CD1 4.29Å; V21-L34 HydrophobicContact CG2-CB 4.13Å; V21-L34 HydrophobicContact CG2-CG 4.28Å; L34-A45 HydrophobicContact CD1-CB 3.73Å; L34-A45 HydrophobicContact CD2-CB 4.3Å; L34-V46 HydrophobicContact CB-CG2 4.22Å; L34-V46 HydrophobicContact CD1-CG2 4.24Å; L34-V46 HydrophobicContact CD2-CG2 4.44Å; L34-L49 HydrophobicContact CD1-CD1 3.97Å; L34-P56 HydrophobicContact CB-CB 4.37Å; L34-L57 PolarHBondContact N-O 3.23Å; L34-F58 HydrophobicContact CD2-CD2 3.98Å; L34-F58 HydrophobicContact CD2-CE2 4.24Å; L34-F58 WeakPolarHBondContact O-CA 3.45Å; L34-F58 VanDerWaalsContact O-CD2 3.22Å; L34-F58 WeakPolarHBondContact O-CD2 3.2Å; L34-H59 PolarHBondContact O-N 3.33Å
35T98.9Very high98.6Very high0 Ų055.6 Ų55.60%028%0.284CS..EExtended strand (participates in β ladder)trans-113.8146.7172.774.90000111.8V8 V9 T10 G11 A12 H59 L61 L72V8-T35 HydrophobicContact CG1-CG2 3.81Å; V9-T35 PolarHBondContact O-N 3.46Å; V9-T35 PolarHBondContact O-OG1 2.86Å; T10-T35 WeakPolarHBondContact CA-OG1 3.28Å; G11-T35 PolarHBondContact N-O 3.45Å; A12-T35 PolarHBondContact N-O 3.05Å; T35-H59 VanDerWaalsContact CA-O 3.23Å; T35-H59 WeakPolarHBondContact CA-O 3.36Å; T35-H59 VanDerWaalsContact CB-O 3.31Å; T35-H59 WeakPolarHBondContact CB-O 3.34Å; T35-L61 HydrophobicContact CG2-CB 4.33Å; T35-L72 HydrophobicContact CG2-CD2 4.43Å
36A98.8Very high98.6Very high0 Ų054.7 Ų54.70%028%0.277CS..EExtended strand (participates in β ladder)trans-151.8148.3178.600000110.6N13 D38 F58 Q60 L61N13-A36 HydrophobicContact CB-CB 3.76Å; A36-D38 VanDerWaalsContact C-N 3.3Å; A36-D38 PolarHBondContact O-N 3.46Å; A36-F58 HydrophobicContact CB-CE2 4.08Å; A36-Q60 WeakPolarHBondContact O-CA 3.47Å; A36-L61 CarbonylContact C-O 3.56Å; A36-L61 PolarHBondContact O-N 3.17Å
37R98.5Very high98.6Very high142 Ų14250 Ų5054%0.53627%0.265SS..SBendtrans-66.6-35.1177.466.5-179.6-176.5-170.72.3112.7Q60 L61 D62R37-Q60 PolarHBondContact O-NE2 3.48Å; R37-L61 WeakPolarHBondContact CA-O 3.21Å; R37-L61 PolarHBondContact N-O 3.31Å; R37-D62 HydrophobicContact CB-CB 3.69Å; R37-D62 WeakPolarHBondContact CB-OD2 3.31Å
38D98.7Very high98.6Very high68 Ų6849.8 Ų49.836%0.36426%0.261SS..SBendtrans-100.1114.2179.7-178.4-79.5000109.2A36 G40 R41 G42A36-D38 VanDerWaalsContact C-N 3.3Å; A36-D38 PolarHBondContact O-N 3.46Å; D38-G40 VanDerWaalsContact C-N 3.34Å; D38-G40 PolarHBondContact O-N 2.96Å; D38-G40 PolarHBondContact OD1-N 2.91Å; D38-G40 VanDerWaalsContact OD1-N 3.13Å; D38-R41 HydrophobicContact CB-CB 4.22Å; D38-R41 HydrophobicContact CB-CG 4.38Å; D38-R41 WeakPolarHBondContact OD1-CB 3.28Å; D38-R41 WeakPolarHBondContact OD1-CG 3.28Å; D38-R41 PolarHBondContact OD1-N 3.22Å; D38-G42 PolarHBondContact O-N 2.94Å
39P98.4Very high98.6Very high62 Ų6248.6 Ų48.640%0.40326%0.256SS..Hα-helixtrans-59.8-40.1-178.1-26.835.4000113.9G42 Q43 F58 Q60P39-G42 PolarHBondContact O-N 3.49Å; P39-Q43 WeakPolarHBondContact O-CG 3.39Å; P39-Q43 PolarHBondContact O-N 2.7Å; P39-F58 HydrophobicContact CB-CE1 4.33Å; P39-F58 HydrophobicContact CB-CZ 4.49Å; P39-Q60 HydrophobicContact CG-CG 3.92Å
40G98.6Very high98.7Very high33 Ų3348.4 Ų48.434%0.3425%0.246SC..Hα-helixtrans-62.4-51.5-178.500000111.5D38 G42 Q43 E44D38-G40 VanDerWaalsContact C-N 3.34Å; D38-G40 PolarHBondContact O-N 2.96Å; D38-G40 PolarHBondContact OD1-N 2.91Å; D38-G40 VanDerWaalsContact OD1-N 3.13Å; G40-G42 VanDerWaalsContact C-N 3.27Å; G40-G42 PolarHBondContact O-N 2.97Å; G40-Q43 PolarHBondContact O-N 3.29Å; G40-E44 WeakPolarHBondContact O-CG 3.4Å; G40-E44 PolarHBondContact O-N 3.12Å
41R98.6Very high98.7Very high126 Ų12655.9 Ų55.948%0.47527%0.271SS..Hα-helixtrans-63.2-33.4175.6-68.4178178.3179.80.9112.5N13 D38 A45N13-R41 HydrophobicContact CB-CB 4.35Å; D38-R41 HydrophobicContact CB-CB 4.22Å; D38-R41 HydrophobicContact CB-CG 4.38Å; D38-R41 WeakPolarHBondContact OD1-CB 3.28Å; D38-R41 WeakPolarHBondContact OD1-CG 3.28Å; D38-R41 PolarHBondContact OD1-N 3.22Å; R41-A45 WeakPolarHBondContact O-CB 3.5Å; R41-A45 PolarHBondContact O-N 3.09Å
42G98.8Very high98.7Very high0 Ų057.9 Ų57.90%028%0.279CS..Hα-helixtrans-63.2-49.8174.100000112.4D38 P39 G40 A45 V46D38-G42 PolarHBondContact O-N 2.94Å; P39-G42 PolarHBondContact O-N 3.49Å; G40-G42 VanDerWaalsContact C-N 3.27Å; G40-G42 PolarHBondContact O-N 2.97Å; G42-A45 WeakPolarHBondContact O-CB 3.41Å; G42-A45 PolarHBondContact O-N 3.42Å; G42-V46 PolarHBondContact O-N 3Å
43Q98.5Very high98.7Very high121 Ų12160.2 Ų60.257%0.56530%0.304SS*.Hα-helixtrans-64.7-40.2177.5-71.3173.7-6.100112.1P39 G40 A45 V46 A47 F58P39-Q43 WeakPolarHBondContact O-CG 3.39Å; P39-Q43 PolarHBondContact O-N 2.7Å; G40-Q43 PolarHBondContact O-N 3.29Å; Q43-A45 VanDerWaalsContact C-N 3.29Å; Q43-A45 PolarHBondContact O-N 3.48Å; Q43-V46 PolarHBondContact O-N 2.86Å; Q43-A47 PolarHBondContact O-N 3.43Å; Q43-F58 HydrophobicContact CG-CD1 4.28Å
44E98.8Very high98.7Very high115 Ų11560.8 Ų60.854%0.53731%0.307SS..Hα-helixtrans-59.3-40.6172.6-75.7176.3-169.300112.2G40 A47 K48G40-E44 WeakPolarHBondContact O-CG 3.4Å; G40-E44 PolarHBondContact O-N 3.12Å; E44-A47 PolarHBondContact O-N 3.4Å; E44-K48 WeakPolarHBondContact O-CG 3.4Å; E44-K48 PolarHBondContact O-N 3.15Å
45A98.8Very high98.7Very high1 Ų167.8 Ų67.81%0.00834%0.339CS..Hα-helixtrans-66.7-41.1177.400000111.8N13 F18 L34 R41 G42 Q43 K48 L49N13-A45 HydrophobicContact CB-CB 4.06Å; N13-A45 WeakPolarHBondContact O-CB 3.32Å; F18-A45 HydrophobicContact CD2-CB 3.96Å; F18-A45 HydrophobicContact CE2-CB 3.95Å; F18-A45 WeakPolarHBondContact CE2-O 3.41Å; L34-A45 HydrophobicContact CD1-CB 3.73Å; L34-A45 HydrophobicContact CD2-CB 4.3Å; R41-A45 WeakPolarHBondContact O-CB 3.5Å; R41-A45 PolarHBondContact O-N 3.09Å; G42-A45 WeakPolarHBondContact O-CB 3.41Å; G42-A45 PolarHBondContact O-N 3.42Å; Q43-A45 VanDerWaalsContact C-N 3.29Å; Q43-A45 PolarHBondContact O-N 3.48Å; A45-K48 PolarHBondContact O-N 2.85Å; A45-L49 PolarHBondContact O-N 3.22Å; A45-L49 VanDerWaalsContact O-N 3.15Å
46V98.8Very high98.6Very high15 Ų1568 Ų689%0.09134%0.341CS..Hα-helixtrans-59.4-47171.9168.90000111.1L34 G42 Q43 K48 L49 Q50 P56 F58L34-V46 HydrophobicContact CB-CG2 4.22Å; L34-V46 HydrophobicContact CD1-CG2 4.24Å; L34-V46 HydrophobicContact CD2-CG2 4.44Å; G42-V46 PolarHBondContact O-N 3Å; Q43-V46 PolarHBondContact O-N 2.86Å; V46-K48 VanDerWaalsContact C-N 3.27Å; V46-K48 PolarHBondContact O-N 3.07Å; V46-L49 PolarHBondContact O-N 2.93Å; V46-L49 VanDerWaalsContact O-N 3.09Å; V46-Q50 HydrophobicContact CG1-CG 4.29Å; V46-Q50 WeakPolarHBondContact O-CG 3.43Å; V46-Q50 PolarHBondContact O-N 2.96Å; V46-P56 HydrophobicContact CG1-CG 4.31Å; V46-P56 HydrophobicContact CG2-CG 4.22Å; V46-F58 HydrophobicContact CG2-CB 4.06Å
47A98.8Very high98.6Very high39 Ų3970.8 Ų70.832%0.32236%0.355SS..Hα-helixtrans-61.3-34.2178.500000112.9Q43 E44 Q50 K51Q43-A47 PolarHBondContact O-N 3.43Å; E44-A47 PolarHBondContact O-N 3.4Å; A47-Q50 PolarHBondContact O-N 3.46Å; A47-K51 WeakPolarHBondContact O-CG 3.25Å; A47-K51 PolarHBondContact O-N 3.36Å
48K98.8Very high98.7Very high113 Ų11366.7 Ų66.749%0.49134%0.341SS..Hα-helixtrans-63.7-45.2173-73.1170.7-172.6172.80111.6F18 E44 A45 V46 Q50 K51 E52F18-K48 HydrophobicContact CE2-CB 4.25Å; F18-K48 HydrophobicContact CZ-CB 4.04Å; E44-K48 WeakPolarHBondContact O-CG 3.4Å; E44-K48 PolarHBondContact O-N 3.15Å; A45-K48 PolarHBondContact O-N 2.85Å; V46-K48 VanDerWaalsContact C-N 3.27Å; V46-K48 PolarHBondContact O-N 3.07Å; K48-Q50 VanDerWaalsContact C-N 3.34Å; K48-K51 WeakPolarHBondContact O-CB 3.29Å; K48-K51 PolarHBondContact O-N 3.21Å; K48-E52 PolarHBondContact O-N 2.79Å
49L98.8Very high98.7Very high0 Ų065.2 Ų65.20%033%0.332CS..Hα-helixtrans-68.8-32.8178.3-68.4170.8000112.3F18 V21 R22 L34 A45 V46 K51 E52 G53 L54 P56F18-L49 HydrophobicContact CD2-CD1 4.3Å; F18-L49 HydrophobicContact CD2-CG 4.49Å; F18-L49 HydrophobicContact CE1-CD2 3.73Å; F18-L49 HydrophobicContact CE1-CG 4.27Å; F18-L49 HydrophobicContact CE2-CD1 3.89Å; F18-L49 HydrophobicContact CE2-CD2 4.04Å; F18-L49 HydrophobicContact CE2-CG 3.65Å; F18-L49 HydrophobicContact CZ-CD1 4.17Å; F18-L49 HydrophobicContact CZ-CD2 3.44Å; F18-L49 VanDerWaalsContact CZ-CD2 3.44Å; F18-L49 HydrophobicContact CZ-CG 3.51Å; V21-L49 HydrophobicContact CB-CD1 4.33Å; V21-L49 HydrophobicContact CG1-CD1 3.63Å; R22-L49 HydrophobicContact CB-CD2 3.71Å; R22-L49 HydrophobicContact CG-CD2 4.05Å; L34-L49 HydrophobicContact CD1-CD1 3.97Å; A45-L49 PolarHBondContact O-N 3.22Å; A45-L49 VanDerWaalsContact O-N 3.15Å; V46-L49 PolarHBondContact O-N 2.93Å; V46-L49 VanDerWaalsContact O-N 3.09Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.1Å; L49-E52 CarbonylContact O-C 3.56Å; L49-E52 WeakPolarHBondContact O-CA 3.44Å; L49-E52 WeakPolarHBondContact O-CB 3.28Å; L49-E52 PolarHBondContact O-N 2.84Å; L49-G53 PolarHBondContact O-N 2.88Å; L49-L54 CarbonylContact C-O 3.55Å; L49-L54 HydrophobicContact CB-CB 4.31Å; L49-L54 HydrophobicContact CD2-CD1 4.11Å; L49-L54 WeakPolarHBondContact O-CB 3.44Å; L49-L54 PolarHBondContact O-N 2.9Å; L49-P56 HydrophobicContact CB-CG 3.84Å; L49-P56 HydrophobicContact CD1-CB 4.48Å; L49-P56 HydrophobicContact CD1-CG 3.73Å; L49-P56 HydrophobicContact CG-CG 4.42Å
50Q98.6Very high98.7Very high101 Ų10165 Ų6547%0.47233%0.326SS..Hα-helixtrans-62-37.1172.3-72.6173-16.500112.8V46 A47 K48 E52 G53 L54V46-Q50 HydrophobicContact CG1-CG 4.29Å; V46-Q50 WeakPolarHBondContact O-CG 3.43Å; V46-Q50 PolarHBondContact O-N 2.96Å; A47-Q50 PolarHBondContact O-N 3.46Å; K48-Q50 VanDerWaalsContact C-N 3.34Å; Q50-E52 PolarHBondContact O-N 2.85Å; Q50-G53 PolarHBondContact O-N 3.26Å; Q50-L54 WeakPolarHBondContact CA-O 3.3Å; Q50-L54 PolarHBondContact N-O 2.71Å
51K98.6Very high98.7Very high185 Ų18563.7 Ų63.780%0.80431%0.311SS*.Hα-helixtrans-65.9-20.7172.4-68.3173.4-178.7-178.30113A47 K48 L49 G53A47-K51 WeakPolarHBondContact O-CG 3.25Å; A47-K51 PolarHBondContact O-N 3.36Å; K48-K51 WeakPolarHBondContact O-CB 3.29Å; K48-K51 PolarHBondContact O-N 3.21Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.1Å; K51-G53 VanDerWaalsContact C-N 3.29Å
52E98.3Very high98.7Very high86 Ų8659.6 Ų59.640%0.40230%0.299SS..THydrogen-bonded Turntrans-874.3172.1-58.2-176.7-147.900112.8R22 K48 L49 Q50 L54R22-E52 WeakPolarHBondContact CD-OE2 3.14Å; R22-E52 IonicContact NH1-OE1 3.94Å; R22-E52 PolarHBondContact NH1-OE1 2.9Å; R22-E52 IonicContact NH1-OE2 2.97Å; R22-E52 PolarHBondContact NH1-OE2 3.18Å; K48-E52 PolarHBondContact O-N 2.79Å; L49-E52 CarbonylContact O-C 3.56Å; L49-E52 WeakPolarHBondContact O-CA 3.44Å; L49-E52 WeakPolarHBondContact O-CB 3.28Å; L49-E52 PolarHBondContact O-N 2.84Å; Q50-E52 PolarHBondContact O-N 2.85Å; E52-L54 HydrophobicContact CB-CD1 4.39Å; E52-L54 HydrophobicContact CB-CG 4.42Å
53G98.6Very high98.7Very high53 Ų5360 Ų6055%0.54630%0.301SS..THydrogen-bonded Turntrans77.818.2-176.700000114.2L49 Q50 K51L49-G53 PolarHBondContact O-N 2.88Å; Q50-G53 PolarHBondContact O-N 3.26Å; K51-G53 VanDerWaalsContact C-N 3.29Å
54L98.8Very high98.7Very high17 Ų1756.6 Ų56.69%0.08929%0.286CS..  trans-106.9150.9179.3-56.1173000110.9R22 C25 K26 L49 Q50 E52 P56R22-L54 HydrophobicContact CB-CD1 4.39Å; R22-L54 HydrophobicContact CG-CD1 3.71Å; C25-L54 HydrophobicContact CB-CB 4.04Å; C25-L54 HydrophobicContact CB-CD1 4.2Å; C25-L54 HydrophobicContact CB-CD2 3.97Å; C25-L54 HydrophobicContact CB-CG 4.3Å; K26-L54 HydrophobicContact CG-CD1 4.46Å; K26-L54 HydrophobicContact CG-CD2 3.74Å; L49-L54 CarbonylContact C-O 3.55Å; L49-L54 HydrophobicContact CB-CB 4.31Å; L49-L54 HydrophobicContact CD2-CD1 4.11Å; L49-L54 WeakPolarHBondContact O-CB 3.44Å; L49-L54 PolarHBondContact O-N 2.9Å; Q50-L54 WeakPolarHBondContact CA-O 3.3Å; Q50-L54 PolarHBondContact N-O 2.71Å; E52-L54 HydrophobicContact CB-CD1 4.39Å; E52-L54 HydrophobicContact CB-CG 4.42Å; L54-P56 VanDerWaalsContact C-CD 3.42Å; L54-P56 WeakPolarHBondContact O-CD 2.95Å
55H98.4Very high98.7Very high147 Ų14754.7 Ų54.768%0.68128%0.28SS*.  trans-126.260.2-173.1-57.6-70.6000112.8
56P98.7Very high98.7Very high5 Ų558 Ų583%0.03230%0.297CS..  trans-64.9146.3171.930.3-35000110.6V21 V32 L34 V46 L49 L54V21-P56 HydrophobicContact CG1-CB 3.76Å; V21-P56 HydrophobicContact CG1-CG 4.36Å; V32-P56 WeakPolarHBondContact O-CA 3.38Å; L34-P56 HydrophobicContact CB-CB 4.37Å; V46-P56 HydrophobicContact CG1-CG 4.31Å; V46-P56 HydrophobicContact CG2-CG 4.22Å; L49-P56 HydrophobicContact CB-CG 3.84Å; L49-P56 HydrophobicContact CD1-CB 4.48Å; L49-P56 HydrophobicContact CD1-CG 3.73Å; L49-P56 HydrophobicContact CG-CG 4.42Å; L54-P56 VanDerWaalsContact C-CD 3.42Å; L54-P56 WeakPolarHBondContact O-CD 2.95Å
57L98.8Very high98.7Very high58 Ų5863.4 Ų63.430%0.30432%0.321SS..EExtended strand (participates in β ladder)trans-87.6160.4169.1-58.7176.7000109.6D31 V32 Y33 L34D31-L57 HydrophobicContact CB-CD1 3.95Å; V32-L57 PolarHBondContact O-N 3.07Å; Y33-L57 WeakPolarHBondContact CA-O 3.5Å; Y33-L57 HydrophobicContact CD1-CB 3.79Å; Y33-L57 HydrophobicContact CD2-CB 4.37Å; Y33-L57 HydrophobicContact CE1-CB 3.56Å; Y33-L57 HydrophobicContact CE1-CD1 4.21Å; Y33-L57 HydrophobicContact CE2-CB 4.15Å; Y33-L57 HydrophobicContact CE2-CD1 3.73Å; Y33-L57 HydrophobicContact CG-CB 4.19Å; Y33-L57 VanDerWaalsContact OH-CD1 3.28Å; Y33-L57 WeakPolarHBondContact OH-CD1 3.46Å; L34-L57 PolarHBondContact N-O 3.23Å
58F98.9Very high98.7Very high55 Ų5561.9 Ų61.924%0.24131%0.308CS..EExtended strand (participates in β ladder)trans-118139.5178.5-178-110.2000111.6L34 A36 P39 Q43 V46 Q60L34-F58 HydrophobicContact CD2-CD2 3.98Å; L34-F58 HydrophobicContact CD2-CE2 4.24Å; L34-F58 WeakPolarHBondContact O-CA 3.45Å; L34-F58 VanDerWaalsContact O-CD2 3.22Å; L34-F58 WeakPolarHBondContact O-CD2 3.2Å; A36-F58 HydrophobicContact CB-CE2 4.08Å; P39-F58 HydrophobicContact CB-CE1 4.33Å; P39-F58 HydrophobicContact CB-CZ 4.49Å; Q43-F58 HydrophobicContact CG-CD1 4.28Å; V46-F58 HydrophobicContact CG2-CB 4.06Å; F58-Q60 HydrophobicContact CE1-CB 4.43Å; F58-Q60 HydrophobicContact CZ-CB 4.31Å
59H98.9Very high98.7Very high37 Ų3756.5 Ų56.517%0.17129%0.285CS..EExtended strand (participates in β ladder)trans-142.6139.4161.6-164.4-73000108.8Y33 L34 T35 L72 F75Y33-H59 HydrophobicContact CD1-CB 3.9Å; Y33-H59 HydrophobicContact CE1-CB 4.36Å; L34-H59 PolarHBondContact O-N 3.33Å; T35-H59 VanDerWaalsContact CA-O 3.23Å; T35-H59 WeakPolarHBondContact CA-O 3.36Å; T35-H59 VanDerWaalsContact CB-O 3.31Å; T35-H59 WeakPolarHBondContact CB-O 3.34Å; H59-L72 HydrophobicContact CB-CD1 4.03Å; H59-F75 AromaticContact CD2-CD1 3.53Å; H59-F75 AromaticContact CD2-CE1 3.88Å; H59-F75 AromaticContact CD2-CG 3.61Å; H59-F75 AromaticContact NE2-CG 3.68Å
60Q98.9Very high98.8Very high58 Ų5859.2 Ų59.227%0.27130%0.297SS..EExtended strand (participates in β ladder)trans-67.5139.9175.9-170.1-79.2-23.800109.8A36 R37 P39 F58 S68A36-Q60 WeakPolarHBondContact O-CA 3.47Å; R37-Q60 PolarHBondContact O-NE2 3.48Å; P39-Q60 HydrophobicContact CG-CG 3.92Å; F58-Q60 HydrophobicContact CE1-CB 4.43Å; F58-Q60 HydrophobicContact CZ-CB 4.31Å; Q60-S68 PolarHBondContact OE1-OG 3.46Å
61L98.9Very high98.8Very high5 Ų556.8 Ų56.83%0.02629%0.294CS..  trans-153.4115.9172.1-178.766.2000110.4T10 T35 A36 R37 I63 S68 I69 L72T10-L61 HydrophobicContact CG2-CD2 3.55Å; T35-L61 HydrophobicContact CG2-CB 4.33Å; A36-L61 CarbonylContact C-O 3.56Å; A36-L61 PolarHBondContact O-N 3.17Å; R37-L61 WeakPolarHBondContact CA-O 3.21Å; R37-L61 PolarHBondContact N-O 3.31Å; L61-I63 HydrophobicContact CD2-CG2 4.12Å; L61-I63 HydrophobicContact CG-CG2 4.2Å; L61-S68 WeakPolarHBondContact CA-OG 3.35Å; L61-I69 HydrophobicContact CD1-CB 4.41Å; L61-I69 HydrophobicContact CD1-CG1 3.95Å; L61-L72 HydrophobicContact CB-CD2 4.34Å; L61-L72 HydrophobicContact CD1-CB 4.33Å; L61-L72 HydrophobicContact CD1-CD2 3.85Å; L61-L72 HydrophobicContact CD2-CD2 3.73Å; L61-L72 HydrophobicContact CG-CD2 4.18Å
62D98.9Very high98.8Very high41 Ų4148 Ų4822%0.21926%0.255CS..  trans-105.7120.4159.5-162.7-30.4000109.1R37 D64 D65 S68R37-D62 HydrophobicContact CB-CB 3.69Å; R37-D62 WeakPolarHBondContact CB-OD2 3.31Å; D62-D64 PolarHBondContact O-N 3.1Å; D62-D64 PolarHBondContact OD1-N 2.98Å; D62-D65 HydrophobicContact CB-CB 4.24Å; D62-D65 PolarHBondContact O-N 2.93Å; D62-S68 PolarHBondContact N-OG 3.43Å
63I98.8Very high98.8Very high8 Ų847 Ų474%0.04125%0.248CC..THydrogen-bonded Turntrans-74.3-12.7-177.669.1165.8000112.5L61 I69 A90 T112 G116 V120L61-I63 HydrophobicContact CD2-CG2 4.12Å; L61-I63 HydrophobicContact CG-CG2 4.2Å; I63-I69 WeakPolarHBondContact O-CD1 3.4Å; I63-A90 HydrophobicContact CD1-CB 3.8Å; I63-A90 HydrophobicContact CG1-CB 4.37Å; I63-A90 HydrophobicContact CG2-CB 4.24Å; I63-T112 HydrophobicContact CD1-CG2 3.85Å; I63-T112 VanDerWaalsContact CD1-O 3.28Å; I63-T112 WeakPolarHBondContact CD1-O 3.38Å; I63-T112 HydrophobicContact CG1-CG2 4.14Å; I63-G116 WeakPolarHBondContact O-CA 3.42Å; I63-V120 HydrophobicContact CB-CG2 3.82Å; I63-V120 HydrophobicContact CG2-CG2 3.53Å
64D98.8Very high98.8Very high49 Ų4948.1 Ų48.126%0.26224%0.242SC..THydrogen-bonded Turntrans-89.7-3.9174.4-71.3-31.9000113D62 T112D62-D64 PolarHBondContact O-N 3.1Å; D62-D64 PolarHBondContact OD1-N 2.98Å; D64-T112 WeakPolarHBondContact OD1-CA 3.18Å; D64-T112 PolarHBondContact OD1-N 2.88Å; D64-T112 PolarHBondContact OD2-OG1 2.99Å
65D98.9Very high98.8Very high75 Ų7549.9 Ų49.940%0.40125%0.248SC..  trans-115110.4176.6177.56.2000110.9D62 Q67 S68 I69D62-D65 HydrophobicContact CB-CB 4.24Å; D62-D65 PolarHBondContact O-N 2.93Å; D65-Q67 PolarHBondContact O-N 2.94Å; D65-Q67 PolarHBondContact OD1-N 2.71Å; D65-S68 WeakPolarHBondContact O-CB 3.17Å; D65-S68 PolarHBondContact O-N 2.63Å; D65-I69 WeakPolarHBondContact O-CG1 3.45Å; D65-I69 PolarHBondContact O-N 2.96Å; D65-I69 VanDerWaalsContact O-N 3.07Å
66L98.7Very high98.9Very high70 Ų7042.9 Ų42.937%0.36622%0.216SC..Hα-helixtrans-62.3-30.5-179.5-173.861.1000113I69 K70 E123L66-I69 PolarHBondContact O-N 3.41Å; L66-K70 HydrophobicContact CG-CD 4.26Å; L66-K70 WeakPolarHBondContact O-CB 3.24Å; L66-K70 VanDerWaalsContact O-CG 3.29Å; L66-K70 WeakPolarHBondContact O-CG 3.29Å; L66-K70 PolarHBondContact O-N 3.21Å; L66-E123 HydrophobicContact CD1-CG 4.23Å
67Q98.8Very high98.8Very high130 Ų13046.7 Ų46.761%0.60723%0.233SC*.Hα-helixtrans-72.5-39177.2-64.8-62-10.600111.2D65 I69 K70 A71D65-Q67 PolarHBondContact O-N 2.94Å; D65-Q67 PolarHBondContact OD1-N 2.71Å; Q67-I69 VanDerWaalsContact C-N 3.33Å; Q67-I69 PolarHBondContact O-N 3.36Å; Q67-K70 PolarHBondContact O-N 2.69Å; Q67-A71 WeakPolarHBondContact O-CB 3.47Å; Q67-A71 PolarHBondContact O-N 2.67Å
68S98.9Very high98.8Very high6 Ų651.5 Ų51.54%0.04226%0.255CS..Hα-helixtrans-58.5-44171.5-178.70000111.7Q60 L61 D62 D65 A71 L72Q60-S68 PolarHBondContact OE1-OG 3.46Å; L61-S68 WeakPolarHBondContact CA-OG 3.35Å; D62-S68 PolarHBondContact N-OG 3.43Å; D65-S68 WeakPolarHBondContact O-CB 3.17Å; D65-S68 PolarHBondContact O-N 2.63Å; S68-A71 PolarHBondContact O-N 3.19Å; S68-L72 PolarHBondContact O-N 3.29Å
69I98.9Very high98.8Very high0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-62.2-46.5175.9-61.1167.3000111.2L61 I63 D65 L66 Q67 A71 L72 R73 N119 V120 E123L61-I69 HydrophobicContact CD1-CB 4.41Å; L61-I69 HydrophobicContact CD1-CG1 3.95Å; I63-I69 WeakPolarHBondContact O-CD1 3.4Å; D65-I69 WeakPolarHBondContact O-CG1 3.45Å; D65-I69 PolarHBondContact O-N 2.96Å; D65-I69 VanDerWaalsContact O-N 3.07Å; L66-I69 PolarHBondContact O-N 3.41Å; Q67-I69 VanDerWaalsContact C-N 3.33Å; Q67-I69 PolarHBondContact O-N 3.36Å; I69-A71 PolarHBondContact O-N 3.3Å; I69-L72 PolarHBondContact O-N 3.34Å; I69-R73 PolarHBondContact O-N 3.31Å; I69-N119 HydrophobicContact CD1-CB 3.64Å; I69-V120 HydrophobicContact CD1-CG2 3.92Å; I69-V120 HydrophobicContact CG1-CG2 4.04Å; I69-E123 HydrophobicContact CG2-CB 3.59Å; I69-E123 HydrophobicContact CG2-CG 3.72Å
70K98.9Very high98.8Very high58 Ų5851.4 Ų51.425%0.25225%0.253SS..Hα-helixtrans-64.8-38.4179.6-75175174.31790112.5L66 Q67 L72 R73 D74 E123L66-K70 HydrophobicContact CG-CD 4.26Å; L66-K70 WeakPolarHBondContact O-CB 3.24Å; L66-K70 VanDerWaalsContact O-CG 3.29Å; L66-K70 WeakPolarHBondContact O-CG 3.29Å; L66-K70 PolarHBondContact O-N 3.21Å; Q67-K70 PolarHBondContact O-N 2.69Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 2.94Å; K70-R73 WeakPolarHBondContact O-CB 3.18Å; K70-R73 PolarHBondContact O-N 3.28Å; K70-D74 VanDerWaalsContact O-CG 3.26Å; K70-D74 PolarHBondContact O-N 3.08Å; K70-E123 WeakPolarHBondContact CE-OE1 3.35Å; K70-E123 HydrophobicContact CG-CG 4.49Å
71A98.9Very high98.7Very high49 Ų4949.6 Ų49.641%0.40525%0.251SS..Hα-helixtrans-59.9-44174.400000111.6Q67 S68 I69 F75Q67-A71 WeakPolarHBondContact O-CB 3.47Å; Q67-A71 PolarHBondContact O-N 2.67Å; S68-A71 PolarHBondContact O-N 3.19Å; I69-A71 PolarHBondContact O-N 3.3Å; A71-F75 VanDerWaalsContact O-CB 3.32Å; A71-F75 WeakPolarHBondContact O-CB 3.49Å; A71-F75 PolarHBondContact O-N 3.49Å
72L98.9Very high98.7Very high0 Ų049.4 Ų49.40%025%0.249CC..Hα-helixtrans-64.7-42.3174.2176.463.5000112.1V8 T35 H59 L61 S68 I69 K70 F75 L76 L124V8-L72 HydrophobicContact CG1-CD2 4.22Å; T35-L72 HydrophobicContact CG2-CD2 4.43Å; H59-L72 HydrophobicContact CB-CD1 4.03Å; L61-L72 HydrophobicContact CB-CD2 4.34Å; L61-L72 HydrophobicContact CD1-CB 4.33Å; L61-L72 HydrophobicContact CD1-CD2 3.85Å; L61-L72 HydrophobicContact CD2-CD2 3.73Å; L61-L72 HydrophobicContact CG-CD2 4.18Å; S68-L72 PolarHBondContact O-N 3.29Å; I69-L72 PolarHBondContact O-N 3.34Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 2.94Å; L72-F75 HydrophobicContact CD1-CD1 4.29Å; L72-F75 PolarHBondContact O-N 3.1Å; L72-L76 HydrophobicContact CD1-CD1 3.98Å; L72-L76 HydrophobicContact CD1-CG 4.03Å; L72-L76 HydrophobicContact CG-CD1 3.92Å; L72-L76 HydrophobicContact CG-CG 4.39Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 2.96Å; L72-L124 HydrophobicContact CD2-CD1 4.1Å
73R98.9Very high98.7Very high65 Ų6547.4 Ų47.425%0.24524%0.239CC..Hα-helixtrans-56.1-52.4176.1178-15868-167.41.7110.9I69 K70 F75 L76 Q77 E123 L124 L127I69-R73 PolarHBondContact O-N 3.31Å; K70-R73 WeakPolarHBondContact O-CB 3.18Å; K70-R73 PolarHBondContact O-N 3.28Å; R73-F75 VanDerWaalsContact C-N 3.33Å; R73-F75 PolarHBondContact O-N 2.98Å; R73-L76 PolarHBondContact O-N 3.32Å; R73-Q77 WeakPolarHBondContact O-CB 3.4Å; R73-Q77 PolarHBondContact O-N 3.19Å; R73-E123 WeakPolarHBondContact CD-OE2 3.48Å; R73-E123 IonicContact CZ-OE2 2.85Å; R73-E123 IonicContact NE-OE2 2.67Å; R73-E123 IonicContact NH1-OE2 2.73Å; R73-E123 PolarHBondContact NH1-OE2 2.82Å; R73-L124 HydrophobicContact CB-CD2 3.66Å; R73-L124 HydrophobicContact CG-CD2 4.18Å; R73-L127 HydrophobicContact CG-CD1 3.9Å; R73-L127 HydrophobicContact CG-CD2 3.83Å; R73-L127 WeakPolarHBondContact O-CD2 3.44Å
74D98.9Very high98.7Very high78 Ų7848.6 Ų48.642%0.41725%0.245SC..Hα-helixtrans-63.6-42.4-176.4-66.6-15.8000110.8K70 L76 Q77 E78K70-D74 VanDerWaalsContact O-CG 3.26Å; K70-D74 PolarHBondContact O-N 3.08Å; D74-L76 PolarHBondContact O-N 3.49Å; D74-Q77 PolarHBondContact O-N 3.42Å; D74-E78 WeakPolarHBondContact O-CB 3.47Å; D74-E78 PolarHBondContact O-N 3.41Å
75F98.9Very high98.7Very high53 Ų5346.5 Ų46.523%0.23223%0.234CC..Hα-helixtrans-57.1-48172.9169.9-99.6000113.1Y33 H59 A71 L72 R73 E78 K79 Y80Y33-F75 HydrophobicContact CD1-CE1 4.28Å; Y33-F75 AromaticContact CE1-CE1 3.49Å; Y33-F75 HydrophobicContact CE1-CE1 3.49Å; Y33-F75 VanDerWaalsContact CE1-CE1 3.49Å; Y33-F75 AromaticContact CE1-CZ 3.66Å; Y33-F75 HydrophobicContact CE1-CZ 3.66Å; Y33-F75 HydrophobicContact CE2-CE1 4.26Å; Y33-F75 AromaticContact CZ-CE1 3.5Å; Y33-F75 VanDerWaalsContact CZ-CE1 3.5Å; Y33-F75 AromaticContact CZ-CZ 3.61Å; Y33-F75 WeakPolarHBondContact OH-CZ 3.23Å; H59-F75 AromaticContact CD2-CD1 3.53Å; H59-F75 AromaticContact CD2-CE1 3.88Å; H59-F75 AromaticContact CD2-CG 3.61Å; H59-F75 AromaticContact NE2-CG 3.68Å; A71-F75 VanDerWaalsContact O-CB 3.32Å; A71-F75 WeakPolarHBondContact O-CB 3.49Å; A71-F75 PolarHBondContact O-N 3.49Å; L72-F75 HydrophobicContact CD1-CD1 4.29Å; L72-F75 PolarHBondContact O-N 3.1Å; R73-F75 VanDerWaalsContact C-N 3.33Å; R73-F75 PolarHBondContact O-N 2.98Å; F75-E78 PolarHBondContact O-N 3.35Å; F75-K79 HydrophobicContact CE1-CD 4.43Å; F75-K79 HydrophobicContact CE2-CD 3.78Å; F75-K79 HydrophobicContact CZ-CD 3.62Å; F75-K79 VanDerWaalsContact O-CB 3.24Å; F75-K79 WeakPolarHBondContact O-CB 3.34Å; F75-K79 PolarHBondContact O-N 3.24Å; F75-Y80 HydrophobicContact CE1-CE2 4.32Å
76L98.8Very high98.7Very high0 Ų042.9 Ų42.90%022%0.215CC..Hα-helixtrans-65.8-40.2179.2-70.6169.4000111.7V6 V8 L72 R73 D74 Y80 G81 G82 L83 L124 L127V6-L76 HydrophobicContact CG1-CD2 4.44Å; V6-L76 HydrophobicContact CG2-CD2 4.37Å; V8-L76 HydrophobicContact CG2-CD1 4.11Å; V8-L76 HydrophobicContact CG2-CD2 4Å; L72-L76 HydrophobicContact CD1-CD1 3.98Å; L72-L76 HydrophobicContact CD1-CG 4.03Å; L72-L76 HydrophobicContact CG-CD1 3.92Å; L72-L76 HydrophobicContact CG-CG 4.39Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.43Å; L72-L76 PolarHBondContact O-N 2.96Å; R73-L76 PolarHBondContact O-N 3.32Å; D74-L76 PolarHBondContact O-N 3.49Å; L76-Y80 HydrophobicContact CD2-CD2 4.13Å; L76-Y80 CarbonylContact O-C 3.5Å; L76-Y80 WeakPolarHBondContact O-CA 3.43Å; L76-Y80 WeakPolarHBondContact O-CB 3.41Å; L76-Y80 PolarHBondContact O-N 3.21Å; L76-G81 PolarHBondContact O-N 2.87Å; L76-G81 VanDerWaalsContact O-N 3.12Å; L76-G82 PolarHBondContact O-N 3.06Å; L76-L83 HydrophobicContact CD1-CD1 4.37Å; L76-L124 HydrophobicContact CD1-CD2 4.24Å; L76-L127 HydrophobicContact CB-CD2 4.07Å
77Q98.3Very high98.7Very high85 Ų8539.6 Ų39.640%0.39720%0.198SC..Hα-helixtrans-64.2-46.8176.9-175.959.45500111.5R73 D74 G81 L127R73-Q77 WeakPolarHBondContact O-CB 3.4Å; R73-Q77 PolarHBondContact O-N 3.19Å; D74-Q77 PolarHBondContact O-N 3.42Å; Q77-G81 WeakPolarHBondContact O-CA 3.29Å; Q77-G81 PolarHBondContact O-N 3Å; Q77-L127 HydrophobicContact CB-CD2 4.13Å
78E98.3Very high98.7Very high160 Ų16033.5 Ų33.575%0.74817%0.169SC*.Hα-helixtrans-67.9-49.1-178.6-174.1-178.5167.700111.6D74 F75D74-E78 WeakPolarHBondContact O-CB 3.47Å; D74-E78 PolarHBondContact O-N 3.41Å; F75-E78 PolarHBondContact O-N 3.35Å
79K98.4Very high98.7Very high88 Ų8834.2 Ų34.238%0.38317%0.173SC..Hα-helixtrans-77.9-45.5-173.1-173.4169.3175.9-178.10112.6S2 Y33 F75S2-K79 WeakPolarHBondContact CB-O 3.49Å; S2-K79 PolarHBondContact N-O 2.78Å; Y33-K79 PolarHBondContact OH-NZ 3.19Å; F75-K79 HydrophobicContact CE1-CD 4.43Å; F75-K79 HydrophobicContact CE2-CD 3.78Å; F75-K79 HydrophobicContact CZ-CD 3.62Å; F75-K79 VanDerWaalsContact O-CB 3.24Å; F75-K79 WeakPolarHBondContact O-CB 3.34Å; F75-K79 PolarHBondContact O-N 3.24Å
80Y98.4Very high98.7Very high1 Ų135 Ų350%0.00418%0.179CC..Hα-helixtrans-112.4-12-171.8-62-85.3000113.4I4 V6 D31 Y33 F75 L76 G82 K129I4-Y80 WeakPolarHBondContact O-CD1 3.45Å; V6-Y80 HydrophobicContact CB-CD1 3.81Å; V6-Y80 HydrophobicContact CB-CD2 4.35Å; V6-Y80 HydrophobicContact CB-CE1 3.92Å; V6-Y80 HydrophobicContact CB-CE2 4.45Å; V6-Y80 HydrophobicContact CB-CG 4.06Å; V6-Y80 HydrophobicContact CG1-CD1 3.94Å; V6-Y80 HydrophobicContact CG1-CD2 4.13Å; V6-Y80 HydrophobicContact CG1-CG 3.75Å; V6-Y80 HydrophobicContact CG2-CD1 4.44Å; V6-Y80 HydrophobicContact CG2-CD2 4.3Å; V6-Y80 HydrophobicContact CG2-CE1 4.21Å; V6-Y80 HydrophobicContact CG2-CE2 4.06Å; V6-Y80 HydrophobicContact CG2-CG 4.5Å; D31-Y80 HydrophobicContact CB-CE1 4.23Å; D31-Y80 VanDerWaalsContact OD2-CE1 3.28Å; D31-Y80 WeakPolarHBondContact OD2-CE1 3.39Å; D31-Y80 VanDerWaalsContact OD2-CZ 3.31Å; D31-Y80 PolarHBondContact OD2-OH 3Å; Y33-Y80 AromaticContact CE2-CE2 3.65Å; Y33-Y80 HydrophobicContact CE2-CE2 3.65Å; Y33-Y80 AromaticContact CE2-CZ 3.73Å; Y33-Y80 VanDerWaalsContact CE2-OH 3.28Å; Y33-Y80 WeakPolarHBondContact CE2-OH 3.48Å; Y33-Y80 AromaticContact CZ-CE2 3.95Å; Y33-Y80 PolarHBondContact OH-OH 2.89Å; F75-Y80 HydrophobicContact CE1-CE2 4.32Å; L76-Y80 HydrophobicContact CD2-CD2 4.13Å; L76-Y80 CarbonylContact O-C 3.5Å; L76-Y80 WeakPolarHBondContact O-CA 3.43Å; L76-Y80 WeakPolarHBondContact O-CB 3.41Å; L76-Y80 PolarHBondContact O-N 3.21Å; Y80-G82 VanDerWaalsContact CB-O 3.25Å; Y80-G82 WeakPolarHBondContact CB-O 3.49Å; Y80-G82 PolarHBondContact O-N 2.65Å; Y80-K129 VanDerWaalsContact O-CE 3.29Å; Y80-K129 WeakPolarHBondContact O-CE 3.26Å; Y80-K129 PolarHBondContact O-NZ 2.96Å
81G98.1Very high98.6Very high21 Ų2133.4 Ų33.422%0.21618%0.179CC..SBendtrans6821.7-171.200000113.6M1 L76 Q77M1-G81 WeakPolarHBondContact SD-CA 3.36Å; L76-G81 PolarHBondContact O-N 2.87Å; L76-G81 VanDerWaalsContact O-N 3.12Å; Q77-G81 WeakPolarHBondContact O-CA 3.29Å; Q77-G81 PolarHBondContact O-N 3Å
82G98.3Very high98.6Very high0 Ų033.2 Ų33.20%017%0.171CC..SBendtrans136.5-161.4-176.900000113.1L76 Y80 L127L76-G82 PolarHBondContact O-N 3.06Å; Y80-G82 VanDerWaalsContact CB-O 3.25Å; Y80-G82 WeakPolarHBondContact CB-O 3.49Å; Y80-G82 PolarHBondContact O-N 2.65Å; G82-L127 CarbonylContact C-O 3.22Å; G82-L127 WeakPolarHBondContact CA-O 3.1Å
83L98.5Very high98.6Very high0 Ų034.9 Ų34.90%018%0.184CC..EExtended strand (participates in β ladder)trans-141.5157.5175.774.5169.7000113.4V6 V8 L76 L86 L124 L127 V128 K129V6-L83 HydrophobicContact CG1-CB 3.86Å; V8-L83 HydrophobicContact CB-CD1 4.43Å; V8-L83 HydrophobicContact CG2-CD1 4.15Å; L76-L83 HydrophobicContact CD1-CD1 4.37Å; L83-L86 HydrophobicContact CD1-CB 3.84Å; L83-L86 HydrophobicContact CD1-CD1 4.22Å; L83-L86 HydrophobicContact CD1-CG 4.47Å; L83-L124 WeakPolarHBondContact CD2-O 3.34Å; L83-L127 HydrophobicContact CD2-CB 3.48Å; L83-L127 VanDerWaalsContact CD2-CB 3.48Å; L83-L127 PolarHBondContact N-O 3.24Å; L83-V128 HydrophobicContact CD2-CG2 3.86Å; L83-V128 HydrophobicContact CG-CG2 4.25Å; L83-V128 CarbonylContact O-C 3.56Å; L83-V128 WeakPolarHBondContact O-CA 3.45Å; L83-K129 PolarHBondContact O-N 2.96Å
84N98.8Very high98.5Very high33 Ų3334.3 Ų34.318%0.17618%0.184CC..EExtended strand (participates in β ladder)trans-102.1-38.9-179.2-61.481.8000111.9P5 V6 F28 G132 R133P5-N84 VanDerWaalsContact CA-OD1 3.24Å; P5-N84 WeakPolarHBondContact CA-OD1 3.34Å; P5-N84 HydrophobicContact CB-CB 4.46Å; V6-N84 PolarHBondContact N-OD1 2.94Å; V6-N84 WeakPolarHBondContact O-CB 3.42Å; V6-N84 PolarHBondContact O-N 2.8Å; F28-N84 HydrophobicContact CZ-CB 4.12Å; N84-G132 CarbonylContact O-C 3.59Å; N84-G132 WeakPolarHBondContact O-CA 3.48Å; N84-R133 PolarHBondContact O-N 2.84Å
85V98.9Very high98.3Very high4 Ų435.6 Ų35.62%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-130.2129.1-179.21750000110.3V6 A7 V8 F28 V87 R133 A254V6-V85 PolarHBondContact O-N 3.38Å; V6-V85 VanDerWaalsContact O-N 3.1Å; A7-V85 CarbonylContact C-O 3.56Å; A7-V85 WeakPolarHBondContact CA-O 3.39Å; A7-V85 HydrophobicContact CB-CB 3.72Å; A7-V85 HydrophobicContact CB-CG1 4.16Å; A7-V85 HydrophobicContact CB-CG2 4.47Å; V8-V85 PolarHBondContact N-O 2.99Å; F28-V85 HydrophobicContact CD2-CG2 4.25Å; F28-V85 HydrophobicContact CE2-CG2 3.71Å; F28-V85 HydrophobicContact CZ-CG2 4.37Å; V85-V87 HydrophobicContact CG1-CG2 4.01Å; V85-R133 VanDerWaalsContact CA-O 3.3Å; V85-R133 WeakPolarHBondContact CA-O 3.42Å; V85-R133 HydrophobicContact CG2-CB 4.48Å; V85-A254 HydrophobicContact CG1-CB 3.73Å; V85-A254 WeakPolarHBondContact CG2-O 3.24Å
86L98.9Very high97.8Very high0 Ų040.2 Ų40.20%022%0.218CC..EExtended strand (participates in β ladder)trans-121122.1171.3179.459.3000109.9V8 L83 V120 L124 R133 V134 V135V8-L86 HydrophobicContact CB-CD1 4.37Å; V8-L86 HydrophobicContact CG1-CD1 4.49Å; L83-L86 HydrophobicContact CD1-CB 3.84Å; L83-L86 HydrophobicContact CD1-CD1 4.22Å; L83-L86 HydrophobicContact CD1-CG 4.47Å; L86-V120 HydrophobicContact CD1-CG1 4.46Å; L86-V120 HydrophobicContact CD2-CG1 4.43Å; L86-L124 HydrophobicContact CD1-CD1 4.07Å; L86-L124 HydrophobicContact CD2-CB 4.06Å; L86-R133 PolarHBondContact N-O 2.85Å; L86-V134 HydrophobicContact CB-CG1 4.31Å; L86-V134 HydrophobicContact CB-CG2 4.33Å; L86-V134 HydrophobicContact CD2-CG1 4.35Å; L86-V134 HydrophobicContact CG-CG1 4.5Å; L86-V134 CarbonylContact O-C 3.42Å; L86-V134 WeakPolarHBondContact O-CA 3.07Å; L86-V135 PolarHBondContact O-N 3.38Å
87V98.9Very high97.4Very high0 Ų047.8 Ų47.80%026%0.258CS..EExtended strand (participates in β ladder)trans-115.3102173-173.70000109.8V8 V9 T10 I20 V85 N89 V135 V137 A254V8-V87 PolarHBondContact O-N 3.01Å; V9-V87 HydrophobicContact CB-CB 4.47Å; V9-V87 HydrophobicContact CG1-CB 4.19Å; V9-V87 HydrophobicContact CG1-CG1 4.33Å; V9-V87 HydrophobicContact CG2-CB 4.24Å; V9-V87 HydrophobicContact CG2-CG2 4.41Å; T10-V87 PolarHBondContact N-O 3.28Å; I20-V87 HydrophobicContact CD1-CG1 4.05Å; I20-V87 HydrophobicContact CG2-CG1 4.36Å; I20-V87 HydrophobicContact CG2-CG2 4.37Å; V85-V87 HydrophobicContact CG1-CG2 4.01Å; V87-N89 HydrophobicContact CG1-CB 4.19Å; V87-N89 PolarHBondContact O-N 3.38Å; V87-V135 CarbonylContact C-O 3.54Å; V87-V135 WeakPolarHBondContact CA-O 3.49Å; V87-V135 HydrophobicContact CG1-CB 4.25Å; V87-V135 HydrophobicContact CG1-CG1 4.48Å; V87-V135 HydrophobicContact CG2-CB 4.26Å; V87-V135 HydrophobicContact CG2-CG2 4.44Å; V87-V137 HydrophobicContact CG1-CG2 4.22Å; V87-A254 HydrophobicContact CG2-CB 4.25Å
88N98.9Very high97.2Very high3 Ų346.5 Ų46.52%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-78.286.6171.5-70.3-48.2000109.6T10 T117 V120 C121 V135 N136 V137T10-N88 WeakPolarHBondContact OG1-CA 3.48Å; N88-T117 HydrophobicContact CB-CG2 4.02Å; N88-V120 VanDerWaalsContact OD1-CG1 3.24Å; N88-V120 WeakPolarHBondContact OD1-CG1 3.36Å; N88-C121 PolarHBondContact ND2-SG 3.43Å; N88-C121 VanDerWaalsContact ND2-SG 3.36Å; N88-V135 PolarHBondContact N-O 2.88Å; N88-N136 WeakPolarHBondContact CB-OD1 3.24Å; N88-N136 PolarHBondContact ND2-OD1 2.82Å; N88-V137 PolarHBondContact O-N 3.38Å
89N98.9Very high97.1Very high21 Ų2145.5 Ų45.511%0.11226%0.258CS..  trans-100.6-28-179.3158.489.8000113.3V9 T10 G11 G17 I20 V87 G91 V137V9-N89 HydrophobicContact CG1-CB 4.27Å; T10-N89 WeakPolarHBondContact O-CB 3.44Å; T10-N89 PolarHBondContact O-ND2 3.29Å; T10-N89 PolarHBondContact OG1-N 3.49Å; G11-N89 PolarHBondContact O-ND2 2.98Å; G11-N89 VanDerWaalsContact O-ND2 3.1Å; G17-N89 VanDerWaalsContact CA-ND2 3.29Å; G17-N89 WeakPolarHBondContact CA-ND2 3.4Å; G17-N89 PolarHBondContact N-ND2 3.09Å; G17-N89 PolarHBondContact N-OD1 3.49Å; I20-N89 HydrophobicContact CD1-CB 4.41Å; V87-N89 HydrophobicContact CG1-CB 4.19Å; V87-N89 PolarHBondContact O-N 3.38Å; N89-G91 PolarHBondContact O-N 2.9Å; N89-V137 HydrophobicContact CB-CG2 3.91Å
90A98.5Very high97.1Very high16 Ų1643.3 Ų43.313%0.13225%0.252CS..  trans-53135.3-177.800000112.1T10 I63T10-A90 PolarHBondContact O-N 3.3Å; T10-A90 WeakPolarHBondContact OG1-CB 3.36Å; T10-A90 PolarHBondContact OG1-N 3.2Å; I63-A90 HydrophobicContact CD1-CB 3.8Å; I63-A90 HydrophobicContact CG1-CB 4.37Å; I63-A90 HydrophobicContact CG2-CB 4.24Å
91G98.2Very high97.1Very high24 Ų2447.3 Ų47.325%0.24728%0.279CS..  trans-179.4160.8177.600000112.2N89 N113 M234N89-G91 PolarHBondContact O-N 2.9Å; G91-N113 WeakPolarHBondContact CA-OD1 3.3Å; G91-M234 VanDerWaalsContact O-CE 3.25Å; G91-M234 WeakPolarHBondContact O-CE 3.05Å
92I98.4Very high97.1Very high45 Ų4548.7 Ų48.723%0.23128%0.279CS..  trans-129.2160.5-178.761.9169.1000110.7V108 T112 N113 Y193I92-V108 HydrophobicContact CD1-CG1 3.67Å; I92-T112 HydrophobicContact CG1-CG2 4.25Å; I92-T112 HydrophobicContact CG2-CG2 4.33Å; I92-N113 PolarHBondContact N-OD1 2.86Å; I92-N113 PolarHBondContact O-ND2 3.49Å; I92-N113 PolarHBondContact O-OD1 3.38Å; I92-Y193 WeakPolarHBondContact O-CD2 3.48Å
93A97.4Very high97.1Very high35 Ų3549.7 Ų49.729%0.28929%0.287SS..  trans-149.7141169.100000108.2Y193 M234A93-Y193 HydrophobicContact CB-CD2 3.64Å; A93-Y193 HydrophobicContact CB-CE2 4.03Å; A93-Y193 HydrophobicContact CB-CG 4.15Å; A93-M234 HydrophobicContact CB-CG 4.02Å; A93-M234 HydrophobicContact CB-SD 4.11Å
94F97.5Very high97.1Very high54 Ų5452.6 Ų52.624%0.23731%0.305CS..  trans-69.5154.9164.5-72.8-97.7000109.8D98 T100 Q105 V108 T109F94-D98 HydrophobicContact CB-CB 4.13Å; F94-D98 HydrophobicContact CD1-CB 4.33Å; F94-T100 HydrophobicContact CD1-CG2 4.49Å; F94-T100 HydrophobicContact CE1-CG2 3.81Å; F94-T100 HydrophobicContact CZ-CG2 4.32Å; F94-Q105 HydrophobicContact CB-CG 4.28Å; F94-Q105 HydrophobicContact CD1-CG 3.87Å; F94-Q105 HydrophobicContact CD2-CB 3.77Å; F94-Q105 HydrophobicContact CD2-CG 3.87Å; F94-Q105 HydrophobicContact CE1-CG 4.14Å; F94-Q105 HydrophobicContact CE2-CB 3.98Å; F94-Q105 HydrophobicContact CE2-CG 4.17Å; F94-Q105 HydrophobicContact CG-CB 4.14Å; F94-Q105 HydrophobicContact CG-CG 3.72Å; F94-Q105 HydrophobicContact CZ-CB 4.48Å; F94-Q105 HydrophobicContact CZ-CG 4.28Å; F94-V108 HydrophobicContact CE2-CB 3.96Å; F94-V108 HydrophobicContact CE2-CG1 3.93Å; F94-V108 HydrophobicContact CZ-CB 4.05Å; F94-V108 HydrophobicContact CZ-CG1 3.98Å; F94-T109 WeakPolarHBondContact CD2-OG1 3.49Å
95K94.1Very high97.1Very high104 Ų10452.6 Ų52.645%0.45230%0.304SS..  trans-71153.4175.1-64-62.8-176.4174.90110L97 D98 D233 M234K95-L97 PolarHBondContact O-N 3.07Å; K95-L97 VanDerWaalsContact O-N 3.17Å; K95-D98 HydrophobicContact CB-CB 4.25Å; K95-D98 WeakPolarHBondContact O-CB 3.42Å; K95-D98 PolarHBondContact O-N 2.83Å; K95-D233 PolarHBondContact NZ-O 3.5Å; K95-M234 PolarHBondContact NZ-O 3.48Å
96V88.3Confident97.1Very high150 Ų15052.4 Ų52.491%0.90930%0.303SS*.THydrogen-bonded Turntrans-56.9-34.1-179.5176.40000112.3
97L90.3Very high97.1Very high160 Ų16056.5 Ų56.584%0.83832%0.322SS*.THydrogen-bonded Turntrans-10320.1179.3-57.9179000112.8K95K95-L97 PolarHBondContact O-N 3.07Å; K95-L97 VanDerWaalsContact O-N 3.17Å
98D94.9Very high97.1Very high57 Ų5759.1 Ų59.131%0.30534%0.338SS..  trans-70.8131.1176.7-161-61.4000110.6F94 K95 T100 Q105F94-D98 HydrophobicContact CB-CB 4.13Å; F94-D98 HydrophobicContact CD1-CB 4.33Å; K95-D98 HydrophobicContact CB-CB 4.25Å; K95-D98 WeakPolarHBondContact O-CB 3.42Å; K95-D98 PolarHBondContact O-N 2.83Å; D98-T100 WeakPolarHBondContact OD1-CB 3.29Å; D98-T100 PolarHBondContact OD1-N 3.36Å; D98-T100 PolarHBondContact OD1-OG1 3.14Å; D98-Q105 PolarHBondContact O-NE2 3.19Å
99T96.7Very high97.1Very high139 Ų13959.1 Ų59.185%0.85334%0.338SS*.  trans-90.72.1-176.157.40000113.5
100T98.3Very high97.1Very high42 Ų4258.1 Ų58.126%0.25833%0.332SS..SBendtrans-56.4135.4174.4-59.90000109.8F94 D98 F102 V104 Q105F94-T100 HydrophobicContact CD1-CG2 4.49Å; F94-T100 HydrophobicContact CE1-CG2 3.81Å; F94-T100 HydrophobicContact CZ-CG2 4.32Å; D98-T100 WeakPolarHBondContact OD1-CB 3.29Å; D98-T100 PolarHBondContact OD1-N 3.36Å; D98-T100 PolarHBondContact OD1-OG1 3.14Å; T100-F102 PolarHBondContact O-N 2.73Å; T100-V104 HydrophobicContact CG2-CB 3.77Å; T100-V104 HydrophobicContact CG2-CG1 3.61Å; T100-Q105 HydrophobicContact CG2-CG 4Å; T100-Q105 PolarHBondContact O-NE2 3Å
101P98.4Very high97.1Very high86 Ų8662.9 Ų62.956%0.55835%0.35SS*.  trans-53.2138179.1-27.134.6000112.5A103 V104 Q105P101-A103 VanDerWaalsContact C-N 3.26Å; P101-A103 PolarHBondContact O-N 3.21Å; P101-A103 VanDerWaalsContact O-N 3.16Å; P101-V104 HydrophobicContact CB-CG2 4.23Å; P101-V104 HydrophobicContact CG-CG2 4.5Å; P101-V104 WeakPolarHBondContact O-CA 3.45Å; P101-V104 WeakPolarHBondContact O-CB 3.42Å; P101-V104 PolarHBondContact O-N 3.47Å; P101-Q105 PolarHBondContact O-N 2.78Å
102F98.3Very high97.1Very high49 Ų4962.3 Ų62.322%0.21534%0.342CS..Hα-helixtrans-56.7-37.7-173-174.8-115.7000113.4T100 V104 Q105 A106 F174 T178 H183 N190 A192T100-F102 PolarHBondContact O-N 2.73Å; F102-V104 VanDerWaalsContact C-N 3.32Å; F102-V104 PolarHBondContact O-N 2.65Å; F102-Q105 WeakPolarHBondContact O-CB 3.49Å; F102-Q105 PolarHBondContact O-N 3.36Å; F102-Q105 VanDerWaalsContact O-N 3.15Å; F102-A106 WeakPolarHBondContact O-CB 3.18Å; F102-A106 PolarHBondContact O-N 3.3Å; F102-F174 HydrophobicContact CE1-CZ 4.27Å; F102-F174 HydrophobicContact CZ-CZ 4.09Å; F102-T178 HydrophobicContact CD1-CG2 3.77Å; F102-T178 HydrophobicContact CE1-CG2 3.47Å; F102-T178 VanDerWaalsContact CE1-CG2 3.47Å; F102-T178 HydrophobicContact CZ-CG2 4.49Å; F102-H183 AromaticContact CD1-CE1 3.81Å; F102-H183 AromaticContact CD1-NE2 3.9Å; F102-H183 AromaticContact CE1-CD2 3.71Å; F102-H183 AromaticContact CE1-CE1 3.81Å; F102-H183 AromaticContact CE1-NE2 3.45Å; F102-H183 WeakPolarHBondContact CE1-NE2 3.35Å; F102-N190 WeakPolarHBondContact CZ-OD1 3.48Å; F102-A192 HydrophobicContact CE2-CB 4.08Å; F102-A192 HydrophobicContact CZ-CB 4.43Å
103A98.4Very high97.1Very high22 Ų2260.1 Ų60.118%0.18233%0.331CS..Hα-helixtrans-61.2-39175.700000113P101 A106 E107 T178 K179P101-A103 VanDerWaalsContact C-N 3.26Å; P101-A103 PolarHBondContact O-N 3.21Å; P101-A103 VanDerWaalsContact O-N 3.16Å; A103-A106 PolarHBondContact O-N 2.76Å; A103-E107 WeakPolarHBondContact O-CB 3.44Å; A103-E107 PolarHBondContact O-N 2.79Å; A103-T178 WeakPolarHBondContact CA-OG1 3.36Å; A103-K179 HydrophobicContact CB-CB 4.47Å; A103-K179 HydrophobicContact CB-CG 3.99Å
104V98.6Very high97.2Very high61 Ų6158.5 Ų58.537%0.3732%0.317SS..Hα-helixtrans-69.2-39.9174.8177.30000110T100 P101 F102 A106 E107 V108T100-V104 HydrophobicContact CG2-CB 3.77Å; T100-V104 HydrophobicContact CG2-CG1 3.61Å; P101-V104 HydrophobicContact CB-CG2 4.23Å; P101-V104 HydrophobicContact CG-CG2 4.5Å; P101-V104 WeakPolarHBondContact O-CA 3.45Å; P101-V104 WeakPolarHBondContact O-CB 3.42Å; P101-V104 PolarHBondContact O-N 3.47Å; F102-V104 VanDerWaalsContact C-N 3.32Å; F102-V104 PolarHBondContact O-N 2.65Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-A106 PolarHBondContact O-N 3.24Å; V104-E107 PolarHBondContact O-N 3.35Å; V104-V108 HydrophobicContact CG1-CG2 4.17Å; V104-V108 WeakPolarHBondContact O-CB 3.27Å; V104-V108 VanDerWaalsContact O-CG2 3.31Å; V104-V108 WeakPolarHBondContact O-CG2 3.25Å; V104-V108 PolarHBondContact O-N 3.49Å
105Q98.6Very high97.3Very high32 Ų3258.3 Ų58.315%0.1532%0.316CS..Hα-helixtrans-60.4-43.9174.1-59.6-169.227.500111.7F94 D98 T100 P101 F102 T109 A192F94-Q105 HydrophobicContact CB-CG 4.28Å; F94-Q105 HydrophobicContact CD1-CG 3.87Å; F94-Q105 HydrophobicContact CD2-CB 3.77Å; F94-Q105 HydrophobicContact CD2-CG 3.87Å; F94-Q105 HydrophobicContact CE1-CG 4.14Å; F94-Q105 HydrophobicContact CE2-CB 3.98Å; F94-Q105 HydrophobicContact CE2-CG 4.17Å; F94-Q105 HydrophobicContact CG-CB 4.14Å; F94-Q105 HydrophobicContact CG-CG 3.72Å; F94-Q105 HydrophobicContact CZ-CB 4.48Å; F94-Q105 HydrophobicContact CZ-CG 4.28Å; D98-Q105 PolarHBondContact O-NE2 3.19Å; T100-Q105 HydrophobicContact CG2-CG 4Å; T100-Q105 PolarHBondContact O-NE2 3Å; P101-Q105 PolarHBondContact O-N 2.78Å; F102-Q105 WeakPolarHBondContact O-CB 3.49Å; F102-Q105 PolarHBondContact O-N 3.36Å; F102-Q105 VanDerWaalsContact O-N 3.15Å; Q105-T109 WeakPolarHBondContact O-CB 3.31Å; Q105-T109 PolarHBondContact O-N 2.84Å; Q105-T109 PolarHBondContact O-OG1 3.38Å; Q105-A192 HydrophobicContact CB-CB 4.37Å
106A98.7Very high97.5Very high0 Ų053.4 Ų53.40%030%0.295CS..Hα-helixtrans-60.8-53.2177.100000111.6F102 A103 V104 T109 L110 F174 T178 A192F102-A106 WeakPolarHBondContact O-CB 3.18Å; F102-A106 PolarHBondContact O-N 3.3Å; A103-A106 PolarHBondContact O-N 2.76Å; V104-A106 VanDerWaalsContact C-N 3.33Å; V104-A106 PolarHBondContact O-N 3.24Å; A106-T109 PolarHBondContact O-N 2.89Å; A106-L110 WeakPolarHBondContact O-CB 3.48Å; A106-L110 VanDerWaalsContact O-CD1 3.28Å; A106-L110 WeakPolarHBondContact O-CD1 3.46Å; A106-L110 PolarHBondContact O-N 2.91Å; A106-F174 HydrophobicContact CB-CD1 4.42Å; A106-F174 HydrophobicContact CB-CE1 3.73Å; A106-F174 HydrophobicContact CB-CZ 4.22Å; A106-T178 HydrophobicContact CB-CG2 4.04Å; A106-A192 HydrophobicContact CB-CB 4.13Å
107E98.8Very high98Very high87 Ų8746.5 Ų46.541%0.40725%0.253SS..Hα-helixtrans-58.8-52.3-179.5-178.7165-128.100112.1A103 V104 T109 K111 V175 K179A103-E107 WeakPolarHBondContact O-CB 3.44Å; A103-E107 PolarHBondContact O-N 2.79Å; V104-E107 PolarHBondContact O-N 3.35Å; E107-T109 PolarHBondContact O-N 3.42Å; E107-K111 VanDerWaalsContact O-CB 3.25Å; E107-K111 WeakPolarHBondContact O-CB 3.31Å; E107-K111 PolarHBondContact O-N 3.4Å; E107-V175 HydrophobicContact CB-CG1 3.86Å; E107-V175 HydrophobicContact CG-CG1 4.32Å; E107-K179 WeakPolarHBondContact OE1-CE 3.45Å; E107-K179 IonicContact OE1-NZ 3.15Å; E107-K179 PolarHBondContact OE1-NZ 2.83Å
108V98.8Very high98.4Very high55 Ų5542 Ų4233%0.33323%0.225SC..Hα-helixtrans-64.5-44-178.4171.80000111.1I92 F94 V104 T112I92-V108 HydrophobicContact CD1-CG1 3.67Å; F94-V108 HydrophobicContact CE2-CB 3.96Å; F94-V108 HydrophobicContact CE2-CG1 3.93Å; F94-V108 HydrophobicContact CZ-CB 4.05Å; F94-V108 HydrophobicContact CZ-CG1 3.98Å; V104-V108 HydrophobicContact CG1-CG2 4.17Å; V104-V108 WeakPolarHBondContact O-CB 3.27Å; V104-V108 VanDerWaalsContact O-CG2 3.31Å; V104-V108 WeakPolarHBondContact O-CG2 3.25Å; V104-V108 PolarHBondContact O-N 3.49Å; V108-T112 PolarHBondContact O-N 2.92Å
109T98.8Very high98.6Very high2 Ų241.4 Ų41.41%0.01222%0.222CC..Hα-helixtrans-68.9-42.2-177.6-54.70000111.9F94 Q105 A106 E107 N113 Y193F94-T109 WeakPolarHBondContact CD2-OG1 3.49Å; Q105-T109 WeakPolarHBondContact O-CB 3.31Å; Q105-T109 PolarHBondContact O-N 2.84Å; Q105-T109 PolarHBondContact O-OG1 3.38Å; A106-T109 PolarHBondContact O-N 2.89Å; E107-T109 PolarHBondContact O-N 3.42Å; T109-N113 VanDerWaalsContact CG2-ND2 3.34Å; T109-N113 WeakPolarHBondContact CG2-ND2 3.41Å; T109-N113 WeakPolarHBondContact O-CB 3.11Å; T109-N113 PolarHBondContact O-N 3.01Å; T109-Y193 HydrophobicContact CG2-CD2 4.4Å
110L98.8Very high98.7Very high0 Ų034.8 Ų34.80%018%0.181CC..Hα-helixtrans-71.6-34.7178.7-89.774.4000112.1A106 T112 F114 F115 M171 F174 V175A106-L110 WeakPolarHBondContact O-CB 3.48Å; A106-L110 VanDerWaalsContact O-CD1 3.28Å; A106-L110 WeakPolarHBondContact O-CD1 3.46Å; A106-L110 PolarHBondContact O-N 2.91Å; L110-T112 VanDerWaalsContact C-N 3.35Å; L110-T112 PolarHBondContact O-N 3.19Å; L110-F114 WeakPolarHBondContact O-CB 3.38Å; L110-F114 PolarHBondContact O-N 3.44Å; L110-F115 HydrophobicContact CB-CE2 4.46Å; L110-F115 WeakPolarHBondContact O-CD2 3.18Å; L110-F115 PolarHBondContact O-N 3.45Å; L110-M171 HydrophobicContact CD2-CB 4.07Å; L110-M171 WeakPolarHBondContact CD2-O 3.35Å; L110-M171 HydrophobicContact CD2-SD 4.24Å; L110-F174 HydrophobicContact CD1-CD1 3.87Å; L110-F174 HydrophobicContact CD1-CE1 3.76Å; L110-F174 HydrophobicContact CD2-CD1 3.73Å; L110-F174 HydrophobicContact CD2-CE1 4.47Å; L110-F174 HydrophobicContact CG-CD1 4.49Å; L110-V175 HydrophobicContact CB-CG2 4.17Å; L110-V175 HydrophobicContact CD2-CG2 3.74Å; L110-V175 HydrophobicContact CG-CG2 4.44Å
111K98.9Very high98.8Very high116 Ų11632.9 Ų32.950%0.50417%0.169SC..Iπ-helixtrans-51-55.4173.5-177.6-177.8176.7-176.20110.5E107 F115 G116E107-K111 VanDerWaalsContact O-CB 3.25Å; E107-K111 WeakPolarHBondContact O-CB 3.31Å; E107-K111 PolarHBondContact O-N 3.4Å; K111-F115 CarbonylContact O-C 3.28Å; K111-F115 WeakPolarHBondContact O-CB 3.35Å; K111-F115 PolarHBondContact O-N 3.07Å; K111-G116 PolarHBondContact O-N 3.48Å
112T98.8Very high98.8Very high12 Ų1232 Ų327%0.07416%0.162CC..Iπ-helixtrans-75.2-56.5-179.3-510000112.7I63 D64 I92 V108 L110 F114 G116 T117I63-T112 HydrophobicContact CD1-CG2 3.85Å; I63-T112 VanDerWaalsContact CD1-O 3.28Å; I63-T112 WeakPolarHBondContact CD1-O 3.38Å; I63-T112 HydrophobicContact CG1-CG2 4.14Å; D64-T112 WeakPolarHBondContact OD1-CA 3.18Å; D64-T112 PolarHBondContact OD1-N 2.88Å; D64-T112 PolarHBondContact OD2-OG1 2.99Å; I92-T112 HydrophobicContact CG1-CG2 4.25Å; I92-T112 HydrophobicContact CG2-CG2 4.33Å; V108-T112 PolarHBondContact O-N 2.92Å; L110-T112 VanDerWaalsContact C-N 3.35Å; L110-T112 PolarHBondContact O-N 3.19Å; T112-F114 PolarHBondContact O-N 2.96Å; T112-G116 PolarHBondContact O-N 3.49Å; T112-T117 PolarHBondContact O-N 3.36Å
113N98.9Very high98.8Very high0 Ų031.1 Ų31.10%016%0.159CC..Iπ-helixtrans-70.4-37.7-166.6-68.6-2.7000112.6G91 I92 T109 T117 S196 V200G91-N113 WeakPolarHBondContact CA-OD1 3.3Å; I92-N113 PolarHBondContact N-OD1 2.86Å; I92-N113 PolarHBondContact O-ND2 3.49Å; I92-N113 PolarHBondContact O-OD1 3.38Å; T109-N113 VanDerWaalsContact CG2-ND2 3.34Å; T109-N113 WeakPolarHBondContact CG2-ND2 3.41Å; T109-N113 WeakPolarHBondContact O-CB 3.11Å; T109-N113 PolarHBondContact O-N 3.01Å; N113-T117 VanDerWaalsContact O-CB 3.31Å; N113-T117 WeakPolarHBondContact O-CB 3.25Å; N113-T117 PolarHBondContact O-OG1 3.36Å; N113-S196 WeakPolarHBondContact CB-OG 3.28Å; N113-S196 PolarHBondContact ND2-OG 3.35Å; N113-V200 WeakPolarHBondContact O-CG2 3.49Å
114F98.9Very high98.8Very high0 Ų030 Ų300%015%0.15CC..Iπ-helixtrans-100.7-61.3-177.9176.1-106.2000111.7L110 T112 T117 R118 L167 V168 M171 L203L110-F114 WeakPolarHBondContact O-CB 3.38Å; L110-F114 PolarHBondContact O-N 3.44Å; T112-F114 PolarHBondContact O-N 2.96Å; F114-T117 PolarHBondContact O-N 3.45Å; F114-R118 VanDerWaalsContact O-CB 3.26Å; F114-R118 WeakPolarHBondContact O-CB 3.43Å; F114-R118 PolarHBondContact O-N 3.45Å; F114-L167 HydrophobicContact CE2-CD2 3.81Å; F114-L167 HydrophobicContact CE2-CG 4Å; F114-L167 HydrophobicContact CZ-CD2 4.13Å; F114-L167 HydrophobicContact CZ-CG 3.92Å; F114-V168 HydrophobicContact CE1-CG2 4.11Å; F114-V168 HydrophobicContact CZ-CG2 4.1Å; F114-M171 HydrophobicContact CD1-CB 3.69Å; F114-M171 HydrophobicContact CD1-CG 3.63Å; F114-M171 HydrophobicContact CD2-CG 4.11Å; F114-M171 HydrophobicContact CE1-CB 3.59Å; F114-M171 HydrophobicContact CE1-CG 3.48Å; F114-M171 VanDerWaalsContact CE1-CG 3.48Å; F114-M171 HydrophobicContact CE2-CG 3.95Å; F114-M171 HydrophobicContact CG-CB 4.43Å; F114-M171 HydrophobicContact CG-CG 3.94Å; F114-M171 HydrophobicContact CZ-CB 4.24Å; F114-M171 HydrophobicContact CZ-CG 3.64Å; F114-L203 HydrophobicContact CE2-CB 4.31Å; F114-L203 HydrophobicContact CE2-CD2 4.41Å
115F98.9Very high98.8Very high51 Ų5128.5 Ų28.522%0.22414%0.14CC..Iπ-helixtrans-68.3-40.7-173.7-68.5-74.7000112.4L110 K111 R118 N119 V168 M171L110-F115 HydrophobicContact CB-CE2 4.46Å; L110-F115 WeakPolarHBondContact O-CD2 3.18Å; L110-F115 PolarHBondContact O-N 3.45Å; K111-F115 CarbonylContact O-C 3.28Å; K111-F115 WeakPolarHBondContact O-CB 3.35Å; K111-F115 PolarHBondContact O-N 3.07Å; F115-R118 WeakPolarHBondContact O-CB 3.46Å; F115-R118 PolarHBondContact O-N 2.8Å; F115-N119 WeakPolarHBondContact O-CB 3.31Å; F115-N119 PolarHBondContact O-N 3.43Å; F115-N119 PolarHBondContact O-ND2 3.4Å; F115-N119 PolarHBondContact O-OD1 2.87Å; F115-V168 HydrophobicContact CE1-CG1 4.13Å; F115-M171 HydrophobicContact CZ-CB 4.35Å
116G98.9Very high98.8Very high0 Ų031.4 Ų31.40%016%0.161CC..Iπ-helixtrans-62.6-48.8174.900000112.2I63 K111 T112 R118 N119 V120I63-G116 WeakPolarHBondContact O-CA 3.42Å; K111-G116 PolarHBondContact O-N 3.48Å; T112-G116 PolarHBondContact O-N 3.49Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.44Å; G116-N119 PolarHBondContact O-N 3.4Å; G116-V120 WeakPolarHBondContact O-CG2 3.37Å; G116-V120 PolarHBondContact O-N 2.73Å
117T98.9Very high98.8Very high5 Ų532.3 Ų32.33%0.03117%0.166CC..Hα-helixtrans-57.1-43.6173.5-58.90000111.9N88 T112 N113 F114 V120 C121N88-T117 HydrophobicContact CB-CG2 4.02Å; T112-T117 PolarHBondContact O-N 3.36Å; N113-T117 VanDerWaalsContact O-CB 3.31Å; N113-T117 WeakPolarHBondContact O-CB 3.25Å; N113-T117 PolarHBondContact O-OG1 3.36Å; F114-T117 PolarHBondContact O-N 3.45Å; T117-V120 PolarHBondContact O-N 3.31Å; T117-C121 PolarHBondContact O-N 3.2Å
118R98.9Very high98.8Very high66 Ų6628.3 Ų28.325%0.24915%0.148CC..Hα-helixtrans-59.7-48.3176.6178.3-173.7171.3-93.4-8.5111.1F114 F115 G116 V120 C121 T122 E164 L203F114-R118 VanDerWaalsContact O-CB 3.26Å; F114-R118 WeakPolarHBondContact O-CB 3.43Å; F114-R118 PolarHBondContact O-N 3.45Å; F115-R118 WeakPolarHBondContact O-CB 3.46Å; F115-R118 PolarHBondContact O-N 2.8Å; G116-R118 VanDerWaalsContact C-N 3.3Å; G116-R118 PolarHBondContact O-N 3.44Å; R118-V120 VanDerWaalsContact C-N 3.32Å; R118-V120 PolarHBondContact O-N 2.8Å; R118-C121 CarbonylContact O-C 3.58Å; R118-C121 WeakPolarHBondContact O-CB 3.38Å; R118-C121 PolarHBondContact O-N 2.99Å; R118-C121 VanDerWaalsContact O-N 3.1Å; R118-T122 PolarHBondContact O-N 3.36Å; R118-T122 PolarHBondContact O-OG1 2.82Å; R118-T122 VanDerWaalsContact O-OG1 3.04Å; R118-E164 IonicContact CZ-OE1 2.63Å; R118-E164 IonicContact NE-OE1 2.73Å; R118-E164 PolarHBondContact NE-OE1 3.36Å; R118-E164 IonicContact NH2-OE1 3.56Å; R118-E164 PolarHBondContact NH2-OE1 2.82Å; R118-L203 HydrophobicContact CB-CD2 3.93Å; R118-L203 HydrophobicContact CG-CD2 4.41Å
119N98.9Very high98.8Very high45 Ų4528 Ų2824%0.24114%0.142CC..Hα-helixtrans-61.6-41179.9-67.5-16.1000111.7I69 F115 G116 C121 T122 E123I69-N119 HydrophobicContact CD1-CB 3.64Å; F115-N119 WeakPolarHBondContact O-CB 3.31Å; F115-N119 PolarHBondContact O-N 3.43Å; F115-N119 PolarHBondContact O-ND2 3.4Å; F115-N119 PolarHBondContact O-OD1 2.87Å; G116-N119 PolarHBondContact O-N 3.4Å; N119-C121 VanDerWaalsContact C-N 3.35Å; N119-C121 PolarHBondContact O-N 2.82Å; N119-T122 PolarHBondContact O-N 2.83Å; N119-E123 WeakPolarHBondContact O-CG 3.39Å; N119-E123 PolarHBondContact O-N 2.84Å; N119-E123 VanDerWaalsContact O-N 3.09Å
120V98.9Very high98.7Very high0 Ų030.9 Ų30.90%016%0.161CC..Hα-helixtrans-59.3-46.8172.5175.60000110.7T10 I63 I69 L86 N88 G116 T117 R118 T122 E123 L124T10-V120 HydrophobicContact CG2-CG1 4.47Å; I63-V120 HydrophobicContact CB-CG2 3.82Å; I63-V120 HydrophobicContact CG2-CG2 3.53Å; I69-V120 HydrophobicContact CD1-CG2 3.92Å; I69-V120 HydrophobicContact CG1-CG2 4.04Å; L86-V120 HydrophobicContact CD1-CG1 4.46Å; L86-V120 HydrophobicContact CD2-CG1 4.43Å; N88-V120 VanDerWaalsContact OD1-CG1 3.24Å; N88-V120 WeakPolarHBondContact OD1-CG1 3.36Å; G116-V120 WeakPolarHBondContact O-CG2 3.37Å; G116-V120 PolarHBondContact O-N 2.73Å; T117-V120 PolarHBondContact O-N 3.31Å; R118-V120 VanDerWaalsContact C-N 3.32Å; R118-V120 PolarHBondContact O-N 2.8Å; V120-T122 PolarHBondContact O-N 3.04Å; V120-E123 PolarHBondContact O-N 3.1Å; V120-L124 HydrophobicContact CG1-CD1 3.73Å; V120-L124 HydrophobicContact CG1-CG 4.19Å; V120-L124 VanDerWaalsContact O-CB 3.29Å; V120-L124 WeakPolarHBondContact O-CB 3.36Å; V120-L124 WeakPolarHBondContact O-CG 3.42Å; V120-L124 PolarHBondContact O-N 2.9Å
121C98.9Very high98.7Very high1 Ų136.9 Ų36.91%0.00718%0.184CC..Hα-helixtrans-62.4-42.6176.6-74.70000112.4N88 T117 R118 N119 E123 L125 Q207N88-C121 PolarHBondContact ND2-SG 3.43Å; N88-C121 VanDerWaalsContact ND2-SG 3.36Å; T117-C121 PolarHBondContact O-N 3.2Å; R118-C121 CarbonylContact O-C 3.58Å; R118-C121 WeakPolarHBondContact O-CB 3.38Å; R118-C121 PolarHBondContact O-N 2.99Å; R118-C121 VanDerWaalsContact O-N 3.1Å; N119-C121 VanDerWaalsContact C-N 3.35Å; N119-C121 PolarHBondContact O-N 2.82Å; C121-E123 VanDerWaalsContact C-N 3.28Å; C121-E123 PolarHBondContact O-N 3.06Å; C121-L125 HydrophobicContact CB-CD1 3.72Å; C121-L125 HydrophobicContact CB-CG 3.91Å; C121-L125 WeakPolarHBondContact O-CB 3.2Å; C121-L125 WeakPolarHBondContact O-CG 3.35Å; C121-L125 PolarHBondContact O-N 3.1Å; C121-Q207 PolarHBondContact SG-OE1 2.96Å; C121-Q207 VanDerWaalsContact SG-OE1 3.36Å
122T98.8Very high98.7Very high67 Ų6731.4 Ų31.441%0.41116%0.16SC..Hα-helixtrans-57.1-43.2178.5-60.70000111.4R118 N119 V120 P126R118-T122 PolarHBondContact O-N 3.36Å; R118-T122 PolarHBondContact O-OG1 2.82Å; R118-T122 VanDerWaalsContact O-OG1 3.04Å; N119-T122 PolarHBondContact O-N 2.83Å; V120-T122 PolarHBondContact O-N 3.04Å; T122-P126 WeakPolarHBondContact O-CD 3.43Å
123E98.9Very high98.7Very high31 Ų3131.2 Ų31.215%0.14516%0.158CC..Hα-helixtrans-84.7-32.9-176.7-64.4-68.717200113.1L66 I69 K70 R73 N119 V120 C121L66-E123 HydrophobicContact CD1-CG 4.23Å; I69-E123 HydrophobicContact CG2-CB 3.59Å; I69-E123 HydrophobicContact CG2-CG 3.72Å; K70-E123 WeakPolarHBondContact CE-OE1 3.35Å; K70-E123 HydrophobicContact CG-CG 4.49Å; R73-E123 WeakPolarHBondContact CD-OE2 3.48Å; R73-E123 IonicContact CZ-OE2 2.85Å; R73-E123 IonicContact NE-OE2 2.67Å; R73-E123 IonicContact NH1-OE2 2.73Å; R73-E123 PolarHBondContact NH1-OE2 2.82Å; N119-E123 WeakPolarHBondContact O-CG 3.39Å; N119-E123 PolarHBondContact O-N 2.84Å; N119-E123 VanDerWaalsContact O-N 3.09Å; V120-E123 PolarHBondContact O-N 3.1Å; C121-E123 VanDerWaalsContact C-N 3.28Å; C121-E123 PolarHBondContact O-N 3.06Å
124L98.8Very high98.7Very high0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-104.2-24.8-171.8-57-170.2000115.1L72 R73 L76 L83 L86 V120 P126 L127 V128L72-L124 HydrophobicContact CD2-CD1 4.1Å; R73-L124 HydrophobicContact CB-CD2 3.66Å; R73-L124 HydrophobicContact CG-CD2 4.18Å; L76-L124 HydrophobicContact CD1-CD2 4.24Å; L83-L124 WeakPolarHBondContact CD2-O 3.34Å; L86-L124 HydrophobicContact CD1-CD1 4.07Å; L86-L124 HydrophobicContact CD2-CB 4.06Å; V120-L124 HydrophobicContact CG1-CD1 3.73Å; V120-L124 HydrophobicContact CG1-CG 4.19Å; V120-L124 VanDerWaalsContact O-CB 3.29Å; V120-L124 WeakPolarHBondContact O-CB 3.36Å; V120-L124 WeakPolarHBondContact O-CG 3.42Å; V120-L124 PolarHBondContact O-N 2.9Å; L124-P126 VanDerWaalsContact C-CD 3.44Å; L124-P126 VanDerWaalsContact C-N 3.34Å; L124-L127 WeakPolarHBondContact O-CB 3.47Å; L124-L127 PolarHBondContact O-N 3Å; L124-V128 PolarHBondContact O-N 2.86Å
125L98.5Very high98.7Very high29 Ų2931.2 Ų31.215%0.15216%0.159CC..G310 helixtrans-59.1-37.8176.3-72-179.8000113.7C121 L127 V128 V134 Q207 R215 L222C121-L125 HydrophobicContact CB-CD1 3.72Å; C121-L125 HydrophobicContact CB-CG 3.91Å; C121-L125 WeakPolarHBondContact O-CB 3.2Å; C121-L125 WeakPolarHBondContact O-CG 3.35Å; C121-L125 PolarHBondContact O-N 3.1Å; L125-L127 PolarHBondContact O-N 3.17Å; L125-V128 HydrophobicContact CD2-CG2 4.29Å; L125-V128 PolarHBondContact O-N 3.13Å; L125-V128 VanDerWaalsContact O-N 3.14Å; L125-V134 HydrophobicContact CD2-CB 4.39Å; L125-V134 HydrophobicContact CD2-CG1 4Å; L125-V134 HydrophobicContact CD2-CG2 3.75Å; L125-Q207 HydrophobicContact CD1-CB 4.14Å; L125-Q207 HydrophobicContact CD1-CG 3.93Å; L125-R215 PolarHBondContact O-NH1 2.73Å; L125-L222 HydrophobicContact CD1-CD1 4.37Å; L125-L222 HydrophobicContact CD2-CD1 3.97Å
126P98.6Very high98.7Very high92 Ų9228.8 Ų28.860%0.59715%0.148SC*.G310 helixtrans-59.8-26.7175-25.636.4000113.6T122 L124T122-P126 WeakPolarHBondContact O-CD 3.43Å; L124-P126 VanDerWaalsContact C-CD 3.44Å; L124-P126 VanDerWaalsContact C-N 3.34Å
127L98.4Very high98.7Very high19 Ų1929.2 Ų29.210%0.09915%0.151CC..G310 helixtrans-83.7-12.6-179.6-83.866.9000113R73 L76 Q77 G82 L83 L124 L125 K129R73-L127 HydrophobicContact CG-CD1 3.9Å; R73-L127 HydrophobicContact CG-CD2 3.83Å; R73-L127 WeakPolarHBondContact O-CD2 3.44Å; L76-L127 HydrophobicContact CB-CD2 4.07Å; Q77-L127 HydrophobicContact CB-CD2 4.13Å; G82-L127 CarbonylContact C-O 3.22Å; G82-L127 WeakPolarHBondContact CA-O 3.1Å; L83-L127 HydrophobicContact CD2-CB 3.48Å; L83-L127 VanDerWaalsContact CD2-CB 3.48Å; L83-L127 PolarHBondContact N-O 3.24Å; L124-L127 WeakPolarHBondContact O-CB 3.47Å; L124-L127 PolarHBondContact O-N 3Å; L125-L127 PolarHBondContact O-N 3.17Å; L127-K129 PolarHBondContact O-N 2.74Å
128V98.6Very high98.7Very high4 Ų429.1 Ų29.12%0.02415%0.15CC..EExtended strand (participates in β ladder)trans-64.5122.8-177.1178.30000108.9L83 L124 L125 V134 R215 I220L83-V128 HydrophobicContact CD2-CG2 3.86Å; L83-V128 HydrophobicContact CG-CG2 4.25Å; L83-V128 CarbonylContact O-C 3.56Å; L83-V128 WeakPolarHBondContact O-CA 3.45Å; L124-V128 PolarHBondContact O-N 2.86Å; L125-V128 HydrophobicContact CD2-CG2 4.29Å; L125-V128 PolarHBondContact O-N 3.13Å; L125-V128 VanDerWaalsContact O-N 3.14Å; V128-V134 HydrophobicContact CG1-CG2 4.32Å; V128-V134 HydrophobicContact CG2-CG2 3.91Å; V128-R215 PolarHBondContact O-NH1 3.35Å; V128-R215 PolarHBondContact O-NH2 2.76Å; V128-I220 HydrophobicContact CB-CD1 4.31Å; V128-I220 HydrophobicContact CG1-CD1 3.89Å; V128-I220 HydrophobicContact CG1-CG1 4.12Å; V128-I220 HydrophobicContact CG1-CG2 3.99Å
129K98.2Very high98.6Very high49 Ų4926.6 Ų26.621%0.21314%0.142CC..EExtended strand (participates in β ladder)trans-75.5163.3-178.8-66.7-178179.8179.70111.4Y80 L83 L127 G132 I220Y80-K129 VanDerWaalsContact O-CE 3.29Å; Y80-K129 WeakPolarHBondContact O-CE 3.26Å; Y80-K129 PolarHBondContact O-NZ 2.96Å; L83-K129 PolarHBondContact O-N 2.96Å; L127-K129 PolarHBondContact O-N 2.74Å; K129-G132 WeakPolarHBondContact O-CA 3.36Å; K129-G132 PolarHBondContact O-N 2.76Å; K129-I220 WeakPolarHBondContact O-CG1 3.13Å
130P97.7Very high98.6Very high62 Ų6227.9 Ų27.940%0.40315%0.148SC..EExtended strand (participates in β ladder)trans-50.2147167.9-27.235.7000112.4G132 D218P130-G132 PolarHBondContact O-N 2.96Å; P130-D218 CarbonylContact C-O 3.55Å; P130-D218 WeakPolarHBondContact CA-O 3.41Å; P130-D218 HydrophobicContact CB-CB 4.25Å; P130-D218 HydrophobicContact CG-CB 4.31Å
131Y97.9Very high98.5Very high125 Ų12530.4 Ų30.449%0.4916%0.163SC..EExtended strand (participates in β ladder)trans6015.5-171.3-48.1-81.4000113.9R133 D218 H219 A258Y131-R133 WeakPolarHBondContact O-CD 3.43Å; Y131-R133 PolarHBondContact O-NH1 3.36Å; Y131-D218 PolarHBondContact N-O 3.46Å; Y131-H219 HydrophobicContact CD1-CB 3.58Å; Y131-H219 HydrophobicContact CE1-CB 3.7Å; Y131-H219 AromaticContact CE1-CD2 3.65Å; Y131-H219 AromaticContact CE1-CG 3.74Å; Y131-H219 HydrophobicContact CG-CB 4.42Å; Y131-A258 HydrophobicContact CD1-CB 4.07Å; Y131-A258 WeakPolarHBondContact CD1-O 3.43Å; Y131-A258 HydrophobicContact CG-CB 4.42Å
132G98.4Very high98.5Very high1 Ų130.4 Ų30.41%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-69.3155.9177.800000113.3N84 K129 P130 I220 L221N84-G132 CarbonylContact O-C 3.59Å; N84-G132 WeakPolarHBondContact O-CA 3.48Å; K129-G132 WeakPolarHBondContact O-CA 3.36Å; K129-G132 PolarHBondContact O-N 2.76Å; P130-G132 PolarHBondContact O-N 2.96Å; G132-I220 WeakPolarHBondContact O-CA 3.21Å; G132-L221 PolarHBondContact O-N 3.47Å
133R98.9Very high98.4Very high8 Ų828.5 Ų28.53%0.0315%0.153CC..EExtended strand (participates in β ladder)trans-124.3132.7176.6-8277.3-172.8107.9-2110.3N84 V85 L86 Y131 H219 L221 L253 A254 L256 P257N84-R133 PolarHBondContact O-N 2.84Å; V85-R133 VanDerWaalsContact CA-O 3.3Å; V85-R133 WeakPolarHBondContact CA-O 3.42Å; V85-R133 HydrophobicContact CG2-CB 4.48Å; L86-R133 PolarHBondContact N-O 2.85Å; Y131-R133 WeakPolarHBondContact O-CD 3.43Å; Y131-R133 PolarHBondContact O-NH1 3.36Å; R133-H219 PolarHBondContact NH1-O 2.67Å; R133-L221 CarbonylContact C-O 3.59Å; R133-L221 WeakPolarHBondContact CA-O 3.5Å; R133-L221 HydrophobicContact CG-CB 4.39Å; R133-L253 WeakPolarHBondContact CG-O 3.33Å; R133-A254 WeakPolarHBondContact CB-O 3.25Å; R133-L256 HydrophobicContact CG-CB 4.26Å; R133-L256 PolarHBondContact NE-O 3.05Å; R133-P257 PolarHBondContact NH2-O 3.11Å
134V98.9Very high98.3Very high1 Ų131 Ų311%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-122128.1177.3-177.30000109.5L86 L125 V128 L221 L222 N223L86-V134 HydrophobicContact CB-CG1 4.31Å; L86-V134 HydrophobicContact CB-CG2 4.33Å; L86-V134 HydrophobicContact CD2-CG1 4.35Å; L86-V134 HydrophobicContact CG-CG1 4.5Å; L86-V134 CarbonylContact O-C 3.42Å; L86-V134 WeakPolarHBondContact O-CA 3.07Å; L125-V134 HydrophobicContact CD2-CB 4.39Å; L125-V134 HydrophobicContact CD2-CG1 4Å; L125-V134 HydrophobicContact CD2-CG2 3.75Å; V128-V134 HydrophobicContact CG1-CG2 4.32Å; V128-V134 HydrophobicContact CG2-CG2 3.91Å; V134-L221 PolarHBondContact N-O 2.78Å; V134-L222 HydrophobicContact CB-CB 4.06Å; V134-L222 HydrophobicContact CB-CD1 3.81Å; V134-L222 HydrophobicContact CB-CG 3.72Å; V134-L222 HydrophobicContact CG1-CD1 3.71Å; V134-L222 HydrophobicContact CG1-CG 3.85Å; V134-L222 HydrophobicContact CG2-CD1 4.37Å; V134-L222 VanDerWaalsContact O-CA 3.3Å; V134-L222 WeakPolarHBondContact O-CA 3.45Å; V134-N223 PolarHBondContact O-N 3.48Å
135V98.9Very high98.3Very high0 Ų031.2 Ų31.20%018%0.175CC..EExtended strand (participates in β ladder)trans-124.9116.2-176.2-173.20000109.3L86 V87 N88 P250 L253 A254L86-V135 PolarHBondContact O-N 3.38Å; V87-V135 CarbonylContact C-O 3.54Å; V87-V135 WeakPolarHBondContact CA-O 3.49Å; V87-V135 HydrophobicContact CG1-CB 4.25Å; V87-V135 HydrophobicContact CG1-CG1 4.48Å; V87-V135 HydrophobicContact CG2-CB 4.26Å; V87-V135 HydrophobicContact CG2-CG2 4.44Å; N88-V135 PolarHBondContact N-O 2.88Å; V135-P250 HydrophobicContact CG1-CB 4.28Å; V135-L253 HydrophobicContact CG1-CB 4.21Å; V135-L253 HydrophobicContact CG1-CD1 4.15Å; V135-L253 HydrophobicContact CG2-CB 3.62Å; V135-A254 HydrophobicContact CG2-CB 4.09Å
136N98.9Very high98.3Very high0 Ų029.9 Ų29.90%017%0.168CC..EExtended strand (participates in β ladder)trans-100.2114.1173.6-68.7-21.9000109.3N88 S138 V200 S204 N223 A224 C225N88-N136 WeakPolarHBondContact CB-OD1 3.24Å; N88-N136 PolarHBondContact ND2-OD1 2.82Å; N136-S138 PolarHBondContact O-N 2.82Å; N136-V200 HydrophobicContact CB-CG1 3.95Å; N136-S204 WeakPolarHBondContact CB-OG 3.48Å; N136-S204 PolarHBondContact ND2-OG 3.26Å; N136-N223 PolarHBondContact N-O 3.05Å; N136-A224 CarbonylContact O-C 3.5Å; N136-A224 VanDerWaalsContact O-CA 3.27Å; N136-A224 WeakPolarHBondContact O-CA 3.47Å; N136-C225 PolarHBondContact O-N 2.97Å
137V98.9Very high98.3Very high9 Ų928.7 Ų28.76%0.05517%0.166CC..EExtended strand (participates in β ladder)trans-78.797.1178.8-173.40000109.2V87 N88 N89 K197 P227 P250V87-V137 HydrophobicContact CG1-CG2 4.22Å; N88-V137 PolarHBondContact O-N 3.38Å; N89-V137 HydrophobicContact CB-CG2 3.91Å; V137-K197 PolarHBondContact O-NZ 3.37Å; V137-P227 HydrophobicContact CG1-CG 4.05Å; V137-P250 HydrophobicContact CG2-CG 4.37Å
138S98.8Very high98.2Very high2 Ų230.1 Ų30.11%0.01419%0.185CC..  trans-88.5-143.9172.9-169.90000110.4N136 K197 T201 C225N136-S138 PolarHBondContact O-N 2.82Å; S138-K197 PolarHBondContact OG-O 3.08Å; S138-T201 WeakPolarHBondContact CB-OG1 3.49Å; S138-T201 PolarHBondContact OG-OG1 2.95Å; S138-C225 CarbonylContact C-O 3.53Å; S138-C225 VanDerWaalsContact C-O 3.28Å; S138-C225 VanDerWaalsContact CA-O 3.3Å; S138-C225 WeakPolarHBondContact CA-O 3.44Å; S138-C225 PolarHBondContact N-O 3.25Å
139S98.6Very high98.2Very high13 Ų1330.3 Ų30.39%0.09119%0.187CC..  trans-161.1148.2178.5177.50000110.4V141 S142S139-V141 PolarHBondContact O-N 3.25Å; S139-V141 VanDerWaalsContact O-N 3.11Å; S139-V141 WeakPolarHBondContact OG-CB 3.31Å; S139-V141 WeakPolarHBondContact OG-CG2 3.32Å; S139-V141 PolarHBondContact OG-N 2.74Å; S139-V141 VanDerWaalsContact OG-N 3.11Å; S139-S142 WeakPolarHBondContact O-CB 3.42Å; S139-S142 PolarHBondContact O-N 2.76Å; S139-S142 PolarHBondContact O-OG 3.24Å
140M97.6Very high98.3Very high73 Ų7329.5 Ų29.536%0.3619%0.187SC..THydrogen-bonded Turntrans-59.7-20.2169-78-62.6-57.800112.4S142 S143 S144 C226 F267 R274M140-S142 PolarHBondContact O-N 2.7Å; M140-S143 WeakPolarHBondContact O-CB 3.3Å; M140-S143 PolarHBondContact O-N 3.23Å; M140-S143 VanDerWaalsContact O-N 3.12Å; M140-S144 PolarHBondContact O-N 2.94Å; M140-C226 HydrophobicContact CB-CB 4.45Å; M140-C226 HydrophobicContact CG-CB 3.76Å; M140-C226 VanDerWaalsContact CG-SG 3.59Å; M140-C226 PolarHBondContact N-SG 3.09Å; M140-F267 HydrophobicContact SD-CE1 3.6Å; M140-F267 VanDerWaalsContact SD-CE1 3.6Å; M140-F267 HydrophobicContact SD-CZ 3.91Å; M140-R274 HydrophobicContact SD-CG 4.34Å
141V97.9Very high98.3Very high53 Ų5333.2 Ų33.232%0.32120%0.199SC..Hα-helixtrans-62.1-23.7172.8-176.40000111.6S139 S144 A145 Y193S139-V141 PolarHBondContact O-N 3.25Å; S139-V141 VanDerWaalsContact O-N 3.11Å; S139-V141 WeakPolarHBondContact OG-CB 3.31Å; S139-V141 WeakPolarHBondContact OG-CG2 3.32Å; S139-V141 PolarHBondContact OG-N 2.74Å; S139-V141 VanDerWaalsContact OG-N 3.11Å; V141-S144 PolarHBondContact O-N 2.63Å; V141-A145 WeakPolarHBondContact O-CB 3.41Å; V141-A145 PolarHBondContact O-N 2.88Å; V141-Y193 HydrophobicContact CB-CD1 4.3Å; V141-Y193 HydrophobicContact CB-CE1 4.12Å; V141-Y193 HydrophobicContact CG1-CD1 4.09Å; V141-Y193 HydrophobicContact CG1-CE1 4.42Å; V141-Y193 HydrophobicContact CG2-CE1 4.19Å
142S98Very high98.3Very high0 Ų032.8 Ų32.80%020%0.202CC..Hα-helixtrans-65.4-39.5173.468.50000112S139 M140 A145 L146 K197 I198 T201 W276S139-S142 WeakPolarHBondContact O-CB 3.42Å; S139-S142 PolarHBondContact O-N 2.76Å; S139-S142 PolarHBondContact O-OG 3.24Å; M140-S142 PolarHBondContact O-N 2.7Å; S142-A145 PolarHBondContact O-N 3.38Å; S142-L146 VanDerWaalsContact O-CB 3.25Å; S142-L146 WeakPolarHBondContact O-CB 3.17Å; S142-L146 PolarHBondContact O-N 3Å; S142-K197 VanDerWaalsContact CB-O 3.32Å; S142-K197 WeakPolarHBondContact CB-O 3.14Å; S142-I198 WeakPolarHBondContact O-CG1 3.45Å; S142-T201 PolarHBondContact OG-OG1 3.25Å; S142-W276 WeakPolarHBondContact OG-CZ3 3.45Å
143S97.1Very high98.3Very high28 Ų2833.1 Ų33.120%0.19620%0.203CC..Hα-helixtrans-66.5-42.5174.6-56.80000111.7M140 L146 A147M140-S143 WeakPolarHBondContact O-CB 3.3Å; M140-S143 PolarHBondContact O-N 3.23Å; M140-S143 VanDerWaalsContact O-N 3.12Å; S143-L146 PolarHBondContact O-N 2.94Å; S143-A147 PolarHBondContact O-N 3.36Å
144S96.9Very high98.3Very high83 Ų8334.6 Ų34.658%0.5821%0.21SC*.Hα-helixtrans-64.4-41.1175.4-56.60000112.2M140 V141 A147 G148M140-S144 PolarHBondContact O-N 2.94Å; V141-S144 PolarHBondContact O-N 2.63Å; S144-A147 PolarHBondContact O-N 3.34Å; S144-G148 PolarHBondContact O-N 2.98Å
145A98.3Very high98.3Very high4 Ų441 Ų413%0.03324%0.24CC..Hα-helixtrans-66.9-41.7176.500000111.3V141 S142 A147 G148 C149 P189 T191 I198V141-A145 WeakPolarHBondContact O-CB 3.41Å; V141-A145 PolarHBondContact O-N 2.88Å; S142-A145 PolarHBondContact O-N 3.38Å; A145-A147 VanDerWaalsContact C-N 3.3Å; A145-A147 PolarHBondContact O-N 3.38Å; A145-G148 CarbonylContact O-C 3.46Å; A145-G148 WeakPolarHBondContact O-CA 3.22Å; A145-G148 PolarHBondContact O-N 3.47Å; A145-C149 PolarHBondContact O-N 3.39Å; A145-C149 VanDerWaalsContact O-N 3.16Å; A145-C149 PolarHBondContact O-SG 2.89Å; A145-C149 VanDerWaalsContact O-SG 3.41Å; A145-P189 HydrophobicContact CB-CG 4.11Å; A145-P189 WeakPolarHBondContact O-CG 3.49Å; A145-T191 HydrophobicContact CB-CG2 3.81Å; A145-I198 HydrophobicContact CB-CD1 3.82Å; A145-I198 HydrophobicContact CB-CG1 4.19Å
146L98.4Very high98.3Very high1 Ų144.8 Ų44.81%0.00526%0.259CS..Hα-helixtrans-59.7-42.5176.1179.464.1000111.2S142 S143 G148 C149 Q154 F157 R158 I198 W276S142-L146 VanDerWaalsContact O-CB 3.25Å; S142-L146 WeakPolarHBondContact O-CB 3.17Å; S142-L146 PolarHBondContact O-N 3Å; S143-L146 PolarHBondContact O-N 2.94Å; L146-G148 PolarHBondContact O-N 2.97Å; L146-C149 WeakPolarHBondContact O-CB 3.2Å; L146-C149 PolarHBondContact O-N 3.15Å; L146-C149 VanDerWaalsContact O-N 3.11Å; L146-Q154 HydrophobicContact CD1-CB 4.49Å; L146-Q154 HydrophobicContact CD1-CG 4.08Å; L146-Q154 HydrophobicContact CG-CG 4.4Å; L146-Q154 WeakPolarHBondContact O-CG 3.29Å; L146-F157 HydrophobicContact CD1-CB 3.64Å; L146-F157 HydrophobicContact CD1-CD2 3.84Å; L146-F157 HydrophobicContact CD1-CG 4.18Å; L146-R158 HydrophobicContact CD2-CG 4.29Å; L146-I198 HydrophobicContact CB-CD1 4.17Å; L146-I198 HydrophobicContact CB-CG1 4.38Å; L146-W276 HydrophobicContact CB-CH2 4.25Å; L146-W276 HydrophobicContact CD2-CD2 4.02Å; L146-W276 HydrophobicContact CD2-CE3 4.22Å; L146-W276 HydrophobicContact CD2-CH2 3.92Å; L146-W276 HydrophobicContact CD2-CZ2 3.71Å; L146-W276 HydrophobicContact CD2-CZ3 4.18Å
147A97.8Very high98.3Very high67 Ų6744.8 Ų44.855%0.55426%0.259SS*.Hα-helixtrans-63.5-25.6175.600000113.1S143 S144 A145S143-A147 PolarHBondContact O-N 3.36Å; S144-A147 PolarHBondContact O-N 3.34Å; A145-A147 VanDerWaalsContact C-N 3.3Å; A145-A147 PolarHBondContact O-N 3.38Å
148G97.8Very high98.2Very high49 Ų4948.8 Ų48.851%0.50527%0.273SS..THydrogen-bonded Turntrans-87.1-4.5174.400000114.9S144 A145 L146S144-G148 PolarHBondContact O-N 2.98Å; A145-G148 CarbonylContact O-C 3.46Å; A145-G148 WeakPolarHBondContact O-CA 3.22Å; A145-G148 PolarHBondContact O-N 3.47Å; L146-G148 PolarHBondContact O-N 2.97Å
149C98.7Very high98.2Very high9 Ų950.3 Ų50.36%0.06128%0.284CS..SBendtrans-75.9160.7172.8-65.60000111.4A145 L146 L153 Q154 G187 P189A145-C149 PolarHBondContact O-N 3.39Å; A145-C149 VanDerWaalsContact O-N 3.16Å; A145-C149 PolarHBondContact O-SG 2.89Å; A145-C149 VanDerWaalsContact O-SG 3.41Å; L146-C149 WeakPolarHBondContact O-CB 3.2Å; L146-C149 PolarHBondContact O-N 3.15Å; L146-C149 VanDerWaalsContact O-N 3.11Å; C149-L153 HydrophobicContact CB-CB 3.79Å; C149-L153 HydrophobicContact CB-CD1 4.44Å; C149-Q154 HydrophobicContact CB-CG 3.99Å; C149-Q154 PolarHBondContact O-NE2 3.06Å; C149-G187 CarbonylContact C-O 3.55Å; C149-G187 VanDerWaalsContact CA-O 3.26Å; C149-G187 WeakPolarHBondContact CA-O 3.41Å; C149-P189 VanDerWaalsContact SG-CD 3.53Å
150S98.7Very high98.1Very high31 Ų3155.4 Ų55.422%0.21731%0.31CS..  trans-60163.5167.883.50000112.3E152 L153 Q154 G187S150-E152 VanDerWaalsContact C-N 3.25Å; S150-E152 WeakPolarHBondContact CB-OE2 3.34Å; S150-E152 PolarHBondContact O-N 3.41Å; S150-E152 PolarHBondContact OG-N 3.46Å; S150-E152 PolarHBondContact OG-OE2 2.65Å; S150-L153 PolarHBondContact O-N 3.45Å; S150-L153 PolarHBondContact OG-N 2.95Å; S150-Q154 WeakPolarHBondContact O-CB 3.45Å; S150-Q154 VanDerWaalsContact O-CG 3.29Å; S150-Q154 WeakPolarHBondContact O-CG 3.27Å; S150-Q154 PolarHBondContact O-N 3.06Å; S150-G187 PolarHBondContact N-O 3.02Å
151Q98.5Very high98.1Very high141 Ų14157.1 Ų57.166%0.65933%0.325SS*.Hα-helixtrans-60.9-36.7179.5-68.1-172.3-1.500112.1Q154 Q155Q151-Q154 WeakPolarHBondContact O-CB 3.09Å; Q151-Q154 PolarHBondContact O-N 2.74Å; Q151-Q155 VanDerWaalsContact O-CG 3.28Å; Q151-Q155 WeakPolarHBondContact O-CG 3.28Å; Q151-Q155 PolarHBondContact O-N 3.27Å
152E98.4Very high98.1Very high116 Ų11655 Ų5554%0.54231%0.312SS..Hα-helixtrans-65.6-48.9178.9-56.472.5-155.700110.8S150 Q154 Q155 M156S150-E152 VanDerWaalsContact C-N 3.25Å; S150-E152 WeakPolarHBondContact CB-OE2 3.34Å; S150-E152 PolarHBondContact O-N 3.41Å; S150-E152 PolarHBondContact OG-N 3.46Å; S150-E152 PolarHBondContact OG-OE2 2.65Å; E152-Q154 VanDerWaalsContact C-N 3.31Å; E152-Q154 PolarHBondContact O-N 2.95Å; E152-Q155 PolarHBondContact O-N 3.41Å; E152-M156 WeakPolarHBondContact O-CG 3.37Å; E152-M156 PolarHBondContact O-N 2.92Å
153L98.8Very high98.1Very high7 Ų757.8 Ų57.84%0.03733%0.329CS..Hα-helixtrans-61.9-40.8175.7-79.5166000111.4C149 S150 Q155 M156 F157 L170 G187 W188C149-L153 HydrophobicContact CB-CB 3.79Å; C149-L153 HydrophobicContact CB-CD1 4.44Å; S150-L153 PolarHBondContact O-N 3.45Å; S150-L153 PolarHBondContact OG-N 2.95Å; L153-Q155 PolarHBondContact O-N 3.49Å; L153-M156 HydrophobicContact CD2-CE 3.68Å; L153-M156 HydrophobicContact CG-CE 4.13Å; L153-M156 PolarHBondContact O-N 2.99Å; L153-F157 HydrophobicContact CB-CD2 4.41Å; L153-F157 HydrophobicContact CB-CE2 4.2Å; L153-F157 HydrophobicContact CD2-CE2 3.94Å; L153-F157 HydrophobicContact CD2-CZ 4.28Å; L153-F157 WeakPolarHBondContact O-CD2 3.26Å; L153-F157 WeakPolarHBondContact O-CG 3.43Å; L153-F157 PolarHBondContact O-N 2.88Å; L153-L170 HydrophobicContact CD2-CD2 4.11Å; L153-G187 VanDerWaalsContact CD1-C 3.47Å; L153-G187 VanDerWaalsContact CD1-O 3.23Å; L153-G187 WeakPolarHBondContact CD1-O 3.39Å; L153-W188 HydrophobicContact CD1-CD2 3.91Å; L153-W188 HydrophobicContact CD1-CE3 4.02Å; L153-W188 HydrophobicContact CD1-CG 4.33Å; L153-W188 HydrophobicContact CD1-CZ3 4.4Å; L153-W188 HydrophobicContact CD2-CE3 4.32Å; L153-W188 HydrophobicContact CD2-CH2 3.59Å; L153-W188 HydrophobicContact CD2-CZ2 3.82Å; L153-W188 HydrophobicContact CD2-CZ3 3.87Å
154Q98.8Very high98.2Very high39 Ų3958.2 Ų58.218%0.18233%0.328CS..Hα-helixtrans-59.7-44.9175-78.9-171.556.200112.4L146 C149 S150 Q151 E152 F157 R158L146-Q154 HydrophobicContact CD1-CB 4.49Å; L146-Q154 HydrophobicContact CD1-CG 4.08Å; L146-Q154 HydrophobicContact CG-CG 4.4Å; L146-Q154 WeakPolarHBondContact O-CG 3.29Å; C149-Q154 HydrophobicContact CB-CG 3.99Å; C149-Q154 PolarHBondContact O-NE2 3.06Å; S150-Q154 WeakPolarHBondContact O-CB 3.45Å; S150-Q154 VanDerWaalsContact O-CG 3.29Å; S150-Q154 WeakPolarHBondContact O-CG 3.27Å; S150-Q154 PolarHBondContact O-N 3.06Å; Q151-Q154 WeakPolarHBondContact O-CB 3.09Å; Q151-Q154 PolarHBondContact O-N 2.74Å; E152-Q154 VanDerWaalsContact C-N 3.31Å; E152-Q154 PolarHBondContact O-N 2.95Å; Q154-F157 PolarHBondContact O-N 2.95Å; Q154-R158 WeakPolarHBondContact O-CB 3.22Å; Q154-R158 WeakPolarHBondContact O-CG 3.45Å; Q154-R158 PolarHBondContact O-N 2.84Å
155Q98.4Very high98.3Very high136 Ų13660.3 Ų60.364%0.63633%0.328SS*.Hα-helixtrans-62.7-44.5176.3-73.8172.713.500111.4Q151 E152 L153 R158 S159Q151-Q155 VanDerWaalsContact O-CG 3.28Å; Q151-Q155 WeakPolarHBondContact O-CG 3.28Å; Q151-Q155 PolarHBondContact O-N 3.27Å; E152-Q155 PolarHBondContact O-N 3.41Å; L153-Q155 PolarHBondContact O-N 3.49Å; Q155-R158 PolarHBondContact O-N 3.04Å; Q155-S159 PolarHBondContact O-N 2.97Å
156M98.4Very high98.3Very high79 Ų7964.6 Ų64.639%0.38935%0.347SS..Hα-helixtrans-61.3-46.4177.5-70.5-171.9-69.100112E152 L153 R158 S159 L170E152-M156 WeakPolarHBondContact O-CG 3.37Å; E152-M156 PolarHBondContact O-N 2.92Å; L153-M156 HydrophobicContact CD2-CE 3.68Å; L153-M156 HydrophobicContact CG-CE 4.13Å; L153-M156 PolarHBondContact O-N 2.99Å; M156-R158 VanDerWaalsContact C-N 3.32Å; M156-R158 PolarHBondContact O-N 2.89Å; M156-S159 VanDerWaalsContact O-CB 3.29Å; M156-S159 WeakPolarHBondContact O-CB 3.49Å; M156-S159 PolarHBondContact O-N 2.85Å; M156-L170 HydrophobicContact CB-CD1 4.14Å; M156-L170 HydrophobicContact CE-CD2 3.77Å; M156-L170 HydrophobicContact SD-CD1 4.36Å; M156-L170 HydrophobicContact SD-CD2 4.08Å
157F98.7Very high98.3Very high0 Ų064.5 Ų64.50%035%0.347CS..Hα-helixtrans-73-19.5-179.8-68.4-48.5000114.6L146 L153 Q154 L167 L170 M171 W188 I198 V202 W276L146-F157 HydrophobicContact CD1-CB 3.64Å; L146-F157 HydrophobicContact CD1-CD2 3.84Å; L146-F157 HydrophobicContact CD1-CG 4.18Å; L153-F157 HydrophobicContact CB-CD2 4.41Å; L153-F157 HydrophobicContact CB-CE2 4.2Å; L153-F157 HydrophobicContact CD2-CE2 3.94Å; L153-F157 HydrophobicContact CD2-CZ 4.28Å; L153-F157 WeakPolarHBondContact O-CD2 3.26Å; L153-F157 WeakPolarHBondContact O-CG 3.43Å; L153-F157 PolarHBondContact O-N 2.88Å; Q154-F157 PolarHBondContact O-N 2.95Å; F157-L167 HydrophobicContact CD1-CD1 4.19Å; F157-L167 HydrophobicContact CE1-CD1 3.88Å; F157-L170 HydrophobicContact CD1-CD1 4.24Å; F157-L170 HydrophobicContact CE1-CB 4.16Å; F157-L170 HydrophobicContact CE1-CD1 3.67Å; F157-L170 HydrophobicContact CZ-CB 4.25Å; F157-L170 HydrophobicContact CZ-CD1 4.12Å; F157-M171 HydrophobicContact CE1-CE 3.57Å; F157-M171 HydrophobicContact CZ-CE 3.5Å; F157-W188 HydrophobicContact CE2-CH2 4.35Å; F157-W188 AromaticContact CE2-CZ3 3.81Å; F157-W188 HydrophobicContact CE2-CZ3 3.81Å; F157-W188 AromaticContact CZ-CH2 3.87Å; F157-W188 HydrophobicContact CZ-CH2 3.87Å; F157-W188 AromaticContact CZ-CZ3 3.64Å; F157-W188 HydrophobicContact CZ-CZ3 3.64Å; F157-I198 HydrophobicContact CB-CG2 4.25Å; F157-I198 HydrophobicContact CD1-CG2 3.7Å; F157-I198 HydrophobicContact CD2-CG2 3.81Å; F157-I198 HydrophobicContact CE1-CG2 3.94Å; F157-I198 HydrophobicContact CE2-CG2 4.04Å; F157-I198 HydrophobicContact CG-CG2 3.65Å; F157-I198 HydrophobicContact CZ-CG2 4.1Å; F157-V202 HydrophobicContact CB-CG2 4.09Å; F157-V202 HydrophobicContact CD1-CG2 4.02Å; F157-V202 HydrophobicContact CG-CG2 4.43Å; F157-V202 WeakPolarHBondContact O-CG2 3.34Å; F157-W276 PolarHBondContact O-NE1 2.99Å
158R98.4Very high98.4Very high93 Ų9362.8 Ų62.835%0.35133%0.33SS..Hα-helixtrans-91.6-12.6172.7-70.5-171.9-177107.94.5113.6L146 Q154 Q155 M156 N160 R205 W276L146-R158 HydrophobicContact CD2-CG 4.29Å; Q154-R158 WeakPolarHBondContact O-CB 3.22Å; Q154-R158 WeakPolarHBondContact O-CG 3.45Å; Q154-R158 PolarHBondContact O-N 2.84Å; Q155-R158 PolarHBondContact O-N 3.04Å; M156-R158 VanDerWaalsContact C-N 3.32Å; M156-R158 PolarHBondContact O-N 2.89Å; R158-N160 PolarHBondContact O-N 3.04Å; R158-R205 PolarHBondContact O-NH2 2.85Å; R158-W276 PolarHBondContact NE-O 3.32Å
159S98.1Very high98.4Very high35 Ų3566.1 Ų66.125%0.24533%0.33CS..  trans-51.3134.4179.9175.90000111.6Q155 M156 T161 I162Q155-S159 PolarHBondContact O-N 2.97Å; M156-S159 VanDerWaalsContact O-CB 3.29Å; M156-S159 WeakPolarHBondContact O-CB 3.49Å; M156-S159 PolarHBondContact O-N 2.85Å; S159-T161 VanDerWaalsContact C-N 3.25Å; S159-T161 PolarHBondContact OG-N 2.72Å; S159-T161 VanDerWaalsContact OG-N 3.09Å; S159-T161 PolarHBondContact OG-OG1 2.93Å; S159-T161 VanDerWaalsContact OG-OG1 3.07Å; S159-I162 WeakPolarHBondContact O-CG2 3.42Å; S159-I162 PolarHBondContact OG-N 2.75Å
160N96.1Very high98.4Very high119 Ų11966.6 Ų66.664%0.63633%0.332SS*.SBendtrans-83.8-3.8174.1-68.3-37.3000112.2R158 R205 R209R158-N160 PolarHBondContact O-N 3.04Å; N160-R205 PolarHBondContact OD1-NH2 3.45Å; N160-R209 PolarHBondContact O-NH1 3.3Å
161T97.6Very high98.5Very high110 Ų11065.1 Ų65.168%0.67532%0.322SS*.SBendtrans-117.8-6.1-178.256.40000113.8S159 T163S159-T161 VanDerWaalsContact C-N 3.25Å; S159-T161 PolarHBondContact OG-N 2.72Å; S159-T161 VanDerWaalsContact OG-N 3.09Å; S159-T161 PolarHBondContact OG-OG1 2.93Å; S159-T161 VanDerWaalsContact OG-OG1 3.07Å; T161-T163 PolarHBondContact O-N 2.71Å
162I98.5Very high98.5Very high8 Ų861.3 Ų61.34%0.04131%0.308CS..  trans-50.7132.4176.1-173.4170.1000110.7S159 E166 L167 L170 V202 I206 R209S159-I162 WeakPolarHBondContact O-CG2 3.42Å; S159-I162 PolarHBondContact OG-N 2.75Å; I162-E166 HydrophobicContact CG1-CB 3.95Å; I162-L167 HydrophobicContact CD1-CB 4.21Å; I162-L170 HydrophobicContact CD1-CD1 4.03Å; I162-V202 HydrophobicContact CD1-CG1 4.36Å; I162-V202 HydrophobicContact CG2-CG1 3.94Å; I162-I206 HydrophobicContact CG2-CD1 4.11Å; I162-I206 HydrophobicContact CG2-CG1 4.1Å; I162-I206 WeakPolarHBondContact O-CG1 3.46Å; I162-R209 PolarHBondContact O-NH1 3.01Å; I162-R209 PolarHBondContact O-NH2 3.28Å
163T98.6Very high98.5Very high59 Ų5959.4 Ų59.436%0.36230%0.298SS..  trans-90161178.363.50000111.1T161 E165 E166 L167T161-T163 PolarHBondContact O-N 2.71Å; T163-E165 PolarHBondContact O-N 3.46Å; T163-E166 WeakPolarHBondContact CB-OE2 3.12Å; T163-E166 PolarHBondContact N-OE2 3.06Å; T163-E166 PolarHBondContact O-N 3.28Å; T163-E166 WeakPolarHBondContact OG1-CB 3.34Å; T163-E166 VanDerWaalsContact OG1-CD 3.26Å; T163-E166 WeakPolarHBondContact OG1-CG 3.48Å; T163-E166 PolarHBondContact OG1-N 2.8Å; T163-E166 PolarHBondContact OG1-OE2 2.89Å; T163-L167 PolarHBondContact O-N 3.48Å
164E98.6Very high98.5Very high37 Ų3759.1 Ų59.117%0.17330%0.296CS..Hα-helixtrans-61.3-36.5174.8-168.4-178.4120.400111.5R118 L167 V168 L203 I206R118-E164 IonicContact CZ-OE1 2.63Å; R118-E164 IonicContact NE-OE1 2.73Å; R118-E164 PolarHBondContact NE-OE1 3.36Å; R118-E164 IonicContact NH2-OE1 3.56Å; R118-E164 PolarHBondContact NH2-OE1 2.82Å; E164-L167 PolarHBondContact O-N 3.24Å; E164-V168 WeakPolarHBondContact O-CB 3.14Å; E164-V168 VanDerWaalsContact O-CG2 3.31Å; E164-V168 WeakPolarHBondContact O-CG2 3.06Å; E164-V168 PolarHBondContact O-N 2.73Å; E164-L203 HydrophobicContact CG-CD1 3.92Å; E164-I206 HydrophobicContact CB-CG2 4.24Å
165E98.6Very high98.5Very high126 Ų12657.7 Ų57.759%0.58929%0.291SS*.Hα-helixtrans-64.3-45178.1-170.1-171.315200112T163 L167 V168 K169T163-E165 PolarHBondContact O-N 3.46Å; E165-L167 VanDerWaalsContact C-N 3.35Å; E165-V168 PolarHBondContact O-N 3.11Å; E165-K169 WeakPolarHBondContact O-CG 3.14Å; E165-K169 PolarHBondContact O-N 3.4Å; E165-K169 WeakPolarHBondContact OE1-CE 3.28Å; E165-K169 IonicContact OE1-NZ 3.21Å; E165-K169 PolarHBondContact OE1-NZ 3.32Å
166E98.8Very high98.5Very high94 Ų9454.6 Ų54.644%0.43928%0.276SS..Hα-helixtrans-62.8-42.2175.2-72.2163.7142.200111.5I162 T163 V168 K169 L170I162-E166 HydrophobicContact CG1-CB 3.95Å; T163-E166 WeakPolarHBondContact CB-OE2 3.12Å; T163-E166 PolarHBondContact N-OE2 3.06Å; T163-E166 PolarHBondContact O-N 3.28Å; T163-E166 WeakPolarHBondContact OG1-CB 3.34Å; T163-E166 VanDerWaalsContact OG1-CD 3.26Å; T163-E166 WeakPolarHBondContact OG1-CG 3.48Å; T163-E166 PolarHBondContact OG1-N 2.8Å; T163-E166 PolarHBondContact OG1-OE2 2.89Å; E166-V168 VanDerWaalsContact C-N 3.34Å; E166-V168 PolarHBondContact O-N 2.93Å; E166-K169 PolarHBondContact O-N 3.34Å; E166-L170 WeakPolarHBondContact O-CG 3.3Å; E166-L170 PolarHBondContact O-N 2.92Å
167L98.9Very high98.5Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-61.9-43.2175.5179.760.6000111.6F114 F157 I162 T163 E164 E165 K169 L170 M171 V202 L203 I206F114-L167 HydrophobicContact CE2-CD2 3.81Å; F114-L167 HydrophobicContact CE2-CG 4Å; F114-L167 HydrophobicContact CZ-CD2 4.13Å; F114-L167 HydrophobicContact CZ-CG 3.92Å; F157-L167 HydrophobicContact CD1-CD1 4.19Å; F157-L167 HydrophobicContact CE1-CD1 3.88Å; I162-L167 HydrophobicContact CD1-CB 4.21Å; T163-L167 PolarHBondContact O-N 3.48Å; E164-L167 PolarHBondContact O-N 3.24Å; E165-L167 VanDerWaalsContact C-N 3.35Å; L167-K169 VanDerWaalsContact C-N 3.34Å; L167-K169 PolarHBondContact O-N 3.34Å; L167-L170 PolarHBondContact O-N 3.44Å; L167-M171 HydrophobicContact CD1-CE 4.26Å; L167-M171 HydrophobicContact CD1-CG 4.28Å; L167-M171 HydrophobicContact CG-CG 4.49Å; L167-M171 WeakPolarHBondContact O-CG 3.31Å; L167-M171 PolarHBondContact O-N 3.02Å; L167-V202 HydrophobicContact CD1-CB 4.04Å; L167-V202 HydrophobicContact CD1-CG1 4Å; L167-V202 HydrophobicContact CD2-CB 3.92Å; L167-V202 HydrophobicContact CD2-CG1 3.91Å; L167-V202 HydrophobicContact CG-CG1 4.48Å; L167-L203 HydrophobicContact CD2-CB 3.94Å; L167-I206 HydrophobicContact CB-CD1 4Å; L167-I206 HydrophobicContact CD2-CD1 3.75Å
168V98.9Very high98.5Very high30 Ų3051.7 Ų51.718%0.18226%0.263CS..Hα-helixtrans-59.7-45.2175.1163.80000110.8F114 F115 E164 E165 E166 L170 M171 T172F114-V168 HydrophobicContact CE1-CG2 4.11Å; F114-V168 HydrophobicContact CZ-CG2 4.1Å; F115-V168 HydrophobicContact CE1-CG1 4.13Å; E164-V168 WeakPolarHBondContact O-CB 3.14Å; E164-V168 VanDerWaalsContact O-CG2 3.31Å; E164-V168 WeakPolarHBondContact O-CG2 3.06Å; E164-V168 PolarHBondContact O-N 2.73Å; E165-V168 PolarHBondContact O-N 3.11Å; E166-V168 VanDerWaalsContact C-N 3.34Å; E166-V168 PolarHBondContact O-N 2.93Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 PolarHBondContact O-N 2.94Å; V168-M171 PolarHBondContact O-N 3.44Å; V168-T172 WeakPolarHBondContact O-CB 3.48Å; V168-T172 PolarHBondContact O-N 2.95Å; V168-T172 PolarHBondContact O-OG1 3.38Å; V168-T172 VanDerWaalsContact O-OG1 3.06Å
169K98.8Very high98.5Very high120 Ų12051.5 Ų51.552%0.52226%0.264SS..Hα-helixtrans-58.8-42.2176.1-73.2172-175.3166.50111.9E165 E166 L167 K173E165-K169 WeakPolarHBondContact O-CG 3.14Å; E165-K169 PolarHBondContact O-N 3.4Å; E165-K169 WeakPolarHBondContact OE1-CE 3.28Å; E165-K169 IonicContact OE1-NZ 3.21Å; E165-K169 PolarHBondContact OE1-NZ 3.32Å; E166-K169 PolarHBondContact O-N 3.34Å; L167-K169 VanDerWaalsContact C-N 3.34Å; L167-K169 PolarHBondContact O-N 3.34Å; K169-K173 VanDerWaalsContact O-CB 3.27Å; K169-K173 WeakPolarHBondContact O-CB 3.3Å; K169-K173 PolarHBondContact O-N 3.38Å
170L98.9Very high98.6Very high19 Ų1956.8 Ų56.810%0.09928%0.283CS..Hα-helixtrans-64.3-45.1176.3-72.4173000112.3L153 M156 F157 I162 E166 L167 V168 K173 F174 W188L153-L170 HydrophobicContact CD2-CD2 4.11Å; M156-L170 HydrophobicContact CB-CD1 4.14Å; M156-L170 HydrophobicContact CE-CD2 3.77Å; M156-L170 HydrophobicContact SD-CD1 4.36Å; M156-L170 HydrophobicContact SD-CD2 4.08Å; F157-L170 HydrophobicContact CD1-CD1 4.24Å; F157-L170 HydrophobicContact CE1-CB 4.16Å; F157-L170 HydrophobicContact CE1-CD1 3.67Å; F157-L170 HydrophobicContact CZ-CB 4.25Å; F157-L170 HydrophobicContact CZ-CD1 4.12Å; I162-L170 HydrophobicContact CD1-CD1 4.03Å; E166-L170 WeakPolarHBondContact O-CG 3.3Å; E166-L170 PolarHBondContact O-N 2.92Å; L167-L170 PolarHBondContact O-N 3.44Å; V168-L170 VanDerWaalsContact C-N 3.32Å; V168-L170 PolarHBondContact O-N 2.94Å; L170-K173 PolarHBondContact O-N 3.4Å; L170-F174 PolarHBondContact O-N 3.16Å; L170-W188 HydrophobicContact CB-CH2 4.25Å; L170-W188 HydrophobicContact CD2-CH2 4.5Å; L170-W188 VanDerWaalsContact O-CH2 3.28Å; L170-W188 WeakPolarHBondContact O-CH2 3.43Å; L170-W188 WeakPolarHBondContact O-CZ2 3.24Å
171M98.9Very high98.7Very high0 Ų054 Ų540%028%0.282CS..Hα-helixtrans-65.4-40.5178.9-66.7-59.195.700111.9L110 F114 F115 F157 L167 V168 F174 V175 W188 V195L110-M171 HydrophobicContact CD2-CB 4.07Å; L110-M171 WeakPolarHBondContact CD2-O 3.35Å; L110-M171 HydrophobicContact CD2-SD 4.24Å; F114-M171 HydrophobicContact CD1-CB 3.69Å; F114-M171 HydrophobicContact CD1-CG 3.63Å; F114-M171 HydrophobicContact CD2-CG 4.11Å; F114-M171 HydrophobicContact CE1-CB 3.59Å; F114-M171 HydrophobicContact CE1-CG 3.48Å; F114-M171 VanDerWaalsContact CE1-CG 3.48Å; F114-M171 HydrophobicContact CE2-CG 3.95Å; F114-M171 HydrophobicContact CG-CB 4.43Å; F114-M171 HydrophobicContact CG-CG 3.94Å; F114-M171 HydrophobicContact CZ-CB 4.24Å; F114-M171 HydrophobicContact CZ-CG 3.64Å; F115-M171 HydrophobicContact CZ-CB 4.35Å; F157-M171 HydrophobicContact CE1-CE 3.57Å; F157-M171 HydrophobicContact CZ-CE 3.5Å; L167-M171 HydrophobicContact CD1-CE 4.26Å; L167-M171 HydrophobicContact CD1-CG 4.28Å; L167-M171 HydrophobicContact CG-CG 4.49Å; L167-M171 WeakPolarHBondContact O-CG 3.31Å; L167-M171 PolarHBondContact O-N 3.02Å; V168-M171 PolarHBondContact O-N 3.44Å; M171-F174 PolarHBondContact O-N 3.36Å; M171-V175 PolarHBondContact O-N 3.41Å; M171-W188 HydrophobicContact CE-CH2 4.37Å; M171-W188 HydrophobicContact CE-CZ3 4.32Å; M171-V195 HydrophobicContact CE-CG1 4.01Å; M171-V195 HydrophobicContact SD-CG1 4.1Å
172T98.9Very high98.7Very high61 Ų6151.1 Ų51.137%0.37426%0.264SS..Hα-helixtrans-63.9-44.3172.5-58.80000111.2V168 F174 V175 E176V168-T172 WeakPolarHBondContact O-CB 3.48Å; V168-T172 PolarHBondContact O-N 2.95Å; V168-T172 PolarHBondContact O-OG1 3.38Å; V168-T172 VanDerWaalsContact O-OG1 3.06Å; T172-F174 VanDerWaalsContact C-N 3.33Å; T172-F174 PolarHBondContact O-N 3.41Å; T172-V175 PolarHBondContact O-N 3.46Å; T172-E176 HydrophobicContact CG2-CG 4.44Å; T172-E176 PolarHBondContact O-N 2.83Å
173K98.8Very high98.7Very high76 Ų7651.5 Ų51.533%0.3327%0.266SS..Hα-helixtrans-58.2-43.7177.9172.5168.1168.1530111.7K169 L170 V175 E176 D177 E186 W188K169-K173 VanDerWaalsContact O-CB 3.27Å; K169-K173 WeakPolarHBondContact O-CB 3.3Å; K169-K173 PolarHBondContact O-N 3.38Å; L170-K173 PolarHBondContact O-N 3.4Å; K173-V175 PolarHBondContact O-N 2.99Å; K173-E176 PolarHBondContact O-N 2.81Å; K173-D177 WeakPolarHBondContact CE-OD2 3.4Å; K173-D177 WeakPolarHBondContact CG-OD2 3.43Å; K173-D177 VanDerWaalsContact NZ-CG 3.34Å; K173-D177 IonicContact NZ-OD1 2.73Å; K173-D177 PolarHBondContact NZ-OD1 3.11Å; K173-D177 VanDerWaalsContact NZ-OD1 3.15Å; K173-D177 IonicContact NZ-OD2 3.15Å; K173-D177 PolarHBondContact NZ-OD2 3.19Å; K173-D177 WeakPolarHBondContact O-CB 3.42Å; K173-D177 PolarHBondContact O-N 3.01Å; K173-E186 IonicContact NZ-OE2 2.74Å; K173-E186 PolarHBondContact NZ-OE2 2.98Å; K173-W188 HydrophobicContact CB-CZ2 4.45Å; K173-W188 HydrophobicContact CG-CZ2 4.23Å
174F98.9Very high98.7Very high0 Ų054.8 Ų54.80%028%0.277CS..Hα-helixtrans-54.8-50.2175.3171.3-112.8000111.8F102 A106 L110 L170 M171 T172 E176 D177 T178 W188 A192 V195F102-F174 HydrophobicContact CE1-CZ 4.27Å; F102-F174 HydrophobicContact CZ-CZ 4.09Å; A106-F174 HydrophobicContact CB-CD1 4.42Å; A106-F174 HydrophobicContact CB-CE1 3.73Å; A106-F174 HydrophobicContact CB-CZ 4.22Å; L110-F174 HydrophobicContact CD1-CD1 3.87Å; L110-F174 HydrophobicContact CD1-CE1 3.76Å; L110-F174 HydrophobicContact CD2-CD1 3.73Å; L110-F174 HydrophobicContact CD2-CE1 4.47Å; L110-F174 HydrophobicContact CG-CD1 4.49Å; L170-F174 PolarHBondContact O-N 3.16Å; M171-F174 PolarHBondContact O-N 3.36Å; T172-F174 VanDerWaalsContact C-N 3.33Å; T172-F174 PolarHBondContact O-N 3.41Å; F174-E176 VanDerWaalsContact C-N 3.33Å; F174-E176 PolarHBondContact O-N 3.17Å; F174-D177 PolarHBondContact O-N 3.15Å; F174-T178 HydrophobicContact CD2-CG2 4.12Å; F174-T178 HydrophobicContact CE1-CG2 4.4Å; F174-T178 HydrophobicContact CE2-CG2 3.69Å; F174-T178 HydrophobicContact CZ-CG2 3.85Å; F174-T178 WeakPolarHBondContact O-CG2 3.48Å; F174-T178 PolarHBondContact O-N 2.9Å; F174-W188 HydrophobicContact CB-CD2 3.95Å; F174-W188 HydrophobicContact CB-CE3 4.03Å; F174-W188 HydrophobicContact CB-CH2 3.87Å; F174-W188 HydrophobicContact CB-CZ2 3.78Å; F174-W188 HydrophobicContact CB-CZ3 3.99Å; F174-W188 HydrophobicContact CD2-CB 3.81Å; F174-W188 AromaticContact CD2-CD2 3.58Å; F174-W188 HydrophobicContact CD2-CD2 3.58Å; F174-W188 AromaticContact CD2-CE3 3.79Å; F174-W188 HydrophobicContact CD2-CE3 3.79Å; F174-W188 AromaticContact CD2-CG 3.59Å; F174-W188 HydrophobicContact CD2-CG 3.59Å; F174-W188 HydrophobicContact CE2-CB 4Å; F174-W188 HydrophobicContact CE2-CG 4.28Å; F174-W188 HydrophobicContact CG-CD2 4.19Å; F174-W188 HydrophobicContact CG-CE3 4.19Å; F174-A192 HydrophobicContact CE1-CB 4.46Å; F174-V195 HydrophobicContact CB-CG1 4.15Å; F174-V195 HydrophobicContact CD1-CB 3.98Å; F174-V195 HydrophobicContact CD1-CG1 3.56Å; F174-V195 HydrophobicContact CD1-CG2 4.43Å; F174-V195 HydrophobicContact CD2-CG1 4.2Å; F174-V195 HydrophobicContact CD2-CG2 4.15Å; F174-V195 HydrophobicContact CE1-CB 3.81Å; F174-V195 HydrophobicContact CE1-CG1 3.95Å; F174-V195 HydrophobicContact CE1-CG2 4.13Å; F174-V195 HydrophobicContact CE2-CB 4.39Å; F174-V195 HydrophobicContact CE2-CG2 3.83Å; F174-V195 HydrophobicContact CG-CB 4.34Å; F174-V195 HydrophobicContact CG-CG1 3.69Å; F174-V195 HydrophobicContact CG-CG2 4.43Å; F174-V195 HydrophobicContact CZ-CB 4.02Å; F174-V195 HydrophobicContact CZ-CG1 4.42Å; F174-V195 HydrophobicContact CZ-CG2 3.82Å
175V98.8Very high98.7Very high10 Ų1061.8 Ų61.86%0.06131%0.307CS..Hα-helixtrans-58-47.5178.5179.50000110.8E107 L110 M171 T172 K173 D177 T178 K179E107-V175 HydrophobicContact CB-CG1 3.86Å; E107-V175 HydrophobicContact CG-CG1 4.32Å; L110-V175 HydrophobicContact CB-CG2 4.17Å; L110-V175 HydrophobicContact CD2-CG2 3.74Å; L110-V175 HydrophobicContact CG-CG2 4.44Å; M171-V175 PolarHBondContact O-N 3.41Å; T172-V175 PolarHBondContact O-N 3.46Å; K173-V175 PolarHBondContact O-N 2.99Å; V175-D177 PolarHBondContact O-N 3.48Å; V175-T178 PolarHBondContact O-N 3.23Å; V175-T178 PolarHBondContact O-OG1 3.24Å; V175-K179 HydrophobicContact CG1-CD 4.39Å; V175-K179 PolarHBondContact O-N 3Å; V175-K179 VanDerWaalsContact O-N 3.09Å
176E98.8Very high98.7Very high71 Ų7159.7 Ų59.733%0.33230%0.297SS..Hα-helixtrans-67.5-35.6-178.7-65.1-50.7134.600113.4T172 K173 F174 T178 K179 K180T172-E176 HydrophobicContact CG2-CG 4.44Å; T172-E176 PolarHBondContact O-N 2.83Å; K173-E176 PolarHBondContact O-N 2.81Å; F174-E176 VanDerWaalsContact C-N 3.33Å; F174-E176 PolarHBondContact O-N 3.17Å; E176-T178 VanDerWaalsContact C-N 3.33Å; E176-T178 PolarHBondContact O-N 3.43Å; E176-K179 PolarHBondContact O-N 3.32Å; E176-K179 IonicContact OE1-NZ 3.19Å; E176-K179 PolarHBondContact OE1-NZ 2.7Å; E176-K180 WeakPolarHBondContact O-CG 3.44Å; E176-K180 PolarHBondContact O-N 3.16Å; E176-K180 VanDerWaalsContact O-N 3.1Å
177D98.8Very high98.7Very high9 Ų955.8 Ų55.85%0.04828%0.282CS..Hα-helixtrans-67.4-34.8175.4-66.6-19.9000111.3K173 F174 V175 K180 G181 V182 H183 E186 W188K173-D177 WeakPolarHBondContact CE-OD2 3.4Å; K173-D177 WeakPolarHBondContact CG-OD2 3.43Å; K173-D177 VanDerWaalsContact NZ-CG 3.34Å; K173-D177 IonicContact NZ-OD1 2.73Å; K173-D177 PolarHBondContact NZ-OD1 3.11Å; K173-D177 VanDerWaalsContact NZ-OD1 3.15Å; K173-D177 IonicContact NZ-OD2 3.15Å; K173-D177 PolarHBondContact NZ-OD2 3.19Å; K173-D177 WeakPolarHBondContact O-CB 3.42Å; K173-D177 PolarHBondContact O-N 3.01Å; F174-D177 PolarHBondContact O-N 3.15Å; V175-D177 PolarHBondContact O-N 3.48Å; D177-K180 PolarHBondContact O-N 3.28Å; D177-G181 PolarHBondContact O-N 2.96Å; D177-G181 VanDerWaalsContact O-N 3.07Å; D177-V182 HydrophobicContact CB-CG2 4.1Å; D177-V182 PolarHBondContact O-N 3.45Å; D177-H183 HydrophobicContact CB-CB 4.09Å; D177-H183 PolarHBondContact O-N 2.93Å; D177-E186 HydrophobicContact CB-CG 4.46Å; D177-W188 PolarHBondContact OD2-NE1 3.27Å
178T98.7Very high98.7Very high9 Ų956.1 Ų56.16%0.05528%0.283CS..Hα-helixtrans-68.1-38.6173.3650000112.5F102 A103 A106 F174 V175 E176 K180 G181 H183F102-T178 HydrophobicContact CD1-CG2 3.77Å; F102-T178 HydrophobicContact CE1-CG2 3.47Å; F102-T178 VanDerWaalsContact CE1-CG2 3.47Å; F102-T178 HydrophobicContact CZ-CG2 4.49Å; A103-T178 WeakPolarHBondContact CA-OG1 3.36Å; A106-T178 HydrophobicContact CB-CG2 4.04Å; F174-T178 HydrophobicContact CD2-CG2 4.12Å; F174-T178 HydrophobicContact CE1-CG2 4.4Å; F174-T178 HydrophobicContact CE2-CG2 3.69Å; F174-T178 HydrophobicContact CZ-CG2 3.85Å; F174-T178 WeakPolarHBondContact O-CG2 3.48Å; F174-T178 PolarHBondContact O-N 2.9Å; V175-T178 PolarHBondContact O-N 3.23Å; V175-T178 PolarHBondContact O-OG1 3.24Å; E176-T178 VanDerWaalsContact C-N 3.33Å; E176-T178 PolarHBondContact O-N 3.43Å; T178-K180 PolarHBondContact O-N 3.41Å; T178-G181 PolarHBondContact O-N 3.07Å; T178-G181 VanDerWaalsContact O-N 3.1Å; T178-H183 HydrophobicContact CG2-CB 3.8Å
179K98.6Very high98.6Very high89 Ų8955.2 Ų55.239%0.38728%0.279SS..Hα-helixtrans-62.3-34174.6-71.6172.5-179.9171.40112A103 E107 V175 E176A103-K179 HydrophobicContact CB-CB 4.47Å; A103-K179 HydrophobicContact CB-CG 3.99Å; E107-K179 WeakPolarHBondContact OE1-CE 3.45Å; E107-K179 IonicContact OE1-NZ 3.15Å; E107-K179 PolarHBondContact OE1-NZ 2.83Å; V175-K179 HydrophobicContact CG1-CD 4.39Å; V175-K179 PolarHBondContact O-N 3Å; V175-K179 VanDerWaalsContact O-N 3.09Å; E176-K179 PolarHBondContact O-N 3.32Å; E176-K179 IonicContact OE1-NZ 3.19Å; E176-K179 PolarHBondContact OE1-NZ 2.7Å
180K98.6Very high98.5Very high146 Ų14654.5 Ų54.564%0.63528%0.28SS*.THydrogen-bonded Turntrans-82.8-9.3176.1-67.9170.1-170.9172.30113.8E176 D177 T178 V182E176-K180 WeakPolarHBondContact O-CG 3.44Å; E176-K180 PolarHBondContact O-N 3.16Å; E176-K180 VanDerWaalsContact O-N 3.1Å; D177-K180 PolarHBondContact O-N 3.28Å; T178-K180 PolarHBondContact O-N 3.41Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 HydrophobicContact CB-CG1 4.44Å; K180-V182 HydrophobicContact CB-CG2 3.9Å; K180-V182 PolarHBondContact O-N 3.22Å
181G98.3Very high98.5Very high60 Ų6055.6 Ų55.662%0.61929%0.288SS*.THydrogen-bonded Turntrans68.726.7-176.400000114.2D177 T178D177-G181 PolarHBondContact O-N 2.96Å; D177-G181 VanDerWaalsContact O-N 3.07Å; T178-G181 PolarHBondContact O-N 3.07Å; T178-G181 VanDerWaalsContact O-N 3.1Å
182V98.6Very high98.5Very high49 Ų4955.8 Ų55.830%0.29729%0.289SS..  trans-117.75.5-176.4-59.40000113.5D177 K180 E184 K185 E186D177-V182 HydrophobicContact CB-CG2 4.1Å; D177-V182 PolarHBondContact O-N 3.45Å; K180-V182 VanDerWaalsContact C-N 3.32Å; K180-V182 HydrophobicContact CB-CG1 4.44Å; K180-V182 HydrophobicContact CB-CG2 3.9Å; K180-V182 PolarHBondContact O-N 3.22Å; V182-E184 VanDerWaalsContact C-N 3.34Å; V182-E184 PolarHBondContact O-N 3.39Å; V182-K185 WeakPolarHBondContact O-CB 3.43Å; V182-K185 PolarHBondContact O-N 3.48Å; V182-K185 VanDerWaalsContact O-N 3.07Å; V182-E186 HydrophobicContact CB-CG 4.41Å; V182-E186 HydrophobicContact CG2-CG 3.96Å; V182-E186 WeakPolarHBondContact O-CG 3.48Å; V182-E186 PolarHBondContact O-N 3.09Å
183H98.6Very high98.5Very high17 Ų1755.4 Ų55.48%0.07928%0.281CS..THydrogen-bonded Turntrans-57.5-41.4-171.464.6-76.3000113.7F102 D177 T178 E186 G187 W188 N190F102-H183 AromaticContact CD1-CE1 3.81Å; F102-H183 AromaticContact CD1-NE2 3.9Å; F102-H183 AromaticContact CE1-CD2 3.71Å; F102-H183 AromaticContact CE1-CE1 3.81Å; F102-H183 AromaticContact CE1-NE2 3.45Å; F102-H183 WeakPolarHBondContact CE1-NE2 3.35Å; D177-H183 HydrophobicContact CB-CB 4.09Å; D177-H183 PolarHBondContact O-N 2.93Å; T178-H183 HydrophobicContact CG2-CB 3.8Å; H183-E186 CarbonylContact O-C 3.43Å; H183-E186 PolarHBondContact O-N 3.21Å; H183-G187 PolarHBondContact O-N 3.49Å; H183-W188 HydrophobicContact CB-CB 4.05Å; H183-W188 HydrophobicContact CB-CG 4.34Å; H183-W188 VanDerWaalsContact O-CB 3.31Å; H183-W188 WeakPolarHBondContact O-CB 3.42Å; H183-W188 VanDerWaalsContact O-CD1 3.28Å; H183-W188 PolarHBondContact O-N 3.08Å; H183-N190 PolarHBondContact NE2-OD1 2.77Å
184E98.3Very high98.5Very high127 Ų12751.8 Ų51.859%0.59327%0.266SS*.THydrogen-bonded Turntrans-65.9-39.7178-61.2-175.7-134.100111.8V182 E186 G187V182-E184 VanDerWaalsContact C-N 3.34Å; V182-E184 PolarHBondContact O-N 3.39Å; E184-E186 VanDerWaalsContact C-N 3.28Å; E184-E186 PolarHBondContact O-N 2.8Å; E184-G187 PolarHBondContact O-N 2.95Å
185K98.3Very high98.5Very high184 Ų18451.8 Ų51.880%0.827%0.266SS*.THydrogen-bonded Turntrans-64.5-35.8175.5-176-174.9175-173.40111.6V182 G187V182-K185 WeakPolarHBondContact O-CB 3.43Å; V182-K185 PolarHBondContact O-N 3.48Å; V182-K185 VanDerWaalsContact O-N 3.07Å; K185-G187 PolarHBondContact O-N 2.77Å
186E98.6Very high98.5Very high82 Ų8251.3 Ų51.338%0.38326%0.263SS..THydrogen-bonded Turntrans-78.64.7175.4-63.5-68126.400112.8K173 D177 V182 H183 E184K173-E186 IonicContact NZ-OE2 2.74Å; K173-E186 PolarHBondContact NZ-OE2 2.98Å; D177-E186 HydrophobicContact CB-CG 4.46Å; V182-E186 HydrophobicContact CB-CG 4.41Å; V182-E186 HydrophobicContact CG2-CG 3.96Å; V182-E186 WeakPolarHBondContact O-CG 3.48Å; V182-E186 PolarHBondContact O-N 3.09Å; H183-E186 CarbonylContact O-C 3.43Å; H183-E186 PolarHBondContact O-N 3.21Å; E184-E186 VanDerWaalsContact C-N 3.28Å; E184-E186 PolarHBondContact O-N 2.8Å
187G98.5Very high98.5Very high13 Ų1348.3 Ų48.313%0.13425%0.249CC..THydrogen-bonded Turntrans89.110.3171.900000115.2C149 S150 L153 H183 E184 K185C149-G187 CarbonylContact C-O 3.55Å; C149-G187 VanDerWaalsContact CA-O 3.26Å; C149-G187 WeakPolarHBondContact CA-O 3.41Å; S150-G187 PolarHBondContact N-O 3.02Å; L153-G187 VanDerWaalsContact CD1-C 3.47Å; L153-G187 VanDerWaalsContact CD1-O 3.23Å; L153-G187 WeakPolarHBondContact CD1-O 3.39Å; H183-G187 PolarHBondContact O-N 3.49Å; E184-G187 PolarHBondContact O-N 2.95Å; K185-G187 PolarHBondContact O-N 2.77Å
188W98.8Very high98.5Very high6 Ų647.9 Ų47.92%0.02325%0.246CC..  trans-82.4146.5178.7-61.4104.9000112.4L153 F157 L170 M171 K173 F174 D177 H183 V195L153-W188 HydrophobicContact CD1-CD2 3.91Å; L153-W188 HydrophobicContact CD1-CE3 4.02Å; L153-W188 HydrophobicContact CD1-CG 4.33Å; L153-W188 HydrophobicContact CD1-CZ3 4.4Å; L153-W188 HydrophobicContact CD2-CE3 4.32Å; L153-W188 HydrophobicContact CD2-CH2 3.59Å; L153-W188 HydrophobicContact CD2-CZ2 3.82Å; L153-W188 HydrophobicContact CD2-CZ3 3.87Å; F157-W188 HydrophobicContact CE2-CH2 4.35Å; F157-W188 AromaticContact CE2-CZ3 3.81Å; F157-W188 HydrophobicContact CE2-CZ3 3.81Å; F157-W188 AromaticContact CZ-CH2 3.87Å; F157-W188 HydrophobicContact CZ-CH2 3.87Å; F157-W188 AromaticContact CZ-CZ3 3.64Å; F157-W188 HydrophobicContact CZ-CZ3 3.64Å; L170-W188 HydrophobicContact CB-CH2 4.25Å; L170-W188 HydrophobicContact CD2-CH2 4.5Å; L170-W188 VanDerWaalsContact O-CH2 3.28Å; L170-W188 WeakPolarHBondContact O-CH2 3.43Å; L170-W188 WeakPolarHBondContact O-CZ2 3.24Å; M171-W188 HydrophobicContact CE-CH2 4.37Å; M171-W188 HydrophobicContact CE-CZ3 4.32Å; K173-W188 HydrophobicContact CB-CZ2 4.45Å; K173-W188 HydrophobicContact CG-CZ2 4.23Å; F174-W188 HydrophobicContact CB-CD2 3.95Å; F174-W188 HydrophobicContact CB-CE3 4.03Å; F174-W188 HydrophobicContact CB-CH2 3.87Å; F174-W188 HydrophobicContact CB-CZ2 3.78Å; F174-W188 HydrophobicContact CB-CZ3 3.99Å; F174-W188 HydrophobicContact CD2-CB 3.81Å; F174-W188 AromaticContact CD2-CD2 3.58Å; F174-W188 HydrophobicContact CD2-CD2 3.58Å; F174-W188 AromaticContact CD2-CE3 3.79Å; F174-W188 HydrophobicContact CD2-CE3 3.79Å; F174-W188 AromaticContact CD2-CG 3.59Å; F174-W188 HydrophobicContact CD2-CG 3.59Å; F174-W188 HydrophobicContact CE2-CB 4Å; F174-W188 HydrophobicContact CE2-CG 4.28Å; F174-W188 HydrophobicContact CG-CD2 4.19Å; F174-W188 HydrophobicContact CG-CE3 4.19Å; D177-W188 PolarHBondContact OD2-NE1 3.27Å; H183-W188 HydrophobicContact CB-CB 4.05Å; H183-W188 HydrophobicContact CB-CG 4.34Å; H183-W188 VanDerWaalsContact O-CB 3.31Å; H183-W188 WeakPolarHBondContact O-CB 3.42Å; H183-W188 VanDerWaalsContact O-CD1 3.28Å; H183-W188 PolarHBondContact O-N 3.08Å; W188-V195 HydrophobicContact CE3-CG1 4.29Å; W188-V195 HydrophobicContact CE3-CG2 4.39Å; W188-V195 HydrophobicContact CZ3-CG1 4.08Å
189P98.3Very high98.5Very high12 Ų1247.5 Ų47.58%0.07824%0.244CC..  trans-75.1155.217334.5-36.9000110.4A145 C149 T191 V195A145-P189 HydrophobicContact CB-CG 4.11Å; A145-P189 WeakPolarHBondContact O-CG 3.49Å; C149-P189 VanDerWaalsContact SG-CD 3.53Å; P189-T191 HydrophobicContact CB-CG2 4.14Å; P189-T191 HydrophobicContact CG-CG2 4.24Å; P189-T191 PolarHBondContact O-N 2.92Å; P189-V195 HydrophobicContact CG-CG2 3.63Å
190N96.8Very high98.5Very high104 Ų10443.3 Ų43.356%0.55623%0.226SC*.SBendtrans-82.355.1179.9-159.415.4000112.7F102 H183F102-N190 WeakPolarHBondContact CZ-OD1 3.48Å; H183-N190 PolarHBondContact NE2-OD1 2.77Å
191T97.9Very high98.5Very high43 Ų4336.4 Ų36.426%0.26420%0.196SC..  trans-151.6101178.5176.50000112.6A145 P189 Y193 G194 V195A145-T191 HydrophobicContact CB-CG2 3.81Å; P189-T191 HydrophobicContact CB-CG2 4.14Å; P189-T191 HydrophobicContact CG-CG2 4.24Å; P189-T191 PolarHBondContact O-N 2.92Å; T191-Y193 VanDerWaalsContact C-N 3.33Å; T191-Y193 PolarHBondContact O-N 3.1Å; T191-G194 PolarHBondContact O-N 3.25Å; T191-G194 PolarHBondContact OG1-N 3.33Å; T191-V195 WeakPolarHBondContact O-CG2 3.48Å; T191-V195 PolarHBondContact O-N 3.41Å
192A98.5Very high98.6Very high3 Ų333.5 Ų33.53%0.02517%0.166CC..Hα-helixtrans-55.8-45.7175.100000112.8F102 Q105 A106 F174 V195 S196F102-A192 HydrophobicContact CE2-CB 4.08Å; F102-A192 HydrophobicContact CZ-CB 4.43Å; Q105-A192 HydrophobicContact CB-CB 4.37Å; A106-A192 HydrophobicContact CB-CB 4.13Å; F174-A192 HydrophobicContact CE1-CB 4.46Å; A192-V195 PolarHBondContact O-N 3.09Å; A192-S196 WeakPolarHBondContact O-CB 3.39Å; A192-S196 PolarHBondContact O-N 3.02Å
193Y98.8Very high98.6Very high53 Ų5331.2 Ų31.221%0.20815%0.152CC..Hα-helixtrans-61.9-46.1176.8176.6-103000111.7I92 A93 T109 V141 T191 V195 S196 K197I92-Y193 WeakPolarHBondContact O-CD2 3.48Å; A93-Y193 HydrophobicContact CB-CD2 3.64Å; A93-Y193 HydrophobicContact CB-CE2 4.03Å; A93-Y193 HydrophobicContact CB-CG 4.15Å; T109-Y193 HydrophobicContact CG2-CD2 4.4Å; V141-Y193 HydrophobicContact CB-CD1 4.3Å; V141-Y193 HydrophobicContact CB-CE1 4.12Å; V141-Y193 HydrophobicContact CG1-CD1 4.09Å; V141-Y193 HydrophobicContact CG1-CE1 4.42Å; V141-Y193 HydrophobicContact CG2-CE1 4.19Å; T191-Y193 VanDerWaalsContact C-N 3.33Å; T191-Y193 PolarHBondContact O-N 3.1Å; Y193-V195 PolarHBondContact O-N 3.5Å; Y193-S196 PolarHBondContact O-N 3.31Å; Y193-S196 PolarHBondContact O-OG 3.01Å; Y193-K197 HydrophobicContact CD2-CG 4.42Å; Y193-K197 HydrophobicContact CE1-CG 4.14Å; Y193-K197 HydrophobicContact CE2-CD 4.4Å; Y193-K197 HydrophobicContact CE2-CG 3.98Å; Y193-K197 WeakPolarHBondContact O-CG 3.42Å; Y193-K197 PolarHBondContact O-N 2.68Å; Y193-K197 VanDerWaalsContact O-N 3.08Å
194G98.8Very high98.6Very high0 Ų030.4 Ų30.40%015%0.148CC..Hα-helixtrans-58.9-48.4178.300000112.3T191 S196 K197 I198T191-G194 PolarHBondContact O-N 3.25Å; T191-G194 PolarHBondContact OG1-N 3.33Å; G194-S196 PolarHBondContact O-N 3.4Å; G194-K197 CarbonylContact O-C 3.55Å; G194-K197 PolarHBondContact O-N 3.12Å; G194-K197 VanDerWaalsContact O-N 3.09Å; G194-I198 PolarHBondContact O-N 3.47Å
195V98.9Very high98.6Very high0 Ų026.7 Ų26.70%013%0.129CC..Hα-helixtrans-62.3-41.7177.2178.70000111.5M171 F174 W188 P189 T191 A192 Y193 K197 I198 G199M171-V195 HydrophobicContact CE-CG1 4.01Å; M171-V195 HydrophobicContact SD-CG1 4.1Å; F174-V195 HydrophobicContact CB-CG1 4.15Å; F174-V195 HydrophobicContact CD1-CB 3.98Å; F174-V195 HydrophobicContact CD1-CG1 3.56Å; F174-V195 HydrophobicContact CD1-CG2 4.43Å; F174-V195 HydrophobicContact CD2-CG1 4.2Å; F174-V195 HydrophobicContact CD2-CG2 4.15Å; F174-V195 HydrophobicContact CE1-CB 3.81Å; F174-V195 HydrophobicContact CE1-CG1 3.95Å; F174-V195 HydrophobicContact CE1-CG2 4.13Å; F174-V195 HydrophobicContact CE2-CB 4.39Å; F174-V195 HydrophobicContact CE2-CG2 3.83Å; F174-V195 HydrophobicContact CG-CB 4.34Å; F174-V195 HydrophobicContact CG-CG1 3.69Å; F174-V195 HydrophobicContact CG-CG2 4.43Å; F174-V195 HydrophobicContact CZ-CB 4.02Å; F174-V195 HydrophobicContact CZ-CG1 4.42Å; F174-V195 HydrophobicContact CZ-CG2 3.82Å; W188-V195 HydrophobicContact CE3-CG1 4.29Å; W188-V195 HydrophobicContact CE3-CG2 4.39Å; W188-V195 HydrophobicContact CZ3-CG1 4.08Å; P189-V195 HydrophobicContact CG-CG2 3.63Å; T191-V195 WeakPolarHBondContact O-CG2 3.48Å; T191-V195 PolarHBondContact O-N 3.41Å; A192-V195 PolarHBondContact O-N 3.09Å; Y193-V195 PolarHBondContact O-N 3.5Å; V195-K197 PolarHBondContact O-N 3.34Å; V195-I198 WeakPolarHBondContact O-CB 3.3Å; V195-I198 PolarHBondContact O-N 3.18Å; V195-I198 VanDerWaalsContact O-N 3.12Å; V195-G199 PolarHBondContact O-N 3.4Å
196S98.9Very high98.7Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-58.5-34.9175.581.50000112.7N113 A192 Y193 G194 G199 V200N113-S196 WeakPolarHBondContact CB-OG 3.28Å; N113-S196 PolarHBondContact ND2-OG 3.35Å; A192-S196 WeakPolarHBondContact O-CB 3.39Å; A192-S196 PolarHBondContact O-N 3.02Å; Y193-S196 PolarHBondContact O-N 3.31Å; Y193-S196 PolarHBondContact O-OG 3.01Å; G194-S196 PolarHBondContact O-N 3.4Å; S196-G199 PolarHBondContact O-N 3.21Å; S196-V200 WeakPolarHBondContact O-CG2 3.16Å; S196-V200 PolarHBondContact O-N 3.47Å; S196-V200 VanDerWaalsContact O-N 3.12Å
197K98.9Very high98.7Very high9 Ų914.4 Ų14.44%0.0397%0.074CC..Hα-helixtrans-83.2-23.9178.6-63.5-59.5-171.51770112.9V137 S138 S142 Y193 G194 V195 G199 V200 T201V137-K197 PolarHBondContact O-NZ 3.37Å; S138-K197 PolarHBondContact OG-O 3.08Å; S142-K197 VanDerWaalsContact CB-O 3.32Å; S142-K197 WeakPolarHBondContact CB-O 3.14Å; Y193-K197 HydrophobicContact CD2-CG 4.42Å; Y193-K197 HydrophobicContact CE1-CG 4.14Å; Y193-K197 HydrophobicContact CE2-CD 4.4Å; Y193-K197 HydrophobicContact CE2-CG 3.98Å; Y193-K197 WeakPolarHBondContact O-CG 3.42Å; Y193-K197 PolarHBondContact O-N 2.68Å; Y193-K197 VanDerWaalsContact O-N 3.08Å; G194-K197 CarbonylContact O-C 3.55Å; G194-K197 PolarHBondContact O-N 3.12Å; G194-K197 VanDerWaalsContact O-N 3.09Å; V195-K197 PolarHBondContact O-N 3.34Å; K197-G199 VanDerWaalsContact C-N 3.31Å; K197-V200 HydrophobicContact CD-CG2 4.32Å; K197-V200 PolarHBondContact O-N 3.12Å; K197-T201 PolarHBondContact O-N 3.47Å; K197-T201 PolarHBondContact O-OG1 3.12Å
198I98.9Very high98.7Very high0 Ų013.8 Ų13.80%07%0.068CC..Hα-helixtrans-57.2-51.2161.2-65.4174.1000108.3S142 A145 L146 F157 G194 V195 V200 T201 V202 W276S142-I198 WeakPolarHBondContact O-CG1 3.45Å; A145-I198 HydrophobicContact CB-CD1 3.82Å; A145-I198 HydrophobicContact CB-CG1 4.19Å; L146-I198 HydrophobicContact CB-CD1 4.17Å; L146-I198 HydrophobicContact CB-CG1 4.38Å; F157-I198 HydrophobicContact CB-CG2 4.25Å; F157-I198 HydrophobicContact CD1-CG2 3.7Å; F157-I198 HydrophobicContact CD2-CG2 3.81Å; F157-I198 HydrophobicContact CE1-CG2 3.94Å; F157-I198 HydrophobicContact CE2-CG2 4.04Å; F157-I198 HydrophobicContact CG-CG2 3.65Å; F157-I198 HydrophobicContact CZ-CG2 4.1Å; G194-I198 PolarHBondContact O-N 3.47Å; V195-I198 WeakPolarHBondContact O-CB 3.3Å; V195-I198 PolarHBondContact O-N 3.18Å; V195-I198 VanDerWaalsContact O-N 3.12Å; I198-V200 PolarHBondContact O-N 2.92Å; I198-T201 PolarHBondContact O-N 2.89Å; I198-T201 VanDerWaalsContact O-N 3.12Å; I198-V202 HydrophobicContact CG2-CG2 4.08Å; I198-V202 WeakPolarHBondContact O-CG2 3.44Å; I198-V202 PolarHBondContact O-N 3.12Å; I198-W276 HydrophobicContact CB-CH2 4.41Å; I198-W276 HydrophobicContact CG1-CH2 4.21Å; I198-W276 HydrophobicContact CG2-CH2 4.32Å; I198-W276 HydrophobicContact CG2-CZ2 4.08Å
199G98.9Very high98.6Very high0 Ų016.5 Ų16.50%08%0.079CC..Hα-helixtrans-51.5-50.1176.700000112.9V195 S196 K197 T201 V202 L203V195-G199 PolarHBondContact O-N 3.4Å; S196-G199 PolarHBondContact O-N 3.21Å; K197-G199 VanDerWaalsContact C-N 3.31Å; G199-T201 PolarHBondContact O-N 3.28Å; G199-V202 PolarHBondContact O-N 3.02Å; G199-L203 WeakPolarHBondContact O-CB 3.36Å; G199-L203 PolarHBondContact O-N 3.03Å
200V98.9Very high98.6Very high1 Ų118.8 Ų18.81%0.0069%0.089CC..Hα-helixtrans-62.2-42.1178176.40000112.5N113 N136 S196 K197 I198 S204N113-V200 WeakPolarHBondContact O-CG2 3.49Å; N136-V200 HydrophobicContact CB-CG1 3.95Å; S196-V200 WeakPolarHBondContact O-CG2 3.16Å; S196-V200 PolarHBondContact O-N 3.47Å; S196-V200 VanDerWaalsContact O-N 3.12Å; K197-V200 HydrophobicContact CD-CG2 4.32Å; K197-V200 PolarHBondContact O-N 3.12Å; I198-V200 PolarHBondContact O-N 2.92Å; V200-S204 PolarHBondContact O-N 3.36Å; V200-S204 VanDerWaalsContact O-N 3.12Å; V200-S204 PolarHBondContact O-OG 2.94Å
201T98.9Very high98.7Very high1 Ų114.6 Ų14.61%0.0067%0.066CC..Hα-helixtrans-66.2-46.4178.8-65.30000111.4S138 S142 K197 I198 G199 S204 R205 A224 F267 W276S138-T201 WeakPolarHBondContact CB-OG1 3.49Å; S138-T201 PolarHBondContact OG-OG1 2.95Å; S142-T201 PolarHBondContact OG-OG1 3.25Å; K197-T201 PolarHBondContact O-N 3.47Å; K197-T201 PolarHBondContact O-OG1 3.12Å; I198-T201 PolarHBondContact O-N 2.89Å; I198-T201 VanDerWaalsContact O-N 3.12Å; G199-T201 PolarHBondContact O-N 3.28Å; T201-S204 WeakPolarHBondContact O-CB 3.38Å; T201-S204 PolarHBondContact O-N 3.49Å; T201-R205 PolarHBondContact O-N 3.25Å; T201-A224 HydrophobicContact CG2-CB 4.43Å; T201-F267 HydrophobicContact CG2-CB 4.13Å; T201-F267 HydrophobicContact CG2-CD2 4.31Å; T201-F267 HydrophobicContact CG2-CG 4.27Å; T201-W276 HydrophobicContact CG2-CD2 3.67Å; T201-W276 HydrophobicContact CG2-CE3 3.6Å; T201-W276 HydrophobicContact CG2-CG 4.39Å; T201-W276 HydrophobicContact CG2-CH2 3.89Å; T201-W276 HydrophobicContact CG2-CZ2 3.93Å; T201-W276 HydrophobicContact CG2-CZ3 3.72Å
202V98.9Very high98.6Very high0 Ų016.6 Ų16.60%08%0.075CC..Hα-helixtrans-68.8-39.3-179.7-176.40000111F157 I162 L167 I198 G199 S204 R205 I206 W276F157-V202 HydrophobicContact CB-CG2 4.09Å; F157-V202 HydrophobicContact CD1-CG2 4.02Å; F157-V202 HydrophobicContact CG-CG2 4.43Å; F157-V202 WeakPolarHBondContact O-CG2 3.34Å; I162-V202 HydrophobicContact CD1-CG1 4.36Å; I162-V202 HydrophobicContact CG2-CG1 3.94Å; L167-V202 HydrophobicContact CD1-CB 4.04Å; L167-V202 HydrophobicContact CD1-CG1 4Å; L167-V202 HydrophobicContact CD2-CB 3.92Å; L167-V202 HydrophobicContact CD2-CG1 3.91Å; L167-V202 HydrophobicContact CG-CG1 4.48Å; I198-V202 HydrophobicContact CG2-CG2 4.08Å; I198-V202 WeakPolarHBondContact O-CG2 3.44Å; I198-V202 PolarHBondContact O-N 3.12Å; G199-V202 PolarHBondContact O-N 3.02Å; V202-S204 VanDerWaalsContact C-N 3.25Å; V202-S204 PolarHBondContact O-N 2.98Å; V202-R205 WeakPolarHBondContact O-CB 3.37Å; V202-R205 PolarHBondContact O-N 3.49Å; V202-R205 VanDerWaalsContact O-N 3.08Å; V202-I206 HydrophobicContact CG1-CD1 4.08Å; V202-I206 HydrophobicContact CG1-CG1 4.46Å; V202-I206 WeakPolarHBondContact O-CG1 3.28Å; V202-I206 PolarHBondContact O-N 3.37Å; V202-W276 HydrophobicContact CG2-CZ2 3.7Å
203L98.9Very high98.4Very high0 Ų022.5 Ų22.50%010%0.103CC..Hα-helixtrans-57-42174.3-17764.7000111.4F114 R118 E164 L167 G199 R205 I206 Q207F114-L203 HydrophobicContact CE2-CB 4.31Å; F114-L203 HydrophobicContact CE2-CD2 4.41Å; R118-L203 HydrophobicContact CB-CD2 3.93Å; R118-L203 HydrophobicContact CG-CD2 4.41Å; E164-L203 HydrophobicContact CG-CD1 3.92Å; L167-L203 HydrophobicContact CD2-CB 3.94Å; G199-L203 WeakPolarHBondContact O-CB 3.36Å; G199-L203 PolarHBondContact O-N 3.03Å; L203-R205 PolarHBondContact O-N 3.05Å; L203-I206 PolarHBondContact O-N 3.22Å; L203-Q207 HydrophobicContact CD1-CG 4.22Å; L203-Q207 HydrophobicContact CG-CG 4.34Å; L203-Q207 WeakPolarHBondContact O-CB 3.36Å; L203-Q207 VanDerWaalsContact O-CG 3.28Å; L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 3.4Å
204S98.9Very high98.4Very high0 Ų027.4 Ų27.40%013%0.125CC..Hα-helixtrans-61.6-42176.3-53.20000112.3N136 V200 T201 V202 I206 Q207 A208 L222N136-S204 WeakPolarHBondContact CB-OG 3.48Å; N136-S204 PolarHBondContact ND2-OG 3.26Å; V200-S204 PolarHBondContact O-N 3.36Å; V200-S204 VanDerWaalsContact O-N 3.12Å; V200-S204 PolarHBondContact O-OG 2.94Å; T201-S204 WeakPolarHBondContact O-CB 3.38Å; T201-S204 PolarHBondContact O-N 3.49Å; V202-S204 VanDerWaalsContact C-N 3.25Å; V202-S204 PolarHBondContact O-N 2.98Å; S204-I206 PolarHBondContact O-N 3.28Å; S204-Q207 PolarHBondContact O-N 2.86Å; S204-A208 VanDerWaalsContact O-CB 3.26Å; S204-A208 WeakPolarHBondContact O-CB 3.34Å; S204-A208 PolarHBondContact O-N 2.91Å; S204-L222 VanDerWaalsContact O-CD2 3.24Å; S204-L222 WeakPolarHBondContact O-CD2 3.45Å
205R98.8Very high98.3Very high49 Ų4930.3 Ų30.319%0.18514%0.136CC..Hα-helixtrans-61.8-43.6176-69.6166.752.976.6-0.5111.6R158 N160 T201 V202 L203 R209R158-R205 PolarHBondContact O-NH2 2.85Å; N160-R205 PolarHBondContact OD1-NH2 3.45Å; T201-R205 PolarHBondContact O-N 3.25Å; V202-R205 WeakPolarHBondContact O-CB 3.37Å; V202-R205 PolarHBondContact O-N 3.49Å; V202-R205 VanDerWaalsContact O-N 3.08Å; L203-R205 PolarHBondContact O-N 3.05Å; R205-R209 PolarHBondContact O-N 3Å; R205-R209 VanDerWaalsContact O-N 3.14Å
206I98.9Very high97.8Very high1 Ų138.6 Ų38.61%0.00517%0.172CC..Hα-helixtrans-63.4-50.4178.1-64.5167.7000110.7I162 E164 L167 V202 L203 S204 A208 R209 M210I162-I206 HydrophobicContact CG2-CD1 4.11Å; I162-I206 HydrophobicContact CG2-CG1 4.1Å; I162-I206 WeakPolarHBondContact O-CG1 3.46Å; E164-I206 HydrophobicContact CB-CG2 4.24Å; L167-I206 HydrophobicContact CB-CD1 4Å; L167-I206 HydrophobicContact CD2-CD1 3.75Å; V202-I206 HydrophobicContact CG1-CD1 4.08Å; V202-I206 HydrophobicContact CG1-CG1 4.46Å; V202-I206 WeakPolarHBondContact O-CG1 3.28Å; V202-I206 PolarHBondContact O-N 3.37Å; L203-I206 PolarHBondContact O-N 3.22Å; S204-I206 PolarHBondContact O-N 3.28Å; I206-A208 VanDerWaalsContact C-N 3.35Å; I206-A208 PolarHBondContact O-N 3.21Å; I206-R209 WeakPolarHBondContact O-CB 3.49Å; I206-R209 PolarHBondContact O-N 3.08Å; I206-R209 VanDerWaalsContact O-N 3.16Å; I206-M210 HydrophobicContact CG2-CG 4.42Å; I206-M210 HydrophobicContact CG2-SD 3.92Å; I206-M210 WeakPolarHBondContact O-CG 3.43Å; I206-M210 PolarHBondContact O-N 2.99Å
207Q98.7Very high97.6Very high7 Ų741.4 Ų41.43%0.03320%0.201CC..Hα-helixtrans-65.6-38-176.4-71.4173-15.500112.2C121 L125 L203 S204 M210 I211 L222C121-Q207 PolarHBondContact SG-OE1 2.96Å; C121-Q207 VanDerWaalsContact SG-OE1 3.36Å; L125-Q207 HydrophobicContact CD1-CB 4.14Å; L125-Q207 HydrophobicContact CD1-CG 3.93Å; L203-Q207 HydrophobicContact CD1-CG 4.22Å; L203-Q207 HydrophobicContact CG-CG 4.34Å; L203-Q207 WeakPolarHBondContact O-CB 3.36Å; L203-Q207 VanDerWaalsContact O-CG 3.28Å; L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 3.4Å; S204-Q207 PolarHBondContact O-N 2.86Å; Q207-M210 PolarHBondContact O-N 3.5Å; Q207-I211 VanDerWaalsContact O-CG1 3.3Å; Q207-I211 WeakPolarHBondContact O-CG1 3.26Å; Q207-I211 PolarHBondContact O-N 3.4Å; Q207-L222 HydrophobicContact CB-CD1 3.78Å; Q207-L222 HydrophobicContact CB-CD2 4.36Å
208A98.6Very high97.5Very high1 Ų143.1 Ų43.11%0.00821%0.21CC..Hα-helixtrans-58.7-49.117100000111.5S204 I206 M210 I211 N212 L222 H264S204-A208 VanDerWaalsContact O-CB 3.26Å; S204-A208 WeakPolarHBondContact O-CB 3.34Å; S204-A208 PolarHBondContact O-N 2.91Å; I206-A208 VanDerWaalsContact C-N 3.35Å; I206-A208 PolarHBondContact O-N 3.21Å; A208-M210 VanDerWaalsContact C-N 3.32Å; A208-M210 PolarHBondContact O-N 3.47Å; A208-I211 WeakPolarHBondContact O-CB 3.35Å; A208-I211 PolarHBondContact O-N 2.97Å; A208-I211 VanDerWaalsContact O-N 3.11Å; A208-N212 PolarHBondContact O-N 3.31Å; A208-L222 HydrophobicContact CB-CB 4.49Å; A208-L222 HydrophobicContact CB-CD2 4.42Å; A208-H264 VanDerWaalsContact C-NE2 3.31Å; A208-H264 WeakPolarHBondContact CA-NE2 3.28Å; A208-H264 WeakPolarHBondContact CB-NE2 3.42Å; A208-H264 PolarHBondContact O-NE2 3.31Å
209R98.2Very high97.4Very high63 Ų6347 Ų4724%0.23823%0.228CC..Hα-helixtrans-57.5-44.2175.2-171.6-178.766.4-124.8-6.5112.1N160 I162 R205 I206 I211 N212 E213N160-R209 PolarHBondContact O-NH1 3.3Å; I162-R209 PolarHBondContact O-NH1 3.01Å; I162-R209 PolarHBondContact O-NH2 3.28Å; R205-R209 PolarHBondContact O-N 3Å; R205-R209 VanDerWaalsContact O-N 3.14Å; I206-R209 WeakPolarHBondContact O-CB 3.49Å; I206-R209 PolarHBondContact O-N 3.08Å; I206-R209 VanDerWaalsContact O-N 3.16Å; R209-I211 VanDerWaalsContact C-N 3.32Å; R209-I211 PolarHBondContact O-N 3.25Å; R209-N212 WeakPolarHBondContact O-CB 3.42Å; R209-N212 PolarHBondContact O-N 2.94Å; R209-N212 VanDerWaalsContact O-N 3.16Å; R209-E213 WeakPolarHBondContact CG-OE1 3.43Å; R209-E213 IonicContact NE-OE1 2.86Å; R209-E213 WeakPolarHBondContact O-CG 3.39Å; R209-E213 PolarHBondContact O-N 3.47Å
210M97.9Very high97.4Very high59 Ų5947.3 Ų47.329%0.29123%0.23SC..Hα-helixtrans-63-35.9177-69.3174.266.300112.9I206 Q207 A208 E213 K214I206-M210 HydrophobicContact CG2-CG 4.42Å; I206-M210 HydrophobicContact CG2-SD 3.92Å; I206-M210 WeakPolarHBondContact O-CG 3.43Å; I206-M210 PolarHBondContact O-N 2.99Å; Q207-M210 PolarHBondContact O-N 3.5Å; A208-M210 VanDerWaalsContact C-N 3.32Å; A208-M210 PolarHBondContact O-N 3.47Å; M210-E213 PolarHBondContact O-N 3.01Å; M210-K214 WeakPolarHBondContact O-CB 3.45Å; M210-K214 WeakPolarHBondContact O-CG 3.46Å; M210-K214 PolarHBondContact O-N 2.89Å
211I97.8Very high97.3Very high17 Ų1747.7 Ų47.79%0.08723%0.232CC..Hα-helixtrans-63.9-44.4173.4-72.4162.6000110Q207 A208 R209 E213 K214 R215 K216 I220 L222Q207-I211 VanDerWaalsContact O-CG1 3.3Å; Q207-I211 WeakPolarHBondContact O-CG1 3.26Å; Q207-I211 PolarHBondContact O-N 3.4Å; A208-I211 WeakPolarHBondContact O-CB 3.35Å; A208-I211 PolarHBondContact O-N 2.97Å; A208-I211 VanDerWaalsContact O-N 3.11Å; R209-I211 VanDerWaalsContact C-N 3.32Å; R209-I211 PolarHBondContact O-N 3.25Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 3.31Å; I211-K214 PolarHBondContact O-N 3.36Å; I211-R215 HydrophobicContact CG2-CB 4.4Å; I211-R215 CarbonylContact O-C 3.56Å; I211-R215 VanDerWaalsContact O-C 3.22Å; I211-R215 VanDerWaalsContact O-CA 3.25Å; I211-R215 WeakPolarHBondContact O-CA 3.38Å; I211-R215 WeakPolarHBondContact O-CB 3.44Å; I211-R215 PolarHBondContact O-N 3.04Å; I211-K216 PolarHBondContact O-N 3.14Å; I211-I220 HydrophobicContact CD1-CG2 3.96Å; I211-I220 HydrophobicContact CG2-CB 3.94Å; I211-I220 HydrophobicContact CG2-CG2 4.3Å; I211-L222 HydrophobicContact CD1-CB 3.97Å; I211-L222 HydrophobicContact CD1-CD1 3.86Å
212N95.6Very high97.3Very high85 Ų8547.7 Ų47.746%0.45523%0.232SC..Hα-helixtrans-62.1-37.1175.6-78.2-18000113.1A208 R209 K216 H264A208-N212 PolarHBondContact O-N 3.31Å; R209-N212 WeakPolarHBondContact O-CB 3.42Å; R209-N212 PolarHBondContact O-N 2.94Å; R209-N212 VanDerWaalsContact O-N 3.16Å; N212-K216 WeakPolarHBondContact O-CB 3.39Å; N212-H264 PolarHBondContact ND2-CD2 3.32Å; N212-H264 PolarHBondContact ND2-NE2 3.33Å; N212-H264 PolarHBondContact OD1-NE2 3.35Å
213E96Very high97.3Very high127 Ų12747.7 Ų47.759%0.59323%0.232SC*.Hα-helixtrans-72.4-40.3179-71.8167-171.800112.3R209 M210 I211R209-E213 WeakPolarHBondContact CG-OE1 3.43Å; R209-E213 IonicContact NE-OE1 2.86Å; R209-E213 WeakPolarHBondContact O-CG 3.39Å; R209-E213 PolarHBondContact O-N 3.47Å; M210-E213 PolarHBondContact O-N 3.01Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 3.31Å
214K96.9Very high97.3Very high155 Ų15547.8 Ų47.867%0.67423%0.232SC*.Hα-helixtrans-105.3-22.1-168.6-60.8-178.6-177.9-176.20114.6M210 I211M210-K214 WeakPolarHBondContact O-CB 3.45Å; M210-K214 WeakPolarHBondContact O-CG 3.46Å; M210-K214 PolarHBondContact O-N 2.89Å; I211-K214 PolarHBondContact O-N 3.36Å
215R96.8Very high97.3Very high61 Ų6147.8 Ų47.823%0.2323%0.232CC..  trans-141.932.7-167.6-57.9-170.768.6-176.4-1.8112.4L125 V128 I211 G217 D218L125-R215 PolarHBondContact O-NH1 2.73Å; V128-R215 PolarHBondContact O-NH1 3.35Å; V128-R215 PolarHBondContact O-NH2 2.76Å; I211-R215 HydrophobicContact CG2-CB 4.4Å; I211-R215 CarbonylContact O-C 3.56Å; I211-R215 VanDerWaalsContact O-C 3.22Å; I211-R215 VanDerWaalsContact O-CA 3.25Å; I211-R215 WeakPolarHBondContact O-CA 3.38Å; I211-R215 WeakPolarHBondContact O-CB 3.44Å; I211-R215 PolarHBondContact O-N 3.04Å; R215-G217 PolarHBondContact O-N 3.37Å; R215-G217 VanDerWaalsContact O-N 3.13Å; R215-D218 HydrophobicContact CB-CB 4.26Å; R215-D218 IonicContact CZ-OD2 2.69Å; R215-D218 IonicContact NE-OD2 2.74Å; R215-D218 PolarHBondContact NE-OD2 3.45Å; R215-D218 IonicContact NH2-OD2 2.67Å; R215-D218 PolarHBondContact NH2-OD2 3.16Å; R215-D218 WeakPolarHBondContact O-CB 3.21Å; R215-D218 PolarHBondContact O-N 3.38Å
216K89.8Confident97.3Very high174 Ų17445.6 Ų45.676%0.75723%0.225SC*.G310 helixtrans-50.7-39.6-175.3-166.1177.6177.2-178.50114.2I211 N212 D218I211-K216 PolarHBondContact O-N 3.14Å; N212-K216 WeakPolarHBondContact O-CB 3.39Å; K216-D218 VanDerWaalsContact C-N 3.3Å; K216-D218 PolarHBondContact O-N 3.41Å
217G93.3Very high97.3Very high59 Ų5946 Ų4661%0.60823%0.228SC*.G310 helixtrans-78.9-7.6-178.700000114.8R215 H219R215-G217 PolarHBondContact O-N 3.37Å; R215-G217 VanDerWaalsContact O-N 3.13Å; G217-H219 VanDerWaalsContact C-N 3.33Å; G217-H219 PolarHBondContact O-CD2 3.18Å
218D96.9Very high97.3Very high45 Ų4547 Ų4724%0.24124%0.239CC..G310 helixtrans-86-4.5-175.5-70-6.8000112.6P130 Y131 R215 K216 I220P130-D218 CarbonylContact C-O 3.55Å; P130-D218 WeakPolarHBondContact CA-O 3.41Å; P130-D218 HydrophobicContact CB-CB 4.25Å; P130-D218 HydrophobicContact CG-CB 4.31Å; Y131-D218 PolarHBondContact N-O 3.46Å; R215-D218 HydrophobicContact CB-CB 4.26Å; R215-D218 IonicContact CZ-OD2 2.69Å; R215-D218 IonicContact NE-OD2 2.74Å; R215-D218 PolarHBondContact NE-OD2 3.45Å; R215-D218 IonicContact NH2-OD2 2.67Å; R215-D218 PolarHBondContact NH2-OD2 3.16Å; R215-D218 WeakPolarHBondContact O-CB 3.21Å; R215-D218 PolarHBondContact O-N 3.38Å; K216-D218 VanDerWaalsContact C-N 3.3Å; K216-D218 PolarHBondContact O-N 3.41Å; D218-I220 HydrophobicContact CB-CD1 3.94Å; D218-I220 HydrophobicContact CB-CG1 4.04Å; D218-I220 PolarHBondContact O-N 2.79Å; D218-I220 VanDerWaalsContact O-N 3.1Å
219H97Very high97.2Very high82 Ų8253.6 Ų53.638%0.3826%0.264SS..  trans51.835178.6-62.1-88.1000114.5Y131 R133 G217Y131-H219 HydrophobicContact CD1-CB 3.58Å; Y131-H219 HydrophobicContact CE1-CB 3.7Å; Y131-H219 AromaticContact CE1-CD2 3.65Å; Y131-H219 AromaticContact CE1-CG 3.74Å; Y131-H219 HydrophobicContact CG-CB 4.42Å; R133-H219 PolarHBondContact NH1-O 2.67Å; G217-H219 VanDerWaalsContact C-N 3.33Å; G217-H219 PolarHBondContact O-CD2 3.18Å
220I98.6Very high97.2Very high7 Ų750.8 Ų50.84%0.03625%0.254CS..  trans-81.8129.2177.7-64.7167.5000109.8V128 K129 G132 I211 D218 H264V128-I220 HydrophobicContact CB-CD1 4.31Å; V128-I220 HydrophobicContact CG1-CD1 3.89Å; V128-I220 HydrophobicContact CG1-CG1 4.12Å; V128-I220 HydrophobicContact CG1-CG2 3.99Å; K129-I220 WeakPolarHBondContact O-CG1 3.13Å; G132-I220 WeakPolarHBondContact O-CA 3.21Å; I211-I220 HydrophobicContact CD1-CG2 3.96Å; I211-I220 HydrophobicContact CG2-CB 3.94Å; I211-I220 HydrophobicContact CG2-CG2 4.3Å; D218-I220 HydrophobicContact CB-CD1 3.94Å; D218-I220 HydrophobicContact CB-CG1 4.04Å; D218-I220 PolarHBondContact O-N 2.79Å; D218-I220 VanDerWaalsContact O-N 3.1Å; I220-H264 PolarHBondContact O-CE1 2.77Å; I220-H264 PolarHBondContact O-ND1 2.93Å
221L98.8Very high97.2Very high9 Ų952.6 Ų52.65%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-107.9128.1176.1-58-178.6000110.9G132 R133 V134 L256 A260 H264G132-L221 PolarHBondContact O-N 3.47Å; R133-L221 CarbonylContact C-O 3.59Å; R133-L221 WeakPolarHBondContact CA-O 3.5Å; R133-L221 HydrophobicContact CG-CB 4.39Å; V134-L221 PolarHBondContact N-O 2.78Å; L221-L256 HydrophobicContact CB-CD1 4.45Å; L221-L256 HydrophobicContact CD1-CB 4.13Å; L221-L256 HydrophobicContact CD1-CD1 3.64Å; L221-A260 HydrophobicContact CD1-CB 4.1Å; L221-H264 HydrophobicContact CD2-CB 3.93Å
222L98.9Very high97.2Very high0 Ų053.1 Ų53.10%026%0.262CS..EExtended strand (participates in β ladder)trans-127.8126.5178-172.9156.6000110L125 V134 S204 Q207 A208 I211 H264 G265L125-L222 HydrophobicContact CD1-CD1 4.37Å; L125-L222 HydrophobicContact CD2-CD1 3.97Å; V134-L222 HydrophobicContact CB-CB 4.06Å; V134-L222 HydrophobicContact CB-CD1 3.81Å; V134-L222 HydrophobicContact CB-CG 3.72Å; V134-L222 HydrophobicContact CG1-CD1 3.71Å; V134-L222 HydrophobicContact CG1-CG 3.85Å; V134-L222 HydrophobicContact CG2-CD1 4.37Å; V134-L222 VanDerWaalsContact O-CA 3.3Å; V134-L222 WeakPolarHBondContact O-CA 3.45Å; S204-L222 VanDerWaalsContact O-CD2 3.24Å; S204-L222 WeakPolarHBondContact O-CD2 3.45Å; Q207-L222 HydrophobicContact CB-CD1 3.78Å; Q207-L222 HydrophobicContact CB-CD2 4.36Å; A208-L222 HydrophobicContact CB-CB 4.49Å; A208-L222 HydrophobicContact CB-CD2 4.42Å; I211-L222 HydrophobicContact CD1-CB 3.97Å; I211-L222 HydrophobicContact CD1-CD1 3.86Å; L222-H264 PolarHBondContact N-ND1 3.49Å; L222-G265 PolarHBondContact O-N 3.31Å
223N98.9Very high97.2Very high1 Ų154.3 Ų54.31%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-140.6153179.1-62.2-80.2000112.7V134 N136 L253 P263 H264 G265 Q266 L268V134-N223 PolarHBondContact O-N 3.48Å; N136-N223 PolarHBondContact N-O 3.05Å; N223-L253 HydrophobicContact CB-CD1 4.07Å; N223-L253 HydrophobicContact CB-CD2 4.06Å; N223-P263 PolarHBondContact ND2-O 3.11Å; N223-P263 VanDerWaalsContact OD1-C 3.29Å; N223-P263 PolarHBondContact OD1-O 3.27Å; N223-H264 WeakPolarHBondContact OD1-CA 3.42Å; N223-H264 PolarHBondContact OD1-N 3.12Å; N223-G265 PolarHBondContact OD1-N 3.25Å; N223-Q266 WeakPolarHBondContact OD1-CB 3.4Å; N223-Q266 PolarHBondContact OD1-N 3.39Å; N223-L268 HydrophobicContact CB-CD1 3.82Å
224A98.9Very high97.1Very high1 Ų152 Ų521%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-89.5150.7163.800000110.1N136 T201 Q266 F267 L268N136-A224 CarbonylContact O-C 3.5Å; N136-A224 VanDerWaalsContact O-CA 3.27Å; N136-A224 WeakPolarHBondContact O-CA 3.47Å; T201-A224 HydrophobicContact CG2-CB 4.43Å; A224-Q266 PolarHBondContact N-O 3.25Å; A224-F267 HydrophobicContact CB-CD2 3.92Å; A224-F267 CarbonylContact O-C 3.5Å; A224-F267 WeakPolarHBondContact O-CA 3.41Å; A224-L268 PolarHBondContact O-N 3.34Å
225C98.9Very high96.9Very high0 Ų046.3 Ų46.30%024%0.24CC..EExtended strand (participates in β ladder)trans-146161.5172.267.40000114.5N136 S138 T249 L253 L268N136-C225 PolarHBondContact O-N 2.97Å; S138-C225 CarbonylContact C-O 3.53Å; S138-C225 VanDerWaalsContact C-O 3.28Å; S138-C225 VanDerWaalsContact CA-O 3.3Å; S138-C225 WeakPolarHBondContact CA-O 3.44Å; S138-C225 PolarHBondContact N-O 3.25Å; C225-T249 HydrophobicContact CB-CG2 3.8Å; C225-L253 HydrophobicContact CB-CD1 3.58Å; C225-L268 CarbonylContact C-O 3.45Å; C225-L268 WeakPolarHBondContact CA-O 3.28Å; C225-L268 HydrophobicContact CB-CB 4.33Å; C225-L268 WeakPolarHBondContact CB-O 3.48Å
226C98.7Very high96.8Very high4 Ų444.3 Ų44.33%0.02724%0.238CC..EExtended strand (participates in β ladder)trans-107.6129.6166-177.90000109.7M140 G228 F267 L268M140-C226 HydrophobicContact CB-CB 4.45Å; M140-C226 HydrophobicContact CG-CB 3.76Å; M140-C226 VanDerWaalsContact CG-SG 3.59Å; M140-C226 PolarHBondContact N-SG 3.09Å; C226-G228 PolarHBondContact O-N 3.1Å; C226-G228 PolarHBondContact SG-N 3.26Å; C226-F267 HydrophobicContact CB-CE2 4.21Å; C226-F267 HydrophobicContact CB-CZ 3.95Å; C226-L268 PolarHBondContact N-O 3.4Å
227P98.3Very high97Very high10 Ų1041.5 Ų41.57%0.06524%0.238CC..  trans-76.6-10.7175.531.4-33.8000113I16 V137 V230 K241 G246I16-P227 HydrophobicContact CD1-CB 3.83Å; I16-P227 HydrophobicContact CD1-CG 3.61Å; I16-P227 HydrophobicContact CG2-CB 4.38Å; V137-P227 HydrophobicContact CG1-CG 4.05Å; P227-V230 HydrophobicContact CB-CG2 4.15Å; P227-K241 WeakPolarHBondContact O-CD 3.49Å; P227-K241 PolarHBondContact O-NZ 3.15Å; P227-G246 WeakPolarHBondContact CB-O 3.47Å
228G97.8Very high97.1Very high27 Ų2747.5 Ų47.528%0.27825%0.247SC..  trans89.9-168-169.100000111.8C226 V230C226-G228 PolarHBondContact O-N 3.1Å; C226-G228 PolarHBondContact SG-N 3.26Å; G228-V230 PolarHBondContact O-N 2.99Å
229W97.8Very high97.1Very high140 Ų14045.5 Ų45.553%0.5324%0.237SC..SBendtrans-91.8102.5179-167.129.8000110.1K238 A239 T240 K241W229-K238 HydrophobicContact CH2-CB 4.47Å; W229-A239 HydrophobicContact CD2-CB 3.87Å; W229-A239 HydrophobicContact CG-CB 3.81Å; W229-T240 HydrophobicContact CE3-CG2 4.06Å; W229-T240 HydrophobicContact CZ3-CG2 4.46Å; W229-T240 PolarHBondContact O-N 2.88Å; W229-T240 VanDerWaalsContact O-N 3.15Å; W229-T240 PolarHBondContact O-OG1 3.38Å; W229-K241 WeakPolarHBondContact O-CB 3.41Å; W229-K241 PolarHBondContact O-N 2.9Å
230V98.2Very high97.1Very high4 Ų446.3 Ų46.32%0.02425%0.248CC..BIsolated β-bridgetrans-112132.6-165.5-171.80000112.7I16 P227 G228 T232 A235 A239 K241 S242I16-V230 HydrophobicContact CD1-CB 3.96Å; I16-V230 HydrophobicContact CD1-CG1 4.33Å; I16-V230 HydrophobicContact CD1-CG2 3.84Å; I16-V230 HydrophobicContact CG1-CB 4.07Å; I16-V230 HydrophobicContact CG1-CG1 3.87Å; I16-V230 HydrophobicContact CG1-CG2 4.14Å; P227-V230 HydrophobicContact CB-CG2 4.15Å; G228-V230 PolarHBondContact O-N 2.99Å; V230-T232 HydrophobicContact CB-CG2 4.32Å; V230-T232 HydrophobicContact CG1-CG2 3.95Å; V230-T232 PolarHBondContact O-N 3.29Å; V230-T232 PolarHBondContact O-OG1 2.89Å; V230-A235 VanDerWaalsContact O-CB 3.24Å; V230-A235 WeakPolarHBondContact O-CB 3.32Å; V230-A239 VanDerWaalsContact C-CB 3.41Å; V230-K241 CarbonylContact C-O 3.59Å; V230-K241 WeakPolarHBondContact CA-O 3.49Å; V230-K241 HydrophobicContact CG2-CB 4.15Å; V230-S242 VanDerWaalsContact CG1-O 3.3Å; V230-S242 WeakPolarHBondContact CG1-O 3.34Å
231R98.3Very high97.1Very high97 Ų9747.5 Ų47.537%0.36625%0.253SS..THydrogen-bonded Turntrans-62.598.6175.2-67.5-176.1-67.3-79.73.6110.3P237 A239 T240 K241 S242 P243 E245R231-P237 WeakPolarHBondContact CD-O 3.39Å; R231-A239 WeakPolarHBondContact CD-O 3.2Å; R231-A239 HydrophobicContact CG-CB 3.92Å; R231-A239 WeakPolarHBondContact CG-O 3.35Å; R231-A239 PolarHBondContact NH1-O 3.45Å; R231-T240 PolarHBondContact NH1-O 2.82Å; R231-K241 WeakPolarHBondContact CB-O 3.45Å; R231-K241 WeakPolarHBondContact CG-O 3.42Å; R231-K241 VanDerWaalsContact CZ-C 3.45Å; R231-K241 PolarHBondContact N-O 2.85Å; R231-K241 VanDerWaalsContact NH1-C 3.3Å; R231-K241 PolarHBondContact NH1-O 3.41Å; R231-S242 VanDerWaalsContact NH2-N 3.11Å; R231-P243 WeakPolarHBondContact O-CG 3.08Å; R231-E245 IonicContact NH2-OE2 3.24Å
232T97.4Very high97.1Very high28 Ų2848.2 Ų48.217%0.17226%0.259CS..THydrogen-bonded Turntrans-145.6169.5-179.858.20000108.8I16 V230 M234 A235 G236I16-T232 HydrophobicContact CG1-CG2 4.1Å; V230-T232 HydrophobicContact CB-CG2 4.32Å; V230-T232 HydrophobicContact CG1-CG2 3.95Å; V230-T232 PolarHBondContact O-N 3.29Å; V230-T232 PolarHBondContact O-OG1 2.89Å; T232-M234 PolarHBondContact O-N 2.92Å; T232-M234 VanDerWaalsContact O-N 3.08Å; T232-M234 PolarHBondContact OG1-N 3.07Å; T232-A235 PolarHBondContact O-N 2.79Å; T232-A235 PolarHBondContact OG1-N 3.38Å; T232-G236 WeakPolarHBondContact O-CA 3.36Å; T232-G236 PolarHBondContact O-N 3.4Å
233D94.8Very high97.1Very high110 Ų11050 Ų5059%0.58827%0.27SS*.THydrogen-bonded Turntrans-54.2-28.6171.1-59.5-6000112.7K14 K95K14-D233 WeakPolarHBondContact CD-OD2 3.25Å; K14-D233 WeakPolarHBondContact CE-OD2 3.41Å; K14-D233 IonicContact NZ-OD2 3.71Å; K14-D233 PolarHBondContact NZ-OD2 2.94Å; K95-D233 PolarHBondContact NZ-O 3.5Å
234M93.4Very high97.1Very high77 Ų7753.4 Ų53.438%0.37929%0.289SS..THydrogen-bonded Turntrans-70.8-53.8179.2-173.2-177.6-72.300111.2G91 A93 K95 T232G91-M234 VanDerWaalsContact O-CE 3.25Å; G91-M234 WeakPolarHBondContact O-CE 3.05Å; A93-M234 HydrophobicContact CB-CG 4.02Å; A93-M234 HydrophobicContact CB-SD 4.11Å; K95-M234 PolarHBondContact NZ-O 3.48Å; T232-M234 PolarHBondContact O-N 2.92Å; T232-M234 VanDerWaalsContact O-N 3.08Å; T232-M234 PolarHBondContact OG1-N 3.07Å
235A93Very high97.1Very high37 Ų3757.2 Ų57.231%0.30631%0.306SS..THydrogen-bonded Turntrans-92.3-21.7-171.900000114.7V230 T232 A239V230-A235 VanDerWaalsContact O-CB 3.24Å; V230-A235 WeakPolarHBondContact O-CB 3.32Å; T232-A235 PolarHBondContact O-N 2.79Å; T232-A235 PolarHBondContact OG1-N 3.38Å; A235-A239 HydrophobicContact CB-CB 4.1Å
236G94.4Very high97Very high18 Ų1857.2 Ų57.219%0.18631%0.306CS..  trans84.2177.7-176.400000114.5T232 K238T232-G236 WeakPolarHBondContact O-CA 3.36Å; T232-G236 PolarHBondContact O-N 3.4Å; G236-K238 VanDerWaalsContact C-N 3.32Å; G236-K238 PolarHBondContact O-N 2.74Å
237P95.1Very high97.1Very high116 Ų11657.1 Ų57.175%0.75331%0.305SS*.THydrogen-bonded Turntrans-74-17.9-170.229.1-36.1000114.3R231 A239R231-P237 WeakPolarHBondContact CD-O 3.39Å; P237-A239 PolarHBondContact O-N 3.45Å
238K95.6Very high97.1Very high185 Ų18561.1 Ų61.180%0.80432%0.324SS*.THydrogen-bonded Turntrans-76.4-7-179.6-65.4-172.5178.4-177.20114W229 G236W229-K238 HydrophobicContact CH2-CB 4.47Å; G236-K238 VanDerWaalsContact C-N 3.32Å; G236-K238 PolarHBondContact O-N 2.74Å
239A96.6Very high97.1Very high3 Ų360 Ų603%0.02531%0.311CS..  trans-66.6148.9178.700000111.8W229 V230 R231 A235 P237W229-A239 HydrophobicContact CD2-CB 3.87Å; W229-A239 HydrophobicContact CG-CB 3.81Å; V230-A239 VanDerWaalsContact C-CB 3.41Å; R231-A239 WeakPolarHBondContact CD-O 3.2Å; R231-A239 HydrophobicContact CG-CB 3.92Å; R231-A239 WeakPolarHBondContact CG-O 3.35Å; R231-A239 PolarHBondContact NH1-O 3.45Å; A235-A239 HydrophobicContact CB-CB 4.1Å; P237-A239 PolarHBondContact O-N 3.45Å
240T97.4Very high97.2Very high99 Ų9953.3 Ų53.361%0.60729%0.286SS*.SBendtrans-78.7-30.7-167.452.10000113.8W229 R231W229-T240 HydrophobicContact CE3-CG2 4.06Å; W229-T240 HydrophobicContact CZ3-CG2 4.46Å; W229-T240 PolarHBondContact O-N 2.88Å; W229-T240 VanDerWaalsContact O-N 3.15Å; W229-T240 PolarHBondContact O-OG1 3.38Å; R231-T240 PolarHBondContact NH1-O 2.82Å
241K98.3Very high97.2Very high31 Ų3153.5 Ų53.514%0.13529%0.287CS..BIsolated β-bridgetrans-101148.1-177.7-67.2-172.2175.4-167.30113.3P227 W229 V230 R231 E245 N270P227-K241 WeakPolarHBondContact O-CD 3.49Å; P227-K241 PolarHBondContact O-NZ 3.15Å; W229-K241 WeakPolarHBondContact O-CB 3.41Å; W229-K241 PolarHBondContact O-N 2.9Å; V230-K241 CarbonylContact C-O 3.59Å; V230-K241 WeakPolarHBondContact CA-O 3.49Å; V230-K241 HydrophobicContact CG2-CB 4.15Å; R231-K241 WeakPolarHBondContact CB-O 3.45Å; R231-K241 WeakPolarHBondContact CG-O 3.42Å; R231-K241 VanDerWaalsContact CZ-C 3.45Å; R231-K241 PolarHBondContact N-O 2.85Å; R231-K241 VanDerWaalsContact NH1-C 3.3Å; R231-K241 PolarHBondContact NH1-O 3.41Å; K241-E245 HydrophobicContact CB-CB 3.94Å; K241-E245 HydrophobicContact CD-CB 4.17Å; K241-E245 HydrophobicContact CG-CB 4.14Å; K241-N270 PolarHBondContact NZ-OD1 2.82Å
242S98.6Very high97.2Very high25 Ų2552.8 Ų52.818%0.17529%0.285CS..  trans-73.1161162.562.70000110.8V230 R231 D244 E245 G246V230-S242 VanDerWaalsContact CG1-O 3.3Å; V230-S242 WeakPolarHBondContact CG1-O 3.34Å; R231-S242 VanDerWaalsContact NH2-N 3.11Å; S242-D244 PolarHBondContact O-N 3.27Å; S242-E245 VanDerWaalsContact CB-OE2 3.31Å; S242-E245 WeakPolarHBondContact CB-OE2 3.49Å; S242-E245 PolarHBondContact N-OE2 2.73Å; S242-E245 PolarHBondContact O-N 2.73Å; S242-E245 VanDerWaalsContact OG-CG 3.32Å; S242-E245 WeakPolarHBondContact OG-CG 3.18Å; S242-E245 PolarHBondContact OG-N 3.28Å; S242-E245 PolarHBondContact OG-OE2 3Å; S242-G246 PolarHBondContact O-N 2.98Å
243P98.6Very high97.3Very high37 Ų3751.6 Ų51.624%0.2428%0.277CS..Hα-helixtrans-50.9-38.2171.2-30.637.6000114.3A19 R231 G246 A247A19-P243 VanDerWaalsContact CB-C 3.5Å; A19-P243 HydrophobicContact CB-CB 3.84Å; A19-P243 VanDerWaalsContact CB-O 3.27Å; A19-P243 WeakPolarHBondContact CB-O 3.27Å; R231-P243 WeakPolarHBondContact O-CG 3.08Å; P243-G246 PolarHBondContact O-N 2.79Å; P243-A247 PolarHBondContact O-N 3.2Å
244D98.4Very high97.5Very high73 Ų7346.4 Ų46.439%0.3925%0.25SC..Hα-helixtrans-66.3-48.7177.8-68.5-52000112.4R22 S242 G246 A247 E248R22-D244 IonicContact CZ-OD1 2.71Å; R22-D244 VanDerWaalsContact CZ-OD1 3.24Å; R22-D244 IonicContact CZ-OD2 3.63Å; R22-D244 IonicContact NE-OD1 3.84Å; R22-D244 PolarHBondContact NE-OD1 3.4Å; R22-D244 IonicContact NH2-OD1 3.42Å; R22-D244 PolarHBondContact NH2-OD1 3.2Å; R22-D244 IonicContact NH2-OD2 3.4Å; R22-D244 PolarHBondContact NH2-OD2 3.07Å; S242-D244 PolarHBondContact O-N 3.27Å; D244-G246 PolarHBondContact O-N 3.3Å; D244-A247 WeakPolarHBondContact O-CB 3.44Å; D244-A247 PolarHBondContact O-N 3.26Å; D244-E248 PolarHBondContact O-N 3.41Å
245E98.7Very high97.8Very high80 Ų8045.2 Ų45.237%0.37425%0.245SC..Hα-helixtrans-61.2-30.2174.7-69.8164.9122.400111.6R231 K241 S242R231-E245 IonicContact NH2-OE2 3.24Å; K241-E245 HydrophobicContact CB-CB 3.94Å; K241-E245 HydrophobicContact CD-CB 4.17Å; K241-E245 HydrophobicContact CG-CB 4.14Å; S242-E245 VanDerWaalsContact CB-OE2 3.31Å; S242-E245 WeakPolarHBondContact CB-OE2 3.49Å; S242-E245 PolarHBondContact N-OE2 2.73Å; S242-E245 PolarHBondContact O-N 2.73Å; S242-E245 VanDerWaalsContact OG-CG 3.32Å; S242-E245 WeakPolarHBondContact OG-CG 3.18Å; S242-E245 PolarHBondContact OG-N 3.28Å; S242-E245 PolarHBondContact OG-OE2 3Å
246G98.6Very high98Very high0 Ų043.9 Ų43.90%023%0.232CC..Hα-helixtrans-70.5-31.6173.400000113.9P227 S242 P243 D244 E248 P250P227-G246 WeakPolarHBondContact CB-O 3.47Å; S242-G246 PolarHBondContact O-N 2.98Å; P243-G246 PolarHBondContact O-N 2.79Å; D244-G246 PolarHBondContact O-N 3.3Å; G246-E248 VanDerWaalsContact C-N 3.34Å; G246-P250 WeakPolarHBondContact O-CD 3.49Å
247A98.8Very high98.2Very high2 Ų246.7 Ų46.72%0.01725%0.247CC..Hα-helixtrans-77.5-17.8-179.500000113.2A19 I20 P243 D244 T249 P250 V251A19-A247 HydrophobicContact CB-CB 3.86Å; I20-A247 HydrophobicContact CG1-CB 3.7Å; P243-A247 PolarHBondContact O-N 3.2Å; D244-A247 WeakPolarHBondContact O-CB 3.44Å; D244-A247 PolarHBondContact O-N 3.26Å; A247-T249 PolarHBondContact O-N 3.16Å; A247-P250 VanDerWaalsContact O-CD 3.29Å; A247-P250 WeakPolarHBondContact O-CD 3.43Å; A247-V251 HydrophobicContact CB-CG2 4.29Å; A247-V251 WeakPolarHBondContact O-CB 3.31Å; A247-V251 WeakPolarHBondContact O-CG2 3.23Å; A247-V251 PolarHBondContact O-N 3.44Å
248E98.8Very high98Very high95 Ų9543.9 Ų43.944%0.44423%0.234SC..Hα-helixtrans-56.6-46.6-173-68.7179.3-165.400114.9D244 G246 Y252D244-E248 PolarHBondContact O-N 3.41Å; G246-E248 VanDerWaalsContact C-N 3.34Å; E248-Y252 WeakPolarHBondContact O-CB 3.29Å; E248-Y252 PolarHBondContact O-N 2.97Å
249T98.9Very high97.8Very high2 Ų241.7 Ų41.71%0.01223%0.231CC..Hα-helixtrans-72.2-45.7180-63.60000111.9C225 A247 V251 Y252 L253 L268 N270 K271C225-T249 HydrophobicContact CB-CG2 3.8Å; A247-T249 PolarHBondContact O-N 3.16Å; T249-V251 VanDerWaalsContact C-N 3.33Å; T249-V251 PolarHBondContact O-N 3.03Å; T249-Y252 PolarHBondContact O-N 3.44Å; T249-L253 HydrophobicContact CG2-CD1 4.3Å; T249-L253 WeakPolarHBondContact O-CG 3.26Å; T249-L253 PolarHBondContact O-N 3.26Å; T249-L268 HydrophobicContact CG2-CB 4.2Å; T249-N270 WeakPolarHBondContact OG1-CA 3.37Å; T249-N270 PolarHBondContact OG1-N 3.07Å; T249-K271 PolarHBondContact OG1-N 3.36Å; T249-K271 VanDerWaalsContact OG1-N 3.07Å
250P98.9Very high97.8Very high0 Ų042.5 Ų42.50%024%0.238CC..Hα-helixtrans-55.2-44.8172-27.532.7000113.9I20 V135 V137 G246 A247 L253 A254I20-P250 HydrophobicContact CD1-CB 3.54Å; I20-P250 HydrophobicContact CD1-CG 3.94Å; I20-P250 HydrophobicContact CG1-CB 4.01Å; V135-P250 HydrophobicContact CG1-CB 4.28Å; V137-P250 HydrophobicContact CG2-CG 4.37Å; G246-P250 WeakPolarHBondContact O-CD 3.49Å; A247-P250 VanDerWaalsContact O-CD 3.29Å; A247-P250 WeakPolarHBondContact O-CD 3.43Å; P250-L253 PolarHBondContact O-N 3.41Å; P250-A254 WeakPolarHBondContact O-CB 3.37Å; P250-A254 PolarHBondContact O-N 2.91Å
251V98.9Very high97.5Very high8 Ų845 Ų455%0.04825%0.247CC..Hα-helixtrans-68.1-41.6179.5173.40000111.2I20 A23 A247 T249 L253 A254 L255I20-V251 HydrophobicContact CB-CG2 4.44Å; I20-V251 HydrophobicContact CG1-CG2 4.38Å; I20-V251 HydrophobicContact CG2-CG2 4.16Å; A23-V251 HydrophobicContact CB-CG1 4.2Å; A23-V251 HydrophobicContact CB-CG2 3.63Å; A247-V251 HydrophobicContact CB-CG2 4.29Å; A247-V251 WeakPolarHBondContact O-CB 3.31Å; A247-V251 WeakPolarHBondContact O-CG2 3.23Å; A247-V251 PolarHBondContact O-N 3.44Å; T249-V251 VanDerWaalsContact C-N 3.33Å; T249-V251 PolarHBondContact O-N 3.03Å; V251-L253 VanDerWaalsContact C-N 3.29Å; V251-L253 PolarHBondContact O-N 3.41Å; V251-A254 PolarHBondContact O-N 3.21Å; V251-L255 HydrophobicContact CG1-CD1 3.7Å; V251-L255 HydrophobicContact CG1-CG 4.31Å; V251-L255 WeakPolarHBondContact O-CB 3.39Å; V251-L255 WeakPolarHBondContact O-CG 3.45Å; V251-L255 PolarHBondContact O-N 3.25Å
252Y98.9Very high97.5Very high83 Ų8344.9 Ų44.933%0.32526%0.255SS..Hα-helixtrans-54.1-45.9172.9161.4-104.2000112E248 T249 L255 L256 L268 K271E248-Y252 WeakPolarHBondContact O-CB 3.29Å; E248-Y252 PolarHBondContact O-N 2.97Å; T249-Y252 PolarHBondContact O-N 3.44Å; Y252-L255 PolarHBondContact O-N 2.87Å; Y252-L256 HydrophobicContact CE1-CD2 4.21Å; Y252-L256 HydrophobicContact CE2-CD2 3.87Å; Y252-L256 PolarHBondContact O-N 3.07Å; Y252-L268 HydrophobicContact CE1-CD2 4.15Å; Y252-K271 HydrophobicContact CD1-CB 3.88Å; Y252-K271 HydrophobicContact CD1-CD 4.44Å; Y252-K271 HydrophobicContact CD1-CG 3.83Å; Y252-K271 HydrophobicContact CD2-CD 4.15Å; Y252-K271 HydrophobicContact CD2-CG 4.42Å; Y252-K271 HydrophobicContact CE1-CB 4.02Å; Y252-K271 HydrophobicContact CE1-CG 4.46Å; Y252-K271 HydrophobicContact CG-CB 4.23Å; Y252-K271 HydrophobicContact CG-CD 3.94Å; Y252-K271 HydrophobicContact CG-CG 3.81Å
253L98.9Very high97.4Very high2 Ų244.6 Ų44.61%0.0125%0.253CS..Hα-helixtrans-69.8-35.8178.6-72171.8000113R133 V135 N223 C225 T249 P250 V251 L255 L256 P263 L268R133-L253 WeakPolarHBondContact CG-O 3.33Å; V135-L253 HydrophobicContact CG1-CB 4.21Å; V135-L253 HydrophobicContact CG1-CD1 4.15Å; V135-L253 HydrophobicContact CG2-CB 3.62Å; N223-L253 HydrophobicContact CB-CD1 4.07Å; N223-L253 HydrophobicContact CB-CD2 4.06Å; C225-L253 HydrophobicContact CB-CD1 3.58Å; T249-L253 HydrophobicContact CG2-CD1 4.3Å; T249-L253 WeakPolarHBondContact O-CG 3.26Å; T249-L253 PolarHBondContact O-N 3.26Å; P250-L253 PolarHBondContact O-N 3.41Å; V251-L253 VanDerWaalsContact C-N 3.29Å; V251-L253 PolarHBondContact O-N 3.41Å; L253-L255 VanDerWaalsContact C-N 3.26Å; L253-L255 PolarHBondContact O-N 3.32Å; L253-L256 HydrophobicContact CD2-CD1 4.1Å; L253-P263 HydrophobicContact CD2-CG 3.68Å; L253-L268 HydrophobicContact CD1-CB 4.38Å; L253-L268 HydrophobicContact CD1-CD1 4.17Å; L253-L268 HydrophobicContact CD2-CD1 3.91Å; L253-L268 HydrophobicContact CD2-CD2 3.98Å; L253-L268 HydrophobicContact CD2-CG 4.47Å
254A98.9Very high97.4Very high2 Ų244.3 Ų44.32%0.01725%0.248CC..Hα-helixtrans-67.7-27.6177.800000112.9L24 V85 V87 R133 V135 P250 V251L24-A254 HydrophobicContact CD2-CB 4.18Å; V85-A254 HydrophobicContact CG1-CB 3.73Å; V85-A254 WeakPolarHBondContact CG2-O 3.24Å; V87-A254 HydrophobicContact CG2-CB 4.25Å; R133-A254 WeakPolarHBondContact CB-O 3.25Å; V135-A254 HydrophobicContact CG2-CB 4.09Å; P250-A254 WeakPolarHBondContact O-CB 3.37Å; P250-A254 PolarHBondContact O-N 2.91Å; V251-A254 PolarHBondContact O-N 3.21Å
255L98.8Very high97.4Very high51 Ų5141.3 Ų41.327%0.26723%0.234SC..THydrogen-bonded Turntrans-112.820.7-174.5-58.8-179.5000113.1L24 Q27 F28 V251 Y252 L253L24-L255 HydrophobicContact CD2-CD1 4.29Å; L24-L255 HydrophobicContact CD2-CD2 3.89Å; L24-L255 HydrophobicContact CD2-CG 4.06Å; Q27-L255 HydrophobicContact CB-CD1 3.59Å; Q27-L255 HydrophobicContact CG-CD1 4.47Å; F28-L255 HydrophobicContact CB-CD2 4.15Å; F28-L255 HydrophobicContact CD2-CD2 3.86Å; V251-L255 HydrophobicContact CG1-CD1 3.7Å; V251-L255 HydrophobicContact CG1-CG 4.31Å; V251-L255 WeakPolarHBondContact O-CB 3.39Å; V251-L255 WeakPolarHBondContact O-CG 3.45Å; V251-L255 PolarHBondContact O-N 3.25Å; Y252-L255 PolarHBondContact O-N 2.87Å; L253-L255 VanDerWaalsContact C-N 3.26Å; L253-L255 PolarHBondContact O-N 3.32Å
256L98.6Very high97.4Very high10 Ų1041.1 Ų41.15%0.05223%0.234CC..  trans-53.3132.6173.1-73.5171.1000109.7R133 L221 Y252 L253 A260 P263R133-L256 HydrophobicContact CG-CB 4.26Å; R133-L256 PolarHBondContact NE-O 3.05Å; L221-L256 HydrophobicContact CB-CD1 4.45Å; L221-L256 HydrophobicContact CD1-CB 4.13Å; L221-L256 HydrophobicContact CD1-CD1 3.64Å; Y252-L256 HydrophobicContact CE1-CD2 4.21Å; Y252-L256 HydrophobicContact CE2-CD2 3.87Å; Y252-L256 PolarHBondContact O-N 3.07Å; L253-L256 HydrophobicContact CD2-CD1 4.1Å; L256-A260 HydrophobicContact CB-CB 4.39Å; L256-P263 HydrophobicContact CD1-CG 4.1Å
257P97.3Very high97.4Very high77 Ų7741.3 Ų41.350%0.524%0.235SC..  trans-52.1150.4-179.9-29.136.4000112.8R133 D259 A260R133-P257 PolarHBondContact NH2-O 3.11Å; P257-D259 WeakPolarHBondContact CB-OD1 3.13Å; P257-D259 PolarHBondContact O-N 2.82Å; P257-A260 HydrophobicContact CB-CB 4.49Å; P257-A260 WeakPolarHBondContact O-CB 3.36Å; P257-A260 PolarHBondContact O-N 3.44Å
258A92.2Very high97.4Very high57 Ų5741.3 Ų41.347%0.47123%0.234SC..THydrogen-bonded Turntrans-63.2-30.3-17600000113.1Y131 A260Y131-A258 HydrophobicContact CD1-CB 4.07Å; Y131-A258 WeakPolarHBondContact CD1-O 3.43Å; Y131-A258 HydrophobicContact CG-CB 4.42Å; A258-A260 VanDerWaalsContact C-N 3.29Å
259D91.2Very high97.4Very high139 Ų13937.2 Ų37.274%0.74322%0.216SC*.THydrogen-bonded Turntrans-82.92.4175.463.3-28.6000113.7P257 D261P257-D259 WeakPolarHBondContact CB-OD1 3.13Å; P257-D259 PolarHBondContact O-N 2.82Å; D259-D261 PolarHBondContact O-N 3.4Å
260A95.8Very high97.3Very high20 Ų2041.1 Ų41.117%0.16524%0.237CC..  trans-72.1126.4177.900000111.8L221 L256 P257 A258 G262L221-A260 HydrophobicContact CD1-CB 4.1Å; L256-A260 HydrophobicContact CB-CB 4.39Å; P257-A260 HydrophobicContact CB-CB 4.49Å; P257-A260 WeakPolarHBondContact O-CB 3.36Å; P257-A260 PolarHBondContact O-N 3.44Å; A258-A260 VanDerWaalsContact C-N 3.29Å; A260-G262 VanDerWaalsContact C-N 3.3Å
261D92.3Very high97.3Very high150 Ų15046 Ų4680%0.80226%0.258SS*.  trans-82.4-7.4172.1-68-42.2000113.2D259D259-D261 PolarHBondContact O-N 3.4Å
262G96.4Very high97.3Very high30 Ų3049 Ų4931%0.30928%0.277SS..  trans-177.9-179.6179.100000113.7A260A260-G262 VanDerWaalsContact C-N 3.3Å
263P98.2Very high97.2Very high19 Ų1948.5 Ų48.512%0.12328%0.282CS..  cis-66.4151.41.629.7-39.2000113.3N223 L253 L256 Q266 L268 V273N223-P263 PolarHBondContact ND2-O 3.11Å; N223-P263 VanDerWaalsContact OD1-C 3.29Å; N223-P263 PolarHBondContact OD1-O 3.27Å; L253-P263 HydrophobicContact CD2-CG 3.68Å; L256-P263 HydrophobicContact CD1-CG 4.1Å; P263-Q266 HydrophobicContact CB-CB 4.06Å; P263-Q266 HydrophobicContact CB-CG 3.77Å; P263-L268 HydrophobicContact CB-CD1 4.14Å; P263-L268 HydrophobicContact CB-CD2 4.43Å; P263-L268 HydrophobicContact CG-CD1 4.04Å; P263-L268 HydrophobicContact CG-CD2 3.88Å; P263-V273 HydrophobicContact CB-CG2 4.4Å
264H98.5Very high97.2Very high30 Ų3052.9 Ų52.914%0.13930%0.298CS..  trans-142.3130.7174.8-175.683.7000110.2A208 N212 I220 L221 L222 N223 Q266A208-H264 VanDerWaalsContact C-NE2 3.31Å; A208-H264 WeakPolarHBondContact CA-NE2 3.28Å; A208-H264 WeakPolarHBondContact CB-NE2 3.42Å; A208-H264 PolarHBondContact O-NE2 3.31Å; N212-H264 PolarHBondContact ND2-CD2 3.32Å; N212-H264 PolarHBondContact ND2-NE2 3.33Å; N212-H264 PolarHBondContact OD1-NE2 3.35Å; I220-H264 PolarHBondContact O-CE1 2.77Å; I220-H264 PolarHBondContact O-ND1 2.93Å; L221-H264 HydrophobicContact CD2-CB 3.93Å; L222-H264 PolarHBondContact N-ND1 3.49Å; N223-H264 WeakPolarHBondContact OD1-CA 3.42Å; N223-H264 PolarHBondContact OD1-N 3.12Å; H264-Q266 WeakPolarHBondContact O-CG 3.29Å; H264-Q266 PolarHBondContact O-N 2.98Å; H264-Q266 PolarHBondContact O-NE2 2.9Å
265G98.4Very high96.9Very high10 Ų1059.1 Ų59.110%0.10334%0.337CS..SBendtrans66.318.8-176.800000114.2L222 N223L222-G265 PolarHBondContact O-N 3.31Å; N223-G265 PolarHBondContact OD1-N 3.25Å
266Q98.6Very high96.7Very high76 Ų7658.5 Ų58.536%0.35533%0.331SS..  trans-97.1162-175.5-56.2-54.5-44.800112N223 A224 P263 H264 L268 V273N223-Q266 WeakPolarHBondContact OD1-CB 3.4Å; N223-Q266 PolarHBondContact OD1-N 3.39Å; A224-Q266 PolarHBondContact N-O 3.25Å; P263-Q266 HydrophobicContact CB-CB 4.06Å; P263-Q266 HydrophobicContact CB-CG 3.77Å; H264-Q266 WeakPolarHBondContact O-CG 3.29Å; H264-Q266 PolarHBondContact O-N 2.98Å; H264-Q266 PolarHBondContact O-NE2 2.9Å; Q266-L268 HydrophobicContact CB-CD1 3.72Å; Q266-V273 HydrophobicContact CB-CG1 4.22Å; Q266-V273 HydrophobicContact CB-CG2 4.25Å; Q266-V273 HydrophobicContact CG-CG1 4.32Å; Q266-V273 HydrophobicContact CG-CG2 4.2Å
267F98.7Very high96.6Very high5 Ų561 Ų612%0.02235%0.345CS..EExtended strand (participates in β ladder)trans-105.5123.4164.6177.6-121.6000109.4M140 T201 A224 C226 R274M140-F267 HydrophobicContact SD-CE1 3.6Å; M140-F267 VanDerWaalsContact SD-CE1 3.6Å; M140-F267 HydrophobicContact SD-CZ 3.91Å; T201-F267 HydrophobicContact CG2-CB 4.13Å; T201-F267 HydrophobicContact CG2-CD2 4.31Å; T201-F267 HydrophobicContact CG2-CG 4.27Å; A224-F267 HydrophobicContact CB-CD2 3.92Å; A224-F267 CarbonylContact O-C 3.5Å; A224-F267 WeakPolarHBondContact O-CA 3.41Å; C226-F267 HydrophobicContact CB-CE2 4.21Å; C226-F267 HydrophobicContact CB-CZ 3.95Å; F267-R274 HydrophobicContact CD1-CB 3.82Å; F267-R274 HydrophobicContact CD1-CG 4.47Å; F267-R274 HydrophobicContact CE1-CB 4.29Å; F267-R274 PolarHBondContact O-N 3.03Å
268L98.6Very high96.6Very high1 Ų160.1 Ų60.11%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-117.3148.4-175.9-69.593.7000113.7N223 A224 C225 C226 T249 Y252 L253 P263 Q266 T272 V273N223-L268 HydrophobicContact CB-CD1 3.82Å; A224-L268 PolarHBondContact O-N 3.34Å; C225-L268 CarbonylContact C-O 3.45Å; C225-L268 WeakPolarHBondContact CA-O 3.28Å; C225-L268 HydrophobicContact CB-CB 4.33Å; C225-L268 WeakPolarHBondContact CB-O 3.48Å; C226-L268 PolarHBondContact N-O 3.4Å; T249-L268 HydrophobicContact CG2-CB 4.2Å; Y252-L268 HydrophobicContact CE1-CD2 4.15Å; L253-L268 HydrophobicContact CD1-CB 4.38Å; L253-L268 HydrophobicContact CD1-CD1 4.17Å; L253-L268 HydrophobicContact CD2-CD1 3.91Å; L253-L268 HydrophobicContact CD2-CD2 3.98Å; L253-L268 HydrophobicContact CD2-CG 4.47Å; P263-L268 HydrophobicContact CB-CD1 4.14Å; P263-L268 HydrophobicContact CB-CD2 4.43Å; P263-L268 HydrophobicContact CG-CD1 4.04Å; P263-L268 HydrophobicContact CG-CD2 3.88Å; Q266-L268 HydrophobicContact CB-CD1 3.72Å; L268-T272 CarbonylContact C-O 3.51Å; L268-T272 VanDerWaalsContact CA-O 3.28Å; L268-T272 WeakPolarHBondContact CA-O 3.19Å; L268-V273 HydrophobicContact CD2-CG2 4.36Å; L268-V273 HydrophobicContact CG-CG2 4.34Å
269S98.3Very high96.8Very high9 Ų960.3 Ų60.36%0.06333%0.329CS..EExtended strand (participates in β ladder)trans-147.5128.5169.4177.90000109.8T272 R274S269-T272 PolarHBondContact N-O 3.48Å; S269-T272 PolarHBondContact O-N 2.92Å; S269-R274 PolarHBondContact O-NE 2.71Å; S269-R274 PolarHBondContact O-NH2 3.49Å; S269-R274 VanDerWaalsContact O-NH2 3.09Å
270N97.4Very high97.2Very high85 Ų8555.6 Ų55.646%0.45531%0.305SS..THydrogen-bonded Turntrans55.547.2-171.2-58.1-36.8000112.3K241 T249 T272K241-N270 PolarHBondContact NZ-OD1 2.82Å; T249-N270 WeakPolarHBondContact OG1-CA 3.37Å; T249-N270 PolarHBondContact OG1-N 3.07Å; N270-T272 PolarHBondContact O-N 3.09Å; N270-T272 PolarHBondContact O-OG1 2.97Å
271K98.3Very high97.2Very high102 Ų10257.9 Ų57.944%0.44331%0.313SS..THydrogen-bonded Turntrans58.711.8-177.7-48.5178.2-173.2173.60114.8T249 Y252T249-K271 PolarHBondContact OG1-N 3.36Å; T249-K271 VanDerWaalsContact OG1-N 3.07Å; Y252-K271 HydrophobicContact CD1-CB 3.88Å; Y252-K271 HydrophobicContact CD1-CD 4.44Å; Y252-K271 HydrophobicContact CD1-CG 3.83Å; Y252-K271 HydrophobicContact CD2-CD 4.15Å; Y252-K271 HydrophobicContact CD2-CG 4.42Å; Y252-K271 HydrophobicContact CE1-CB 4.02Å; Y252-K271 HydrophobicContact CE1-CG 4.46Å; Y252-K271 HydrophobicContact CG-CB 4.23Å; Y252-K271 HydrophobicContact CG-CD 3.94Å; Y252-K271 HydrophobicContact CG-CG 3.81Å
272T98.2Very high97.6Very high72 Ų7251.7 Ų51.744%0.44228%0.281SS..EExtended strand (participates in β ladder)trans-111.7137.8177.7-43.70000110.3L268 S269 N270L268-T272 CarbonylContact C-O 3.51Å; L268-T272 VanDerWaalsContact CA-O 3.28Å; L268-T272 WeakPolarHBondContact CA-O 3.19Å; S269-T272 PolarHBondContact N-O 3.48Å; S269-T272 PolarHBondContact O-N 2.92Å; N270-T272 PolarHBondContact O-N 3.09Å; N270-T272 PolarHBondContact O-OG1 2.97Å
273V98.3Very high97.6Very high71 Ų7153.3 Ų53.343%0.4328%0.279SS..EExtended strand (participates in β ladder)trans-62.1135.8170.9179.10000109.8P263 Q266 L268P263-V273 HydrophobicContact CB-CG2 4.4Å; Q266-V273 HydrophobicContact CB-CG1 4.22Å; Q266-V273 HydrophobicContact CB-CG2 4.25Å; Q266-V273 HydrophobicContact CG-CG1 4.32Å; Q266-V273 HydrophobicContact CG-CG2 4.2Å; L268-V273 HydrophobicContact CD2-CG2 4.36Å; L268-V273 HydrophobicContact CG-CG2 4.34Å
274R97.6Very high97.6Very high94 Ų9455.9 Ų55.936%0.35529%0.291SS..EExtended strand (participates in β ladder)trans-115.1137.4175.4-58.6-60.9172.5179.8-4.2108.7M140 F267 S269 W276M140-R274 HydrophobicContact SD-CG 4.34Å; F267-R274 HydrophobicContact CD1-CB 3.82Å; F267-R274 HydrophobicContact CD1-CG 4.47Å; F267-R274 HydrophobicContact CE1-CB 4.29Å; F267-R274 PolarHBondContact O-N 3.03Å; S269-R274 PolarHBondContact O-NE 2.71Å; S269-R274 PolarHBondContact O-NH2 3.49Å; S269-R274 VanDerWaalsContact O-NH2 3.09Å; R274-W276 PolarHBondContact O-N 2.83Å
275T94.4Very high97.5Very high134 Ų13458.1 Ų58.182%0.82230%0.303SS*.  trans-61.8133.8173.1-47.80000109.6
276W93.8Very high97.4Very high38 Ų3862.5 Ų62.514%0.14432%0.321CS..  trans-102.80173.8-177.4-109.9000109.2S142 L146 F157 R158 I198 T201 V202 R274S142-W276 WeakPolarHBondContact OG-CZ3 3.45Å; L146-W276 HydrophobicContact CB-CH2 4.25Å; L146-W276 HydrophobicContact CD2-CD2 4.02Å; L146-W276 HydrophobicContact CD2-CE3 4.22Å; L146-W276 HydrophobicContact CD2-CH2 3.92Å; L146-W276 HydrophobicContact CD2-CZ2 3.71Å; L146-W276 HydrophobicContact CD2-CZ3 4.18Å; F157-W276 PolarHBondContact O-NE1 2.99Å; R158-W276 PolarHBondContact NE-O 3.32Å; I198-W276 HydrophobicContact CB-CH2 4.41Å; I198-W276 HydrophobicContact CG1-CH2 4.21Å; I198-W276 HydrophobicContact CG2-CH2 4.32Å; I198-W276 HydrophobicContact CG2-CZ2 4.08Å; T201-W276 HydrophobicContact CG2-CD2 3.67Å; T201-W276 HydrophobicContact CG2-CE3 3.6Å; T201-W276 HydrophobicContact CG2-CG 4.39Å; T201-W276 HydrophobicContact CG2-CH2 3.89Å; T201-W276 HydrophobicContact CG2-CZ2 3.93Å; T201-W276 HydrophobicContact CG2-CZ3 3.72Å; V202-W276 HydrophobicContact CG2-CZ2 3.7Å; R274-W276 PolarHBondContact O-N 2.83Å

Retrieved 276 of 276 residues in 147.5 ms (Link to these results)

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