A0A087WWJ9_HUMAN Loading...

BRCA1-A complex subunit Abraxas 1

AlphaFold DB , UniProt , Accession A0A087WWJ9, Species HUMAN (Homo sapiens, Human), Gene ABRAXAS1, Length 220 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
1M59.8Low55.7Low22 Ų2250.8 Ų50.811%0.10828%0.281CS..  0142.30-178.1178.8-131.900108.8I52 I54 V124 L146 P158 L159 V160M1-I52 CarbonylContact C-O 3.53Å; M1-I52 WeakPolarHBondContact CA-O 3.47Å; M1-I52 HydrophobicContact CE-CB 3.83Å; M1-I52 HydrophobicContact CE-CG2 3.4Å; M1-I52 HydrophobicContact CG-CB 4.09Å; M1-I52 VanDerWaalsContact CG-O 3.24Å; M1-I52 WeakPolarHBondContact CG-O 3.49Å; M1-I54 HydrophobicContact CE-CD1 3.43Å; M1-I54 VanDerWaalsContact CE-CD1 3.43Å; M1-I54 HydrophobicContact CE-CG1 3.19Å; M1-I54 HydrophobicContact CG-CD1 4.49Å; M1-I54 HydrophobicContact CG-CG1 4.32Å; M1-I54 HydrophobicContact SD-CD1 3.54Å; M1-I54 VanDerWaalsContact SD-CD1 3.54Å; M1-I54 HydrophobicContact SD-CG1 3.81Å; M1-V124 HydrophobicContact CE-CG2 3.53Å; M1-V124 HydrophobicContact SD-CG2 4.37Å; M1-L146 HydrophobicContact CB-CD2 3.67Å; M1-L146 HydrophobicContact CE-CD1 4.47Å; M1-L146 HydrophobicContact CE-CD2 4.35Å; M1-L146 HydrophobicContact CG-CD2 4.04Å; M1-L146 HydrophobicContact SD-CD1 3.7Å; M1-L146 HydrophobicContact SD-CD2 3.17Å; M1-L146 WeakPolarHBondContact SD-CD2 3.5Å; M1-L146 HydrophobicContact SD-CG 4.06Å; M1-P158 PolarHBondContact N-O 3.34Å; M1-L159 HydrophobicContact CB-CD1 3.95Å; M1-L159 HydrophobicContact CG-CD1 3.8Å; M1-L159 HydrophobicContact SD-CD1 3.85Å; M1-V160 PolarHBondContact O-N 3.3Å
2K61.5Low55.7Low103 Ų10354.6 Ų54.645%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-112.8139.4174.7-69.6-178.8-1781730110.5T51 I52 I54 V160K2-T51 HydrophobicContact CB-CG2 4.34Å; K2-T51 HydrophobicContact CD-CG2 4.09Å; K2-T51 HydrophobicContact CG-CG2 4Å; K2-I52 PolarHBondContact N-O 3.25Å; K2-I54 PolarHBondContact O-N 3.21Å; K2-V160 WeakPolarHBondContact CA-O 3.39Å
3T50.3Low55.2Low4 Ų460 Ų603%0.02532%0.32CS..EExtended strand (participates in β ladder)trans-137.7159.2168.9-178.10000108.4E8 L159 V160 V161 A162T3-E8 HydrophobicContact CG2-CG 3.73Å; T3-E8 WeakPolarHBondContact CG2-OE1 3.35Å; T3-L159 HydrophobicContact CG2-CD1 3.82Å; T3-L159 HydrophobicContact CG2-CD2 4.41Å; T3-L159 HydrophobicContact CG2-CG 4.21Å; T3-V160 PolarHBondContact N-O 3.49Å; T3-V161 HydrophobicContact CG2-CG1 4.5Å; T3-V161 HydrophobicContact CG2-CG2 4.17Å; T3-V161 CarbonylContact O-C 3.56Å; T3-V161 WeakPolarHBondContact O-CA 3.48Å; T3-A162 PolarHBondContact O-N 3.44Å
4S56.2Low54.7Low30 Ų3059.1 Ų59.121%0.2132%0.321CS..EExtended strand (participates in β ladder)trans-104142.418058.80000111.3P6 K7 E8S4-P6 VanDerWaalsContact C-CD 3.47Å; S4-K7 WeakPolarHBondContact O-CB 3.25Å; S4-K7 PolarHBondContact O-N 3.36Å; S4-K7 WeakPolarHBondContact OG-CD 3.33Å; S4-K7 WeakPolarHBondContact OG-CE 3.46Å; S4-K7 VanDerWaalsContact OG-CG 3.22Å; S4-K7 WeakPolarHBondContact OG-CG 3.42Å; S4-K7 PolarHBondContact OG-NZ 3.1Å; S4-E8 PolarHBondContact O-N 3Å
5S57.7Low54.5Low36 Ų3656 Ų5625%0.25230%0.303SS..Hα-helixtrans-51.6-39.7-175.9-500000115.8K7 E8 N9 V161 A162S5-K7 PolarHBondContact O-N 3.45Å; S5-E8 PolarHBondContact O-N 2.68Å; S5-N9 WeakPolarHBondContact O-CB 3.39Å; S5-N9 PolarHBondContact O-N 3.47Å; S5-V161 WeakPolarHBondContact OG-CG1 3.4Å; S5-A162 PolarHBondContact N-O 3.2Å; S5-A162 PolarHBondContact OG-O 3.46Å
6P56Low54.4Low94 Ų9458.8 Ų58.861%0.6132%0.322SS*.Hα-helixtrans-62.8-31.3176.2-24.235.2000113.3S4 C10S4-P6 VanDerWaalsContact C-CD 3.47Å; P6-C10 VanDerWaalsContact O-CB 3.3Å; P6-C10 WeakPolarHBondContact O-CB 3.32Å; P6-C10 PolarHBondContact O-N 3.48Å
7K54.5Low54.1Low56 Ų5661.2 Ų61.224%0.24335%0.345CS..Hα-helixtrans-74.2-40.8179-63.1173.4-165.8150.60111S4 S5 C10 L11 I54 Q55S4-K7 WeakPolarHBondContact O-CB 3.25Å; S4-K7 PolarHBondContact O-N 3.36Å; S4-K7 WeakPolarHBondContact OG-CD 3.33Å; S4-K7 WeakPolarHBondContact OG-CE 3.46Å; S4-K7 VanDerWaalsContact OG-CG 3.22Å; S4-K7 WeakPolarHBondContact OG-CG 3.42Å; S4-K7 PolarHBondContact OG-NZ 3.1Å; S5-K7 PolarHBondContact O-N 3.45Å; K7-C10 PolarHBondContact O-N 2.7Å; K7-L11 VanDerWaalsContact O-CB 3.24Å; K7-L11 WeakPolarHBondContact O-CB 3.24Å; K7-L11 WeakPolarHBondContact O-CD1 3.15Å; K7-L11 VanDerWaalsContact O-CG 3.31Å; K7-L11 WeakPolarHBondContact O-CG 3.29Å; K7-L11 PolarHBondContact O-N 2.95Å; K7-I54 WeakPolarHBondContact CD-O 3.47Å; K7-I54 PolarHBondContact NZ-O 2.75Å; K7-Q55 WeakPolarHBondContact CD-O 3.44Å; K7-Q55 WeakPolarHBondContact CE-O 3.3Å
8E54.5Low54.1Low48 Ų4861.8 Ų61.822%0.22435%0.345CS..Hα-helixtrans-64.2-41172-70.5-164.9151.500112T3 S4 S5 C10 L11 F12 V161T3-E8 HydrophobicContact CG2-CG 3.73Å; T3-E8 WeakPolarHBondContact CG2-OE1 3.35Å; S4-E8 PolarHBondContact O-N 3Å; S5-E8 PolarHBondContact O-N 2.68Å; E8-C10 VanDerWaalsContact C-N 3.32Å; E8-C10 PolarHBondContact O-N 3.37Å; E8-L11 CarbonylContact O-C 3.6Å; E8-L11 WeakPolarHBondContact O-CA 3.41Å; E8-L11 WeakPolarHBondContact O-CB 2.99Å; E8-L11 PolarHBondContact O-N 3.43Å; E8-F12 WeakPolarHBondContact O-CB 3.41Å; E8-F12 PolarHBondContact O-N 2.93Å; E8-F12 VanDerWaalsContact O-N 3.08Å; E8-V161 HydrophobicContact CG-CG1 4.45Å; E8-V161 WeakPolarHBondContact OE1-CG2 3.3Å; E8-V161 WeakPolarHBondContact OE2-CG1 3.37Å; E8-V161 WeakPolarHBondContact OE2-CG2 3.43Å
9N53.2Low54.1Low95 Ų9568.3 Ų68.351%0.50837%0.369SS..Hα-helixtrans-67-32.8175.8-73.2-11.6000112.3S5 F12 L13S5-N9 WeakPolarHBondContact O-CB 3.39Å; S5-N9 PolarHBondContact O-N 3.47Å; N9-F12 WeakPolarHBondContact O-CB 3.48Å; N9-F12 PolarHBondContact O-N 3Å; N9-F12 VanDerWaalsContact O-N 3.08Å; N9-L13 WeakPolarHBondContact O-CB 3.31Å; N9-L13 WeakPolarHBondContact O-CG 3.34Å; N9-L13 PolarHBondContact O-N 3.21Å
10C53.7Low54.5Low59 Ų5971.3 Ų71.340%0.39939%0.385SS..Hα-helixtrans-72.3-42.2174-156.80000111.4P6 K7 E8 F12 L13 C14 Y57P6-C10 VanDerWaalsContact O-CB 3.3Å; P6-C10 WeakPolarHBondContact O-CB 3.32Å; P6-C10 PolarHBondContact O-N 3.48Å; K7-C10 PolarHBondContact O-N 2.7Å; E8-C10 VanDerWaalsContact C-N 3.32Å; E8-C10 PolarHBondContact O-N 3.37Å; C10-F12 PolarHBondContact O-N 3.29Å; C10-L13 PolarHBondContact O-N 3.36Å; C10-C14 WeakPolarHBondContact O-CB 3.44Å; C10-C14 PolarHBondContact O-N 3.19Å; C10-Y57 HydrophobicContact CB-CE1 4.29Å; C10-Y57 PolarHBondContact O-OH 3.36Å
11L55Low55.3Low12 Ų1269.3 Ų69.36%0.06338%0.381CS..Hα-helixtrans-66.123.5159.5-71.7163.8000112.2K7 E8 F15 Y57 Y93K7-L11 VanDerWaalsContact O-CB 3.24Å; K7-L11 WeakPolarHBondContact O-CB 3.24Å; K7-L11 WeakPolarHBondContact O-CD1 3.15Å; K7-L11 VanDerWaalsContact O-CG 3.31Å; K7-L11 WeakPolarHBondContact O-CG 3.29Å; K7-L11 PolarHBondContact O-N 2.95Å; E8-L11 CarbonylContact O-C 3.6Å; E8-L11 WeakPolarHBondContact O-CA 3.41Å; E8-L11 WeakPolarHBondContact O-CB 2.99Å; E8-L11 PolarHBondContact O-N 3.43Å; L11-F15 HydrophobicContact CB-CD2 4.41Å; L11-F15 HydrophobicContact CB-CE2 3.55Å; L11-F15 HydrophobicContact CB-CZ 4Å; L11-F15 HydrophobicContact CD2-CE1 4.48Å; L11-F15 HydrophobicContact CD2-CE2 3.65Å; L11-F15 HydrophobicContact CD2-CZ 3.32Å; L11-F15 HydrophobicContact CG-CE2 4.22Å; L11-F15 HydrophobicContact CG-CZ 4.24Å; L11-F15 WeakPolarHBondContact O-CD2 3.35Å; L11-F15 WeakPolarHBondContact O-CE2 3.17Å; L11-Y57 HydrophobicContact CD1-CD1 4.32Å; L11-Y57 HydrophobicContact CD2-CD1 3.61Å; L11-Y57 HydrophobicContact CD2-CD2 3.61Å; L11-Y57 HydrophobicContact CD2-CE1 4.02Å; L11-Y57 HydrophobicContact CD2-CE2 4.01Å; L11-Y57 HydrophobicContact CD2-CG 3.39Å; L11-Y57 HydrophobicContact CG-CD1 3.63Å; L11-Y57 HydrophobicContact CG-CD2 4.49Å; L11-Y57 HydrophobicContact CG-CE1 3.87Å; L11-Y57 HydrophobicContact CG-CG 3.98Å; L11-Y93 HydrophobicContact CD2-CE1 4.4Å
12F55.7Low56.5Low96 Ų9668.7 Ų68.742%0.42138%0.378SS..Hα-helixtrans-135.1-45171.4-176.5-95.2000108.5E8 N9 C10 F15 T16 L142E8-F12 WeakPolarHBondContact O-CB 3.41Å; E8-F12 PolarHBondContact O-N 2.93Å; E8-F12 VanDerWaalsContact O-N 3.08Å; N9-F12 WeakPolarHBondContact O-CB 3.48Å; N9-F12 PolarHBondContact O-N 3Å; N9-F12 VanDerWaalsContact O-N 3.08Å; C10-F12 PolarHBondContact O-N 3.29Å; F12-F15 WeakPolarHBondContact O-CA 3.07Å; F12-F15 WeakPolarHBondContact O-CB 3.45Å; F12-F15 PolarHBondContact O-N 3.19Å; F12-T16 HydrophobicContact CD1-CG2 4.44Å; F12-T16 HydrophobicContact CE1-CG2 4.05Å; F12-T16 HydrophobicContact CZ-CG2 4.25Å; F12-T16 PolarHBondContact O-N 3.06Å; F12-T16 VanDerWaalsContact O-N 3.08Å; F12-L142 HydrophobicContact CD2-CD2 3.53Å; F12-L142 HydrophobicContact CE2-CD2 3.69Å
13L50.1Low58Low125 Ų12563.8 Ų63.865%0.65436%0.357SS*.Hα-helixtrans-62.9-41.8173.9-81.1158.6000113.7N9 C10 F15N9-L13 WeakPolarHBondContact O-CB 3.31Å; N9-L13 WeakPolarHBondContact O-CG 3.34Å; N9-L13 PolarHBondContact O-N 3.21Å; C10-L13 PolarHBondContact O-N 3.36Å; L13-F15 PolarHBondContact O-N 3.35Å; L13-F15 VanDerWaalsContact O-N 3.14Å
14C48Very low60.1Low48 Ų4863.6 Ų63.632%0.32436%0.356SS..Hα-helixtrans-61.6-20.9171.9-930000112.4C10 Y57C10-C14 WeakPolarHBondContact O-CB 3.44Å; C10-C14 PolarHBondContact O-N 3.19Å; C14-Y57 PolarHBondContact SG-OH 3.43Å
15F52Low61.9Low12 Ų1262.2 Ų62.25%0.05335%0.346CS..Hα-helixtrans-104-27.6-162.1-58-21.2000114.1L11 F12 L13 S17 Y93L11-F15 HydrophobicContact CB-CD2 4.41Å; L11-F15 HydrophobicContact CB-CE2 3.55Å; L11-F15 HydrophobicContact CB-CZ 4Å; L11-F15 HydrophobicContact CD2-CE1 4.48Å; L11-F15 HydrophobicContact CD2-CE2 3.65Å; L11-F15 HydrophobicContact CD2-CZ 3.32Å; L11-F15 HydrophobicContact CG-CE2 4.22Å; L11-F15 HydrophobicContact CG-CZ 4.24Å; L11-F15 WeakPolarHBondContact O-CD2 3.35Å; L11-F15 WeakPolarHBondContact O-CE2 3.17Å; F12-F15 WeakPolarHBondContact O-CA 3.07Å; F12-F15 WeakPolarHBondContact O-CB 3.45Å; F12-F15 PolarHBondContact O-N 3.19Å; L13-F15 PolarHBondContact O-N 3.35Å; L13-F15 VanDerWaalsContact O-N 3.14Å; F15-S17 PolarHBondContact O-N 3.14Å; F15-Y93 HydrophobicContact CE1-CE2 4.21Å; F15-Y93 HydrophobicContact CE2-CE2 4.41Å; F15-Y93 AromaticContact CZ-CE2 3.66Å; F15-Y93 HydrophobicContact CZ-CE2 3.66Å; F15-Y93 AromaticContact CZ-CZ 3.96Å
16T51.9Low63.7Low100 Ų10060.5 Ų60.561%0.61333%0.334SS*.Hα-helixtrans-69.5-20.816955.10000112.3F12F12-T16 HydrophobicContact CD1-CG2 4.44Å; F12-T16 HydrophobicContact CE1-CG2 4.05Å; F12-T16 HydrophobicContact CZ-CG2 4.25Å; F12-T16 PolarHBondContact O-N 3.06Å; F12-T16 VanDerWaalsContact O-N 3.08Å
17S50Low65.4Low101 Ų10156.2 Ų56.271%0.70631%0.306SS*.SBendtrans-80.3-22.7-179.4-169.80000114.1F15F15-S17 PolarHBondContact O-N 3.14Å
18M53.3Low67.2Low71 Ų7153.6 Ų53.635%0.3529%0.294SS..  trans-105127.9-173.2-67.2-163.1164.300113.4N20 Y61 R97M18-N20 PolarHBondContact O-N 3.11Å; M18-Y61 HydrophobicContact CE-CD1 3.43Å; M18-Y61 VanDerWaalsContact CE-CD1 3.43Å; M18-Y61 HydrophobicContact CE-CE1 3.61Å; M18-Y61 HydrophobicContact SD-CD1 3.79Å; M18-Y61 HydrophobicContact SD-CE1 4.24Å; M18-R97 PolarHBondContact O-NH2 2.83Å
19K54.4Low68.9Low185 Ų18555.1 Ų55.180%0.80430%0.301SS*.SBendtrans-73.1-23.8-172.3-71.7-175.1176.7179.40115.1R97K19-R97 VanDerWaalsContact O-CZ 3.3Å; K19-R97 PolarHBondContact O-NH2 3.47Å
20N62.3Low70.6Confident129 Ų12954 Ų5469%0.6930%0.298SS*.SBendtrans-111.9168.8-174.8-69.5-6.9000112.2M18M18-N20 PolarHBondContact O-N 3.11Å
21G70.8Confident72.2Confident29 Ų2956 Ų5630%0.29930%0.3SS..  trans-56.1149.8173.800000112.1L63G21-L63 WeakPolarHBondContact O-CD2 3.48Å
22Q86.4Confident73.7Confident9 Ų957.9 Ų57.94%0.04232%0.323CS..  trans-133.3150.3-176.6-172.1171.116.400110.7P59 K94 F95Q22-P59 VanDerWaalsContact NE2-CB 3.31Å; Q22-K94 CarbonylContact O-C 3.52Å; Q22-K94 WeakPolarHBondContact O-CA 3.17Å; Q22-F95 HydrophobicContact CB-CB 4.4Å; Q22-F95 WeakPolarHBondContact O-CB 3.45Å; Q22-F95 PolarHBondContact O-N 2.77Å
23E92.4Very high75.1Confident0 Ų058.6 Ų58.60%033%0.327CS..EExtended strand (participates in β ladder)trans-144.416617657-164.1-177.900109.9C60 L63 F64 F66 Y67 Y93 K94E23-C60 HydrophobicContact CG-CB 4.49Å; E23-C60 WeakPolarHBondContact O-CA 3.48Å; E23-C60 VanDerWaalsContact O-CB 3.29Å; E23-C60 WeakPolarHBondContact O-CB 3.39Å; E23-C60 PolarHBondContact O-N 3.48Å; E23-L63 HydrophobicContact CG-CD2 4.09Å; E23-L63 WeakPolarHBondContact OE1-CA 3.49Å; E23-F64 PolarHBondContact OE1-N 3.28Å; E23-F66 HydrophobicContact CG-CE1 4.01Å; E23-Y67 WeakPolarHBondContact OE1-CE1 3.44Å; E23-Y67 PolarHBondContact OE1-OH 3.33Å; E23-Y67 PolarHBondContact OE2-OH 3.31Å; E23-Y93 WeakPolarHBondContact CA-O 3.38Å; E23-Y93 WeakPolarHBondContact CB-O 3.36Å; E23-K94 HydrophobicContact CB-CB 4.38Å; E23-K94 HydrophobicContact CB-CG 4.28Å; E23-K94 IonicContact OE2-NZ 2.63Å; E23-K94 PolarHBondContact OE2-NZ 3.34Å
24G93.8Very high76.6Confident0 Ų056 Ų560%032%0.324CS..EExtended strand (participates in β ladder)trans174.5-173-177.900000113.2I58 W92 Y93G24-I58 CarbonylContact C-O 3.53Å; G24-I58 WeakPolarHBondContact CA-O 3.37Å; G24-W92 CarbonylContact O-C 3.55Å; G24-W92 WeakPolarHBondContact O-CA 3.36Å; G24-W92 VanDerWaalsContact O-CB 3.25Å; G24-W92 WeakPolarHBondContact O-CB 3.46Å; G24-Y93 VanDerWaalsContact C-CD1 3.49Å; G24-Y93 VanDerWaalsContact C-CE1 3.49Å; G24-Y93 VanDerWaalsContact CA-CE1 3.46Å; G24-Y93 PolarHBondContact N-O 2.89Å; G24-Y93 WeakPolarHBondContact O-CD1 3.4Å; G24-Y93 PolarHBondContact O-N 3.39Å
25F95Very high78.1Confident1 Ų160.1 Ų60.10%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-108.2149-175.2-64.7-78.6000112.1Y57 I58 F66 L78 I81 L82 V89 W92 L114 F118F25-Y57 CarbonylContact O-C 3.5Å; F25-Y57 WeakPolarHBondContact O-CA 3.29Å; F25-I58 HydrophobicContact CB-CB 4.43Å; F25-I58 PolarHBondContact N-O 3.23Å; F25-I58 PolarHBondContact O-N 3.29Å; F25-F66 HydrophobicContact CE1-CE2 4.45Å; F25-F66 HydrophobicContact CE2-CD1 4.13Å; F25-F66 HydrophobicContact CE2-CD2 4.47Å; F25-F66 HydrophobicContact CE2-CE1 4.14Å; F25-F66 HydrophobicContact CE2-CE2 4.49Å; F25-F66 HydrophobicContact CE2-CG 4.31Å; F25-F66 HydrophobicContact CE2-CZ 4.34Å; F25-F66 HydrophobicContact CZ-CD1 4.24Å; F25-F66 AromaticContact CZ-CD2 3.82Å; F25-F66 HydrophobicContact CZ-CD2 3.82Å; F25-F66 HydrophobicContact CZ-CE1 4.12Å; F25-F66 AromaticContact CZ-CE2 3.7Å; F25-F66 HydrophobicContact CZ-CE2 3.7Å; F25-F66 HydrophobicContact CZ-CG 4.1Å; F25-F66 AromaticContact CZ-CZ 3.86Å; F25-F66 HydrophobicContact CZ-CZ 3.86Å; F25-L78 HydrophobicContact CE1-CD2 4.2Å; F25-L78 HydrophobicContact CE2-CD2 3.69Å; F25-L78 HydrophobicContact CZ-CD2 3.3Å; F25-I81 HydrophobicContact CD2-CG2 4.19Å; F25-I81 HydrophobicContact CE2-CG2 4.29Å; F25-L82 HydrophobicContact CB-CD2 4.43Å; F25-L82 HydrophobicContact CD2-CD2 4.15Å; F25-L82 HydrophobicContact CG-CD2 4.27Å; F25-V89 HydrophobicContact CD1-CG1 3.96Å; F25-W92 HydrophobicContact CD1-CB 4.01Å; F25-W92 HydrophobicContact CE1-CB 4.21Å; F25-L114 HydrophobicContact CE1-CD1 4.34Å; F25-L114 HydrophobicContact CE1-CD2 4.24Å; F25-L114 HydrophobicContact CZ-CD2 4.49Å; F25-F118 HydrophobicContact CD1-CE2 4.34Å; F25-F118 HydrophobicContact CD1-CZ 4.43Å; F25-F118 AromaticContact CE1-CE2 3.94Å; F25-F118 HydrophobicContact CE1-CE2 3.94Å; F25-F118 HydrophobicContact CE1-CZ 4.06Å
26L93.9Very high79.4Confident0 Ų065 Ų650%036%0.363CS..EExtended strand (participates in β ladder)trans-108.3125.7174.2-58.2173.5000108.3I54 V90 G91 Y93 L126L26-I54 HydrophobicContact CB-CG2 4.46Å; L26-I54 HydrophobicContact CD1-CD1 4.01Å; L26-I54 HydrophobicContact CD2-CD1 4.42Å; L26-I54 HydrophobicContact CD2-CG2 4.27Å; L26-V90 HydrophobicContact CB-CG2 4.24Å; L26-V90 WeakPolarHBondContact O-CG2 3.48Å; L26-V90 PolarHBondContact O-N 3.4Å; L26-G91 PolarHBondContact N-O 3.14Å; L26-G91 PolarHBondContact O-N 3.4Å; L26-Y93 HydrophobicContact CD2-CD1 3.77Å; L26-Y93 HydrophobicContact CD2-CG 4.4Å; L26-Y93 HydrophobicContact CG-CD1 4.2Å; L26-L126 HydrophobicContact CD1-CB 3.93Å; L26-L126 HydrophobicContact CD1-CD2 4.42Å
27L93.3Very high80.2Confident5 Ų563 Ų633%0.02635%0.353CS..EExtended strand (participates in β ladder)trans-110.9139.5179.6-55.9-179.3000110Q55 K56 I58 V85 K87 N88 V89L27-Q55 PolarHBondContact O-N 2.98Å; L27-K56 HydrophobicContact CB-CB 4.21Å; L27-K56 HydrophobicContact CD1-CB 4.38Å; L27-K56 HydrophobicContact CD1-CD 4.39Å; L27-K56 HydrophobicContact CD1-CG 4.39Å; L27-K56 PolarHBondContact N-O 3.27Å; L27-K56 PolarHBondContact O-N 3.01Å; L27-I58 HydrophobicContact CD1-CD1 3.72Å; L27-I58 HydrophobicContact CD1-CG1 4.02Å; L27-I58 HydrophobicContact CD2-CD1 4.45Å; L27-I58 HydrophobicContact CG-CD1 4.28Å; L27-I58 HydrophobicContact CG-CG1 4.47Å; L27-V85 HydrophobicContact CD1-CG1 3.51Å; L27-V85 HydrophobicContact CD1-CG2 4.32Å; L27-V85 HydrophobicContact CD2-CG1 3.68Å; L27-V85 HydrophobicContact CG-CG1 4.23Å; L27-K87 HydrophobicContact CB-CB 4.3Å; L27-N88 WeakPolarHBondContact CA-O 3.46Å; L27-V89 HydrophobicContact CD2-CB 4.38Å; L27-V89 HydrophobicContact CD2-CG2 3.76Å
28G91.4Very high81Confident0 Ų065.2 Ų65.20%036%0.355CS..EExtended strand (participates in β ladder)trans177.2-159.1-174.300000113.3D53 N88 V90G28-D53 WeakPolarHBondContact CA-O 3.5Å; G28-N88 PolarHBondContact N-O 3.46Å; G28-V90 VanDerWaalsContact C-CG1 3.4Å; G28-V90 WeakPolarHBondContact O-CG1 3.2Å
29E90.1Very high81.9Confident80 Ų8064.3 Ų64.337%0.37435%0.354SS..EExtended strand (participates in β ladder)trans-134.9153.9-178.9-71.2167.7-157.200110.5I52 D53 Q55E29-I52 WeakPolarHBondContact O-CA 3.36Å; E29-D53 PolarHBondContact N-O 2.98Å; E29-D53 VanDerWaalsContact N-O 3.12Å; E29-D53 PolarHBondContact O-N 3.03Å; E29-Q55 VanDerWaalsContact CD-NE2 3.26Å; E29-Q55 PolarHBondContact OE1-NE2 3.47Å; E29-Q55 PolarHBondContact OE2-NE2 2.83Å
30V88.8Confident82.9Confident72 Ų7264.3 Ų64.344%0.43636%0.363SS..EExtended strand (participates in β ladder)trans-111.1126.9173-172.50000107.8Y50 I52 V90V30-Y50 HydrophobicContact CG1-CD1 4.44Å; V30-I52 HydrophobicContact CG1-CG1 4.36Å; V30-I52 HydrophobicContact CG2-CG1 4.14Å; V30-I52 HydrophobicContact CG2-CG2 4.45Å; V30-V90 HydrophobicContact CG2-CG1 4.3Å
31K88.2Confident83.3Confident101 Ų10161.5 Ų61.544%0.43935%0.354SS..EExtended strand (participates in β ladder)trans-118.6127.5178.9-63.1-176.7179.7179.90109.1Y50 T51K31-Y50 CarbonylContact O-C 3.48Å; K31-Y50 WeakPolarHBondContact O-CA 3.02Å; K31-T51 PolarHBondContact N-O 2.94Å; K31-T51 PolarHBondContact O-N 3.05Å
32G85.3Confident82.8Confident52 Ų5270 Ų7054%0.53639%0.386SS..EExtended strand (participates in β ladder)trans-99122.8171.700000109.6
33E85Confident82Confident110 Ų11076.4 Ų76.451%0.51442%0.417SS..EExtended strand (participates in β ladder)trans-113.4118.3176.1-70.3174.2-168.200108.4V49E33-V49 PolarHBondContact N-O 2.89Å; E33-V49 PolarHBondContact O-N 2.83Å
34A83.4Confident80.7Confident72 Ų7283.2 Ų83.260%0.59545%0.454SS*.EExtended strand (participates in β ladder)trans-77.2122.4172.200000108.9V46 V48A34-V46 HydrophobicContact CB-CG1 4.36Å; A34-V48 HydrophobicContact CB-CG2 4.47Å
35K79.4Confident79.6Confident133 Ų13388.6 Ų88.658%0.57848%0.482SS*.EExtended strand (participates in β ladder)trans-112112.1177.4-168.1-179.3-179.8-171.50108.1S37 E47K35-S37 PolarHBondContact O-N 2.88Å; K35-E47 PolarHBondContact N-O 2.65Å; K35-E47 PolarHBondContact O-N 3.46Å
36N78.3Confident78.7Confident114 Ų11492.5 Ų92.561%0.6151%0.506SS*.EExtended strand (participates in β ladder)trans-80.8118.3172-62.8-11.2000107.7
37S69.3Low78.1Confident59 Ų5998.1 Ų98.141%0.41353%0.532SS..EExtended strand (participates in β ladder)trans-95.2104.7172.2-173.70000108.2K35 T39 D45K35-S37 PolarHBondContact O-N 2.88Å; S37-T39 PolarHBondContact O-N 2.74Å; S37-D45 PolarHBondContact N-O 3.01Å
38I67Low77.6Confident147 Ų147101.1 Ų101.175%0.75455%0.55SS**EExtended strand (participates in β ladder)trans-73.6115.4171.3-56.6173.5000106.6
39T72.3Confident77.3Confident52 Ų52103.8 Ų103.832%0.31957%0.567SS.*  trans-100.2156.3174.766.30000109.7S37 S41 M43S37-T39 PolarHBondContact O-N 2.74Å; T39-S41 CarbonylContact C-O 3.55Å; T39-S41 PolarHBondContact O-N 3.3Å; T39-S41 PolarHBondContact OG1-O 2.94Å; T39-S41 VanDerWaalsContact OG1-O 3.1Å; T39-S41 PolarHBondContact OG1-OG 2.74Å; T39-M43 PolarHBondContact OG1-O 2.89Å; T39-M43 VanDerWaalsContact OG1-O 3.11Å
40D74.3Confident77.1Confident186 Ų186107.4 Ų107.4100%0.99558%0.578SS**SBendtrans-67.9-11.7175.7-72.9-28.3000112.5
41S70.3Confident77.1Confident70 Ų70105.1 Ų105.149%0.4956%0.564SS.*SBendtrans-79.3140.5162.835.30000110.2T39 M43T39-S41 CarbonylContact C-O 3.55Å; T39-S41 PolarHBondContact O-N 3.3Å; T39-S41 PolarHBondContact OG1-O 2.94Å; T39-S41 VanDerWaalsContact OG1-O 3.1Å; T39-S41 PolarHBondContact OG1-OG 2.74Å; S41-M43 PolarHBondContact O-N 2.87Å
42Q62Low77.1Confident208 Ų208101 Ų10197%0.97255%0.547SS*.SBendtrans-6845.4176.7-64.7179.7-19.400113.4
43M68.1Low77.4Confident142 Ų142100.4 Ų100.470%0.753%0.531SS*.  trans-131.1121.2177.9-65.8-175.46800108.3T39 S41T39-M43 PolarHBondContact OG1-O 2.89Å; T39-M43 VanDerWaalsContact OG1-O 3.11Å; S41-M43 PolarHBondContact O-N 2.87Å
44D65.6Low77.6Confident144 Ų14495.3 Ų95.377%0.7751%0.508SS*.EExtended strand (participates in β ladder)trans-83.3120.7172-67-34.2000108.9
45D71.6Confident77.8Confident113 Ų11393.7 Ų93.760%0.60449%0.488SS*.EExtended strand (participates in β ladder)trans-106.3128.4168.6-166.817.4000109.4S37S37-D45 PolarHBondContact N-O 3.01Å
46V75.6Confident78.3Confident82 Ų8293.5 Ų93.550%0.49749%0.487SS..EExtended strand (participates in β ladder)trans-109.6105-177.4-177.70000108.4A34A34-V46 HydrophobicContact CB-CG1 4.36Å
47E81.8Confident78.8Confident118 Ų11889.7 Ų89.755%0.55146%0.464SS*.EExtended strand (participates in β ladder)trans-94.9128.4175.4-170.8-177-17700109.8K35 V49K35-E47 PolarHBondContact N-O 2.65Å; K35-E47 PolarHBondContact O-N 3.46Å; E47-V49 HydrophobicContact CG-CG2 4.45Å
48V82.7Confident79.9Confident68 Ų6888.1 Ų88.141%0.41245%0.451SS..EExtended strand (participates in β ladder)trans-98.7115.3173.1-1760000109.7A34 Y50A34-V48 HydrophobicContact CB-CG2 4.47Å; V48-Y50 HydrophobicContact CB-CE2 4.25Å; V48-Y50 HydrophobicContact CG1-CD2 4.3Å; V48-Y50 HydrophobicContact CG1-CE1 4.34Å; V48-Y50 HydrophobicContact CG1-CE2 3.75Å
49V84.8Confident81Confident57 Ų5782.5 Ų82.535%0.34542%0.424SS..EExtended strand (participates in β ladder)trans-96.5118.2178.1-178.30000109.6E33 E47E33-V49 PolarHBondContact N-O 2.89Å; E33-V49 PolarHBondContact O-N 2.83Å; E47-V49 HydrophobicContact CG-CG2 4.45Å
50Y84.9Confident81.8Confident156 Ų15680.3 Ų80.361%0.61241%0.411SS*.EExtended strand (participates in β ladder)trans-92.1116.7175-65-88.4000111.1V30 K31 V48V30-Y50 HydrophobicContact CG1-CD1 4.44Å; K31-Y50 CarbonylContact O-C 3.48Å; K31-Y50 WeakPolarHBondContact O-CA 3.02Å; V48-Y50 HydrophobicContact CB-CE2 4.25Å; V48-Y50 HydrophobicContact CG1-CD2 4.3Å; V48-Y50 HydrophobicContact CG1-CE1 4.34Å; V48-Y50 HydrophobicContact CG1-CE2 3.75Å
51T88.6Confident82.1Confident23 Ų2379.3 Ų79.314%0.14139%0.394CS..EExtended strand (participates in β ladder)trans-106.3119.7175.6-630000110.5K2 K31K2-T51 HydrophobicContact CB-CG2 4.34Å; K2-T51 HydrophobicContact CD-CG2 4.09Å; K2-T51 HydrophobicContact CG-CG2 4Å; K31-T51 PolarHBondContact N-O 2.94Å; K31-T51 PolarHBondContact O-N 3.05Å
52I89.4Confident82.9Confident15 Ų1582.9 Ų82.98%0.07740%0.403CS..EExtended strand (participates in β ladder)trans-88.3126.2167.4-49.6174.8000108.3M1 K2 E29 V30 V90 V124M1-I52 CarbonylContact C-O 3.53Å; M1-I52 WeakPolarHBondContact CA-O 3.47Å; M1-I52 HydrophobicContact CE-CB 3.83Å; M1-I52 HydrophobicContact CE-CG2 3.4Å; M1-I52 HydrophobicContact CG-CB 4.09Å; M1-I52 VanDerWaalsContact CG-O 3.24Å; M1-I52 WeakPolarHBondContact CG-O 3.49Å; K2-I52 PolarHBondContact N-O 3.25Å; E29-I52 WeakPolarHBondContact O-CA 3.36Å; V30-I52 HydrophobicContact CG1-CG1 4.36Å; V30-I52 HydrophobicContact CG2-CG1 4.14Å; V30-I52 HydrophobicContact CG2-CG2 4.45Å; I52-V90 HydrophobicContact CG2-CB 3.78Å; I52-V90 HydrophobicContact CG2-CG1 4.16Å; I52-V90 HydrophobicContact CG2-CG2 3.93Å; I52-V124 HydrophobicContact CD1-CG1 3.47Å; I52-V124 VanDerWaalsContact CD1-CG1 3.47Å; I52-V124 HydrophobicContact CD1-CG2 4.41Å
53D90.3Very high84Confident39 Ų3976 Ų7621%0.20937%0.372CS..EExtended strand (participates in β ladder)trans-106.3111.8175.6176.231.4000110G28 E29 Q55G28-D53 WeakPolarHBondContact CA-O 3.5Å; E29-D53 PolarHBondContact N-O 2.98Å; E29-D53 VanDerWaalsContact N-O 3.12Å; E29-D53 PolarHBondContact O-N 3.03Å; D53-Q55 PolarHBondContact O-N 2.97Å; D53-Q55 PolarHBondContact OD2-NE2 3.45Å
54I90.1Very high85Confident4 Ų473.5 Ų73.52%0.02136%0.358CS..EExtended strand (participates in β ladder)trans-79119.7175.4-53.7179.1000109.3M1 K2 K7 L26M1-I54 HydrophobicContact CE-CD1 3.43Å; M1-I54 VanDerWaalsContact CE-CD1 3.43Å; M1-I54 HydrophobicContact CE-CG1 3.19Å; M1-I54 HydrophobicContact CG-CD1 4.49Å; M1-I54 HydrophobicContact CG-CG1 4.32Å; M1-I54 HydrophobicContact SD-CD1 3.54Å; M1-I54 VanDerWaalsContact SD-CD1 3.54Å; M1-I54 HydrophobicContact SD-CG1 3.81Å; K2-I54 PolarHBondContact O-N 3.21Å; K7-I54 WeakPolarHBondContact CD-O 3.47Å; K7-I54 PolarHBondContact NZ-O 2.75Å; L26-I54 HydrophobicContact CB-CG2 4.46Å; L26-I54 HydrophobicContact CD1-CD1 4.01Å; L26-I54 HydrophobicContact CD2-CD1 4.42Å; L26-I54 HydrophobicContact CD2-CG2 4.27Å
55Q87.3Confident86.3Confident37 Ų3768.2 Ų68.217%0.17333%0.332CS..EExtended strand (participates in β ladder)trans-106.3-34.8-177-63.6179.5-0.700113.5K7 L27 E29 D53K7-Q55 WeakPolarHBondContact CD-O 3.44Å; K7-Q55 WeakPolarHBondContact CE-O 3.3Å; L27-Q55 PolarHBondContact O-N 2.98Å; E29-Q55 VanDerWaalsContact CD-NE2 3.26Å; E29-Q55 PolarHBondContact OE1-NE2 3.47Å; E29-Q55 PolarHBondContact OE2-NE2 2.83Å; D53-Q55 PolarHBondContact O-N 2.97Å; D53-Q55 PolarHBondContact OD2-NE2 3.45Å
56K89.3Confident87.3Confident129 Ų12962.8 Ų62.856%0.56130%0.304SS*.EExtended strand (participates in β ladder)trans-151.2159.9-178.9-178.4171.5-179.5178.60110.2L27L27-K56 HydrophobicContact CB-CB 4.21Å; L27-K56 HydrophobicContact CD1-CB 4.38Å; L27-K56 HydrophobicContact CD1-CD 4.39Å; L27-K56 HydrophobicContact CD1-CG 4.39Å; L27-K56 PolarHBondContact N-O 3.27Å; L27-K56 PolarHBondContact O-N 3.01Å
57Y90.1Very high88.3Confident35 Ų3559.2 Ų59.214%0.13728%0.281CS..EExtended strand (participates in β ladder)trans-124.2158.7168.672-83.2000111.2C10 L11 C14 F25 P59 Y93C10-Y57 HydrophobicContact CB-CE1 4.29Å; C10-Y57 PolarHBondContact O-OH 3.36Å; L11-Y57 HydrophobicContact CD1-CD1 4.32Å; L11-Y57 HydrophobicContact CD2-CD1 3.61Å; L11-Y57 HydrophobicContact CD2-CD2 3.61Å; L11-Y57 HydrophobicContact CD2-CE1 4.02Å; L11-Y57 HydrophobicContact CD2-CE2 4.01Å; L11-Y57 HydrophobicContact CD2-CG 3.39Å; L11-Y57 HydrophobicContact CG-CD1 3.63Å; L11-Y57 HydrophobicContact CG-CD2 4.49Å; L11-Y57 HydrophobicContact CG-CE1 3.87Å; L11-Y57 HydrophobicContact CG-CG 3.98Å; C14-Y57 PolarHBondContact SG-OH 3.43Å; F25-Y57 CarbonylContact O-C 3.5Å; F25-Y57 WeakPolarHBondContact O-CA 3.29Å; Y57-P59 HydrophobicContact CE2-CB 4.31Å; Y57-P59 HydrophobicContact CE2-CG 4.17Å; Y57-Y93 HydrophobicContact CD2-CE1 4.22Å
58I90.9Very high88.8Confident26 Ų2656.5 Ų56.513%0.13327%0.27CS..EExtended strand (participates in β ladder)trans-124110.6173.1-63.4176.4000108.1G24 F25 L27 I81 L82 V85G24-I58 CarbonylContact C-O 3.53Å; G24-I58 WeakPolarHBondContact CA-O 3.37Å; F25-I58 HydrophobicContact CB-CB 4.43Å; F25-I58 PolarHBondContact N-O 3.23Å; F25-I58 PolarHBondContact O-N 3.29Å; L27-I58 HydrophobicContact CD1-CD1 3.72Å; L27-I58 HydrophobicContact CD1-CG1 4.02Å; L27-I58 HydrophobicContact CD2-CD1 4.45Å; L27-I58 HydrophobicContact CG-CD1 4.28Å; L27-I58 HydrophobicContact CG-CG1 4.47Å; I58-I81 HydrophobicContact CG2-CG2 3.9Å; I58-L82 HydrophobicContact CD1-CD2 3.84Å; I58-V85 HydrophobicContact CD1-CG2 3.29Å
59P90.6Very high89.1Confident28 Ų2857.3 Ų57.318%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-74.8137.717630.2-32.6000111.4Q22 Y57 Y61 Y93Q22-P59 VanDerWaalsContact NE2-CB 3.31Å; Y57-P59 HydrophobicContact CE2-CB 4.31Å; Y57-P59 HydrophobicContact CE2-CG 4.17Å; P59-Y61 HydrophobicContact CB-CE1 4.01Å; P59-Y61 HydrophobicContact CG-CE1 3.99Å; P59-Y61 HydrophobicContact CG-CE2 4.28Å; P59-Y61 WeakPolarHBondContact CG-OH 3.32Å; P59-Y93 WeakPolarHBondContact CA-OH 3.32Å
60C89.6Confident89.4Confident7 Ų757.8 Ų57.85%0.04729%0.285CS..EExtended strand (participates in β ladder)trans-102.4112.7164.9-610000108.3E23 Q62 F66E23-C60 HydrophobicContact CG-CB 4.49Å; E23-C60 WeakPolarHBondContact O-CA 3.48Å; E23-C60 VanDerWaalsContact O-CB 3.29Å; E23-C60 WeakPolarHBondContact O-CB 3.39Å; E23-C60 PolarHBondContact O-N 3.48Å; C60-Q62 VanDerWaalsContact C-N 3.25Å; C60-Q62 PolarHBondContact O-N 3.36Å; C60-F66 HydrophobicContact CB-CE1 4.49Å
61Y81.1Confident89.7Confident165 Ų16550.4 Ų50.465%0.64726%0.256SS*.SBendtrans-77.2-10.2-172.9-59.5-65.4000114.3M18 P59M18-Y61 HydrophobicContact CE-CD1 3.43Å; M18-Y61 VanDerWaalsContact CE-CD1 3.43Å; M18-Y61 HydrophobicContact CE-CE1 3.61Å; M18-Y61 HydrophobicContact SD-CD1 3.79Å; M18-Y61 HydrophobicContact SD-CE1 4.24Å; P59-Y61 HydrophobicContact CB-CE1 4.01Å; P59-Y61 HydrophobicContact CG-CE1 3.99Å; P59-Y61 HydrophobicContact CG-CE2 4.28Å; P59-Y61 WeakPolarHBondContact CG-OH 3.32Å
62Q85.8Confident89.9Confident144 Ų14454.7 Ų54.767%0.67327%0.274SS*.SBendtrans-122.4128.7176.2-176.5176.3-2.200109.3C60 S65C60-Q62 VanDerWaalsContact C-N 3.25Å; C60-Q62 PolarHBondContact O-N 3.36Å; Q62-S65 WeakPolarHBondContact O-CB 3.44Å; Q62-S65 PolarHBondContact O-N 3.02Å; Q62-S65 PolarHBondContact O-OG 3.44Å
63L85.6Confident90.2Very high63 Ų6355.6 Ų55.633%0.3328%0.28SS..THydrogen-bonded Turntrans-63.6146171.1-67.3176.6000110.1G21 E23 S65G21-L63 WeakPolarHBondContact O-CD2 3.48Å; E23-L63 HydrophobicContact CG-CD2 4.09Å; E23-L63 WeakPolarHBondContact OE1-CA 3.49Å; L63-S65 PolarHBondContact O-N 3.28Å
64F89.4Confident90.4Very high90 Ų9057.4 Ų57.440%0.39529%0.29SS..THydrogen-bonded Turntrans61.124.5-177.4-50-85.2000113.1E23 F66 Y67E23-F64 PolarHBondContact OE1-N 3.28Å; F64-F66 VanDerWaalsContact C-N 3.28Å; F64-F66 PolarHBondContact O-N 3.17Å; F64-Y67 CarbonylContact C-O 3.56Å; F64-Y67 WeakPolarHBondContact CB-O 3.45Å; F64-Y67 AromaticContact CD1-CD2 3.97Å; F64-Y67 HydrophobicContact CD1-CD2 3.97Å; F64-Y67 AromaticContact CD1-CE2 3.35Å; F64-Y67 HydrophobicContact CD1-CE2 3.35Å; F64-Y67 AromaticContact CD1-CZ 3.86Å; F64-Y67 AromaticContact CE1-CE2 3.69Å; F64-Y67 HydrophobicContact CE1-CE2 3.69Å; F64-Y67 HydrophobicContact CG-CE2 4.29Å
65S91.8Very high90.6Very high33 Ų3363.4 Ų63.423%0.23132%0.318CS..SBendtrans-70.5-24.6179.444.90000113.3Q62 L63 A77Q62-S65 WeakPolarHBondContact O-CB 3.44Å; Q62-S65 PolarHBondContact O-N 3.02Å; Q62-S65 PolarHBondContact O-OG 3.44Å; L63-S65 PolarHBondContact O-N 3.28Å; S65-A77 VanDerWaalsContact O-CB 3.26Å; S65-A77 WeakPolarHBondContact O-CB 3.4Å
66F94.4Very high90.8Very high0 Ų069.4 Ų69.40%035%0.346CS..SBendtrans-1288.7-176.364.1-91.5000114E23 F25 C60 F64 N74 A77 L78 I81 L110 L114E23-F66 HydrophobicContact CG-CE1 4.01Å; F25-F66 HydrophobicContact CE1-CE2 4.45Å; F25-F66 HydrophobicContact CE2-CD1 4.13Å; F25-F66 HydrophobicContact CE2-CD2 4.47Å; F25-F66 HydrophobicContact CE2-CE1 4.14Å; F25-F66 HydrophobicContact CE2-CE2 4.49Å; F25-F66 HydrophobicContact CE2-CG 4.31Å; F25-F66 HydrophobicContact CE2-CZ 4.34Å; F25-F66 HydrophobicContact CZ-CD1 4.24Å; F25-F66 AromaticContact CZ-CD2 3.82Å; F25-F66 HydrophobicContact CZ-CD2 3.82Å; F25-F66 HydrophobicContact CZ-CE1 4.12Å; F25-F66 AromaticContact CZ-CE2 3.7Å; F25-F66 HydrophobicContact CZ-CE2 3.7Å; F25-F66 HydrophobicContact CZ-CG 4.1Å; F25-F66 AromaticContact CZ-CZ 3.86Å; F25-F66 HydrophobicContact CZ-CZ 3.86Å; C60-F66 HydrophobicContact CB-CE1 4.49Å; F64-F66 VanDerWaalsContact C-N 3.28Å; F64-F66 PolarHBondContact O-N 3.17Å; F66-N74 PolarHBondContact O-N 2.86Å; F66-A77 HydrophobicContact CB-CB 4.5Å; F66-L78 HydrophobicContact CB-CD2 3.61Å; F66-L78 HydrophobicContact CB-CG 4.04Å; F66-L78 HydrophobicContact CD2-CD2 3.77Å; F66-L78 HydrophobicContact CG-CD2 3.83Å; F66-I81 HydrophobicContact CB-CD1 3.88Å; F66-I81 HydrophobicContact CD1-CD1 4.37Å; F66-L110 HydrophobicContact CE2-CD1 4.17Å; F66-L110 HydrophobicContact CE2-CD2 4.08Å; F66-L110 HydrophobicContact CZ-CD2 4.37Å; F66-L114 HydrophobicContact CD2-CD2 4.43Å; F66-L114 HydrophobicContact CE2-CD1 4.22Å; F66-L114 HydrophobicContact CE2-CD2 4.3Å
67Y95.3Very high91Very high7 Ų764.2 Ų64.23%0.02733%0.327CS..BIsolated β-bridgetrans-156.9158.1177.264.2-82.9000111.6E23 F64 E72 K94 L110E23-Y67 WeakPolarHBondContact OE1-CE1 3.44Å; E23-Y67 PolarHBondContact OE1-OH 3.33Å; E23-Y67 PolarHBondContact OE2-OH 3.31Å; F64-Y67 CarbonylContact C-O 3.56Å; F64-Y67 WeakPolarHBondContact CB-O 3.45Å; F64-Y67 AromaticContact CD1-CD2 3.97Å; F64-Y67 HydrophobicContact CD1-CD2 3.97Å; F64-Y67 AromaticContact CD1-CE2 3.35Å; F64-Y67 HydrophobicContact CD1-CE2 3.35Å; F64-Y67 AromaticContact CD1-CZ 3.86Å; F64-Y67 AromaticContact CE1-CE2 3.69Å; F64-Y67 HydrophobicContact CE1-CE2 3.69Å; F64-Y67 HydrophobicContact CG-CE2 4.29Å; Y67-E72 CarbonylContact C-O 3.59Å; Y67-E72 WeakPolarHBondContact CA-O 3.39Å; Y67-E72 VanDerWaalsContact CB-O 3.24Å; Y67-E72 WeakPolarHBondContact CB-O 3.24Å; Y67-K94 PolarHBondContact OH-NZ 3.39Å; Y67-L110 HydrophobicContact CD1-CD1 4Å; Y67-L110 HydrophobicContact CD1-CD2 3.61Å; Y67-L110 HydrophobicContact CD1-CG 4.48Å; Y67-L110 HydrophobicContact CD2-CD1 4.26Å; Y67-L110 HydrophobicContact CD2-CD2 3.99Å; Y67-L110 HydrophobicContact CE1-CD2 3.58Å; Y67-L110 HydrophobicContact CE2-CD2 4Å; Y67-L110 HydrophobicContact CG-CD1 3.7Å; Y67-L110 HydrophobicContact CG-CD2 3.82Å; Y67-L110 HydrophobicContact CG-CG 4.39Å
68N92.8Very high91.1Very high61 Ų6162.6 Ų62.633%0.32632%0.321SS..  trans-93.6-178.3-179.671.313000113.4S70 G71 E72N68-S70 PolarHBondContact O-N 3.26Å; N68-S70 WeakPolarHBondContact OD1-CA 3.36Å; N68-S70 WeakPolarHBondContact OD1-CB 3.14Å; N68-S70 PolarHBondContact OD1-N 2.67Å; N68-G71 PolarHBondContact O-N 3.36Å; N68-G71 PolarHBondContact OD1-N 2.82Å; N68-G71 VanDerWaalsContact OD1-N 3.13Å; N68-E72 PolarHBondContact N-O 3.21Å; N68-E72 PolarHBondContact ND2-OE2 3.49Å; N68-E72 WeakPolarHBondContact OD1-CB 3.35Å; N68-E72 PolarHBondContact OD1-N 3.1Å
69S89.7Confident91.1Very high85 Ų8569.4 Ų69.459%0.59435%0.35SS*.THydrogen-bonded Turntrans-60.8-27.9-179.751.60000113.9G71 R106S69-G71 VanDerWaalsContact C-N 3.29Å; S69-R106 PolarHBondContact O-NE 2.84Å; S69-R106 PolarHBondContact O-NH2 3.49Å
70S90.5Very high91.2Very high67 Ų6776 Ų7647%0.46938%0.376SS..THydrogen-bonded Turntrans-80.8-3.4175-54.70000113.3N68 E72 L109N68-S70 PolarHBondContact O-N 3.26Å; N68-S70 WeakPolarHBondContact OD1-CA 3.36Å; N68-S70 WeakPolarHBondContact OD1-CB 3.14Å; N68-S70 PolarHBondContact OD1-N 2.67Å; S70-E72 VanDerWaalsContact C-N 3.3Å; S70-L109 WeakPolarHBondContact O-CD2 3.46Å
71G90.3Very high91.2Very high0 Ų078.1 Ų78.10%039%0.386CS..  trans79.88.3-178.200000114.2N68 S69 N113N68-G71 PolarHBondContact O-N 3.36Å; N68-G71 PolarHBondContact OD1-N 2.82Å; N68-G71 VanDerWaalsContact OD1-N 3.13Å; S69-G71 VanDerWaalsContact C-N 3.29Å; G71-N113 PolarHBondContact O-ND2 3.33Å
72E94.2Very high91.7Very high114 Ų11471.5 Ų71.553%0.53336%0.361SS..  trans-74.2137.9175.1-57.8170157.200109.8Y67 N68 S70Y67-E72 CarbonylContact C-O 3.59Å; Y67-E72 WeakPolarHBondContact CA-O 3.39Å; Y67-E72 VanDerWaalsContact CB-O 3.24Å; Y67-E72 WeakPolarHBondContact CB-O 3.24Å; N68-E72 PolarHBondContact N-O 3.21Å; N68-E72 PolarHBondContact ND2-OE2 3.49Å; N68-E72 WeakPolarHBondContact OD1-CB 3.35Å; N68-E72 PolarHBondContact OD1-N 3.1Å; S70-E72 VanDerWaalsContact C-N 3.3Å
73V95.4Very high91.6Very high33 Ų3368.4 Ų68.420%0.236%0.356CS..BIsolated β-bridgetrans-80.9134.9-173.4170.10000110.6L78 L110 N113 L114V73-L78 HydrophobicContact CG1-CD1 3.18Å; V73-L78 HydrophobicContact CG1-CG 3.94Å; V73-L110 HydrophobicContact CG2-CD1 3.97Å; V73-N113 HydrophobicContact CG2-CB 3.71Å; V73-L114 HydrophobicContact CG1-CD2 4.48Å; V73-L114 HydrophobicContact CG2-CD2 3.79Å; V73-L114 HydrophobicContact CG2-CG 4.17Å
74N94.9Very high91.2Very high78 Ų7872.8 Ų72.842%0.41738%0.379SS..  trans-91.798.6169.3-176.5-28.3000109.5F66 Q76 A77 L78F66-N74 PolarHBondContact O-N 2.86Å; N74-Q76 VanDerWaalsContact C-N 3.31Å; N74-Q76 PolarHBondContact O-N 3.34Å; N74-Q76 PolarHBondContact OD1-N 3.35Å; N74-A77 HydrophobicContact CB-CB 3.97Å; N74-A77 PolarHBondContact O-N 3.48Å; N74-A77 PolarHBondContact OD1-N 3.46Å; N74-L78 PolarHBondContact O-N 2.95Å
75E92.8Very high90.8Very high129 Ų12970.4 Ų70.460%0.60337%0.372SS*.Hα-helixtrans-60.9-36.9-176.3-57.1-167.2160.300113.3L78 K79 H117E75-L78 PolarHBondContact O-N 2.81Å; E75-K79 WeakPolarHBondContact O-CB 3.39Å; E75-K79 PolarHBondContact O-N 3.15Å; E75-H117 IonicContact OE1-ND1 3.94Å
76Q93.1Very high89.7Confident164 Ų16478.9 Ų78.977%0.76641%0.405SS*.Hα-helixtrans-66.5-42.1179.4-63.9-176.1-4.500111N74 K79 K80N74-Q76 VanDerWaalsContact C-N 3.31Å; N74-Q76 PolarHBondContact O-N 3.34Å; N74-Q76 PolarHBondContact OD1-N 3.35Å; Q76-K79 PolarHBondContact O-N 3.44Å; Q76-K80 PolarHBondContact O-N 2.9Å
77A92.4Very high88.6Confident20 Ų2083.7 Ų83.717%0.16543%0.426CS..Hα-helixtrans-65.5-44.1175.600000111.4S65 F66 N74 K79 K80 I81S65-A77 VanDerWaalsContact O-CB 3.26Å; S65-A77 WeakPolarHBondContact O-CB 3.4Å; F66-A77 HydrophobicContact CB-CB 4.5Å; N74-A77 HydrophobicContact CB-CB 3.97Å; N74-A77 PolarHBondContact O-N 3.48Å; N74-A77 PolarHBondContact OD1-N 3.46Å; A77-K79 PolarHBondContact O-N 3.4Å; A77-K80 WeakPolarHBondContact O-CB 3.34Å; A77-K80 PolarHBondContact O-N 3.34Å; A77-I81 WeakPolarHBondContact O-CD1 3.35Å; A77-I81 VanDerWaalsContact O-CG1 3.29Å; A77-I81 WeakPolarHBondContact O-CG1 3.45Å; A77-I81 PolarHBondContact O-N 2.88Å
78L92.4Very high88.3Confident1 Ų189 Ų891%0.00546%0.455CS..Hα-helixtrans-59.1-47.6174.5-80.1-172.4000112.2F25 F66 V73 N74 E75 K80 I81 L82 L114 H117 F118F25-L78 HydrophobicContact CE1-CD2 4.2Å; F25-L78 HydrophobicContact CE2-CD2 3.69Å; F25-L78 HydrophobicContact CZ-CD2 3.3Å; F66-L78 HydrophobicContact CB-CD2 3.61Å; F66-L78 HydrophobicContact CB-CG 4.04Å; F66-L78 HydrophobicContact CD2-CD2 3.77Å; F66-L78 HydrophobicContact CG-CD2 3.83Å; V73-L78 HydrophobicContact CG1-CD1 3.18Å; V73-L78 HydrophobicContact CG1-CG 3.94Å; N74-L78 PolarHBondContact O-N 2.95Å; E75-L78 PolarHBondContact O-N 2.81Å; L78-K80 PolarHBondContact O-N 2.87Å; L78-I81 PolarHBondContact O-N 2.83Å; L78-I81 VanDerWaalsContact O-N 3.13Å; L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 WeakPolarHBondContact O-CG 3.17Å; L78-L82 PolarHBondContact O-N 3.27Å; L78-L114 HydrophobicContact CD1-CD2 3.95Å; L78-H117 VanDerWaalsContact CD1-CD2 3.43Å; L78-H117 WeakPolarHBondContact CD1-CD2 3.25Å; L78-F118 HydrophobicContact CD1-CZ 4.13Å
79K91Very high88.3Confident168 Ų16887 Ų8773%0.7345%0.445SS*.Hα-helixtrans-58.4-36.8177.7-172.4175-177.8176.60111.5E75 Q76 A77 S83E75-K79 WeakPolarHBondContact O-CB 3.39Å; E75-K79 PolarHBondContact O-N 3.15Å; Q76-K79 PolarHBondContact O-N 3.44Å; A77-K79 PolarHBondContact O-N 3.4Å; K79-S83 VanDerWaalsContact O-CA 3.25Å; K79-S83 WeakPolarHBondContact O-CA 3.36Å; K79-S83 VanDerWaalsContact O-CB 3.25Å; K79-S83 WeakPolarHBondContact O-CB 3.34Å; K79-S83 PolarHBondContact O-N 3.35Å
80K91.9Very high88.5Confident168 Ų16883.1 Ų83.173%0.7342%0.418SS*.Hα-helixtrans-67.9-46.7175.2-174.1177.2179.2-1800111.9Q76 A77 L78 L82 S83Q76-K80 PolarHBondContact O-N 2.9Å; A77-K80 WeakPolarHBondContact O-CB 3.34Å; A77-K80 PolarHBondContact O-N 3.34Å; L78-K80 PolarHBondContact O-N 2.87Å; K80-L82 VanDerWaalsContact C-N 3.32Å; K80-L82 PolarHBondContact O-N 3Å; K80-S83 WeakPolarHBondContact O-CB 3.41Å; K80-S83 PolarHBondContact O-N 2.83Å; K80-S83 PolarHBondContact O-OG 3.42Å
81I90.8Very high88.8Confident50 Ų5080 Ų8026%0.25640%0.395SS..Hα-helixtrans-63.4-39.7-180-68.2162.2000111.1F25 I58 F66 A77 L78F25-I81 HydrophobicContact CD2-CG2 4.19Å; F25-I81 HydrophobicContact CE2-CG2 4.29Å; I58-I81 HydrophobicContact CG2-CG2 3.9Å; F66-I81 HydrophobicContact CB-CD1 3.88Å; F66-I81 HydrophobicContact CD1-CD1 4.37Å; A77-I81 WeakPolarHBondContact O-CD1 3.35Å; A77-I81 VanDerWaalsContact O-CG1 3.29Å; A77-I81 WeakPolarHBondContact O-CG1 3.45Å; A77-I81 PolarHBondContact O-N 2.88Å; L78-I81 PolarHBondContact O-N 2.83Å; L78-I81 VanDerWaalsContact O-N 3.13Å
82L90.3Very high89Confident26 Ų2680 Ų8014%0.13640%0.395CS..THydrogen-bonded Turntrans-98.46.8-175-58.8175.5000113.4F25 I58 L78 K80 N84 V85 V89 F118F25-L82 HydrophobicContact CB-CD2 4.43Å; F25-L82 HydrophobicContact CD2-CD2 4.15Å; F25-L82 HydrophobicContact CG-CD2 4.27Å; I58-L82 HydrophobicContact CD1-CD2 3.84Å; L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 WeakPolarHBondContact O-CG 3.17Å; L78-L82 PolarHBondContact O-N 3.27Å; K80-L82 VanDerWaalsContact C-N 3.32Å; K80-L82 PolarHBondContact O-N 3Å; L82-N84 PolarHBondContact O-N 3.15Å; L82-N84 VanDerWaalsContact O-N 3.1Å; L82-V85 HydrophobicContact CB-CG2 4.27Å; L82-V85 HydrophobicContact CD2-CG2 4.08Å; L82-V85 WeakPolarHBondContact O-CB 3.43Å; L82-V85 WeakPolarHBondContact O-CG2 3.36Å; L82-V85 PolarHBondContact O-N 2.97Å; L82-V89 HydrophobicContact CD1-CG2 4.06Å; L82-V89 HydrophobicContact CD2-CG2 4.26Å; L82-F118 HydrophobicContact CD1-CE1 3.5Å; L82-F118 HydrophobicContact CD1-CZ 3.58Å
83S85.4Confident89.1Confident79 Ų7974.5 Ų74.555%0.55237%0.37SS*.THydrogen-bonded Turntrans-55.5-33.8-172.553.10000114.2K79 K80K79-S83 VanDerWaalsContact O-CA 3.25Å; K79-S83 WeakPolarHBondContact O-CA 3.36Å; K79-S83 VanDerWaalsContact O-CB 3.25Å; K79-S83 WeakPolarHBondContact O-CB 3.34Å; K79-S83 PolarHBondContact O-N 3.35Å; K80-S83 WeakPolarHBondContact O-CB 3.41Å; K80-S83 PolarHBondContact O-N 2.83Å; K80-S83 PolarHBondContact O-OG 3.42Å
84N77.3Confident89Confident155 Ų15574.1 Ų74.183%0.82937%0.365SS*.THydrogen-bonded Turntrans-101.716.5-177.2-66.7-26.2000113.5L82L82-N84 PolarHBondContact O-N 3.15Å; L82-N84 VanDerWaalsContact O-N 3.1Å
85V80.9Confident88.7Confident41 Ų4171.3 Ų71.325%0.24835%0.35CS..  trans-99.4109.1-171.7-176.20000110.5L27 I58 L82 K87L27-V85 HydrophobicContact CD1-CG1 3.51Å; L27-V85 HydrophobicContact CD1-CG2 4.32Å; L27-V85 HydrophobicContact CD2-CG1 3.68Å; L27-V85 HydrophobicContact CG-CG1 4.23Å; I58-V85 HydrophobicContact CD1-CG2 3.29Å; L82-V85 HydrophobicContact CB-CG2 4.27Å; L82-V85 HydrophobicContact CD2-CG2 4.08Å; L82-V85 WeakPolarHBondContact O-CB 3.43Å; L82-V85 WeakPolarHBondContact O-CG2 3.36Å; L82-V85 PolarHBondContact O-N 2.97Å; V85-K87 WeakPolarHBondContact CG1-O 3.16Å
86K67.2Low88.6Confident210 Ų21066.6 Ų66.691%0.91333%0.326SS*.  trans-83.9-15.6171.7-64.3-175178.6-178.20113.7
87K72.2Confident88.2Confident101 Ų10164 Ų6444%0.43931%0.31SS..SBendtrans-95.8155.3-175-67.1-166.1176.5-168.70111.8L27 V85L27-K87 HydrophobicContact CB-CB 4.3Å; V85-K87 WeakPolarHBondContact CG1-O 3.16Å
88N88.1Confident87.5Confident118 Ų11869.3 Ų69.363%0.63133%0.331SS*.EExtended strand (participates in β ladder)trans-71.7136.9-179.5-65.7-27.3000111.4L27 G28 V90L27-N88 WeakPolarHBondContact CA-O 3.46Å; G28-N88 PolarHBondContact N-O 3.46Å; N88-V90 PolarHBondContact O-N 3.27Å
89V93.6Very high87.4Confident20 Ų2071.3 Ų71.312%0.12135%0.345CS..EExtended strand (participates in β ladder)trans-73.6109.6168.1-178.60000107.6F25 L27 L82 F118 N120 L123F25-V89 HydrophobicContact CD1-CG1 3.96Å; L27-V89 HydrophobicContact CD2-CB 4.38Å; L27-V89 HydrophobicContact CD2-CG2 3.76Å; L82-V89 HydrophobicContact CD1-CG2 4.06Å; L82-V89 HydrophobicContact CD2-CG2 4.26Å; V89-F118 HydrophobicContact CG1-CD2 4.2Å; V89-F118 HydrophobicContact CG1-CE2 3.95Å; V89-F118 HydrophobicContact CG1-CZ 4.26Å; V89-F118 HydrophobicContact CG2-CE1 4.25Å; V89-F118 HydrophobicContact CG2-CZ 4.36Å; V89-N120 PolarHBondContact O-ND2 2.79Å; V89-N120 VanDerWaalsContact O-ND2 3.14Å; V89-L123 HydrophobicContact CG1-CD1 4.18Å
90V94.4Very high87.3Confident4 Ų469.4 Ų69.42%0.02434%0.343CS..EExtended strand (participates in β ladder)trans-96.5-16.4179.3-64.40000112.3L26 G28 V30 I52 N88 V124L26-V90 HydrophobicContact CB-CG2 4.24Å; L26-V90 WeakPolarHBondContact O-CG2 3.48Å; L26-V90 PolarHBondContact O-N 3.4Å; G28-V90 VanDerWaalsContact C-CG1 3.4Å; G28-V90 WeakPolarHBondContact O-CG1 3.2Å; V30-V90 HydrophobicContact CG2-CG1 4.3Å; I52-V90 HydrophobicContact CG2-CB 3.78Å; I52-V90 HydrophobicContact CG2-CG1 4.16Å; I52-V90 HydrophobicContact CG2-CG2 3.93Å; N88-V90 PolarHBondContact O-N 3.27Å; V90-V124 WeakPolarHBondContact O-CG2 3.48Å; V90-V124 PolarHBondContact O-N 3Å; V90-V124 VanDerWaalsContact O-N 3.12Å
91G95.2Very high87.4Confident0 Ų062.3 Ų62.30%031%0.312CS..EExtended strand (participates in β ladder)trans-174.8-172.9178.700000113.4L26 V124L26-G91 PolarHBondContact N-O 3.14Å; L26-G91 PolarHBondContact O-N 3.4Å; G91-V124 CarbonylContact C-O 3.52Å; G91-V124 WeakPolarHBondContact CA-O 3.16Å
92W96Very high87.5Confident0 Ų065 Ų650%033%0.326CS..EExtended strand (participates in β ladder)trans-139.5162170.867.6-74.7000109.7G24 F25 K94 E107 L110 H111 L114 V124 F125 L126G24-W92 CarbonylContact O-C 3.55Å; G24-W92 WeakPolarHBondContact O-CA 3.36Å; G24-W92 VanDerWaalsContact O-CB 3.25Å; G24-W92 WeakPolarHBondContact O-CB 3.46Å; F25-W92 HydrophobicContact CD1-CB 4.01Å; F25-W92 HydrophobicContact CE1-CB 4.21Å; W92-K94 HydrophobicContact CZ3-CB 4.13Å; W92-K94 HydrophobicContact CZ3-CD 4.19Å; W92-E107 HydrophobicContact CH2-CB 3.97Å; W92-E107 HydrophobicContact CH2-CG 3.94Å; W92-E107 HydrophobicContact CZ2-CB 4.34Å; W92-L110 HydrophobicContact CH2-CD2 3.76Å; W92-L110 HydrophobicContact CH2-CG 4.34Å; W92-L110 HydrophobicContact CZ2-CD2 4.3Å; W92-L110 HydrophobicContact CZ2-CG 4.4Å; W92-L110 HydrophobicContact CZ3-CD2 3.95Å; W92-H111 AromaticContact CD1-ND1 4Å; W92-H111 HydrophobicContact CZ2-CB 4.15Å; W92-H111 AromaticContact NE1-CG 3.84Å; W92-H111 AromaticContact NE1-ND1 3.18Å; W92-H111 PolarHBondContact NE1-ND1 3.27Å; W92-H111 VanDerWaalsContact NE1-ND1 3.18Å; W92-L114 HydrophobicContact CD2-CD1 4.1Å; W92-L114 HydrophobicContact CG-CD1 3.97Å; W92-V124 PolarHBondContact N-O 3.12Å; W92-F125 AromaticContact CD2-CD2 3.5Å; W92-F125 HydrophobicContact CD2-CD2 3.5Å; W92-F125 VanDerWaalsContact CD2-CD2 3.5Å; W92-F125 AromaticContact CD2-CE2 3.91Å; W92-F125 HydrophobicContact CD2-CE2 3.91Å; W92-F125 AromaticContact CE2-CD2 3.32Å; W92-F125 AromaticContact CE2-CE2 3.88Å; W92-F125 AromaticContact CE2-CG 3.99Å; W92-F125 AromaticContact CE3-CD2 3.77Å; W92-F125 HydrophobicContact CE3-CD2 3.77Å; W92-F125 AromaticContact CE3-CE2 3.66Å; W92-F125 HydrophobicContact CE3-CE2 3.66Å; W92-F125 HydrophobicContact CG-CD2 4.15Å; W92-F125 AromaticContact CH2-CD2 3.75Å; W92-F125 HydrophobicContact CH2-CD2 3.75Å; W92-F125 AromaticContact CH2-CE2 3.42Å; W92-F125 HydrophobicContact CH2-CE2 3.42Å; W92-F125 VanDerWaalsContact CH2-CE2 3.42Å; W92-F125 HydrophobicContact CH2-CZ 4.01Å; W92-F125 AromaticContact CZ2-CD2 3.46Å; W92-F125 HydrophobicContact CZ2-CD2 3.46Å; W92-F125 VanDerWaalsContact CZ2-CD2 3.46Å; W92-F125 AromaticContact CZ2-CE2 3.66Å; W92-F125 HydrophobicContact CZ2-CE2 3.66Å; W92-F125 HydrophobicContact CZ2-CG 4.02Å; W92-F125 HydrophobicContact CZ2-CZ 4.36Å; W92-F125 AromaticContact CZ3-CD2 3.9Å; W92-F125 HydrophobicContact CZ3-CD2 3.9Å; W92-F125 AromaticContact CZ3-CE2 3.42Å; W92-F125 HydrophobicContact CZ3-CE2 3.42Å; W92-F125 VanDerWaalsContact CZ3-CE2 3.42Å; W92-F125 HydrophobicContact CZ3-CZ 4.28Å; W92-F125 AromaticContact NE1-CD2 3.87Å; W92-F125 CarbonylContact O-C 2.99Å; W92-F125 WeakPolarHBondContact O-CA 3.31Å; W92-L126 PolarHBondContact O-N 3.36Å
93Y95Very high87.6Confident0 Ų064.6 Ų64.60%032%0.323CS..EExtended strand (participates in β ladder)trans-131.5155.4-178.674.1-88.2000111.4L11 F15 E23 G24 L26 Y57 P59 L126 L128L11-Y93 HydrophobicContact CD2-CE1 4.4Å; F15-Y93 HydrophobicContact CE1-CE2 4.21Å; F15-Y93 HydrophobicContact CE2-CE2 4.41Å; F15-Y93 AromaticContact CZ-CE2 3.66Å; F15-Y93 HydrophobicContact CZ-CE2 3.66Å; F15-Y93 AromaticContact CZ-CZ 3.96Å; E23-Y93 WeakPolarHBondContact CA-O 3.38Å; E23-Y93 WeakPolarHBondContact CB-O 3.36Å; G24-Y93 VanDerWaalsContact C-CD1 3.49Å; G24-Y93 VanDerWaalsContact C-CE1 3.49Å; G24-Y93 VanDerWaalsContact CA-CE1 3.46Å; G24-Y93 PolarHBondContact N-O 2.89Å; G24-Y93 WeakPolarHBondContact O-CD1 3.4Å; G24-Y93 PolarHBondContact O-N 3.39Å; L26-Y93 HydrophobicContact CD2-CD1 3.77Å; L26-Y93 HydrophobicContact CD2-CG 4.4Å; L26-Y93 HydrophobicContact CG-CD1 4.2Å; Y57-Y93 HydrophobicContact CD2-CE1 4.22Å; P59-Y93 WeakPolarHBondContact CA-OH 3.32Å; Y93-L126 CarbonylContact C-O 3.51Å; Y93-L126 WeakPolarHBondContact CA-O 3.02Å; Y93-L126 WeakPolarHBondContact CB-O 3.39Å; Y93-L128 HydrophobicContact CD2-CD1 4.27Å
94K93.4Very high88Confident24 Ų2463.6 Ų63.610%0.10431%0.314CS..EExtended strand (participates in β ladder)trans-145.2143.1173.6-172.5158.5-177144.10111.7Q22 E23 Y67 W92 R96 E107 F125 L126 L128Q22-K94 CarbonylContact O-C 3.52Å; Q22-K94 WeakPolarHBondContact O-CA 3.17Å; E23-K94 HydrophobicContact CB-CB 4.38Å; E23-K94 HydrophobicContact CB-CG 4.28Å; E23-K94 IonicContact OE2-NZ 2.63Å; E23-K94 PolarHBondContact OE2-NZ 3.34Å; Y67-K94 PolarHBondContact OH-NZ 3.39Å; W92-K94 HydrophobicContact CZ3-CB 4.13Å; W92-K94 HydrophobicContact CZ3-CD 4.19Å; K94-R96 HydrophobicContact CG-CG 4.34Å; K94-E107 HydrophobicContact CD-CG 4.24Å; K94-E107 WeakPolarHBondContact CD-OE1 3.48Å; K94-F125 HydrophobicContact CB-CE2 3.6Å; K94-F125 HydrophobicContact CB-CZ 3.8Å; K94-L126 PolarHBondContact N-O 3.05Å; K94-L128 PolarHBondContact O-N 3.35Å
95F89.5Confident88.7Confident20 Ų2064.2 Ų64.29%0.08831%0.309CS..EExtended strand (participates in β ladder)trans-109.4127.3178.2-168.7-95.8000110.2Q22 R97 L128 P130 L142Q22-F95 HydrophobicContact CB-CB 4.4Å; Q22-F95 WeakPolarHBondContact O-CB 3.45Å; Q22-F95 PolarHBondContact O-N 2.77Å; F95-R97 HydrophobicContact CD1-CG 4.21Å; F95-R97 HydrophobicContact CE1-CG 3.7Å; F95-L128 WeakPolarHBondContact CA-O 3.25Å; F95-L128 HydrophobicContact CD2-CB 3.79Å; F95-L128 HydrophobicContact CE2-CB 4.46Å; F95-P130 HydrophobicContact CD1-CG 4.38Å; F95-P130 HydrophobicContact CE1-CG 3.43Å; F95-P130 VanDerWaalsContact CE1-CG 3.43Å; F95-P130 HydrophobicContact CE2-CB 4.34Å; F95-P130 VanDerWaalsContact CE2-CD 3.46Å; F95-P130 HydrophobicContact CE2-CG 3.81Å; F95-P130 HydrophobicContact CZ-CB 3.86Å; F95-P130 HydrophobicContact CZ-CG 3.13Å; F95-L142 HydrophobicContact CE2-CD1 4.14Å
96R89.5Confident89.3Confident29 Ų2967.1 Ų67.111%0.10932%0.316CS..  trans-131.3118.4176.5-58.1-164.5-50.8-121.13.9110.5K94 S99 D100 I102 E107 L127 L128 T129 P130K94-R96 HydrophobicContact CG-CG 4.34Å; R96-S99 PolarHBondContact NE-OG 3.12Å; R96-S99 PolarHBondContact NH2-OG 2.79Å; R96-S99 VanDerWaalsContact NH2-OG 3.17Å; R96-D100 PolarHBondContact NH2-O 3.11Å; R96-I102 PolarHBondContact NH1-O 2.86Å; R96-I102 VanDerWaalsContact NH1-O 3.12Å; R96-I102 PolarHBondContact NH2-O 3.18Å; R96-E107 WeakPolarHBondContact CD-OE1 3.35Å; R96-E107 IonicContact CZ-OE1 3.78Å; R96-E107 IonicContact CZ-OE2 2.67Å; R96-E107 IonicContact NH1-OE1 2.78Å; R96-E107 PolarHBondContact NH1-OE1 2.95Å; R96-E107 IonicContact NH1-OE2 3.25Å; R96-E107 PolarHBondContact NH1-OE2 2.87Å; R96-L127 HydrophobicContact CG-CD1 4.11Å; R96-L127 VanDerWaalsContact NH2-CD2 3.33Å; R96-L128 PolarHBondContact N-O 3.09Å; R96-T129 HydrophobicContact CB-CG2 4.36Å; R96-T129 VanDerWaalsContact O-CA 3.25Å; R96-T129 WeakPolarHBondContact O-CA 3.22Å; R96-P130 WeakPolarHBondContact O-CD 3.21Å
97R85.2Confident90.6Very high111 Ų11157.3 Ų57.342%0.41927%0.274SS..THydrogen-bonded Turntrans-73.8139.1176.3-60.3-176.6177.4-153.1-3.6110M18 K19 F95 S99 P130M18-R97 PolarHBondContact O-NH2 2.83Å; K19-R97 VanDerWaalsContact O-CZ 3.3Å; K19-R97 PolarHBondContact O-NH2 3.47Å; F95-R97 HydrophobicContact CD1-CG 4.21Å; F95-R97 HydrophobicContact CE1-CG 3.7Å; R97-S99 VanDerWaalsContact C-N 3.32Å; R97-S99 PolarHBondContact O-N 3.04Å; R97-P130 HydrophobicContact CB-CG 4.34Å; R97-P130 HydrophobicContact CG-CG 3.9Å
98H79.1Confident91.7Very high131 Ų13157.3 Ų57.361%0.60627%0.271SS*.THydrogen-bonded Turntrans52.647171.5-48.7-72.8000113.4P130H98-P130 PolarHBondContact N-O 2.86Å; H98-P130 VanDerWaalsContact N-O 3.08Å
99S88.3Confident92Very high43 Ų4354.5 Ų54.530%0.30126%0.255SS..  trans-131.4149-175.9177.90000110.3R96 R97 T129R96-S99 PolarHBondContact NE-OG 3.12Å; R96-S99 PolarHBondContact NH2-OG 2.79Å; R96-S99 VanDerWaalsContact NH2-OG 3.17Å; R97-S99 VanDerWaalsContact C-N 3.32Å; R97-S99 PolarHBondContact O-N 3.04Å; S99-T129 WeakPolarHBondContact O-CB 3.09Å; S99-T129 WeakPolarHBondContact O-CG2 3.42Å
100D90.8Very high92.1Very high128 Ų12853.6 Ų53.668%0.68425%0.25SC*.  trans-60149.3173.4-59.5-35.9000111.6R96 I102R96-D100 PolarHBondContact NH2-O 3.11Å; D100-I102 HydrophobicContact CB-CG2 4.02Å; D100-I102 PolarHBondContact O-N 3.43Å
101Q92.3Very high92.2Very high19 Ų1953.4 Ų53.49%0.08925%0.249CC..SBendtrans-76.667.7173-84.3-69.9-23.200111.3L127 T129 E143 S145 Y147 R156Q101-L127 PolarHBondContact NE2-O 3.21Å; Q101-T129 HydrophobicContact CG-CG2 4.4Å; Q101-T129 WeakPolarHBondContact CG-OG1 3.08Å; Q101-T129 VanDerWaalsContact NE2-CG2 3.34Å; Q101-T129 PolarHBondContact NE2-OG1 3.25Å; Q101-E143 HydrophobicContact CG-CB 3.91Å; Q101-E143 PolarHBondContact NE2-O 3.48Å; Q101-S145 PolarHBondContact OE1-OG 3.1Å; Q101-Y147 PolarHBondContact O-OH 3.13Å; Q101-R156 PolarHBondContact O-NH2 3.18Å
102I93.1Very high92.2Very high107 Ų10758.2 Ų58.255%0.54927%0.27SS..SBendtrans-146.3147.2175.5-169.1166000111.7R96 D100 T104R96-I102 PolarHBondContact NH1-O 2.86Å; R96-I102 VanDerWaalsContact NH1-O 3.12Å; R96-I102 PolarHBondContact NH2-O 3.18Å; D100-I102 HydrophobicContact CB-CG2 4.02Å; D100-I102 PolarHBondContact O-N 3.43Å; I102-T104 PolarHBondContact O-N 3.33Å
103M93.9Very high92.1Very high16 Ų1659.9 Ų59.98%0.07928%0.279CS..  trans-69.7131.2174.9-62.4-174.267.600111.5E107 R108 H111 F125 Y147 F154M103-E107 WeakPolarHBondContact CA-OE2 3.49Å; M103-E107 HydrophobicContact CE-CB 4.27Å; M103-R108 HydrophobicContact CB-CG 3.78Å; M103-R108 HydrophobicContact CE-CG 4.02Å; M103-R108 HydrophobicContact SD-CG 4.42Å; M103-H111 HydrophobicContact CE-CB 4.21Å; M103-F125 HydrophobicContact CE-CB 4.33Å; M103-F125 HydrophobicContact CE-CD1 3.55Å; M103-F125 HydrophobicContact CE-CE1 4.12Å; M103-F125 HydrophobicContact CE-CG 4.12Å; M103-F125 HydrophobicContact CG-CD1 3.69Å; M103-F125 HydrophobicContact CG-CE1 3.82Å; M103-F125 HydrophobicContact SD-CD1 3.78Å; M103-F125 HydrophobicContact SD-CE1 4.45Å; M103-Y147 HydrophobicContact CG-CD1 4.03Å; M103-Y147 HydrophobicContact CG-CD2 3.96Å; M103-Y147 HydrophobicContact CG-CE1 4.4Å; M103-Y147 HydrophobicContact CG-CE2 4.35Å; M103-Y147 HydrophobicContact CG-CG 3.8Å; M103-Y147 HydrophobicContact SD-CD1 4.1Å; M103-Y147 HydrophobicContact SD-CD2 4.37Å; M103-Y147 HydrophobicContact SD-CG 3.76Å; M103-F154 HydrophobicContact CE-CD1 4Å; M103-F154 HydrophobicContact CE-CE1 3.84Å; M103-F154 HydrophobicContact CE-CG 4.42Å; M103-F154 HydrophobicContact CE-CZ 4.13Å; M103-F154 HydrophobicContact SD-CB 3.89Å; M103-F154 HydrophobicContact SD-CD1 3.39Å; M103-F154 WeakPolarHBondContact SD-CD1 3.43Å; M103-F154 HydrophobicContact SD-CD2 4.16Å; M103-F154 HydrophobicContact SD-CE1 3.89Å; M103-F154 HydrophobicContact SD-CG 3.54Å; M103-F154 VanDerWaalsContact SD-CG 3.54Å; M103-F154 HydrophobicContact SD-CZ 4.46Å
104T93.4Very high92.2Very high58 Ų5859.9 Ų59.936%0.35628%0.279SS..  trans-73.8162.3170.763.80000111I102 R106 E107 R108I102-T104 PolarHBondContact O-N 3.33Å; T104-R106 VanDerWaalsContact C-N 3.31Å; T104-R106 PolarHBondContact O-N 3.5Å; T104-E107 WeakPolarHBondContact CB-OE2 3.42Å; T104-E107 PolarHBondContact N-OE2 2.76Å; T104-E107 PolarHBondContact O-N 2.93Å; T104-E107 WeakPolarHBondContact OG1-CG 3.22Å; T104-E107 PolarHBondContact OG1-N 2.83Å; T104-E107 PolarHBondContact OG1-OE2 3.2Å; T104-R108 WeakPolarHBondContact O-CG 3.26Å; T104-R108 PolarHBondContact O-N 3.03Å
105F92.3Very high92.2Very high168 Ų16859.3 Ų59.374%0.73728%0.276SS*.Hα-helixtrans-54.5-46.2175.4177.4-102.7000112.6E107 R108 L109F105-E107 PolarHBondContact O-N 3.3Å; F105-R108 PolarHBondContact O-N 3.48Å; F105-L109 HydrophobicContact CE1-CD2 4.49Å; F105-L109 PolarHBondContact O-N 3.38Å
106R93.4Very high92.4Very high102 Ų10264.8 Ų64.839%0.38530%0.302SS..Hα-helixtrans-62.3-42.9179.5-175.4-177.8-70.9146.80112S69 T104 R108 L109 L110S69-R106 PolarHBondContact O-NE 2.84Å; S69-R106 PolarHBondContact O-NH2 3.49Å; T104-R106 VanDerWaalsContact C-N 3.31Å; T104-R106 PolarHBondContact O-N 3.5Å; R106-R108 VanDerWaalsContact C-N 3.31Å; R106-R108 PolarHBondContact O-N 3Å; R106-L109 PolarHBondContact O-N 3.23Å; R106-L110 VanDerWaalsContact O-CB 3.31Å; R106-L110 WeakPolarHBondContact O-CB 3.11Å; R106-L110 PolarHBondContact O-N 3.34Å
107E94.8Very high92.6Very high5 Ų566.6 Ų66.62%0.02331%0.312CS..Hα-helixtrans-66.2-35.7178.5-68.4157.6168.900111.7W92 K94 R96 M103 T104 F105 H111 F125W92-E107 HydrophobicContact CH2-CB 3.97Å; W92-E107 HydrophobicContact CH2-CG 3.94Å; W92-E107 HydrophobicContact CZ2-CB 4.34Å; K94-E107 HydrophobicContact CD-CG 4.24Å; K94-E107 WeakPolarHBondContact CD-OE1 3.48Å; R96-E107 WeakPolarHBondContact CD-OE1 3.35Å; R96-E107 IonicContact CZ-OE1 3.78Å; R96-E107 IonicContact CZ-OE2 2.67Å; R96-E107 IonicContact NH1-OE1 2.78Å; R96-E107 PolarHBondContact NH1-OE1 2.95Å; R96-E107 IonicContact NH1-OE2 3.25Å; R96-E107 PolarHBondContact NH1-OE2 2.87Å; M103-E107 WeakPolarHBondContact CA-OE2 3.49Å; M103-E107 HydrophobicContact CE-CB 4.27Å; T104-E107 WeakPolarHBondContact CB-OE2 3.42Å; T104-E107 PolarHBondContact N-OE2 2.76Å; T104-E107 PolarHBondContact O-N 2.93Å; T104-E107 WeakPolarHBondContact OG1-CG 3.22Å; T104-E107 PolarHBondContact OG1-N 2.83Å; T104-E107 PolarHBondContact OG1-OE2 3.2Å; F105-E107 PolarHBondContact O-N 3.3Å; E107-H111 WeakPolarHBondContact O-CB 3.36Å; E107-H111 PolarHBondContact O-N 3.31Å; E107-F125 HydrophobicContact CB-CE1 4.46Å; E107-F125 HydrophobicContact CB-CZ 4.43Å; E107-F125 HydrophobicContact CG-CZ 4.21Å
108R94.3Very high92.9Very high100 Ų10063.6 Ų63.638%0.37730%0.302SS..Hα-helixtrans-64.6-41174.7-67.1174.672.1-172.42.5111.7M103 T104 F105 R106 K112 F154M103-R108 HydrophobicContact CB-CG 3.78Å; M103-R108 HydrophobicContact CE-CG 4.02Å; M103-R108 HydrophobicContact SD-CG 4.42Å; T104-R108 WeakPolarHBondContact O-CG 3.26Å; T104-R108 PolarHBondContact O-N 3.03Å; F105-R108 PolarHBondContact O-N 3.48Å; R106-R108 VanDerWaalsContact C-N 3.31Å; R106-R108 PolarHBondContact O-N 3Å; R108-K112 WeakPolarHBondContact O-CG 3.13Å; R108-K112 PolarHBondContact O-N 2.93Å; R108-F154 HydrophobicContact CB-CE2 3.88Å; R108-F154 HydrophobicContact CB-CZ 4.41Å; R108-F154 HydrophobicContact CG-CD2 3.98Å; R108-F154 HydrophobicContact CG-CE2 3.76Å; R108-F154 HydrophobicContact CG-CZ 4.46Å
109L94.5Very high93.6Very high59 Ų5962.5 Ų62.531%0.30931%0.309SS..Hα-helixtrans-69-48.7177.4-177.156000111.5S70 F105 R106 H111 K112 N113S70-L109 WeakPolarHBondContact O-CD2 3.46Å; F105-L109 HydrophobicContact CE1-CD2 4.49Å; F105-L109 PolarHBondContact O-N 3.38Å; R106-L109 PolarHBondContact O-N 3.23Å; L109-H111 VanDerWaalsContact C-N 3.27Å; L109-H111 PolarHBondContact O-N 3.33Å; L109-K112 PolarHBondContact O-N 3.37Å; L109-K112 VanDerWaalsContact O-N 3.16Å; L109-N113 PolarHBondContact O-N 3.27Å
110L96Very high93.7Very high1 Ų162.2 Ų62.21%0.00530%0.304CS..Hα-helixtrans-57.2-42.6175.3177.660000111.5F66 Y67 V73 W92 R106 K112 N113 L114F66-L110 HydrophobicContact CE2-CD1 4.17Å; F66-L110 HydrophobicContact CE2-CD2 4.08Å; F66-L110 HydrophobicContact CZ-CD2 4.37Å; Y67-L110 HydrophobicContact CD1-CD1 4Å; Y67-L110 HydrophobicContact CD1-CD2 3.61Å; Y67-L110 HydrophobicContact CD1-CG 4.48Å; Y67-L110 HydrophobicContact CD2-CD1 4.26Å; Y67-L110 HydrophobicContact CD2-CD2 3.99Å; Y67-L110 HydrophobicContact CE1-CD2 3.58Å; Y67-L110 HydrophobicContact CE2-CD2 4Å; Y67-L110 HydrophobicContact CG-CD1 3.7Å; Y67-L110 HydrophobicContact CG-CD2 3.82Å; Y67-L110 HydrophobicContact CG-CG 4.39Å; V73-L110 HydrophobicContact CG2-CD1 3.97Å; W92-L110 HydrophobicContact CH2-CD2 3.76Å; W92-L110 HydrophobicContact CH2-CG 4.34Å; W92-L110 HydrophobicContact CZ2-CD2 4.3Å; W92-L110 HydrophobicContact CZ2-CG 4.4Å; W92-L110 HydrophobicContact CZ3-CD2 3.95Å; R106-L110 VanDerWaalsContact O-CB 3.31Å; R106-L110 WeakPolarHBondContact O-CB 3.11Å; R106-L110 PolarHBondContact O-N 3.34Å; L110-K112 PolarHBondContact O-N 3.11Å; L110-N113 PolarHBondContact O-N 3.03Å; L110-L114 HydrophobicContact CD1-CD1 4.14Å; L110-L114 HydrophobicContact CD1-CG 4.05Å; L110-L114 HydrophobicContact CG-CD1 3.95Å; L110-L114 HydrophobicContact CG-CG 4.31Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 VanDerWaalsContact O-CG 3.28Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 2.93Å
111H96Very high93.7Very high0 Ų062 Ų620%030%0.299CS..Hα-helixtrans-58.3-47177.7-173.9102.2000111.5W92 M103 E107 L109 L114 Q115 L123 P149 F154W92-H111 AromaticContact CD1-ND1 4Å; W92-H111 HydrophobicContact CZ2-CB 4.15Å; W92-H111 AromaticContact NE1-CG 3.84Å; W92-H111 AromaticContact NE1-ND1 3.18Å; W92-H111 PolarHBondContact NE1-ND1 3.27Å; W92-H111 VanDerWaalsContact NE1-ND1 3.18Å; M103-H111 HydrophobicContact CE-CB 4.21Å; E107-H111 WeakPolarHBondContact O-CB 3.36Å; E107-H111 PolarHBondContact O-N 3.31Å; L109-H111 VanDerWaalsContact C-N 3.27Å; L109-H111 PolarHBondContact O-N 3.33Å; H111-L114 PolarHBondContact O-N 3.43Å; H111-Q115 PolarHBondContact CD2-OE1 2.88Å; H111-Q115 WeakPolarHBondContact O-CG 3.32Å; H111-Q115 PolarHBondContact O-N 2.92Å; H111-L123 PolarHBondContact CE1-O 3.22Å; H111-L123 PolarHBondContact NE2-O 3.29Å; H111-P149 WeakPolarHBondContact NE2-CD 3.1Å; H111-F154 HydrophobicContact CB-CE1 4.3Å; H111-F154 HydrophobicContact CB-CZ 4.22Å; H111-F154 AromaticContact CD2-CE1 3.53Å; H111-F154 AromaticContact CD2-CZ 3.88Å; H111-F154 AromaticContact CG-CE1 3.77Å; H111-F154 AromaticContact NE2-CE1 3.85Å
112K94.6Very high93.5Very high102 Ų10264.8 Ų64.844%0.44332%0.315SS..Hα-helixtrans-60.4-46.3176.6-71.3-179.2176.5-1710111.9R108 L109 L110 L114 Q115 E116R108-K112 WeakPolarHBondContact O-CG 3.13Å; R108-K112 PolarHBondContact O-N 2.93Å; L109-K112 PolarHBondContact O-N 3.37Å; L109-K112 VanDerWaalsContact O-N 3.16Å; L110-K112 PolarHBondContact O-N 3.11Å; K112-L114 VanDerWaalsContact C-N 3.27Å; K112-L114 PolarHBondContact O-N 3.02Å; K112-Q115 WeakPolarHBondContact O-CB 3.19Å; K112-Q115 PolarHBondContact O-N 2.97Å; K112-Q115 VanDerWaalsContact O-N 3.1Å; K112-E116 PolarHBondContact O-N 3.26Å
113N95.6Very high93.6Very high35 Ų3559.7 Ų59.719%0.18729%0.288CS..Hα-helixtrans-62.5-35.6178.8-65-11.3000111.9G71 V73 L109 L110 H117G71-N113 PolarHBondContact O-ND2 3.33Å; V73-N113 HydrophobicContact CG2-CB 3.71Å; L109-N113 PolarHBondContact O-N 3.27Å; L110-N113 PolarHBondContact O-N 3.03Å; N113-H117 WeakPolarHBondContact O-CB 3.39Å; N113-H117 PolarHBondContact O-N 3.1Å
114L95.6Very high93.6Very high0 Ų059 Ų590%029%0.285CS..Hα-helixtrans-70.9-36.6173.7-69.1172.1000112.6F25 F66 V73 L78 W92 L110 H111 K112 E116 H117 F118 L123F25-L114 HydrophobicContact CE1-CD1 4.34Å; F25-L114 HydrophobicContact CE1-CD2 4.24Å; F25-L114 HydrophobicContact CZ-CD2 4.49Å; F66-L114 HydrophobicContact CD2-CD2 4.43Å; F66-L114 HydrophobicContact CE2-CD1 4.22Å; F66-L114 HydrophobicContact CE2-CD2 4.3Å; V73-L114 HydrophobicContact CG1-CD2 4.48Å; V73-L114 HydrophobicContact CG2-CD2 3.79Å; V73-L114 HydrophobicContact CG2-CG 4.17Å; L78-L114 HydrophobicContact CD1-CD2 3.95Å; W92-L114 HydrophobicContact CD2-CD1 4.1Å; W92-L114 HydrophobicContact CG-CD1 3.97Å; L110-L114 HydrophobicContact CD1-CD1 4.14Å; L110-L114 HydrophobicContact CD1-CG 4.05Å; L110-L114 HydrophobicContact CG-CD1 3.95Å; L110-L114 HydrophobicContact CG-CG 4.31Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 VanDerWaalsContact O-CG 3.28Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 2.93Å; H111-L114 PolarHBondContact O-N 3.43Å; K112-L114 VanDerWaalsContact C-N 3.27Å; K112-L114 PolarHBondContact O-N 3.02Å; L114-E116 VanDerWaalsContact C-N 3.32Å; L114-H117 PolarHBondContact O-N 3.24Å; L114-F118 HydrophobicContact CB-CD2 4.27Å; L114-F118 HydrophobicContact CB-CE2 4.25Å; L114-F118 HydrophobicContact CD2-CE2 3.86Å; L114-F118 HydrophobicContact CD2-CZ 4.46Å; L114-F118 WeakPolarHBondContact O-CB 3.44Å; L114-F118 WeakPolarHBondContact O-CD2 3.33Å; L114-F118 PolarHBondContact O-N 2.97Å; L114-L123 HydrophobicContact CB-CD2 3.78Å
115Q94.6Very high93.7Very high12 Ų1256.2 Ų56.26%0.05627%0.268CS..Hα-helixtrans-60.9-43.3174.1-71.3-178.9-75.500111.3H111 K112 S119 N120 Q121 L123H111-Q115 PolarHBondContact CD2-OE1 2.88Å; H111-Q115 WeakPolarHBondContact O-CG 3.32Å; H111-Q115 PolarHBondContact O-N 2.92Å; K112-Q115 WeakPolarHBondContact O-CB 3.19Å; K112-Q115 PolarHBondContact O-N 2.97Å; K112-Q115 VanDerWaalsContact O-N 3.1Å; Q115-S119 CarbonylContact O-C 3.5Å; Q115-S119 WeakPolarHBondContact O-CA 3.25Å; Q115-S119 PolarHBondContact O-N 2.8Å; Q115-N120 WeakPolarHBondContact CB-O 3.47Å; Q115-N120 WeakPolarHBondContact CG-O 3.46Å; Q115-N120 PolarHBondContact O-N 3.25Å; Q115-Q121 PolarHBondContact NE2-O 3.26Å; Q115-L123 HydrophobicContact CG-CB 3.85Å; Q115-L123 HydrophobicContact CG-CD2 4.19Å
116E93.6Very high93.9Very high134 Ų13448.7 Ų48.763%0.62624%0.235SC*.Hα-helixtrans-63.8-50.8175.6-70.1174.5-168.400110.8K112 L114 F118 S119K112-E116 PolarHBondContact O-N 3.26Å; L114-E116 VanDerWaalsContact C-N 3.32Å; E116-F118 PolarHBondContact O-N 3.44Å; E116-S119 PolarHBondContact O-N 3.16Å; E116-S119 VanDerWaalsContact O-N 3.11Å
117H93.5Very high93.9Very high68 Ų6843.9 Ų43.932%0.31522%0.217SC..Hα-helixtrans-59.3-43-179.6-177.577.8000113.1E75 L78 N113 L114 S119E75-H117 IonicContact OE1-ND1 3.94Å; L78-H117 VanDerWaalsContact CD1-CD2 3.43Å; L78-H117 WeakPolarHBondContact CD1-CD2 3.25Å; N113-H117 WeakPolarHBondContact O-CB 3.39Å; N113-H117 PolarHBondContact O-N 3.1Å; L114-H117 PolarHBondContact O-N 3.24Å; H117-S119 VanDerWaalsContact C-N 3.34Å
118F92.2Very high93.8Very high47 Ų4744.3 Ų44.321%0.20622%0.22CC..THydrogen-bonded Turntrans-86.9-2.2178.7-63.6-53.7000114F25 L78 L82 V89 L114 E116 N120 L123F25-F118 HydrophobicContact CD1-CE2 4.34Å; F25-F118 HydrophobicContact CD1-CZ 4.43Å; F25-F118 AromaticContact CE1-CE2 3.94Å; F25-F118 HydrophobicContact CE1-CE2 3.94Å; F25-F118 HydrophobicContact CE1-CZ 4.06Å; L78-F118 HydrophobicContact CD1-CZ 4.13Å; L82-F118 HydrophobicContact CD1-CE1 3.5Å; L82-F118 HydrophobicContact CD1-CZ 3.58Å; V89-F118 HydrophobicContact CG1-CD2 4.2Å; V89-F118 HydrophobicContact CG1-CE2 3.95Å; V89-F118 HydrophobicContact CG1-CZ 4.26Å; V89-F118 HydrophobicContact CG2-CE1 4.25Å; V89-F118 HydrophobicContact CG2-CZ 4.36Å; L114-F118 HydrophobicContact CB-CD2 4.27Å; L114-F118 HydrophobicContact CB-CE2 4.25Å; L114-F118 HydrophobicContact CD2-CE2 3.86Å; L114-F118 HydrophobicContact CD2-CZ 4.46Å; L114-F118 WeakPolarHBondContact O-CB 3.44Å; L114-F118 WeakPolarHBondContact O-CD2 3.33Å; L114-F118 PolarHBondContact O-N 2.97Å; E116-F118 PolarHBondContact O-N 3.44Å; F118-N120 HydrophobicContact CB-CB 4.17Å; F118-N120 PolarHBondContact O-N 2.94Å; F118-N120 VanDerWaalsContact O-N 3.15Å; F118-L123 HydrophobicContact CD2-CD1 4.47Å
119S92.5Very high93.7Very high109 Ų10939.7 Ų39.776%0.76220%0.202SC*.THydrogen-bonded Turntrans5035.4-170.8-59.80000112.9Q115 E116 H117Q115-S119 CarbonylContact O-C 3.5Å; Q115-S119 WeakPolarHBondContact O-CA 3.25Å; Q115-S119 PolarHBondContact O-N 2.8Å; E116-S119 PolarHBondContact O-N 3.16Å; E116-S119 VanDerWaalsContact O-N 3.11Å; H117-S119 VanDerWaalsContact C-N 3.34Å
120N91.3Very high93.5Very high36 Ų3638.2 Ų38.219%0.19320%0.197CC..  trans-120.698.1-175.9-177.4-1.2000110.4V89 Q115 F118 D122 L123V89-N120 PolarHBondContact O-ND2 2.79Å; V89-N120 VanDerWaalsContact O-ND2 3.14Å; Q115-N120 WeakPolarHBondContact CB-O 3.47Å; Q115-N120 WeakPolarHBondContact CG-O 3.46Å; Q115-N120 PolarHBondContact O-N 3.25Å; F118-N120 HydrophobicContact CB-CB 4.17Å; F118-N120 PolarHBondContact O-N 2.94Å; F118-N120 VanDerWaalsContact O-N 3.15Å; N120-D122 PolarHBondContact O-N 3.01Å; N120-D122 PolarHBondContact OD1-N 2.81Å; N120-L123 WeakPolarHBondContact O-CB 3.02Å; N120-L123 PolarHBondContact O-N 3.2Å; N120-L123 PolarHBondContact OD1-N 3.4Å
121Q89.7Confident93.1Very high124 Ų12439.2 Ų39.258%0.57920%0.204SC*.THydrogen-bonded Turntrans-73.5-16.3179.3-63-59.9-36.800113.3Q115Q115-Q121 PolarHBondContact NE2-O 3.26Å
122D89.4Confident92.8Very high78 Ų7842.6 Ų42.642%0.41722%0.221SC..THydrogen-bonded Turntrans-96.59.6179.6-71.6-55.5000113.4N120 V124 K148N120-D122 PolarHBondContact O-N 3.01Å; N120-D122 PolarHBondContact OD1-N 2.81Å; D122-V124 PolarHBondContact O-N 2.85Å; D122-K148 WeakPolarHBondContact OD1-CE 3.28Å; D122-K148 IonicContact OD1-NZ 3.68Å; D122-K148 PolarHBondContact OD1-NZ 2.88Å
123L93.9Very high92.5Very high0 Ų041.6 Ų41.60%022%0.22CC..  trans-51.4135177.7-163.975.1000110.6V89 H111 L114 Q115 F118 N120 P149V89-L123 HydrophobicContact CG1-CD1 4.18Å; H111-L123 PolarHBondContact CE1-O 3.22Å; H111-L123 PolarHBondContact NE2-O 3.29Å; L114-L123 HydrophobicContact CB-CD2 3.78Å; Q115-L123 HydrophobicContact CG-CB 3.85Å; Q115-L123 HydrophobicContact CG-CD2 4.19Å; F118-L123 HydrophobicContact CD2-CD1 4.47Å; N120-L123 WeakPolarHBondContact O-CB 3.02Å; N120-L123 PolarHBondContact O-N 3.2Å; N120-L123 PolarHBondContact OD1-N 3.4Å; L123-P149 WeakPolarHBondContact O-CD 3.5Å
124V94.9Very high92.3Very high1 Ų142 Ų421%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-108.1155177-62.10000112.4M1 I52 V90 G91 W92 D122 L146 Y147 K148M1-V124 HydrophobicContact CE-CG2 3.53Å; M1-V124 HydrophobicContact SD-CG2 4.37Å; I52-V124 HydrophobicContact CD1-CG1 3.47Å; I52-V124 VanDerWaalsContact CD1-CG1 3.47Å; I52-V124 HydrophobicContact CD1-CG2 4.41Å; V90-V124 WeakPolarHBondContact O-CG2 3.48Å; V90-V124 PolarHBondContact O-N 3Å; V90-V124 VanDerWaalsContact O-N 3.12Å; G91-V124 CarbonylContact C-O 3.52Å; G91-V124 WeakPolarHBondContact CA-O 3.16Å; W92-V124 PolarHBondContact N-O 3.12Å; D122-V124 PolarHBondContact O-N 2.85Å; V124-L146 HydrophobicContact CB-CD1 3.88Å; V124-L146 HydrophobicContact CB-CD2 4.34Å; V124-L146 HydrophobicContact CB-CG 4.1Å; V124-L146 HydrophobicContact CG1-CD2 4.34Å; V124-L146 HydrophobicContact CG2-CD1 3.8Å; V124-L146 HydrophobicContact CG2-CG 4.43Å; V124-Y147 CarbonylContact C-O 3.58Å; V124-Y147 WeakPolarHBondContact CA-O 3.5Å; V124-K148 HydrophobicContact CG1-CB 4.26Å; V124-K148 HydrophobicContact CG1-CG 4.28Å
125F96.2Very high92Very high0 Ų051.6 Ų51.60%027%0.268CS..EExtended strand (participates in β ladder)trans-120.2116.7175.1172.7-121.8000111W92 K94 M103 E107 L127 L146 Y147W92-F125 AromaticContact CD2-CD2 3.5Å; W92-F125 HydrophobicContact CD2-CD2 3.5Å; W92-F125 VanDerWaalsContact CD2-CD2 3.5Å; W92-F125 AromaticContact CD2-CE2 3.91Å; W92-F125 HydrophobicContact CD2-CE2 3.91Å; W92-F125 AromaticContact CE2-CD2 3.32Å; W92-F125 AromaticContact CE2-CE2 3.88Å; W92-F125 AromaticContact CE2-CG 3.99Å; W92-F125 AromaticContact CE3-CD2 3.77Å; W92-F125 HydrophobicContact CE3-CD2 3.77Å; W92-F125 AromaticContact CE3-CE2 3.66Å; W92-F125 HydrophobicContact CE3-CE2 3.66Å; W92-F125 HydrophobicContact CG-CD2 4.15Å; W92-F125 AromaticContact CH2-CD2 3.75Å; W92-F125 HydrophobicContact CH2-CD2 3.75Å; W92-F125 AromaticContact CH2-CE2 3.42Å; W92-F125 HydrophobicContact CH2-CE2 3.42Å; W92-F125 VanDerWaalsContact CH2-CE2 3.42Å; W92-F125 HydrophobicContact CH2-CZ 4.01Å; W92-F125 AromaticContact CZ2-CD2 3.46Å; W92-F125 HydrophobicContact CZ2-CD2 3.46Å; W92-F125 VanDerWaalsContact CZ2-CD2 3.46Å; W92-F125 AromaticContact CZ2-CE2 3.66Å; W92-F125 HydrophobicContact CZ2-CE2 3.66Å; W92-F125 HydrophobicContact CZ2-CG 4.02Å; W92-F125 HydrophobicContact CZ2-CZ 4.36Å; W92-F125 AromaticContact CZ3-CD2 3.9Å; W92-F125 HydrophobicContact CZ3-CD2 3.9Å; W92-F125 AromaticContact CZ3-CE2 3.42Å; W92-F125 HydrophobicContact CZ3-CE2 3.42Å; W92-F125 VanDerWaalsContact CZ3-CE2 3.42Å; W92-F125 HydrophobicContact CZ3-CZ 4.28Å; W92-F125 AromaticContact NE1-CD2 3.87Å; W92-F125 CarbonylContact O-C 2.99Å; W92-F125 WeakPolarHBondContact O-CA 3.31Å; K94-F125 HydrophobicContact CB-CE2 3.6Å; K94-F125 HydrophobicContact CB-CZ 3.8Å; M103-F125 HydrophobicContact CE-CB 4.33Å; M103-F125 HydrophobicContact CE-CD1 3.55Å; M103-F125 HydrophobicContact CE-CE1 4.12Å; M103-F125 HydrophobicContact CE-CG 4.12Å; M103-F125 HydrophobicContact CG-CD1 3.69Å; M103-F125 HydrophobicContact CG-CE1 3.82Å; M103-F125 HydrophobicContact SD-CD1 3.78Å; M103-F125 HydrophobicContact SD-CE1 4.45Å; E107-F125 HydrophobicContact CB-CE1 4.46Å; E107-F125 HydrophobicContact CB-CZ 4.43Å; E107-F125 HydrophobicContact CG-CZ 4.21Å; F125-L127 HydrophobicContact CD1-CB 4.5Å; F125-L127 HydrophobicContact CE1-CB 3.86Å; F125-L127 HydrophobicContact CE1-CD1 4.47Å; F125-L127 HydrophobicContact CZ-CB 4.16Å; F125-L127 HydrophobicContact CZ-CD1 4.25Å; F125-L146 CarbonylContact O-C 3.5Å; F125-L146 WeakPolarHBondContact O-CA 3.45Å; F125-Y147 AromaticContact CD1-CD2 4Å; F125-Y147 HydrophobicContact CD1-CD2 4Å; F125-Y147 HydrophobicContact CD1-CG 4.48Å; F125-Y147 PolarHBondContact N-O 3.47Å; F125-Y147 PolarHBondContact O-N 2.84Å
126L95.1Very high91.8Very high10 Ų1055.3 Ų55.35%0.05230%0.295CS..EExtended strand (participates in β ladder)trans-94.7113.8175.417964000110.3L26 W92 Y93 K94 L128 H144 L146 L159L26-L126 HydrophobicContact CD1-CB 3.93Å; L26-L126 HydrophobicContact CD1-CD2 4.42Å; W92-L126 PolarHBondContact O-N 3.36Å; Y93-L126 CarbonylContact C-O 3.51Å; Y93-L126 WeakPolarHBondContact CA-O 3.02Å; Y93-L126 WeakPolarHBondContact CB-O 3.39Å; K94-L126 PolarHBondContact N-O 3.05Å; L126-L128 HydrophobicContact CD2-CD1 3.94Å; L126-L128 HydrophobicContact CG-CD1 3.77Å; L126-L128 HydrophobicContact CG-CG 4.3Å; L126-H144 HydrophobicContact CD1-CB 4.45Å; L126-L146 HydrophobicContact CB-CD1 3.88Å; L126-L146 HydrophobicContact CD1-CD1 4.21Å; L126-L159 HydrophobicContact CD1-CD2 4.36Å
127L94.3Very high91.6Very high0 Ų052.1 Ų52.10%029%0.287CS..EExtended strand (participates in β ladder)trans-100.2125.9175176.662000110.1R96 Q101 F125 T129 H144 S145 Y147R96-L127 HydrophobicContact CG-CD1 4.11Å; R96-L127 VanDerWaalsContact NH2-CD2 3.33Å; Q101-L127 PolarHBondContact NE2-O 3.21Å; F125-L127 HydrophobicContact CD1-CB 4.5Å; F125-L127 HydrophobicContact CE1-CB 3.86Å; F125-L127 HydrophobicContact CE1-CD1 4.47Å; F125-L127 HydrophobicContact CZ-CB 4.16Å; F125-L127 HydrophobicContact CZ-CD1 4.25Å; L127-T129 HydrophobicContact CD1-CG2 4.21Å; L127-T129 HydrophobicContact CD2-CG2 4.42Å; L127-T129 HydrophobicContact CG-CG2 4.13Å; L127-H144 CarbonylContact O-C 3.59Å; L127-H144 WeakPolarHBondContact O-CA 3.21Å; L127-S145 PolarHBondContact N-O 3.03Å; L127-S145 PolarHBondContact O-N 3.46Å; L127-Y147 HydrophobicContact CB-CD2 4.34Å; L127-Y147 HydrophobicContact CB-CE2 3.98Å; L127-Y147 HydrophobicContact CD2-CE2 4.18Å
128L92.4Very high91.6Very high15 Ų1552.9 Ų52.98%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-116.9130.5174.8-60.5104.1000110.2Y93 K94 F95 R96 L126 L142 E143 H144Y93-L128 HydrophobicContact CD2-CD1 4.27Å; K94-L128 PolarHBondContact O-N 3.35Å; F95-L128 WeakPolarHBondContact CA-O 3.25Å; F95-L128 HydrophobicContact CD2-CB 3.79Å; F95-L128 HydrophobicContact CE2-CB 4.46Å; R96-L128 PolarHBondContact N-O 3.09Å; L126-L128 HydrophobicContact CD2-CD1 3.94Å; L126-L128 HydrophobicContact CG-CD1 3.77Å; L126-L128 HydrophobicContact CG-CG 4.3Å; L128-L142 HydrophobicContact CB-CD1 4.23Å; L128-L142 HydrophobicContact CD2-CD1 4.49Å; L128-L142 HydrophobicContact CD2-CD2 4.42Å; L128-E143 WeakPolarHBondContact CA-O 3.44Å; L128-H144 HydrophobicContact CD2-CB 4.36Å; L128-H144 HydrophobicContact CG-CB 4.23Å
129T91.8Very high91.5Very high2 Ų253.8 Ų53.81%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-130.699.1-179.860.90000110.9R96 S99 Q101 L127 E143R96-T129 HydrophobicContact CB-CG2 4.36Å; R96-T129 VanDerWaalsContact O-CA 3.25Å; R96-T129 WeakPolarHBondContact O-CA 3.22Å; S99-T129 WeakPolarHBondContact O-CB 3.09Å; S99-T129 WeakPolarHBondContact O-CG2 3.42Å; Q101-T129 HydrophobicContact CG-CG2 4.4Å; Q101-T129 WeakPolarHBondContact CG-OG1 3.08Å; Q101-T129 VanDerWaalsContact NE2-CG2 3.34Å; Q101-T129 PolarHBondContact NE2-OG1 3.25Å; L127-T129 HydrophobicContact CD1-CG2 4.21Å; L127-T129 HydrophobicContact CD2-CG2 4.42Å; L127-T129 HydrophobicContact CG-CG2 4.13Å; T129-E143 PolarHBondContact N-O 3.4Å; T129-E143 PolarHBondContact O-N 2.63Å; T129-E143 VanDerWaalsContact O-N 3.08Å
130P89.8Confident91.2Very high29 Ų2954.8 Ų54.819%0.18830%0.302CS..EExtended strand (participates in β ladder)trans-73.1149.4168.838.2-43.9000110F95 R96 R97 H98 R141 L142F95-P130 HydrophobicContact CD1-CG 4.38Å; F95-P130 HydrophobicContact CE1-CG 3.43Å; F95-P130 VanDerWaalsContact CE1-CG 3.43Å; F95-P130 HydrophobicContact CE2-CB 4.34Å; F95-P130 VanDerWaalsContact CE2-CD 3.46Å; F95-P130 HydrophobicContact CE2-CG 3.81Å; F95-P130 HydrophobicContact CZ-CB 3.86Å; F95-P130 HydrophobicContact CZ-CG 3.13Å; R96-P130 WeakPolarHBondContact O-CD 3.21Å; R97-P130 HydrophobicContact CB-CG 4.34Å; R97-P130 HydrophobicContact CG-CG 3.9Å; H98-P130 PolarHBondContact N-O 2.86Å; H98-P130 VanDerWaalsContact N-O 3.08Å; P130-R141 CarbonylContact C-O 3.58Å; P130-R141 VanDerWaalsContact CA-O 3.27Å; P130-R141 WeakPolarHBondContact CA-O 3.11Å; P130-L142 HydrophobicContact CB-CD1 4.21Å
131S88.9Confident91.1Very high22 Ų2258.7 Ų58.715%0.15431%0.314CS..EExtended strand (participates in β ladder)trans-146.8148.6171.555.60000109.7R141S131-R141 PolarHBondContact N-O 2.76Å; S131-R141 PolarHBondContact O-N 3.5Å
132I89.1Confident91.1Very high70 Ų7055.4 Ų55.436%0.35930%0.3SS..EExtended strand (participates in β ladder)trans-90.4129.9166.7-55.5179.3000106.4T134 C137I132-T134 WeakPolarHBondContact CG2-O 3.34Å; I132-C137 HydrophobicContact CG2-CB 4.2Å
133I88.8Confident91.2Very high82 Ų8255 Ų5542%0.42130%0.296SS..  trans-95.2-33.1-174.9-56.1-56.2000111.5T139 R141I133-T139 HydrophobicContact CB-CG2 4.36Å; I133-T139 PolarHBondContact N-O 2.86Å; I133-R141 HydrophobicContact CD1-CB 3.75Å; I133-R141 VanDerWaalsContact CD1-CZ 3.41Å; I133-R141 HydrophobicContact CG1-CB 3.66Å
134T89.8Confident91.1Very high43 Ų4359.2 Ų59.226%0.26432%0.315SS..SBendtrans-106.6143.6-178.556.70000111.2I132 S136 C137 S138 T139I132-T134 WeakPolarHBondContact CG2-O 3.34Å; T134-S136 PolarHBondContact O-N 2.91Å; T134-S136 PolarHBondContact OG1-OG 3.47Å; T134-C137 PolarHBondContact O-N 3.29Å; T134-S138 PolarHBondContact OG1-N 2.72Å; T134-S138 VanDerWaalsContact OG1-N 3.11Å; T134-S138 PolarHBondContact OG1-OG 2.72Å; T134-T139 PolarHBondContact OG1-N 2.91Å; T134-T139 VanDerWaalsContact OG1-N 3.07Å
135E89.7Confident91Very high202 Ų20260 Ų6094%0.94432%0.321SS*.THydrogen-bonded Turntrans-60-33.7176.1-63.5-178.2175.900112.1C137E135-C137 PolarHBondContact O-N 3.29Å; E135-C137 VanDerWaalsContact O-N 3.14Å
136S91.4Very high90.9Very high89 Ų8960.1 Ų60.162%0.62232%0.322SS*.THydrogen-bonded Turntrans-68.6-4.4175.557.90000114.2T134 S138T134-S136 PolarHBondContact O-N 2.91Å; T134-S136 PolarHBondContact OG1-OG 3.47Å; S136-S138 PolarHBondContact O-N 3.05Å; S136-S138 VanDerWaalsContact O-N 3.12Å; S136-S138 PolarHBondContact OG-OG 3.27Å
137C88.6Confident90.8Very high67 Ų6760.2 Ų60.245%0.45332%0.321SS..SBendtrans56.523.4-173.8-57.50000113.9I132 T134 E135 H140I132-C137 HydrophobicContact CG2-CB 4.2Å; T134-C137 PolarHBondContact O-N 3.29Å; E135-C137 PolarHBondContact O-N 3.29Å; E135-C137 VanDerWaalsContact O-N 3.14Å; C137-H140 PolarHBondContact O-NE2 2.86Å
138S92.9Very high90.7Very high84 Ų8462.8 Ų62.859%0.58733%0.333SS*.  trans-82.1-16.8178.4630000113.3T134 S136T134-S138 PolarHBondContact OG1-N 2.72Å; T134-S138 VanDerWaalsContact OG1-N 3.11Å; T134-S138 PolarHBondContact OG1-OG 2.72Å; S136-S138 PolarHBondContact O-N 3.05Å; S136-S138 VanDerWaalsContact O-N 3.12Å; S136-S138 PolarHBondContact OG-OG 3.27Å
139T90.1Very high90.5Very high67 Ų6763.2 Ų63.241%0.41134%0.336SS..  trans-132.5120.8-176.8-54.10000110.7I133 T134I133-T139 HydrophobicContact CB-CG2 4.36Å; I133-T139 PolarHBondContact N-O 2.86Å; T134-T139 PolarHBondContact OG1-N 2.91Å; T134-T139 VanDerWaalsContact OG1-N 3.07Å
140H88.1Confident90.2Very high130 Ų13068.5 Ų68.560%0.60236%0.361SS*.EExtended strand (participates in β ladder)trans-109.7147.1176.7-61.9-94000110C137C137-H140 PolarHBondContact O-NE2 2.86Å
141R88.9Confident89.8Confident118 Ų11877 Ų7745%0.44539%0.394SS..EExtended strand (participates in β ladder)trans-127.2137.3174-177173.566.4-164.73.1109P130 S131 I133 E143P130-R141 CarbonylContact C-O 3.58Å; P130-R141 VanDerWaalsContact CA-O 3.27Å; P130-R141 WeakPolarHBondContact CA-O 3.11Å; S131-R141 PolarHBondContact N-O 2.76Å; S131-R141 PolarHBondContact O-N 3.5Å; I133-R141 HydrophobicContact CD1-CB 3.75Å; I133-R141 VanDerWaalsContact CD1-CZ 3.41Å; I133-R141 HydrophobicContact CG1-CB 3.66Å; R141-E143 HydrophobicContact CG-CG 3.95Å; R141-E143 IonicContact CZ-OE1 3.57Å; R141-E143 VanDerWaalsContact CZ-OE1 3.25Å; R141-E143 IonicContact NE-OE1 2.83Å; R141-E143 PolarHBondContact NE-OE1 2.97Å; R141-E143 VanDerWaalsContact NE-OE1 3.15Å; R141-E143 IonicContact NH1-OE1 3.15Å; R141-E143 IonicContact NH2-OE1 3.78Å
142L89.3Confident89.3Confident55 Ų5578.7 Ų78.729%0.28842%0.416SS..EExtended strand (participates in β ladder)trans-117.9106169.1176.662000108.5F12 F95 L128 P130F12-L142 HydrophobicContact CD2-CD2 3.53Å; F12-L142 HydrophobicContact CE2-CD2 3.69Å; F95-L142 HydrophobicContact CE2-CD1 4.14Å; L128-L142 HydrophobicContact CB-CD1 4.23Å; L128-L142 HydrophobicContact CD2-CD1 4.49Å; L128-L142 HydrophobicContact CD2-CD2 4.42Å; P130-L142 HydrophobicContact CB-CD1 4.21Å
143E91.2Very high89.1Confident70 Ų7080.2 Ų80.233%0.32742%0.424SS..EExtended strand (participates in β ladder)trans-90.5145.5171.9-63.1-179.7151.600109.4Q101 L128 T129 R141Q101-E143 HydrophobicContact CG-CB 3.91Å; Q101-E143 PolarHBondContact NE2-O 3.48Å; L128-E143 WeakPolarHBondContact CA-O 3.44Å; T129-E143 PolarHBondContact N-O 3.4Å; T129-E143 PolarHBondContact O-N 2.63Å; T129-E143 VanDerWaalsContact O-N 3.08Å; R141-E143 HydrophobicContact CG-CG 3.95Å; R141-E143 IonicContact CZ-OE1 3.57Å; R141-E143 VanDerWaalsContact CZ-OE1 3.25Å; R141-E143 IonicContact NE-OE1 2.83Å; R141-E143 PolarHBondContact NE-OE1 2.97Å; R141-E143 VanDerWaalsContact NE-OE1 3.15Å; R141-E143 IonicContact NH1-OE1 3.15Å; R141-E143 IonicContact NH2-OE1 3.78Å
144H91.3Very high89.1Confident87 Ų8777.9 Ų77.940%0.40341%0.411SS..EExtended strand (participates in β ladder)trans-140.3147.8175.758.6-88.4000110.5L126 L127 L128L126-H144 HydrophobicContact CD1-CB 4.45Å; L127-H144 CarbonylContact O-C 3.59Å; L127-H144 WeakPolarHBondContact O-CA 3.21Å; L128-H144 HydrophobicContact CD2-CB 4.36Å; L128-H144 HydrophobicContact CG-CB 4.23Å
145S92.9Very high89.2Confident19 Ų1979.5 Ų79.513%0.13342%0.415CS..EExtended strand (participates in β ladder)trans-147139.1173.8-70.10000110.4Q101 L127Q101-S145 PolarHBondContact OE1-OG 3.1Å; L127-S145 PolarHBondContact N-O 3.03Å; L127-S145 PolarHBondContact O-N 3.46Å
146L93.8Very high89.3Confident2 Ų277.4 Ų77.41%0.0140%0.399CS..EExtended strand (participates in β ladder)trans-100.3128.1175.3-169.377.1000109.6M1 V124 F125 L126 R156 V157M1-L146 HydrophobicContact CB-CD2 3.67Å; M1-L146 HydrophobicContact CE-CD1 4.47Å; M1-L146 HydrophobicContact CE-CD2 4.35Å; M1-L146 HydrophobicContact CG-CD2 4.04Å; M1-L146 HydrophobicContact SD-CD1 3.7Å; M1-L146 HydrophobicContact SD-CD2 3.17Å; M1-L146 WeakPolarHBondContact SD-CD2 3.5Å; M1-L146 HydrophobicContact SD-CG 4.06Å; V124-L146 HydrophobicContact CB-CD1 3.88Å; V124-L146 HydrophobicContact CB-CD2 4.34Å; V124-L146 HydrophobicContact CB-CG 4.1Å; V124-L146 HydrophobicContact CG1-CD2 4.34Å; V124-L146 HydrophobicContact CG2-CD1 3.8Å; V124-L146 HydrophobicContact CG2-CG 4.43Å; F125-L146 CarbonylContact O-C 3.5Å; F125-L146 WeakPolarHBondContact O-CA 3.45Å; L126-L146 HydrophobicContact CB-CD1 3.88Å; L126-L146 HydrophobicContact CD1-CD1 4.21Å; L146-R156 CarbonylContact O-C 3.53Å; L146-R156 VanDerWaalsContact O-CA 3.26Å; L146-R156 WeakPolarHBondContact O-CA 3.15Å; L146-V157 HydrophobicContact CD2-CB 4.12Å; L146-V157 HydrophobicContact CD2-CG1 4.23Å; L146-V157 PolarHBondContact O-N 2.84Å
147Y94.6Very high89.2Confident12 Ų1275.3 Ų75.35%0.04738%0.382CS..EExtended strand (participates in β ladder)trans-110.2137.8179.2-65.6-89.1000110.6Q101 M103 V124 F125 L127 F154 H155 R156Q101-Y147 PolarHBondContact O-OH 3.13Å; M103-Y147 HydrophobicContact CG-CD1 4.03Å; M103-Y147 HydrophobicContact CG-CD2 3.96Å; M103-Y147 HydrophobicContact CG-CE1 4.4Å; M103-Y147 HydrophobicContact CG-CE2 4.35Å; M103-Y147 HydrophobicContact CG-CG 3.8Å; M103-Y147 HydrophobicContact SD-CD1 4.1Å; M103-Y147 HydrophobicContact SD-CD2 4.37Å; M103-Y147 HydrophobicContact SD-CG 3.76Å; V124-Y147 CarbonylContact C-O 3.58Å; V124-Y147 WeakPolarHBondContact CA-O 3.5Å; F125-Y147 AromaticContact CD1-CD2 4Å; F125-Y147 HydrophobicContact CD1-CD2 4Å; F125-Y147 HydrophobicContact CD1-CG 4.48Å; F125-Y147 PolarHBondContact N-O 3.47Å; F125-Y147 PolarHBondContact O-N 2.84Å; L127-Y147 HydrophobicContact CB-CD2 4.34Å; L127-Y147 HydrophobicContact CB-CE2 3.98Å; L127-Y147 HydrophobicContact CD2-CE2 4.18Å; Y147-F154 HydrophobicContact CD1-CB 4.39Å; Y147-H155 WeakPolarHBondContact CA-O 3.24Å; Y147-R156 HydrophobicContact CD1-CG 4.17Å; Y147-R156 HydrophobicContact CE1-CG 3.59Å; Y147-R156 PolarHBondContact OH-NE 3.47Å
148K91.5Very high89.2Confident54 Ų5476.9 Ų76.924%0.23539%0.392CS..EExtended strand (participates in β ladder)trans-129.7137.3171.5-170.6-178.1178.7-177.30109.8D122 V124 H155 V157D122-K148 WeakPolarHBondContact OD1-CE 3.28Å; D122-K148 IonicContact OD1-NZ 3.68Å; D122-K148 PolarHBondContact OD1-NZ 2.88Å; V124-K148 HydrophobicContact CG1-CB 4.26Å; V124-K148 HydrophobicContact CG1-CG 4.28Å; K148-H155 PolarHBondContact N-O 3.04Å; K148-H155 PolarHBondContact O-N 3.3Å; K148-V157 HydrophobicContact CB-CG2 3.52Å; K148-V157 HydrophobicContact CD-CG2 4.49Å
149P88Confident89Confident24 Ų2474.6 Ų74.616%0.15637%0.372CS..EExtended strand (participates in β ladder)trans-70.7135.4171.426.9-29.5000110.6H111 L123 L153 F154H111-P149 WeakPolarHBondContact NE2-CD 3.1Å; L123-P149 WeakPolarHBondContact O-CD 3.5Å; P149-L153 CarbonylContact C-O 3.58Å; P149-L153 WeakPolarHBondContact CA-O 3.31Å; P149-F154 HydrophobicContact CB-CD1 4.22Å; P149-F154 HydrophobicContact CB-CE1 3.96Å; P149-F154 HydrophobicContact CB-CZ 4.46Å; P149-F154 HydrophobicContact CG-CE1 4.33Å
150Q85.1Confident88.8Confident113 Ų11374.8 Ų74.853%0.52837%0.373SS..EExtended strand (participates in β ladder)trans-147.4120.8173.8-172.6-179.56.900108.1G152 L153 H155Q150-G152 PolarHBondContact O-N 3.26Å; Q150-L153 PolarHBondContact N-O 2.85Å; Q150-L153 PolarHBondContact O-N 2.79Å; Q150-L153 VanDerWaalsContact O-N 3.1Å; Q150-L153 VanDerWaalsContact O-O 3.11Å; Q150-H155 PolarHBondContact O-CE1 3.33Å
151K81.8Confident88.7Confident206 Ų20670.4 Ų70.490%0.89636%0.356SS*.THydrogen-bonded Turntrans52.238.5-179.6-58.5179.8178.9179.90113.8L153K151-L153 VanDerWaalsContact C-N 3.29Å; K151-L153 PolarHBondContact O-N 2.85Å
152G78Confident88.4Confident58 Ų5866.5 Ų66.560%0.59835%0.349SS*.THydrogen-bonded Turntrans82.4-5.9178.300000115.8Q150Q150-G152 PolarHBondContact O-N 3.26Å
153L86.1Confident88.1Confident102 Ų10267.7 Ų67.753%0.53436%0.356SS..EExtended strand (participates in β ladder)trans-107.7158.8172.9-64.7176.3000110.9P149 Q150 K151P149-L153 CarbonylContact C-O 3.58Å; P149-L153 WeakPolarHBondContact CA-O 3.31Å; Q150-L153 PolarHBondContact N-O 2.85Å; Q150-L153 PolarHBondContact O-N 2.79Å; Q150-L153 VanDerWaalsContact O-N 3.1Å; Q150-L153 VanDerWaalsContact O-O 3.11Å; K151-L153 VanDerWaalsContact C-N 3.29Å; K151-L153 PolarHBondContact O-N 2.85Å
154F89.3Confident87.6Confident34 Ų3472.6 Ų72.615%0.14938%0.383CS..EExtended strand (participates in β ladder)trans-101.8125.5175.2-71.6-87.5000109.6M103 R108 H111 Y147 P149M103-F154 HydrophobicContact CE-CD1 4Å; M103-F154 HydrophobicContact CE-CE1 3.84Å; M103-F154 HydrophobicContact CE-CG 4.42Å; M103-F154 HydrophobicContact CE-CZ 4.13Å; M103-F154 HydrophobicContact SD-CB 3.89Å; M103-F154 HydrophobicContact SD-CD1 3.39Å; M103-F154 WeakPolarHBondContact SD-CD1 3.43Å; M103-F154 HydrophobicContact SD-CD2 4.16Å; M103-F154 HydrophobicContact SD-CE1 3.89Å; M103-F154 HydrophobicContact SD-CG 3.54Å; M103-F154 VanDerWaalsContact SD-CG 3.54Å; M103-F154 HydrophobicContact SD-CZ 4.46Å; R108-F154 HydrophobicContact CB-CE2 3.88Å; R108-F154 HydrophobicContact CB-CZ 4.41Å; R108-F154 HydrophobicContact CG-CD2 3.98Å; R108-F154 HydrophobicContact CG-CE2 3.76Å; R108-F154 HydrophobicContact CG-CZ 4.46Å; H111-F154 HydrophobicContact CB-CE1 4.3Å; H111-F154 HydrophobicContact CB-CZ 4.22Å; H111-F154 AromaticContact CD2-CE1 3.53Å; H111-F154 AromaticContact CD2-CZ 3.88Å; H111-F154 AromaticContact CG-CE1 3.77Å; H111-F154 AromaticContact NE2-CE1 3.85Å; Y147-F154 HydrophobicContact CD1-CB 4.39Å; P149-F154 HydrophobicContact CB-CD1 4.22Å; P149-F154 HydrophobicContact CB-CE1 3.96Å; P149-F154 HydrophobicContact CB-CZ 4.46Å; P149-F154 HydrophobicContact CG-CE1 4.33Å
155H90.6Very high87Confident76 Ų7671.6 Ų71.635%0.35240%0.397SS..EExtended strand (participates in β ladder)trans-114.9147.8179.2-59.386.4000110.2Y147 K148 Q150Y147-H155 WeakPolarHBondContact CA-O 3.24Å; K148-H155 PolarHBondContact N-O 3.04Å; K148-H155 PolarHBondContact O-N 3.3Å; Q150-H155 PolarHBondContact O-CE1 3.33Å
156R91.9Very high86.4Confident159 Ų15975.5 Ų75.560%0.641%0.414SS*.EExtended strand (participates in β ladder)trans-73.8133.1171.8-68.6-176.8-177.21670.8109.3Q101 L146 Y147Q101-R156 PolarHBondContact O-NH2 3.18Å; L146-R156 CarbonylContact O-C 3.53Å; L146-R156 VanDerWaalsContact O-CA 3.26Å; L146-R156 WeakPolarHBondContact O-CA 3.15Å; Y147-R156 HydrophobicContact CD1-CG 4.17Å; Y147-R156 HydrophobicContact CE1-CG 3.59Å; Y147-R156 PolarHBondContact OH-NE 3.47Å
157V89.9Confident85.5Confident45 Ų4579.2 Ų79.227%0.27344%0.44SS..EExtended strand (participates in β ladder)trans-112.9138.7179177.30000108.7L146 K148 L159L146-V157 HydrophobicContact CD2-CB 4.12Å; L146-V157 HydrophobicContact CD2-CG1 4.23Å; L146-V157 PolarHBondContact O-N 2.84Å; K148-V157 HydrophobicContact CB-CG2 3.52Å; K148-V157 HydrophobicContact CD-CG2 4.49Å; V157-L159 PolarHBondContact O-N 2.92Å
158P88.6Confident84Confident100 Ų10087.9 Ų87.965%0.64948%0.481SS*.  trans-62.2131.8177.724.6-34.4000111.6M1M1-P158 PolarHBondContact N-O 3.34Å
159L87.9Confident82.9Confident35 Ų3593.9 Ų93.918%0.18351%0.51CS..  trans-106.8125.4171.1-178.264.4000108.4M1 T3 L126 V157M1-L159 HydrophobicContact CB-CD1 3.95Å; M1-L159 HydrophobicContact CG-CD1 3.8Å; M1-L159 HydrophobicContact SD-CD1 3.85Å; T3-L159 HydrophobicContact CG2-CD1 3.82Å; T3-L159 HydrophobicContact CG2-CD2 4.41Å; T3-L159 HydrophobicContact CG2-CG 4.21Å; L126-L159 HydrophobicContact CD1-CD2 4.36Å; V157-L159 PolarHBondContact O-N 2.92Å
160V86.4Confident81.9Confident71 Ų71100.1 Ų100.143%0.4354%0.541SS..EExtended strand (participates in β ladder)trans-114.6131.1177.1179.20000108.8M1 K2 T3 M166M1-V160 PolarHBondContact O-N 3.3Å; K2-V160 WeakPolarHBondContact CA-O 3.39Å; T3-V160 PolarHBondContact N-O 3.49Å; V160-M166 HydrophobicContact CG1-SD 4.47Å
161V86Confident81.7Confident38 Ų3898.4 Ų98.423%0.2355%0.554CS.*EExtended strand (participates in β ladder)trans-100.1107.7179.6-1690000108.9T3 S5 E8 N163T3-V161 HydrophobicContact CG2-CG1 4.5Å; T3-V161 HydrophobicContact CG2-CG2 4.17Å; T3-V161 CarbonylContact O-C 3.56Å; T3-V161 WeakPolarHBondContact O-CA 3.48Å; S5-V161 WeakPolarHBondContact OG-CG1 3.4Å; E8-V161 HydrophobicContact CG-CG1 4.45Å; E8-V161 WeakPolarHBondContact OE1-CG2 3.3Å; E8-V161 WeakPolarHBondContact OE2-CG1 3.37Å; E8-V161 WeakPolarHBondContact OE2-CG2 3.43Å; V161-N163 PolarHBondContact O-N 2.85Å; V161-N163 PolarHBondContact O-ND2 3.24Å
162A82.4Confident81.9Confident37 Ų3798.9 Ų98.931%0.30655%0.551SS.*EExtended strand (participates in β ladder)trans-68.1123.7-179.700000111T3 S5 M166T3-A162 PolarHBondContact O-N 3.44Å; S5-A162 PolarHBondContact N-O 3.2Å; S5-A162 PolarHBondContact OG-O 3.46Å; A162-M166 HydrophobicContact CB-CE 3.68Å
163N81.9Confident82.4Confident80 Ų80104.5 Ų104.543%0.42856%0.559SS.*  trans-137.2164179.368.478.6000111.1V161 G165 M166V161-N163 PolarHBondContact O-N 2.85Å; V161-N163 PolarHBondContact O-ND2 3.24Å; N163-G165 VanDerWaalsContact C-N 3.25Å; N163-G165 PolarHBondContact O-N 3.03Å; N163-G165 WeakPolarHBondContact OD1-CA 3.46Å; N163-G165 PolarHBondContact OD1-N 3.29Å; N163-M166 WeakPolarHBondContact O-CG 3.22Å; N163-M166 PolarHBondContact O-N 3.24Å; N163-M166 PolarHBondContact OD1-N 3.35Å
164L81.3Confident82.5Confident172 Ų172106 Ų10690%0.90157%0.573SS**G310 helixtrans-65.9-25.4-177.5-66.5174.6000113.5M166 S167L164-M166 PolarHBondContact O-N 2.91Å; L164-S167 PolarHBondContact O-N 2.74Å
165G79.8Confident82.5Confident67 Ų67109.6 Ų109.669%0.69160%0.597SS**G310 helixtrans-73.3-5.9179.300000114.3N163 S167N163-G165 VanDerWaalsContact C-N 3.25Å; N163-G165 PolarHBondContact O-N 3.03Å; N163-G165 WeakPolarHBondContact OD1-CA 3.46Å; N163-G165 PolarHBondContact OD1-N 3.29Å; G165-S167 PolarHBondContact O-N 2.67Å
166M78.8Confident82.2Confident101 Ų101110.7 Ų110.750%0.49861%0.614SS.*G310 helixtrans-80.6-0.7174.5-54.7-173.1-4300113.2V160 A162 N163 L164V160-M166 HydrophobicContact CG1-SD 4.47Å; A162-M166 HydrophobicContact CB-CE 3.68Å; N163-M166 WeakPolarHBondContact O-CG 3.22Å; N163-M166 PolarHBondContact O-N 3.24Å; N163-M166 PolarHBondContact OD1-N 3.35Å; L164-M166 PolarHBondContact O-N 2.91Å
167S75Confident81.7Confident80 Ų80106.3 Ų106.356%0.55962%0.618SS**  trans-85.9120.6173.6-172.30000110.1L164 G165 Q169L164-S167 PolarHBondContact O-N 2.74Å; G165-S167 PolarHBondContact O-N 2.67Å; S167-Q169 VanDerWaalsContact C-N 3.32Å; S167-Q169 PolarHBondContact O-N 3.48Å
168E64.2Low81.3Confident194 Ų194110.1 Ų110.191%0.90765%0.647SS**  trans-81-5.3-171.7-64-174.8162.400114.4
169Q68.3Low81.1Confident179 Ų179108.9 Ų108.984%0.83664%0.639SS**  trans-116.293.5-171.2-67.1-171.5-18.500112.6S167S167-Q169 VanDerWaalsContact C-N 3.32Å; S167-Q169 PolarHBondContact O-N 3.48Å
170L67.3Low81.1Confident155 Ų155116 Ų11681%0.81267%0.674SS**  trans-113.5-2.1172.5-68.1171.3000113.4
171G79.8Confident81.5Confident77 Ų77115.4 Ų115.479%0.79467%0.673SS**  trans-84.6122.2-176.400000112.7
172Y86.4Confident81.8Confident216 Ų216119 Ų11985%0.84770%0.695SS**  trans-90.8141.1164.4-65.8-78000110.6T174Y172-T174 PolarHBondContact O-N 2.7Å
173K88.8Confident82.3Confident176 Ų176119.3 Ų119.377%0.76570%0.702SS**  trans-74.9106.6171.7-176.1174.1-178.1175.50109.4V175K173-V175 WeakPolarHBondContact CE-O 3.29Å; K173-V175 VanDerWaalsContact CG-O 3.29Å; K173-V175 WeakPolarHBondContact CG-O 3.5Å
174T88.9Confident82.8Confident134 Ų134121.2 Ų121.282%0.82271%0.707SS**  trans-88.7-17.8-178.654.10000113.8Y172Y172-T174 PolarHBondContact O-N 2.7Å
175V88.1Confident83.3Confident109 Ų109115.4 Ų115.466%0.66168%0.68SS**  trans-126.7128.4-179.9-174.30000109.7K173K173-V175 WeakPolarHBondContact CE-O 3.29Å; K173-V175 VanDerWaalsContact CG-O 3.29Å; K173-V175 WeakPolarHBondContact CG-O 3.5Å
176S83.6Confident84Confident100 Ų100120.7 Ų120.770%0.69968%0.68SS**PPolyproline II helixtrans-91.714417059.40000110.4
177G82.3Confident84.8Confident67 Ų67118.3 Ų118.369%0.69168%0.676SS**PPolyproline II helixtrans-74.2131.9164.900000108.5
178S82.4Confident85.6Confident125 Ų125118 Ų11887%0.87467%0.67SS**PPolyproline II helixtrans-70.8140.6175.758.90000110.5
179C82.6Confident86.8Confident73 Ų73115.2 Ų115.249%0.49366%0.657SS.*  trans-128.7124.6174.6-173.80000109S181 F184C179-S181 VanDerWaalsContact C-N 3.3Å; C179-S181 VanDerWaalsContact SG-CB 3.56Å; C179-F184 HydrophobicContact CB-CD1 4.38Å
180M89.7Confident88.1Confident185 Ų185111 Ų11191%0.91164%0.644SS**  trans-87.74.8178.1-70.6-153.760.200113.7T182M180-T182 PolarHBondContact O-N 2.92Å
181S93.9Very high89.5Confident58 Ų58108.1 Ų108.141%0.40663%0.626SS.*  trans-71.2112.9-179.7177.80000111.1C179 G183 F184 S185C179-S181 VanDerWaalsContact C-N 3.3Å; C179-S181 VanDerWaalsContact SG-CB 3.56Å; S181-G183 VanDerWaalsContact C-N 3.29Å; S181-G183 PolarHBondContact O-N 2.86Å; S181-F184 PolarHBondContact O-N 3.45Å; S181-F184 PolarHBondContact OG-N 3.32Å; S181-S185 PolarHBondContact O-N 3.35Å; S181-S185 PolarHBondContact O-OG 3.12Å
182T91.5Very high90.1Very high113 Ų113106.5 Ų106.569%0.69360%0.603SS**Hα-helixtrans-64.9-33.9175.954.20000112.2M180 R186M180-T182 PolarHBondContact O-N 2.92Å; T182-R186 WeakPolarHBondContact O-CB 3.38Å; T182-R186 PolarHBondContact O-N 3.34Å
183G94.8Very high90.4Very high44 Ų44100.1 Ų100.145%0.45459%0.589SS.*Hα-helixtrans-64.6-42.6175.800000112.3S181 R186 A187S181-G183 VanDerWaalsContact C-N 3.29Å; S181-G183 PolarHBondContact O-N 2.86Å; G183-R186 PolarHBondContact O-N 3.08Å; G183-A187 WeakPolarHBondContact O-CB 3.24Å; G183-A187 PolarHBondContact O-N 2.91Å
184F92.4Very high90.7Very high121 Ų12198.4 Ų98.453%0.53158%0.582SS.*Hα-helixtrans-60.6-52174.9174.8-100.8000111.2C179 S181 R186 A187 V188C179-F184 HydrophobicContact CB-CD1 4.38Å; S181-F184 PolarHBondContact O-N 3.45Å; S181-F184 PolarHBondContact OG-N 3.32Å; F184-R186 VanDerWaalsContact C-N 3.33Å; F184-R186 PolarHBondContact O-N 2.92Å; F184-A187 PolarHBondContact O-N 2.89Å; F184-V188 HydrophobicContact CD1-CG2 4.43Å; F184-V188 HydrophobicContact CD2-CG2 4.34Å; F184-V188 HydrophobicContact CE1-CG2 4.04Å; F184-V188 HydrophobicContact CE2-CG2 3.94Å; F184-V188 HydrophobicContact CZ-CG2 3.77Å; F184-V188 WeakPolarHBondContact O-CG2 3.46Å; F184-V188 PolarHBondContact O-N 2.81Å
185S90.9Very high90.9Very high49 Ų4997.9 Ų97.934%0.34357%0.568SS.*Hα-helixtrans-59.4-42.5-179.8-60.40000112.5S181 V188 Q189S181-S185 PolarHBondContact O-N 3.35Å; S181-S185 PolarHBondContact O-OG 3.12Å; S185-V188 PolarHBondContact O-N 3.36Å; S185-Q189 WeakPolarHBondContact O-CB 3.09Å; S185-Q189 VanDerWaalsContact O-CG 3.25Å; S185-Q189 WeakPolarHBondContact O-CG 3.26Å; S185-Q189 PolarHBondContact O-N 2.75Å
186R94.5Very high91.2Very high179 Ų17997 Ų9768%0.67556%0.556SS**Hα-helixtrans-62.7-43.5177.4-173.1-177.2-65.3178.4-0.9111.8T182 G183 F184 Q189 T190T182-R186 WeakPolarHBondContact O-CB 3.38Å; T182-R186 PolarHBondContact O-N 3.34Å; G183-R186 PolarHBondContact O-N 3.08Å; F184-R186 VanDerWaalsContact C-N 3.33Å; F184-R186 PolarHBondContact O-N 2.92Å; R186-Q189 PolarHBondContact O-N 3.15Å; R186-T190 WeakPolarHBondContact O-CB 3.47Å; R186-T190 PolarHBondContact O-N 2.74Å; R186-T190 PolarHBondContact O-OG1 2.97Å
187A94.5Very high91.7Very high50 Ų5096.3 Ų96.341%0.41354%0.542SS..Hα-helixtrans-64.9-43.9179.200000111.7G183 F184 T190 H191G183-A187 WeakPolarHBondContact O-CB 3.24Å; G183-A187 PolarHBondContact O-N 2.91Å; F184-A187 PolarHBondContact O-N 2.89Å; A187-T190 PolarHBondContact O-N 3.04Å; A187-H191 PolarHBondContact O-CD2 2.94Å; A187-H191 PolarHBondContact O-N 3.04Å
188V91.9Very high92.1Very high73 Ų73103 Ų10344%0.44256%0.555SS.*Hα-helixtrans-61.9-46.6176.5173.50000111.1F184 S185 T190 H191 S192F184-V188 HydrophobicContact CD1-CG2 4.43Å; F184-V188 HydrophobicContact CD2-CG2 4.34Å; F184-V188 HydrophobicContact CE1-CG2 4.04Å; F184-V188 HydrophobicContact CE2-CG2 3.94Å; F184-V188 HydrophobicContact CZ-CG2 3.77Å; F184-V188 WeakPolarHBondContact O-CG2 3.46Å; F184-V188 PolarHBondContact O-N 2.81Å; S185-V188 PolarHBondContact O-N 3.36Å; V188-T190 PolarHBondContact O-N 3.19Å; V188-H191 CarbonylContact O-C 3.53Å; V188-H191 PolarHBondContact O-N 3.23Å; V188-S192 WeakPolarHBondContact O-CA 3.1Å; V188-S192 WeakPolarHBondContact O-CB 3.44Å; V188-S192 PolarHBondContact O-N 3.2Å
189Q91.2Very high92.5Very high137 Ų137103 Ų10364%0.6455%0.545SS*.Hα-helixtrans-63.7-38.9177.9-73.8172.5-6.700112.7S185 R186 H191 S192S185-Q189 WeakPolarHBondContact O-CB 3.09Å; S185-Q189 VanDerWaalsContact O-CG 3.25Å; S185-Q189 WeakPolarHBondContact O-CG 3.26Å; S185-Q189 PolarHBondContact O-N 2.75Å; R186-Q189 PolarHBondContact O-N 3.15Å; Q189-H191 PolarHBondContact O-N 3.34Å; Q189-S192 PolarHBondContact O-N 3.06Å; Q189-S192 PolarHBondContact O-OG 2.81Å
190T95.8Very high92.8Very high91 Ų91101.9 Ų101.956%0.55855%0.546SS*.Hα-helixtrans-63.5-29.1179.4-58.30000112.2R186 A187 V188R186-T190 WeakPolarHBondContact O-CB 3.47Å; R186-T190 PolarHBondContact O-N 2.74Å; R186-T190 PolarHBondContact O-OG1 2.97Å; A187-T190 PolarHBondContact O-N 3.04Å; V188-T190 PolarHBondContact O-N 3.19Å
191H94.9Very high93Very high93 Ų9394.4 Ų94.443%0.43151%0.512SS..Hα-helixtrans-108.80.2-178.7-64.5-46.3000114.1A187 V188 Q189 S193 K194 F195A187-H191 PolarHBondContact O-CD2 2.94Å; A187-H191 PolarHBondContact O-N 3.04Å; V188-H191 CarbonylContact O-C 3.53Å; V188-H191 PolarHBondContact O-N 3.23Å; Q189-H191 PolarHBondContact O-N 3.34Å; H191-S193 VanDerWaalsContact C-N 3.33Å; H191-S193 PolarHBondContact O-N 2.97Å; H191-K194 HydrophobicContact CB-CD 4.46Å; H191-K194 WeakPolarHBondContact O-CB 3.29Å; H191-K194 PolarHBondContact O-N 2.84Å; H191-K194 VanDerWaalsContact O-N 3.14Å; H191-F195 WeakPolarHBondContact O-CD2 3.42Å
192S92.9Very high93.1Very high44 Ų4494.9 Ų94.931%0.30851%0.51SS..Hα-helixtrans-62-39.2-173.661.60000112.5V188 Q189 K194 F195 F196V188-S192 WeakPolarHBondContact O-CA 3.1Å; V188-S192 WeakPolarHBondContact O-CB 3.44Å; V188-S192 PolarHBondContact O-N 3.2Å; Q189-S192 PolarHBondContact O-N 3.06Å; Q189-S192 PolarHBondContact O-OG 2.81Å; S192-K194 PolarHBondContact O-N 2.96Å; S192-F195 PolarHBondContact O-N 3.13Å; S192-F196 PolarHBondContact O-N 3.05Å
193S92.9Very high93.3Very high81 Ų8192.1 Ų92.157%0.56649%0.488SS*.THydrogen-bonded Turntrans-61.3-16.6179.159.50000114.1H191 F195 K203H191-S193 VanDerWaalsContact C-N 3.33Å; H191-S193 PolarHBondContact O-N 2.97Å; S193-F195 VanDerWaalsContact C-N 3.31Å; S193-K203 PolarHBondContact O-NZ 2.83Å
194K94.1Very high93.3Very high140 Ų14094.7 Ų94.761%0.60949%0.488SS*.THydrogen-bonded Turntrans-71.7-25.9173-63.1-178.3176.3178.40112.7H191 S192H191-K194 HydrophobicContact CB-CD 4.46Å; H191-K194 WeakPolarHBondContact O-CB 3.29Å; H191-K194 PolarHBondContact O-N 2.84Å; H191-K194 VanDerWaalsContact O-N 3.14Å; S192-K194 PolarHBondContact O-N 2.96Å
195F93.8Very high93.4Very high123 Ų12392.5 Ų92.554%0.53949%0.485SS..THydrogen-bonded Turntrans-116.6-36.2-172.3-55.6-78.8000112.8H191 S192 S193 L202 K203H191-F195 WeakPolarHBondContact O-CD2 3.42Å; S192-F195 PolarHBondContact O-N 3.13Å; S193-F195 VanDerWaalsContact C-N 3.31Å; F195-L202 HydrophobicContact CB-CD1 4.15Å; F195-L202 WeakPolarHBondContact O-CD1 3.44Å; F195-K203 WeakPolarHBondContact O-CB 3.48Å; F195-K203 WeakPolarHBondContact O-CG 3.47Å; F195-K203 PolarHBondContact O-N 2.97Å
196F94.8Very high93.5Very high91 Ų9194.5 Ų94.540%0.39949%0.488SS..BIsolated β-bridgetrans-102147-178.3-62.5-81.6000111.3S192 G200 S201 L202 K203S192-F196 PolarHBondContact O-N 3.05Å; F196-G200 WeakPolarHBondContact CD1-O 3.18Å; F196-S201 CarbonylContact C-O 3.5Å; F196-S201 VanDerWaalsContact CA-O 3.24Å; F196-S201 WeakPolarHBondContact CA-O 3.35Å; F196-L202 HydrophobicContact CD1-CD1 4.04Å; F196-L202 HydrophobicContact CE1-CD1 3.78Å; F196-L202 HydrophobicContact CZ-CD1 4.08Å; F196-K203 WeakPolarHBondContact O-CE 3.46Å
197E93.3Very high93.6Very high86 Ų8691.3 Ų91.340%0.40248%0.479SS..  trans-80.3171.1164.3-63.8-64176.900111.1D199 G200 S201 K203E197-D199 WeakPolarHBondContact CB-OD1 3.44Å; E197-D199 PolarHBondContact O-N 2.96Å; E197-G200 PolarHBondContact O-N 2.63Å; E197-S201 PolarHBondContact N-O 3.44Å; E197-K203 HydrophobicContact CG-CG 3.85Å; E197-K203 WeakPolarHBondContact OE1-CE 3.36Å; E197-K203 VanDerWaalsContact OE1-CG 3.31Å; E197-K203 WeakPolarHBondContact OE1-CG 3.49Å; E197-K203 WeakPolarHBondContact OE2-CE 2.78Å; E197-K203 IonicContact OE2-NZ 3.73Å
198E90.4Very high93.7Very high206 Ų20693.2 Ų93.296%0.96348%0.482SS*.THydrogen-bonded Turntrans-62.2-26.7-179.5-63.3-172.8171.200113G200E198-G200 VanDerWaalsContact C-N 3.26Å; E198-G200 PolarHBondContact O-N 2.99Å
199D91.5Very high93.9Very high126 Ų12694.3 Ų94.367%0.67449%0.485SS*.THydrogen-bonded Turntrans-81.9-0.717671.1-8000113.7E197 S201E197-D199 WeakPolarHBondContact CB-OD1 3.44Å; E197-D199 PolarHBondContact O-N 2.96Å; D199-S201 VanDerWaalsContact C-N 3.34Å; D199-S201 WeakPolarHBondContact OD1-CB 3.45Å; D199-S201 PolarHBondContact OD1-N 3.06Å; D199-S201 PolarHBondContact OD1-OG 2.94Å
200G90.2Very high94.2Very high50 Ų5094 Ų9452%0.51548%0.484SS..SBendtrans83.73.4-178.500000114.6F196 E197 E198F196-G200 WeakPolarHBondContact CD1-O 3.18Å; E197-G200 PolarHBondContact O-N 2.63Å; E198-G200 VanDerWaalsContact C-N 3.26Å; E198-G200 PolarHBondContact O-N 2.99Å
201S93.8Very high94.2Very high28 Ų2895.3 Ų95.320%0.19649%0.485CS..  trans-75.1155.9174.471.60000112.1F196 E197 D199 H206F196-S201 CarbonylContact C-O 3.5Å; F196-S201 VanDerWaalsContact CA-O 3.24Å; F196-S201 WeakPolarHBondContact CA-O 3.35Å; E197-S201 PolarHBondContact N-O 3.44Å; D199-S201 VanDerWaalsContact C-N 3.34Å; D199-S201 WeakPolarHBondContact OD1-CB 3.45Å; D199-S201 PolarHBondContact OD1-N 3.06Å; D199-S201 PolarHBondContact OD1-OG 2.94Å; S201-H206 PolarHBondContact OG-CE1 2.92Å; S201-H206 VanDerWaalsContact OG-CE1 3.31Å
202L95.6Very high94.3Very high68 Ų6897.8 Ų97.836%0.35649%0.492SS..BIsolated β-bridgetrans-88.5127.5179.3-162.675.3000110.5F195 F196 E204 V205 H206F195-L202 HydrophobicContact CB-CD1 4.15Å; F195-L202 WeakPolarHBondContact O-CD1 3.44Å; F196-L202 HydrophobicContact CD1-CD1 4.04Å; F196-L202 HydrophobicContact CE1-CD1 3.78Å; F196-L202 HydrophobicContact CZ-CD1 4.08Å; L202-E204 VanDerWaalsContact C-N 3.29Å; L202-E204 HydrophobicContact CD2-CB 4.48Å; L202-E204 PolarHBondContact O-N 2.87Å; L202-V205 HydrophobicContact CB-CB 4.46Å; L202-V205 HydrophobicContact CB-CG2 3.97Å; L202-V205 HydrophobicContact CD2-CG2 4.13Å; L202-V205 PolarHBondContact O-N 2.83Å; L202-V205 VanDerWaalsContact O-N 3.17Å; L202-H206 PolarHBondContact O-ND1 3.17Å
203K94.6Very high94.4Very high55 Ų5598.1 Ų98.124%0.23950%0.497CS..Hα-helixtrans-56.7-41.4-179.3-69.8-178.4168.9171.10113S193 F195 F196 E197 V205 H206 K207S193-K203 PolarHBondContact O-NZ 2.83Å; F195-K203 WeakPolarHBondContact O-CB 3.48Å; F195-K203 WeakPolarHBondContact O-CG 3.47Å; F195-K203 PolarHBondContact O-N 2.97Å; F196-K203 WeakPolarHBondContact O-CE 3.46Å; E197-K203 HydrophobicContact CG-CG 3.85Å; E197-K203 WeakPolarHBondContact OE1-CE 3.36Å; E197-K203 VanDerWaalsContact OE1-CG 3.31Å; E197-K203 WeakPolarHBondContact OE1-CG 3.49Å; E197-K203 WeakPolarHBondContact OE2-CE 2.78Å; E197-K203 IonicContact OE2-NZ 3.73Å; K203-V205 VanDerWaalsContact C-N 3.33Å; K203-V205 PolarHBondContact O-N 2.78Å; K203-H206 PolarHBondContact O-N 2.78Å; K203-K207 WeakPolarHBondContact O-CG 3.49Å; K203-K207 PolarHBondContact O-N 2.91Å
204E95.5Very high94.6Very high97 Ų9797.8 Ų97.845%0.45350%0.495SS..Hα-helixtrans-68.8-30.1-178.2-64.7-55.2127.800113L202 H206 K207 I208L202-E204 VanDerWaalsContact C-N 3.29Å; L202-E204 HydrophobicContact CD2-CB 4.48Å; L202-E204 PolarHBondContact O-N 2.87Å; E204-H206 VanDerWaalsContact C-N 3.33Å; E204-H206 PolarHBondContact O-N 2.69Å; E204-K207 PolarHBondContact O-N 3.03Å; E204-K207 IonicContact OE1-NZ 2.74Å; E204-K207 PolarHBondContact OE1-NZ 3.08Å; E204-I208 WeakPolarHBondContact O-CB 3.47Å; E204-I208 VanDerWaalsContact O-CG1 3.29Å; E204-I208 WeakPolarHBondContact O-CG1 3.38Å; E204-I208 PolarHBondContact O-N 3.01Å
205V94.8Very high94.7Very high76 Ų7696 Ų9646%0.46149%0.491SS..Hα-helixtrans-63.3-44.1176.4171.90000110.2L202 K203 N209L202-V205 HydrophobicContact CB-CB 4.46Å; L202-V205 HydrophobicContact CB-CG2 3.97Å; L202-V205 HydrophobicContact CD2-CG2 4.13Å; L202-V205 PolarHBondContact O-N 2.83Å; L202-V205 VanDerWaalsContact O-N 3.17Å; K203-V205 VanDerWaalsContact C-N 3.33Å; K203-V205 PolarHBondContact O-N 2.78Å; V205-N209 WeakPolarHBondContact O-CB 2.67Å; V205-N209 PolarHBondContact O-N 3.26Å; V205-N209 PolarHBondContact O-ND2 3.45Å
206H93.5Very high94.8Very high90 Ų9093.7 Ų93.742%0.41748%0.482SS..Hα-helixtrans-62.5-49.7177.1-72.690.3000111.8S201 L202 K203 E204 I208 N209 E210S201-H206 PolarHBondContact OG-CE1 2.92Å; S201-H206 VanDerWaalsContact OG-CE1 3.31Å; L202-H206 PolarHBondContact O-ND1 3.17Å; K203-H206 PolarHBondContact O-N 2.78Å; E204-H206 VanDerWaalsContact C-N 3.33Å; E204-H206 PolarHBondContact O-N 2.69Å; H206-I208 PolarHBondContact O-N 2.98Å; H206-N209 PolarHBondContact O-N 3.08Å; H206-N209 VanDerWaalsContact O-N 3.15Å; H206-E210 WeakPolarHBondContact O-CG 3.41Å; H206-E210 PolarHBondContact O-N 3.08Å
207K95.9Very high94.8Very high112 Ų11294.7 Ų94.749%0.48749%0.488SS..Hα-helixtrans-57.6-44.8179.3-67.3176.1-171.3169.60113K203 E204 E210 M211K203-K207 WeakPolarHBondContact O-CG 3.49Å; K203-K207 PolarHBondContact O-N 2.91Å; E204-K207 PolarHBondContact O-N 3.03Å; E204-K207 IonicContact OE1-NZ 2.74Å; E204-K207 PolarHBondContact OE1-NZ 3.08Å; K207-E210 PolarHBondContact O-N 3.49Å; K207-M211 WeakPolarHBondContact O-CB 3.41Å; K207-M211 PolarHBondContact O-N 2.82Å
208I95.9Very high94.9Very high91 Ų9198.5 Ų98.547%0.46751%0.506SS..Hα-helixtrans-67.5-39178.9-65.1-63.4000110.9E204 H206 M211 Y212E204-I208 WeakPolarHBondContact O-CB 3.47Å; E204-I208 VanDerWaalsContact O-CG1 3.29Å; E204-I208 WeakPolarHBondContact O-CG1 3.38Å; E204-I208 PolarHBondContact O-N 3.01Å; H206-I208 PolarHBondContact O-N 2.98Å; I208-M211 HydrophobicContact CD1-CE 4.17Å; I208-M211 PolarHBondContact O-N 3.26Å; I208-Y212 VanDerWaalsContact O-CB 3.3Å; I208-Y212 WeakPolarHBondContact O-CB 3.27Å; I208-Y212 PolarHBondContact O-N 3.32Å
209N96Very high94.9Very high96 Ų9694.6 Ų94.651%0.51349%0.491SS..Hα-helixtrans-65.5-40.6176-75.1-20.3000112.3V205 H206 Y212 A213V205-N209 WeakPolarHBondContact O-CB 2.67Å; V205-N209 PolarHBondContact O-N 3.26Å; V205-N209 PolarHBondContact O-ND2 3.45Å; H206-N209 PolarHBondContact O-N 3.08Å; H206-N209 VanDerWaalsContact O-N 3.15Å; N209-Y212 PolarHBondContact O-N 2.98Å; N209-A213 WeakPolarHBondContact O-CB 3.4Å; N209-A213 PolarHBondContact O-N 3.29Å
210E97.1Very high94.5Very high130 Ų13097.5 Ų97.561%0.60750%0.498SS*.Hα-helixtrans-65.3-43.6175.4-73.7177.4176.900112H206 K207 Y212 A213 S214H206-E210 WeakPolarHBondContact O-CG 3.41Å; H206-E210 PolarHBondContact O-N 3.08Å; K207-E210 PolarHBondContact O-N 3.49Å; E210-Y212 VanDerWaalsContact C-N 3.32Å; E210-Y212 PolarHBondContact O-N 3.36Å; E210-A213 PolarHBondContact O-N 2.82Å; E210-S214 WeakPolarHBondContact O-CB 3.32Å; E210-S214 PolarHBondContact O-N 2.84Å; E210-S214 PolarHBondContact O-OG 2.73Å
211M97.3Very high94.8Very high119 Ų11999.9 Ų99.959%0.58650%0.497SS*.Hα-helixtrans-59.9-44.7173.2-176.9-168.57200110.9K207 I208 S214 L215K207-M211 WeakPolarHBondContact O-CB 3.41Å; K207-M211 PolarHBondContact O-N 2.82Å; I208-M211 HydrophobicContact CD1-CE 4.17Å; I208-M211 PolarHBondContact O-N 3.26Å; M211-S214 PolarHBondContact O-N 3.39Å; M211-L215 WeakPolarHBondContact O-CB 3.4Å; M211-L215 PolarHBondContact O-N 3.23Å
212Y95.7Very high94.8Very high144 Ų144103.7 Ų103.757%0.56551%0.513SS*.Hα-helixtrans-63.1-43.8177.4-178.5-92.6000111.7I208 N209 E210 S214 L215 Q216I208-Y212 VanDerWaalsContact O-CB 3.3Å; I208-Y212 WeakPolarHBondContact O-CB 3.27Å; I208-Y212 PolarHBondContact O-N 3.32Å; N209-Y212 PolarHBondContact O-N 2.98Å; E210-Y212 VanDerWaalsContact C-N 3.32Å; E210-Y212 PolarHBondContact O-N 3.36Å; Y212-S214 VanDerWaalsContact C-N 3.34Å; Y212-S214 PolarHBondContact O-N 3.14Å; Y212-L215 PolarHBondContact O-N 2.96Å; Y212-Q216 WeakPolarHBondContact O-CB 3.25Å; Y212-Q216 PolarHBondContact O-N 3.04Å
213A96.7Very high94.8Very high52 Ų52105.7 Ų105.743%0.4352%0.522SS..Hα-helixtrans-61-43.6175.900000111.5N209 E210 L215 Q216 E217N209-A213 WeakPolarHBondContact O-CB 3.4Å; N209-A213 PolarHBondContact O-N 3.29Å; E210-A213 PolarHBondContact O-N 2.82Å; A213-L215 PolarHBondContact O-N 3.07Å; A213-Q216 WeakPolarHBondContact O-CB 3.5Å; A213-Q216 PolarHBondContact O-N 2.95Å; A213-E217 PolarHBondContact O-N 3.42Å
214S97.1Very high94.8Very high74 Ų74108.6 Ų108.652%0.51754%0.538SS..Hα-helixtrans-61.4-45.6176.7-54.10000111.6E210 M211 Y212 Q216 E217 E218E210-S214 WeakPolarHBondContact O-CB 3.32Å; E210-S214 PolarHBondContact O-N 2.84Å; E210-S214 PolarHBondContact O-OG 2.73Å; M211-S214 PolarHBondContact O-N 3.39Å; Y212-S214 VanDerWaalsContact C-N 3.34Å; Y212-S214 PolarHBondContact O-N 3.14Å; S214-Q216 VanDerWaalsContact C-N 3.29Å; S214-Q216 PolarHBondContact O-N 3.34Å; S214-E217 PolarHBondContact O-N 3.08Å; S214-E218 PolarHBondContact O-N 3.26Å
215L95.6Very high94.7Very high101 Ų101109.4 Ų109.453%0.52954%0.543SS..Hα-helixtrans-63-37.3175.3-179.464.8000112M211 Y212 A213 E217 E218 L219M211-L215 WeakPolarHBondContact O-CB 3.4Å; M211-L215 PolarHBondContact O-N 3.23Å; Y212-L215 PolarHBondContact O-N 2.96Å; A213-L215 PolarHBondContact O-N 3.07Å; L215-E217 VanDerWaalsContact C-N 3.34Å; L215-E218 PolarHBondContact O-N 3.49Å; L215-L219 HydrophobicContact CG-CD1 4.27Å; L215-L219 WeakPolarHBondContact O-CG 3.2Å; L215-L219 PolarHBondContact O-N 3.14Å
216Q94.6Very high94.7Very high75 Ų75111.6 Ų111.635%0.3555%0.549SS..Hα-helixtrans-66.7-35.3178.5-174.862.55500111.9Y212 A213 S214 L219 K220Y212-Q216 WeakPolarHBondContact O-CB 3.25Å; Y212-Q216 PolarHBondContact O-N 3.04Å; A213-Q216 WeakPolarHBondContact O-CB 3.5Å; A213-Q216 PolarHBondContact O-N 2.95Å; S214-Q216 VanDerWaalsContact C-N 3.29Å; S214-Q216 PolarHBondContact O-N 3.34Å; Q216-L219 PolarHBondContact O-N 3.28Å; Q216-K220 WeakPolarHBondContact O-CG 3.14Å; Q216-K220 PolarHBondContact O-N 3.43Å
217E95.7Very high94.8Very high113 Ų113113.1 Ų113.153%0.52856%0.558SS.*Hα-helixtrans-67.1-41.1173.1-67.2-55143.300111.9A213 S214 L215 L219 K220A213-E217 PolarHBondContact O-N 3.42Å; S214-E217 PolarHBondContact O-N 3.08Å; L215-E217 VanDerWaalsContact C-N 3.34Å; E217-L219 PolarHBondContact O-N 2.98Å; E217-K220 PolarHBondContact O-N 2.79Å; E217-K220 IonicContact OE1-NZ 3.09Å; E217-K220 PolarHBondContact OE1-NZ 3.12Å; E217-K220 WeakPolarHBondContact OE2-CD 3.44Å; E217-K220 IonicContact OE2-NZ 2.67Å; E217-K220 PolarHBondContact OE2-NZ 3.11Å; E217-K220 VanDerWaalsContact OE2-NZ 3.09Å
218E95Very high94.7Very high165 Ų165113.2 Ų113.277%0.77156%0.564SS**Hα-helixtrans-64-20.9175.7-67.7-68149.800113.5S214 L215S214-E218 PolarHBondContact O-N 3.26Å; L215-E218 PolarHBondContact O-N 3.49Å
219L91.1Very high94.6Very high124 Ų124115.1 Ų115.165%0.64957%0.572SS**THydrogen-bonded Turntrans-93.7-10.2178.9-71173.7000114.2L215 Q216 E217L215-L219 HydrophobicContact CG-CD1 4.27Å; L215-L219 WeakPolarHBondContact O-CG 3.2Å; L215-L219 PolarHBondContact O-N 3.14Å; Q216-L219 PolarHBondContact O-N 3.28Å; E217-L219 PolarHBondContact O-N 2.98Å
220K83.8Confident94.5Very high188 Ų188116.8 Ų116.882%0.81758%0.577SS**  trans-76.20176-78.1176.7-172.4169.90111.4Q216 E217Q216-K220 WeakPolarHBondContact O-CG 3.14Å; Q216-K220 PolarHBondContact O-N 3.43Å; E217-K220 PolarHBondContact O-N 2.79Å; E217-K220 IonicContact OE1-NZ 3.09Å; E217-K220 PolarHBondContact OE1-NZ 3.12Å; E217-K220 WeakPolarHBondContact OE2-CD 3.44Å; E217-K220 IonicContact OE2-NZ 2.67Å; E217-K220 PolarHBondContact OE2-NZ 3.11Å; E217-K220 VanDerWaalsContact OE2-NZ 3.09Å

Retrieved 220 of 220 residues in 60.2 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).