A0A5K4F8D5_SCHMA Loading...

UMP/CMP kinase

AlphaFold DB , UniProt , Accession A0A5K4F8D5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.2Confident95.8Very high174 Ų17431.5 Ų31.586%0.85716%0.156SC*.  0141.40-168.3174.9-166.300108T86M1-T86 HydrophobicContact CE-CG2 3.21Å; M1-T86 HydrophobicContact SD-CG2 3.74Å
2K92.4Very high95.7Very high105 Ų10529.8 Ų29.846%0.45715%0.149SC..  trans-111.7146.4173.6-67.1-169.6177-1600109.7P109 H110 I112K2-P109 WeakPolarHBondContact CE-O 3.29Å; K2-H110 CarbonylContact C-O 3.57Å; K2-H110 VanDerWaalsContact CA-O 3.23Å; K2-H110 WeakPolarHBondContact CA-O 3.46Å; K2-I112 HydrophobicContact CB-CD1 4.03Å; K2-I112 HydrophobicContact CB-CG1 3.86Å; K2-I112 HydrophobicContact CD-CD1 4.16Å; K2-I112 HydrophobicContact CD-CG1 3.71Å; K2-I112 HydrophobicContact CG-CG1 4.44Å
3F95.8Very high95.6Very high18 Ų1828.3 Ų28.38%0.07915%0.146CC..EExtended strand (participates in β ladder)trans-84.5130.4176.2-55.2-44.5000110.8T5 Y73 M76 K77 T86 F88 H110 T111 I112F3-T5 HydrophobicContact CB-CG2 4.49Å; F3-Y73 HydrophobicContact CE2-CE2 4.16Å; F3-M76 HydrophobicContact CD2-CB 3.79Å; F3-M76 HydrophobicContact CD2-CG 4.36Å; F3-M76 HydrophobicContact CD2-SD 3.92Å; F3-M76 HydrophobicContact CE2-CB 3.71Å; F3-M76 HydrophobicContact CZ-CB 4.41Å; F3-K77 HydrophobicContact CZ-CG 4.5Å; F3-T86 CarbonylContact C-O 3.57Å; F3-T86 HydrophobicContact CD1-CG2 4.01Å; F3-T86 HydrophobicContact CE1-CG2 4.26Å; F3-F88 HydrophobicContact CB-CD2 3.83Å; F3-F88 HydrophobicContact CB-CE2 3.9Å; F3-F88 AromaticContact CD1-CE2 3.73Å; F3-F88 HydrophobicContact CD1-CE2 3.73Å; F3-F88 HydrophobicContact CD2-CE2 4.37Å; F3-F88 HydrophobicContact CE1-CE2 4.35Å; F3-F88 HydrophobicContact CG-CD2 4.17Å; F3-F88 AromaticContact CG-CE2 3.74Å; F3-F88 HydrophobicContact CG-CE2 3.74Å; F3-H110 PolarHBondContact N-O 2.69Å; F3-T111 HydrophobicContact CB-CG2 4.34Å; F3-T111 CarbonylContact O-C 3.6Å; F3-T111 VanDerWaalsContact O-CA 3.25Å; F3-T111 WeakPolarHBondContact O-CA 3.26Å; F3-I112 PolarHBondContact O-N 3.4Å
4N96.7Very high95.7Very high34 Ų3426.4 Ų26.418%0.18214%0.136CC..EExtended strand (participates in β ladder)trans-73.5126.9168.5-67-44.9000108.4T86 N87 F88 K114N4-T86 PolarHBondContact N-O 2.9Å; N4-N87 WeakPolarHBondContact CB-OD1 3.5Å; N4-N87 PolarHBondContact ND2-OD1 3.23Å; N4-N87 WeakPolarHBondContact O-CA 3.31Å; N4-F88 PolarHBondContact O-N 3.08Å; N4-K114 HydrophobicContact CB-CG 3.9Å
5T97.9Very high95.8Very high0 Ų026.2 Ų26.20%014%0.144CC..EExtended strand (participates in β ladder)trans-124.5141.8-179.2580000111.3F3 M76 F88 W103 T111 I112 K114F3-T5 HydrophobicContact CB-CG2 4.49Å; T5-M76 HydrophobicContact CG2-CE 4.1Å; T5-M76 HydrophobicContact CG2-SD 4.41Å; T5-F88 CarbonylContact C-O 3.52Å; T5-F88 WeakPolarHBondContact CA-O 3.36Å; T5-F88 HydrophobicContact CG2-CB 4.45Å; T5-W103 HydrophobicContact CG2-CH2 4.07Å; T5-W103 HydrophobicContact CG2-CZ2 3.96Å; T5-T111 HydrophobicContact CG2-CG2 3.88Å; T5-I112 PolarHBondContact N-O 3.23Å; T5-I112 PolarHBondContact OG1-O 3.48Å; T5-K114 PolarHBondContact O-N 3.05Å
6C98.4Very high95.9Very high0 Ų025.9 Ų25.90%014%0.141CC..EExtended strand (participates in β ladder)trans-120.6125.2162.9-62.70000108.5F88 L89 V90 N115 I117C6-F88 PolarHBondContact N-O 2.87Å; C6-L89 HydrophobicContact CB-CD2 4.1Å; C6-V90 PolarHBondContact O-N 3.49Å; C6-N115 CarbonylContact C-O 3.58Å; C6-N115 VanDerWaalsContact CA-O 3.23Å; C6-N115 WeakPolarHBondContact CA-O 3.43Å; C6-N115 HydrophobicContact CB-CB 4.41Å; C6-I117 HydrophobicContact CB-CD1 4.04Å
7F98.8Very high95.9Very high0 Ų026.3 Ų26.30%015%0.152CC..EExtended strand (participates in β ladder)trans-75.1137.9169.7-62.8-39.7000109.2L9 V90 F93 P94 W103 L113 N115 V116 I117 Y163F7-L9 HydrophobicContact CB-CG 4.32Å; F7-V90 HydrophobicContact CD1-CB 3.84Å; F7-V90 HydrophobicContact CD1-CG1 3.93Å; F7-V90 HydrophobicContact CE1-CB 4.28Å; F7-V90 HydrophobicContact CE1-CG1 4.17Å; F7-F93 WeakPolarHBondContact CD1-O 3.44Å; F7-P94 HydrophobicContact CE2-CG 4.42Å; F7-W103 AromaticContact CE1-CD2 3.89Å; F7-W103 HydrophobicContact CE1-CD2 3.89Å; F7-W103 AromaticContact CE1-CE2 3.71Å; F7-W103 HydrophobicContact CE1-CE3 4.03Å; F7-W103 AromaticContact CE1-CH2 3.81Å; F7-W103 HydrophobicContact CE1-CH2 3.81Å; F7-W103 AromaticContact CE1-CZ2 3.68Å; F7-W103 HydrophobicContact CE1-CZ2 3.68Å; F7-W103 AromaticContact CE1-CZ3 3.98Å; F7-W103 HydrophobicContact CE1-CZ3 3.98Å; F7-W103 AromaticContact CZ-CD1 3.9Å; F7-W103 AromaticContact CZ-CD2 3.72Å; F7-W103 HydrophobicContact CZ-CD2 3.72Å; F7-W103 AromaticContact CZ-CE2 3.49Å; F7-W103 VanDerWaalsContact CZ-CE2 3.49Å; F7-W103 HydrophobicContact CZ-CE3 4.3Å; F7-W103 AromaticContact CZ-CG 4Å; F7-W103 HydrophobicContact CZ-CG 4Å; F7-W103 HydrophobicContact CZ-CH2 4.43Å; F7-W103 AromaticContact CZ-CZ2 3.89Å; F7-W103 HydrophobicContact CZ-CZ2 3.89Å; F7-W103 AromaticContact CZ-NE1 3.64Å; F7-L113 HydrophobicContact CD1-CD1 4.44Å; F7-L113 HydrophobicContact CD2-CD1 3.55Å; F7-L113 HydrophobicContact CD2-CD2 3.98Å; F7-L113 HydrophobicContact CD2-CG 4.45Å; F7-L113 HydrophobicContact CE2-CD1 3.66Å; F7-L113 HydrophobicContact CE2-CD2 3.73Å; F7-L113 HydrophobicContact CE2-CG 4.32Å; F7-L113 HydrophobicContact CG-CD1 3.95Å; F7-L113 HydrophobicContact CZ-CD1 4.15Å; F7-N115 PolarHBondContact N-O 3.4Å; F7-V116 HydrophobicContact CB-CG1 4.26Å; F7-V116 HydrophobicContact CB-CG2 4.32Å; F7-V116 HydrophobicContact CD2-CG2 3.93Å; F7-V116 CarbonylContact O-C 3.45Å; F7-I117 PolarHBondContact O-N 2.9Å; F7-Y163 HydrophobicContact CD2-CE2 4.17Å; F7-Y163 HydrophobicContact CE2-CE2 4.15Å; F7-Y163 AromaticContact CE2-CZ 3.93Å
8V98.8Very high95.9Very high0 Ų028.2 Ų28.20%016%0.164CC..EExtended strand (participates in β ladder)trans-118.6106.6174.9-170.90000108.2K16 L89 V90 D91 G92 I117 L119V8-K16 HydrophobicContact CG1-CB 4.01Å; V8-K16 HydrophobicContact CG1-CD 4.44Å; V8-K16 HydrophobicContact CG1-CG 4.1Å; V8-K16 WeakPolarHBondContact O-CD 3.42Å; V8-L89 HydrophobicContact CG2-CB 4.27Å; V8-L89 HydrophobicContact CG2-CD2 4.08Å; V8-V90 PolarHBondContact N-O 2.65Å; V8-D91 HydrophobicContact CB-CB 4.43Å; V8-G92 PolarHBondContact O-N 3.08Å; V8-I117 CarbonylContact C-O 3.49Å; V8-I117 WeakPolarHBondContact CA-O 3.37Å; V8-I117 HydrophobicContact CG2-CB 4.46Å; V8-I117 HydrophobicContact CG2-CD1 4.24Å; V8-L119 HydrophobicContact CG1-CD1 3.95Å
9L98.5Very high96Very high3 Ų326.8 Ų26.82%0.01616%0.156CC..EExtended strand (participates in β ladder)trans-118.3162.3-171.5-57-176.7000111.1F7 P94 V116 I117 V118 L119 I160F7-L9 HydrophobicContact CB-CG 4.32Å; L9-P94 WeakPolarHBondContact CD2-O 3.42Å; L9-V116 HydrophobicContact CD1-CG1 3.74Å; L9-V116 HydrophobicContact CG-CG1 4.27Å; L9-I117 PolarHBondContact N-O 3.4Å; L9-V118 HydrophobicContact CB-CG2 4.49Å; L9-V118 WeakPolarHBondContact O-CA 3.16Å; L9-L119 PolarHBondContact O-N 2.94Å; L9-I160 HydrophobicContact CB-CD1 4.41Å; L9-I160 HydrophobicContact CD1-CG1 3.92Å
10G97.8Very high96.1Very high8 Ų825.5 Ų25.58%0.08215%0.148CC..EExtended strand (participates in β ladder)trans146161.2-177.100000111.2K16 F152G10-K16 PolarHBondContact O-NZ 2.69Å; G10-F152 VanDerWaalsContact C-CE2 3.41Å
11G96.1Very high96.2Very high4 Ų430.2 Ų30.24%0.04117%0.169CC..SBendtrans-55.1161.5-178.400000114.1G13 A14 K16G11-G13 PolarHBondContact O-N 2.79Å; G11-A14 VanDerWaalsContact O-CB 3.26Å; G11-A14 WeakPolarHBondContact O-CB 3.46Å; G11-A14 PolarHBondContact O-N 2.85Å; G11-K16 PolarHBondContact O-NZ 3.35Å
12P94.3Very high96.8Very high11 Ų1122.1 Ų22.17%0.07113%0.129CC..THydrogen-bonded Turntrans-57.8122.7172.227.1-34.2000109.3C126 L145 R148 I149P12-C126 WeakPolarHBondContact O-CB 3.49Å; P12-L145 HydrophobicContact CB-CD2 4.22Å; P12-R148 HydrophobicContact CB-CB 4.34Å; P12-R148 HydrophobicContact CG-CB 3.95Å; P12-I149 HydrophobicContact CG-CD1 4.44Å; P12-I149 HydrophobicContact CG-CG1 3.59Å
13G94.7Very high97Very high11 Ų1117.1 Ų17.111%0.11311%0.107CC..THydrogen-bonded Turntrans83.26.7-176.400000117.5G11 G15 R129G11-G13 PolarHBondContact O-N 2.79Å; G13-G15 PolarHBondContact O-N 3.27Å; G13-R129 WeakPolarHBondContact O-CD 3.48Å
14A97.1Very high96.9Very high1 Ų118.7 Ų18.71%0.00812%0.118CC..SBendtrans-62.4-13.4172.500000114.3G11 L119 C121 R129 A174G11-A14 VanDerWaalsContact O-CB 3.26Å; G11-A14 WeakPolarHBondContact O-CB 3.46Å; G11-A14 PolarHBondContact O-N 2.85Å; A14-L119 HydrophobicContact CB-CB 3.96Å; A14-L119 WeakPolarHBondContact O-CD2 3.22Å; A14-C121 HydrophobicContact CB-CB 4.04Å; A14-R129 PolarHBondContact O-NH1 3.2Å; A14-A174 VanDerWaalsContact O-CB 3.26Å; A14-A174 WeakPolarHBondContact O-CB 3.38Å
15G96.2Very high96.8Very high24 Ų2423.5 Ų23.525%0.24714%0.139CC..  trans97.918178.800000115.3G13 G17 T18 V19 L119G13-G15 PolarHBondContact O-N 3.27Å; G15-G17 PolarHBondContact O-N 2.84Å; G15-T18 WeakPolarHBondContact O-CB 3.39Å; G15-T18 PolarHBondContact O-N 3.39Å; G15-T18 VanDerWaalsContact O-N 3.08Å; G15-V19 PolarHBondContact O-N 3.48Å; G15-V19 VanDerWaalsContact O-N 3.13Å; G15-L119 VanDerWaalsContact C-CD2 3.42Å
16K97.7Very high96.6Very high22 Ų2226.7 Ų26.710%0.09615%0.154CC..Hα-helixtrans-51.8-49.7-177.5-63.2-176.5-70.6-72.80113.5V8 G10 G11 T18 V19 C20 D91 L119V8-K16 HydrophobicContact CG1-CB 4.01Å; V8-K16 HydrophobicContact CG1-CD 4.44Å; V8-K16 HydrophobicContact CG1-CG 4.1Å; V8-K16 WeakPolarHBondContact O-CD 3.42Å; G10-K16 PolarHBondContact O-NZ 2.69Å; G11-K16 PolarHBondContact O-NZ 3.35Å; K16-T18 VanDerWaalsContact C-N 3.28Å; K16-T18 PolarHBondContact O-N 2.82Å; K16-V19 PolarHBondContact O-N 3.17Å; K16-C20 PolarHBondContact O-N 2.97Å; K16-C20 PolarHBondContact O-SG 3.03Å; K16-D91 WeakPolarHBondContact CB-OD1 3.23Å; K16-D91 WeakPolarHBondContact CD-OD1 3.35Å; K16-D91 VanDerWaalsContact CE-OD1 3.26Å; K16-D91 WeakPolarHBondContact CE-OD1 3.26Å; K16-L119 HydrophobicContact CB-CD2 4.47Å; K16-L119 HydrophobicContact CG-CD2 4.13Å
17G96.2Very high96.4Very high32 Ų3228.9 Ų28.933%0.3316%0.163SC..Hα-helixtrans-59.3-37.417900000113.3G15 C20 Q21G15-G17 PolarHBondContact O-N 2.84Å; G17-C20 PolarHBondContact O-N 3.45Å; G17-Q21 WeakPolarHBondContact O-CB 3.5Å; G17-Q21 PolarHBondContact O-N 3.24Å
18T96.1Very high96.1Very high60 Ų6029.5 Ų29.537%0.36817%0.17SC..Hα-helixtrans-65.3-45.8176.3-53.30000111.3G15 K16 Q21 Q22 Y182G15-T18 WeakPolarHBondContact O-CB 3.39Å; G15-T18 PolarHBondContact O-N 3.39Å; G15-T18 VanDerWaalsContact O-N 3.08Å; K16-T18 VanDerWaalsContact C-N 3.28Å; K16-T18 PolarHBondContact O-N 2.82Å; T18-Q21 PolarHBondContact O-N 2.9Å; T18-Q22 PolarHBondContact O-N 3.04Å; T18-Y182 HydrophobicContact CG2-CE1 4.07Å; T18-Y182 WeakPolarHBondContact CG2-OH 3.39Å
19V97.9Very high96Very high3 Ų329.9 Ų29.92%0.01817%0.171CC..Hα-helixtrans-61.5-44.5173.8166.10000111.1G15 K16 Q21 Q22 I23 L119 I172 V181 V185G15-V19 PolarHBondContact O-N 3.48Å; G15-V19 VanDerWaalsContact O-N 3.13Å; K16-V19 PolarHBondContact O-N 3.17Å; V19-Q21 PolarHBondContact O-N 3.49Å; V19-Q22 WeakPolarHBondContact O-CB 3.4Å; V19-Q22 PolarHBondContact O-N 3.19Å; V19-I23 HydrophobicContact CG1-CD1 3.92Å; V19-I23 WeakPolarHBondContact O-CG1 3.43Å; V19-I23 PolarHBondContact O-N 3.48Å; V19-I23 VanDerWaalsContact O-N 3.09Å; V19-L119 HydrophobicContact CB-CD2 4.27Å; V19-L119 HydrophobicContact CG1-CD1 4.49Å; V19-L119 HydrophobicContact CG2-CD1 4.43Å; V19-L119 HydrophobicContact CG2-CD2 3.75Å; V19-L119 HydrophobicContact CG2-CG 4.31Å; V19-I172 HydrophobicContact CG1-CD1 4.45Å; V19-V181 HydrophobicContact CG2-CG1 3.75Å; V19-V185 HydrophobicContact CB-CG2 4.47Å; V19-V185 HydrophobicContact CG1-CG2 3.71Å; V19-V185 HydrophobicContact CG2-CG2 4.15Å
20C98.3Very high96Very high0 Ų030.7 Ų30.70%018%0.176CC..Hα-helixtrans-60.7-45178.1-69.60000112.3K16 G17 Q22 I23 V24 H31 L89K16-C20 PolarHBondContact O-N 2.97Å; K16-C20 PolarHBondContact O-SG 3.03Å; G17-C20 PolarHBondContact O-N 3.45Å; C20-Q22 VanDerWaalsContact C-N 3.26Å; C20-Q22 PolarHBondContact O-N 2.95Å; C20-I23 PolarHBondContact O-N 3.14Å; C20-I23 VanDerWaalsContact O-N 3.15Å; C20-V24 WeakPolarHBondContact O-CG2 3.38Å; C20-V24 PolarHBondContact O-N 3.48Å; C20-H31 HydrophobicContact CB-CB 4.23Å; C20-L89 HydrophobicContact CB-CD1 3.93Å
21Q97.3Very high96Very high125 Ų12533.3 Ų33.358%0.58419%0.186SC*.Hα-helixtrans-58-41.1178.3-176178.812.500111.6G17 T18 V19 V24 Q25G17-Q21 WeakPolarHBondContact O-CB 3.5Å; G17-Q21 PolarHBondContact O-N 3.24Å; T18-Q21 PolarHBondContact O-N 2.9Å; V19-Q21 PolarHBondContact O-N 3.49Å; Q21-V24 PolarHBondContact O-N 2.92Å; Q21-Q25 WeakPolarHBondContact O-CB 3.3Å; Q21-Q25 PolarHBondContact O-N 3.38Å
22Q95.5Very high96.1Very high4 Ų433.4 Ų33.42%0.01919%0.185CC..Hα-helixtrans-62.9-47175.9-169.8-157.3-1000111.5T18 V19 C20 V24 Q25 E26 Y182T18-Q22 PolarHBondContact O-N 3.04Å; V19-Q22 WeakPolarHBondContact O-CB 3.4Å; V19-Q22 PolarHBondContact O-N 3.19Å; C20-Q22 VanDerWaalsContact C-N 3.26Å; C20-Q22 PolarHBondContact O-N 2.95Å; Q22-V24 VanDerWaalsContact C-N 3.32Å; Q22-V24 PolarHBondContact O-N 2.83Å; Q22-Q25 PolarHBondContact O-N 3.29Å; Q22-E26 PolarHBondContact NE2-OE1 3.34Å; Q22-E26 PolarHBondContact O-N 3.07Å; Q22-Y182 HydrophobicContact CB-CD1 4.46Å; Q22-Y182 HydrophobicContact CB-CE1 4.15Å; Q22-Y182 VanDerWaalsContact CD-CD1 3.46Å; Q22-Y182 HydrophobicContact CG-CD1 4.24Å; Q22-Y182 HydrophobicContact CG-CD2 4.18Å; Q22-Y182 HydrophobicContact CG-CE1 4.32Å; Q22-Y182 HydrophobicContact CG-CE2 4.28Å; Q22-Y182 HydrophobicContact CG-CG 4.15Å; Q22-Y182 VanDerWaalsContact NE2-CB 3.29Å; Q22-Y182 PolarHBondContact NE2-O 3.43Å; Q22-Y182 VanDerWaalsContact OE1-CA 3.29Å
23I96.2Very high96.3Very high0 Ų033.9 Ų33.90%019%0.189CC..Hα-helixtrans-63.3-40.9180-60167.5000110.7V19 C20 Q25 Y27 G28 F29 L89 I117 V185 M188 M189V19-I23 HydrophobicContact CG1-CD1 3.92Å; V19-I23 WeakPolarHBondContact O-CG1 3.43Å; V19-I23 PolarHBondContact O-N 3.48Å; V19-I23 VanDerWaalsContact O-N 3.09Å; C20-I23 PolarHBondContact O-N 3.14Å; C20-I23 VanDerWaalsContact O-N 3.15Å; I23-Q25 PolarHBondContact O-N 3.39Å; I23-Y27 HydrophobicContact CG2-CD2 4.23Å; I23-Y27 WeakPolarHBondContact O-CA 3.49Å; I23-Y27 WeakPolarHBondContact O-CB 3.39Å; I23-Y27 PolarHBondContact O-N 3.28Å; I23-G28 PolarHBondContact O-N 3.1Å; I23-F29 HydrophobicContact CG2-CB 4.08Å; I23-F29 HydrophobicContact CG2-CD1 4.47Å; I23-F29 HydrophobicContact CG2-CD2 3.91Å; I23-F29 HydrophobicContact CG2-CG 3.9Å; I23-L89 HydrophobicContact CB-CD1 3.8Å; I23-L89 HydrophobicContact CD1-CD1 4.28Å; I23-L89 HydrophobicContact CD1-CD2 3.89Å; I23-L89 HydrophobicContact CG2-CD1 3.87Å; I23-L89 HydrophobicContact CG2-CD2 4.09Å; I23-L89 HydrophobicContact CG2-CG 4.38Å; I23-I117 HydrophobicContact CD1-CD1 4.1Å; I23-V185 HydrophobicContact CD1-CG1 4.02Å; I23-V185 HydrophobicContact CG1-CG1 3.48Å; I23-V185 VanDerWaalsContact CG1-CG1 3.48Å; I23-M188 HydrophobicContact CD1-CE 4.35Å; I23-M189 HydrophobicContact CD1-SD 4.39Å; I23-M189 HydrophobicContact CG1-CG 4.49Å; I23-M189 HydrophobicContact CG1-SD 4.41Å; I23-M189 HydrophobicContact CG2-CE 3.92Å; I23-M189 HydrophobicContact CG2-SD 3.92Å
24V95.7Very high96.4Very high50 Ų5033.6 Ų33.630%0.30319%0.186SC..Hα-helixtrans-56.9-50173.1171.40000110.4C20 Q21 Q22 G28 F29 H31 L89C20-V24 WeakPolarHBondContact O-CG2 3.38Å; C20-V24 PolarHBondContact O-N 3.48Å; Q21-V24 PolarHBondContact O-N 2.92Å; Q22-V24 VanDerWaalsContact C-N 3.32Å; Q22-V24 PolarHBondContact O-N 2.83Å; V24-G28 WeakPolarHBondContact O-CA 3.41Å; V24-G28 PolarHBondContact O-N 3.06Å; V24-F29 WeakPolarHBondContact CG2-O 3.49Å; V24-H31 HydrophobicContact CG2-CB 3.66Å; V24-L89 HydrophobicContact CG2-CD1 4.21Å
25Q94.5Very high96.3Very high135 Ų13534.1 Ų34.163%0.63119%0.191SC*.Hα-helixtrans-66.3-40.3-176.7-175.8178.1-4.200112.9Q21 Q22 I23 K198Q21-Q25 WeakPolarHBondContact O-CB 3.3Å; Q21-Q25 PolarHBondContact O-N 3.38Å; Q22-Q25 PolarHBondContact O-N 3.29Å; I23-Q25 PolarHBondContact O-N 3.39Å; Q25-K198 WeakPolarHBondContact O-CE 3.49Å; Q25-K198 PolarHBondContact O-NZ 3.24Å
26E93.3Very high96.3Very high67 Ų6736.5 Ų36.531%0.31320%0.196SC..Hα-helixtrans-89.7-34-175.1-68.6-173.1-158.700113Q22 R186Q22-E26 PolarHBondContact NE2-OE1 3.34Å; Q22-E26 PolarHBondContact O-N 3.07Å; E26-R186 IonicContact OE1-CZ 3.43Å; E26-R186 IonicContact OE1-NE 3.2Å; E26-R186 PolarHBondContact OE1-NE 3.42Å; E26-R186 IonicContact OE1-NH2 2.79Å; E26-R186 PolarHBondContact OE1-NH2 2.97Å; E26-R186 WeakPolarHBondContact OE2-CG 3.32Å; E26-R186 IonicContact OE2-CZ 3.7Å; E26-R186 IonicContact OE2-NE 2.85Å; E26-R186 PolarHBondContact OE2-NE 3.25Å; E26-R186 IonicContact OE2-NH2 3.69Å
27Y93.7Very high96.3Very high47 Ų4736.9 Ų36.918%0.18420%0.199CC..Hα-helixtrans-121-3.2-169-57-86.2000114.5I23 F29 R186 M189 S196I23-Y27 HydrophobicContact CG2-CD2 4.23Å; I23-Y27 WeakPolarHBondContact O-CA 3.49Å; I23-Y27 WeakPolarHBondContact O-CB 3.39Å; I23-Y27 PolarHBondContact O-N 3.28Å; Y27-F29 PolarHBondContact O-N 3.02Å; Y27-R186 WeakPolarHBondContact OH-CA 3.35Å; Y27-M189 HydrophobicContact CD1-CB 4.21Å; Y27-M189 HydrophobicContact CD1-CE 4.01Å; Y27-M189 HydrophobicContact CD2-CB 4.22Å; Y27-M189 HydrophobicContact CD2-CE 4Å; Y27-M189 HydrophobicContact CD2-CG 3.88Å; Y27-M189 HydrophobicContact CE1-CB 3.66Å; Y27-M189 HydrophobicContact CE1-CG 4.38Å; Y27-M189 HydrophobicContact CE2-CB 3.68Å; Y27-M189 HydrophobicContact CE2-CG 3.6Å; Y27-M189 HydrophobicContact CG-CB 4.47Å; Y27-M189 HydrophobicContact CG-CE 3.7Å; Y27-M189 HydrophobicContact CG-CG 4.4Å; Y27-S196 VanDerWaalsContact C-OG 3.3Å; Y27-S196 PolarHBondContact O-OG 3.4Å
28G93.5Very high96.4Very high13 Ų1336 Ų3613%0.13419%0.187CC..  trans76.11817300000115.2I23 V24 C197I23-G28 PolarHBondContact O-N 3.1Å; V24-G28 WeakPolarHBondContact O-CA 3.41Å; V24-G28 PolarHBondContact O-N 3.06Å; G28-C197 WeakPolarHBondContact O-CB 3.47Å
29F96.5Very high96.3Very high7 Ų734.6 Ų34.63%0.03118%0.175CC..PPolyproline II helixtrans-66.6159.3172.7-80.2-120.3000110.6I23 V24 Y27 N87 L89 M189 I194I23-F29 HydrophobicContact CG2-CB 4.08Å; I23-F29 HydrophobicContact CG2-CD1 4.47Å; I23-F29 HydrophobicContact CG2-CD2 3.91Å; I23-F29 HydrophobicContact CG2-CG 3.9Å; V24-F29 WeakPolarHBondContact CG2-O 3.49Å; Y27-F29 PolarHBondContact O-N 3.02Å; F29-N87 WeakPolarHBondContact CA-O 3.3Å; F29-N87 HydrophobicContact CD1-CB 3.85Å; F29-N87 HydrophobicContact CD2-CB 4.19Å; F29-N87 HydrophobicContact CE1-CB 3.87Å; F29-N87 HydrophobicContact CE2-CB 4.18Å; F29-N87 HydrophobicContact CG-CB 4.02Å; F29-N87 HydrophobicContact CZ-CB 4.04Å; F29-L89 HydrophobicContact CB-CD1 3.99Å; F29-L89 HydrophobicContact CB-CG 3.94Å; F29-L89 HydrophobicContact CD1-CD2 3.96Å; F29-L89 HydrophobicContact CD1-CG 3.89Å; F29-L89 HydrophobicContact CG-CG 4.27Å; F29-M189 HydrophobicContact CD2-CE 4.19Å; F29-M189 HydrophobicContact CE2-CE 3.49Å; F29-M189 VanDerWaalsContact CE2-CE 3.49Å; F29-M189 HydrophobicContact CZ-CE 3.78Å; F29-I194 HydrophobicContact CE1-CD1 4.37Å; F29-I194 HydrophobicContact CE2-CG2 4.33Å; F29-I194 HydrophobicContact CZ-CB 4.42Å; F29-I194 HydrophobicContact CZ-CD1 3.8Å; F29-I194 HydrophobicContact CZ-CG2 3.94Å
30V97.2Very high96.2Very high20 Ų2039.8 Ų39.812%0.12120%0.198CC..EExtended strand (participates in β ladder)trans-97.8127.8167.2171.80000109.2L32 H79 C85 N87 F88 L89V30-L32 HydrophobicContact CG1-CD2 3.87Å; V30-L32 HydrophobicContact CG1-CG 4.17Å; V30-H79 HydrophobicContact CG1-CB 4.27Å; V30-H79 HydrophobicContact CG2-CB 4.4Å; V30-C85 HydrophobicContact CG2-CB 4.11Å; V30-N87 PolarHBondContact N-O 3.27Å; V30-F88 HydrophobicContact CB-CD1 3.62Å; V30-F88 HydrophobicContact CB-CE1 3.78Å; V30-F88 HydrophobicContact CG1-CD1 3.78Å; V30-F88 HydrophobicContact CG1-CE1 3.85Å; V30-F88 HydrophobicContact CG2-CE1 4.24Å; V30-F88 WeakPolarHBondContact O-CA 3.48Å; V30-L89 PolarHBondContact O-N 3.46Å
31H98.1Very high96.2Very high64 Ų6440.3 Ų40.330%0.29620%0.203SC..EExtended strand (participates in β ladder)trans-89.3117.6176.3174-151.6000111.1C20 V24 D91C20-H31 HydrophobicContact CB-CB 4.23Å; V24-H31 HydrophobicContact CG2-CB 3.66Å; H31-D91 IonicContact CE1-OD2 3.22Å; H31-D91 VanDerWaalsContact NE2-CB 3.28Å; H31-D91 WeakPolarHBondContact NE2-CB 3.49Å; H31-D91 IonicContact NE2-OD2 2.71Å; H31-D91 PolarHBondContact NE2-OD2 3.49Å
32L98.5Very high96.1Very high5 Ų537 Ų373%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-114.299.9174.1-58.7-178.9000109.1V30 L72 A75 M76 F88 L89 D91V30-L32 HydrophobicContact CG1-CD2 3.87Å; V30-L32 HydrophobicContact CG1-CG 4.17Å; L32-L72 HydrophobicContact CB-CD2 4.03Å; L32-A75 HydrophobicContact CD1-CB 4.18Å; L32-A75 HydrophobicContact CD2-CB 3.79Å; L32-M76 HydrophobicContact CD1-CB 4.45Å; L32-M76 HydrophobicContact CD1-CE 4.02Å; L32-M76 HydrophobicContact CD1-CG 3.42Å; L32-M76 VanDerWaalsContact CD1-CG 3.42Å; L32-F88 HydrophobicContact CD1-CB 4.34Å; L32-F88 HydrophobicContact CD1-CD1 3.55Å; L32-F88 HydrophobicContact CD1-CE1 4.21Å; L32-F88 HydrophobicContact CD1-CG 4.18Å; L32-F88 HydrophobicContact CG-CD1 4.02Å; L32-L89 PolarHBondContact N-O 2.81Å; L32-D91 PolarHBondContact O-N 2.93Å
33S98.1Very high96Very high22 Ų2241.7 Ų41.715%0.15421%0.21CC..EExtended strand (participates in β ladder)trans-86115.6174.5-169.40000110G35 E36 L37 D91S33-G35 PolarHBondContact O-N 3.26Å; S33-E36 PolarHBondContact O-N 3.26Å; S33-L37 PolarHBondContact O-N 3.48Å; S33-D91 WeakPolarHBondContact CB-OD2 3.43Å; S33-D91 PolarHBondContact OG-OD2 2.78Å
34A97.8Very high95.9Very high4 Ų444 Ų443%0.03323%0.227CC..Hα-helixtrans-57.5-41.7179.400000111.4E36 L37 L38 T68 D91 F93A34-E36 VanDerWaalsContact C-N 3.28Å; A34-E36 PolarHBondContact O-N 3Å; A34-L37 PolarHBondContact O-N 3.34Å; A34-L38 WeakPolarHBondContact O-CB 3.18Å; A34-L38 WeakPolarHBondContact O-CD1 3.36Å; A34-L38 WeakPolarHBondContact O-CG 3.5Å; A34-L38 PolarHBondContact O-N 3Å; A34-T68 HydrophobicContact CB-CG2 3.9Å; A34-D91 PolarHBondContact N-O 2.85Å; A34-F93 HydrophobicContact CB-CB 3.79Å
35G95Very high95.7Very high12 Ų1247.2 Ų47.212%0.12425%0.251CS..Hα-helixtrans-64-32.2176.400000113.3S33 R39S33-G35 PolarHBondContact O-N 3.26Å; G35-R39 VanDerWaalsContact C-NH2 3.25Å; G35-R39 WeakPolarHBondContact O-CG 3.21Å; G35-R39 PolarHBondContact O-N 2.85Å; G35-R39 PolarHBondContact O-NE 3.38Å; G35-R39 PolarHBondContact O-NH1 3.33Å; G35-R39 PolarHBondContact O-NH2 2.91Å
36E95.9Very high95.5Very high75 Ų7547.6 Ų47.635%0.3526%0.258SS..Hα-helixtrans-76.1-43.6178.4-168.456-149.500111.7S33 A34 L38 R39 Q40S33-E36 PolarHBondContact O-N 3.26Å; A34-E36 VanDerWaalsContact C-N 3.28Å; A34-E36 PolarHBondContact O-N 3Å; E36-L38 VanDerWaalsContact C-N 3.26Å; E36-L38 PolarHBondContact O-N 3.43Å; E36-R39 VanDerWaalsContact CA-NH2 3.33Å; E36-R39 VanDerWaalsContact N-NH2 3.16Å; E36-R39 PolarHBondContact O-N 3.41Å; E36-R39 VanDerWaalsContact O-N 3.13Å; E36-R39 IonicContact OE2-CZ 2.86Å; E36-R39 VanDerWaalsContact OE2-CZ 3.29Å; E36-R39 IonicContact OE2-NE 3.02Å; E36-R39 PolarHBondContact OE2-NE 3.23Å; E36-R39 IonicContact OE2-NH2 3.06Å; E36-R39 PolarHBondContact OE2-NH2 2.99Å; E36-Q40 WeakPolarHBondContact O-CG 3.4Å; E36-Q40 PolarHBondContact O-N 3.48Å
37L97.6Very high95.4Very high29 Ų2945.7 Ų45.715%0.15225%0.252CS..Hα-helixtrans-57.8-41.6172.8-67.4172.9000111.3S33 A34 Q40 A41 L71 L72 A75S33-L37 PolarHBondContact O-N 3.48Å; A34-L37 PolarHBondContact O-N 3.34Å; L37-Q40 PolarHBondContact O-N 3.44Å; L37-A41 WeakPolarHBondContact O-CB 3.38Å; L37-A41 PolarHBondContact O-N 3.32Å; L37-L71 HydrophobicContact CB-CB 4.28Å; L37-L72 HydrophobicContact CD1-CD2 3.7Å; L37-L72 HydrophobicContact CD1-CG 4.16Å; L37-A75 HydrophobicContact CD1-CB 4.18Å; L37-A75 HydrophobicContact CD2-CB 4.11Å
38L97.2Very high95.4Very high15 Ų1551.4 Ų51.48%0.07928%0.28CS..Hα-helixtrans-65.6-41.3175.1-71.8168.1000112.3A34 E36 A41 R42 I53 M57 V63 I67 L71A34-L38 WeakPolarHBondContact O-CB 3.18Å; A34-L38 WeakPolarHBondContact O-CD1 3.36Å; A34-L38 WeakPolarHBondContact O-CG 3.5Å; A34-L38 PolarHBondContact O-N 3Å; E36-L38 VanDerWaalsContact C-N 3.26Å; E36-L38 PolarHBondContact O-N 3.43Å; L38-A41 PolarHBondContact O-N 3.03Å; L38-R42 VanDerWaalsContact O-CB 3.31Å; L38-R42 WeakPolarHBondContact O-CB 3.47Å; L38-R42 PolarHBondContact O-N 3.21Å; L38-I53 HydrophobicContact CB-CG2 4.08Å; L38-I53 HydrophobicContact CD2-CD1 4.06Å; L38-I53 HydrophobicContact CD2-CG1 4.12Å; L38-I53 HydrophobicContact CD2-CG2 4.26Å; L38-I53 WeakPolarHBondContact O-CG2 3.23Å; L38-M57 HydrophobicContact CB-CE 3.33Å; L38-M57 HydrophobicContact CD1-CE 4.39Å; L38-M57 HydrophobicContact CG-CE 4.49Å; L38-V63 HydrophobicContact CD1-CB 4.23Å; L38-V63 HydrophobicContact CD1-CG2 4Å; L38-V63 HydrophobicContact CD2-CB 4.16Å; L38-V63 HydrophobicContact CD2-CG1 3.75Å; L38-V63 HydrophobicContact CD2-CG2 4.14Å; L38-I67 HydrophobicContact CD2-CG2 4.25Å; L38-L71 HydrophobicContact CD2-CD1 3.79Å; L38-L71 HydrophobicContact CG-CD1 4.38Å
39R95.4Very high95.5Very high30 Ų3054.3 Ų54.311%0.11329%0.289CS..Hα-helixtrans-63.3-43.3176-80.1-179.3-68.8-83.4-3111.2G35 E36 R42 D43 M57G35-R39 VanDerWaalsContact C-NH2 3.25Å; G35-R39 WeakPolarHBondContact O-CG 3.21Å; G35-R39 PolarHBondContact O-N 2.85Å; G35-R39 PolarHBondContact O-NE 3.38Å; G35-R39 PolarHBondContact O-NH1 3.33Å; G35-R39 PolarHBondContact O-NH2 2.91Å; E36-R39 VanDerWaalsContact CA-NH2 3.33Å; E36-R39 VanDerWaalsContact N-NH2 3.16Å; E36-R39 PolarHBondContact O-N 3.41Å; E36-R39 VanDerWaalsContact O-N 3.13Å; E36-R39 IonicContact OE2-CZ 2.86Å; E36-R39 VanDerWaalsContact OE2-CZ 3.29Å; E36-R39 IonicContact OE2-NE 3.02Å; E36-R39 PolarHBondContact OE2-NE 3.23Å; E36-R39 IonicContact OE2-NH2 3.06Å; E36-R39 PolarHBondContact OE2-NH2 2.99Å; R39-R42 WeakPolarHBondContact O-CB 3.36Å; R39-R42 PolarHBondContact O-N 2.88Å; R39-D43 WeakPolarHBondContact O-CB 3.47Å; R39-D43 VanDerWaalsContact O-CG 3.29Å; R39-D43 PolarHBondContact O-N 3.1Å; R39-D43 VanDerWaalsContact O-OD2 3.08Å; R39-M57 HydrophobicContact CB-CE 4.49Å; R39-M57 HydrophobicContact CG-CE 3.69Å; R39-M57 HydrophobicContact CG-SD 3.93Å
40Q95.9Very high95.4Very high111 Ų11155.1 Ų55.152%0.51930%0.297SS..Hα-helixtrans-61.8-44.1175.5-70.3172.58.400111.9E36 L37 R42 D43 S44E36-Q40 WeakPolarHBondContact O-CG 3.4Å; E36-Q40 PolarHBondContact O-N 3.48Å; L37-Q40 PolarHBondContact O-N 3.44Å; Q40-R42 VanDerWaalsContact C-N 3.35Å; Q40-D43 PolarHBondContact O-N 2.84Å; Q40-S44 WeakPolarHBondContact O-CB 3.33Å; Q40-S44 PolarHBondContact O-N 2.81Å
41A96.6Very high95.4Very high12 Ų1258.9 Ų58.910%0.09932%0.324CS..Hα-helixtrans-65.4-37.5175.800000111.9L37 L38 D43 S47 I53 L71L37-A41 WeakPolarHBondContact O-CB 3.38Å; L37-A41 PolarHBondContact O-N 3.32Å; L38-A41 PolarHBondContact O-N 3.03Å; A41-D43 VanDerWaalsContact C-N 3.34Å; A41-S47 WeakPolarHBondContact O-CB 3.45Å; A41-S47 PolarHBondContact O-OG 2.87Å; A41-I53 HydrophobicContact CB-CD1 3.75Å; A41-L71 HydrophobicContact CB-CD1 3.91Å; A41-L71 HydrophobicContact CB-CD2 4.07Å
42R95.6Very high95.3Very high54 Ų5459.6 Ų59.620%0.20433%0.328CS..Hα-helixtrans-63.3-39.8174.4-179.9-167.269.31022.2112.7L38 R39 Q40 I53 Q54L38-R42 VanDerWaalsContact O-CB 3.31Å; L38-R42 WeakPolarHBondContact O-CB 3.47Å; L38-R42 PolarHBondContact O-N 3.21Å; R39-R42 WeakPolarHBondContact O-CB 3.36Å; R39-R42 PolarHBondContact O-N 2.88Å; Q40-R42 VanDerWaalsContact C-N 3.35Å; R42-I53 HydrophobicContact CB-CB 4.27Å; R42-I53 HydrophobicContact CB-CG2 3.83Å; R42-I53 HydrophobicContact CG-CG2 4.41Å; R42-Q54 HydrophobicContact CG-CB 3.99Å
43D94.6Very high95.2Very high103 Ų10359.3 Ų59.355%0.55133%0.326SS*.Hα-helixtrans-88.4-6.7-175.1-65.6-35000113.4R39 Q40 A41R39-D43 WeakPolarHBondContact O-CB 3.47Å; R39-D43 VanDerWaalsContact O-CG 3.29Å; R39-D43 PolarHBondContact O-N 3.1Å; R39-D43 VanDerWaalsContact O-OD2 3.08Å; Q40-D43 PolarHBondContact O-N 2.84Å; A41-D43 VanDerWaalsContact C-N 3.34Å
44S94.1Very high95.1Very high50 Ų5061.3 Ų61.335%0.3533%0.333SS..  trans-80.8132.8177.8177.30000111.3Q40 D46 S47Q40-S44 WeakPolarHBondContact O-CB 3.33Å; Q40-S44 PolarHBondContact O-N 2.81Å; S44-D46 PolarHBondContact O-N 3.19Å; S44-D46 PolarHBondContact OG-N 3.34Å; S44-S47 PolarHBondContact O-N 3.25Å
45S90Very high95Very high116 Ų11666.9 Ų66.981%0.81136%0.359SS*.THydrogen-bonded Turntrans-61.7-22.8172.5530000113.8
46D90.1Very high95Very high144 Ų14468.4 Ų68.477%0.7736%0.362SS*.THydrogen-bonded Turntrans-96.91.2-171-52.4-25.9000112S44S44-D46 PolarHBondContact O-N 3.19Å; S44-D46 PolarHBondContact OG-N 3.34Å
47S91.9Very high94.8Very high27 Ų2765.7 Ų65.719%0.18935%0.35CS..  trans-89.2114-175.5179.20000111.9A41 S44 F49 A50A41-S47 WeakPolarHBondContact O-CB 3.45Å; A41-S47 PolarHBondContact O-OG 2.87Å; S44-S47 PolarHBondContact O-N 3.25Å; S47-F49 PolarHBondContact O-N 2.9Å; S47-F49 PolarHBondContact OG-N 3.43Å; S47-A50 WeakPolarHBondContact O-CB 3.41Å; S47-A50 PolarHBondContact O-N 3.09Å; S47-A50 PolarHBondContact OG-N 3.46Å
48E93.9Very high94.5Very high167 Ų16770.8 Ų70.878%0.7837%0.371SS*.THydrogen-bonded Turntrans-64.4-19.4172.665.6-173.814600113.3
49F95.2Very high94.2Very high74 Ų7473.8 Ų73.833%0.32539%0.387SS..THydrogen-bonded Turntrans-98.95-177.5-53-66.1000113.5S47 S51 E52 I53 I67S47-F49 PolarHBondContact O-N 2.9Å; S47-F49 PolarHBondContact OG-N 3.43Å; F49-S51 VanDerWaalsContact C-N 3.34Å; F49-S51 PolarHBondContact O-N 2.9Å; F49-E52 PolarHBondContact O-N 3.15Å; F49-I53 HydrophobicContact CB-CD1 3.85Å; F49-I53 HydrophobicContact CB-CG1 4.15Å; F49-I53 VanDerWaalsContact O-CG1 3.26Å; F49-I53 WeakPolarHBondContact O-CG1 3.39Å; F49-I53 PolarHBondContact O-N 2.9Å; F49-I67 HydrophobicContact CB-CD1 4.09Å; F49-I67 HydrophobicContact CB-CG2 4.36Å; F49-I67 HydrophobicContact CD1-CD1 3.62Å; F49-I67 HydrophobicContact CD1-CG1 3.91Å; F49-I67 HydrophobicContact CD2-CG1 4.37Å; F49-I67 HydrophobicContact CD2-CG2 4.28Å; F49-I67 HydrophobicContact CE1-CD1 4.26Å; F49-I67 HydrophobicContact CE1-CG1 4.16Å; F49-I67 HydrophobicContact CG-CD1 3.87Å; F49-I67 HydrophobicContact CG-CG1 4.03Å; F49-I67 HydrophobicContact CG-CG2 4.28Å
50A95.9Very high93.9Very high23 Ų2372.8 Ų72.819%0.1939%0.386CS..Hα-helixtrans-54.7-46.4-170.800000113.2S47 Q54S47-A50 WeakPolarHBondContact O-CB 3.41Å; S47-A50 PolarHBondContact O-N 3.09Å; S47-A50 PolarHBondContact OG-N 3.46Å; A50-Q54 VanDerWaalsContact O-CB 3.32Å; A50-Q54 WeakPolarHBondContact O-CB 3.32Å; A50-Q54 PolarHBondContact O-N 3.4Å
51S95.2Very high93.7Very high99 Ų9970.6 Ų70.669%0.69238%0.38SS*.Hα-helixtrans-66.4-44.9179.7-59.20000113F49 Q54 E55F49-S51 VanDerWaalsContact C-N 3.34Å; F49-S51 PolarHBondContact O-N 2.9Å; S51-Q54 PolarHBondContact O-N 2.99Å; S51-E55 PolarHBondContact O-N 3.11Å
52E96.9Very high93.6Very high79 Ų7971.4 Ų71.437%0.36938%0.383SS..Hα-helixtrans-64.2-43179-176.8173.3-153.500110.9F49 Q54 E55 H56 P64 I67F49-E52 PolarHBondContact O-N 3.15Å; E52-Q54 PolarHBondContact O-N 3.29Å; E52-E55 PolarHBondContact O-N 3.15Å; E52-H56 PolarHBondContact O-CD2 2.64Å; E52-H56 PolarHBondContact O-N 3.13Å; E52-H56 VanDerWaalsContact O-N 3.15Å; E52-P64 VanDerWaalsContact OE1-CG 3.32Å; E52-P64 WeakPolarHBondContact OE1-CG 3.49Å; E52-I67 WeakPolarHBondContact OE2-CD1 3.45Å
53I96.5Very high93.7Very high0 Ų069.2 Ų69.20%038%0.375CS..Hα-helixtrans-62.9-44.4175.2-63.4167.5000110.8L38 A41 R42 F49 E55 H56 M57 V63 I67L38-I53 HydrophobicContact CB-CG2 4.08Å; L38-I53 HydrophobicContact CD2-CD1 4.06Å; L38-I53 HydrophobicContact CD2-CG1 4.12Å; L38-I53 HydrophobicContact CD2-CG2 4.26Å; L38-I53 WeakPolarHBondContact O-CG2 3.23Å; A41-I53 HydrophobicContact CB-CD1 3.75Å; R42-I53 HydrophobicContact CB-CB 4.27Å; R42-I53 HydrophobicContact CB-CG2 3.83Å; R42-I53 HydrophobicContact CG-CG2 4.41Å; F49-I53 HydrophobicContact CB-CD1 3.85Å; F49-I53 HydrophobicContact CB-CG1 4.15Å; F49-I53 VanDerWaalsContact O-CG1 3.26Å; F49-I53 WeakPolarHBondContact O-CG1 3.39Å; F49-I53 PolarHBondContact O-N 2.9Å; I53-E55 VanDerWaalsContact C-N 3.33Å; I53-E55 PolarHBondContact O-N 3.31Å; I53-H56 PolarHBondContact O-N 3.39Å; I53-M57 HydrophobicContact CG2-CE 4.18Å; I53-M57 HydrophobicContact CG2-CG 4.12Å; I53-M57 HydrophobicContact CG2-SD 3.83Å; I53-M57 WeakPolarHBondContact O-CB 3.35Å; I53-M57 VanDerWaalsContact O-CG 3.28Å; I53-M57 WeakPolarHBondContact O-CG 3.47Å; I53-M57 PolarHBondContact O-N 3.03Å; I53-V63 HydrophobicContact CG1-CG1 4.14Å; I53-V63 HydrophobicContact CG2-CG2 4.38Å; I53-I67 HydrophobicContact CD1-CG2 4.14Å; I53-I67 HydrophobicContact CG1-CG2 4.4Å
54Q95.3Very high93.8Very high63 Ų6366.5 Ų66.529%0.29436%0.363SS..Hα-helixtrans-59-43.4179174.359.871.100112R42 A50 S51 E52 K58R42-Q54 HydrophobicContact CG-CB 3.99Å; A50-Q54 VanDerWaalsContact O-CB 3.32Å; A50-Q54 WeakPolarHBondContact O-CB 3.32Å; A50-Q54 PolarHBondContact O-N 3.4Å; S51-Q54 PolarHBondContact O-N 2.99Å; E52-Q54 PolarHBondContact O-N 3.29Å; Q54-K58 WeakPolarHBondContact O-CB 3.31Å; Q54-K58 PolarHBondContact O-N 3.35Å
55E95.3Very high94Very high122 Ų12264.8 Ų64.857%0.5735%0.352SS*.Hα-helixtrans-63.4-51.6179.1-177.5172.9-174.900111.5S51 E52 I53 M57 K58 N59S51-E55 PolarHBondContact O-N 3.11Å; E52-E55 PolarHBondContact O-N 3.15Å; I53-E55 VanDerWaalsContact C-N 3.33Å; I53-E55 PolarHBondContact O-N 3.31Å; E55-M57 VanDerWaalsContact C-N 3.34Å; E55-M57 PolarHBondContact O-N 2.97Å; E55-K58 PolarHBondContact O-N 3.48Å; E55-N59 WeakPolarHBondContact O-CB 3.36Å; E55-N59 PolarHBondContact O-N 2.77Å; E55-N59 PolarHBondContact O-ND2 3.43Å
56H95.4Very high94.4Very high43 Ų4364.9 Ų64.920%0.19934%0.338CS..Hα-helixtrans-60.5-41.9178.2-77.9-65.2000112.6E52 I53 N59 G60 T61 I62 V63E52-H56 PolarHBondContact O-CD2 2.64Å; E52-H56 PolarHBondContact O-N 3.13Å; E52-H56 VanDerWaalsContact O-N 3.15Å; I53-H56 PolarHBondContact O-N 3.39Å; H56-N59 PolarHBondContact O-N 3.26Å; H56-G60 PolarHBondContact O-N 3.4Å; H56-T61 WeakPolarHBondContact CA-OG1 3.32Å; H56-T61 PolarHBondContact ND1-OG1 3.29Å; H56-T61 PolarHBondContact O-N 2.79Å; H56-I62 PolarHBondContact CE1-O 2.92Å; H56-I62 PolarHBondContact ND1-O 2.87Å; H56-V63 HydrophobicContact CB-CG2 3.67Å
57M92.7Very high94.8Very high19 Ų1958.8 Ų58.89%0.09431%0.305CS..Hα-helixtrans-63.8-44.2177.7-78-171.2155.800112.7L38 R39 I53 E55 N59 G60L38-M57 HydrophobicContact CB-CE 3.33Å; L38-M57 HydrophobicContact CD1-CE 4.39Å; L38-M57 HydrophobicContact CG-CE 4.49Å; R39-M57 HydrophobicContact CB-CE 4.49Å; R39-M57 HydrophobicContact CG-CE 3.69Å; R39-M57 HydrophobicContact CG-SD 3.93Å; I53-M57 HydrophobicContact CG2-CE 4.18Å; I53-M57 HydrophobicContact CG2-CG 4.12Å; I53-M57 HydrophobicContact CG2-SD 3.83Å; I53-M57 WeakPolarHBondContact O-CB 3.35Å; I53-M57 VanDerWaalsContact O-CG 3.28Å; I53-M57 WeakPolarHBondContact O-CG 3.47Å; I53-M57 PolarHBondContact O-N 3.03Å; E55-M57 VanDerWaalsContact C-N 3.34Å; E55-M57 PolarHBondContact O-N 2.97Å; M57-N59 VanDerWaalsContact C-N 3.3Å; M57-N59 PolarHBondContact O-N 3.16Å; M57-G60 PolarHBondContact O-N 2.9Å
58K91.8Very high95.1Very high136 Ų13657.8 Ų57.859%0.59130%0.298SS*.Hα-helixtrans-61-42.2177.7-177-177.2175.5-173.20111.2Q54 E55 G60 T144Q54-K58 WeakPolarHBondContact O-CB 3.31Å; Q54-K58 PolarHBondContact O-N 3.35Å; E55-K58 PolarHBondContact O-N 3.48Å; K58-G60 VanDerWaalsContact C-N 3.33Å; K58-T144 PolarHBondContact O-OG1 3.27Å
59N90.8Very high95.3Very high77 Ų7749.9 Ų49.941%0.41226%0.261SS..Hα-helixtrans-85.2-5-176.4-63.5-21.5000113.4E55 H56 M57 T61E55-N59 WeakPolarHBondContact O-CB 3.36Å; E55-N59 PolarHBondContact O-N 2.77Å; E55-N59 PolarHBondContact O-ND2 3.43Å; H56-N59 PolarHBondContact O-N 3.26Å; M57-N59 VanDerWaalsContact C-N 3.3Å; M57-N59 PolarHBondContact O-N 3.16Å; N59-T61 HydrophobicContact CB-CG2 4.22Å; N59-T61 PolarHBondContact O-N 2.95Å
60G88.5Confident95.4Very high9 Ų948.3 Ų48.39%0.09327%0.266CS..THydrogen-bonded Turntrans66.920.2-176.400000114.3H56 M57 K58 Q151H56-G60 PolarHBondContact O-N 3.4Å; M57-G60 PolarHBondContact O-N 2.9Å; K58-G60 VanDerWaalsContact C-N 3.33Å; G60-Q151 PolarHBondContact O-NE2 3.14Å
61T92.2Very high95.6Very high66 Ų6648.9 Ų48.941%0.40527%0.265SS..PPolyproline II helixtrans-92.9166.7179.156.40000111.4H56 N59H56-T61 WeakPolarHBondContact CA-OG1 3.32Å; H56-T61 PolarHBondContact ND1-OG1 3.29Å; H56-T61 PolarHBondContact O-N 2.79Å; N59-T61 HydrophobicContact CB-CG2 4.22Å; N59-T61 PolarHBondContact O-N 2.95Å
62I94.6Very high95.7Very high29 Ų2944.2 Ų44.215%0.14923%0.232CC..PPolyproline II helixtrans-76.8124.1-179.2-62.2-54.3000110.2H56 R95 Q151H56-I62 PolarHBondContact CE1-O 2.92Å; H56-I62 PolarHBondContact ND1-O 2.87Å; I62-R95 HydrophobicContact CD1-CB 3.54Å; I62-R95 HydrophobicContact CD1-CG 4.28Å; I62-Q151 HydrophobicContact CD1-CG 4.28Å; I62-Q151 HydrophobicContact CG1-CG 4.48Å; I62-Q151 VanDerWaalsContact CG1-NE2 3.35Å
63V96.6Very high95.8Very high8 Ų843.8 Ų43.85%0.04823%0.228CC..PPolyproline II helixtrans-63.1140.7166.6177.10000109.1L38 I53 H56 A65 I67L38-V63 HydrophobicContact CD1-CB 4.23Å; L38-V63 HydrophobicContact CD1-CG2 4Å; L38-V63 HydrophobicContact CD2-CB 4.16Å; L38-V63 HydrophobicContact CD2-CG1 3.75Å; L38-V63 HydrophobicContact CD2-CG2 4.14Å; I53-V63 HydrophobicContact CG1-CG1 4.14Å; I53-V63 HydrophobicContact CG2-CG2 4.38Å; H56-V63 HydrophobicContact CB-CG2 3.67Å; V63-A65 PolarHBondContact O-N 2.98Å; V63-I67 HydrophobicContact CG1-CB 4.1Å; V63-I67 HydrophobicContact CG1-CD1 4.17Å; V63-I67 HydrophobicContact CG1-CG2 4.13Å
64P97.8Very high95.8Very high45 Ų4550.1 Ų50.129%0.29226%0.258SS..  trans-44.9132.8178.4-30.933.1000113.6E52 K66 I67 T68E52-P64 VanDerWaalsContact OE1-CG 3.32Å; E52-P64 WeakPolarHBondContact OE1-CG 3.49Å; P64-K66 PolarHBondContact O-N 3.19Å; P64-K66 VanDerWaalsContact O-N 3.13Å; P64-I67 HydrophobicContact CB-CD1 4.06Å; P64-I67 HydrophobicContact CB-CG1 4.37Å; P64-I67 HydrophobicContact CG-CD1 4.06Å; P64-I67 PolarHBondContact O-N 3.4Å; P64-I67 VanDerWaalsContact O-N 3.11Å; P64-T68 PolarHBondContact O-N 3.08Å
65A98.2Very high95.9Very high15 Ų1547.7 Ų47.712%0.12425%0.249CC..Hα-helixtrans-56.8-35.7-172.800000112.8V63 T68 C69 N99 C102V63-A65 PolarHBondContact O-N 2.98Å; A65-T68 PolarHBondContact O-N 2.94Å; A65-C69 WeakPolarHBondContact O-CB 3.18Å; A65-C69 PolarHBondContact O-N 3.13Å; A65-C69 PolarHBondContact O-SG 3.31Å; A65-N99 WeakPolarHBondContact CB-ND2 3.2Å; A65-C102 HydrophobicContact CB-CB 3.54Å
66K98.1Very high96Very high117 Ų11741.9 Ų41.951%0.50922%0.221SC..Hα-helixtrans-62.8-41.6179.7-74.4-69.2-176.6179.80113.1P64 G70 D106P64-K66 PolarHBondContact O-N 3.19Å; P64-K66 VanDerWaalsContact O-N 3.13Å; K66-G70 PolarHBondContact O-N 2.9Å; K66-D106 WeakPolarHBondContact CD-OD2 3.36Å; K66-D106 WeakPolarHBondContact CE-OD2 3.4Å; K66-D106 IonicContact NZ-OD1 3.35Å; K66-D106 PolarHBondContact NZ-OD1 3.34Å; K66-D106 IonicContact NZ-OD2 3.18Å; K66-D106 PolarHBondContact NZ-OD2 3.02Å
67I98Very high96Very high16 Ų1644.1 Ų44.18%0.08223%0.23CC..Hα-helixtrans-62.7-50.3177.4-62.8169.8000109.1L38 F49 E52 I53 V63 P64 G70 L71L38-I67 HydrophobicContact CD2-CG2 4.25Å; F49-I67 HydrophobicContact CB-CD1 4.09Å; F49-I67 HydrophobicContact CB-CG2 4.36Å; F49-I67 HydrophobicContact CD1-CD1 3.62Å; F49-I67 HydrophobicContact CD1-CG1 3.91Å; F49-I67 HydrophobicContact CD2-CG1 4.37Å; F49-I67 HydrophobicContact CD2-CG2 4.28Å; F49-I67 HydrophobicContact CE1-CD1 4.26Å; F49-I67 HydrophobicContact CE1-CG1 4.16Å; F49-I67 HydrophobicContact CG-CD1 3.87Å; F49-I67 HydrophobicContact CG-CG1 4.03Å; F49-I67 HydrophobicContact CG-CG2 4.28Å; E52-I67 WeakPolarHBondContact OE2-CD1 3.45Å; I53-I67 HydrophobicContact CD1-CG2 4.14Å; I53-I67 HydrophobicContact CG1-CG2 4.4Å; V63-I67 HydrophobicContact CG1-CB 4.1Å; V63-I67 HydrophobicContact CG1-CD1 4.17Å; V63-I67 HydrophobicContact CG1-CG2 4.13Å; P64-I67 HydrophobicContact CB-CD1 4.06Å; P64-I67 HydrophobicContact CB-CG1 4.37Å; P64-I67 HydrophobicContact CG-CD1 4.06Å; P64-I67 PolarHBondContact O-N 3.4Å; P64-I67 VanDerWaalsContact O-N 3.11Å; I67-G70 PolarHBondContact O-N 3.38Å; I67-L71 HydrophobicContact CG2-CD1 4.1Å; I67-L71 WeakPolarHBondContact O-CG 3.39Å; I67-L71 PolarHBondContact O-N 3.45Å
68T98.3Very high96.1Very high6 Ų649.5 Ų49.54%0.03725%0.253CS..Hα-helixtrans-65.7-43.5-177.4-51.50000112.3A34 P64 A65 L71 L72 F93A34-T68 HydrophobicContact CB-CG2 3.9Å; P64-T68 PolarHBondContact O-N 3.08Å; A65-T68 PolarHBondContact O-N 2.94Å; T68-L71 PolarHBondContact O-N 3.3Å; T68-L72 HydrophobicContact CG2-CD1 4.02Å; T68-L72 WeakPolarHBondContact O-CB 3.35Å; T68-L72 WeakPolarHBondContact O-CG 3.43Å; T68-L72 PolarHBondContact O-N 2.84Å; T68-F93 HydrophobicContact CG2-CD2 3.48Å; T68-F93 VanDerWaalsContact CG2-CD2 3.48Å; T68-F93 HydrophobicContact CG2-CE2 3.73Å; T68-F93 HydrophobicContact CG2-CG 4.27Å
69C98.5Very high96.2Very high2 Ų246.6 Ų46.61%0.01424%0.242CC..Hα-helixtrans-61.1-42.3174.5-79.50000112.1A65 L72 Y73 F93 L107A65-C69 WeakPolarHBondContact O-CB 3.18Å; A65-C69 PolarHBondContact O-N 3.13Å; A65-C69 PolarHBondContact O-SG 3.31Å; C69-L72 PolarHBondContact O-N 2.84Å; C69-Y73 WeakPolarHBondContact O-CB 3.41Å; C69-Y73 PolarHBondContact O-N 3.49Å; C69-F93 VanDerWaalsContact SG-CZ 3.59Å; C69-L107 HydrophobicContact CB-CD1 3.88Å
70G98Very high96.3Very high40 Ų4043.9 Ų43.941%0.41223%0.229SC..Hα-helixtrans-59.9-49.4176.900000112.2K66 I67 L72 Y73 Q74K66-G70 PolarHBondContact O-N 2.9Å; I67-G70 PolarHBondContact O-N 3.38Å; G70-L72 PolarHBondContact O-N 2.84Å; G70-Y73 PolarHBondContact O-N 3.47Å; G70-Q74 WeakPolarHBondContact O-CB 3.33Å; G70-Q74 PolarHBondContact O-N 3Å
71L98.2Very high96.5Very high36 Ų3649.9 Ų49.919%0.18825%0.254CS..Hα-helixtrans-60.6-44.7177.1-68.3172.4000112.1L37 L38 A41 I67 T68 A75L37-L71 HydrophobicContact CB-CB 4.28Å; L38-L71 HydrophobicContact CD2-CD1 3.79Å; L38-L71 HydrophobicContact CG-CD1 4.38Å; A41-L71 HydrophobicContact CB-CD1 3.91Å; A41-L71 HydrophobicContact CB-CD2 4.07Å; I67-L71 HydrophobicContact CG2-CD1 4.1Å; I67-L71 WeakPolarHBondContact O-CG 3.39Å; I67-L71 PolarHBondContact O-N 3.45Å; T68-L71 PolarHBondContact O-N 3.3Å; L71-A75 WeakPolarHBondContact O-CB 3.48Å; L71-A75 PolarHBondContact O-N 3.3Å
72L98.6Very high96.3Very high0 Ų052.7 Ų52.70%027%0.267CS..Hα-helixtrans-62-45.8177.3-77.1166000111.6L32 L37 T68 C69 G70 A75 M76 V90 F93 W103L32-L72 HydrophobicContact CB-CD2 4.03Å; L37-L72 HydrophobicContact CD1-CD2 3.7Å; L37-L72 HydrophobicContact CD1-CG 4.16Å; T68-L72 HydrophobicContact CG2-CD1 4.02Å; T68-L72 WeakPolarHBondContact O-CB 3.35Å; T68-L72 WeakPolarHBondContact O-CG 3.43Å; T68-L72 PolarHBondContact O-N 2.84Å; C69-L72 PolarHBondContact O-N 2.84Å; G70-L72 PolarHBondContact O-N 2.84Å; L72-A75 PolarHBondContact O-N 2.95Å; L72-M76 WeakPolarHBondContact O-CG 3.37Å; L72-M76 PolarHBondContact O-N 3.32Å; L72-V90 HydrophobicContact CD1-CG1 4.04Å; L72-V90 HydrophobicContact CD2-CG1 4.07Å; L72-F93 HydrophobicContact CD1-CB 4.22Å; L72-F93 HydrophobicContact CD1-CD1 3.85Å; L72-F93 HydrophobicContact CD1-CD2 4.4Å; L72-F93 HydrophobicContact CD1-CE1 4.35Å; L72-F93 HydrophobicContact CD1-CG 3.89Å; L72-W103 HydrophobicContact CD1-CZ3 4.18Å
73Y98Very high95.9Very high70 Ų7054.4 Ų54.428%0.27529%0.285SS..Hα-helixtrans-66.4-42.7-179.1-174.3-126.7000112.2F3 C69 G70 A75 M76 K77 L107 H110F3-Y73 HydrophobicContact CE2-CE2 4.16Å; C69-Y73 WeakPolarHBondContact O-CB 3.41Å; C69-Y73 PolarHBondContact O-N 3.49Å; G70-Y73 PolarHBondContact O-N 3.47Å; Y73-A75 VanDerWaalsContact C-N 3.31Å; Y73-A75 PolarHBondContact O-N 3.43Å; Y73-M76 PolarHBondContact O-N 3.02Å; Y73-K77 HydrophobicContact CE1-CD 4Å; Y73-K77 HydrophobicContact CE2-CD 4.49Å; Y73-K77 HydrophobicContact CE2-CG 4.22Å; Y73-K77 PolarHBondContact O-N 2.96Å; Y73-L107 HydrophobicContact CD2-CG 4.34Å; Y73-L107 HydrophobicContact CG-CG 4.49Å; Y73-H110 HydrophobicContact CE2-CB 4Å
74Q96.9Very high95.3Very high134 Ų13460.3 Ų60.363%0.62632%0.317SS*.Hα-helixtrans-59.6-42.7174.6-173.7-178.57.700111.3G70 K77 K78G70-Q74 WeakPolarHBondContact O-CB 3.33Å; G70-Q74 PolarHBondContact O-N 3Å; Q74-K77 PolarHBondContact O-N 3.44Å; Q74-K78 WeakPolarHBondContact O-CB 3.25Å; Q74-K78 PolarHBondContact O-N 2.95Å
75A97.1Very high94.9Very high12 Ų1258.5 Ų58.510%0.09931%0.305CS..Hα-helixtrans-64.8-43.8177.300000112.2L32 L37 L71 L72 Y73 K77 K78 H79L32-A75 HydrophobicContact CD1-CB 4.18Å; L32-A75 HydrophobicContact CD2-CB 3.79Å; L37-A75 HydrophobicContact CD1-CB 4.18Å; L37-A75 HydrophobicContact CD2-CB 4.11Å; L71-A75 WeakPolarHBondContact O-CB 3.48Å; L71-A75 PolarHBondContact O-N 3.3Å; L72-A75 PolarHBondContact O-N 2.95Å; Y73-A75 VanDerWaalsContact C-N 3.31Å; Y73-A75 PolarHBondContact O-N 3.43Å; A75-K77 PolarHBondContact O-N 3.3Å; A75-K78 PolarHBondContact O-N 2.79Å; A75-H79 PolarHBondContact O-CD2 3Å; A75-H79 VanDerWaalsContact O-CD2 3.29Å; A75-H79 PolarHBondContact O-N 3.5Å
76M97.5Very high94.7Very high0 Ų058.7 Ų58.70%030%0.304CS..Hα-helixtrans-59-47.8175.7-70.7176.8-167.900111.8F3 T5 L32 L72 Y73 H79 S80 F88 V90 W103 T111F3-M76 HydrophobicContact CD2-CB 3.79Å; F3-M76 HydrophobicContact CD2-CG 4.36Å; F3-M76 HydrophobicContact CD2-SD 3.92Å; F3-M76 HydrophobicContact CE2-CB 3.71Å; F3-M76 HydrophobicContact CZ-CB 4.41Å; T5-M76 HydrophobicContact CG2-CE 4.1Å; T5-M76 HydrophobicContact CG2-SD 4.41Å; L32-M76 HydrophobicContact CD1-CB 4.45Å; L32-M76 HydrophobicContact CD1-CE 4.02Å; L32-M76 HydrophobicContact CD1-CG 3.42Å; L32-M76 VanDerWaalsContact CD1-CG 3.42Å; L72-M76 WeakPolarHBondContact O-CG 3.37Å; L72-M76 PolarHBondContact O-N 3.32Å; Y73-M76 PolarHBondContact O-N 3.02Å; M76-H79 PolarHBondContact O-N 3.12Å; M76-S80 WeakPolarHBondContact O-CB 3.42Å; M76-S80 PolarHBondContact O-N 3.08Å; M76-F88 HydrophobicContact CB-CD2 4.41Å; M76-F88 HydrophobicContact CB-CE1 4.22Å; M76-F88 HydrophobicContact CB-CE2 4.04Å; M76-F88 HydrophobicContact CB-CZ 3.95Å; M76-F88 HydrophobicContact CE-CB 4.37Å; M76-F88 HydrophobicContact CG-CD1 3.97Å; M76-F88 HydrophobicContact CG-CD2 3.97Å; M76-F88 HydrophobicContact CG-CE1 4.14Å; M76-F88 HydrophobicContact CG-CE2 4.1Å; M76-F88 HydrophobicContact CG-CG 3.89Å; M76-F88 HydrophobicContact CG-CZ 4.2Å; M76-F88 WeakPolarHBondContact O-CZ 3.5Å; M76-F88 HydrophobicContact SD-CD2 4.41Å; M76-V90 HydrophobicContact CE-CG2 3.48Å; M76-V90 VanDerWaalsContact CE-CG2 3.48Å; M76-W103 HydrophobicContact CE-CH2 3.47Å; M76-W103 VanDerWaalsContact CE-CH2 3.47Å; M76-W103 HydrophobicContact CE-CZ3 4Å; M76-W103 HydrophobicContact SD-CH2 4.47Å; M76-T111 HydrophobicContact SD-CG2 4.39Å
77K96.3Very high94.6Very high89 Ų8953.2 Ų53.239%0.38728%0.281SS..Hα-helixtrans-58-51.8176.9-78.6-165.267.7-168.70112F3 Y73 Q74 A75 H79 S80 E81F3-K77 HydrophobicContact CZ-CG 4.5Å; Y73-K77 HydrophobicContact CE1-CD 4Å; Y73-K77 HydrophobicContact CE2-CD 4.49Å; Y73-K77 HydrophobicContact CE2-CG 4.22Å; Y73-K77 PolarHBondContact O-N 2.96Å; Q74-K77 PolarHBondContact O-N 3.44Å; A75-K77 PolarHBondContact O-N 3.3Å; K77-H79 VanDerWaalsContact C-N 3.3Å; K77-H79 PolarHBondContact O-N 2.83Å; K77-S80 PolarHBondContact O-N 3.49Å; K77-S80 VanDerWaalsContact O-N 3.15Å; K77-E81 WeakPolarHBondContact CE-OE1 3.35Å; K77-E81 WeakPolarHBondContact O-CG 3.42Å; K77-E81 PolarHBondContact O-N 2.87Å
78K95.2Very high94.6Very high133 Ų13352.5 Ų52.558%0.57828%0.277SS*.Hα-helixtrans-56.2-43.5-179.9-177.4179.8-179.8179.90112Q74 A75 N82Q74-K78 WeakPolarHBondContact O-CB 3.25Å; Q74-K78 PolarHBondContact O-N 2.95Å; A75-K78 PolarHBondContact O-N 2.79Å; K78-N82 WeakPolarHBondContact O-CB 3.37Å; K78-N82 VanDerWaalsContact O-CG 3.29Å; K78-N82 PolarHBondContact O-N 2.87Å; K78-N82 VanDerWaalsContact O-N 3.14Å; K78-N82 PolarHBondContact O-ND2 2.76Å; K78-N82 VanDerWaalsContact O-ND2 3.11Å
79H94.1Very high94.6Very high74 Ų7452.2 Ų52.234%0.34328%0.275SS..Hα-helixtrans-71.6-38.5178.2-85.1-76000113V30 A75 M76 K77 E81 N82 A83 F88V30-H79 HydrophobicContact CG1-CB 4.27Å; V30-H79 HydrophobicContact CG2-CB 4.4Å; A75-H79 PolarHBondContact O-CD2 3Å; A75-H79 VanDerWaalsContact O-CD2 3.29Å; A75-H79 PolarHBondContact O-N 3.5Å; M76-H79 PolarHBondContact O-N 3.12Å; K77-H79 VanDerWaalsContact C-N 3.3Å; K77-H79 PolarHBondContact O-N 2.83Å; H79-E81 VanDerWaalsContact C-N 3.32Å; H79-E81 PolarHBondContact O-N 2.81Å; H79-N82 PolarHBondContact O-N 3.49Å; H79-A83 WeakPolarHBondContact O-CB 3.39Å; H79-A83 PolarHBondContact O-N 2.98Å; H79-F88 HydrophobicContact CB-CE1 3.75Å; H79-F88 HydrophobicContact CB-CZ 4.17Å
80S92.9Very high94.6Very high20 Ų2052.1 Ų52.114%0.1428%0.275CS..Hα-helixtrans-63.1-38.9175.7-175.30000111.9M76 K77 N84 C85M76-S80 WeakPolarHBondContact O-CB 3.42Å; M76-S80 PolarHBondContact O-N 3.08Å; K77-S80 PolarHBondContact O-N 3.49Å; K77-S80 VanDerWaalsContact O-N 3.15Å; S80-N84 VanDerWaalsContact O-CA 3.3Å; S80-N84 WeakPolarHBondContact O-CA 3.49Å; S80-N84 PolarHBondContact O-N 3.35Å; S80-C85 WeakPolarHBondContact CA-O 3.39Å
81E91.5Very high94.7Very high136 Ų13650.7 Ų50.764%0.63626%0.258SS*.Hα-helixtrans-71.3-41.1179-71.5164.5-169.500112K77 H79K77-E81 WeakPolarHBondContact CE-OE1 3.35Å; K77-E81 WeakPolarHBondContact O-CG 3.42Å; K77-E81 PolarHBondContact O-N 2.87Å; H79-E81 VanDerWaalsContact C-N 3.32Å; H79-E81 PolarHBondContact O-N 2.81Å
82N89Confident94.6Very high125 Ų12549.4 Ų49.467%0.66825%0.253SS*.Hα-helixtrans-85.1-32.8-174.3-69.7-28.6000114.7K78 H79K78-N82 WeakPolarHBondContact O-CB 3.37Å; K78-N82 VanDerWaalsContact O-CG 3.29Å; K78-N82 PolarHBondContact O-N 2.87Å; K78-N82 VanDerWaalsContact O-N 3.14Å; K78-N82 PolarHBondContact O-ND2 2.76Å; K78-N82 VanDerWaalsContact O-ND2 3.11Å; H79-N82 PolarHBondContact O-N 3.49Å
83A84.5Confident94.6Very high64 Ų6449.5 Ų49.553%0.52925%0.253SS..Hα-helixtrans-1222.3-171.100000113.6H79 C85H79-A83 WeakPolarHBondContact O-CB 3.39Å; H79-A83 PolarHBondContact O-N 2.98Å; A83-C85 HydrophobicContact CB-CB 4.46Å; A83-C85 PolarHBondContact O-N 3.17Å
84N84.3Confident94.6Very high133 Ų13346.2 Ų46.271%0.71124%0.24SC*.  trans50.929.1-174.9-161.138000113.4S80S80-N84 VanDerWaalsContact O-CA 3.3Å; S80-N84 WeakPolarHBondContact O-CA 3.49Å; S80-N84 PolarHBondContact O-N 3.35Å
85C89.8Confident94.6Very high7 Ų743.4 Ų43.45%0.04722%0.224CC..  trans-101130.8179.8179.10000110.3V30 S80 A83 F88 C197V30-C85 HydrophobicContact CG2-CB 4.11Å; S80-C85 WeakPolarHBondContact CA-O 3.39Å; A83-C85 HydrophobicContact CB-CB 4.46Å; A83-C85 PolarHBondContact O-N 3.17Å; C85-F88 WeakPolarHBondContact O-CZ 3.46Å; C85-C197 HydrophobicContact CB-CB 4.23Å; C85-C197 PolarHBondContact SG-SG 2.68Å
86T94Very high94.7Very high18 Ų1843.6 Ų43.611%0.1122%0.223CC..  trans-121.914.4-178.858.10000114.1M1 F3 N4M1-T86 HydrophobicContact CE-CG2 3.21Å; M1-T86 HydrophobicContact SD-CG2 3.74Å; F3-T86 CarbonylContact C-O 3.57Å; F3-T86 HydrophobicContact CD1-CG2 4.01Å; F3-T86 HydrophobicContact CE1-CG2 4.26Å; N4-T86 PolarHBondContact N-O 2.9Å
87N96.6Very high94.7Very high3 Ų347 Ų472%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-111.8112179.9-62.5-25.4000109.7N4 F29 V30 I194 V195 C197N4-N87 WeakPolarHBondContact CB-OD1 3.5Å; N4-N87 PolarHBondContact ND2-OD1 3.23Å; N4-N87 WeakPolarHBondContact O-CA 3.31Å; F29-N87 WeakPolarHBondContact CA-O 3.3Å; F29-N87 HydrophobicContact CD1-CB 3.85Å; F29-N87 HydrophobicContact CD2-CB 4.19Å; F29-N87 HydrophobicContact CE1-CB 3.87Å; F29-N87 HydrophobicContact CE2-CB 4.18Å; F29-N87 HydrophobicContact CG-CB 4.02Å; F29-N87 HydrophobicContact CZ-CB 4.04Å; V30-N87 PolarHBondContact N-O 3.27Å; N87-I194 WeakPolarHBondContact ND2-CG2 3.42Å; N87-I194 WeakPolarHBondContact OD1-CG2 3.18Å; N87-V195 PolarHBondContact ND2-O 3.16Å; N87-C197 PolarHBondContact ND2-SG 3.17Å
88F97.8Very high94.8Very high0 Ų048.1 Ų48.10%025%0.252CS..EExtended strand (participates in β ladder)trans-120.5135.2-172.8-61.1-84.2000112.5F3 N4 T5 C6 V30 L32 M76 H79 C85F3-F88 HydrophobicContact CB-CD2 3.83Å; F3-F88 HydrophobicContact CB-CE2 3.9Å; F3-F88 AromaticContact CD1-CE2 3.73Å; F3-F88 HydrophobicContact CD1-CE2 3.73Å; F3-F88 HydrophobicContact CD2-CE2 4.37Å; F3-F88 HydrophobicContact CE1-CE2 4.35Å; F3-F88 HydrophobicContact CG-CD2 4.17Å; F3-F88 AromaticContact CG-CE2 3.74Å; F3-F88 HydrophobicContact CG-CE2 3.74Å; N4-F88 PolarHBondContact O-N 3.08Å; T5-F88 CarbonylContact C-O 3.52Å; T5-F88 WeakPolarHBondContact CA-O 3.36Å; T5-F88 HydrophobicContact CG2-CB 4.45Å; C6-F88 PolarHBondContact N-O 2.87Å; V30-F88 HydrophobicContact CB-CD1 3.62Å; V30-F88 HydrophobicContact CB-CE1 3.78Å; V30-F88 HydrophobicContact CG1-CD1 3.78Å; V30-F88 HydrophobicContact CG1-CE1 3.85Å; V30-F88 HydrophobicContact CG2-CE1 4.24Å; V30-F88 WeakPolarHBondContact O-CA 3.48Å; L32-F88 HydrophobicContact CD1-CB 4.34Å; L32-F88 HydrophobicContact CD1-CD1 3.55Å; L32-F88 HydrophobicContact CD1-CE1 4.21Å; L32-F88 HydrophobicContact CD1-CG 4.18Å; L32-F88 HydrophobicContact CG-CD1 4.02Å; M76-F88 HydrophobicContact CB-CD2 4.41Å; M76-F88 HydrophobicContact CB-CE1 4.22Å; M76-F88 HydrophobicContact CB-CE2 4.04Å; M76-F88 HydrophobicContact CB-CZ 3.95Å; M76-F88 HydrophobicContact CE-CB 4.37Å; M76-F88 HydrophobicContact CG-CD1 3.97Å; M76-F88 HydrophobicContact CG-CD2 3.97Å; M76-F88 HydrophobicContact CG-CE1 4.14Å; M76-F88 HydrophobicContact CG-CE2 4.1Å; M76-F88 HydrophobicContact CG-CG 3.89Å; M76-F88 HydrophobicContact CG-CZ 4.2Å; M76-F88 WeakPolarHBondContact O-CZ 3.5Å; M76-F88 HydrophobicContact SD-CD2 4.41Å; H79-F88 HydrophobicContact CB-CE1 3.75Å; H79-F88 HydrophobicContact CB-CZ 4.17Å; C85-F88 WeakPolarHBondContact O-CZ 3.46Å
89L98.6Very high94.9Very high0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-93121.6163.8-59.6163.3000107.9C6 V8 C20 I23 V24 F29 V30 L32 I117C6-L89 HydrophobicContact CB-CD2 4.1Å; V8-L89 HydrophobicContact CG2-CB 4.27Å; V8-L89 HydrophobicContact CG2-CD2 4.08Å; C20-L89 HydrophobicContact CB-CD1 3.93Å; I23-L89 HydrophobicContact CB-CD1 3.8Å; I23-L89 HydrophobicContact CD1-CD1 4.28Å; I23-L89 HydrophobicContact CD1-CD2 3.89Å; I23-L89 HydrophobicContact CG2-CD1 3.87Å; I23-L89 HydrophobicContact CG2-CD2 4.09Å; I23-L89 HydrophobicContact CG2-CG 4.38Å; V24-L89 HydrophobicContact CG2-CD1 4.21Å; F29-L89 HydrophobicContact CB-CD1 3.99Å; F29-L89 HydrophobicContact CB-CG 3.94Å; F29-L89 HydrophobicContact CD1-CD2 3.96Å; F29-L89 HydrophobicContact CD1-CG 3.89Å; F29-L89 HydrophobicContact CG-CG 4.27Å; V30-L89 PolarHBondContact O-N 3.46Å; L32-L89 PolarHBondContact N-O 2.81Å; L89-I117 HydrophobicContact CD2-CD1 4.41Å
90V98.8Very high95.2Very high0 Ų039.3 Ų39.30%021%0.212CC..EExtended strand (participates in β ladder)trans-103.798177.3175.80000107.6C6 F7 V8 L72 M76 F93 W103C6-V90 PolarHBondContact O-N 3.49Å; F7-V90 HydrophobicContact CD1-CB 3.84Å; F7-V90 HydrophobicContact CD1-CG1 3.93Å; F7-V90 HydrophobicContact CE1-CB 4.28Å; F7-V90 HydrophobicContact CE1-CG1 4.17Å; V8-V90 PolarHBondContact N-O 2.65Å; L72-V90 HydrophobicContact CD1-CG1 4.04Å; L72-V90 HydrophobicContact CD2-CG1 4.07Å; M76-V90 HydrophobicContact CE-CG2 3.48Å; M76-V90 VanDerWaalsContact CE-CG2 3.48Å; V90-F93 HydrophobicContact CG1-CB 4.04Å; V90-F93 HydrophobicContact CG1-CD1 4.33Å; V90-W103 HydrophobicContact CG1-CZ3 4.18Å; V90-W103 HydrophobicContact CG2-CH2 3.83Å; V90-W103 HydrophobicContact CG2-CZ3 4.18Å
91D98.5Very high95.4Very high11 Ų1142.1 Ų42.16%0.05923%0.225CC..EExtended strand (participates in β ladder)trans-90.9122.5-173162.333.2000111.7V8 K16 H31 L32 S33 A34V8-D91 HydrophobicContact CB-CB 4.43Å; K16-D91 WeakPolarHBondContact CB-OD1 3.23Å; K16-D91 WeakPolarHBondContact CD-OD1 3.35Å; K16-D91 VanDerWaalsContact CE-OD1 3.26Å; K16-D91 WeakPolarHBondContact CE-OD1 3.26Å; H31-D91 IonicContact CE1-OD2 3.22Å; H31-D91 VanDerWaalsContact NE2-CB 3.28Å; H31-D91 WeakPolarHBondContact NE2-CB 3.49Å; H31-D91 IonicContact NE2-OD2 2.71Å; H31-D91 PolarHBondContact NE2-OD2 3.49Å; L32-D91 PolarHBondContact O-N 2.93Å; S33-D91 WeakPolarHBondContact CB-OD2 3.43Å; S33-D91 PolarHBondContact OG-OD2 2.78Å; A34-D91 PolarHBondContact N-O 2.85Å
92G96.9Very high95.8Very high8 Ų836.2 Ų36.28%0.08220%0.199CC..THydrogen-bonded Turntrans79.721.6174.100000114.8V8 R95V8-G92 PolarHBondContact O-N 3.08Å; G92-R95 VanDerWaalsContact O-CG 3.23Å; G92-R95 WeakPolarHBondContact O-CG 3.4Å; G92-R95 PolarHBondContact O-NE 3.4Å
93F98.5Very high96.2Very high3 Ų330.7 Ų30.71%0.01317%0.169CC..  trans-148.5143.9174.8-175.3-82.3000110.3F7 A34 T68 C69 L72 V90 N99 W103F7-F93 WeakPolarHBondContact CD1-O 3.44Å; A34-F93 HydrophobicContact CB-CB 3.79Å; T68-F93 HydrophobicContact CG2-CD2 3.48Å; T68-F93 VanDerWaalsContact CG2-CD2 3.48Å; T68-F93 HydrophobicContact CG2-CE2 3.73Å; T68-F93 HydrophobicContact CG2-CG 4.27Å; C69-F93 VanDerWaalsContact SG-CZ 3.59Å; L72-F93 HydrophobicContact CD1-CB 4.22Å; L72-F93 HydrophobicContact CD1-CD1 3.85Å; L72-F93 HydrophobicContact CD1-CD2 4.4Å; L72-F93 HydrophobicContact CD1-CE1 4.35Å; L72-F93 HydrophobicContact CD1-CG 3.89Å; V90-F93 HydrophobicContact CG1-CB 4.04Å; V90-F93 HydrophobicContact CG1-CD1 4.33Å; F93-N99 HydrophobicContact CD2-CB 4.19Å; F93-N99 HydrophobicContact CE1-CB 4.3Å; F93-N99 HydrophobicContact CE2-CB 3.47Å; F93-N99 VanDerWaalsContact CE2-CB 3.47Å; F93-N99 WeakPolarHBondContact CE2-OD1 3.39Å; F93-N99 HydrophobicContact CZ-CB 3.53Å; F93-N99 WeakPolarHBondContact CZ-O 3.4Å; F93-W103 HydrophobicContact CD1-CE3 4.02Å; F93-W103 HydrophobicContact CE1-CB 4.05Å; F93-W103 HydrophobicContact CE1-CD2 4.39Å; F93-W103 AromaticContact CE1-CE3 3.7Å; F93-W103 HydrophobicContact CE1-CE3 3.7Å
94P98.5Very high96.9Very high0 Ų032.8 Ų32.80%017%0.168CC..  cis-73.4154.3-3.331.6-37000112.9F7 L9 N99 R100 I159 Y163F7-P94 HydrophobicContact CE2-CG 4.42Å; L9-P94 WeakPolarHBondContact CD2-O 3.42Å; P94-N99 HydrophobicContact CB-CB 3.56Å; P94-R100 HydrophobicContact CB-CB 4.24Å; P94-R100 HydrophobicContact CG-CB 4.31Å; P94-I159 HydrophobicContact CB-CD1 4.26Å; P94-I159 HydrophobicContact CG-CD1 4.37Å; P94-I159 HydrophobicContact CG-CG2 3.96Å; P94-Y163 HydrophobicContact CG-CE2 4.5Å
95R97.4Very high97.6Very high76 Ų7633.9 Ų33.929%0.28717%0.166SC..  trans-111.3-17.5178.4-69.6-170.2169.4-168.11.6115.3I62 G92 N99 E155 C156I62-R95 HydrophobicContact CD1-CB 3.54Å; I62-R95 HydrophobicContact CD1-CG 4.28Å; G92-R95 VanDerWaalsContact O-CG 3.23Å; G92-R95 WeakPolarHBondContact O-CG 3.4Å; G92-R95 PolarHBondContact O-NE 3.4Å; R95-N99 PolarHBondContact N-OD1 2.85Å; R95-N99 VanDerWaalsContact N-OD1 3.14Å; R95-E155 CarbonylContact O-C 3.57Å; R95-C156 WeakPolarHBondContact O-CA 3.11Å; R95-C156 WeakPolarHBondContact O-CB 3.27Å; R95-C156 PolarHBondContact O-N 2.78Å
96N97.8Very high98Very high16 Ų1635.8 Ų35.89%0.08618%0.176CC..SBendtrans-147.6174.4174.369.81.7000110.8D98 N99 R100 E155 I159N96-D98 VanDerWaalsContact C-N 3.3Å; N96-D98 PolarHBondContact O-N 3.33Å; N96-D98 PolarHBondContact OD1-N 2.95Å; N96-N99 WeakPolarHBondContact O-CB 3.47Å; N96-N99 PolarHBondContact O-N 3.07Å; N96-N99 WeakPolarHBondContact OD1-CB 3.34Å; N96-N99 PolarHBondContact OD1-N 2.88Å; N96-N99 PolarHBondContact OD1-ND2 3.29Å; N96-R100 PolarHBondContact O-N 2.94Å; N96-R100 VanDerWaalsContact O-N 3.13Å; N96-E155 HydrophobicContact CB-CB 3.82Å; N96-E155 HydrophobicContact CB-CG 4.41Å; N96-E155 WeakPolarHBondContact CB-OE2 3.44Å; N96-E155 PolarHBondContact ND2-OE2 3.37Å; N96-I159 VanDerWaalsContact N-CD1 3.26Å; N96-I159 VanDerWaalsContact O-CD1 3.23Å; N96-I159 WeakPolarHBondContact O-CD1 3.41Å
97D98Very high98.2Very high72 Ų7235.1 Ų35.139%0.38517%0.172SC..Hα-helixtrans-66.4-33.1-175.1-151.152.2000112.6N99 R100 L101D97-N99 VanDerWaalsContact C-N 3.31Å; D97-N99 PolarHBondContact O-N 3.38Å; D97-R100 VanDerWaalsContact CG-NH2 3.32Å; D97-R100 WeakPolarHBondContact O-CB 3.26Å; D97-R100 PolarHBondContact O-N 2.97Å; D97-R100 VanDerWaalsContact O-N 3.09Å; D97-R100 IonicContact OD1-CZ 3.79Å; D97-R100 IonicContact OD1-NE 3.53Å; D97-R100 PolarHBondContact OD1-NE 2.98Å; D97-R100 IonicContact OD1-NH2 2.6Å; D97-R100 PolarHBondContact OD1-NH2 2.92Å; D97-R100 IonicContact OD2-NH2 2.91Å; D97-R100 PolarHBondContact OD2-NH2 2.94Å; D97-L101 WeakPolarHBondContact O-CB 3.33Å; D97-L101 WeakPolarHBondContact O-CG 3.28Å; D97-L101 PolarHBondContact O-N 3.33Å
98D98.2Very high98.2Very high112 Ų11236.1 Ų36.160%0.59918%0.183SC*.Hα-helixtrans-59.5-41.2173.4-69.3-17.1000112N96 C102N96-D98 VanDerWaalsContact C-N 3.3Å; N96-D98 PolarHBondContact O-N 3.33Å; N96-D98 PolarHBondContact OD1-N 2.95Å; D98-C102 WeakPolarHBondContact O-CB 3.38Å; D98-C102 PolarHBondContact O-N 2.9Å
99N98.6Very high98.2Very high4 Ų439.6 Ų39.62%0.02121%0.205CC..Hα-helixtrans-61.3-46.4172.9-73.2-173.1000111.3A65 F93 P94 R95 N96 D97 C102 W103A65-N99 WeakPolarHBondContact CB-ND2 3.2Å; F93-N99 HydrophobicContact CD2-CB 4.19Å; F93-N99 HydrophobicContact CE1-CB 4.3Å; F93-N99 HydrophobicContact CE2-CB 3.47Å; F93-N99 VanDerWaalsContact CE2-CB 3.47Å; F93-N99 WeakPolarHBondContact CE2-OD1 3.39Å; F93-N99 HydrophobicContact CZ-CB 3.53Å; F93-N99 WeakPolarHBondContact CZ-O 3.4Å; P94-N99 HydrophobicContact CB-CB 3.56Å; R95-N99 PolarHBondContact N-OD1 2.85Å; R95-N99 VanDerWaalsContact N-OD1 3.14Å; N96-N99 WeakPolarHBondContact O-CB 3.47Å; N96-N99 PolarHBondContact O-N 3.07Å; N96-N99 WeakPolarHBondContact OD1-CB 3.34Å; N96-N99 PolarHBondContact OD1-N 2.88Å; N96-N99 PolarHBondContact OD1-ND2 3.29Å; D97-N99 VanDerWaalsContact C-N 3.31Å; D97-N99 PolarHBondContact O-N 3.38Å; N99-C102 PolarHBondContact O-N 3.47Å; N99-W103 WeakPolarHBondContact O-CB 3.44Å; N99-W103 PolarHBondContact O-N 3.41Å
100R98.6Very high98.2Very high17 Ų1743 Ų436%0.06422%0.221CC..Hα-helixtrans-62.1-49.1-179.9-173.5-1706173.23.6111.4P94 N96 D97 W103 E104 I159 Y163P94-R100 HydrophobicContact CB-CB 4.24Å; P94-R100 HydrophobicContact CG-CB 4.31Å; N96-R100 PolarHBondContact O-N 2.94Å; N96-R100 VanDerWaalsContact O-N 3.13Å; D97-R100 VanDerWaalsContact CG-NH2 3.32Å; D97-R100 WeakPolarHBondContact O-CB 3.26Å; D97-R100 PolarHBondContact O-N 2.97Å; D97-R100 VanDerWaalsContact O-N 3.09Å; D97-R100 IonicContact OD1-CZ 3.79Å; D97-R100 IonicContact OD1-NE 3.53Å; D97-R100 PolarHBondContact OD1-NE 2.98Å; D97-R100 IonicContact OD1-NH2 2.6Å; D97-R100 PolarHBondContact OD1-NH2 2.92Å; D97-R100 IonicContact OD2-NH2 2.91Å; D97-R100 PolarHBondContact OD2-NH2 2.94Å; R100-W103 WeakPolarHBondContact O-CB 3.42Å; R100-W103 PolarHBondContact O-N 2.99Å; R100-E104 IonicContact NH1-OE2 3.1Å; R100-E104 PolarHBondContact NH1-OE2 2.99Å; R100-E104 WeakPolarHBondContact O-CB 3.36Å; R100-E104 PolarHBondContact O-N 3.44Å; R100-I159 HydrophobicContact CG-CG2 4.44Å; R100-Y163 HydrophobicContact CG-CE2 4.23Å; R100-Y163 VanDerWaalsContact CG-OH 3.31Å; R100-Y163 WeakPolarHBondContact CG-OH 3.33Å
101L98.6Very high98.1Very high79 Ų7943.5 Ų43.541%0.41422%0.224SC..Hα-helixtrans-64.6-41179.4-70.7171.8000111.7D97 E104 K105D97-L101 WeakPolarHBondContact O-CB 3.33Å; D97-L101 WeakPolarHBondContact O-CG 3.28Å; D97-L101 PolarHBondContact O-N 3.33Å; L101-E104 PolarHBondContact O-N 3.01Å; L101-K105 WeakPolarHBondContact O-CB 3.32Å; L101-K105 PolarHBondContact O-N 2.77Å
102C98.7Very high98Very high13 Ų1346.6 Ų46.69%0.08824%0.239CC..Hα-helixtrans-61.3-45.7174.2-1740000111.4A65 D98 N99 K105 D106A65-C102 HydrophobicContact CB-CB 3.54Å; D98-C102 WeakPolarHBondContact O-CB 3.38Å; D98-C102 PolarHBondContact O-N 2.9Å; N99-C102 PolarHBondContact O-N 3.47Å; C102-K105 PolarHBondContact O-N 2.92Å; C102-D106 WeakPolarHBondContact O-CB 3.35Å; C102-D106 PolarHBondContact O-N 2.88Å
103W98.7Very high98.1Very high8 Ų848.1 Ų48.13%0.0325%0.246CC..Hα-helixtrans-59.4-50.4174.8176.9-76.7000111.8T5 F7 L72 M76 V90 F93 N99 R100 K105 D106 L107 G108 T111T5-W103 HydrophobicContact CG2-CH2 4.07Å; T5-W103 HydrophobicContact CG2-CZ2 3.96Å; F7-W103 AromaticContact CE1-CD2 3.89Å; F7-W103 HydrophobicContact CE1-CD2 3.89Å; F7-W103 AromaticContact CE1-CE2 3.71Å; F7-W103 HydrophobicContact CE1-CE3 4.03Å; F7-W103 AromaticContact CE1-CH2 3.81Å; F7-W103 HydrophobicContact CE1-CH2 3.81Å; F7-W103 AromaticContact CE1-CZ2 3.68Å; F7-W103 HydrophobicContact CE1-CZ2 3.68Å; F7-W103 AromaticContact CE1-CZ3 3.98Å; F7-W103 HydrophobicContact CE1-CZ3 3.98Å; F7-W103 AromaticContact CZ-CD1 3.9Å; F7-W103 AromaticContact CZ-CD2 3.72Å; F7-W103 HydrophobicContact CZ-CD2 3.72Å; F7-W103 AromaticContact CZ-CE2 3.49Å; F7-W103 VanDerWaalsContact CZ-CE2 3.49Å; F7-W103 HydrophobicContact CZ-CE3 4.3Å; F7-W103 AromaticContact CZ-CG 4Å; F7-W103 HydrophobicContact CZ-CG 4Å; F7-W103 HydrophobicContact CZ-CH2 4.43Å; F7-W103 AromaticContact CZ-CZ2 3.89Å; F7-W103 HydrophobicContact CZ-CZ2 3.89Å; F7-W103 AromaticContact CZ-NE1 3.64Å; L72-W103 HydrophobicContact CD1-CZ3 4.18Å; M76-W103 HydrophobicContact CE-CH2 3.47Å; M76-W103 VanDerWaalsContact CE-CH2 3.47Å; M76-W103 HydrophobicContact CE-CZ3 4Å; M76-W103 HydrophobicContact SD-CH2 4.47Å; V90-W103 HydrophobicContact CG1-CZ3 4.18Å; V90-W103 HydrophobicContact CG2-CH2 3.83Å; V90-W103 HydrophobicContact CG2-CZ3 4.18Å; F93-W103 HydrophobicContact CD1-CE3 4.02Å; F93-W103 HydrophobicContact CE1-CB 4.05Å; F93-W103 HydrophobicContact CE1-CD2 4.39Å; F93-W103 AromaticContact CE1-CE3 3.7Å; F93-W103 HydrophobicContact CE1-CE3 3.7Å; N99-W103 WeakPolarHBondContact O-CB 3.44Å; N99-W103 PolarHBondContact O-N 3.41Å; R100-W103 WeakPolarHBondContact O-CB 3.42Å; R100-W103 PolarHBondContact O-N 2.99Å; W103-K105 VanDerWaalsContact C-N 3.28Å; W103-K105 PolarHBondContact O-N 3.13Å; W103-D106 PolarHBondContact O-N 3.36Å; W103-L107 HydrophobicContact CD2-CB 3.91Å; W103-L107 HydrophobicContact CD2-CD2 4.05Å; W103-L107 HydrophobicContact CE3-CB 4.22Å; W103-L107 HydrophobicContact CE3-CD2 3.47Å; W103-L107 VanDerWaalsContact CE3-CD2 3.47Å; W103-L107 HydrophobicContact CE3-CG 4.44Å; W103-L107 HydrophobicContact CG-CB 4.25Å; W103-L107 HydrophobicContact CH2-CD2 3.83Å; W103-L107 HydrophobicContact CZ2-CB 4.34Å; W103-L107 HydrophobicContact CZ2-CD2 4.34Å; W103-L107 HydrophobicContact CZ3-CD2 3.35Å; W103-L107 CarbonylContact O-C 3.43Å; W103-L107 WeakPolarHBondContact O-CA 3.3Å; W103-L107 WeakPolarHBondContact O-CB 3.31Å; W103-L107 PolarHBondContact O-N 3.26Å; W103-G108 PolarHBondContact O-N 3.02Å; W103-T111 HydrophobicContact CH2-CG2 4.35Å; W103-T111 HydrophobicContact CZ2-CG2 3.78Å; W103-T111 PolarHBondContact NE1-OG1 2.83Å
104E98.2Very high98Very high109 Ų10951.2 Ų51.251%0.50926%0.259SS..Hα-helixtrans-58.3-42.9-177.8-175172-17500111.4R100 L101 G108R100-E104 IonicContact NH1-OE2 3.1Å; R100-E104 PolarHBondContact NH1-OE2 2.99Å; R100-E104 WeakPolarHBondContact O-CB 3.36Å; R100-E104 PolarHBondContact O-N 3.44Å; L101-E104 PolarHBondContact O-N 3.01Å; E104-G108 WeakPolarHBondContact O-CA 3.29Å; E104-G108 PolarHBondContact O-N 3.1Å
105K98.5Very high97.9Very high156 Ų15651.7 Ų51.768%0.67826%0.262SS*.Hα-helixtrans-66.8-52.3177-177.5-178.3176.6174.50112.9L101 C102 W103L101-K105 WeakPolarHBondContact O-CB 3.32Å; L101-K105 PolarHBondContact O-N 2.77Å; C102-K105 PolarHBondContact O-N 2.92Å; W103-K105 VanDerWaalsContact C-N 3.28Å; W103-K105 PolarHBondContact O-N 3.13Å
106D98Very high98Very high47 Ų4748.1 Ų48.125%0.25125%0.248SC..Hα-helixtrans-93.1-38-166.5-64.3-8000113K66 C102 W103 H110K66-D106 WeakPolarHBondContact CD-OD2 3.36Å; K66-D106 WeakPolarHBondContact CE-OD2 3.4Å; K66-D106 IonicContact NZ-OD1 3.35Å; K66-D106 PolarHBondContact NZ-OD1 3.34Å; K66-D106 IonicContact NZ-OD2 3.18Å; K66-D106 PolarHBondContact NZ-OD2 3.02Å; C102-D106 WeakPolarHBondContact O-CB 3.35Å; C102-D106 PolarHBondContact O-N 2.88Å; W103-D106 PolarHBondContact O-N 3.36Å; D106-H110 PolarHBondContact O-CD2 2.91Å
107L98.2Very high98Very high4 Ų447.3 Ų47.32%0.02124%0.244CC..THydrogen-bonded Turntrans-107.4-20.6-174.5-82.467.9000112.3C69 Y73 W103 H110 T111C69-L107 HydrophobicContact CB-CD1 3.88Å; Y73-L107 HydrophobicContact CD2-CG 4.34Å; Y73-L107 HydrophobicContact CG-CG 4.49Å; W103-L107 HydrophobicContact CD2-CB 3.91Å; W103-L107 HydrophobicContact CD2-CD2 4.05Å; W103-L107 HydrophobicContact CE3-CB 4.22Å; W103-L107 HydrophobicContact CE3-CD2 3.47Å; W103-L107 VanDerWaalsContact CE3-CD2 3.47Å; W103-L107 HydrophobicContact CE3-CG 4.44Å; W103-L107 HydrophobicContact CG-CB 4.25Å; W103-L107 HydrophobicContact CH2-CD2 3.83Å; W103-L107 HydrophobicContact CZ2-CB 4.34Å; W103-L107 HydrophobicContact CZ2-CD2 4.34Å; W103-L107 HydrophobicContact CZ3-CD2 3.35Å; W103-L107 CarbonylContact O-C 3.43Å; W103-L107 WeakPolarHBondContact O-CA 3.3Å; W103-L107 WeakPolarHBondContact O-CB 3.31Å; W103-L107 PolarHBondContact O-N 3.26Å; L107-H110 CarbonylContact O-C 3.55Å; L107-H110 WeakPolarHBondContact O-CA 3.44Å; L107-H110 PolarHBondContact O-N 3.06Å; L107-T111 HydrophobicContact CB-CG2 4.36Å; L107-T111 WeakPolarHBondContact O-CB 3.38Å; L107-T111 WeakPolarHBondContact O-CG2 3.45Å; L107-T111 PolarHBondContact O-N 2.88Å; L107-T111 PolarHBondContact O-OG1 3.31Å
108G97.7Very high98.1Very high24 Ų2443.9 Ų43.925%0.24723%0.226CC..G310 helixtrans-52.7-43.8176.200000114W103 E104 H110 T111W103-G108 PolarHBondContact O-N 3.02Å; E104-G108 WeakPolarHBondContact O-CA 3.29Å; E104-G108 PolarHBondContact O-N 3.1Å; G108-H110 PolarHBondContact O-N 3.12Å; G108-T111 PolarHBondContact O-N 3.2Å; G108-T111 VanDerWaalsContact O-O 3.11Å
109P97.8Very high98.1Very high73 Ų7338.7 Ų38.747%0.47420%0.198SC..G310 helixtrans-61.1-24.1174.7-26.836.7000114.3K2K2-P109 WeakPolarHBondContact CE-O 3.29Å
110H97.4Very high98Very high72 Ų7241.3 Ų41.333%0.33321%0.212SC..G310 helixtrans-104.7-5.5-175.4-56-63.9000113.7K2 F3 Y73 D106 L107 G108K2-H110 CarbonylContact C-O 3.57Å; K2-H110 VanDerWaalsContact CA-O 3.23Å; K2-H110 WeakPolarHBondContact CA-O 3.46Å; F3-H110 PolarHBondContact N-O 2.69Å; Y73-H110 HydrophobicContact CE2-CB 4Å; D106-H110 PolarHBondContact O-CD2 2.91Å; L107-H110 CarbonylContact O-C 3.55Å; L107-H110 WeakPolarHBondContact O-CA 3.44Å; L107-H110 PolarHBondContact O-N 3.06Å; G108-H110 PolarHBondContact O-N 3.12Å
111T97.8Very high98Very high9 Ų941.6 Ų41.66%0.05522%0.216CC..EExtended strand (participates in β ladder)trans-129158.4-172.460.40000112.1F3 T5 M76 W103 L107 G108F3-T111 HydrophobicContact CB-CG2 4.34Å; F3-T111 CarbonylContact O-C 3.6Å; F3-T111 VanDerWaalsContact O-CA 3.25Å; F3-T111 WeakPolarHBondContact O-CA 3.26Å; T5-T111 HydrophobicContact CG2-CG2 3.88Å; M76-T111 HydrophobicContact SD-CG2 4.39Å; W103-T111 HydrophobicContact CH2-CG2 4.35Å; W103-T111 HydrophobicContact CZ2-CG2 3.78Å; W103-T111 PolarHBondContact NE1-OG1 2.83Å; L107-T111 HydrophobicContact CB-CG2 4.36Å; L107-T111 WeakPolarHBondContact O-CB 3.38Å; L107-T111 WeakPolarHBondContact O-CG2 3.45Å; L107-T111 PolarHBondContact O-N 2.88Å; L107-T111 PolarHBondContact O-OG1 3.31Å; G108-T111 PolarHBondContact O-N 3.2Å; G108-T111 VanDerWaalsContact O-O 3.11Å
112I96.7Very high97.9Very high76 Ų7640.3 Ų40.339%0.3921%0.213SC..EExtended strand (participates in β ladder)trans-125.1110.7168-58.7173.2000106K2 F3 T5 K114K2-I112 HydrophobicContact CB-CD1 4.03Å; K2-I112 HydrophobicContact CB-CG1 3.86Å; K2-I112 HydrophobicContact CD-CD1 4.16Å; K2-I112 HydrophobicContact CD-CG1 3.71Å; K2-I112 HydrophobicContact CG-CG1 4.44Å; F3-I112 PolarHBondContact O-N 3.4Å; T5-I112 PolarHBondContact N-O 3.23Å; T5-I112 PolarHBondContact OG1-O 3.48Å; I112-K114 HydrophobicContact CG2-CD 3.83Å; I112-K114 PolarHBondContact O-N 2.98Å
113L97.5Very high97.8Very high41 Ų4142.1 Ų42.122%0.21522%0.221CC..EExtended strand (participates in β ladder)trans-71.1115.5174-178.161000109.1F7 N115 V116 Y163 L168F7-L113 HydrophobicContact CD1-CD1 4.44Å; F7-L113 HydrophobicContact CD2-CD1 3.55Å; F7-L113 HydrophobicContact CD2-CD2 3.98Å; F7-L113 HydrophobicContact CD2-CG 4.45Å; F7-L113 HydrophobicContact CE2-CD1 3.66Å; F7-L113 HydrophobicContact CE2-CD2 3.73Å; F7-L113 HydrophobicContact CE2-CG 4.32Å; F7-L113 HydrophobicContact CG-CD1 3.95Å; F7-L113 HydrophobicContact CZ-CD1 4.15Å; L113-N115 WeakPolarHBondContact CD1-O 3.35Å; L113-V116 HydrophobicContact CD1-CG2 4.31Å; L113-V116 HydrophobicContact CD2-CG2 4Å; L113-V116 HydrophobicContact CG-CG2 4.5Å; L113-Y163 HydrophobicContact CD2-CD1 3.92Å; L113-Y163 HydrophobicContact CD2-CE1 3.5Å; L113-Y163 VanDerWaalsContact CD2-CE1 3.5Å; L113-L168 HydrophobicContact CD2-CD1 4.1Å
114K97.1Very high97.6Very high68 Ų6847 Ų4730%0.29625%0.248SC..EExtended strand (participates in β ladder)trans-94.9-32-178.7-60-63-66.5-173.10112.7N4 T5 I112 I194N4-K114 HydrophobicContact CB-CG 3.9Å; T5-K114 PolarHBondContact O-N 3.05Å; I112-K114 HydrophobicContact CG2-CD 3.83Å; I112-K114 PolarHBondContact O-N 2.98Å; K114-I194 HydrophobicContact CB-CD1 3.74Å; K114-I194 HydrophobicContact CD-CD1 4.4Å; K114-I194 HydrophobicContact CD-CG1 4.47Å; K114-I194 HydrophobicContact CG-CD1 3.69Å; K114-I194 HydrophobicContact CG-CG1 4.26Å
115N97.6Very high97.5Very high10 Ų1043.2 Ų43.25%0.05323%0.232CC..EExtended strand (participates in β ladder)trans-163.2157.8178.5-154.9-85.7000112C6 F7 L113 I117 L168 T170 L192C6-N115 CarbonylContact C-O 3.58Å; C6-N115 VanDerWaalsContact CA-O 3.23Å; C6-N115 WeakPolarHBondContact CA-O 3.43Å; C6-N115 HydrophobicContact CB-CB 4.41Å; F7-N115 PolarHBondContact N-O 3.4Å; L113-N115 WeakPolarHBondContact CD1-O 3.35Å; N115-I117 HydrophobicContact CB-CG1 4.42Å; N115-I117 PolarHBondContact OD1-N 2.79Å; N115-L168 CarbonylContact C-O 3.47Å; N115-L168 WeakPolarHBondContact CA-O 3.34Å; N115-L168 PolarHBondContact OD1-O 3.43Å; N115-T170 PolarHBondContact ND2-OG1 3.26Å; N115-T170 VanDerWaalsContact ND2-OG1 3.13Å; N115-T170 PolarHBondContact OD1-OG1 3.35Å; N115-L192 HydrophobicContact CB-CD1 4.14Å; N115-L192 HydrophobicContact CB-CD2 3.83Å
116V98.5Very high97.4Very high0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-117100.9165.2-177.60000108.2F7 L9 L113 V118 Y163 L168 V169 T170F7-V116 HydrophobicContact CB-CG1 4.26Å; F7-V116 HydrophobicContact CB-CG2 4.32Å; F7-V116 HydrophobicContact CD2-CG2 3.93Å; F7-V116 CarbonylContact O-C 3.45Å; L9-V116 HydrophobicContact CD1-CG1 3.74Å; L9-V116 HydrophobicContact CG-CG1 4.27Å; L113-V116 HydrophobicContact CD1-CG2 4.31Å; L113-V116 HydrophobicContact CD2-CG2 4Å; L113-V116 HydrophobicContact CG-CG2 4.5Å; V116-V118 HydrophobicContact CG1-CG2 4.09Å; V116-V118 PolarHBondContact O-N 3.3Å; V116-Y163 HydrophobicContact CG2-CD1 4.25Å; V116-Y163 HydrophobicContact CG2-CD2 3.85Å; V116-Y163 HydrophobicContact CG2-CE2 4.43Å; V116-Y163 HydrophobicContact CG2-CG 3.74Å; V116-L168 HydrophobicContact CG2-CB 4.48Å; V116-L168 PolarHBondContact N-O 2.94Å; V116-V169 HydrophobicContact CB-CG2 3.94Å; V116-V169 HydrophobicContact CG1-CG2 4.15Å; V116-V169 VanDerWaalsContact O-CA 3.31Å; V116-V169 WeakPolarHBondContact O-CA 3.32Å; V116-T170 PolarHBondContact O-N 2.97Å
117I98.5Very high97.2Very high0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-85113.6-178.4-56.2165000108C6 F7 V8 L9 I23 L89 N115 L119 T170 I172 M188C6-I117 HydrophobicContact CB-CD1 4.04Å; F7-I117 PolarHBondContact O-N 2.9Å; V8-I117 CarbonylContact C-O 3.49Å; V8-I117 WeakPolarHBondContact CA-O 3.37Å; V8-I117 HydrophobicContact CG2-CB 4.46Å; V8-I117 HydrophobicContact CG2-CD1 4.24Å; L9-I117 PolarHBondContact N-O 3.4Å; I23-I117 HydrophobicContact CD1-CD1 4.1Å; L89-I117 HydrophobicContact CD2-CD1 4.41Å; N115-I117 HydrophobicContact CB-CG1 4.42Å; N115-I117 PolarHBondContact OD1-N 2.79Å; I117-L119 HydrophobicContact CG2-CD1 3.99Å; I117-T170 WeakPolarHBondContact CA-O 3.5Å; I117-I172 HydrophobicContact CG2-CD1 3.48Å; I117-I172 VanDerWaalsContact CG2-CD1 3.48Å; I117-I172 HydrophobicContact CG2-CG1 4.16Å; I117-M188 HydrophobicContact CD1-CE 3.53Å; I117-M188 HydrophobicContact CD1-SD 3.98Å; I117-M188 HydrophobicContact CG1-CE 3.84Å; I117-M188 HydrophobicContact CG1-SD 4.07Å; I117-M188 HydrophobicContact CG2-CE 4.17Å
118V98.6Very high97Very high0 Ų042.7 Ų42.70%023%0.232CC..EExtended strand (participates in β ladder)trans-108.5119.5-178.1-179.60000109.5L9 V116 I160 V169 T170 R171 I172L9-V118 HydrophobicContact CB-CG2 4.49Å; L9-V118 WeakPolarHBondContact O-CA 3.16Å; V116-V118 HydrophobicContact CG1-CG2 4.09Å; V116-V118 PolarHBondContact O-N 3.3Å; V118-I160 HydrophobicContact CG1-CD1 3.96Å; V118-I160 HydrophobicContact CG2-CD1 4.11Å; V118-I160 HydrophobicContact CG2-CG1 4.02Å; V118-I160 HydrophobicContact CG2-CG2 3.87Å; V118-V169 HydrophobicContact CB-CG1 4.42Å; V118-V169 HydrophobicContact CG2-CG1 3.81Å; V118-T170 PolarHBondContact N-O 3.29Å; V118-R171 HydrophobicContact CB-CG 4.34Å; V118-R171 CarbonylContact O-C 3.57Å; V118-R171 WeakPolarHBondContact O-CA 3.39Å; V118-I172 PolarHBondContact O-N 3.26Å
119L98.5Very high96.8Very high3 Ų345.6 Ų45.62%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-89.5109174-80.968000109.6V8 L9 A14 G15 K16 V19 I117 I172 A174V8-L119 HydrophobicContact CG1-CD1 3.95Å; L9-L119 PolarHBondContact O-N 2.94Å; A14-L119 HydrophobicContact CB-CB 3.96Å; A14-L119 WeakPolarHBondContact O-CD2 3.22Å; G15-L119 VanDerWaalsContact C-CD2 3.42Å; K16-L119 HydrophobicContact CB-CD2 4.47Å; K16-L119 HydrophobicContact CG-CD2 4.13Å; V19-L119 HydrophobicContact CB-CD2 4.27Å; V19-L119 HydrophobicContact CG1-CD1 4.49Å; V19-L119 HydrophobicContact CG2-CD1 4.43Å; V19-L119 HydrophobicContact CG2-CD2 3.75Å; V19-L119 HydrophobicContact CG2-CG 4.31Å; I117-L119 HydrophobicContact CG2-CD1 3.99Å; L119-I172 WeakPolarHBondContact CA-O 2.93Å; L119-A174 HydrophobicContact CB-CB 3.88Å; L119-A174 HydrophobicContact CD2-CB 4.11Å; L119-A174 HydrophobicContact CG-CB 4.05Å
120D98Very high96.6Very high59 Ų5942.2 Ų42.232%0.31621%0.213SC..EExtended strand (participates in β ladder)trans-85.4117.2174.9-70.6-37.4000109.4R171 I172 A174D120-R171 IonicContact OD1-NH1 3.64Å; D120-R171 PolarHBondContact OD1-NH1 3.24Å; D120-R171 WeakPolarHBondContact OD2-CB 3.4Å; D120-R171 WeakPolarHBondContact OD2-CD 3.27Å; D120-R171 IonicContact OD2-NH1 2.94Å; D120-R171 PolarHBondContact OD2-NH1 2.6Å; D120-I172 PolarHBondContact N-O 3.41Å; D120-A174 PolarHBondContact O-N 3.12Å
121C97.3Very high96.2Very high22 Ų2243.2 Ų43.215%0.14922%0.221CC..  trans-147.4133.4-179.9-175.90000109.2A14 C126 R129 A174A14-C121 HydrophobicContact CB-CB 4.04Å; C121-C126 VanDerWaalsContact SG-SG 3.62Å; C121-R129 PolarHBondContact SG-NH1 3.39Å; C121-R129 VanDerWaalsContact SG-NH1 3.4Å; C121-A174 HydrophobicContact CB-CB 4.23Å
122P97.2Very high95.9Very high53 Ų5345.5 Ų45.534%0.34425%0.246SC..  trans-53.9146.3173.9-28.336.8000113.1D124 V125 C126 N175P122-D124 WeakPolarHBondContact CB-OD1 3.47Å; P122-V125 HydrophobicContact CB-CB 4.36Å; P122-V125 HydrophobicContact CB-CG2 4.1Å; P122-V125 HydrophobicContact CG-CG2 4.42Å; P122-V125 PolarHBondContact O-N 2.92Å; P122-C126 WeakPolarHBondContact O-CB 3.38Å; P122-C126 PolarHBondContact O-N 3.35Å; P122-C126 PolarHBondContact O-SG 3.46Å; P122-C126 VanDerWaalsContact O-SG 3.33Å; P122-N175 HydrophobicContact CG-CB 4.42Å
123D95.4Very high95.3Very high51 Ų5145.8 Ų45.827%0.27324%0.242SC..Hα-helixtrans-65.7-39.3-175.3-66.5-33.3000112.7C126 I127 I149 K153D123-C126 VanDerWaalsContact O-CB 3.27Å; D123-C126 WeakPolarHBondContact O-CB 3.38Å; D123-C126 PolarHBondContact O-N 2.95Å; D123-I127 VanDerWaalsContact O-CG1 3.22Å; D123-I127 WeakPolarHBondContact O-CG1 3.23Å; D123-I127 PolarHBondContact O-N 2.84Å; D123-I149 HydrophobicContact CB-CD1 4.38Å; D123-I149 HydrophobicContact CB-CG2 4.37Å; D123-K153 WeakPolarHBondContact OD2-CE 3.35Å; D123-K153 IonicContact OD2-NZ 2.68Å; D123-K153 PolarHBondContact OD2-NZ 3Å
124D95.7Very high94.3Very high110 Ų11053.6 Ų53.659%0.58827%0.274SS*.Hα-helixtrans-61.1-44.6176.560.8-33.2000111.3P122 C126 I127 Q128P122-D124 WeakPolarHBondContact CB-OD1 3.47Å; D124-C126 VanDerWaalsContact C-N 3.35Å; D124-I127 PolarHBondContact O-N 2.95Å; D124-Q128 WeakPolarHBondContact O-CB 3.32Å; D124-Q128 PolarHBondContact O-N 3.46Å
125V95.9Very high93.2Very high29 Ų2952.6 Ų52.618%0.17628%0.276CS..Hα-helixtrans-63.5-42.3173.61780000110.9P122 Q128 R129P122-V125 HydrophobicContact CB-CB 4.36Å; P122-V125 HydrophobicContact CB-CG2 4.1Å; P122-V125 HydrophobicContact CG-CG2 4.42Å; P122-V125 PolarHBondContact O-N 2.92Å; V125-Q128 PolarHBondContact O-N 3.07Å; V125-R129 HydrophobicContact CG1-CG 4.45Å; V125-R129 WeakPolarHBondContact O-CB 3.43Å; V125-R129 VanDerWaalsContact O-CG 3.22Å; V125-R129 WeakPolarHBondContact O-CG 3.39Å; V125-R129 PolarHBondContact O-N 3.18Å
126C95.4Very high92.2Very high0 Ų060.3 Ų60.30%032%0.317CS..Hα-helixtrans-58.1-49.3174.9-81.70000112.1P12 C121 P122 D123 D124 R129 C130P12-C126 WeakPolarHBondContact O-CB 3.49Å; C121-C126 VanDerWaalsContact SG-SG 3.62Å; P122-C126 WeakPolarHBondContact O-CB 3.38Å; P122-C126 PolarHBondContact O-N 3.35Å; P122-C126 PolarHBondContact O-SG 3.46Å; P122-C126 VanDerWaalsContact O-SG 3.33Å; D123-C126 VanDerWaalsContact O-CB 3.27Å; D123-C126 WeakPolarHBondContact O-CB 3.38Å; D123-C126 PolarHBondContact O-N 2.95Å; D124-C126 VanDerWaalsContact C-N 3.35Å; C126-R129 PolarHBondContact O-N 2.99Å; C126-C130 PolarHBondContact O-N 3.45Å; C126-C130 PolarHBondContact O-SG 2.6Å
127I93.8Very high91.6Very high48 Ų4864.4 Ų64.425%0.24633%0.332CS..Hα-helixtrans-61-50.1177.6-68.6163.4000110.1D123 D124 R129 C130 L131 I149D123-I127 VanDerWaalsContact O-CG1 3.22Å; D123-I127 WeakPolarHBondContact O-CG1 3.23Å; D123-I127 PolarHBondContact O-N 2.84Å; D124-I127 PolarHBondContact O-N 2.95Å; I127-R129 VanDerWaalsContact C-N 3.28Å; I127-R129 PolarHBondContact O-N 2.98Å; I127-C130 WeakPolarHBondContact O-CA 3.35Å; I127-C130 WeakPolarHBondContact O-CB 3.45Å; I127-C130 PolarHBondContact O-N 3Å; I127-L131 HydrophobicContact CG2-CD1 3.74Å; I127-L131 HydrophobicContact CG2-CG 4.21Å; I127-L131 WeakPolarHBondContact O-CG 3.5Å; I127-L131 PolarHBondContact O-N 3.31Å; I127-I149 HydrophobicContact CD1-CD1 3.63Å; I127-I149 HydrophobicContact CG1-CD1 3.4Å; I127-I149 VanDerWaalsContact CG1-CD1 3.4Å
128Q94.2Very high90.8Very high149 Ų14967.8 Ų67.870%0.69635%0.353SS*.Hα-helixtrans-56.6-43.5178.4-173.1-173.7-58.700111.3D124 V125 C130 G132D124-Q128 WeakPolarHBondContact O-CB 3.32Å; D124-Q128 PolarHBondContact O-N 3.46Å; V125-Q128 PolarHBondContact O-N 3.07Å; Q128-C130 VanDerWaalsContact C-N 3.34Å; Q128-C130 PolarHBondContact O-N 2.94Å; Q128-G132 PolarHBondContact O-N 3.47Å
129R94.4Very high90Very high84 Ų8468.4 Ų68.432%0.31736%0.356SS..Hα-helixtrans-66.3-31.4176.1-73.3171.9179.7177.42.1113G13 A14 C121 V125 C126 I127 R133 A174G13-R129 WeakPolarHBondContact O-CD 3.48Å; A14-R129 PolarHBondContact O-NH1 3.2Å; C121-R129 PolarHBondContact SG-NH1 3.39Å; C121-R129 VanDerWaalsContact SG-NH1 3.4Å; V125-R129 HydrophobicContact CG1-CG 4.45Å; V125-R129 WeakPolarHBondContact O-CB 3.43Å; V125-R129 VanDerWaalsContact O-CG 3.22Å; V125-R129 WeakPolarHBondContact O-CG 3.39Å; V125-R129 PolarHBondContact O-N 3.18Å; C126-R129 PolarHBondContact O-N 2.99Å; I127-R129 VanDerWaalsContact C-N 3.28Å; I127-R129 PolarHBondContact O-N 2.98Å; R129-R133 WeakPolarHBondContact O-CG 3.2Å; R129-R133 PolarHBondContact O-NE 2.96Å; R129-A174 PolarHBondContact NH1-O 3.38Å; R129-A174 VanDerWaalsContact NH1-O 3.08Å; R129-A174 PolarHBondContact NH2-O 2.99Å
130C92.3Very high89.4Confident3 Ų369.1 Ų69.12%0.0236%0.36CS..Hα-helixtrans-70.2-53.3174-66.60000111.3C126 I127 Q128 G132 R133 L145C126-C130 PolarHBondContact O-N 3.45Å; C126-C130 PolarHBondContact O-SG 2.6Å; I127-C130 WeakPolarHBondContact O-CA 3.35Å; I127-C130 WeakPolarHBondContact O-CB 3.45Å; I127-C130 PolarHBondContact O-N 3Å; Q128-C130 VanDerWaalsContact C-N 3.34Å; Q128-C130 PolarHBondContact O-N 2.94Å; C130-G132 VanDerWaalsContact C-N 3.26Å; C130-G132 PolarHBondContact O-N 2.92Å; C130-R133 VanDerWaalsContact CA-CZ 3.5Å; C130-R133 VanDerWaalsContact CA-NH2 3.32Å; C130-R133 WeakPolarHBondContact O-CB 3.35Å; C130-R133 PolarHBondContact O-N 3.06Å; C130-R133 PolarHBondContact SG-NH2 3.38Å; C130-L145 HydrophobicContact CB-CD1 3.44Å; C130-L145 VanDerWaalsContact CB-CD1 3.44Å; C130-L145 HydrophobicContact CB-CD2 3.64Å; C130-L145 HydrophobicContact CB-CG 4.19Å; C130-L145 WeakPolarHBondContact SG-CD2 3.41Å
131L90.9Very high88.9Confident93 Ų9369.5 Ų69.549%0.48736%0.362SS..Hα-helixtrans-64.6-32.7-177.8-61.8176.7000111.9I127 R133 L145I127-L131 HydrophobicContact CG2-CD1 3.74Å; I127-L131 HydrophobicContact CG2-CG 4.21Å; I127-L131 WeakPolarHBondContact O-CG 3.5Å; I127-L131 PolarHBondContact O-N 3.31Å; L131-R133 PolarHBondContact O-N 3.44Å; L131-L145 HydrophobicContact CD2-CD1 3.88Å; L131-L145 HydrophobicContact CG-CD1 4.2Å
132G90.8Very high88.5Confident56 Ų5673.6 Ų73.658%0.57738%0.379SS*.THydrogen-bonded Turntrans-78.1-10.4178.200000115.6Q128 C130 K134Q128-G132 PolarHBondContact O-N 3.47Å; C130-G132 VanDerWaalsContact C-N 3.26Å; C130-G132 PolarHBondContact O-N 2.92Å; G132-K134 PolarHBondContact O-N 3.46Å; G132-K134 VanDerWaalsContact O-N 3.15Å
133R84.4Confident88.2Confident83 Ų8377.7 Ų77.731%0.31339%0.394SS..THydrogen-bonded Turntrans-69.9-10.7-171.8-109.2177.4-91.9142.8-13.2115R129 C130 L131 S135 D140R129-R133 WeakPolarHBondContact O-CG 3.2Å; R129-R133 PolarHBondContact O-NE 2.96Å; C130-R133 VanDerWaalsContact CA-CZ 3.5Å; C130-R133 VanDerWaalsContact CA-NH2 3.32Å; C130-R133 WeakPolarHBondContact O-CB 3.35Å; C130-R133 PolarHBondContact O-N 3.06Å; C130-R133 PolarHBondContact SG-NH2 3.38Å; L131-R133 PolarHBondContact O-N 3.44Å; R133-S135 PolarHBondContact O-N 3.36Å; R133-D140 IonicContact NH1-OD1 3.06Å; R133-D140 PolarHBondContact NH1-OD1 3.29Å; R133-D140 IonicContact NH1-OD2 3.36Å; R133-D140 PolarHBondContact NH1-OD2 2.94Å
134K75.6Confident88Confident204 Ų20475.7 Ų75.789%0.88738%0.383SS*.  trans4534.5-176.6-60.7-174.4179.8-177.90113.1G132G132-K134 PolarHBondContact O-N 3.46Å; G132-K134 VanDerWaalsContact O-N 3.15Å
135S75.3Confident87.8Confident47 Ų4770.5 Ų70.533%0.32936%0.356SS..  trans-95.5151.6-176.179.90000110.9R133 R137 D140R133-S135 PolarHBondContact O-N 3.36Å; S135-R137 PolarHBondContact O-N 3.32Å; S135-R137 WeakPolarHBondContact OG-CB 3.35Å; S135-R137 WeakPolarHBondContact OG-CG 3.37Å; S135-D140 PolarHBondContact OG-OD2 3.22Å
136N76.7Confident87.7Confident172 Ų17274.7 Ų74.792%0.9237%0.371SS*.  trans-75.724.8174.7-67.8-18.6000112.9V138N136-V138 PolarHBondContact O-N 3.15Å
137R83.9Confident87.6Confident86 Ų8679.3 Ų79.333%0.32539%0.393SS..  trans-75.6112179.1-78.1-176.5179.3169.92.1109.6S135 D139 D140S135-R137 PolarHBondContact O-N 3.32Å; S135-R137 WeakPolarHBondContact OG-CB 3.35Å; S135-R137 WeakPolarHBondContact OG-CG 3.37Å; R137-D139 WeakPolarHBondContact CB-OD1 3.36Å; R137-D139 PolarHBondContact O-N 3.19Å; R137-D139 VanDerWaalsContact O-N 3.11Å; R137-D140 HydrophobicContact CB-CB 4.03Å; R137-D140 WeakPolarHBondContact CD-OD2 3.5Å; R137-D140 PolarHBondContact O-N 3.49Å; R137-D140 VanDerWaalsContact O-N 3.12Å
138V82Confident87.6Confident71 Ų7178 Ų7843%0.4339%0.385SS..THydrogen-bonded Turntrans-57.3-24.4176.2-59.20000112.5N136 N141N136-V138 PolarHBondContact O-N 3.15Å; V138-N141 PolarHBondContact O-ND2 3.23Å; V138-N141 VanDerWaalsContact O-ND2 3.08Å
139D82.1Confident87.6Confident14 Ų1471.6 Ų71.68%0.07536%0.355CS..THydrogen-bonded Turntrans-92.55.7-178.767-48.7000115.1R137 T144 R148R137-D139 WeakPolarHBondContact CB-OD1 3.36Å; R137-D139 PolarHBondContact O-N 3.19Å; R137-D139 VanDerWaalsContact O-N 3.11Å; D139-T144 HydrophobicContact CB-CG2 3.85Å; D139-R148 PolarHBondContact O-NH1 3.46Å; D139-R148 IonicContact OD2-CZ 2.6Å; D139-R148 IonicContact OD2-NE 3.46Å; D139-R148 IonicContact OD2-NH1 2.98Å; D139-R148 PolarHBondContact OD2-NH1 2.95Å; D139-R148 VanDerWaalsContact OD2-NH1 3.1Å; D139-R148 IonicContact OD2-NH2 2.84Å; D139-R148 PolarHBondContact OD2-NH2 3.03Å
140D85.4Confident87.7Confident18 Ų1873 Ų7310%0.09636%0.363CS..  trans-97.324.5177.3-81.7-9.3000112.7R133 S135 R137 R148R133-D140 IonicContact NH1-OD1 3.06Å; R133-D140 PolarHBondContact NH1-OD1 3.29Å; R133-D140 IonicContact NH1-OD2 3.36Å; R133-D140 PolarHBondContact NH1-OD2 2.94Å; S135-D140 PolarHBondContact OG-OD2 3.22Å; R137-D140 HydrophobicContact CB-CB 4.03Å; R137-D140 WeakPolarHBondContact CD-OD2 3.5Å; R137-D140 PolarHBondContact O-N 3.49Å; R137-D140 VanDerWaalsContact O-N 3.12Å; D140-R148 IonicContact OD1-NH1 2.88Å; D140-R148 PolarHBondContact OD1-NH1 3.23Å
141N88.1Confident87.8Confident66 Ų6673.8 Ų73.835%0.35337%0.367SS..SBendtrans-87.4157.4168.673.276000111.7V138 E143 T144 L145V138-N141 PolarHBondContact O-ND2 3.23Å; V138-N141 VanDerWaalsContact O-ND2 3.08Å; N141-E143 PolarHBondContact O-N 3.39Å; N141-E143 PolarHBondContact OD1-N 3.04Å; N141-T144 WeakPolarHBondContact ND2-CB 3.37Å; N141-T144 PolarHBondContact ND2-OG1 3.41Å; N141-T144 PolarHBondContact O-N 2.9Å; N141-T144 PolarHBondContact OD1-N 3.45Å; N141-T144 PolarHBondContact OD1-OG1 2.84Å; N141-L145 WeakPolarHBondContact O-CB 3.42Å; N141-L145 WeakPolarHBondContact O-CG 2.81Å; N141-L145 PolarHBondContact O-N 2.96Å
142E88.4Confident88.1Confident109 Ų10970.9 Ų70.951%0.50935%0.35SS..Hα-helixtrans-58.9-41.6-172.1-169.2-176.2154.200113.8L145 K146E142-L145 PolarHBondContact O-N 3.25Å; E142-K146 WeakPolarHBondContact O-CG 3.31Å; E142-K146 PolarHBondContact O-N 3.41Å; E142-K146 WeakPolarHBondContact OE1-CE 3.33Å; E142-K146 IonicContact OE1-NZ 3.06Å; E142-K146 PolarHBondContact OE1-NZ 2.94Å
143E90.9Very high88.3Confident139 Ų13973.4 Ų73.465%0.6535%0.345SS*.Hα-helixtrans-64.4-52.1-179.4-174.4-179.6176.500111N141 L145 K146 H147N141-E143 PolarHBondContact O-N 3.39Å; N141-E143 PolarHBondContact OD1-N 3.04Å; E143-L145 VanDerWaalsContact C-N 3.27Å; E143-L145 PolarHBondContact O-N 2.81Å; E143-K146 WeakPolarHBondContact O-CB 3.38Å; E143-K146 PolarHBondContact O-N 3.24Å; E143-H147 PolarHBondContact O-CD2 3.36Å; E143-H147 VanDerWaalsContact O-CD2 3.24Å; E143-H147 PolarHBondContact O-N 3.2Å; E143-H147 VanDerWaalsContact O-N 3.17Å
144T91.9Very high89Confident9 Ų975 Ų756%0.05536%0.356CS..Hα-helixtrans-61.8-36.3177-55.20000111.5K58 D139 N141 H147 R148K58-T144 PolarHBondContact O-OG1 3.27Å; D139-T144 HydrophobicContact CB-CG2 3.85Å; N141-T144 WeakPolarHBondContact ND2-CB 3.37Å; N141-T144 PolarHBondContact ND2-OG1 3.41Å; N141-T144 PolarHBondContact O-N 2.9Å; N141-T144 PolarHBondContact OD1-N 3.45Å; N141-T144 PolarHBondContact OD1-OG1 2.84Å; T144-H147 PolarHBondContact O-N 2.97Å; T144-R148 HydrophobicContact CG2-CG 4.39Å; T144-R148 VanDerWaalsContact O-CG 3.23Å; T144-R148 WeakPolarHBondContact O-CG 3.44Å; T144-R148 PolarHBondContact O-N 3.34Å
145L92.2Very high90Very high1 Ų168.7 Ų68.71%0.00533%0.33CS..Hα-helixtrans-64.3-41175.9-74.6173000112.7P12 C130 L131 N141 E142 E143 H147 R148 I149P12-L145 HydrophobicContact CB-CD2 4.22Å; C130-L145 HydrophobicContact CB-CD1 3.44Å; C130-L145 VanDerWaalsContact CB-CD1 3.44Å; C130-L145 HydrophobicContact CB-CD2 3.64Å; C130-L145 HydrophobicContact CB-CG 4.19Å; C130-L145 WeakPolarHBondContact SG-CD2 3.41Å; L131-L145 HydrophobicContact CD2-CD1 3.88Å; L131-L145 HydrophobicContact CG-CD1 4.2Å; N141-L145 WeakPolarHBondContact O-CB 3.42Å; N141-L145 WeakPolarHBondContact O-CG 2.81Å; N141-L145 PolarHBondContact O-N 2.96Å; E142-L145 PolarHBondContact O-N 3.25Å; E143-L145 VanDerWaalsContact C-N 3.27Å; E143-L145 PolarHBondContact O-N 2.81Å; L145-H147 VanDerWaalsContact C-N 3.33Å; L145-H147 PolarHBondContact O-N 3.46Å; L145-R148 PolarHBondContact O-N 3.46Å; L145-I149 WeakPolarHBondContact O-CG1 3.04Å; L145-I149 PolarHBondContact O-N 3.42Å
146K92.5Very high91Very high117 Ų11766.6 Ų66.651%0.50932%0.316SS..Hα-helixtrans-59.7-44.8174.3-74.3171.7-177.6166.60111.1E142 E143 I149 K150E142-K146 WeakPolarHBondContact O-CG 3.31Å; E142-K146 PolarHBondContact O-N 3.41Å; E142-K146 WeakPolarHBondContact OE1-CE 3.33Å; E142-K146 IonicContact OE1-NZ 3.06Å; E142-K146 PolarHBondContact OE1-NZ 2.94Å; E143-K146 WeakPolarHBondContact O-CB 3.38Å; E143-K146 PolarHBondContact O-N 3.24Å; K146-I149 PolarHBondContact O-N 3.11Å; K146-K150 WeakPolarHBondContact O-CB 3.37Å; K146-K150 PolarHBondContact O-N 3.06Å
147H93.2Very high92Very high96 Ų9660.8 Ų60.844%0.44428%0.283SS..Hα-helixtrans-60.8-45.1175-76.1-68.2000112.4E143 T144 L145 I149 K150 Q151E143-H147 PolarHBondContact O-CD2 3.36Å; E143-H147 VanDerWaalsContact O-CD2 3.24Å; E143-H147 PolarHBondContact O-N 3.2Å; E143-H147 VanDerWaalsContact O-N 3.17Å; T144-H147 PolarHBondContact O-N 2.97Å; L145-H147 VanDerWaalsContact C-N 3.33Å; L145-H147 PolarHBondContact O-N 3.46Å; H147-I149 VanDerWaalsContact C-N 3.35Å; H147-I149 PolarHBondContact O-N 3.01Å; H147-K150 PolarHBondContact O-N 3.33Å; H147-Q151 WeakPolarHBondContact O-CB 3.44Å; H147-Q151 PolarHBondContact O-N 2.94Å
148R94.6Very high92.6Very high21 Ų2159.9 Ų59.98%0.07929%0.289CS..Hα-helixtrans-64.1-36.8178.8-70.1165.767.6-171.412112.8P12 D139 D140 T144 L145 F152P12-R148 HydrophobicContact CB-CB 4.34Å; P12-R148 HydrophobicContact CG-CB 3.95Å; D139-R148 PolarHBondContact O-NH1 3.46Å; D139-R148 IonicContact OD2-CZ 2.6Å; D139-R148 IonicContact OD2-NE 3.46Å; D139-R148 IonicContact OD2-NH1 2.98Å; D139-R148 PolarHBondContact OD2-NH1 2.95Å; D139-R148 VanDerWaalsContact OD2-NH1 3.1Å; D139-R148 IonicContact OD2-NH2 2.84Å; D139-R148 PolarHBondContact OD2-NH2 3.03Å; D140-R148 IonicContact OD1-NH1 2.88Å; D140-R148 PolarHBondContact OD1-NH1 3.23Å; T144-R148 HydrophobicContact CG2-CG 4.39Å; T144-R148 VanDerWaalsContact O-CG 3.23Å; T144-R148 WeakPolarHBondContact O-CG 3.44Å; T144-R148 PolarHBondContact O-N 3.34Å; L145-R148 PolarHBondContact O-N 3.46Å; R148-F152 WeakPolarHBondContact O-CB 3.48Å; R148-F152 PolarHBondContact O-N 3.38Å
149I95.1Very high93.4Very high14 Ų1456.5 Ų56.57%0.07227%0.268CS..Hα-helixtrans-69.4-45.3175.7-70.5166.8000110.5P12 D123 I127 L145 K146 H147 F152 K153P12-I149 HydrophobicContact CG-CD1 4.44Å; P12-I149 HydrophobicContact CG-CG1 3.59Å; D123-I149 HydrophobicContact CB-CD1 4.38Å; D123-I149 HydrophobicContact CB-CG2 4.37Å; I127-I149 HydrophobicContact CD1-CD1 3.63Å; I127-I149 HydrophobicContact CG1-CD1 3.4Å; I127-I149 VanDerWaalsContact CG1-CD1 3.4Å; L145-I149 WeakPolarHBondContact O-CG1 3.04Å; L145-I149 PolarHBondContact O-N 3.42Å; K146-I149 PolarHBondContact O-N 3.11Å; H147-I149 VanDerWaalsContact C-N 3.35Å; H147-I149 PolarHBondContact O-N 3.01Å; I149-F152 PolarHBondContact O-N 2.71Å; I149-K153 HydrophobicContact CG2-CD 4.4Å; I149-K153 WeakPolarHBondContact O-CG 3.23Å; I149-K153 PolarHBondContact O-N 2.86Å
150K95.6Very high94.1Very high114 Ų11455.9 Ų55.950%0.49627%0.265SS..Hα-helixtrans-56.8-51.6175.7-177.9180177.1-173.90110.9K146 H147 F152 K153 E154K146-K150 WeakPolarHBondContact O-CB 3.37Å; K146-K150 PolarHBondContact O-N 3.06Å; H147-K150 PolarHBondContact O-N 3.33Å; K150-F152 VanDerWaalsContact C-N 3.34Å; K150-F152 PolarHBondContact O-N 3.13Å; K150-K153 PolarHBondContact O-N 3.49Å; K150-K153 VanDerWaalsContact O-N 3.12Å; K150-E154 WeakPolarHBondContact CE-OE1 3.34Å; K150-E154 WeakPolarHBondContact CE-OE2 3.42Å; K150-E154 HydrophobicContact CG-CG 4.33Å; K150-E154 WeakPolarHBondContact CG-OE1 3.43Å; K150-E154 WeakPolarHBondContact O-CB 3.43Å; K150-E154 WeakPolarHBondContact O-CG 3.38Å; K150-E154 PolarHBondContact O-N 2.82Å
151Q95.1Very high94.7Very high20 Ų2061.3 Ų61.39%0.09329%0.288CS..Hα-helixtrans-58.3-42.6176.6178.6-177.785.300112.5G60 I62 H147 K153 E154 E155 C156G60-Q151 PolarHBondContact O-NE2 3.14Å; I62-Q151 HydrophobicContact CD1-CG 4.28Å; I62-Q151 HydrophobicContact CG1-CG 4.48Å; I62-Q151 VanDerWaalsContact CG1-NE2 3.35Å; H147-Q151 WeakPolarHBondContact O-CB 3.44Å; H147-Q151 PolarHBondContact O-N 2.94Å; Q151-K153 VanDerWaalsContact C-N 3.31Å; Q151-K153 PolarHBondContact O-N 2.93Å; Q151-E154 PolarHBondContact O-N 3.09Å; Q151-E155 HydrophobicContact CG-CB 4.44Å; Q151-E155 WeakPolarHBondContact O-CA 3.26Å; Q151-E155 WeakPolarHBondContact O-CB 3.38Å; Q151-E155 PolarHBondContact O-N 3.37Å; Q151-C156 PolarHBondContact O-N 3.27Å
152F96Very high95.2Very high31 Ų3161.9 Ų61.914%0.13629%0.287CS..Iπ-helixtrans-58.4-44.9175.8173.7-105.2000111.6G10 R148 I149 K150 C156 M157 I160G10-F152 VanDerWaalsContact C-CE2 3.41Å; R148-F152 WeakPolarHBondContact O-CB 3.48Å; R148-F152 PolarHBondContact O-N 3.38Å; I149-F152 PolarHBondContact O-N 2.71Å; K150-F152 VanDerWaalsContact C-N 3.34Å; K150-F152 PolarHBondContact O-N 3.13Å; F152-C156 HydrophobicContact CD2-CB 3.6Å; F152-C156 HydrophobicContact CE2-CB 4.06Å; F152-C156 HydrophobicContact CG-CB 4.39Å; F152-C156 WeakPolarHBondContact O-CA 3.39Å; F152-C156 VanDerWaalsContact O-CB 3.26Å; F152-C156 WeakPolarHBondContact O-CB 3.12Å; F152-C156 PolarHBondContact O-N 3.18Å; F152-M157 HydrophobicContact CE1-SD 4.25Å; F152-M157 HydrophobicContact CZ-SD 4.11Å; F152-M157 PolarHBondContact O-N 2.89Å; F152-I160 HydrophobicContact CE2-CD1 4.05Å; F152-I160 HydrophobicContact CZ-CD1 4.14Å
153K96.3Very high95.7Very high109 Ų10957.3 Ų57.347%0.47427%0.265SS..Iπ-helixtrans-69-40.4179.2-69.5179.7179.4-177.50113.4D123 I149 K150 Q151 M157D123-K153 WeakPolarHBondContact OD2-CE 3.35Å; D123-K153 IonicContact OD2-NZ 2.68Å; D123-K153 PolarHBondContact OD2-NZ 3Å; I149-K153 HydrophobicContact CG2-CD 4.4Å; I149-K153 WeakPolarHBondContact O-CG 3.23Å; I149-K153 PolarHBondContact O-N 2.86Å; K150-K153 PolarHBondContact O-N 3.49Å; K150-K153 VanDerWaalsContact O-N 3.12Å; Q151-K153 VanDerWaalsContact C-N 3.31Å; Q151-K153 PolarHBondContact O-N 2.93Å; K153-M157 WeakPolarHBondContact O-CB 3.22Å
154E97.2Very high96Very high116 Ų11654.5 Ų54.554%0.54225%0.252SS..Iπ-helixtrans-84.6-37.9-173.1-69.8177.3177.500112.4K150 Q151 P158K150-E154 WeakPolarHBondContact CE-OE1 3.34Å; K150-E154 WeakPolarHBondContact CE-OE2 3.42Å; K150-E154 HydrophobicContact CG-CG 4.33Å; K150-E154 WeakPolarHBondContact CG-OE1 3.43Å; K150-E154 WeakPolarHBondContact O-CB 3.43Å; K150-E154 WeakPolarHBondContact O-CG 3.38Å; K150-E154 PolarHBondContact O-N 2.82Å; Q151-E154 PolarHBondContact O-N 3.09Å; E154-P158 WeakPolarHBondContact O-CD 3.37Å; E154-P158 VanDerWaalsContact O-CG 3.27Å; E154-P158 WeakPolarHBondContact O-CG 3.48Å
155E97.1Very high96.3Very high72 Ų7258 Ų5834%0.33628%0.282SS..Iπ-helixtrans-112.4-36.8-170.6-62.2-178.9-130.700113.6R95 N96 Q151R95-E155 CarbonylContact O-C 3.57Å; N96-E155 HydrophobicContact CB-CB 3.82Å; N96-E155 HydrophobicContact CB-CG 4.41Å; N96-E155 WeakPolarHBondContact CB-OE2 3.44Å; N96-E155 PolarHBondContact ND2-OE2 3.37Å; Q151-E155 HydrophobicContact CG-CB 4.44Å; Q151-E155 WeakPolarHBondContact O-CA 3.26Å; Q151-E155 WeakPolarHBondContact O-CB 3.38Å; Q151-E155 PolarHBondContact O-N 3.37Å
156C96.9Very high96.6Very high4 Ų462.2 Ų62.23%0.02730%0.302CS..Iπ-helixtrans-83.2-37.3-178.3-169.60000112.3R95 Q151 F152 I159 I160R95-C156 WeakPolarHBondContact O-CA 3.11Å; R95-C156 WeakPolarHBondContact O-CB 3.27Å; R95-C156 PolarHBondContact O-N 2.78Å; Q151-C156 PolarHBondContact O-N 3.27Å; F152-C156 HydrophobicContact CD2-CB 3.6Å; F152-C156 HydrophobicContact CE2-CB 4.06Å; F152-C156 HydrophobicContact CG-CB 4.39Å; F152-C156 WeakPolarHBondContact O-CA 3.39Å; F152-C156 VanDerWaalsContact O-CB 3.26Å; F152-C156 WeakPolarHBondContact O-CB 3.12Å; F152-C156 PolarHBondContact O-N 3.18Å; C156-I159 WeakPolarHBondContact O-CB 3.45Å; C156-I159 PolarHBondContact O-N 2.9Å; C156-I159 VanDerWaalsContact O-N 3.11Å; C156-I160 PolarHBondContact O-N 2.82Å
157M96.5Very high96.8Very high49 Ų4964 Ų6424%0.24132%0.317CS..Hα-helixtrans-59.4-40177.6-74.1-63-6300114.1F152 K153 I159 I160 K161F152-M157 HydrophobicContact CE1-SD 4.25Å; F152-M157 HydrophobicContact CZ-SD 4.11Å; F152-M157 PolarHBondContact O-N 2.89Å; K153-M157 WeakPolarHBondContact O-CB 3.22Å; M157-I159 VanDerWaalsContact C-N 3.31Å; M157-I159 PolarHBondContact O-N 3.37Å; M157-I160 PolarHBondContact O-N 2.97Å; M157-I160 HydrophobicContact SD-CD1 3.9Å; M157-K161 WeakPolarHBondContact O-CG 3.39Å; M157-K161 PolarHBondContact O-N 3.22Å
158P97.6Very high97Very high68 Ų6861.4 Ų61.444%0.44231%0.306SS..Hα-helixtrans-56.9-39.7171.3-28.436.1000114E154 K161 F162E154-P158 WeakPolarHBondContact O-CD 3.37Å; E154-P158 VanDerWaalsContact O-CG 3.27Å; E154-P158 WeakPolarHBondContact O-CG 3.48Å; P158-K161 PolarHBondContact O-N 3.06Å; P158-F162 PolarHBondContact O-N 3.38Å
159I97.7Very high97.2Very high0 Ų061.6 Ų61.60%031%0.31CS..Hα-helixtrans-65.4-42.6175.7-57.1162.7000111.1P94 N96 R100 C156 M157 K161 F162 Y163P94-I159 HydrophobicContact CB-CD1 4.26Å; P94-I159 HydrophobicContact CG-CD1 4.37Å; P94-I159 HydrophobicContact CG-CG2 3.96Å; N96-I159 VanDerWaalsContact N-CD1 3.26Å; N96-I159 VanDerWaalsContact O-CD1 3.23Å; N96-I159 WeakPolarHBondContact O-CD1 3.41Å; R100-I159 HydrophobicContact CG-CG2 4.44Å; C156-I159 WeakPolarHBondContact O-CB 3.45Å; C156-I159 PolarHBondContact O-N 2.9Å; C156-I159 VanDerWaalsContact O-N 3.11Å; M157-I159 VanDerWaalsContact C-N 3.31Å; M157-I159 PolarHBondContact O-N 3.37Å; I159-K161 VanDerWaalsContact C-N 3.31Å; I159-K161 PolarHBondContact O-N 2.88Å; I159-F162 WeakPolarHBondContact O-CB 3.22Å; I159-F162 PolarHBondContact O-N 2.92Å; I159-Y163 HydrophobicContact CG2-CD2 3.64Å; I159-Y163 HydrophobicContact CG2-CE2 3.44Å; I159-Y163 VanDerWaalsContact CG2-CE2 3.44Å; I159-Y163 VanDerWaalsContact O-CD2 3.29Å; I159-Y163 WeakPolarHBondContact O-CD2 3.28Å; I159-Y163 PolarHBondContact O-N 3.02Å
160I98.3Very high97.3Very high0 Ų062.9 Ų62.90%032%0.318CS..Hα-helixtrans-58.9-47176.5-69.1166.5000109.5L9 V118 F152 C156 M157 F162 Y163 E164 V169L9-I160 HydrophobicContact CB-CD1 4.41Å; L9-I160 HydrophobicContact CD1-CG1 3.92Å; V118-I160 HydrophobicContact CG1-CD1 3.96Å; V118-I160 HydrophobicContact CG2-CD1 4.11Å; V118-I160 HydrophobicContact CG2-CG1 4.02Å; V118-I160 HydrophobicContact CG2-CG2 3.87Å; F152-I160 HydrophobicContact CE2-CD1 4.05Å; F152-I160 HydrophobicContact CZ-CD1 4.14Å; C156-I160 PolarHBondContact O-N 2.82Å; M157-I160 PolarHBondContact O-N 2.97Å; M157-I160 HydrophobicContact SD-CD1 3.9Å; I160-F162 VanDerWaalsContact C-N 3.32Å; I160-F162 PolarHBondContact O-N 3.33Å; I160-Y163 PolarHBondContact O-N 3.21Å; I160-E164 VanDerWaalsContact O-CB 3.3Å; I160-E164 WeakPolarHBondContact O-CB 3.26Å; I160-E164 PolarHBondContact O-N 3.1Å; I160-V169 HydrophobicContact CG2-CG2 4.4Å
161K98.2Very high97.5Very high132 Ų13261.7 Ų61.757%0.57431%0.311SS*.Hα-helixtrans-60.1-40.2175.9-70176.4-178.3-179.30112.5M157 P158 I159 Y163 E164 A165M157-K161 WeakPolarHBondContact O-CG 3.39Å; M157-K161 PolarHBondContact O-N 3.22Å; P158-K161 PolarHBondContact O-N 3.06Å; I159-K161 VanDerWaalsContact C-N 3.31Å; I159-K161 PolarHBondContact O-N 2.88Å; K161-Y163 PolarHBondContact O-N 2.87Å; K161-E164 PolarHBondContact O-N 3.35Å; K161-A165 PolarHBondContact O-N 3.11Å
162F98.4Very high97.6Very high78 Ų7860.8 Ų60.834%0.34231%0.306SS..Hα-helixtrans-58.3-45.7175.7170.3-91.9000112.1P158 I159 I160P158-F162 PolarHBondContact O-N 3.38Å; I159-F162 WeakPolarHBondContact O-CB 3.22Å; I159-F162 PolarHBondContact O-N 2.92Å; I160-F162 VanDerWaalsContact C-N 3.32Å; I160-F162 PolarHBondContact O-N 3.33Å
163Y98.4Very high97.7Very high14 Ų1462.3 Ų62.36%0.05532%0.316CS..Hα-helixtrans-76.4-28.4177-70.7-59.3000113.6F7 P94 R100 L113 V116 I159 I160 K161 Q166 N167 L168F7-Y163 HydrophobicContact CD2-CE2 4.17Å; F7-Y163 HydrophobicContact CE2-CE2 4.15Å; F7-Y163 AromaticContact CE2-CZ 3.93Å; P94-Y163 HydrophobicContact CG-CE2 4.5Å; R100-Y163 HydrophobicContact CG-CE2 4.23Å; R100-Y163 VanDerWaalsContact CG-OH 3.31Å; R100-Y163 WeakPolarHBondContact CG-OH 3.33Å; L113-Y163 HydrophobicContact CD2-CD1 3.92Å; L113-Y163 HydrophobicContact CD2-CE1 3.5Å; L113-Y163 VanDerWaalsContact CD2-CE1 3.5Å; V116-Y163 HydrophobicContact CG2-CD1 4.25Å; V116-Y163 HydrophobicContact CG2-CD2 3.85Å; V116-Y163 HydrophobicContact CG2-CE2 4.43Å; V116-Y163 HydrophobicContact CG2-CG 3.74Å; I159-Y163 HydrophobicContact CG2-CD2 3.64Å; I159-Y163 HydrophobicContact CG2-CE2 3.44Å; I159-Y163 VanDerWaalsContact CG2-CE2 3.44Å; I159-Y163 VanDerWaalsContact O-CD2 3.29Å; I159-Y163 WeakPolarHBondContact O-CD2 3.28Å; I159-Y163 PolarHBondContact O-N 3.02Å; I160-Y163 PolarHBondContact O-N 3.21Å; K161-Y163 PolarHBondContact O-N 2.87Å; Y163-Q166 PolarHBondContact O-N 3.13Å; Y163-Q166 VanDerWaalsContact O-N 3.12Å; Y163-N167 PolarHBondContact O-N 3.11Å; Y163-L168 HydrophobicContact CD1-CD1 3.99Å; Y163-L168 PolarHBondContact O-N 3.45Å; Y163-L168 VanDerWaalsContact O-N 3.12Å
164E98Very high97.8Very high79 Ų7957.3 Ų57.337%0.36930%0.295SS..Hα-helixtrans-64.3-42175.4-168.1166.4-11800110.7I160 K161 Q166 N167 V169 R171I160-E164 VanDerWaalsContact O-CB 3.3Å; I160-E164 WeakPolarHBondContact O-CB 3.26Å; I160-E164 PolarHBondContact O-N 3.1Å; K161-E164 PolarHBondContact O-N 3.35Å; E164-Q166 PolarHBondContact O-N 3.34Å; E164-Q166 VanDerWaalsContact O-N 3.1Å; E164-N167 PolarHBondContact O-N 2.92Å; E164-V169 HydrophobicContact CB-CB 4.14Å; E164-V169 HydrophobicContact CB-CG2 3.94Å; E164-V169 HydrophobicContact CG-CB 4.39Å; E164-R171 IonicContact OE1-CZ 3.29Å; E164-R171 IonicContact OE1-NE 3.2Å; E164-R171 PolarHBondContact OE1-NE 3.24Å; E164-R171 IonicContact OE1-NH2 2.92Å; E164-R171 PolarHBondContact OE1-NH2 3.04Å; E164-R171 IonicContact OE2-NH2 2.77Å
165A98.2Very high97.8Very high84 Ų8455.5 Ų55.569%0.69429%0.289SS*.THydrogen-bonded Turntrans-61.1-18173.200000113.8K161K161-A165 PolarHBondContact O-N 3.11Å
166Q97.5Very high97.8Very high89 Ų8956.9 Ų56.942%0.41629%0.294SS..THydrogen-bonded Turntrans-98.66.6176.7-61.817629.700113Y163 E164 L168Y163-Q166 PolarHBondContact O-N 3.13Å; Y163-Q166 VanDerWaalsContact O-N 3.12Å; E164-Q166 PolarHBondContact O-N 3.34Å; E164-Q166 VanDerWaalsContact O-N 3.1Å; Q166-L168 HydrophobicContact CB-CD1 4.03Å; Q166-L168 HydrophobicContact CB-CG 4.17Å; Q166-L168 PolarHBondContact O-N 3.12Å
167N97.2Very high97.7Very high153 Ų15359.4 Ų59.482%0.81831%0.311SS*.THydrogen-bonded Turntrans59.128.7-175.7-52.4-68.9000113.8Y163 E164Y163-N167 PolarHBondContact O-N 3.11Å; E164-N167 PolarHBondContact O-N 2.92Å
168L97.5Very high97.7Very high42 Ų4261.8 Ų61.822%0.2232%0.324CS..  trans-96.9-11.4179.6-70.6171.5000113.4L113 N115 V116 Y163 Q166L113-L168 HydrophobicContact CD2-CD1 4.1Å; N115-L168 CarbonylContact C-O 3.47Å; N115-L168 WeakPolarHBondContact CA-O 3.34Å; N115-L168 PolarHBondContact OD1-O 3.43Å; V116-L168 HydrophobicContact CG2-CB 4.48Å; V116-L168 PolarHBondContact N-O 2.94Å; Y163-L168 HydrophobicContact CD1-CD1 3.99Å; Y163-L168 PolarHBondContact O-N 3.45Å; Y163-L168 VanDerWaalsContact O-N 3.12Å; Q166-L168 HydrophobicContact CB-CD1 4.03Å; Q166-L168 HydrophobicContact CB-CG 4.17Å; Q166-L168 PolarHBondContact O-N 3.12Å
169V98.3Very high97.7Very high26 Ų2663 Ų6316%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-88.8133-174.3170.60000111.3V116 V118 I160 E164 R171V116-V169 HydrophobicContact CB-CG2 3.94Å; V116-V169 HydrophobicContact CG1-CG2 4.15Å; V116-V169 VanDerWaalsContact O-CA 3.31Å; V116-V169 WeakPolarHBondContact O-CA 3.32Å; V118-V169 HydrophobicContact CB-CG1 4.42Å; V118-V169 HydrophobicContact CG2-CG1 3.81Å; I160-V169 HydrophobicContact CG2-CG2 4.4Å; E164-V169 HydrophobicContact CB-CB 4.14Å; E164-V169 HydrophobicContact CB-CG2 3.94Å; E164-V169 HydrophobicContact CG-CB 4.39Å; V169-R171 HydrophobicContact CG1-CG 4.06Å
170T98.2Very high97.7Very high40 Ų4067.2 Ų67.225%0.24535%0.352CS..EExtended strand (participates in β ladder)trans-120.5126.1163.1-57.30000109.7N115 V116 I117 V118 M188N115-T170 PolarHBondContact ND2-OG1 3.26Å; N115-T170 VanDerWaalsContact ND2-OG1 3.13Å; N115-T170 PolarHBondContact OD1-OG1 3.35Å; V116-T170 PolarHBondContact O-N 2.97Å; I117-T170 WeakPolarHBondContact CA-O 3.5Å; V118-T170 PolarHBondContact N-O 3.29Å; T170-M188 HydrophobicContact CG2-CB 3.9Å; T170-M188 HydrophobicContact CG2-CG 3.53Å
171R98.2Very high97.7Very high90 Ų9067.8 Ų67.834%0.3436%0.355SS..EExtended strand (participates in β ladder)trans-94.7135.1-179.6-69.4176.1178.3-81.4-1.9110.7V118 D120 E164 V169V118-R171 HydrophobicContact CB-CG 4.34Å; V118-R171 CarbonylContact O-C 3.57Å; V118-R171 WeakPolarHBondContact O-CA 3.39Å; D120-R171 IonicContact OD1-NH1 3.64Å; D120-R171 PolarHBondContact OD1-NH1 3.24Å; D120-R171 WeakPolarHBondContact OD2-CB 3.4Å; D120-R171 WeakPolarHBondContact OD2-CD 3.27Å; D120-R171 IonicContact OD2-NH1 2.94Å; D120-R171 PolarHBondContact OD2-NH1 2.6Å; E164-R171 IonicContact OE1-CZ 3.29Å; E164-R171 IonicContact OE1-NE 3.2Å; E164-R171 PolarHBondContact OE1-NE 3.24Å; E164-R171 IonicContact OE1-NH2 2.92Å; E164-R171 PolarHBondContact OE1-NH2 3.04Å; E164-R171 IonicContact OE2-NH2 2.77Å; V169-R171 HydrophobicContact CG1-CG 4.06Å
172I98.3Very high97.6Very high1 Ų164.4 Ų64.41%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-118.2122.3175.9-61.8-178.6000107.5V19 I117 V118 L119 D120 A174 V181 Q184 V185 M188V19-I172 HydrophobicContact CG1-CD1 4.45Å; I117-I172 HydrophobicContact CG2-CD1 3.48Å; I117-I172 VanDerWaalsContact CG2-CD1 3.48Å; I117-I172 HydrophobicContact CG2-CG1 4.16Å; V118-I172 PolarHBondContact O-N 3.26Å; L119-I172 WeakPolarHBondContact CA-O 2.93Å; D120-I172 PolarHBondContact N-O 3.41Å; I172-A174 PolarHBondContact O-N 3.18Å; I172-V181 HydrophobicContact CG2-CG1 3.92Å; I172-Q184 HydrophobicContact CG2-CB 4.24Å; I172-V185 HydrophobicContact CD1-CG2 3.64Å; I172-M188 HydrophobicContact CD1-CE 4.12Å
173N98.2Very high97.6Very high63 Ų6364.4 Ų64.434%0.33734%0.34SS..EExtended strand (participates in β ladder)trans-73.297.4172.8-176.5-12.1000109.4N175 K176 Q184N173-N175 VanDerWaalsContact C-N 3.28Å; N173-N175 PolarHBondContact O-N 2.89Å; N173-N175 WeakPolarHBondContact OD1-CB 3.46Å; N173-N175 PolarHBondContact OD1-N 3.4Å; N173-N175 VanDerWaalsContact OD1-N 3.08Å; N173-K176 HydrophobicContact CB-CG 4.28Å; N173-Q184 PolarHBondContact O-NE2 3.01Å
174A97.7Very high97.6Very high4 Ų466.2 Ų66.23%0.03335%0.349CS..THydrogen-bonded Turntrans-87.97.1-178.100000113.6A14 L119 D120 C121 R129 I172 K176A14-A174 VanDerWaalsContact O-CB 3.26Å; A14-A174 WeakPolarHBondContact O-CB 3.38Å; L119-A174 HydrophobicContact CB-CB 3.88Å; L119-A174 HydrophobicContact CD2-CB 4.11Å; L119-A174 HydrophobicContact CG-CB 4.05Å; D120-A174 PolarHBondContact O-N 3.12Å; C121-A174 HydrophobicContact CB-CB 4.23Å; R129-A174 PolarHBondContact NH1-O 3.38Å; R129-A174 VanDerWaalsContact NH1-O 3.08Å; R129-A174 PolarHBondContact NH2-O 2.99Å; I172-A174 PolarHBondContact O-N 3.18Å; A174-K176 VanDerWaalsContact C-N 3.31Å
175N97.2Very high97.5Very high78 Ų7862.5 Ų62.542%0.41733%0.332SS..THydrogen-bonded Turntrans-87.1-0.3168.8-162.234.6000113.1P122 N173P122-N175 HydrophobicContact CG-CB 4.42Å; N173-N175 VanDerWaalsContact C-N 3.28Å; N173-N175 PolarHBondContact O-N 2.89Å; N173-N175 WeakPolarHBondContact OD1-CB 3.46Å; N173-N175 PolarHBondContact OD1-N 3.4Å; N173-N175 VanDerWaalsContact OD1-N 3.08Å
176K96.6Very high97.3Very high100 Ų10063 Ų6344%0.43532%0.316SS..SBendtrans-86.8173.5177-65.3-63.9-169.2167.80112.1N173 A174 E180 V181N173-K176 HydrophobicContact CB-CG 4.28Å; A174-K176 VanDerWaalsContact C-N 3.31Å; K176-E180 HydrophobicContact CB-CB 3.8Å; K176-V181 HydrophobicContact CB-CG2 4.13Å
177S96.3Very high97.2Very high57 Ų5763.9 Ų63.940%0.39932%0.32SS..  trans-63.1155.8172.369.20000111.1E180 V181S177-E180 VanDerWaalsContact CB-OE2 3.31Å; S177-E180 WeakPolarHBondContact CB-OE2 3.46Å; S177-E180 PolarHBondContact N-OE2 3.48Å; S177-E180 PolarHBondContact O-N 2.83Å; S177-E180 VanDerWaalsContact O-N 3.1Å; S177-E180 WeakPolarHBondContact OG-CG 3.45Å; S177-E180 PolarHBondContact OG-OE2 2.96Å; S177-V181 WeakPolarHBondContact O-CG2 3.49Å; S177-V181 PolarHBondContact O-N 3.4Å
178I95Very high97.1Very high100 Ų10057 Ų5751%0.51328%0.283SS..Hα-helixtrans-53-47.4179.9-68.1173.4000111.9E180 V181 Y182I178-E180 PolarHBondContact O-N 3.25Å; I178-V181 PolarHBondContact O-N 3.3Å; I178-Y182 HydrophobicContact CG2-CD1 3.99Å; I178-Y182 HydrophobicContact CG2-CD2 3.92Å; I178-Y182 HydrophobicContact CG2-CE1 3.54Å; I178-Y182 HydrophobicContact CG2-CE2 3.43Å; I178-Y182 VanDerWaalsContact CG2-CE2 3.43Å; I178-Y182 HydrophobicContact CG2-CG 4.19Å; I178-Y182 WeakPolarHBondContact O-CB 3.42Å; I178-Y182 WeakPolarHBondContact O-CD1 3.23Å; I178-Y182 PolarHBondContact O-N 3.38Å
179P97.5Very high96.9Very high94 Ų9455.4 Ų55.461%0.6128%0.275SS*.Hα-helixtrans-59.9-38.8176.8-25.536.1000114.4Y182 E183P179-Y182 WeakPolarHBondContact O-CB 3.36Å; P179-Y182 PolarHBondContact O-N 2.93Å; P179-E183 PolarHBondContact O-N 3.48Å
180E98.1Very high96.6Very high88 Ų8861.3 Ų61.341%0.41130%0.298SS..Hα-helixtrans-70.1-38.3177.5-71170.4107.800112.3K176 S177 I178 Y182 Q184K176-E180 HydrophobicContact CB-CB 3.8Å; S177-E180 VanDerWaalsContact CB-OE2 3.31Å; S177-E180 WeakPolarHBondContact CB-OE2 3.46Å; S177-E180 PolarHBondContact N-OE2 3.48Å; S177-E180 PolarHBondContact O-N 2.83Å; S177-E180 VanDerWaalsContact O-N 3.1Å; S177-E180 WeakPolarHBondContact OG-CG 3.45Å; S177-E180 PolarHBondContact OG-OE2 2.96Å; I178-E180 PolarHBondContact O-N 3.25Å; E180-Y182 VanDerWaalsContact C-N 3.27Å; E180-Q184 WeakPolarHBondContact O-CG 3.44Å; E180-Q184 PolarHBondContact O-N 2.95Å; E180-Q184 PolarHBondContact O-NE2 3.18Å; E180-Q184 VanDerWaalsContact O-NE2 3.16Å
181V98Very high96.3Very high12 Ų1264.1 Ų64.17%0.07332%0.316CS..Hα-helixtrans-61.3-42.6172173.80000109.6V19 I172 K176 S177 I178 E183 Q184 V185V19-V181 HydrophobicContact CG2-CG1 3.75Å; I172-V181 HydrophobicContact CG2-CG1 3.92Å; K176-V181 HydrophobicContact CB-CG2 4.13Å; S177-V181 WeakPolarHBondContact O-CG2 3.49Å; S177-V181 PolarHBondContact O-N 3.4Å; I178-V181 PolarHBondContact O-N 3.3Å; V181-E183 PolarHBondContact O-N 3.26Å; V181-Q184 WeakPolarHBondContact O-CB 3.04Å; V181-Q184 PolarHBondContact O-N 3.47Å; V181-V185 WeakPolarHBondContact O-CG2 3.34Å; V181-V185 PolarHBondContact O-N 3.39Å
182Y96.9Very high95.7Very high61 Ų6160.7 Ų60.724%0.23930%0.304CS..Hα-helixtrans-66.2-37.4-178.2-74.37.7000113T18 Q22 I178 P179 E180 V185 R186T18-Y182 HydrophobicContact CG2-CE1 4.07Å; T18-Y182 WeakPolarHBondContact CG2-OH 3.39Å; Q22-Y182 HydrophobicContact CB-CD1 4.46Å; Q22-Y182 HydrophobicContact CB-CE1 4.15Å; Q22-Y182 VanDerWaalsContact CD-CD1 3.46Å; Q22-Y182 HydrophobicContact CG-CD1 4.24Å; Q22-Y182 HydrophobicContact CG-CD2 4.18Å; Q22-Y182 HydrophobicContact CG-CE1 4.32Å; Q22-Y182 HydrophobicContact CG-CE2 4.28Å; Q22-Y182 HydrophobicContact CG-CG 4.15Å; Q22-Y182 VanDerWaalsContact NE2-CB 3.29Å; Q22-Y182 PolarHBondContact NE2-O 3.43Å; Q22-Y182 VanDerWaalsContact OE1-CA 3.29Å; I178-Y182 HydrophobicContact CG2-CD1 3.99Å; I178-Y182 HydrophobicContact CG2-CD2 3.92Å; I178-Y182 HydrophobicContact CG2-CE1 3.54Å; I178-Y182 HydrophobicContact CG2-CE2 3.43Å; I178-Y182 VanDerWaalsContact CG2-CE2 3.43Å; I178-Y182 HydrophobicContact CG2-CG 4.19Å; I178-Y182 WeakPolarHBondContact O-CB 3.42Å; I178-Y182 WeakPolarHBondContact O-CD1 3.23Å; I178-Y182 PolarHBondContact O-N 3.38Å; P179-Y182 WeakPolarHBondContact O-CB 3.36Å; P179-Y182 PolarHBondContact O-N 2.93Å; E180-Y182 VanDerWaalsContact C-N 3.27Å; Y182-V185 WeakPolarHBondContact O-CB 3.39Å; Y182-V185 PolarHBondContact O-N 3.33Å; Y182-R186 WeakPolarHBondContact O-CG 3.5Å; Y182-R186 PolarHBondContact O-N 3.34Å
183E97.9Very high94.8Very high77 Ų7767.8 Ų67.836%0.3634%0.342SS..Hα-helixtrans-65.7-40.5174.6-176.952.8-148.400111.7P179 V181 V185 R186 Q187P179-E183 PolarHBondContact O-N 3.48Å; V181-E183 PolarHBondContact O-N 3.26Å; E183-V185 VanDerWaalsContact C-N 3.33Å; E183-V185 PolarHBondContact O-N 2.93Å; E183-R186 PolarHBondContact O-N 2.85Å; E183-Q187 WeakPolarHBondContact O-CG 3.47Å; E183-Q187 PolarHBondContact O-N 3.39Å; E183-Q187 PolarHBondContact OE1-NE2 2.88Å; E183-Q187 VanDerWaalsContact OE1-NE2 3.08Å
184Q98Very high94Very high53 Ų5366.1 Ų66.125%0.24833%0.332CS..Hα-helixtrans-60.3-42.5172.8-70169.780.600111.8I172 N173 E180 V181 R186 Q187 M188I172-Q184 HydrophobicContact CG2-CB 4.24Å; N173-Q184 PolarHBondContact O-NE2 3.01Å; E180-Q184 WeakPolarHBondContact O-CG 3.44Å; E180-Q184 PolarHBondContact O-N 2.95Å; E180-Q184 PolarHBondContact O-NE2 3.18Å; E180-Q184 VanDerWaalsContact O-NE2 3.16Å; V181-Q184 WeakPolarHBondContact O-CB 3.04Å; V181-Q184 PolarHBondContact O-N 3.47Å; Q184-R186 PolarHBondContact O-N 2.99Å; Q184-Q187 PolarHBondContact O-N 3.22Å; Q184-M188 PolarHBondContact O-N 3.08Å
185V96.2Very high93Very high0 Ų072 Ų720%037%0.368CS..Hα-helixtrans-58.9-46.8175.2172.80000110.7V19 I23 I172 V181 Y182 E183 Q187 M188 M189V19-V185 HydrophobicContact CB-CG2 4.47Å; V19-V185 HydrophobicContact CG1-CG2 3.71Å; V19-V185 HydrophobicContact CG2-CG2 4.15Å; I23-V185 HydrophobicContact CD1-CG1 4.02Å; I23-V185 HydrophobicContact CG1-CG1 3.48Å; I23-V185 VanDerWaalsContact CG1-CG1 3.48Å; I172-V185 HydrophobicContact CD1-CG2 3.64Å; V181-V185 WeakPolarHBondContact O-CG2 3.34Å; V181-V185 PolarHBondContact O-N 3.39Å; Y182-V185 WeakPolarHBondContact O-CB 3.39Å; Y182-V185 PolarHBondContact O-N 3.33Å; E183-V185 VanDerWaalsContact C-N 3.33Å; E183-V185 PolarHBondContact O-N 2.93Å; V185-Q187 VanDerWaalsContact C-N 3.34Å; V185-Q187 PolarHBondContact O-N 3.22Å; V185-M188 HydrophobicContact CG1-CE 4.24Å; V185-M188 PolarHBondContact O-N 2.84Å; V185-M189 HydrophobicContact CG1-CG 4.18Å; V185-M189 WeakPolarHBondContact O-CB 3.34Å; V185-M189 VanDerWaalsContact O-CG 3.3Å; V185-M189 WeakPolarHBondContact O-CG 3.13Å; V185-M189 PolarHBondContact O-N 3.29Å
186R95.1Very high92Very high95 Ų9570.5 Ų70.536%0.35836%0.364SS..Hα-helixtrans-61.8-41.2179.1-74.4177.2179.5163.65112.6E26 Y27 Y182 E183 Q184 M189 K190E26-R186 IonicContact OE1-CZ 3.43Å; E26-R186 IonicContact OE1-NE 3.2Å; E26-R186 PolarHBondContact OE1-NE 3.42Å; E26-R186 IonicContact OE1-NH2 2.79Å; E26-R186 PolarHBondContact OE1-NH2 2.97Å; E26-R186 WeakPolarHBondContact OE2-CG 3.32Å; E26-R186 IonicContact OE2-CZ 3.7Å; E26-R186 IonicContact OE2-NE 2.85Å; E26-R186 PolarHBondContact OE2-NE 3.25Å; E26-R186 IonicContact OE2-NH2 3.69Å; Y27-R186 WeakPolarHBondContact OH-CA 3.35Å; Y182-R186 WeakPolarHBondContact O-CG 3.5Å; Y182-R186 PolarHBondContact O-N 3.34Å; E183-R186 PolarHBondContact O-N 2.85Å; Q184-R186 PolarHBondContact O-N 2.99Å; R186-M189 PolarHBondContact O-N 3.33Å; R186-K190 VanDerWaalsContact O-CG 3.29Å; R186-K190 WeakPolarHBondContact O-CG 2.89Å; R186-K190 PolarHBondContact O-N 3.33Å; R186-K190 VanDerWaalsContact O-N 3.07Å
187Q95.5Very high90.9Very high107 Ų10768.3 Ų68.350%0.536%0.36SS..Hα-helixtrans-63-44.7177.1-71174.18.900111.3E183 Q184 V185 K190E183-Q187 WeakPolarHBondContact O-CG 3.47Å; E183-Q187 PolarHBondContact O-N 3.39Å; E183-Q187 PolarHBondContact OE1-NE2 2.88Å; E183-Q187 VanDerWaalsContact OE1-NE2 3.08Å; Q184-Q187 PolarHBondContact O-N 3.22Å; V185-Q187 VanDerWaalsContact C-N 3.34Å; V185-Q187 PolarHBondContact O-N 3.22Å; Q187-K190 PolarHBondContact O-N 2.96Å
188M94.7Very high89.5Confident8 Ų874.6 Ų74.64%0.03938%0.38CS..Hα-helixtrans-62.9-44.8174.7172.5-88.2-62.800112.1I23 I117 T170 I172 Q184 V185 K190 T191 L192I23-M188 HydrophobicContact CD1-CE 4.35Å; I117-M188 HydrophobicContact CD1-CE 3.53Å; I117-M188 HydrophobicContact CD1-SD 3.98Å; I117-M188 HydrophobicContact CG1-CE 3.84Å; I117-M188 HydrophobicContact CG1-SD 4.07Å; I117-M188 HydrophobicContact CG2-CE 4.17Å; T170-M188 HydrophobicContact CG2-CB 3.9Å; T170-M188 HydrophobicContact CG2-CG 3.53Å; I172-M188 HydrophobicContact CD1-CE 4.12Å; Q184-M188 PolarHBondContact O-N 3.08Å; V185-M188 HydrophobicContact CG1-CE 4.24Å; V185-M188 PolarHBondContact O-N 2.84Å; M188-K190 VanDerWaalsContact C-N 3.27Å; M188-K190 PolarHBondContact O-N 3.44Å; M188-T191 PolarHBondContact O-N 3.38Å; M188-T191 PolarHBondContact O-OG1 3.31Å; M188-L192 PolarHBondContact O-N 3.32Å; M188-L192 HydrophobicContact SD-CD1 3.57Å; M188-L192 VanDerWaalsContact SD-CD1 3.57Å; M188-L192 HydrophobicContact SD-CG 4.27Å
189M93.8Very high89.2Confident10 Ų1073.4 Ų73.45%0.04937%0.374CS..Hα-helixtrans-64.5-29.9179.5-71.3-58.9-5900113.1I23 Y27 F29 V185 R186 T191 L192I23-M189 HydrophobicContact CD1-SD 4.39Å; I23-M189 HydrophobicContact CG1-CG 4.49Å; I23-M189 HydrophobicContact CG1-SD 4.41Å; I23-M189 HydrophobicContact CG2-CE 3.92Å; I23-M189 HydrophobicContact CG2-SD 3.92Å; Y27-M189 HydrophobicContact CD1-CB 4.21Å; Y27-M189 HydrophobicContact CD1-CE 4.01Å; Y27-M189 HydrophobicContact CD2-CB 4.22Å; Y27-M189 HydrophobicContact CD2-CE 4Å; Y27-M189 HydrophobicContact CD2-CG 3.88Å; Y27-M189 HydrophobicContact CE1-CB 3.66Å; Y27-M189 HydrophobicContact CE1-CG 4.38Å; Y27-M189 HydrophobicContact CE2-CB 3.68Å; Y27-M189 HydrophobicContact CE2-CG 3.6Å; Y27-M189 HydrophobicContact CG-CB 4.47Å; Y27-M189 HydrophobicContact CG-CE 3.7Å; Y27-M189 HydrophobicContact CG-CG 4.4Å; F29-M189 HydrophobicContact CD2-CE 4.19Å; F29-M189 HydrophobicContact CE2-CE 3.49Å; F29-M189 VanDerWaalsContact CE2-CE 3.49Å; F29-M189 HydrophobicContact CZ-CE 3.78Å; V185-M189 HydrophobicContact CG1-CG 4.18Å; V185-M189 WeakPolarHBondContact O-CB 3.34Å; V185-M189 VanDerWaalsContact O-CG 3.3Å; V185-M189 WeakPolarHBondContact O-CG 3.13Å; V185-M189 PolarHBondContact O-N 3.29Å; R186-M189 PolarHBondContact O-N 3.33Å; M189-T191 PolarHBondContact O-N 3.06Å; M189-L192 HydrophobicContact CE-CD1 4.45Å; M189-L192 PolarHBondContact O-N 3.01Å; M189-L192 HydrophobicContact SD-CD1 3.79Å
190K91.8Very high88.8Confident149 Ų14972.3 Ų72.365%0.64836%0.361SS*.Hα-helixtrans-65.3-25.7173.8-73.5168.8-173.9174.40113.1R186 Q187 M188R186-K190 VanDerWaalsContact O-CG 3.29Å; R186-K190 WeakPolarHBondContact O-CG 2.89Å; R186-K190 PolarHBondContact O-N 3.33Å; R186-K190 VanDerWaalsContact O-N 3.07Å; Q187-K190 PolarHBondContact O-N 2.96Å; M188-K190 VanDerWaalsContact C-N 3.27Å; M188-K190 PolarHBondContact O-N 3.44Å
191T90.4Very high88.3Confident100 Ų10071.4 Ų71.461%0.61336%0.358SS*.Hα-helixtrans-86.3-21.2177.471.80000112.2M188 M189 N193M188-T191 PolarHBondContact O-N 3.38Å; M188-T191 PolarHBondContact O-OG1 3.31Å; M189-T191 PolarHBondContact O-N 3.06Å; T191-N193 PolarHBondContact O-N 3.15Å; T191-N193 VanDerWaalsContact O-N 3.1Å
192L86.6Confident87.7Confident18 Ų1874.9 Ų74.99%0.09438%0.375CS..SBendtrans-7794.1172.6-64.3-179.3000109.5N115 M188 M189 I194N115-L192 HydrophobicContact CB-CD1 4.14Å; N115-L192 HydrophobicContact CB-CD2 3.83Å; M188-L192 PolarHBondContact O-N 3.32Å; M188-L192 HydrophobicContact SD-CD1 3.57Å; M188-L192 VanDerWaalsContact SD-CD1 3.57Å; M188-L192 HydrophobicContact SD-CG 4.27Å; M189-L192 HydrophobicContact CE-CD1 4.45Å; M189-L192 PolarHBondContact O-N 3.01Å; M189-L192 HydrophobicContact SD-CD1 3.79Å; L192-I194 HydrophobicContact CB-CD1 3.97Å; L192-I194 HydrophobicContact CB-CG1 4.26Å; L192-I194 HydrophobicContact CD1-CD1 4.41Å; L192-I194 PolarHBondContact O-N 3.4Å
193N78.8Confident87.1Confident149 Ų14975.8 Ų75.880%0.79738%0.384SS*.  trans-63.471.9170.4-70.5-19.7000111.1T191T191-N193 PolarHBondContact O-N 3.15Å; T191-N193 VanDerWaalsContact O-N 3.1Å
194I81.9Confident86.4Confident28 Ų2875.7 Ų75.714%0.14439%0.385CS..  trans-125.6127-179.9-62.2170.6000107.4F29 N87 K114 L192 S196F29-I194 HydrophobicContact CE1-CD1 4.37Å; F29-I194 HydrophobicContact CE2-CG2 4.33Å; F29-I194 HydrophobicContact CZ-CB 4.42Å; F29-I194 HydrophobicContact CZ-CD1 3.8Å; F29-I194 HydrophobicContact CZ-CG2 3.94Å; N87-I194 WeakPolarHBondContact ND2-CG2 3.42Å; N87-I194 WeakPolarHBondContact OD1-CG2 3.18Å; K114-I194 HydrophobicContact CB-CD1 3.74Å; K114-I194 HydrophobicContact CD-CD1 4.4Å; K114-I194 HydrophobicContact CD-CG1 4.47Å; K114-I194 HydrophobicContact CG-CD1 3.69Å; K114-I194 HydrophobicContact CG-CG1 4.26Å; L192-I194 HydrophobicContact CB-CD1 3.97Å; L192-I194 HydrophobicContact CB-CG1 4.26Å; L192-I194 HydrophobicContact CD1-CD1 4.41Å; L192-I194 PolarHBondContact O-N 3.4Å; I194-S196 PolarHBondContact O-N 3.34Å
195V76.8Confident85.6Confident128 Ų12877.3 Ų77.378%0.77640%0.395SS*.  trans-66.7125173.9-178.10000108.2N87N87-V195 PolarHBondContact ND2-O 3.16Å
196S76.9Confident84.8Confident47 Ų4783.2 Ų83.233%0.32943%0.426SS..  trans-59.5145.9174.8-174.80000110.3Y27 I194 K198Y27-S196 VanDerWaalsContact C-OG 3.3Å; Y27-S196 PolarHBondContact O-OG 3.4Å; I194-S196 PolarHBondContact O-N 3.34Å; S196-K198 PolarHBondContact O-N 3.49Å; S196-K198 PolarHBondContact OG-N 3.02Å
197C73.5Confident83.9Confident53 Ų5382.3 Ų82.336%0.35843%0.431SS..  trans-86.511.2171.2-66.30000112.7G28 C85 N87G28-C197 WeakPolarHBondContact O-CB 3.47Å; C85-C197 HydrophobicContact CB-CB 4.23Å; C85-C197 PolarHBondContact SG-SG 2.68Å; N87-C197 PolarHBondContact ND2-SG 3.17Å
198K66.2Low82.9Confident190 Ų19080 Ų8083%0.82643%0.425SS*.  trans-99.60172.2-76-170.4170.6-162.40112Q25 S196Q25-K198 WeakPolarHBondContact O-CE 3.49Å; Q25-K198 PolarHBondContact O-NZ 3.24Å; S196-K198 PolarHBondContact O-N 3.49Å; S196-K198 PolarHBondContact OG-N 3.02Å

Retrieved 198 of 198 residues in 230.9 ms (Link to these results)

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