G4LY79_SCHMA Loading...

Nucleoside diphosphate kinase

AlphaFold DB , UniProt , Accession G4LY79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 149 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
1M49.9Very low88.7Confident240 Ų24049.4 Ų49.4100%1.18225%0.248SC*.  0129.70-80.9172.4179.400108M3M1-M3 PolarHBondContact O-N 2.89Å
2S66Low89.5Confident72 Ų7245.7 Ų45.750%0.50323%0.229SC..PPolyproline II helixtrans-71.1117.4168.453.20000108.4
3M81.9Confident90.2Very high120 Ų12042.2 Ų42.259%0.59121%0.212SC*.PPolyproline II helixtrans-93132.2173.5-168.5174.6-76.500108.2M1 Q5 N83M1-M3 PolarHBondContact O-N 2.89Å; M3-Q5 PolarHBondContact O-N 3.37Å; M3-N83 PolarHBondContact O-N 3.46Å; M3-N83 VanDerWaalsContact O-N 3.15Å
4R90.8Very high90.8Very high77 Ų7740.9 Ų40.929%0.29121%0.206SC..EExtended strand (participates in β ladder)trans-61.7126.1169-171.3175.5-172119.611107.7I146 L147 N149R4-I146 WeakPolarHBondContact CD-O 3.2Å; R4-I146 PolarHBondContact NE-O 3.44Å; R4-I146 VanDerWaalsContact NE-O 3.1Å; R4-L147 WeakPolarHBondContact O-CD2 3.07Å; R4-N149 WeakPolarHBondContact CD-OXT 3.37Å; R4-N149 VanDerWaalsContact CZ-OXT 3.25Å; R4-N149 PolarHBondContact NE-OXT 3.04Å; R4-N149 PolarHBondContact NH1-OXT 2.85Å
5Q96.4Very high91.3Very high33 Ų3338.2 Ų38.215%0.15419%0.192CC..EExtended strand (participates in β ladder)trans-125.4158.3177.7-71.3-177.6-24.600109.3M3 A80 G81 A84M3-Q5 PolarHBondContact O-N 3.37Å; Q5-A80 WeakPolarHBondContact O-CA 3.24Å; Q5-G81 PolarHBondContact N-O 2.97Å; Q5-G81 PolarHBondContact O-N 2.9Å; Q5-A84 HydrophobicContact CB-CB 4.01Å; Q5-A84 WeakPolarHBondContact O-CB 3.4Å
6I97.3Very high91.8Very high1 Ų136.2 Ų36.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-115.1151.9162.864.6178.7000109.8I78 L79 A80 A130 F131 I134 F141 C143 I146 L147I6-I78 HydrophobicContact CB-CG2 4.4Å; I6-L79 CarbonylContact C-O 3.59Å; I6-L79 WeakPolarHBondContact CA-O 3.33Å; I6-A80 HydrophobicContact CG2-CB 3.9Å; I6-A130 WeakPolarHBondContact O-CB 3.18Å; I6-F131 HydrophobicContact CD1-CD1 3.93Å; I6-F131 HydrophobicContact CD1-CE1 3.67Å; I6-F131 HydrophobicContact CG1-CD1 4.09Å; I6-F131 HydrophobicContact CG1-CE1 3.71Å; I6-I134 HydrophobicContact CB-CD1 4.36Å; I6-I134 HydrophobicContact CD1-CD1 3.65Å; I6-I134 HydrophobicContact CG1-CD1 3.85Å; I6-F141 HydrophobicContact CD1-CE1 4.5Å; I6-C143 HydrophobicContact CD1-CB 3.57Å; I6-I146 HydrophobicContact CG2-CB 4.25Å; I6-I146 HydrophobicContact CG2-CG2 3.7Å; I6-L147 HydrophobicContact CG2-CD2 4.04Å
7T98.3Very high92.1Very high0 Ų042.1 Ų42.10%020%0.201CC..EExtended strand (participates in β ladder)trans-141.7151.9176-169.60000110.6L79 A84 W88T7-L79 HydrophobicContact CG2-CB 3.94Å; T7-L79 HydrophobicContact CG2-CD1 4.44Å; T7-L79 PolarHBondContact N-O 3.3Å; T7-L79 PolarHBondContact O-N 2.9Å; T7-A84 HydrophobicContact CG2-CB 4.15Å; T7-W88 HydrophobicContact CG2-CB 3.97Å; T7-W88 HydrophobicContact CG2-CG 4.31Å
8L98.7Very high92.5Very high0 Ų045.1 Ų45.10%021%0.214CC..EExtended strand (participates in β ladder)trans-84.7128.4167.7-16877000109.2I10 V76 G123 S124 E133 I134 F137 F138L8-I10 HydrophobicContact CD2-CD1 3.86Å; L8-I10 HydrophobicContact CD2-CG1 3.88Å; L8-I10 HydrophobicContact CG-CG1 4.19Å; L8-V76 HydrophobicContact CD1-CG1 3.61Å; L8-V76 HydrophobicContact CG-CG1 4.37Å; L8-G123 WeakPolarHBondContact O-CA 3.46Å; L8-S124 WeakPolarHBondContact CB-OG 2.95Å; L8-S124 PolarHBondContact N-OG 2.71Å; L8-S124 PolarHBondContact O-N 2.78Å; L8-E133 HydrophobicContact CB-CB 4.22Å; L8-E133 HydrophobicContact CD2-CB 3.67Å; L8-I134 HydrophobicContact CB-CG1 4.12Å; L8-I134 HydrophobicContact CD1-CG1 3.98Å; L8-F137 HydrophobicContact CD1-CD2 4.29Å; L8-F137 HydrophobicContact CD2-CD2 3.49Å; L8-F137 VanDerWaalsContact CD2-CD2 3.49Å; L8-F137 HydrophobicContact CD2-CE2 3.59Å; L8-F138 HydrophobicContact CD1-CE2 4.41Å
9A98.9Very high92.8Very high0 Ų047.2 Ų47.20%023%0.225CC..EExtended strand (participates in β ladder)trans-114.1131.1167.200000109.4M29 Y77 L79 W88A9-M29 HydrophobicContact CB-CE 4.12Å; A9-Y77 PolarHBondContact N-O 3.15Å; A9-Y77 PolarHBondContact O-N 3.29Å; A9-L79 HydrophobicContact CB-CD1 3.7Å; A9-L79 HydrophobicContact CB-CG 4.03Å; A9-W88 HydrophobicContact CB-CD2 4.13Å; A9-W88 HydrophobicContact CB-CG 4.49Å; A9-W88 HydrophobicContact CB-CH2 4.41Å; A9-W88 HydrophobicContact CB-CZ2 3.56Å; A9-W88 VanDerWaalsContact CB-NE1 3.35Å
10I98.9Very high93Very high0 Ų050.7 Ų50.70%025%0.246CC..EExtended strand (participates in β ladder)trans-119.9126.1172.6-47.2173.8000109.3L8 F52 M69 L74 G75 V76 F121 H122 F137L8-I10 HydrophobicContact CD2-CD1 3.86Å; L8-I10 HydrophobicContact CD2-CG1 3.88Å; L8-I10 HydrophobicContact CG-CG1 4.19Å; I10-F52 HydrophobicContact CD1-CE1 4.26Å; I10-F52 HydrophobicContact CD1-CE2 4.41Å; I10-F52 HydrophobicContact CD1-CZ 3.81Å; I10-M69 HydrophobicContact CD1-CE 3.93Å; I10-M69 HydrophobicContact CG2-CE 4.22Å; I10-L74 HydrophobicContact CG2-CB 4.07Å; I10-L74 HydrophobicContact CG2-CD1 4.46Å; I10-L74 HydrophobicContact CG2-CD2 4.27Å; I10-G75 CarbonylContact C-O 3.53Å; I10-G75 VanDerWaalsContact CA-O 3.29Å; I10-G75 WeakPolarHBondContact CA-O 3.46Å; I10-V76 HydrophobicContact CG2-CG2 4.27Å; I10-F121 CarbonylContact O-C 3.53Å; I10-F121 VanDerWaalsContact O-CA 3.22Å; I10-F121 WeakPolarHBondContact O-CA 3.19Å; I10-H122 HydrophobicContact CB-CB 3.73Å; I10-H122 HydrophobicContact CD1-CB 3.92Å; I10-H122 HydrophobicContact CG1-CB 3.9Å; I10-H122 PolarHBondContact N-O 3.42Å; I10-H122 PolarHBondContact O-N 2.98Å; I10-F137 HydrophobicContact CD1-CE2 3.7Å; I10-F137 HydrophobicContact CD1-CZ 3.75Å
11L98.8Very high93.3Very high0 Ų053 Ų530%025%0.252CS..EExtended strand (participates in β ladder)trans-88.8116162.2-8059.9000107.3V15 Q16 R22 V25 M29 L74 G75 Y77 F121L11-V15 HydrophobicContact CB-CB 4.37Å; L11-V15 HydrophobicContact CB-CG1 4.28Å; L11-V15 HydrophobicContact CD2-CG1 3.91Å; L11-V15 HydrophobicContact CG-CG1 3.94Å; L11-Q16 HydrophobicContact CB-CB 4.19Å; L11-R22 HydrophobicContact CD2-CG 4.25Å; L11-V25 HydrophobicContact CD1-CG1 3.88Å; L11-V25 HydrophobicContact CD2-CB 4.11Å; L11-V25 HydrophobicContact CD2-CG1 4.04Å; L11-V25 HydrophobicContact CD2-CG2 4.37Å; L11-V25 HydrophobicContact CG-CG1 4.22Å; L11-M29 HydrophobicContact CD1-CE 3.98Å; L11-L74 WeakPolarHBondContact O-CA 3.21Å; L11-G75 PolarHBondContact N-O 3.04Å; L11-G75 PolarHBondContact O-N 3.43Å; L11-Y77 HydrophobicContact CD1-CD2 4.02Å; L11-Y77 HydrophobicContact CD1-CE2 3.79Å; L11-Y77 HydrophobicContact CD2-CE2 4.13Å; L11-Y77 HydrophobicContact CG-CE2 4.37Å; L11-F121 HydrophobicContact CD1-CD1 4.21Å; L11-F121 HydrophobicContact CD1-CE1 4.3Å; L11-F121 HydrophobicContact CG-CD1 4.17Å; L11-F121 HydrophobicContact CG-CE1 3.96Å
12K98.7Very high95.6Very high5 Ų544.1 Ų44.12%0.02221%0.206CC..  trans-76.6169.7-179.8-63.3-175.6179.9166.10111D14 V15 Q16 H68 M69 N119 G120K12-D14 PolarHBondContact O-N 2.76Å; K12-V15 PolarHBondContact O-N 3.49Å; K12-Q16 PolarHBondContact O-N 2.88Å; K12-H68 VanDerWaalsContact CD-CE1 3.42Å; K12-H68 WeakPolarHBondContact CD-CE1 3.32Å; K12-M69 HydrophobicContact CD-SD 3.98Å; K12-M69 HydrophobicContact CG-SD 3.86Å; K12-N119 PolarHBondContact NZ-OD1 2.83Å; K12-G120 WeakPolarHBondContact CB-O 3.44Å; K12-G120 PolarHBondContact N-O 2.99Å
13P98.5Very high97.1Very high1 Ų146.7 Ų46.71%0.00621%0.208CC..Hα-helixtrans-59.2-29-168.6-30.340.9000115.2V15 R17 H68 P73 L74P13-V15 PolarHBondContact O-N 2.68Å; P13-R17 WeakPolarHBondContact O-CB 3.19Å; P13-R17 VanDerWaalsContact O-CD 3.26Å; P13-R17 WeakPolarHBondContact O-CD 3.43Å; P13-R17 WeakPolarHBondContact O-CG 3.19Å; P13-R17 PolarHBondContact O-N 3.12Å; P13-R17 PolarHBondContact O-NE 3.26Å; P13-H68 VanDerWaalsContact CD-O 3.25Å; P13-H68 WeakPolarHBondContact CD-O 3.4Å; P13-H68 VanDerWaalsContact CG-O 3.24Å; P13-H68 WeakPolarHBondContact CG-O 3.39Å; P13-P73 WeakPolarHBondContact CA-O 3.43Å; P13-L74 HydrophobicContact CG-CD2 3.88Å
14D97.9Very high97.9Very high24 Ų2444.8 Ų44.813%0.12820%0.195CC..Hα-helixtrans-67.1-19.7176.2-68.5-24.6000113.7K12 F18 H68 L114 R118K12-D14 PolarHBondContact O-N 2.76Å; D14-F18 VanDerWaalsContact O-CD2 3.27Å; D14-F18 WeakPolarHBondContact O-CD2 3.49Å; D14-F18 WeakPolarHBondContact O-CE2 3.29Å; D14-H68 IonicContact OD2-CE1 2.75Å; D14-H68 IonicContact OD2-NE2 3.29Å; D14-H68 PolarHBondContact OD2-NE2 3.1Å; D14-L114 HydrophobicContact CB-CD1 4.42Å; D14-L114 WeakPolarHBondContact OD2-CD1 3.14Å; D14-R118 IonicContact OD1-CZ 3.97Å; D14-R118 IonicContact OD1-NE 2.69Å; D14-R118 IonicContact OD1-NH2 3.93Å; D14-R118 PolarHBondContact OD1-NH2 3.23Å; D14-R118 IonicContact OD2-CZ 3.23Å; D14-R118 VanDerWaalsContact OD2-CZ 3.23Å; D14-R118 IonicContact OD2-NE 2.78Å; D14-R118 PolarHBondContact OD2-NE 3Å; D14-R118 IonicContact OD2-NH2 2.94Å; D14-R118 PolarHBondContact OD2-NH2 3.42Å
15V98.6Very high98.3Very high0 Ų041.1 Ų41.10%018%0.181CC..Hα-helixtrans-106.8-50.2177.5-177.60000110.3L11 K12 P13 R17 F18 V25 F112 F121L11-V15 HydrophobicContact CB-CB 4.37Å; L11-V15 HydrophobicContact CB-CG1 4.28Å; L11-V15 HydrophobicContact CD2-CG1 3.91Å; L11-V15 HydrophobicContact CG-CG1 3.94Å; K12-V15 PolarHBondContact O-N 3.49Å; P13-V15 PolarHBondContact O-N 2.68Å; V15-R17 VanDerWaalsContact C-N 3.28Å; V15-R17 PolarHBondContact O-N 3.34Å; V15-F18 PolarHBondContact O-N 3.12Å; V15-V25 HydrophobicContact CG1-CG2 4.13Å; V15-F112 HydrophobicContact CG2-CB 3.97Å; V15-F112 HydrophobicContact CG2-CG 4.49Å; V15-F121 HydrophobicContact CB-CE1 4.39Å; V15-F121 HydrophobicContact CB-CZ 4.32Å; V15-F121 HydrophobicContact CG1-CE1 3.83Å; V15-F121 HydrophobicContact CG1-CZ 3.84Å; V15-F121 HydrophobicContact CG2-CE1 4.12Å; V15-F121 HydrophobicContact CG2-CE2 4.01Å; V15-F121 HydrophobicContact CG2-CZ 3.67Å
16Q98.5Very high98.4Very high6 Ų642.5 Ų42.53%0.02819%0.187CC..Hα-helixtrans-59.7-35.8-173.6176.364.110.500113L11 K12 F18 R22 E41 P73 G75L11-Q16 HydrophobicContact CB-CB 4.19Å; K12-Q16 PolarHBondContact O-N 2.88Å; Q16-F18 PolarHBondContact O-N 3.41Å; Q16-R22 WeakPolarHBondContact O-CD 3.5Å; Q16-R22 WeakPolarHBondContact O-CG 3.48Å; Q16-R22 PolarHBondContact O-NE 3.4Å; Q16-R22 PolarHBondContact O-NH1 3.37Å; Q16-R22 VanDerWaalsContact O-NH1 3.13Å; Q16-E41 PolarHBondContact NE2-OE2 3.33Å; Q16-P73 WeakPolarHBondContact CB-O 3.4Å; Q16-P73 HydrophobicContact CG-CB 3.97Å; Q16-P73 HydrophobicContact CG-CG 4.15Å; Q16-P73 WeakPolarHBondContact CG-O 3.37Å; Q16-G75 VanDerWaalsContact CD-N 3.26Å; Q16-G75 VanDerWaalsContact CG-N 3.3Å
17R97.9Very high98.5Very high136 Ų13645.2 Ų45.251%0.51321%0.206SC..THydrogen-bonded Turntrans-66.9-18.7-176.473.6-172.910.7-108.2-1.9114.1P13 V15 P73P13-R17 WeakPolarHBondContact O-CB 3.19Å; P13-R17 VanDerWaalsContact O-CD 3.26Å; P13-R17 WeakPolarHBondContact O-CD 3.43Å; P13-R17 WeakPolarHBondContact O-CG 3.19Å; P13-R17 PolarHBondContact O-N 3.12Å; P13-R17 PolarHBondContact O-NE 3.26Å; V15-R17 VanDerWaalsContact C-N 3.28Å; V15-R17 PolarHBondContact O-N 3.34Å; R17-P73 HydrophobicContact CB-CG 4.44Å
18F98.3Very high98.5Very high96 Ų9646.3 Ų46.342%0.42121%0.213SC..  trans-105.5111.4-175.7-59-71.9000110.5D14 V15 Q16 N20 Y21 R22D14-F18 VanDerWaalsContact O-CD2 3.27Å; D14-F18 WeakPolarHBondContact O-CD2 3.49Å; D14-F18 WeakPolarHBondContact O-CE2 3.29Å; V15-F18 PolarHBondContact O-N 3.12Å; Q16-F18 PolarHBondContact O-N 3.41Å; F18-N20 PolarHBondContact O-N 3.48Å; F18-N20 VanDerWaalsContact O-N 3.14Å; F18-Y21 HydrophobicContact CB-CD1 4.29Å; F18-Y21 HydrophobicContact CB-CD2 3.71Å; F18-Y21 HydrophobicContact CB-CE2 4.21Å; F18-Y21 HydrophobicContact CB-CG 3.75Å; F18-Y21 AromaticContact CD2-CD2 3.59Å; F18-Y21 HydrophobicContact CD2-CD2 3.59Å; F18-Y21 AromaticContact CD2-CE2 3.61Å; F18-Y21 HydrophobicContact CD2-CE2 3.61Å; F18-Y21 HydrophobicContact CD2-CG 4.49Å; F18-Y21 HydrophobicContact CE2-CE2 4.21Å; F18-Y21 AromaticContact CG-CD2 3.97Å; F18-Y21 HydrophobicContact CG-CD2 3.97Å; F18-Y21 HydrophobicContact CG-CE2 4.05Å; F18-Y21 HydrophobicContact CG-CG 4.48Å; F18-Y21 PolarHBondContact O-N 2.82Å; F18-R22 PolarHBondContact O-N 2.83Å
19I98.1Very high98.5Very high85 Ų8546.3 Ų46.344%0.43621%0.213SC..Hα-helixtrans-53.3-39.4-177.1-174.164.2000113.2Y21 R22 K23I19-Y21 VanDerWaalsContact C-N 3.34Å; I19-Y21 PolarHBondContact O-N 3.36Å; I19-R22 PolarHBondContact O-N 3.13Å; I19-K23 HydrophobicContact CG1-CD 4.38Å; I19-K23 WeakPolarHBondContact O-CG 3.36Å; I19-K23 PolarHBondContact O-N 2.75Å
20N98.4Very high98.5Very high118 Ų11850.3 Ų50.363%0.63124%0.241SC*.Hα-helixtrans-69.9-32.2-179.7-67.3-17.9000112.1F18 Y24F18-N20 PolarHBondContact O-N 3.48Å; F18-N20 VanDerWaalsContact O-N 3.14Å; N20-Y24 WeakPolarHBondContact O-CB 3.45Å; N20-Y24 PolarHBondContact O-N 3.34Å
21Y98.5Very high98.5Very high99 Ų9956.5 Ų56.539%0.38827%0.274SS..Hα-helixtrans-73.2-41.1177-63-0.7000110.1F18 I19 Y24 V25 F112F18-Y21 HydrophobicContact CB-CD1 4.29Å; F18-Y21 HydrophobicContact CB-CD2 3.71Å; F18-Y21 HydrophobicContact CB-CE2 4.21Å; F18-Y21 HydrophobicContact CB-CG 3.75Å; F18-Y21 AromaticContact CD2-CD2 3.59Å; F18-Y21 HydrophobicContact CD2-CD2 3.59Å; F18-Y21 AromaticContact CD2-CE2 3.61Å; F18-Y21 HydrophobicContact CD2-CE2 3.61Å; F18-Y21 HydrophobicContact CD2-CG 4.49Å; F18-Y21 HydrophobicContact CE2-CE2 4.21Å; F18-Y21 AromaticContact CG-CD2 3.97Å; F18-Y21 HydrophobicContact CG-CD2 3.97Å; F18-Y21 HydrophobicContact CG-CE2 4.05Å; F18-Y21 HydrophobicContact CG-CG 4.48Å; F18-Y21 PolarHBondContact O-N 2.82Å; I19-Y21 VanDerWaalsContact C-N 3.34Å; I19-Y21 PolarHBondContact O-N 3.36Å; Y21-Y24 PolarHBondContact O-N 2.87Å; Y21-V25 VanDerWaalsContact O-CG2 3.23Å; Y21-V25 WeakPolarHBondContact O-CG2 3.39Å; Y21-V25 PolarHBondContact O-N 2.97Å; Y21-F112 HydrophobicContact CD1-CD1 4.44Å; Y21-F112 AromaticContact CD1-CE1 3.77Å; Y21-F112 HydrophobicContact CD1-CE1 3.77Å; Y21-F112 AromaticContact CD2-CD1 3.88Å; Y21-F112 HydrophobicContact CD2-CD1 3.88Å; Y21-F112 HydrophobicContact CD2-CE1 4Å; Y21-F112 HydrophobicContact CE1-CE1 4.15Å; Y21-F112 HydrophobicContact CE2-CD1 4.11Å; Y21-F112 HydrophobicContact CE2-CE1 4.36Å; Y21-F112 HydrophobicContact CG-CD1 4.06Å; Y21-F112 AromaticContact CG-CE1 3.7Å; Y21-F112 HydrophobicContact CG-CE1 3.7Å
22R98.3Very high98.4Very high53 Ų5357.9 Ų57.920%0.229%0.286CS..Hα-helixtrans-56.2-54.7172.2-64-165.4-67.9-145.95.8111.9L11 Q16 F18 I19 Y24 V25 E26 E41L11-R22 HydrophobicContact CD2-CG 4.25Å; Q16-R22 WeakPolarHBondContact O-CD 3.5Å; Q16-R22 WeakPolarHBondContact O-CG 3.48Å; Q16-R22 PolarHBondContact O-NE 3.4Å; Q16-R22 PolarHBondContact O-NH1 3.37Å; Q16-R22 VanDerWaalsContact O-NH1 3.13Å; F18-R22 PolarHBondContact O-N 2.83Å; I19-R22 PolarHBondContact O-N 3.13Å; R22-Y24 VanDerWaalsContact C-N 3.26Å; R22-Y24 PolarHBondContact O-N 2.91Å; R22-V25 PolarHBondContact O-N 3.26Å; R22-E26 WeakPolarHBondContact O-CG 3.49Å; R22-E26 PolarHBondContact O-N 3.13Å; R22-E41 IonicContact NH1-OE2 2.78Å; R22-E41 PolarHBondContact NH1-OE2 3.4Å
23K98.5Very high98.4Very high126 Ų12665.5 Ų65.555%0.54832%0.321SS..Hα-helixtrans-57-40.4179.1-74.6-178173.6-174.40112.4I19 S27I19-K23 HydrophobicContact CG1-CD 4.38Å; I19-K23 WeakPolarHBondContact O-CG 3.36Å; I19-K23 PolarHBondContact O-N 2.75Å; K23-S27 WeakPolarHBondContact O-CB 3.32Å; K23-S27 PolarHBondContact O-N 3.06Å
24Y98.6Very high98.4Very high81 Ų8165.8 Ų65.832%0.31832%0.323SS..Hα-helixtrans-62-48.6175178.1-90.1000111.5N20 Y21 R22 E26 S27 V28 L108 R111 F112N20-Y24 WeakPolarHBondContact O-CB 3.45Å; N20-Y24 PolarHBondContact O-N 3.34Å; Y21-Y24 PolarHBondContact O-N 2.87Å; R22-Y24 VanDerWaalsContact C-N 3.26Å; R22-Y24 PolarHBondContact O-N 2.91Å; Y24-E26 PolarHBondContact O-N 3.36Å; Y24-S27 WeakPolarHBondContact O-CB 3.23Å; Y24-S27 PolarHBondContact O-N 3.24Å; Y24-V28 HydrophobicContact CD1-CG2 4.1Å; Y24-V28 HydrophobicContact CE1-CG2 3.61Å; Y24-V28 WeakPolarHBondContact O-CG2 3.45Å; Y24-V28 PolarHBondContact O-N 3.05Å; Y24-L108 HydrophobicContact CD1-CD2 4.32Å; Y24-L108 HydrophobicContact CE1-CD2 3.92Å; Y24-R111 WeakPolarHBondContact OH-CD 3.49Å; Y24-R111 VanDerWaalsContact OH-CZ 3.31Å; Y24-R111 PolarHBondContact OH-NE 2.77Å; Y24-F112 AromaticContact CD1-CE2 3.62Å; Y24-F112 HydrophobicContact CD1-CE2 3.62Å; Y24-F112 AromaticContact CD1-CZ 3.51Å; Y24-F112 HydrophobicContact CD1-CZ 3.51Å; Y24-F112 AromaticContact CE1-CE2 3.82Å; Y24-F112 HydrophobicContact CE1-CE2 3.82Å; Y24-F112 AromaticContact CE1-CZ 3.97Å; Y24-F112 HydrophobicContact CE1-CZ 3.97Å; Y24-F112 HydrophobicContact CG-CZ 4.19Å
25V98.8Very high98.3Very high0 Ų069.7 Ų69.70%034%0.34CS..Hα-helixtrans-64.5-40.8-179.3174.60000111.6L11 V15 Y21 R22 S27 V28 M29 W88 L108 F112 F121L11-V25 HydrophobicContact CD1-CG1 3.88Å; L11-V25 HydrophobicContact CD2-CB 4.11Å; L11-V25 HydrophobicContact CD2-CG1 4.04Å; L11-V25 HydrophobicContact CD2-CG2 4.37Å; L11-V25 HydrophobicContact CG-CG1 4.22Å; V15-V25 HydrophobicContact CG1-CG2 4.13Å; Y21-V25 VanDerWaalsContact O-CG2 3.23Å; Y21-V25 WeakPolarHBondContact O-CG2 3.39Å; Y21-V25 PolarHBondContact O-N 2.97Å; R22-V25 PolarHBondContact O-N 3.26Å; V25-S27 VanDerWaalsContact C-N 3.33Å; V25-S27 PolarHBondContact O-N 2.95Å; V25-V28 WeakPolarHBondContact O-CB 3.37Å; V25-V28 PolarHBondContact O-N 3.27Å; V25-V28 VanDerWaalsContact O-N 3.15Å; V25-M29 HydrophobicContact CG1-CE 3.61Å; V25-M29 HydrophobicContact CG1-SD 4.37Å; V25-M29 WeakPolarHBondContact O-CG 3.4Å; V25-M29 PolarHBondContact O-N 3.5Å; V25-W88 HydrophobicContact CG1-CH2 4.09Å; V25-L108 HydrophobicContact CG1-CD1 4.11Å; V25-L108 HydrophobicContact CG2-CD2 3.99Å; V25-F112 HydrophobicContact CG2-CE2 4.17Å; V25-F121 HydrophobicContact CG1-CE1 4.16Å; V25-F121 HydrophobicContact CG2-CE1 3.74Å; V25-F121 HydrophobicContact CG2-CZ 3.93Å
26E98.7Very high98.3Very high61 Ų6172.5 Ų72.529%0.28536%0.355SS..Hα-helixtrans-62-40.3174.3-70170.5162.200111.7R22 Y24 V28 M29 S30 I36 Y77R22-E26 WeakPolarHBondContact O-CG 3.49Å; R22-E26 PolarHBondContact O-N 3.13Å; Y24-E26 PolarHBondContact O-N 3.36Å; E26-V28 VanDerWaalsContact C-N 3.34Å; E26-V28 PolarHBondContact O-N 3.02Å; E26-M29 WeakPolarHBondContact O-CB 3.41Å; E26-M29 PolarHBondContact O-N 2.88Å; E26-S30 PolarHBondContact O-N 3.39Å; E26-I36 HydrophobicContact CB-CD1 4.32Å; E26-I36 HydrophobicContact CG-CD1 4.04Å; E26-Y77 HydrophobicContact CG-CE1 4.19Å; E26-Y77 PolarHBondContact OE1-OH 2.91Å
27S98.6Very high98.2Very high58 Ų5874.3 Ų74.341%0.40636%0.364SS..Hα-helixtrans-63-39.9172.7176.70000111.9K23 Y24 V25 S30 N31K23-S27 WeakPolarHBondContact O-CB 3.32Å; K23-S27 PolarHBondContact O-N 3.06Å; Y24-S27 WeakPolarHBondContact O-CB 3.23Å; Y24-S27 PolarHBondContact O-N 3.24Å; V25-S27 VanDerWaalsContact C-N 3.33Å; V25-S27 PolarHBondContact O-N 2.95Å; S27-S30 PolarHBondContact O-N 3.33Å; S27-N31 WeakPolarHBondContact O-CB 3.34Å; S27-N31 PolarHBondContact O-N 3.24Å; S27-N31 PolarHBondContact O-ND2 3.29Å
28V98.7Very high98.2Very high24 Ų2470.7 Ų70.715%0.14535%0.353CS..Hα-helixtrans-62.8-42174.6172.10000111.3Y24 V25 E26 A32 L91 L108Y24-V28 HydrophobicContact CD1-CG2 4.1Å; Y24-V28 HydrophobicContact CE1-CG2 3.61Å; Y24-V28 WeakPolarHBondContact O-CG2 3.45Å; Y24-V28 PolarHBondContact O-N 3.05Å; V25-V28 WeakPolarHBondContact O-CB 3.37Å; V25-V28 PolarHBondContact O-N 3.27Å; V25-V28 VanDerWaalsContact O-N 3.15Å; E26-V28 VanDerWaalsContact C-N 3.34Å; E26-V28 PolarHBondContact O-N 3.02Å; V28-A32 WeakPolarHBondContact O-CB 3.15Å; V28-A32 PolarHBondContact O-N 2.95Å; V28-A32 VanDerWaalsContact O-N 3.16Å; V28-L91 HydrophobicContact CG1-CB 4.36Å; V28-L91 HydrophobicContact CG1-CD1 4.14Å; V28-L91 HydrophobicContact CG1-CD2 3.79Å; V28-L91 HydrophobicContact CG1-CG 4.31Å; V28-L108 HydrophobicContact CG1-CD1 4.45Å; V28-L108 HydrophobicContact CG1-CD2 4.4Å; V28-L108 HydrophobicContact CG2-CD2 4.31Å
29M98.6Very high98.2Very high0 Ų069.5 Ų69.50%035%0.351CS..Hα-helixtrans-60.5-49.2175-67.4163.8176.600111.2A9 L11 V25 E26 A32 Q33 L34 I36 Y77 L79 W88A9-M29 HydrophobicContact CB-CE 4.12Å; L11-M29 HydrophobicContact CD1-CE 3.98Å; V25-M29 HydrophobicContact CG1-CE 3.61Å; V25-M29 HydrophobicContact CG1-SD 4.37Å; V25-M29 WeakPolarHBondContact O-CG 3.4Å; V25-M29 PolarHBondContact O-N 3.5Å; E26-M29 WeakPolarHBondContact O-CB 3.41Å; E26-M29 PolarHBondContact O-N 2.88Å; M29-A32 CarbonylContact O-C 3.59Å; M29-A32 PolarHBondContact O-N 3.49Å; M29-Q33 PolarHBondContact O-N 2.97Å; M29-L34 HydrophobicContact CB-CB 4.34Å; M29-L34 WeakPolarHBondContact O-CB 3.3Å; M29-L34 PolarHBondContact O-N 2.96Å; M29-I36 HydrophobicContact SD-CD1 4.19Å; M29-I36 HydrophobicContact SD-CG1 4.28Å; M29-Y77 HydrophobicContact CE-CG 4.48Å; M29-L79 HydrophobicContact CE-CD1 4.06Å; M29-L79 HydrophobicContact CE-CD2 4.36Å; M29-L79 HydrophobicContact CG-CD1 4.06Å; M29-L79 HydrophobicContact CG-CD2 4.35Å; M29-L79 HydrophobicContact SD-CD1 4.18Å; M29-L79 HydrophobicContact SD-CD2 3.77Å; M29-W88 HydrophobicContact CE-CH2 3.57Å; M29-W88 HydrophobicContact CE-CZ2 4.17Å; M29-W88 HydrophobicContact CE-CZ3 3.77Å; M29-W88 HydrophobicContact CG-CZ3 4.07Å
30S98.2Very high98.2Very high84 Ų8469.8 Ų69.859%0.58735%0.35SS*.Hα-helixtrans-62.6-45.4-179.8-177.60000112.5E26 S27 A32 Q33E26-S30 PolarHBondContact O-N 3.39Å; S27-S30 PolarHBondContact O-N 3.33Å; S30-A32 PolarHBondContact O-N 3.15Å; S30-Q33 PolarHBondContact O-N 3.38Å
31N98.4Very high98.2Very high129 Ų12968.8 Ų68.869%0.6934%0.342SS*.Hα-helixtrans-63-27.3177.8-71.5-21.1000112.7S27 Q33S27-N31 WeakPolarHBondContact O-CB 3.34Å; S27-N31 PolarHBondContact O-N 3.24Å; S27-N31 PolarHBondContact O-ND2 3.29Å; N31-Q33 VanDerWaalsContact C-N 3.26Å; N31-Q33 PolarHBondContact O-N 3.48Å
32A98.1Very high98.2Very high30 Ų3065 Ų6525%0.24833%0.328CS..THydrogen-bonded Turntrans-87.111174.900000113.8V28 M29 S30 L34 V87 L91V28-A32 WeakPolarHBondContact O-CB 3.15Å; V28-A32 PolarHBondContact O-N 2.95Å; V28-A32 VanDerWaalsContact O-N 3.16Å; M29-A32 CarbonylContact O-C 3.59Å; M29-A32 PolarHBondContact O-N 3.49Å; S30-A32 PolarHBondContact O-N 3.15Å; A32-L34 HydrophobicContact CB-CG 4.42Å; A32-L34 PolarHBondContact O-N 2.82Å; A32-V87 HydrophobicContact CB-CG1 3.99Å; A32-L91 HydrophobicContact CB-CD1 3.56Å; A32-L91 HydrophobicContact CB-CD2 4.17Å; A32-L91 HydrophobicContact CB-CG 4.37Å
33Q97.6Very high98.2Very high165 Ų16569.4 Ų69.477%0.77135%0.349SS*.THydrogen-bonded Turntrans59.128.4-177.6-55178.1-1700113.4M29 S30 N31M29-Q33 PolarHBondContact O-N 2.97Å; S30-Q33 PolarHBondContact O-N 3.38Å; N31-Q33 VanDerWaalsContact C-N 3.26Å; N31-Q33 PolarHBondContact O-N 3.48Å
34L98.2Very high98.2Very high6 Ų664 Ų643%0.03133%0.326CS..  trans-91.1113.8169-61.7179.9000109.1M29 A32 L79 A84 V87 W88 L91M29-L34 HydrophobicContact CB-CB 4.34Å; M29-L34 WeakPolarHBondContact O-CB 3.3Å; M29-L34 PolarHBondContact O-N 2.96Å; A32-L34 HydrophobicContact CB-CG 4.42Å; A32-L34 PolarHBondContact O-N 2.82Å; L34-L79 HydrophobicContact CB-CB 4.43Å; L34-L79 HydrophobicContact CB-CD1 4.42Å; L34-L79 HydrophobicContact CD1-CD1 3.88Å; L34-A84 HydrophobicContact CD2-CB 3.89Å; L34-V87 HydrophobicContact CD1-CG1 3.96Å; L34-V87 HydrophobicContact CD2-CB 4.2Å; L34-V87 HydrophobicContact CD2-CG1 4.02Å; L34-V87 HydrophobicContact CG-CG1 3.99Å; L34-W88 HydrophobicContact CD1-CB 4.05Å; L34-W88 HydrophobicContact CD1-CE3 4.44Å; L34-L91 HydrophobicContact CD1-CD1 3.98Å
35Q97.2Very high98.1Very high106 Ų10663.8 Ų63.850%0.49533%0.333SS..EExtended strand (participates in β ladder)trans-78.2128.4175.1-175.9-178.8-1100109.8I37 L79 A80Q35-I37 HydrophobicContact CB-CD1 4.28Å; Q35-I37 VanDerWaalsContact CD-CD1 3.49Å; Q35-I37 HydrophobicContact CG-CD1 3.79Å; Q35-I37 PolarHBondContact O-N 3.05Å; Q35-L79 CarbonylContact O-C 3.52Å; Q35-L79 VanDerWaalsContact O-CA 3.3Å; Q35-L79 WeakPolarHBondContact O-CA 3.44Å; Q35-A80 PolarHBondContact N-O 3.25Å; Q35-A80 PolarHBondContact O-N 3.38Å
36I98.1Very high98.1Very high59 Ų5969.2 Ų69.230%0.30335%0.354SS..EExtended strand (participates in β ladder)trans-77.2110.4168-58.9170.8000107.6E26 M29 N39 Y77 L79E26-I36 HydrophobicContact CB-CD1 4.32Å; E26-I36 HydrophobicContact CG-CD1 4.04Å; M29-I36 HydrophobicContact SD-CD1 4.19Å; M29-I36 HydrophobicContact SD-CG1 4.28Å; I36-N39 HydrophobicContact CG2-CB 4.19Å; I36-Y77 HydrophobicContact CD1-CD1 4.16Å; I36-Y77 HydrophobicContact CD1-CE1 4.27Å; I36-Y77 HydrophobicContact CG1-CD1 4.35Å; I36-Y77 HydrophobicContact CG2-CD1 3.94Å; I36-L79 HydrophobicContact CB-CD2 4.43Å; I36-L79 HydrophobicContact CG1-CD2 3.75Å
37I96.8Very high98.1Very high44 Ų4472 Ų7223%0.22637%0.37CS..EExtended strand (participates in β ladder)trans-87.6-39.2-179-57.7-65.6000111.1Q35 I78 A80 F141 I146Q35-I37 HydrophobicContact CB-CD1 4.28Å; Q35-I37 VanDerWaalsContact CD-CD1 3.49Å; Q35-I37 HydrophobicContact CG-CD1 3.79Å; Q35-I37 PolarHBondContact O-N 3.05Å; I37-I78 HydrophobicContact CB-CB 4.47Å; I37-I78 HydrophobicContact CB-CG2 4.31Å; I37-I78 PolarHBondContact N-O 3.37Å; I37-A80 HydrophobicContact CD1-CB 3.72Å; I37-A80 HydrophobicContact CG1-CB 3.5Å; I37-F141 HydrophobicContact CG2-CE2 4.11Å; I37-F141 HydrophobicContact CG2-CZ 3.79Å; I37-I146 HydrophobicContact CD1-CG2 4.09Å; I37-I146 HydrophobicContact CG1-CG2 4.12Å; I37-I146 HydrophobicContact CG2-CD1 3.64Å; I37-I146 HydrophobicContact CG2-CG1 4.04Å
38H97.8Very high98.1Very high60 Ų6073.5 Ų73.528%0.27837%0.367SS..EExtended strand (participates in β ladder)trans-152.2145.7179.2-17162.7000108.8E40 Y77 I78 F138 F141H38-E40 IonicContact CD2-OE1 3.97Å; H38-E40 IonicContact CE1-OE1 3.44Å; H38-E40 PolarHBondContact CE1-OE1 3.14Å; H38-E40 IonicContact NE2-OE1 3.72Å; H38-E40 PolarHBondContact NE2-OE1 3.06Å; H38-Y77 WeakPolarHBondContact O-CA 3.34Å; H38-I78 HydrophobicContact CB-CB 4.25Å; H38-I78 HydrophobicContact CB-CD1 3.98Å; H38-I78 HydrophobicContact CB-CG1 4.19Å; H38-I78 PolarHBondContact O-N 3.2Å; H38-F138 AromaticContact CD2-CD1 3.82Å; H38-F138 AromaticContact CD2-CE1 3.67Å; H38-F138 AromaticContact CD2-CZ 3.75Å; H38-F138 AromaticContact NE2-CD1 3.81Å; H38-F138 AromaticContact NE2-CE1 3.69Å; H38-F141 HydrophobicContact CB-CE2 4.17Å
39N98.1Very high98.1Very high71 Ų7172.3 Ų72.338%0.3836%0.36SS..EExtended strand (participates in β ladder)trans-149.5148.2167.967.8-17.6000111.9I36 V76 Y77I36-N39 HydrophobicContact CG2-CB 4.19Å; N39-V76 CarbonylContact C-O 3.57Å; N39-V76 WeakPolarHBondContact CA-O 3.48Å; N39-Y77 HydrophobicContact CB-CD1 3.39Å; N39-Y77 HydrophobicContact CB-CE1 3.69Å; N39-Y77 HydrophobicContact CB-CG 3.83Å; N39-Y77 WeakPolarHBondContact ND2-CE1 3.42Å
40E98.4Very high98Very high92 Ų9275.8 Ų75.843%0.4338%0.376SS..EExtended strand (participates in β ladder)trans-139.7149.6172.8-71.9179.9-14600110.6H38 I42 V76 F138H38-E40 IonicContact CD2-OE1 3.97Å; H38-E40 IonicContact CE1-OE1 3.44Å; H38-E40 PolarHBondContact CE1-OE1 3.14Å; H38-E40 IonicContact NE2-OE1 3.72Å; H38-E40 PolarHBondContact NE2-OE1 3.06Å; E40-I42 HydrophobicContact CB-CD1 4.33Å; E40-I42 HydrophobicContact CB-CG1 4.05Å; E40-V76 PolarHBondContact N-O 2.92Å; E40-V76 PolarHBondContact O-N 3.05Å; E40-F138 HydrophobicContact CB-CE1 3.93Å; E40-F138 HydrophobicContact CB-CZ 4.27Å; E40-F138 HydrophobicContact CG-CE1 3.88Å
41E98.5Very high98Very high97 Ų9776.2 Ų76.245%0.45338%0.375SS..EExtended strand (participates in β ladder)trans-88.5120.7164.1-175.1168.810100109.2Q16 R22 P73 L74Q16-E41 PolarHBondContact NE2-OE2 3.33Å; R22-E41 IonicContact NH1-OE2 2.78Å; R22-E41 PolarHBondContact NH1-OE2 3.4Å; E41-P73 HydrophobicContact CG-CB 3.61Å; E41-L74 CarbonylContact C-O 3.55Å; E41-L74 VanDerWaalsContact CA-O 3.29Å; E41-L74 WeakPolarHBondContact CA-O 3.22Å
42I98.3Very high98Very high20 Ų2071.2 Ų71.210%0.10335%0.347CS..EExtended strand (participates in β ladder)trans-123.3134.6-173.3-61.5-178.9000110E40 L74 V76 F137 F138E40-I42 HydrophobicContact CB-CD1 4.33Å; E40-I42 HydrophobicContact CB-CG1 4.05Å; I42-L74 PolarHBondContact N-O 3.49Å; I42-L74 WeakPolarHBondContact O-CB 3.38Å; I42-L74 PolarHBondContact O-N 3.21Å; I42-V76 HydrophobicContact CB-CG2 4.31Å; I42-V76 HydrophobicContact CD1-CB 4.13Å; I42-V76 HydrophobicContact CD1-CG2 3.91Å; I42-V76 HydrophobicContact CG1-CG2 4.29Å; I42-F137 HydrophobicContact CD1-CD1 3.93Å; I42-F138 HydrophobicContact CD1-CE1 4.1Å; I42-F138 HydrophobicContact CD1-CZ 4.38Å
43F98.5Very high98Very high144 Ų14470.3 Ų70.363%0.63234%0.338SS*.  trans-96.5110.5165.6-71.5-94.9000109.1P73F43-P73 HydrophobicContact CE1-CB 4.08Å; F43-P73 HydrophobicContact CE1-CG 4.45Å; F43-P73 HydrophobicContact CE2-CB 4.14Å; F43-P73 HydrophobicContact CZ-CB 3.79Å; F43-P73 HydrophobicContact CZ-CG 4.3Å
44M97.2Very high97.9Very high13 Ų1365 Ų656%0.06432%0.322CS..  trans-81.2135.3-175.1-157.6136.211400111.2R48 A49 F52 M69 I70 L74 F137M44-R48 HydrophobicContact CG-CB 4.01Å; M44-A49 HydrophobicContact CE-CB 3.63Å; M44-A49 HydrophobicContact CG-CB 4.2Å; M44-F52 HydrophobicContact CE-CB 3.99Å; M44-F52 HydrophobicContact CE-CD1 4.34Å; M44-F52 HydrophobicContact CE-CG 4.25Å; M44-M69 HydrophobicContact CE-CB 3.77Å; M44-M69 HydrophobicContact CE-CE 3.63Å; M44-M69 HydrophobicContact CE-CG 4.05Å; M44-M69 HydrophobicContact SD-CE 4.3Å; M44-I70 HydrophobicContact CB-CG2 4.37Å; M44-I70 WeakPolarHBondContact O-CG2 3.36Å; M44-L74 HydrophobicContact CB-CD1 3.82Å; M44-L74 HydrophobicContact CE-CD1 4.46Å; M44-L74 HydrophobicContact CG-CD1 4.41Å; M44-L74 HydrophobicContact SD-CD1 3.64Å; M44-F137 HydrophobicContact CE-CZ 4.4Å; M44-F137 HydrophobicContact SD-CE1 3.65Å; M44-F137 HydrophobicContact SD-CZ 3.83Å
45T98.3Very high97.8Very high77 Ų7771.8 Ų71.847%0.47235%0.354SS..  trans-78160.2167.465.30000110.3R48 A49T45-R48 PolarHBondContact O-N 2.96Å; T45-R48 WeakPolarHBondContact OG1-CG 3.4Å; T45-R48 PolarHBondContact OG1-N 2.87Å; T45-A49 WeakPolarHBondContact O-CB 3.4Å; T45-A49 PolarHBondContact O-N 2.95Å
46R98.3Very high97.7Very high114 Ų11469.3 Ų69.343%0.4334%0.342SS..Hα-helixtrans-58.5-49175177.2170.1-79.188.3-1.5112.2R48 A49 E50 V66 N67 I70R46-R48 VanDerWaalsContact C-N 3.26Å; R46-R48 PolarHBondContact O-N 3.19Å; R46-A49 CarbonylContact O-C 3.56Å; R46-A49 WeakPolarHBondContact O-CA 3.26Å; R46-A49 WeakPolarHBondContact O-CB 3.11Å; R46-A49 PolarHBondContact O-N 2.81Å; R46-E50 WeakPolarHBondContact CD-OE1 3.47Å; R46-E50 HydrophobicContact CG-CG 4.14Å; R46-E50 VanDerWaalsContact CG-OE1 3.28Å; R46-E50 WeakPolarHBondContact CG-OE1 3.29Å; R46-E50 WeakPolarHBondContact O-CG 3.27Å; R46-E50 PolarHBondContact O-N 3.04Å; R46-V66 HydrophobicContact CG-CG1 4.11Å; R46-N67 PolarHBondContact NH2-OD1 3.38Å; R46-I70 HydrophobicContact CB-CD1 4.29Å
47D98.4Very high97.6Very high118 Ų11874.1 Ų74.163%0.63136%0.361SS*.Hα-helixtrans-56.6-42-179.3-56.8-7.1000111.6E50 V51D47-E50 PolarHBondContact O-N 2.86Å; D47-V51 VanDerWaalsContact O-CG2 3.31Å; D47-V51 WeakPolarHBondContact O-CG2 3.45Å; D47-V51 PolarHBondContact O-N 2.92Å
48R98Very high97.6Very high90 Ų9075.6 Ų75.634%0.3439%0.387SS..Hα-helixtrans-67.1-41175-72-171.374.5176.54.3112M44 T45 R46 E50 V51 F52 F136M44-R48 HydrophobicContact CG-CB 4.01Å; T45-R48 PolarHBondContact O-N 2.96Å; T45-R48 WeakPolarHBondContact OG1-CG 3.4Å; T45-R48 PolarHBondContact OG1-N 2.87Å; R46-R48 VanDerWaalsContact C-N 3.26Å; R46-R48 PolarHBondContact O-N 3.19Å; R48-E50 VanDerWaalsContact C-N 3.33Å; R48-E50 PolarHBondContact O-N 3.22Å; R48-V51 PolarHBondContact O-N 2.88Å; R48-F52 WeakPolarHBondContact O-CB 3.49Å; R48-F52 PolarHBondContact O-N 3.24Å; R48-F136 HydrophobicContact CB-CZ 3.98Å; R48-F136 HydrophobicContact CG-CZ 4.44Å; R48-F136 PolarHBondContact NH2-O 2.94Å; R48-F136 VanDerWaalsContact O-CZ 3.32Å; R48-F136 WeakPolarHBondContact O-CZ 3.36Å
49A98.4Very high97.6Very high0 Ų078.4 Ų78.40%040%0.399CS..Hα-helixtrans-63-37.9175.700000113.6M44 T45 R46 F52 Y53 V66 M69 I70M44-A49 HydrophobicContact CE-CB 3.63Å; M44-A49 HydrophobicContact CG-CB 4.2Å; T45-A49 WeakPolarHBondContact O-CB 3.4Å; T45-A49 PolarHBondContact O-N 2.95Å; R46-A49 CarbonylContact O-C 3.56Å; R46-A49 WeakPolarHBondContact O-CA 3.26Å; R46-A49 WeakPolarHBondContact O-CB 3.11Å; R46-A49 PolarHBondContact O-N 2.81Å; A49-F52 PolarHBondContact O-N 2.82Å; A49-Y53 PolarHBondContact O-N 3.27Å; A49-Y53 VanDerWaalsContact O-N 3.11Å; A49-V66 HydrophobicContact CB-CB 4.49Å; A49-V66 HydrophobicContact CB-CG1 3.92Å; A49-M69 HydrophobicContact CB-CB 4.16Å; A49-I70 HydrophobicContact CB-CG2 3.65Å
50E98.4Very high97.5Very high72 Ų7283.3 Ų83.334%0.33642%0.417SS..Hα-helixtrans-67.5-42.6175.4-71.5-178.3-177.200111.9R46 D47 R48 Y53 A54 Y62 V66R46-E50 WeakPolarHBondContact CD-OE1 3.47Å; R46-E50 HydrophobicContact CG-CG 4.14Å; R46-E50 VanDerWaalsContact CG-OE1 3.28Å; R46-E50 WeakPolarHBondContact CG-OE1 3.29Å; R46-E50 WeakPolarHBondContact O-CG 3.27Å; R46-E50 PolarHBondContact O-N 3.04Å; D47-E50 PolarHBondContact O-N 2.86Å; R48-E50 VanDerWaalsContact C-N 3.33Å; R48-E50 PolarHBondContact O-N 3.22Å; E50-Y53 CarbonylContact O-C 3.52Å; E50-Y53 PolarHBondContact O-N 3.37Å; E50-A54 WeakPolarHBondContact O-CA 3.33Å; E50-A54 PolarHBondContact O-N 3.32Å; E50-Y62 WeakPolarHBondContact CA-OH 3.37Å; E50-Y62 WeakPolarHBondContact CB-OH 3.44Å; E50-Y62 WeakPolarHBondContact CG-OH 3.34Å; E50-Y62 PolarHBondContact O-OH 3.01Å; E50-V66 HydrophobicContact CG-CG1 3.9Å; E50-V66 HydrophobicContact CG-CG2 4.03Å
51V98Very high97.4Very high94 Ų9481.6 Ų81.657%0.5741%0.408SS*.Hα-helixtrans-62.3-43.6173.5172.70000111.1D47 R48 Y53 A54 F136D47-V51 VanDerWaalsContact O-CG2 3.31Å; D47-V51 WeakPolarHBondContact O-CG2 3.45Å; D47-V51 PolarHBondContact O-N 2.92Å; R48-V51 PolarHBondContact O-N 2.88Å; V51-Y53 VanDerWaalsContact C-N 3.32Å; V51-Y53 PolarHBondContact O-N 3.34Å; V51-A54 VanDerWaalsContact O-CB 3.28Å; V51-A54 WeakPolarHBondContact O-CB 3.38Å; V51-A54 PolarHBondContact O-N 2.89Å; V51-F136 HydrophobicContact CB-CE2 4.16Å; V51-F136 HydrophobicContact CG1-CD2 4.35Å; V51-F136 HydrophobicContact CG1-CE2 3.7Å
52F97.9Very high97.3Very high24 Ų2477.9 Ų77.911%0.10539%0.39CS..Hα-helixtrans-61.2-39.5180-175.2-103.1000112.5I10 M44 R48 A49 M69 H122 E133 F136 F137I10-F52 HydrophobicContact CD1-CE1 4.26Å; I10-F52 HydrophobicContact CD1-CE2 4.41Å; I10-F52 HydrophobicContact CD1-CZ 3.81Å; M44-F52 HydrophobicContact CE-CB 3.99Å; M44-F52 HydrophobicContact CE-CD1 4.34Å; M44-F52 HydrophobicContact CE-CG 4.25Å; R48-F52 WeakPolarHBondContact O-CB 3.49Å; R48-F52 PolarHBondContact O-N 3.24Å; A49-F52 PolarHBondContact O-N 2.82Å; F52-M69 HydrophobicContact CE1-CE 4.45Å; F52-H122 AromaticContact CZ-CD2 3.87Å; F52-H122 AromaticContact CZ-CE1 3.66Å; F52-H122 AromaticContact CZ-ND1 4Å; F52-H122 AromaticContact CZ-NE2 3.6Å; F52-E133 HydrophobicContact CE2-CB 4.38Å; F52-E133 HydrophobicContact CE2-CG 3.98Å; F52-F136 HydrophobicContact CB-CE1 4.13Å; F52-F136 HydrophobicContact CB-CZ 4.14Å; F52-F136 AromaticContact CD2-CD1 4Å; F52-F136 HydrophobicContact CD2-CD1 4Å; F52-F136 HydrophobicContact CD2-CE1 4.02Å; F52-F136 HydrophobicContact CG-CE1 4.47Å; F52-F137 AromaticContact CD2-CE2 3.79Å; F52-F137 HydrophobicContact CD2-CE2 3.79Å; F52-F137 HydrophobicContact CD2-CZ 4.13Å; F52-F137 AromaticContact CE2-CE2 3.53Å; F52-F137 HydrophobicContact CE2-CE2 3.53Å; F52-F137 HydrophobicContact CE2-CZ 4.17Å; F52-F137 HydrophobicContact CZ-CE2 4.22Å
53Y96.8Very high97.3Very high10 Ų1081.8 Ų81.84%0.03941%0.411CS..THydrogen-bonded Turntrans-98.119.5178.1-71.2-52.8000114.2A49 E50 V51 E55 H56 Y62 L65 V66 M69A49-Y53 PolarHBondContact O-N 3.27Å; A49-Y53 VanDerWaalsContact O-N 3.11Å; E50-Y53 CarbonylContact O-C 3.52Å; E50-Y53 PolarHBondContact O-N 3.37Å; V51-Y53 VanDerWaalsContact C-N 3.32Å; V51-Y53 PolarHBondContact O-N 3.34Å; Y53-E55 PolarHBondContact O-N 2.8Å; Y53-H56 AromaticContact CD1-CD2 3.82Å; Y53-H56 WeakPolarHBondContact O-CA 3.47Å; Y53-H56 WeakPolarHBondContact O-CB 3.13Å; Y53-H56 PolarHBondContact O-N 3.48Å; Y53-Y62 VanDerWaalsContact O-CE2 3.25Å; Y53-Y62 WeakPolarHBondContact O-CE2 3.26Å; Y53-L65 HydrophobicContact CD1-CD1 4.19Å; Y53-L65 HydrophobicContact CD2-CB 3.69Å; Y53-L65 HydrophobicContact CE1-CD1 4.31Å; Y53-L65 HydrophobicContact CE2-CB 3.61Å; Y53-L65 HydrophobicContact CG-CB 4.22Å; Y53-L65 HydrophobicContact CG-CD1 4.37Å; Y53-V66 HydrophobicContact CD2-CG2 4.45Å; Y53-M69 HydrophobicContact CD2-CG 4.42Å; Y53-M69 HydrophobicContact CE2-CG 3.45Å; Y53-M69 VanDerWaalsContact CE2-CG 3.45Å; Y53-M69 HydrophobicContact CE2-SD 4.32Å
54A97Very high97.2Very high55 Ų5582.3 Ų82.346%0.45541%0.409SS..G310 helixtrans-54.4-33.8-173.400000113.4E50 V51 H56 K57E50-A54 WeakPolarHBondContact O-CA 3.33Å; E50-A54 PolarHBondContact O-N 3.32Å; V51-A54 VanDerWaalsContact O-CB 3.28Å; V51-A54 WeakPolarHBondContact O-CB 3.38Å; V51-A54 PolarHBondContact O-N 2.89Å; A54-H56 PolarHBondContact O-N 2.87Å; A54-K57 VanDerWaalsContact O-CB 3.24Å; A54-K57 WeakPolarHBondContact O-CB 3.46Å; A54-K57 PolarHBondContact O-N 2.92Å; A54-K57 VanDerWaalsContact O-N 3.12Å
55E95.4Very high97.2Very high148 Ų14882.4 Ų82.469%0.69241%0.41SS*.G310 helixtrans-63.7-18.8175.457.9167.9-166.700114.6Y53Y53-E55 PolarHBondContact O-N 2.8Å
56H95.5Very high97.2Very high54 Ų5478.9 Ų78.925%0.2539%0.388CS..G310 helixtrans-100.92.8178-60.6-23.4000112.7Y53 A54 G58 K59 F61 Y62Y53-H56 AromaticContact CD1-CD2 3.82Å; Y53-H56 WeakPolarHBondContact O-CA 3.47Å; Y53-H56 WeakPolarHBondContact O-CB 3.13Å; Y53-H56 PolarHBondContact O-N 3.48Å; A54-H56 PolarHBondContact O-N 2.87Å; H56-G58 PolarHBondContact O-N 3.26Å; H56-K59 VanDerWaalsContact O-CB 3.27Å; H56-K59 WeakPolarHBondContact O-CB 3.24Å; H56-K59 VanDerWaalsContact O-CG 3.25Å; H56-K59 WeakPolarHBondContact O-CG 3.38Å; H56-K59 PolarHBondContact O-N 2.99Å; H56-F61 HydrophobicContact CB-CE2 4.09Å; H56-Y62 HydrophobicContact CB-CD2 4.08Å; H56-Y62 WeakPolarHBondContact O-CB 3.32Å
57K96.4Very high97.2Very high159 Ų15977 Ų7769%0.69139%0.386SS*.THydrogen-bonded Turntrans-56.3133.6-180-169.9171.4-177.3172.50110.7A54 K59 Y62A54-K57 VanDerWaalsContact O-CB 3.24Å; A54-K57 WeakPolarHBondContact O-CB 3.46Å; A54-K57 PolarHBondContact O-N 2.92Å; A54-K57 VanDerWaalsContact O-N 3.12Å; K57-K59 VanDerWaalsContact C-N 3.32Å; K57-Y62 HydrophobicContact CB-CD2 4.49Å; K57-Y62 HydrophobicContact CB-CE2 4.21Å
58G96.5Very high97.2Very high76 Ų7671.7 Ų71.778%0.78436%0.358SS*.THydrogen-bonded Turntrans84.7-6.3-176.500000115.2H56H56-G58 PolarHBondContact O-N 3.26Å
59K97.5Very high97.2Very high119 Ų11967.4 Ų67.452%0.51734%0.342SS..SBendtrans-76.9143.6169.5-57.3-64.7-179.3-177.60110H56 K57 F61 Y62H56-K59 VanDerWaalsContact O-CB 3.27Å; H56-K59 WeakPolarHBondContact O-CB 3.24Å; H56-K59 VanDerWaalsContact O-CG 3.25Å; H56-K59 WeakPolarHBondContact O-CG 3.38Å; H56-K59 PolarHBondContact O-N 2.99Å; K57-K59 VanDerWaalsContact C-N 3.32Å; K59-F61 HydrophobicContact CB-CD1 4.1Å; K59-F61 HydrophobicContact CB-CD2 4.25Å; K59-F61 HydrophobicContact CB-CE1 3.75Å; K59-F61 HydrophobicContact CB-CE2 3.91Å; K59-F61 HydrophobicContact CB-CG 4.34Å; K59-F61 HydrophobicContact CB-CZ 3.65Å; K59-F61 HydrophobicContact CG-CE1 4.23Å; K59-F61 HydrophobicContact CG-CE2 4.32Å; K59-F61 HydrophobicContact CG-CZ 3.84Å; K59-F61 PolarHBondContact O-N 2.93Å; K59-Y62 VanDerWaalsContact O-CB 3.23Å; K59-Y62 WeakPolarHBondContact O-CB 3.36Å; K59-Y62 PolarHBondContact O-N 3.3Å
60F96.5Very high97.2Very high174 Ų17469.3 Ų69.376%0.76335%0.351SS*.THydrogen-bonded Turntrans-58.1-17.7-178.673.5-92.3000114.8
61F95Very high97.1Very high55 Ų5569.4 Ų69.424%0.24136%0.359CS..THydrogen-bonded Turntrans-99.4-4.5179.156.2-104.9000114H56 K59 D63 R64 L65 T117H56-F61 HydrophobicContact CB-CE2 4.09Å; K59-F61 HydrophobicContact CB-CD1 4.1Å; K59-F61 HydrophobicContact CB-CD2 4.25Å; K59-F61 HydrophobicContact CB-CE1 3.75Å; K59-F61 HydrophobicContact CB-CE2 3.91Å; K59-F61 HydrophobicContact CB-CG 4.34Å; K59-F61 HydrophobicContact CB-CZ 3.65Å; K59-F61 HydrophobicContact CG-CE1 4.23Å; K59-F61 HydrophobicContact CG-CE2 4.32Å; K59-F61 HydrophobicContact CG-CZ 3.84Å; K59-F61 PolarHBondContact O-N 2.93Å; F61-D63 PolarHBondContact O-N 3.41Å; F61-R64 WeakPolarHBondContact O-CB 3.44Å; F61-R64 PolarHBondContact O-N 3.32Å; F61-R64 VanDerWaalsContact O-N 3.17Å; F61-L65 HydrophobicContact CD2-CD1 3.61Å; F61-L65 HydrophobicContact CD2-CG 4.13Å; F61-L65 HydrophobicContact CE2-CD1 3.87Å; F61-L65 PolarHBondContact O-N 3.47Å; F61-L65 VanDerWaalsContact O-N 3.08Å; F61-T117 HydrophobicContact CB-CG2 3.77Å
62Y97.3Very high97.1Very high19 Ų1965.2 Ų65.28%0.07534%0.335CS..Hα-helixtrans-56-53.8-174.7175-102.3000112.5E50 Y53 H56 K57 K59 R64 L65 V66E50-Y62 WeakPolarHBondContact CA-OH 3.37Å; E50-Y62 WeakPolarHBondContact CB-OH 3.44Å; E50-Y62 WeakPolarHBondContact CG-OH 3.34Å; E50-Y62 PolarHBondContact O-OH 3.01Å; Y53-Y62 VanDerWaalsContact O-CE2 3.25Å; Y53-Y62 WeakPolarHBondContact O-CE2 3.26Å; H56-Y62 HydrophobicContact CB-CD2 4.08Å; H56-Y62 WeakPolarHBondContact O-CB 3.32Å; K57-Y62 HydrophobicContact CB-CD2 4.49Å; K57-Y62 HydrophobicContact CB-CE2 4.21Å; K59-Y62 VanDerWaalsContact O-CB 3.23Å; K59-Y62 WeakPolarHBondContact O-CB 3.36Å; K59-Y62 PolarHBondContact O-N 3.3Å; Y62-R64 PolarHBondContact O-N 3.17Å; Y62-L65 WeakPolarHBondContact O-CA 3.45Å; Y62-L65 WeakPolarHBondContact O-CB 3.37Å; Y62-L65 PolarHBondContact O-N 3Å; Y62-V66 HydrophobicContact CD1-CG2 4.38Å; Y62-V66 HydrophobicContact CD2-CG2 4.45Å; Y62-V66 HydrophobicContact CE1-CG2 3.96Å; Y62-V66 HydrophobicContact CE2-CG2 4.05Å; Y62-V66 PolarHBondContact O-N 3.39Å
63D97.7Very high97.1Very high102 Ų10264.8 Ų64.855%0.54534%0.335SS..Hα-helixtrans-61.9-30.9-179-62.6-28.4000112.2F61 N67F61-D63 PolarHBondContact O-N 3.41Å; D63-N67 WeakPolarHBondContact O-CB 3.49Å; D63-N67 PolarHBondContact O-N 3.39Å; D63-N67 PolarHBondContact O-ND2 3.01Å
64R97.6Very high97.2Very high155 Ų15564.3 Ų64.359%0.58533%0.333SS*.Hα-helixtrans-70-35.5175.8-63.5-176.8-177.1169.21.1111.6F61 Y62 H68 T117F61-R64 WeakPolarHBondContact O-CB 3.44Å; F61-R64 PolarHBondContact O-N 3.32Å; F61-R64 VanDerWaalsContact O-N 3.17Å; Y62-R64 PolarHBondContact O-N 3.17Å; R64-H68 VanDerWaalsContact O-CB 3.25Å; R64-H68 WeakPolarHBondContact O-CB 3.44Å; R64-H68 PolarHBondContact O-N 2.98Å; R64-H68 VanDerWaalsContact O-N 3.15Å; R64-T117 HydrophobicContact CB-CG2 4.13Å
65L96.9Very high97.3Very high16 Ų1661.7 Ų61.78%0.08431%0.312CS..Hα-helixtrans-67.2-49174-66.6177.6000110.7Y53 F61 Y62 H68 M69 T117Y53-L65 HydrophobicContact CD1-CD1 4.19Å; Y53-L65 HydrophobicContact CD2-CB 3.69Å; Y53-L65 HydrophobicContact CE1-CD1 4.31Å; Y53-L65 HydrophobicContact CE2-CB 3.61Å; Y53-L65 HydrophobicContact CG-CB 4.22Å; Y53-L65 HydrophobicContact CG-CD1 4.37Å; F61-L65 HydrophobicContact CD2-CD1 3.61Å; F61-L65 HydrophobicContact CD2-CG 4.13Å; F61-L65 HydrophobicContact CE2-CD1 3.87Å; F61-L65 PolarHBondContact O-N 3.47Å; F61-L65 VanDerWaalsContact O-N 3.08Å; Y62-L65 WeakPolarHBondContact O-CA 3.45Å; Y62-L65 WeakPolarHBondContact O-CB 3.37Å; Y62-L65 PolarHBondContact O-N 3Å; L65-H68 PolarHBondContact O-N 2.97Å; L65-M69 WeakPolarHBondContact O-CG 3.31Å; L65-M69 PolarHBondContact O-N 3.24Å; L65-M69 VanDerWaalsContact O-N 3.15Å; L65-T117 HydrophobicContact CD2-CG2 4.2Å
66V98.1Very high97.5Very high2 Ų254.7 Ų54.71%0.01228%0.279CS..Hα-helixtrans-58.6-53.6178.2172.40000110.6R46 A49 E50 Y53 Y62 H68 M69 I70R46-V66 HydrophobicContact CG-CG1 4.11Å; A49-V66 HydrophobicContact CB-CB 4.49Å; A49-V66 HydrophobicContact CB-CG1 3.92Å; E50-V66 HydrophobicContact CG-CG1 3.9Å; E50-V66 HydrophobicContact CG-CG2 4.03Å; Y53-V66 HydrophobicContact CD2-CG2 4.45Å; Y62-V66 HydrophobicContact CD1-CG2 4.38Å; Y62-V66 HydrophobicContact CD2-CG2 4.45Å; Y62-V66 HydrophobicContact CE1-CG2 3.96Å; Y62-V66 HydrophobicContact CE2-CG2 4.05Å; Y62-V66 PolarHBondContact O-N 3.39Å; V66-H68 PolarHBondContact O-N 3.38Å; V66-M69 PolarHBondContact O-N 3.04Å; V66-I70 PolarHBondContact O-N 3.45Å
67N97.9Very high97.6Very high75 Ų7552.4 Ų52.440%0.40127%0.268SS..Hα-helixtrans-61.6-31.9-179-73.7-36.7000112.8R46 D63 I70 C71R46-N67 PolarHBondContact NH2-OD1 3.38Å; D63-N67 WeakPolarHBondContact O-CB 3.49Å; D63-N67 PolarHBondContact O-N 3.39Å; D63-N67 PolarHBondContact O-ND2 3.01Å; N67-I70 WeakPolarHBondContact O-CG1 3.41Å; N67-C71 WeakPolarHBondContact O-CB 3.33Å; N67-C71 PolarHBondContact O-N 2.82Å
68H98Very high97.7Very high7 Ų744.8 Ų44.83%0.03224%0.235CC..Hα-helixtrans-70.2-34.8175.4-177.3-157.3000112.4K12 P13 D14 R64 L65 V66 I70 C71 T117K12-H68 VanDerWaalsContact CD-CE1 3.42Å; K12-H68 WeakPolarHBondContact CD-CE1 3.32Å; P13-H68 VanDerWaalsContact CD-O 3.25Å; P13-H68 WeakPolarHBondContact CD-O 3.4Å; P13-H68 VanDerWaalsContact CG-O 3.24Å; P13-H68 WeakPolarHBondContact CG-O 3.39Å; D14-H68 IonicContact OD2-CE1 2.75Å; D14-H68 IonicContact OD2-NE2 3.29Å; D14-H68 PolarHBondContact OD2-NE2 3.1Å; R64-H68 VanDerWaalsContact O-CB 3.25Å; R64-H68 WeakPolarHBondContact O-CB 3.44Å; R64-H68 PolarHBondContact O-N 2.98Å; R64-H68 VanDerWaalsContact O-N 3.15Å; L65-H68 PolarHBondContact O-N 2.97Å; V66-H68 PolarHBondContact O-N 3.38Å; H68-I70 VanDerWaalsContact C-N 3.3Å; H68-I70 PolarHBondContact O-N 3.49Å; H68-C71 PolarHBondContact O-SG 3.26Å; H68-T117 PolarHBondContact ND1-O 2.91Å; H68-T117 VanDerWaalsContact ND1-O 3.14Å
69M98Very high97.8Very high0 Ų041.2 Ų41.20%020%0.198CC..Hα-helixtrans-72.7-22.5-180-66.9-63.3-79.800113.8I10 K12 M44 A49 F52 Y53 L65 V66 L74I10-M69 HydrophobicContact CD1-CE 3.93Å; I10-M69 HydrophobicContact CG2-CE 4.22Å; K12-M69 HydrophobicContact CD-SD 3.98Å; K12-M69 HydrophobicContact CG-SD 3.86Å; M44-M69 HydrophobicContact CE-CB 3.77Å; M44-M69 HydrophobicContact CE-CE 3.63Å; M44-M69 HydrophobicContact CE-CG 4.05Å; M44-M69 HydrophobicContact SD-CE 4.3Å; A49-M69 HydrophobicContact CB-CB 4.16Å; F52-M69 HydrophobicContact CE1-CE 4.45Å; Y53-M69 HydrophobicContact CD2-CG 4.42Å; Y53-M69 HydrophobicContact CE2-CG 3.45Å; Y53-M69 VanDerWaalsContact CE2-CG 3.45Å; Y53-M69 HydrophobicContact CE2-SD 4.32Å; L65-M69 WeakPolarHBondContact O-CG 3.31Å; L65-M69 PolarHBondContact O-N 3.24Å; L65-M69 VanDerWaalsContact O-N 3.15Å; V66-M69 PolarHBondContact O-N 3.04Å; M69-L74 HydrophobicContact CE-CD1 3.56Å; M69-L74 HydrophobicContact CE-CD2 4.09Å; M69-L74 HydrophobicContact CE-CG 4.48Å; M69-L74 HydrophobicContact SD-CD1 4.46Å; M69-L74 HydrophobicContact SD-CD2 4.03Å
70I98Very high97.8Very high39 Ų3935.6 Ų35.620%0.217%0.174CC..Hα-helixtrans-104.7-5.8-173.266.4171.1000113.7M44 R46 A49 V66 N67 H68 G72M44-I70 HydrophobicContact CB-CG2 4.37Å; M44-I70 WeakPolarHBondContact O-CG2 3.36Å; R46-I70 HydrophobicContact CB-CD1 4.29Å; A49-I70 HydrophobicContact CB-CG2 3.65Å; V66-I70 PolarHBondContact O-N 3.45Å; N67-I70 WeakPolarHBondContact O-CG1 3.41Å; H68-I70 VanDerWaalsContact C-N 3.3Å; H68-I70 PolarHBondContact O-N 3.49Å; I70-G72 PolarHBondContact O-N 3.16Å
71C97.3Very high97.8Very high74 Ų7427.7 Ų27.750%0.514%0.142SC..SBendtrans-81.52.4-174.870.20000114.1N67 H68N67-C71 WeakPolarHBondContact O-CB 3.33Å; N67-C71 PolarHBondContact O-N 2.82Å; H68-C71 PolarHBondContact O-SG 3.26Å
72G98Very high97.8Very high7 Ų729.2 Ų29.27%0.07215%0.152CC..SBendtrans175.6-169.5178.600000112.6I70I70-G72 PolarHBondContact O-N 3.16Å
73P98.5Very high97.8Very high14 Ų1431.4 Ų31.49%0.09117%0.165CC..  trans-69.3144.4-17828.3-34.2000111.5P13 Q16 R17 E41 F43P13-P73 WeakPolarHBondContact CA-O 3.43Å; Q16-P73 WeakPolarHBondContact CB-O 3.4Å; Q16-P73 HydrophobicContact CG-CB 3.97Å; Q16-P73 HydrophobicContact CG-CG 4.15Å; Q16-P73 WeakPolarHBondContact CG-O 3.37Å; R17-P73 HydrophobicContact CB-CG 4.44Å; E41-P73 HydrophobicContact CG-CB 3.61Å; F43-P73 HydrophobicContact CE1-CB 4.08Å; F43-P73 HydrophobicContact CE1-CG 4.45Å; F43-P73 HydrophobicContact CE2-CB 4.14Å; F43-P73 HydrophobicContact CZ-CB 3.79Å; F43-P73 HydrophobicContact CZ-CG 4.3Å
74L98.8Very high97.8Very high0 Ų026.6 Ų26.60%014%0.139CC..EExtended strand (participates in β ladder)trans-107.1137.6169-56.8178.2000109.1I10 L11 P13 E41 I42 M44 M69 V76I10-L74 HydrophobicContact CG2-CB 4.07Å; I10-L74 HydrophobicContact CG2-CD1 4.46Å; I10-L74 HydrophobicContact CG2-CD2 4.27Å; L11-L74 WeakPolarHBondContact O-CA 3.21Å; P13-L74 HydrophobicContact CG-CD2 3.88Å; E41-L74 CarbonylContact C-O 3.55Å; E41-L74 VanDerWaalsContact CA-O 3.29Å; E41-L74 WeakPolarHBondContact CA-O 3.22Å; I42-L74 PolarHBondContact N-O 3.49Å; I42-L74 WeakPolarHBondContact O-CB 3.38Å; I42-L74 PolarHBondContact O-N 3.21Å; M44-L74 HydrophobicContact CB-CD1 3.82Å; M44-L74 HydrophobicContact CE-CD1 4.46Å; M44-L74 HydrophobicContact CG-CD1 4.41Å; M44-L74 HydrophobicContact SD-CD1 3.64Å; M69-L74 HydrophobicContact CE-CD1 3.56Å; M69-L74 HydrophobicContact CE-CD2 4.09Å; M69-L74 HydrophobicContact CE-CG 4.48Å; M69-L74 HydrophobicContact SD-CD1 4.46Å; M69-L74 HydrophobicContact SD-CD2 4.03Å; L74-V76 HydrophobicContact CB-CG2 4.03Å
75G98.8Very high97.8Very high1 Ų119.7 Ų19.71%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-93.7110.5165.100000108.3I10 L11 Q16 Y77I10-G75 CarbonylContact C-O 3.53Å; I10-G75 VanDerWaalsContact CA-O 3.29Å; I10-G75 WeakPolarHBondContact CA-O 3.46Å; L11-G75 PolarHBondContact N-O 3.04Å; L11-G75 PolarHBondContact O-N 3.43Å; Q16-G75 VanDerWaalsContact CD-N 3.26Å; Q16-G75 VanDerWaalsContact CG-N 3.3Å; G75-Y77 VanDerWaalsContact C-CE2 3.49Å; G75-Y77 WeakPolarHBondContact O-CD2 3.39Å; G75-Y77 WeakPolarHBondContact O-CE2 3.46Å
76V98.8Very high97.8Very high0 Ų022.1 Ų22.10%013%0.132CC..EExtended strand (participates in β ladder)trans-107.2118-178-173.60000108.4L8 I10 N39 E40 I42 L74 F137 F138L8-V76 HydrophobicContact CD1-CG1 3.61Å; L8-V76 HydrophobicContact CG-CG1 4.37Å; I10-V76 HydrophobicContact CG2-CG2 4.27Å; N39-V76 CarbonylContact C-O 3.57Å; N39-V76 WeakPolarHBondContact CA-O 3.48Å; E40-V76 PolarHBondContact N-O 2.92Å; E40-V76 PolarHBondContact O-N 3.05Å; I42-V76 HydrophobicContact CB-CG2 4.31Å; I42-V76 HydrophobicContact CD1-CB 4.13Å; I42-V76 HydrophobicContact CD1-CG2 3.91Å; I42-V76 HydrophobicContact CG1-CG2 4.29Å; L74-V76 HydrophobicContact CB-CG2 4.03Å; V76-F137 HydrophobicContact CG1-CB 3.97Å; V76-F137 HydrophobicContact CG1-CD1 4.07Å; V76-F137 HydrophobicContact CG1-CD2 4.11Å; V76-F137 HydrophobicContact CG1-CG 3.78Å; V76-F137 HydrophobicContact CG2-CD1 4.04Å; V76-F137 HydrophobicContact CG2-CE1 4.09Å; V76-F138 HydrophobicContact CB-CE2 4.4Å; V76-F138 HydrophobicContact CB-CZ 3.94Å; V76-F138 HydrophobicContact CG1-CE2 3.62Å; V76-F138 HydrophobicContact CG1-CZ 3.65Å
77Y98.8Very high97.8Very high6 Ų624 Ų242%0.02414%0.144CC..EExtended strand (participates in β ladder)trans-121.4139.6-173-60.3-110.3000110A9 L11 E26 M29 I36 H38 N39 G75A9-Y77 PolarHBondContact N-O 3.15Å; A9-Y77 PolarHBondContact O-N 3.29Å; L11-Y77 HydrophobicContact CD1-CD2 4.02Å; L11-Y77 HydrophobicContact CD1-CE2 3.79Å; L11-Y77 HydrophobicContact CD2-CE2 4.13Å; L11-Y77 HydrophobicContact CG-CE2 4.37Å; E26-Y77 HydrophobicContact CG-CE1 4.19Å; E26-Y77 PolarHBondContact OE1-OH 2.91Å; M29-Y77 HydrophobicContact CE-CG 4.48Å; I36-Y77 HydrophobicContact CD1-CD1 4.16Å; I36-Y77 HydrophobicContact CD1-CE1 4.27Å; I36-Y77 HydrophobicContact CG1-CD1 4.35Å; I36-Y77 HydrophobicContact CG2-CD1 3.94Å; H38-Y77 WeakPolarHBondContact O-CA 3.34Å; N39-Y77 HydrophobicContact CB-CD1 3.39Å; N39-Y77 HydrophobicContact CB-CE1 3.69Å; N39-Y77 HydrophobicContact CB-CG 3.83Å; N39-Y77 WeakPolarHBondContact ND2-CE1 3.42Å; G75-Y77 VanDerWaalsContact C-CE2 3.49Å; G75-Y77 WeakPolarHBondContact O-CD2 3.39Å; G75-Y77 WeakPolarHBondContact O-CE2 3.46Å
78I98.5Very high97.9Very high0 Ų020.4 Ų20.40%013%0.125CC..EExtended strand (participates in β ladder)trans-98.4115.5162.9-54.5-178.7000107I6 I37 H38 I134 F138 F141I6-I78 HydrophobicContact CB-CG2 4.4Å; I37-I78 HydrophobicContact CB-CB 4.47Å; I37-I78 HydrophobicContact CB-CG2 4.31Å; I37-I78 PolarHBondContact N-O 3.37Å; H38-I78 HydrophobicContact CB-CB 4.25Å; H38-I78 HydrophobicContact CB-CD1 3.98Å; H38-I78 HydrophobicContact CB-CG1 4.19Å; H38-I78 PolarHBondContact O-N 3.2Å; I78-I134 HydrophobicContact CD1-CG2 3.68Å; I78-I134 HydrophobicContact CG1-CG1 4.27Å; I78-I134 HydrophobicContact CG1-CG2 4.32Å; I78-I134 HydrophobicContact CG2-CD1 3.99Å; I78-F138 HydrophobicContact CD1-CD2 3.67Å; I78-F138 HydrophobicContact CD1-CE2 4.11Å; I78-F138 HydrophobicContact CD1-CG 4.46Å; I78-F138 HydrophobicContact CG1-CD2 3.89Å; I78-F138 HydrophobicContact CG1-CE2 3.85Å; I78-F141 HydrophobicContact CD1-CB 4.36Å; I78-F141 HydrophobicContact CD1-CD1 3.58Å; I78-F141 HydrophobicContact CD1-CD2 3.6Å; I78-F141 HydrophobicContact CD1-CE1 3.59Å; I78-F141 HydrophobicContact CD1-CE2 3.62Å; I78-F141 HydrophobicContact CD1-CG 3.56Å; I78-F141 HydrophobicContact CD1-CZ 3.6Å; I78-F141 HydrophobicContact CG2-CE1 4.14Å; I78-F141 HydrophobicContact CG2-CZ 4.09Å
79L98.5Very high97.9Very high0 Ų024.8 Ų24.80%014%0.141CC..EExtended strand (participates in β ladder)trans-103.5139.3176.8-54.3-178.7000109.8I6 T7 A9 M29 L34 Q35 I36 W88I6-L79 CarbonylContact C-O 3.59Å; I6-L79 WeakPolarHBondContact CA-O 3.33Å; T7-L79 HydrophobicContact CG2-CB 3.94Å; T7-L79 HydrophobicContact CG2-CD1 4.44Å; T7-L79 PolarHBondContact N-O 3.3Å; T7-L79 PolarHBondContact O-N 2.9Å; A9-L79 HydrophobicContact CB-CD1 3.7Å; A9-L79 HydrophobicContact CB-CG 4.03Å; M29-L79 HydrophobicContact CE-CD1 4.06Å; M29-L79 HydrophobicContact CE-CD2 4.36Å; M29-L79 HydrophobicContact CG-CD1 4.06Å; M29-L79 HydrophobicContact CG-CD2 4.35Å; M29-L79 HydrophobicContact SD-CD1 4.18Å; M29-L79 HydrophobicContact SD-CD2 3.77Å; L34-L79 HydrophobicContact CB-CB 4.43Å; L34-L79 HydrophobicContact CB-CD1 4.42Å; L34-L79 HydrophobicContact CD1-CD1 3.88Å; Q35-L79 CarbonylContact O-C 3.52Å; Q35-L79 VanDerWaalsContact O-CA 3.3Å; Q35-L79 WeakPolarHBondContact O-CA 3.44Å; I36-L79 HydrophobicContact CB-CD2 4.43Å; I36-L79 HydrophobicContact CG1-CD2 3.75Å; L79-W88 HydrophobicContact CD1-CD2 4.07Å; L79-W88 HydrophobicContact CD1-CE3 4.12Å; L79-W88 HydrophobicContact CD1-CG 4.24Å
80A97.2Very high97.9Very high1 Ų129 Ų291%0.00817%0.171CC..EExtended strand (participates in β ladder)trans-122.2147.8171.200000111.7Q5 I6 Q35 I37 I146Q5-A80 WeakPolarHBondContact O-CA 3.24Å; I6-A80 HydrophobicContact CG2-CB 3.9Å; Q35-A80 PolarHBondContact N-O 3.25Å; Q35-A80 PolarHBondContact O-N 3.38Å; I37-A80 HydrophobicContact CD1-CB 3.72Å; I37-A80 HydrophobicContact CG1-CB 3.5Å; A80-I146 HydrophobicContact CB-CG2 3.96Å
81G96.2Very high97.9Very high9 Ų929.1 Ų29.19%0.09317%0.171CC..EExtended strand (participates in β ladder)trans167.3176.8176.800000112.3Q5 N83 A84Q5-G81 PolarHBondContact N-O 2.97Å; Q5-G81 PolarHBondContact O-N 2.9Å; G81-N83 PolarHBondContact O-N 2.69Å; G81-A84 PolarHBondContact O-N 3.01Å
82N95.3Very high98Very high86 Ų8625.6 Ų25.646%0.4615%0.148SC..EExtended strand (participates in β ladder)trans-64.5123.1172.9-76.3-29.4000109.8A84N82-A84 PolarHBondContact O-N 3.17Å
83N96.2Very high98Very high66 Ų6625.7 Ų25.735%0.35315%0.148SC..THydrogen-bonded Turntrans52.736.7-178.6-48.8-49.9000113M3 G81 I85 S86 V87M3-N83 PolarHBondContact O-N 3.46Å; M3-N83 VanDerWaalsContact O-N 3.15Å; G81-N83 PolarHBondContact O-N 2.69Å; N83-I85 PolarHBondContact O-N 3.29Å; N83-S86 WeakPolarHBondContact CB-OG 3.37Å; N83-S86 PolarHBondContact O-N 2.78Å; N83-S86 PolarHBondContact O-OG 2.94Å; N83-S86 VanDerWaalsContact O-OG 3.12Å; N83-V87 HydrophobicContact CB-CG2 4.4Å; N83-V87 WeakPolarHBondContact O-CG2 3.25Å; N83-V87 PolarHBondContact O-N 3.05Å
84A97.7Very high97.9Very high0 Ų027.5 Ų27.50%016%0.16CC..Hα-helixtrans-48.9-35.8-170.800000114.2Q5 T7 L34 G81 N82 W88Q5-A84 HydrophobicContact CB-CB 4.01Å; Q5-A84 WeakPolarHBondContact O-CB 3.4Å; T7-A84 HydrophobicContact CG2-CB 4.15Å; L34-A84 HydrophobicContact CD2-CB 3.89Å; G81-A84 PolarHBondContact O-N 3.01Å; N82-A84 PolarHBondContact O-N 3.17Å; A84-W88 WeakPolarHBondContact O-CB 3.25Å; A84-W88 PolarHBondContact O-N 2.86Å
85I98.1Very high97.8Very high11 Ų1130.8 Ų30.86%0.05618%0.18CC..Hα-helixtrans-64.6-53.2179.6-60.4169.7000110.8N83 R89 S124 Q127 A130N83-I85 PolarHBondContact O-N 3.29Å; I85-R89 WeakPolarHBondContact O-CB 3.13Å; I85-R89 VanDerWaalsContact O-CG 3.24Å; I85-R89 WeakPolarHBondContact O-CG 3.42Å; I85-R89 PolarHBondContact O-N 2.92Å; I85-S124 WeakPolarHBondContact CG2-O 3.36Å; I85-Q127 HydrophobicContact CD1-CB 3.99Å; I85-A130 HydrophobicContact CD1-CB 4.39Å
86S97.8Very high97.6Very high67 Ų6735.5 Ų35.547%0.46920%0.2SC..Hα-helixtrans-71-36.8-178630000111.8N83 R89 S90N83-S86 WeakPolarHBondContact CB-OG 3.37Å; N83-S86 PolarHBondContact O-N 2.78Å; N83-S86 PolarHBondContact O-OG 2.94Å; N83-S86 VanDerWaalsContact O-OG 3.12Å; S86-R89 PolarHBondContact O-N 2.6Å; S86-S90 VanDerWaalsContact O-CB 3.29Å; S86-S90 WeakPolarHBondContact O-CB 3.2Å; S86-S90 PolarHBondContact O-N 2.89Å
87V98.3Very high97.5Very high41 Ų4135.7 Ų35.725%0.24820%0.202CC..Hα-helixtrans-61.2-51.7174.5176.10000110.2A32 L34 N83 R89 S90 L91A32-V87 HydrophobicContact CB-CG1 3.99Å; L34-V87 HydrophobicContact CD1-CG1 3.96Å; L34-V87 HydrophobicContact CD2-CB 4.2Å; L34-V87 HydrophobicContact CD2-CG1 4.02Å; L34-V87 HydrophobicContact CG-CG1 3.99Å; N83-V87 HydrophobicContact CB-CG2 4.4Å; N83-V87 WeakPolarHBondContact O-CG2 3.25Å; N83-V87 PolarHBondContact O-N 3.05Å; V87-R89 PolarHBondContact O-N 2.93Å; V87-S90 WeakPolarHBondContact O-CB 3.43Å; V87-S90 PolarHBondContact O-N 3.42Å; V87-L91 HydrophobicContact CG1-CD1 4.25Å; V87-L91 WeakPolarHBondContact O-CG 3.28Å; V87-L91 PolarHBondContact O-N 3.37Å
88W98.7Very high97.3Very high0 Ų041.9 Ų41.90%023%0.226CC..Hα-helixtrans-59.7-47.2178.8176.7-130.7000111.7T7 A9 V25 M29 L34 L79 A84 S90 L91 L92 L108 F121 H122T7-W88 HydrophobicContact CG2-CB 3.97Å; T7-W88 HydrophobicContact CG2-CG 4.31Å; A9-W88 HydrophobicContact CB-CD2 4.13Å; A9-W88 HydrophobicContact CB-CG 4.49Å; A9-W88 HydrophobicContact CB-CH2 4.41Å; A9-W88 HydrophobicContact CB-CZ2 3.56Å; A9-W88 VanDerWaalsContact CB-NE1 3.35Å; V25-W88 HydrophobicContact CG1-CH2 4.09Å; M29-W88 HydrophobicContact CE-CH2 3.57Å; M29-W88 HydrophobicContact CE-CZ2 4.17Å; M29-W88 HydrophobicContact CE-CZ3 3.77Å; M29-W88 HydrophobicContact CG-CZ3 4.07Å; L34-W88 HydrophobicContact CD1-CB 4.05Å; L34-W88 HydrophobicContact CD1-CE3 4.44Å; L79-W88 HydrophobicContact CD1-CD2 4.07Å; L79-W88 HydrophobicContact CD1-CE3 4.12Å; L79-W88 HydrophobicContact CD1-CG 4.24Å; A84-W88 WeakPolarHBondContact O-CB 3.25Å; A84-W88 PolarHBondContact O-N 2.86Å; W88-S90 VanDerWaalsContact C-N 3.28Å; W88-S90 PolarHBondContact O-N 2.84Å; W88-L91 HydrophobicContact CE3-CB 4.26Å; W88-L91 HydrophobicContact CE3-CD1 4.11Å; W88-L91 HydrophobicContact CZ3-CB 4.5Å; W88-L91 WeakPolarHBondContact O-CB 3.43Å; W88-L91 PolarHBondContact O-N 2.83Å; W88-L91 VanDerWaalsContact O-N 3.16Å; W88-L92 HydrophobicContact CD2-CD2 4.36Å; W88-L92 HydrophobicContact CD2-CG 4.16Å; W88-L92 HydrophobicContact CH2-CD2 3.64Å; W88-L92 HydrophobicContact CH2-CG 4.46Å; W88-L92 HydrophobicContact CZ2-CD1 4.3Å; W88-L92 HydrophobicContact CZ2-CD2 3.39Å; W88-L92 HydrophobicContact CZ2-CG 4.02Å; W88-L92 HydrophobicContact CZ3-CD2 4.22Å; W88-L92 WeakPolarHBondContact O-CG 3.45Å; W88-L92 PolarHBondContact O-N 3.43Å; W88-L108 HydrophobicContact CH2-CD1 3.48Å; W88-L108 VanDerWaalsContact CH2-CD1 3.48Å; W88-L108 HydrophobicContact CZ3-CD1 3.43Å; W88-L108 VanDerWaalsContact CZ3-CD1 3.43Å; W88-F121 HydrophobicContact CH2-CD1 4.24Å; W88-F121 HydrophobicContact CZ2-CD1 4.32Å; W88-H122 PolarHBondContact NE1-O 2.63Å
89R98.5Very high97.3Very high98 Ų9848.7 Ų48.737%0.3725%0.251SS..Hα-helixtrans-62.3-34.3177.6-70.7-179.571.381.5-3.6113.3I85 S86 V87 L92 G93 G123 S124I85-R89 WeakPolarHBondContact O-CB 3.13Å; I85-R89 VanDerWaalsContact O-CG 3.24Å; I85-R89 WeakPolarHBondContact O-CG 3.42Å; I85-R89 PolarHBondContact O-N 2.92Å; S86-R89 PolarHBondContact O-N 2.6Å; V87-R89 PolarHBondContact O-N 2.93Å; R89-L92 WeakPolarHBondContact O-CB 3.44Å; R89-L92 PolarHBondContact O-N 3.02Å; R89-G93 PolarHBondContact O-N 2.93Å; R89-G123 PolarHBondContact NH1-O 3.41Å; R89-S124 VanDerWaalsContact CD-O 3.31Å; R89-S124 WeakPolarHBondContact CD-O 3.48Å
90S98.3Very high97.2Very high90 Ų9048.8 Ų48.863%0.62925%0.252SS*.Hα-helixtrans-65.7-43.5174.6-179.80000111.2S86 V87 W88 L92 G93S86-S90 VanDerWaalsContact O-CB 3.29Å; S86-S90 WeakPolarHBondContact O-CB 3.2Å; S86-S90 PolarHBondContact O-N 2.89Å; V87-S90 WeakPolarHBondContact O-CB 3.43Å; V87-S90 PolarHBondContact O-N 3.42Å; W88-S90 VanDerWaalsContact C-N 3.28Å; W88-S90 PolarHBondContact O-N 2.84Å; S90-L92 VanDerWaalsContact C-N 3.26Å; S90-L92 PolarHBondContact O-N 3.26Å; S90-G93 PolarHBondContact O-N 3.43Å; S90-G93 VanDerWaalsContact O-N 3.17Å
91L98.7Very high97.2Very high41 Ų4151.8 Ų51.822%0.21527%0.27CS..Hα-helixtrans-62.4-34.2174.6-62.9167.1000112.3V28 A32 L34 V87 W88 G93 L108V28-L91 HydrophobicContact CG1-CB 4.36Å; V28-L91 HydrophobicContact CG1-CD1 4.14Å; V28-L91 HydrophobicContact CG1-CD2 3.79Å; V28-L91 HydrophobicContact CG1-CG 4.31Å; A32-L91 HydrophobicContact CB-CD1 3.56Å; A32-L91 HydrophobicContact CB-CD2 4.17Å; A32-L91 HydrophobicContact CB-CG 4.37Å; L34-L91 HydrophobicContact CD1-CD1 3.98Å; V87-L91 HydrophobicContact CG1-CD1 4.25Å; V87-L91 WeakPolarHBondContact O-CG 3.28Å; V87-L91 PolarHBondContact O-N 3.37Å; W88-L91 HydrophobicContact CE3-CB 4.26Å; W88-L91 HydrophobicContact CE3-CD1 4.11Å; W88-L91 HydrophobicContact CZ3-CB 4.5Å; W88-L91 WeakPolarHBondContact O-CB 3.43Å; W88-L91 PolarHBondContact O-N 2.83Å; W88-L91 VanDerWaalsContact O-N 3.16Å; L91-G93 VanDerWaalsContact C-N 3.34Å; L91-L108 HydrophobicContact CB-CD1 4.49Å; L91-L108 PolarHBondContact O-N 2.9Å
92L98.7Very high97.2Very high0 Ų055.9 Ų55.90%029%0.293CS..Hα-helixtrans-64.7-36.2175.8-68.9-174.2000112.9W88 R89 S90 L108 R109 F121W88-L92 HydrophobicContact CD2-CD2 4.36Å; W88-L92 HydrophobicContact CD2-CG 4.16Å; W88-L92 HydrophobicContact CH2-CD2 3.64Å; W88-L92 HydrophobicContact CH2-CG 4.46Å; W88-L92 HydrophobicContact CZ2-CD1 4.3Å; W88-L92 HydrophobicContact CZ2-CD2 3.39Å; W88-L92 HydrophobicContact CZ2-CG 4.02Å; W88-L92 HydrophobicContact CZ3-CD2 4.22Å; W88-L92 WeakPolarHBondContact O-CG 3.45Å; W88-L92 PolarHBondContact O-N 3.43Å; R89-L92 WeakPolarHBondContact O-CB 3.44Å; R89-L92 PolarHBondContact O-N 3.02Å; S90-L92 VanDerWaalsContact C-N 3.26Å; S90-L92 PolarHBondContact O-N 3.26Å; L92-L108 HydrophobicContact CD2-CB 4.25Å; L92-L108 HydrophobicContact CD2-CD1 4.05Å; L92-R109 WeakPolarHBondContact O-CB 3.48Å; L92-R109 WeakPolarHBondContact O-CD 3.38Å; L92-R109 WeakPolarHBondContact O-CG 3.28Å; L92-R109 PolarHBondContact O-N 3.14Å; L92-F121 HydrophobicContact CD1-CB 4.28Å; L92-F121 HydrophobicContact CD2-CB 3.3Å; L92-F121 HydrophobicContact CD2-CD1 4Å; L92-F121 HydrophobicContact CD2-CD2 4.07Å; L92-F121 HydrophobicContact CD2-CG 3.52Å; L92-F121 HydrophobicContact CG-CB 4.4Å
93G98.1Very high97.3Very high8 Ų860.2 Ų60.28%0.08230%0.304CS..  trans71.1179.5-169.600000113.2R89 S90 L91 R109R89-G93 PolarHBondContact O-N 2.93Å; S90-G93 PolarHBondContact O-N 3.43Å; S90-G93 VanDerWaalsContact O-N 3.17Å; L91-G93 VanDerWaalsContact C-N 3.34Å; G93-R109 WeakPolarHBondContact O-CD 3.38Å; G93-R109 PolarHBondContact O-NH1 2.99Å
94P96.7Very high97.4Very high52 Ų5261.1 Ų61.134%0.33831%0.306SS..  trans-59.7150.6-177.3-24.630.3000114.1K96 T100 E104 R109P94-K96 VanDerWaalsContact C-N 3.28Å; P94-K96 PolarHBondContact O-N 3.05Å; P94-T100 PolarHBondContact O-OG1 3.15Å; P94-E104 WeakPolarHBondContact CD-OE1 3.44Å; P94-E104 WeakPolarHBondContact CD-OE2 3.4Å; P94-E104 WeakPolarHBondContact CG-OE1 3.37Å; P94-R109 WeakPolarHBondContact O-CD 3.47Å
95T95.3Very high97.4Very high69 Ų6964 Ų6442%0.42333%0.325SS..SBendtrans-70.2-22.817952.80000113.6V97T95-V97 VanDerWaalsContact C-N 3.34Å; T95-V97 PolarHBondContact O-N 3.15Å
96K95.9Very high97.3Very high101 Ų10169.2 Ų69.244%0.43935%0.353SS..  trans-80.277.4-179.6-63.9-51.1-166.1-179.50111.1P94 Y98 R99 T100 D116P94-K96 VanDerWaalsContact C-N 3.28Å; P94-K96 PolarHBondContact O-N 3.05Å; K96-Y98 HydrophobicContact CB-CD1 4.3Å; K96-Y98 HydrophobicContact CB-CE1 3.92Å; K96-Y98 HydrophobicContact CD-CE1 4.16Å; K96-Y98 HydrophobicContact CG-CE1 4.37Å; K96-Y98 PolarHBondContact O-N 2.88Å; K96-Y98 VanDerWaalsContact O-N 3.14Å; K96-R99 WeakPolarHBondContact O-CA 3.2Å; K96-R99 PolarHBondContact O-N 3.11Å; K96-T100 PolarHBondContact O-N 3.39Å; K96-T100 PolarHBondContact O-OG1 3.23Å; K96-D116 WeakPolarHBondContact CA-OD1 3.26Å; K96-D116 WeakPolarHBondContact CD-OD2 3.44Å; K96-D116 IonicContact NZ-OD2 2.85Å; K96-D116 PolarHBondContact NZ-OD2 3.01Å
97V96.4Very high97.4Very high4 Ų466.7 Ų66.72%0.02434%0.335CS..Hα-helixtrans-51-42.3-172.4172.20000112T95 R99 T100 V101 G113 T115 D116 N119T95-V97 VanDerWaalsContact C-N 3.34Å; T95-V97 PolarHBondContact O-N 3.15Å; V97-R99 PolarHBondContact O-N 3.43Å; V97-R99 VanDerWaalsContact O-N 3.08Å; V97-T100 PolarHBondContact O-N 3.29Å; V97-V101 HydrophobicContact CG1-CG1 3.93Å; V97-V101 WeakPolarHBondContact O-CG1 3.45Å; V97-V101 WeakPolarHBondContact O-CG2 3.44Å; V97-V101 PolarHBondContact O-N 3.05Å; V97-G113 VanDerWaalsContact CG1-C 3.48Å; V97-G113 WeakPolarHBondContact CG1-O 3.23Å; V97-T115 WeakPolarHBondContact CG2-O 3.19Å; V97-D116 PolarHBondContact N-OD1 3.24Å; V97-N119 HydrophobicContact CG2-CB 3.51Å
98Y95.1Very high97.4Very high135 Ų13564.8 Ų64.853%0.52932%0.324SS..Hα-helixtrans-58.7-25.5179.777.6-88.1000113.8K96K96-Y98 HydrophobicContact CB-CD1 4.3Å; K96-Y98 HydrophobicContact CB-CE1 3.92Å; K96-Y98 HydrophobicContact CD-CE1 4.16Å; K96-Y98 HydrophobicContact CG-CE1 4.37Å; K96-Y98 PolarHBondContact O-N 2.88Å; K96-Y98 VanDerWaalsContact O-N 3.14Å
99R96.6Very high97.4Very high143 Ų14365.4 Ų65.454%0.5433%0.326SS..Hα-helixtrans-91.9-42.1170.3-62.2-164.7179.6-154.2-3.2111.6K96 V97 V101 V102 Y103K96-R99 WeakPolarHBondContact O-CA 3.2Å; K96-R99 PolarHBondContact O-N 3.11Å; V97-R99 PolarHBondContact O-N 3.43Å; V97-R99 VanDerWaalsContact O-N 3.08Å; R99-V101 VanDerWaalsContact C-N 3.25Å; R99-V101 PolarHBondContact O-N 3.26Å; R99-V102 PolarHBondContact O-N 2.91Å; R99-Y103 HydrophobicContact CB-CD2 4.03Å; R99-Y103 HydrophobicContact CB-CE2 4.3Å; R99-Y103 VanDerWaalsContact O-CD2 3.27Å; R99-Y103 WeakPolarHBondContact O-CD2 3.35Å; R99-Y103 PolarHBondContact O-N 2.92Å
100T97.1Very high97.4Very high2 Ų261.3 Ų61.31%0.01231%0.314CS..Hα-helixtrans-56.2-39.3-177.9-50.90000112.1P94 K96 V97 V102 E104 S107 R109P94-T100 PolarHBondContact O-OG1 3.15Å; K96-T100 PolarHBondContact O-N 3.39Å; K96-T100 PolarHBondContact O-OG1 3.23Å; V97-T100 PolarHBondContact O-N 3.29Å; T100-V102 PolarHBondContact O-N 3.38Å; T100-E104 HydrophobicContact CG2-CB 4.12Å; T100-E104 CarbonylContact O-C 3.05Å; T100-E104 WeakPolarHBondContact O-CA 3.44Å; T100-E104 PolarHBondContact O-N 3.45Å; T100-S107 WeakPolarHBondContact CG2-OG 3.46Å; T100-R109 HydrophobicContact CG2-CB 4.1Å
101V96.3Very high97.4Very high64 Ų6462.7 Ų62.739%0.38831%0.306SS..Hα-helixtrans-62.5-24.3177.1-62.20000113.3V97 R99V97-V101 HydrophobicContact CG1-CG1 3.93Å; V97-V101 WeakPolarHBondContact O-CG1 3.45Å; V97-V101 WeakPolarHBondContact O-CG2 3.44Å; V97-V101 PolarHBondContact O-N 3.05Å; R99-V101 VanDerWaalsContact C-N 3.25Å; R99-V101 PolarHBondContact O-N 3.26Å
102V96.9Very high97.3Very high96 Ų9662.2 Ų62.258%0.58230%0.302SS*.Hα-helixtrans-91.9-48.4179.3-178.50000111.2R99 T100R99-V102 PolarHBondContact O-N 2.91Å; T100-V102 PolarHBondContact O-N 3.38Å
103Y97.7Very high97.3Very high177 Ų17762.8 Ų62.869%0.69431%0.308SS*.Hα-helixtrans-96.1-26.5-168.9-61.3-68.9000114.2R99 P105R99-Y103 HydrophobicContact CB-CD2 4.03Å; R99-Y103 HydrophobicContact CB-CE2 4.3Å; R99-Y103 VanDerWaalsContact O-CD2 3.27Å; R99-Y103 WeakPolarHBondContact O-CD2 3.35Å; R99-Y103 PolarHBondContact O-N 2.92Å; Y103-P105 VanDerWaalsContact C-CD 3.42Å
104E97.8Very high97.2Very high84 Ų8467.3 Ų67.339%0.39333%0.33SS..  trans-134.152.6180-65.2-178.1-128.300111.1P94 T100 N106 S107P94-E104 WeakPolarHBondContact CD-OE1 3.44Å; P94-E104 WeakPolarHBondContact CD-OE2 3.4Å; P94-E104 WeakPolarHBondContact CG-OE1 3.37Å; T100-E104 HydrophobicContact CG2-CB 4.12Å; T100-E104 CarbonylContact O-C 3.05Å; T100-E104 WeakPolarHBondContact O-CA 3.44Å; T100-E104 PolarHBondContact O-N 3.45Å; E104-N106 PolarHBondContact O-N 3.31Å; E104-S107 WeakPolarHBondContact O-CB 3.12Å; E104-S107 PolarHBondContact O-N 2.9Å; E104-S107 PolarHBondContact O-OG 2.97Å
105P97.6Very high97.2Very high62 Ų6267.9 Ų67.940%0.40333%0.332SS..THydrogen-bonded Turntrans-62.5-17.4-174.326.4-36.1000113.4Y103 R111Y103-P105 VanDerWaalsContact C-CD 3.42Å; P105-R111 WeakPolarHBondContact O-CG 3.12Å
106N97.3Very high97.2Very high120 Ų12067 Ų6764%0.64233%0.325SS*.THydrogen-bonded Turntrans-83.8-16.8176.8-73.2-43000114E104 R111E104-N106 PolarHBondContact O-N 3.31Å; N106-R111 PolarHBondContact O-NE 3.25Å; N106-R111 PolarHBondContact OD1-NH2 3.33Å
107S98.6Very high97.1Very high13 Ų1363.1 Ų63.19%0.09131%0.309CS..SBendtrans-66.6160.3173.170.40000111.2T100 E104 R109 G110 R111T100-S107 WeakPolarHBondContact CG2-OG 3.46Å; E104-S107 WeakPolarHBondContact O-CB 3.12Å; E104-S107 PolarHBondContact O-N 2.9Å; E104-S107 PolarHBondContact O-OG 2.97Å; S107-R109 PolarHBondContact O-N 3.36Å; S107-G110 PolarHBondContact O-N 3.44Å; S107-G110 VanDerWaalsContact O-N 3.14Å; S107-G110 PolarHBondContact OG-N 3.35Å; S107-R111 WeakPolarHBondContact O-CG 3.29Å; S107-R111 PolarHBondContact O-N 3.16Å
108L98.8Very high97.1Very high2 Ų267.8 Ų67.81%0.0133%0.327CS..Hα-helixtrans-63.3-40.8-179.8-66.7178.4000112.2Y24 V25 V28 W88 L91 L92 G110 R111 F112 F121Y24-L108 HydrophobicContact CD1-CD2 4.32Å; Y24-L108 HydrophobicContact CE1-CD2 3.92Å; V25-L108 HydrophobicContact CG1-CD1 4.11Å; V25-L108 HydrophobicContact CG2-CD2 3.99Å; V28-L108 HydrophobicContact CG1-CD1 4.45Å; V28-L108 HydrophobicContact CG1-CD2 4.4Å; V28-L108 HydrophobicContact CG2-CD2 4.31Å; W88-L108 HydrophobicContact CH2-CD1 3.48Å; W88-L108 VanDerWaalsContact CH2-CD1 3.48Å; W88-L108 HydrophobicContact CZ3-CD1 3.43Å; W88-L108 VanDerWaalsContact CZ3-CD1 3.43Å; L91-L108 HydrophobicContact CB-CD1 4.49Å; L91-L108 PolarHBondContact O-N 2.9Å; L92-L108 HydrophobicContact CD2-CB 4.25Å; L92-L108 HydrophobicContact CD2-CD1 4.05Å; L108-G110 VanDerWaalsContact C-N 3.32Å; L108-R111 PolarHBondContact O-N 3.02Å; L108-F112 HydrophobicContact CD2-CD2 4.29Å; L108-F112 HydrophobicContact CD2-CE2 3.92Å; L108-F112 WeakPolarHBondContact O-CD2 3.24Å; L108-F112 PolarHBondContact O-N 3.18Å; L108-F121 HydrophobicContact CB-CD2 3.96Å; L108-F121 HydrophobicContact CB-CE1 4.31Å; L108-F121 HydrophobicContact CB-CE2 3.57Å; L108-F121 HydrophobicContact CB-CZ 3.76Å; L108-F121 HydrophobicContact CD1-CE1 4.22Å; L108-F121 HydrophobicContact CD1-CZ 4.42Å; L108-F121 HydrophobicContact CD2-CZ 4.44Å; L108-F121 HydrophobicContact CG-CZ 4.44Å; L108-F121 WeakPolarHBondContact O-CE2 3.47Å
109R98.6Very high97.2Very high13 Ų1361.9 Ų61.95%0.04930%0.304CS..Hα-helixtrans-69.7-30.3174-68.4172.8176.8145.2-0.5112.4L92 G93 P94 T100 S107 G113 N119 F121L92-R109 WeakPolarHBondContact O-CB 3.48Å; L92-R109 WeakPolarHBondContact O-CD 3.38Å; L92-R109 WeakPolarHBondContact O-CG 3.28Å; L92-R109 PolarHBondContact O-N 3.14Å; G93-R109 WeakPolarHBondContact O-CD 3.38Å; G93-R109 PolarHBondContact O-NH1 2.99Å; P94-R109 WeakPolarHBondContact O-CD 3.47Å; T100-R109 HydrophobicContact CG2-CB 4.1Å; S107-R109 PolarHBondContact O-N 3.36Å; R109-G113 VanDerWaalsContact O-CA 3.23Å; R109-G113 WeakPolarHBondContact O-CA 3.41Å; R109-G113 PolarHBondContact O-N 2.88Å; R109-N119 HydrophobicContact CG-CB 4.25Å; R109-N119 WeakPolarHBondContact CG-O 3.38Å; R109-F121 HydrophobicContact CG-CD2 4.17Å
110G98.2Very high97.3Very high11 Ų1155 Ų5511%0.11328%0.279CS..Hα-helixtrans-66.8-36.6172.200000112.7S107 L108S107-G110 PolarHBondContact O-N 3.44Å; S107-G110 VanDerWaalsContact O-N 3.14Å; S107-G110 PolarHBondContact OG-N 3.35Å; L108-G110 VanDerWaalsContact C-N 3.32Å
111R98.2Very high97.4Very high120 Ų12055 Ų5545%0.45328%0.278SS..Hα-helixtrans-80.8-41.5180-72.2-179.8174.9-96-7114.2Y24 P105 N106 S107 L108Y24-R111 WeakPolarHBondContact OH-CD 3.49Å; Y24-R111 VanDerWaalsContact OH-CZ 3.31Å; Y24-R111 PolarHBondContact OH-NE 2.77Å; P105-R111 WeakPolarHBondContact O-CG 3.12Å; N106-R111 PolarHBondContact O-NE 3.25Å; N106-R111 PolarHBondContact OD1-NH2 3.33Å; S107-R111 WeakPolarHBondContact O-CG 3.29Å; S107-R111 PolarHBondContact O-N 3.16Å; L108-R111 PolarHBondContact O-N 3.02Å
112F98.2Very high97.5Very high30 Ų3053.3 Ų53.313%0.13227%0.266CS..Hα-helixtrans-120.8-6.8-168.5-52.5-73.1000114.3V15 Y21 Y24 V25 L108 F121V15-F112 HydrophobicContact CG2-CB 3.97Å; V15-F112 HydrophobicContact CG2-CG 4.49Å; Y21-F112 HydrophobicContact CD1-CD1 4.44Å; Y21-F112 AromaticContact CD1-CE1 3.77Å; Y21-F112 HydrophobicContact CD1-CE1 3.77Å; Y21-F112 AromaticContact CD2-CD1 3.88Å; Y21-F112 HydrophobicContact CD2-CD1 3.88Å; Y21-F112 HydrophobicContact CD2-CE1 4Å; Y21-F112 HydrophobicContact CE1-CE1 4.15Å; Y21-F112 HydrophobicContact CE2-CD1 4.11Å; Y21-F112 HydrophobicContact CE2-CE1 4.36Å; Y21-F112 HydrophobicContact CG-CD1 4.06Å; Y21-F112 AromaticContact CG-CE1 3.7Å; Y21-F112 HydrophobicContact CG-CE1 3.7Å; Y24-F112 AromaticContact CD1-CE2 3.62Å; Y24-F112 HydrophobicContact CD1-CE2 3.62Å; Y24-F112 AromaticContact CD1-CZ 3.51Å; Y24-F112 HydrophobicContact CD1-CZ 3.51Å; Y24-F112 AromaticContact CE1-CE2 3.82Å; Y24-F112 HydrophobicContact CE1-CE2 3.82Å; Y24-F112 AromaticContact CE1-CZ 3.97Å; Y24-F112 HydrophobicContact CE1-CZ 3.97Å; Y24-F112 HydrophobicContact CG-CZ 4.19Å; V25-F112 HydrophobicContact CG2-CE2 4.17Å; L108-F112 HydrophobicContact CD2-CD2 4.29Å; L108-F112 HydrophobicContact CD2-CE2 3.92Å; L108-F112 WeakPolarHBondContact O-CD2 3.24Å; L108-F112 PolarHBondContact O-N 3.18Å; F112-F121 HydrophobicContact CB-CE2 3.96Å; F112-F121 HydrophobicContact CB-CZ 4.23Å; F112-F121 AromaticContact CD2-CE2 3.93Å; F112-F121 HydrophobicContact CD2-CE2 3.93Å; F112-F121 AromaticContact CD2-CZ 3.63Å; F112-F121 HydrophobicContact CD2-CZ 3.63Å; F112-F121 HydrophobicContact CE2-CZ 4.4Å; F112-F121 HydrophobicContact CG-CE2 4.39Å; F112-F121 HydrophobicContact CG-CZ 4.26Å
113G97.7Very high97.5Very high12 Ų1249 Ų4912%0.12424%0.24CC..  trans-69.3132.9178.800000111.5V97 R109V97-G113 VanDerWaalsContact CG1-C 3.48Å; V97-G113 WeakPolarHBondContact CG1-O 3.23Å; R109-G113 VanDerWaalsContact O-CA 3.23Å; R109-G113 WeakPolarHBondContact O-CA 3.41Å; R109-G113 PolarHBondContact O-N 2.88Å
114L97Very high97.5Very high104 Ų10440.5 Ų40.555%0.54521%0.207SC..  trans-99.3-42.7175-57.7-180000111.8D14 R118D14-L114 HydrophobicContact CB-CD1 4.42Å; D14-L114 WeakPolarHBondContact OD2-CD1 3.14Å; L114-R118 HydrophobicContact CB-CB 4.14Å; L114-R118 PolarHBondContact N-O 2.94Å
115T96.2Very high97.5Very high63 Ų6341.1 Ų41.139%0.38721%0.213SC..SBendtrans-148.2169.9176.872.70000110.2V97 T117 R118 N119V97-T115 WeakPolarHBondContact CG2-O 3.19Å; T115-T117 PolarHBondContact O-N 3.42Å; T115-T117 VanDerWaalsContact O-N 3.14Å; T115-T117 PolarHBondContact OG1-N 3.01Å; T115-T117 PolarHBondContact OG1-OG1 3.12Å; T115-R118 PolarHBondContact N-O 3.02Å; T115-R118 CarbonylContact O-C 3.01Å; T115-R118 PolarHBondContact O-N 3.49Å; T115-R118 VanDerWaalsContact O-N 3.07Å; T115-R118 WeakPolarHBondContact OG1-CB 3.31Å; T115-R118 PolarHBondContact OG1-N 3.02Å; T115-N119 PolarHBondContact O-N 3.03Å; T115-N119 VanDerWaalsContact O-N 3.12Å
116D94.4Very high97.5Very high50 Ų5040.2 Ų40.227%0.26721%0.208SC..SBendtrans-52.9-35.2175.8-768.7000113.3K96 V97 N119K96-D116 WeakPolarHBondContact CA-OD1 3.26Å; K96-D116 WeakPolarHBondContact CD-OD2 3.44Å; K96-D116 IonicContact NZ-OD2 2.85Å; K96-D116 PolarHBondContact NZ-OD2 3.01Å; V97-D116 PolarHBondContact N-OD1 3.24Å; D116-N119 PolarHBondContact O-ND2 3.12Å
117T93.9Very high97.4Very high20 Ų2037.8 Ų37.812%0.12319%0.193CC..SBendtrans-90.1-28176.956.10000112.9F61 R64 L65 H68 T115F61-T117 HydrophobicContact CB-CG2 3.77Å; R64-T117 HydrophobicContact CB-CG2 4.13Å; L65-T117 HydrophobicContact CD2-CG2 4.2Å; H68-T117 PolarHBondContact ND1-O 2.91Å; H68-T117 VanDerWaalsContact ND1-O 3.14Å; T115-T117 PolarHBondContact O-N 3.42Å; T115-T117 VanDerWaalsContact O-N 3.14Å; T115-T117 PolarHBondContact OG1-N 3.01Å; T115-T117 PolarHBondContact OG1-OG1 3.12Å
118R97.2Very high97.3Very high102 Ų10244.4 Ų44.439%0.38522%0.222SC..  trans-102.958.1173.6-63.4-178.168.2178.97.1110.9D14 L114 T115 G120D14-R118 IonicContact OD1-CZ 3.97Å; D14-R118 IonicContact OD1-NE 2.69Å; D14-R118 IonicContact OD1-NH2 3.93Å; D14-R118 PolarHBondContact OD1-NH2 3.23Å; D14-R118 IonicContact OD2-CZ 3.23Å; D14-R118 VanDerWaalsContact OD2-CZ 3.23Å; D14-R118 IonicContact OD2-NE 2.78Å; D14-R118 PolarHBondContact OD2-NE 3Å; D14-R118 IonicContact OD2-NH2 2.94Å; D14-R118 PolarHBondContact OD2-NH2 3.42Å; L114-R118 HydrophobicContact CB-CB 4.14Å; L114-R118 PolarHBondContact N-O 2.94Å; T115-R118 PolarHBondContact N-O 3.02Å; T115-R118 CarbonylContact O-C 3.01Å; T115-R118 PolarHBondContact O-N 3.49Å; T115-R118 VanDerWaalsContact O-N 3.07Å; T115-R118 WeakPolarHBondContact OG1-CB 3.31Å; T115-R118 PolarHBondContact OG1-N 3.02Å; R118-G120 VanDerWaalsContact C-N 3.3Å; R118-G120 PolarHBondContact O-N 3.24Å
119N97.4Very high97.2Very high11 Ų1145.8 Ų45.86%0.05923%0.232CC..  trans-89.79.6-1766510.7000113.7K12 V97 R109 T115 D116 F121K12-N119 PolarHBondContact NZ-OD1 2.83Å; V97-N119 HydrophobicContact CG2-CB 3.51Å; R109-N119 HydrophobicContact CG-CB 4.25Å; R109-N119 WeakPolarHBondContact CG-O 3.38Å; T115-N119 PolarHBondContact O-N 3.03Å; T115-N119 VanDerWaalsContact O-N 3.12Å; D116-N119 PolarHBondContact O-ND2 3.12Å; N119-F121 VanDerWaalsContact O-CD2 3.26Å; N119-F121 WeakPolarHBondContact O-CD2 3.44Å; N119-F121 PolarHBondContact O-N 3.48Å; N119-F121 PolarHBondContact OD1-N 3.35Å; N119-F121 PolarHBondContact OD1-O 3.05Å
120G97.9Very high97.2Very high0 Ų045.1 Ų45.10%023%0.23CC..SBendtrans75-20.7177.300000116.6K12 R118K12-G120 WeakPolarHBondContact CB-O 3.44Å; K12-G120 PolarHBondContact N-O 2.99Å; R118-G120 VanDerWaalsContact C-N 3.3Å; R118-G120 PolarHBondContact O-N 3.24Å
121F98.7Very high97.1Very high1 Ų147.7 Ų47.70%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-145.7153.8-166.6-52.6-85.4000116I10 L11 V15 V25 W88 L92 L108 R109 F112 N119I10-F121 CarbonylContact O-C 3.53Å; I10-F121 VanDerWaalsContact O-CA 3.22Å; I10-F121 WeakPolarHBondContact O-CA 3.19Å; L11-F121 HydrophobicContact CD1-CD1 4.21Å; L11-F121 HydrophobicContact CD1-CE1 4.3Å; L11-F121 HydrophobicContact CG-CD1 4.17Å; L11-F121 HydrophobicContact CG-CE1 3.96Å; V15-F121 HydrophobicContact CB-CE1 4.39Å; V15-F121 HydrophobicContact CB-CZ 4.32Å; V15-F121 HydrophobicContact CG1-CE1 3.83Å; V15-F121 HydrophobicContact CG1-CZ 3.84Å; V15-F121 HydrophobicContact CG2-CE1 4.12Å; V15-F121 HydrophobicContact CG2-CE2 4.01Å; V15-F121 HydrophobicContact CG2-CZ 3.67Å; V25-F121 HydrophobicContact CG1-CE1 4.16Å; V25-F121 HydrophobicContact CG2-CE1 3.74Å; V25-F121 HydrophobicContact CG2-CZ 3.93Å; W88-F121 HydrophobicContact CH2-CD1 4.24Å; W88-F121 HydrophobicContact CZ2-CD1 4.32Å; L92-F121 HydrophobicContact CD1-CB 4.28Å; L92-F121 HydrophobicContact CD2-CB 3.3Å; L92-F121 HydrophobicContact CD2-CD1 4Å; L92-F121 HydrophobicContact CD2-CD2 4.07Å; L92-F121 HydrophobicContact CD2-CG 3.52Å; L92-F121 HydrophobicContact CG-CB 4.4Å; L108-F121 HydrophobicContact CB-CD2 3.96Å; L108-F121 HydrophobicContact CB-CE1 4.31Å; L108-F121 HydrophobicContact CB-CE2 3.57Å; L108-F121 HydrophobicContact CB-CZ 3.76Å; L108-F121 HydrophobicContact CD1-CE1 4.22Å; L108-F121 HydrophobicContact CD1-CZ 4.42Å; L108-F121 HydrophobicContact CD2-CZ 4.44Å; L108-F121 HydrophobicContact CG-CZ 4.44Å; L108-F121 WeakPolarHBondContact O-CE2 3.47Å; R109-F121 HydrophobicContact CG-CD2 4.17Å; F112-F121 HydrophobicContact CB-CE2 3.96Å; F112-F121 HydrophobicContact CB-CZ 4.23Å; F112-F121 AromaticContact CD2-CE2 3.93Å; F112-F121 HydrophobicContact CD2-CE2 3.93Å; F112-F121 AromaticContact CD2-CZ 3.63Å; F112-F121 HydrophobicContact CD2-CZ 3.63Å; F112-F121 HydrophobicContact CE2-CZ 4.4Å; F112-F121 HydrophobicContact CG-CE2 4.39Å; F112-F121 HydrophobicContact CG-CZ 4.26Å; N119-F121 VanDerWaalsContact O-CD2 3.26Å; N119-F121 WeakPolarHBondContact O-CD2 3.44Å; N119-F121 PolarHBondContact O-N 3.48Å; N119-F121 PolarHBondContact OD1-N 3.35Å; N119-F121 PolarHBondContact OD1-O 3.05Å
122H98.4Very high97.1Very high29 Ų2949.6 Ų49.613%0.13425%0.249CC..EExtended strand (participates in β ladder)trans-120.3149.7164.3-175.777.8000110.6I10 F52 W88 E133I10-H122 HydrophobicContact CB-CB 3.73Å; I10-H122 HydrophobicContact CD1-CB 3.92Å; I10-H122 HydrophobicContact CG1-CB 3.9Å; I10-H122 PolarHBondContact N-O 3.42Å; I10-H122 PolarHBondContact O-N 2.98Å; F52-H122 AromaticContact CZ-CD2 3.87Å; F52-H122 AromaticContact CZ-CE1 3.66Å; F52-H122 AromaticContact CZ-ND1 4Å; F52-H122 AromaticContact CZ-NE2 3.6Å; W88-H122 PolarHBondContact NE1-O 2.63Å; H122-E133 IonicContact CD2-OE2 3.61Å; H122-E133 IonicContact CE1-OE1 3.41Å; H122-E133 PolarHBondContact CE1-OE1 3.03Å; H122-E133 IonicContact NE2-OE1 2.93Å; H122-E133 PolarHBondContact NE2-OE1 2.7Å; H122-E133 IonicContact NE2-OE2 2.93Å; H122-E133 PolarHBondContact NE2-OE2 3.17Å
123G98.3Very high97.1Very high4 Ų449.5 Ų49.54%0.04125%0.25CC..EExtended strand (participates in β ladder)trans-153.9127.8169.500000109.4L8 R89L8-G123 WeakPolarHBondContact O-CA 3.46Å; R89-G123 PolarHBondContact NH1-O 3.41Å
124S98.3Very high97.1Very high0 Ų049 Ų490%024%0.244CC..  trans-52.8147.5179.6-39.60000110.8L8 I85 R89 A130 E133L8-S124 WeakPolarHBondContact CB-OG 2.95Å; L8-S124 PolarHBondContact N-OG 2.71Å; L8-S124 PolarHBondContact O-N 2.78Å; I85-S124 WeakPolarHBondContact CG2-O 3.36Å; R89-S124 VanDerWaalsContact CD-O 3.31Å; R89-S124 WeakPolarHBondContact CD-O 3.48Å; S124-A130 WeakPolarHBondContact OG-CA 3.48Å; S124-E133 WeakPolarHBondContact CB-OE2 3.37Å; S124-E133 PolarHBondContact OG-OE2 2.85Å
125D96.9Very high97.1Very high97 Ų9749.9 Ų49.952%0.51924%0.243SC..SBendtrans-98.1-14.5-177.264.7-6.6000114.4S129D125-S129 WeakPolarHBondContact OD1-CB 3.25Å; D125-S129 PolarHBondContact OD1-OG 2.99Å
126S97Very high97.2Very high42 Ų4249.3 Ų49.329%0.29424%0.236SC..SBendtrans-149.8167179.575.70000110.9E128 S129 A130S126-E128 VanDerWaalsContact C-N 3.31Å; S126-S129 PolarHBondContact O-N 2.93Å; S126-S129 WeakPolarHBondContact OG-CB 3.24Å; S126-S129 PolarHBondContact OG-N 2.99Å; S126-S129 PolarHBondContact OG-OG 2.96Å; S126-A130 WeakPolarHBondContact O-CB 3.36Å; S126-A130 PolarHBondContact O-N 3.08Å
127Q95.3Very high97.4Very high69 Ų6947.4 Ų47.432%0.32223%0.225SC..Hα-helixtrans-65.9-36.8176.5-178.2172.9-700111.8I85 A130 F131I85-Q127 HydrophobicContact CD1-CB 3.99Å; Q127-A130 PolarHBondContact O-N 3.17Å; Q127-F131 HydrophobicContact CG-CD2 4.34Å; Q127-F131 HydrophobicContact CG-CE1 4.46Å; Q127-F131 HydrophobicContact CG-CE2 3.87Å; Q127-F131 HydrophobicContact CG-CZ 3.95Å; Q127-F131 WeakPolarHBondContact O-CG 3.12Å; Q127-F131 PolarHBondContact O-N 3.01Å
128E96.3Very high97.6Very high152 Ų15247.1 Ų47.171%0.7122%0.222SC*.Hα-helixtrans-62.1-49.7174.5-174.7-176.7167.300110.9S126 A130 F131 K132S126-E128 VanDerWaalsContact C-N 3.31Å; E128-A130 VanDerWaalsContact C-N 3.32Å; E128-A130 PolarHBondContact O-N 3.17Å; E128-F131 PolarHBondContact O-N 2.82Å; E128-K132 WeakPolarHBondContact O-CB 3.48Å; E128-K132 PolarHBondContact O-N 3.04Å
129S97.5Very high97.6Very high31 Ų3145.6 Ų45.622%0.21723%0.225CC..Hα-helixtrans-59-44.6175.5-56.20000110.8D125 S126 F131 K132 E133D125-S129 WeakPolarHBondContact OD1-CB 3.25Å; D125-S129 PolarHBondContact OD1-OG 2.99Å; S126-S129 PolarHBondContact O-N 2.93Å; S126-S129 WeakPolarHBondContact OG-CB 3.24Å; S126-S129 PolarHBondContact OG-N 2.99Å; S126-S129 PolarHBondContact OG-OG 2.96Å; S129-F131 PolarHBondContact O-N 3.22Å; S129-K132 PolarHBondContact O-N 3.12Å; S129-E133 VanDerWaalsContact O-CB 3.24Å; S129-E133 WeakPolarHBondContact O-CB 3.41Å; S129-E133 WeakPolarHBondContact O-CG 3.17Å; S129-E133 PolarHBondContact O-N 3.14Å
130A97.8Very high97.5Very high0 Ų053 Ų530%027%0.265CS..Hα-helixtrans-57.1-48.3177.700000112.3I6 I85 S124 S126 Q127 E128 I134I6-A130 WeakPolarHBondContact O-CB 3.18Å; I85-A130 HydrophobicContact CD1-CB 4.39Å; S124-A130 WeakPolarHBondContact OG-CA 3.48Å; S126-A130 WeakPolarHBondContact O-CB 3.36Å; S126-A130 PolarHBondContact O-N 3.08Å; Q127-A130 PolarHBondContact O-N 3.17Å; E128-A130 VanDerWaalsContact C-N 3.32Å; E128-A130 PolarHBondContact O-N 3.17Å; A130-I134 VanDerWaalsContact O-CB 3.26Å; A130-I134 WeakPolarHBondContact O-CB 3.32Å; A130-I134 WeakPolarHBondContact O-CD1 3.25Å; A130-I134 WeakPolarHBondContact O-CG1 3.44Å; A130-I134 PolarHBondContact O-N 3.4Å
131F96.9Very high97.4Very high65 Ų6554.9 Ų54.929%0.28527%0.273SS..Hα-helixtrans-64.1-43.4177.5-68.8-23.3000112.7I6 Q127 E128 S129 I134 K135 C143 L147I6-F131 HydrophobicContact CD1-CD1 3.93Å; I6-F131 HydrophobicContact CD1-CE1 3.67Å; I6-F131 HydrophobicContact CG1-CD1 4.09Å; I6-F131 HydrophobicContact CG1-CE1 3.71Å; Q127-F131 HydrophobicContact CG-CD2 4.34Å; Q127-F131 HydrophobicContact CG-CE1 4.46Å; Q127-F131 HydrophobicContact CG-CE2 3.87Å; Q127-F131 HydrophobicContact CG-CZ 3.95Å; Q127-F131 WeakPolarHBondContact O-CG 3.12Å; Q127-F131 PolarHBondContact O-N 3.01Å; E128-F131 PolarHBondContact O-N 2.82Å; S129-F131 PolarHBondContact O-N 3.22Å; F131-I134 PolarHBondContact O-N 2.72Å; F131-K135 VanDerWaalsContact O-CB 3.32Å; F131-K135 WeakPolarHBondContact O-CB 3.19Å; F131-K135 PolarHBondContact O-N 3.06Å; F131-C143 HydrophobicContact CD1-CB 3.84Å; F131-C143 HydrophobicContact CE1-CB 3.76Å; F131-L147 HydrophobicContact CE1-CD1 3.85Å; F131-L147 HydrophobicContact CZ-CD1 3.51Å
132K97.3Very high97.1Very high159 Ų15959.1 Ų59.169%0.69130%0.296SS*.Hα-helixtrans-64.2-44.1-179.5-160.8178.4-173.7178.30111.4E128 S129 F136E128-K132 WeakPolarHBondContact O-CB 3.48Å; E128-K132 PolarHBondContact O-N 3.04Å; S129-K132 PolarHBondContact O-N 3.12Å; K132-F136 WeakPolarHBondContact O-CB 3.27Å; K132-F136 PolarHBondContact O-N 3.43Å
133E98.4Very high96.7Very high29 Ų2958.6 Ų58.614%0.13630%0.295CS..Hα-helixtrans-69.1-42.6177.6-67174.2175.300111.9L8 F52 H122 S124 S129 K135 F136 F137L8-E133 HydrophobicContact CB-CB 4.22Å; L8-E133 HydrophobicContact CD2-CB 3.67Å; F52-E133 HydrophobicContact CE2-CB 4.38Å; F52-E133 HydrophobicContact CE2-CG 3.98Å; H122-E133 IonicContact CD2-OE2 3.61Å; H122-E133 IonicContact CE1-OE1 3.41Å; H122-E133 PolarHBondContact CE1-OE1 3.03Å; H122-E133 IonicContact NE2-OE1 2.93Å; H122-E133 PolarHBondContact NE2-OE1 2.7Å; H122-E133 IonicContact NE2-OE2 2.93Å; H122-E133 PolarHBondContact NE2-OE2 3.17Å; S124-E133 WeakPolarHBondContact CB-OE2 3.37Å; S124-E133 PolarHBondContact OG-OE2 2.85Å; S129-E133 VanDerWaalsContact O-CB 3.24Å; S129-E133 WeakPolarHBondContact O-CB 3.41Å; S129-E133 WeakPolarHBondContact O-CG 3.17Å; S129-E133 PolarHBondContact O-N 3.14Å; E133-K135 PolarHBondContact O-N 3.02Å; E133-F136 WeakPolarHBondContact O-CB 3.48Å; E133-F136 PolarHBondContact O-N 2.97Å; E133-F137 WeakPolarHBondContact O-CD2 3.23Å; E133-F137 PolarHBondContact O-N 3.48Å; E133-F137 VanDerWaalsContact O-N 3.13Å
134I98.3Very high96.1Very high0 Ų065.7 Ų65.70%033%0.327CS..Hα-helixtrans-59.8-46.5174.2-72.8166.4000110.4I6 L8 I78 A130 F131 F136 F137 F138 F141I6-I134 HydrophobicContact CB-CD1 4.36Å; I6-I134 HydrophobicContact CD1-CD1 3.65Å; I6-I134 HydrophobicContact CG1-CD1 3.85Å; L8-I134 HydrophobicContact CB-CG1 4.12Å; L8-I134 HydrophobicContact CD1-CG1 3.98Å; I78-I134 HydrophobicContact CD1-CG2 3.68Å; I78-I134 HydrophobicContact CG1-CG1 4.27Å; I78-I134 HydrophobicContact CG1-CG2 4.32Å; I78-I134 HydrophobicContact CG2-CD1 3.99Å; A130-I134 VanDerWaalsContact O-CB 3.26Å; A130-I134 WeakPolarHBondContact O-CB 3.32Å; A130-I134 WeakPolarHBondContact O-CD1 3.25Å; A130-I134 WeakPolarHBondContact O-CG1 3.44Å; A130-I134 PolarHBondContact O-N 3.4Å; F131-I134 PolarHBondContact O-N 2.72Å; I134-F136 VanDerWaalsContact C-N 3.26Å; I134-F136 PolarHBondContact O-N 3.07Å; I134-F137 PolarHBondContact O-N 3.14Å; I134-F138 WeakPolarHBondContact O-CA 3.17Å; I134-F138 PolarHBondContact O-N 3.3Å; I134-F141 HydrophobicContact CG2-CB 4.36Å; I134-F141 HydrophobicContact CG2-CD1 3.76Å; I134-F141 HydrophobicContact CG2-CE1 4.46Å; I134-F141 HydrophobicContact CG2-CG 4.32Å
135K97.7Very high95.6Very high124 Ų12468 Ų6854%0.53934%0.344SS..Hα-helixtrans-62.6-34.1177-170.471.5175-174.20112.1F131 E133 F138 P139F131-K135 VanDerWaalsContact O-CB 3.32Å; F131-K135 WeakPolarHBondContact O-CB 3.19Å; F131-K135 PolarHBondContact O-N 3.06Å; E133-K135 PolarHBondContact O-N 3.02Å; K135-F138 CarbonylContact O-C 3.5Å; K135-P139 WeakPolarHBondContact CE-O 3.27Å; K135-P139 PolarHBondContact NZ-O 2.94Å; K135-P139 WeakPolarHBondContact O-CA 3.36Å
136F98Very high94.9Very high50 Ų5064.6 Ų64.622%0.21933%0.325CS..Hα-helixtrans-64.5-40176.6173.7-90.4000112.8R48 V51 F52 K132 E133 I134R48-F136 HydrophobicContact CB-CZ 3.98Å; R48-F136 HydrophobicContact CG-CZ 4.44Å; R48-F136 PolarHBondContact NH2-O 2.94Å; R48-F136 VanDerWaalsContact O-CZ 3.32Å; R48-F136 WeakPolarHBondContact O-CZ 3.36Å; V51-F136 HydrophobicContact CB-CE2 4.16Å; V51-F136 HydrophobicContact CG1-CD2 4.35Å; V51-F136 HydrophobicContact CG1-CE2 3.7Å; F52-F136 HydrophobicContact CB-CE1 4.13Å; F52-F136 HydrophobicContact CB-CZ 4.14Å; F52-F136 AromaticContact CD2-CD1 4Å; F52-F136 HydrophobicContact CD2-CD1 4Å; F52-F136 HydrophobicContact CD2-CE1 4.02Å; F52-F136 HydrophobicContact CG-CE1 4.47Å; K132-F136 WeakPolarHBondContact O-CB 3.27Å; K132-F136 PolarHBondContact O-N 3.43Å; E133-F136 WeakPolarHBondContact O-CB 3.48Å; E133-F136 PolarHBondContact O-N 2.97Å; I134-F136 VanDerWaalsContact C-N 3.26Å; I134-F136 PolarHBondContact O-N 3.07Å
137F98Very high94.2Very high10 Ų1064.9 Ų64.94%0.04432%0.323CS..Hα-helixtrans-85.8-38.5178.2-75.8-77.8000113.1L8 I10 I42 M44 F52 V76 E133 I134 P139L8-F137 HydrophobicContact CD1-CD2 4.29Å; L8-F137 HydrophobicContact CD2-CD2 3.49Å; L8-F137 VanDerWaalsContact CD2-CD2 3.49Å; L8-F137 HydrophobicContact CD2-CE2 3.59Å; I10-F137 HydrophobicContact CD1-CE2 3.7Å; I10-F137 HydrophobicContact CD1-CZ 3.75Å; I42-F137 HydrophobicContact CD1-CD1 3.93Å; M44-F137 HydrophobicContact CE-CZ 4.4Å; M44-F137 HydrophobicContact SD-CE1 3.65Å; M44-F137 HydrophobicContact SD-CZ 3.83Å; F52-F137 AromaticContact CD2-CE2 3.79Å; F52-F137 HydrophobicContact CD2-CE2 3.79Å; F52-F137 HydrophobicContact CD2-CZ 4.13Å; F52-F137 AromaticContact CE2-CE2 3.53Å; F52-F137 HydrophobicContact CE2-CE2 3.53Å; F52-F137 HydrophobicContact CE2-CZ 4.17Å; F52-F137 HydrophobicContact CZ-CE2 4.22Å; V76-F137 HydrophobicContact CG1-CB 3.97Å; V76-F137 HydrophobicContact CG1-CD1 4.07Å; V76-F137 HydrophobicContact CG1-CD2 4.11Å; V76-F137 HydrophobicContact CG1-CG 3.78Å; V76-F137 HydrophobicContact CG2-CD1 4.04Å; V76-F137 HydrophobicContact CG2-CE1 4.09Å; E133-F137 WeakPolarHBondContact O-CD2 3.23Å; E133-F137 PolarHBondContact O-N 3.48Å; E133-F137 VanDerWaalsContact O-N 3.13Å; I134-F137 PolarHBondContact O-N 3.14Å; F137-P139 WeakPolarHBondContact O-CD 3.08Å
138F97.7Very high93.3Very high14 Ų1466.3 Ų66.36%0.06134%0.341CS..  trans-127.977.1-175.1-49.7-64.6000110.8L8 H38 E40 I42 V76 I78 I134 K135 N140 F141L8-F138 HydrophobicContact CD1-CE2 4.41Å; H38-F138 AromaticContact CD2-CD1 3.82Å; H38-F138 AromaticContact CD2-CE1 3.67Å; H38-F138 AromaticContact CD2-CZ 3.75Å; H38-F138 AromaticContact NE2-CD1 3.81Å; H38-F138 AromaticContact NE2-CE1 3.69Å; E40-F138 HydrophobicContact CB-CE1 3.93Å; E40-F138 HydrophobicContact CB-CZ 4.27Å; E40-F138 HydrophobicContact CG-CE1 3.88Å; I42-F138 HydrophobicContact CD1-CE1 4.1Å; I42-F138 HydrophobicContact CD1-CZ 4.38Å; V76-F138 HydrophobicContact CB-CE2 4.4Å; V76-F138 HydrophobicContact CB-CZ 3.94Å; V76-F138 HydrophobicContact CG1-CE2 3.62Å; V76-F138 HydrophobicContact CG1-CZ 3.65Å; I78-F138 HydrophobicContact CD1-CD2 3.67Å; I78-F138 HydrophobicContact CD1-CE2 4.11Å; I78-F138 HydrophobicContact CD1-CG 4.46Å; I78-F138 HydrophobicContact CG1-CD2 3.89Å; I78-F138 HydrophobicContact CG1-CE2 3.85Å; I134-F138 WeakPolarHBondContact O-CA 3.17Å; I134-F138 PolarHBondContact O-N 3.3Å; K135-F138 CarbonylContact O-C 3.5Å; F138-N140 PolarHBondContact O-N 3.03Å; F138-F141 HydrophobicContact CB-CB 3.76Å; F138-F141 WeakPolarHBondContact O-CB 3.44Å; F138-F141 PolarHBondContact O-N 3.37Å
139P96.6Very high91.5Very high70 Ų7066.1 Ų66.146%0.45534%0.344SS..THydrogen-bonded Turntrans-58.1-25.1-175.1-26.835.2000114.8K135 F137K135-P139 WeakPolarHBondContact CE-O 3.27Å; K135-P139 PolarHBondContact NZ-O 2.94Å; K135-P139 WeakPolarHBondContact O-CA 3.36Å; F137-P139 WeakPolarHBondContact O-CD 3.08Å
140N95.8Very high91.2Very high167 Ų16767.9 Ų67.989%0.89335%0.351SS*.THydrogen-bonded Turntrans-94-1.4-179.2-61.8-29.8000113.4F138F138-N140 PolarHBondContact O-N 3.03Å
141F95.5Very high90.8Very high40 Ų4071.4 Ų71.418%0.17537%0.369CS..  trans-75.2129.2179.7-169.8-95.3000111.1I6 I37 H38 I78 I134 F138 I146I6-F141 HydrophobicContact CD1-CE1 4.5Å; I37-F141 HydrophobicContact CG2-CE2 4.11Å; I37-F141 HydrophobicContact CG2-CZ 3.79Å; H38-F141 HydrophobicContact CB-CE2 4.17Å; I78-F141 HydrophobicContact CD1-CB 4.36Å; I78-F141 HydrophobicContact CD1-CD1 3.58Å; I78-F141 HydrophobicContact CD1-CD2 3.6Å; I78-F141 HydrophobicContact CD1-CE1 3.59Å; I78-F141 HydrophobicContact CD1-CE2 3.62Å; I78-F141 HydrophobicContact CD1-CG 3.56Å; I78-F141 HydrophobicContact CD1-CZ 3.6Å; I78-F141 HydrophobicContact CG2-CE1 4.14Å; I78-F141 HydrophobicContact CG2-CZ 4.09Å; I134-F141 HydrophobicContact CG2-CB 4.36Å; I134-F141 HydrophobicContact CG2-CD1 3.76Å; I134-F141 HydrophobicContact CG2-CE1 4.46Å; I134-F141 HydrophobicContact CG2-CG 4.32Å; F138-F141 HydrophobicContact CB-CB 3.76Å; F138-F141 WeakPolarHBondContact O-CB 3.44Å; F138-F141 PolarHBondContact O-N 3.37Å; F141-I146 HydrophobicContact CE1-CG1 4.09Å; F141-I146 HydrophobicContact CZ-CD1 4.31Å; F141-I146 HydrophobicContact CZ-CG1 3.71Å
142N93.1Very high90.5Very high90 Ų9071.8 Ų71.848%0.48137%0.374SS..  trans-95.396.5176.6-175.3-15000110.6E144 S145N142-E144 VanDerWaalsContact C-N 3.3Å; N142-E144 PolarHBondContact O-N 2.98Å; N142-E144 WeakPolarHBondContact OD1-CB 3.49Å; N142-E144 PolarHBondContact OD1-N 3.22Å; N142-S145 PolarHBondContact O-N 2.95Å; N142-S145 PolarHBondContact O-OG 3.08Å; N142-S145 PolarHBondContact OD1-N 3.27Å
143C89.8Confident90.1Very high18 Ų1866.6 Ų66.612%0.12236%0.355CS..SBendtrans-57.4-38.2178.4-640000113.7I6 F131 S145 I146I6-C143 HydrophobicContact CD1-CB 3.57Å; F131-C143 HydrophobicContact CD1-CB 3.84Å; F131-C143 HydrophobicContact CE1-CB 3.76Å; C143-S145 VanDerWaalsContact C-N 3.31Å; C143-S145 PolarHBondContact O-N 2.94Å; C143-I146 PolarHBondContact O-N 2.88Å
144E86.8Confident89.5Confident152 Ų15269 Ų6971%0.7137%0.369SS*.Hα-helixtrans-65.6-35.7-174.6-63.1177.7176.700111.8N142 I146 L147 S148N142-E144 VanDerWaalsContact C-N 3.3Å; N142-E144 PolarHBondContact O-N 2.98Å; N142-E144 WeakPolarHBondContact OD1-CB 3.49Å; N142-E144 PolarHBondContact OD1-N 3.22Å; E144-I146 PolarHBondContact O-N 3.14Å; E144-I146 VanDerWaalsContact O-N 3.12Å; E144-L147 PolarHBondContact O-N 3.05Å; E144-L147 VanDerWaalsContact O-N 3.12Å; E144-S148 PolarHBondContact O-N 3.03Å; E144-S148 PolarHBondContact O-OG 2.94Å
145S85.8Confident89Confident49 Ų4973.6 Ų73.634%0.34339%0.394SS..Hα-helixtrans-60.3-23.5178.772.30000114.1N142 C143 S148 N149N142-S145 PolarHBondContact O-N 2.95Å; N142-S145 PolarHBondContact O-OG 3.08Å; N142-S145 PolarHBondContact OD1-N 3.27Å; C143-S145 VanDerWaalsContact C-N 3.31Å; C143-S145 PolarHBondContact O-N 2.94Å; S145-S148 PolarHBondContact O-OG 2.88Å; S145-N149 PolarHBondContact O-ND2 3.06Å
146I84.1Confident88.3Confident26 Ų2670 Ų7013%0.13338%0.383CS..Hα-helixtrans-90.5-24.9-179.1-56.3-57.2000112R4 I6 I37 A80 F141 C143 E144R4-I146 WeakPolarHBondContact CD-O 3.2Å; R4-I146 PolarHBondContact NE-O 3.44Å; R4-I146 VanDerWaalsContact NE-O 3.1Å; I6-I146 HydrophobicContact CG2-CB 4.25Å; I6-I146 HydrophobicContact CG2-CG2 3.7Å; I37-I146 HydrophobicContact CD1-CG2 4.09Å; I37-I146 HydrophobicContact CG1-CG2 4.12Å; I37-I146 HydrophobicContact CG2-CD1 3.64Å; I37-I146 HydrophobicContact CG2-CG1 4.04Å; A80-I146 HydrophobicContact CB-CG2 3.96Å; F141-I146 HydrophobicContact CE1-CG1 4.09Å; F141-I146 HydrophobicContact CZ-CD1 4.31Å; F141-I146 HydrophobicContact CZ-CG1 3.71Å; C143-I146 PolarHBondContact O-N 2.88Å; E144-I146 PolarHBondContact O-N 3.14Å; E144-I146 VanDerWaalsContact O-N 3.12Å
147L82.3Confident87.6Confident48 Ų4871.5 Ų71.525%0.25140%0.396SS..Hα-helixtrans-86-19.2-176.2-64175.2000112.8R4 I6 F131 E144R4-L147 WeakPolarHBondContact O-CD2 3.07Å; I6-L147 HydrophobicContact CG2-CD2 4.04Å; F131-L147 HydrophobicContact CE1-CD1 3.85Å; F131-L147 HydrophobicContact CZ-CD1 3.51Å; E144-L147 PolarHBondContact O-N 3.05Å; E144-L147 VanDerWaalsContact O-N 3.12Å
148S74.9Confident86.7Confident98 Ų9876.7 Ų76.769%0.68543%0.425SS*.THydrogen-bonded Turntrans-83.9-2.7177.653.80000114.9E144 S145E144-S148 PolarHBondContact O-N 3.03Å; E144-S148 PolarHBondContact O-OG 2.94Å; S145-S148 PolarHBondContact O-OG 2.88Å
149N58.3Low85.7Confident148 Ų14882.4 Ų82.479%0.79146%0.458SS*.  trans-106.90179.1-69.6-62.7000112.4R4 S145R4-N149 WeakPolarHBondContact CD-OXT 3.37Å; R4-N149 VanDerWaalsContact CZ-OXT 3.25Å; R4-N149 PolarHBondContact NE-OXT 3.04Å; R4-N149 PolarHBondContact NH1-OXT 2.85Å; S145-N149 PolarHBondContact O-ND2 3.06Å

Retrieved 149 of 149 residues in 98.6 ms (Link to these results)

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