SH3L1_PONAB Loading...

Adapter SH3BGRL

Appears to function as an adapter protein that bridges proteins together or proteins with mRNAs. May function as a ubiquitin ligase-substrate adapter. Additionally, associates with translating cytoplasmic ribosomes and may promote the expression of specific mRNAs.

AlphaFold DB , UniProt , Accession Q5RFN7, Species PONAB (Pongo abelii, Sumatran orangutan), Gene SH3BGRL, Length 114 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.4Confident95.6Very high154 Ų15443.2 Ų43.276%0.75925%0.246SC*.  0112.40-64.7-175.4173.400108.6E72 L97M1-E72 WeakPolarHBondContact CA-OE1 3.12Å; M1-E72 PolarHBondContact N-OE1 3.11Å; M1-L97 HydrophobicContact CB-CD2 4Å; M1-L97 HydrophobicContact SD-CD2 3.9Å
2V92.6Very high95.6Very high51 Ų5146.6 Ų46.631%0.30930%0.298SS..  trans-125.1120.1175.8178.60000107.3R4 E35 E72V2-R4 PolarHBondContact O-N 3.31Å; V2-E35 HydrophobicContact CG1-CG 3.81Å; V2-E72 PolarHBondContact O-N 3.4Å
3I98.2Very high95.7Very high2 Ų246.5 Ų46.51%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-75.9125.4174.9-58.2-52.5000108.1V5 L27 I32 F34 E35 I69 F70 N71 L95 L97I3-V5 HydrophobicContact CG2-CG2 4.14Å; I3-L27 HydrophobicContact CG2-CD1 4.08Å; I3-I32 HydrophobicContact CG1-CG2 4.09Å; I3-F34 HydrophobicContact CB-CB 3.94Å; I3-F34 HydrophobicContact CG2-CB 4.22Å; I3-F34 CarbonylContact O-C 3.4Å; I3-F34 WeakPolarHBondContact O-CA 3.49Å; I3-F34 VanDerWaalsContact O-CB 3.28Å; I3-F34 WeakPolarHBondContact O-CB 3.36Å; I3-E35 PolarHBondContact O-N 3.42Å; I3-I69 HydrophobicContact CG2-CG2 4.09Å; I3-F70 CarbonylContact C-O 3.56Å; I3-F70 WeakPolarHBondContact CA-O 3.36Å; I3-N71 HydrophobicContact CD1-CB 3.91Å; I3-L95 HydrophobicContact CD1-CB 3.94Å; I3-L95 HydrophobicContact CD1-CD2 4.23Å; I3-L95 HydrophobicContact CG2-CD2 4.12Å; I3-L97 HydrophobicContact CD1-CD1 4.19Å; I3-L97 HydrophobicContact CD1-CD2 4.29Å; I3-L97 HydrophobicContact CD1-CG 4.27Å; I3-L97 HydrophobicContact CG1-CD1 4.07Å
4R98.5Very high95.8Very high71 Ų7150 Ų5027%0.26832%0.32SS..EExtended strand (participates in β ladder)trans-111.1121.5175.3-69.4179176.4154.5-1108.4V2 Y6 E35 K37 F70 E72V2-R4 PolarHBondContact O-N 3.31Å; R4-Y6 HydrophobicContact CB-CE2 4.19Å; R4-E35 WeakPolarHBondContact CA-O 3.37Å; R4-E35 HydrophobicContact CG-CB 4.3Å; R4-E35 IonicContact NE-OE2 3.28Å; R4-E35 PolarHBondContact NE-OE2 2.95Å; R4-K37 HydrophobicContact CB-CG 4.11Å; R4-K37 HydrophobicContact CG-CG 4.35Å; R4-F70 HydrophobicContact CB-CB 4.32Å; R4-F70 PolarHBondContact N-O 3.42Å; R4-F70 PolarHBondContact O-N 2.79Å; R4-E72 WeakPolarHBondContact CD-O 3.28Å; R4-E72 PolarHBondContact NH1-O 3.22Å
5V98.7Very high95.9Very high0 Ų050.7 Ų50.70%033%0.332CS..EExtended strand (participates in β ladder)trans-108.6111.7175.8-167.50000107.9I3 I7 V23 L24 L27 F34 E35 K37 P67 I69I3-V5 HydrophobicContact CG2-CG2 4.14Å; V5-I7 HydrophobicContact CB-CG2 4.35Å; V5-I7 HydrophobicContact CG1-CG2 3.73Å; V5-I7 PolarHBondContact O-N 3.3Å; V5-V23 HydrophobicContact CG1-CG1 3.94Å; V5-V23 HydrophobicContact CG2-CG1 4.19Å; V5-L24 HydrophobicContact CB-CD2 3.91Å; V5-L24 HydrophobicContact CG1-CD2 4.02Å; V5-L24 HydrophobicContact CG2-CD2 4.15Å; V5-L27 HydrophobicContact CG2-CD1 3.54Å; V5-F34 HydrophobicContact CG2-CD2 4.46Å; V5-E35 PolarHBondContact N-O 2.9Å; V5-K37 PolarHBondContact O-N 3.15Å; V5-P67 HydrophobicContact CG1-CB 3.97Å; V5-I69 HydrophobicContact CG1-CG1 4.35Å
6Y98.7Very high96Very high6 Ų649.3 Ų49.32%0.02432%0.32CS..EExtended strand (participates in β ladder)trans-79.5117.7173.6-73.9-99.6000109R4 K37 I39 N45 W48 M49 P66 P67 Q68 F70R4-Y6 HydrophobicContact CB-CE2 4.19Å; Y6-K37 VanDerWaalsContact CA-O 3.31Å; Y6-K37 WeakPolarHBondContact CA-O 3.31Å; Y6-K37 HydrophobicContact CD1-CB 3.57Å; Y6-K37 HydrophobicContact CD2-CB 4.15Å; Y6-K37 HydrophobicContact CD2-CG 4.44Å; Y6-K37 HydrophobicContact CE1-CB 3.59Å; Y6-K37 HydrophobicContact CE1-CG 4.22Å; Y6-K37 HydrophobicContact CE2-CB 4.13Å; Y6-K37 HydrophobicContact CE2-CG 4.1Å; Y6-K37 HydrophobicContact CG-CB 3.87Å; Y6-I39 HydrophobicContact CD1-CG2 3.63Å; Y6-I39 HydrophobicContact CG-CG2 4.35Å; Y6-N45 HydrophobicContact CD1-CB 4.18Å; Y6-N45 HydrophobicContact CE1-CB 3.84Å; Y6-N45 VanDerWaalsContact CE1-O 3.26Å; Y6-N45 WeakPolarHBondContact CE1-O 3.07Å; Y6-W48 HydrophobicContact CE1-CE3 4.09Å; Y6-W48 AromaticContact CE2-CE3 3.9Å; Y6-W48 HydrophobicContact CE2-CE3 3.9Å; Y6-W48 AromaticContact CE2-CZ3 3.69Å; Y6-W48 HydrophobicContact CE2-CZ3 3.69Å; Y6-W48 AromaticContact CZ-CE3 3.38Å; Y6-W48 AromaticContact CZ-CZ3 3.67Å; Y6-W48 WeakPolarHBondContact OH-CZ3 3.29Å; Y6-M49 HydrophobicContact CD1-CB 3.61Å; Y6-M49 HydrophobicContact CD1-CG 4.01Å; Y6-M49 HydrophobicContact CD1-SD 4.45Å; Y6-M49 HydrophobicContact CD2-CG 4.42Å; Y6-M49 HydrophobicContact CE1-CB 3.96Å; Y6-M49 HydrophobicContact CG-CB 3.97Å; Y6-M49 HydrophobicContact CG-CG 3.84Å; Y6-M49 HydrophobicContact CG-SD 4.24Å; Y6-P66 WeakPolarHBondContact O-CB 3.46Å; Y6-P67 WeakPolarHBondContact O-CA 3.39Å; Y6-Q68 PolarHBondContact N-O 2.97Å; Y6-Q68 PolarHBondContact O-N 3.14Å; Y6-F70 AromaticContact CD2-CD2 3.59Å; Y6-F70 HydrophobicContact CD2-CD2 3.59Å; Y6-F70 AromaticContact CD2-CE2 3.89Å; Y6-F70 HydrophobicContact CD2-CE2 3.89Å; Y6-F70 AromaticContact CE2-CD2 3.77Å; Y6-F70 HydrophobicContact CE2-CD2 3.77Å; Y6-F70 HydrophobicContact CE2-CE2 4.17Å; Y6-F70 HydrophobicContact CE2-CG 4.34Å
7I98.7Very high96.1Very high6 Ų651.6 Ų51.63%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-126.2157.8-173.460.599000109.6V5 Q20 L24 E36 K37 D38 I39V5-I7 HydrophobicContact CB-CG2 4.35Å; V5-I7 HydrophobicContact CG1-CG2 3.73Å; V5-I7 PolarHBondContact O-N 3.3Å; I7-Q20 HydrophobicContact CB-CG 4.17Å; I7-Q20 HydrophobicContact CG2-CB 4.27Å; I7-Q20 HydrophobicContact CG2-CG 4Å; I7-L24 HydrophobicContact CG2-CD1 4.3Å; I7-L24 HydrophobicContact CG2-CD2 4.33Å; I7-E36 HydrophobicContact CG1-CB 4.26Å; I7-K37 PolarHBondContact N-O 3.23Å; I7-K37 VanDerWaalsContact N-O 3.14Å; I7-D38 HydrophobicContact CD1-CB 4.1Å; I7-D38 CarbonylContact O-C 3.5Å; I7-D38 VanDerWaalsContact O-CA 3.29Å; I7-D38 WeakPolarHBondContact O-CA 3.49Å; I7-I39 WeakPolarHBondContact O-CG1 3.4Å; I7-I39 PolarHBondContact O-N 2.82Å
8A98.1Very high96.3Very high11 Ų1156.6 Ų56.69%0.09134%0.34CS..  trans-111103.2166.900000109S10 S11 Q20 I39 A40 P66A8-S10 VanDerWaalsContact C-N 3.29Å; A8-S10 PolarHBondContact O-N 3.49Å; A8-S11 WeakPolarHBondContact O-CB 3.33Å; A8-S11 PolarHBondContact O-N 3.23Å; A8-Q20 PolarHBondContact O-NE2 3.26Å; A8-Q20 VanDerWaalsContact O-NE2 3.08Å; A8-Q20 PolarHBondContact O-OE1 3.08Å; A8-I39 HydrophobicContact CB-CD1 4.49Å; A8-I39 HydrophobicContact CB-CG1 4.03Å; A8-A40 HydrophobicContact CB-CB 4.06Å; A8-P66 HydrophobicContact CB-CG 3.64Å
9S96.2Very high96.4Very high69 Ų6957.3 Ų57.348%0.48334%0.338SS..THydrogen-bonded Turntrans-61.9-38.2-17765.20000112D38S9-D38 VanDerWaalsContact CB-OD2 3.28Å; S9-D38 WeakPolarHBondContact CB-OD2 3.41Å; S9-D38 PolarHBondContact N-OD1 3.32Å; S9-D38 VanDerWaalsContact OG-CG 3.25Å; S9-D38 PolarHBondContact OG-OD1 2.94Å; S9-D38 PolarHBondContact OG-OD2 3.26Å
10S94.8Very high96.5Very high88 Ų8855 Ų5562%0.61532%0.324SS*.THydrogen-bonded Turntrans-100.529179.962.20000114A8 G12 A40A8-S10 VanDerWaalsContact C-N 3.29Å; A8-S10 PolarHBondContact O-N 3.49Å; S10-G12 PolarHBondContact O-N 2.97Å; S10-A40 WeakPolarHBondContact OG-CB 3.47Å
11S93.6Very high96.6Very high17 Ų1758.8 Ų58.812%0.11934%0.338CS..  trans-55.9138.5175.4-177.90000112.1A8 S13 I16 K17A8-S11 WeakPolarHBondContact O-CB 3.33Å; A8-S11 PolarHBondContact O-N 3.23Å; S11-S13 VanDerWaalsContact C-N 3.34Å; S11-S13 PolarHBondContact OG-N 3.47Å; S11-I16 WeakPolarHBondContact OG-CG2 3.28Å; S11-K17 WeakPolarHBondContact O-CE 3.07Å; S11-K17 PolarHBondContact O-NZ 3.4Å; S11-K17 VanDerWaalsContact O-NZ 3.14Å
12G95.2Very high97.3Very high84 Ų8453.7 Ų53.787%0.86632%0.315SS*.SBendtrans-80.7-14.6171.500000113.6S10S10-G12 PolarHBondContact O-N 2.97Å
13S97.1Very high97.6Very high45 Ų4551.3 Ų51.332%0.31530%0.3SS..  trans-93.3117.3-175.7172.40000111.5S11 A15 I16 K17S11-S13 VanDerWaalsContact C-N 3.34Å; S11-S13 PolarHBondContact OG-N 3.47Å; S13-A15 PolarHBondContact O-N 3.09Å; S13-A15 PolarHBondContact OG-N 3.48Å; S13-I16 PolarHBondContact O-N 3.38Å; S13-I16 PolarHBondContact OG-N 2.99Å; S13-K17 PolarHBondContact O-N 2.68Å
14T97.3Very high97.6Very high96 Ų9652.1 Ų52.159%0.58930%0.304SS*.Hα-helixtrans-58.6-35.7173.5-55.80000111.9K17 K18T14-K17 PolarHBondContact O-N 2.79Å; T14-K18 HydrophobicContact CG2-CD 4.47Å; T14-K18 WeakPolarHBondContact O-CG 3.13Å; T14-K18 PolarHBondContact O-N 3.11Å
15A97.5Very high97.6Very high61 Ų6150.2 Ų50.250%0.50431%0.306SS..Hα-helixtrans-63.6-45.1177.700000111.3S13 K18 K19S13-A15 PolarHBondContact O-N 3.09Å; S13-A15 PolarHBondContact OG-N 3.48Å; A15-K18 PolarHBondContact O-N 3.41Å; A15-K19 WeakPolarHBondContact O-CG 3.38Å; A15-K19 PolarHBondContact O-N 3.31Å
16I97.8Very high97.6Very high27 Ų2751.6 Ų51.614%0.13831%0.312CS..Hα-helixtrans-62.1-45.1176.3-69.8178.2000110.7S11 S13 K18 K19 Q20 L65 P66S11-I16 WeakPolarHBondContact OG-CG2 3.28Å; S13-I16 PolarHBondContact O-N 3.38Å; S13-I16 PolarHBondContact OG-N 2.99Å; I16-K18 VanDerWaalsContact C-N 3.33Å; I16-K18 PolarHBondContact O-N 3Å; I16-K19 PolarHBondContact O-N 2.78Å; I16-Q20 HydrophobicContact CG2-CG 4.34Å; I16-Q20 WeakPolarHBondContact O-CG 3.28Å; I16-Q20 PolarHBondContact O-N 3.07Å; I16-L65 HydrophobicContact CD1-CB 4.4Å; I16-L65 HydrophobicContact CD1-CD1 4.24Å; I16-P66 HydrophobicContact CG2-CG 3.9Å
17K98.1Very high97.5Very high90 Ų9051.3 Ų51.339%0.39131%0.311SS..Hα-helixtrans-57.7-45177.3-70-174.1-171.9178.60112.2S11 S13 T14 Q20 Q21S11-K17 WeakPolarHBondContact O-CE 3.07Å; S11-K17 PolarHBondContact O-NZ 3.4Å; S11-K17 VanDerWaalsContact O-NZ 3.14Å; S13-K17 PolarHBondContact O-N 2.68Å; T14-K17 PolarHBondContact O-N 2.79Å; K17-Q20 PolarHBondContact O-N 3.41Å; K17-Q21 WeakPolarHBondContact O-CB 3.29Å; K17-Q21 WeakPolarHBondContact O-CG 3.47Å; K17-Q21 PolarHBondContact O-N 2.67Å
18K98.4Very high97.5Very high140 Ų14056.7 Ų56.761%0.60934%0.337SS*.Hα-helixtrans-64-44.8177.9-74.7-177.1175.8-173.70112T14 A15 I16 Q20 Q21 D22T14-K18 HydrophobicContact CG2-CD 4.47Å; T14-K18 WeakPolarHBondContact O-CG 3.13Å; T14-K18 PolarHBondContact O-N 3.11Å; A15-K18 PolarHBondContact O-N 3.41Å; I16-K18 VanDerWaalsContact C-N 3.33Å; I16-K18 PolarHBondContact O-N 3Å; K18-Q20 VanDerWaalsContact C-N 3.35Å; K18-Q20 PolarHBondContact O-N 2.88Å; K18-Q21 PolarHBondContact O-N 3.02Å; K18-D22 WeakPolarHBondContact O-CB 3.43Å; K18-D22 PolarHBondContact O-N 3.22Å
19K98.6Very high97.4Very high70 Ų7060.1 Ų60.130%0.30437%0.365SS..Hα-helixtrans-59.3-45176.2-74.3-171.5168.5-155.90111.6A15 I16 D22 V23 P67 Y79 D80A15-K19 WeakPolarHBondContact O-CG 3.38Å; A15-K19 PolarHBondContact O-N 3.31Å; I16-K19 PolarHBondContact O-N 2.78Å; K19-D22 PolarHBondContact O-N 2.84Å; K19-V23 WeakPolarHBondContact O-CG2 3.11Å; K19-V23 PolarHBondContact O-N 3.43Å; K19-P67 HydrophobicContact CB-CG 4.29Å; K19-Y79 HydrophobicContact CB-CD1 4.34Å; K19-Y79 HydrophobicContact CB-CD2 3.52Å; K19-Y79 HydrophobicContact CB-CE2 3.98Å; K19-Y79 HydrophobicContact CB-CG 3.71Å; K19-Y79 HydrophobicContact CD-CD1 3.51Å; K19-Y79 HydrophobicContact CD-CD2 4.25Å; K19-Y79 HydrophobicContact CD-CE1 4.14Å; K19-Y79 HydrophobicContact CD-CG 3.56Å; K19-Y79 VanDerWaalsContact CE-CD1 3.4Å; K19-Y79 HydrophobicContact CG-CD1 3.67Å; K19-Y79 HydrophobicContact CG-CD2 3.73Å; K19-Y79 HydrophobicContact CG-CE1 3.9Å; K19-Y79 HydrophobicContact CG-CE2 3.96Å; K19-Y79 HydrophobicContact CG-CG 3.56Å; K19-Y79 WeakPolarHBondContact O-CD2 3.42Å; K19-D80 IonicContact NZ-OD1 3.9Å; K19-D80 PolarHBondContact NZ-OD1 3.43Å
20Q98.7Very high97.3Very high12 Ų1259.9 Ų59.96%0.05636%0.358CS..Hα-helixtrans-60.9-50.9175.2-70.6171-170.900111.3I7 A8 I16 K17 K18 D22 V23 L24 P66 P67I7-Q20 HydrophobicContact CB-CG 4.17Å; I7-Q20 HydrophobicContact CG2-CB 4.27Å; I7-Q20 HydrophobicContact CG2-CG 4Å; A8-Q20 PolarHBondContact O-NE2 3.26Å; A8-Q20 VanDerWaalsContact O-NE2 3.08Å; A8-Q20 PolarHBondContact O-OE1 3.08Å; I16-Q20 HydrophobicContact CG2-CG 4.34Å; I16-Q20 WeakPolarHBondContact O-CG 3.28Å; I16-Q20 PolarHBondContact O-N 3.07Å; K17-Q20 PolarHBondContact O-N 3.41Å; K18-Q20 VanDerWaalsContact C-N 3.35Å; K18-Q20 PolarHBondContact O-N 2.88Å; Q20-D22 VanDerWaalsContact C-N 3.29Å; Q20-D22 PolarHBondContact O-N 3.05Å; Q20-V23 PolarHBondContact O-N 2.83Å; Q20-L24 VanDerWaalsContact O-CG 3.26Å; Q20-L24 WeakPolarHBondContact O-CG 3.29Å; Q20-L24 PolarHBondContact O-N 3.48Å; Q20-P66 HydrophobicContact CG-CB 4.39Å; Q20-P66 VanDerWaalsContact OE1-CG 3.24Å; Q20-P67 HydrophobicContact CG-CB 4.06Å; Q20-P67 HydrophobicContact CG-CG 4.37Å
21Q98.3Very high97.3Very high134 Ų13465 Ų6563%0.62637%0.369SS*.Hα-helixtrans-60.2-36.9-179.8-77.4177.1-25.300112.9K17 K18 G25K17-Q21 WeakPolarHBondContact O-CB 3.29Å; K17-Q21 WeakPolarHBondContact O-CG 3.47Å; K17-Q21 PolarHBondContact O-N 2.67Å; K18-Q21 PolarHBondContact O-N 3.02Å; Q21-G25 WeakPolarHBondContact O-CA 3.48Å; Q21-G25 PolarHBondContact O-N 3.32Å
22D98.4Very high97.4Very high48 Ų4865 Ų6526%0.25737%0.368SS..Hα-helixtrans-68-41.5178-173.347000111.8K18 K19 Q20 F26 Y79 R86K18-D22 WeakPolarHBondContact O-CB 3.43Å; K18-D22 PolarHBondContact O-N 3.22Å; K19-D22 PolarHBondContact O-N 2.84Å; Q20-D22 VanDerWaalsContact C-N 3.29Å; Q20-D22 PolarHBondContact O-N 3.05Å; D22-F26 VanDerWaalsContact O-CB 3.29Å; D22-F26 WeakPolarHBondContact O-CB 3.13Å; D22-F26 PolarHBondContact O-N 2.8Å; D22-Y79 HydrophobicContact CB-CE2 4.08Å; D22-Y79 PolarHBondContact OD2-OH 3.05Å; D22-R86 VanDerWaalsContact CG-NH1 3.28Å; D22-R86 IonicContact OD1-CZ 3.9Å; D22-R86 IonicContact OD1-NH1 2.77Å; D22-R86 PolarHBondContact OD1-NH1 3.32Å; D22-R86 IonicContact OD2-NH1 3.05Å; D22-R86 PolarHBondContact OD2-NH1 2.97Å
23V98.6Very high97.4Very high1 Ų163.8 Ų63.81%0.00636%0.355CS..Hα-helixtrans-63-52.6173.71740000110.8V5 K19 Q20 F26 L27 P67 I69 Y79 F82V5-V23 HydrophobicContact CG1-CG1 3.94Å; V5-V23 HydrophobicContact CG2-CG1 4.19Å; K19-V23 WeakPolarHBondContact O-CG2 3.11Å; K19-V23 PolarHBondContact O-N 3.43Å; Q20-V23 PolarHBondContact O-N 2.83Å; V23-F26 PolarHBondContact O-N 3.2Å; V23-L27 HydrophobicContact CG1-CD1 4.23Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 2.86Å; V23-L27 VanDerWaalsContact O-N 3.12Å; V23-P67 HydrophobicContact CB-CG 4.49Å; V23-P67 HydrophobicContact CG2-CB 4.33Å; V23-P67 HydrophobicContact CG2-CG 3.82Å; V23-I69 HydrophobicContact CG1-CD1 3.85Å; V23-I69 HydrophobicContact CG1-CG1 4.09Å; V23-I69 HydrophobicContact CG2-CD1 4.21Å; V23-Y79 HydrophobicContact CG2-CD2 3.91Å; V23-F82 HydrophobicContact CG2-CB 4.49Å; V23-F82 HydrophobicContact CG2-CD1 3.65Å; V23-F82 HydrophobicContact CG2-CD2 4.5Å; V23-F82 HydrophobicContact CG2-CE1 3.93Å; V23-F82 HydrophobicContact CG2-CG 3.96Å; V23-F82 HydrophobicContact CG2-CZ 4.46Å
24L98.6Very high97.5Very high19 Ų1963.9 Ų63.910%0.09935%0.35CS..Hα-helixtrans-61.8-47.7-178.3-61.9177.7000111.2V5 I7 Q20 F26 L27 E28 F34 E36V5-L24 HydrophobicContact CB-CD2 3.91Å; V5-L24 HydrophobicContact CG1-CD2 4.02Å; V5-L24 HydrophobicContact CG2-CD2 4.15Å; I7-L24 HydrophobicContact CG2-CD1 4.3Å; I7-L24 HydrophobicContact CG2-CD2 4.33Å; Q20-L24 VanDerWaalsContact O-CG 3.26Å; Q20-L24 WeakPolarHBondContact O-CG 3.29Å; Q20-L24 PolarHBondContact O-N 3.48Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 3.07Å; L24-L27 PolarHBondContact O-N 3.31Å; L24-L27 VanDerWaalsContact O-N 3.1Å; L24-E28 WeakPolarHBondContact O-CG 3.24Å; L24-E28 PolarHBondContact O-N 3.43Å; L24-F34 HydrophobicContact CD2-CD2 4.03Å; L24-F34 HydrophobicContact CD2-CE2 3.56Å; L24-F34 HydrophobicContact CD2-CZ 4.27Å; L24-E36 HydrophobicContact CD1-CG 4.27Å; L24-E36 HydrophobicContact CD2-CG 3.82Å
25G98.4Very high97.5Very high30 Ų3063 Ų6331%0.30934%0.339SS..Hα-helixtrans-62.4-35.6179.200000112.8Q21 A29Q21-G25 WeakPolarHBondContact O-CA 3.48Å; Q21-G25 PolarHBondContact O-N 3.32Å; G25-A29 WeakPolarHBondContact O-CB 3.22Å; G25-A29 PolarHBondContact O-N 2.9Å
26F97.6Very high97.6Very high29 Ų2964.9 Ų64.913%0.12734%0.338CS..Hα-helixtrans-62.8-47.4172177.8-83.7000111.7D22 V23 L24 A29 N30 I32 F82 V91D22-F26 VanDerWaalsContact O-CB 3.29Å; D22-F26 WeakPolarHBondContact O-CB 3.13Å; D22-F26 PolarHBondContact O-N 2.8Å; V23-F26 PolarHBondContact O-N 3.2Å; L24-F26 VanDerWaalsContact C-N 3.3Å; L24-F26 PolarHBondContact O-N 3.07Å; F26-A29 PolarHBondContact O-N 3.44Å; F26-N30 HydrophobicContact CE1-CB 4.44Å; F26-N30 WeakPolarHBondContact CE2-ND2 3.49Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.48Å; F26-N30 WeakPolarHBondContact O-CB 3.4Å; F26-N30 PolarHBondContact O-N 2.93Å; F26-N30 PolarHBondContact O-ND2 2.89Å; F26-I32 HydrophobicContact CE1-CD1 4.08Å; F26-F82 HydrophobicContact CB-CE2 4.33Å; F26-F82 HydrophobicContact CB-CZ 3.67Å; F26-F82 AromaticContact CD1-CE2 3.86Å; F26-F82 HydrophobicContact CD1-CE2 3.86Å; F26-F82 AromaticContact CD1-CZ 3.99Å; F26-F82 HydrophobicContact CD1-CZ 3.99Å; F26-F82 HydrophobicContact CD2-CZ 4.16Å; F26-F82 HydrophobicContact CE1-CE2 4.4Å; F26-F82 HydrophobicContact CG-CE2 4.03Å; F26-F82 AromaticContact CG-CZ 3.66Å; F26-F82 HydrophobicContact CG-CZ 3.66Å; F26-V91 HydrophobicContact CD1-CG1 4.16Å; F26-V91 HydrophobicContact CE1-CB 4.01Å; F26-V91 HydrophobicContact CE1-CG1 3.42Å; F26-V91 VanDerWaalsContact CE1-CG1 3.42Å; F26-V91 HydrophobicContact CE1-CG2 4.35Å; F26-V91 HydrophobicContact CE2-CG2 4.33Å; F26-V91 HydrophobicContact CZ-CB 3.83Å; F26-V91 HydrophobicContact CZ-CG1 3.77Å; F26-V91 HydrophobicContact CZ-CG2 3.85Å
27L97.7Very high97.6Very high1 Ų166.1 Ų66.11%0.00534%0.342CS..Hα-helixtrans-62.9-43.9-179.1-63.1172.4000110.9I3 V5 V23 L24 N30 K31 I32 F34 L95I3-L27 HydrophobicContact CG2-CD1 4.08Å; V5-L27 HydrophobicContact CG2-CD1 3.54Å; V23-L27 HydrophobicContact CG1-CD1 4.23Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 2.86Å; V23-L27 VanDerWaalsContact O-N 3.12Å; L24-L27 PolarHBondContact O-N 3.31Å; L24-L27 VanDerWaalsContact O-N 3.1Å; L27-N30 CarbonylContact O-C 3.6Å; L27-N30 PolarHBondContact O-N 3.09Å; L27-K31 PolarHBondContact O-N 2.87Å; L27-K31 VanDerWaalsContact O-N 3.11Å; L27-I32 HydrophobicContact CB-CB 4.34Å; L27-I32 HydrophobicContact CD2-CB 4.02Å; L27-I32 HydrophobicContact CD2-CD1 3.89Å; L27-I32 HydrophobicContact CD2-CG2 3.86Å; L27-I32 PolarHBondContact O-N 3.2Å; L27-F34 HydrophobicContact CB-CD1 3.42Å; L27-F34 VanDerWaalsContact CB-CD1 3.42Å; L27-F34 HydrophobicContact CB-CE1 3.66Å; L27-F34 HydrophobicContact CB-CG 4.15Å; L27-F34 HydrophobicContact CD1-CB 3.87Å; L27-F34 HydrophobicContact CD1-CD1 3.91Å; L27-F34 HydrophobicContact CD1-CD2 4.25Å; L27-F34 HydrophobicContact CD1-CG 3.74Å; L27-F34 HydrophobicContact CG-CD1 4.29Å; L27-L95 HydrophobicContact CD2-CD1 3.61Å
28E97.6Very high97.6Very high119 Ų11963.3 Ų63.356%0.55633%0.331SS*.Hα-helixtrans-60.5-50.3174.9-70.6178.7178.100112.2L24 N30 K31 F34L24-E28 WeakPolarHBondContact O-CG 3.24Å; L24-E28 PolarHBondContact O-N 3.43Å; E28-N30 PolarHBondContact O-N 2.91Å; E28-K31 PolarHBondContact O-N 2.8Å; E28-F34 HydrophobicContact CG-CE1 3.6Å; E28-F34 HydrophobicContact CG-CZ 3.68Å
29A96.5Very high97.6Very high83 Ų8357.3 Ų57.369%0.68631%0.306SS*.Hα-helixtrans-61.5-33.5-178.400000112.4G25 F26 K31G25-A29 WeakPolarHBondContact O-CB 3.22Å; G25-A29 PolarHBondContact O-N 2.9Å; F26-A29 PolarHBondContact O-N 3.44Å; A29-K31 VanDerWaalsContact C-N 3.33Å
30N94.6Very high97.5Very high63 Ų6355.7 Ų55.734%0.33731%0.306SS..THydrogen-bonded Turntrans-89.64.4177.2-72.9-86.5000113.4F26 L27 E28 I32 Y92F26-N30 HydrophobicContact CE1-CB 4.44Å; F26-N30 WeakPolarHBondContact CE2-ND2 3.49Å; F26-N30 WeakPolarHBondContact CZ-ND2 3.48Å; F26-N30 WeakPolarHBondContact O-CB 3.4Å; F26-N30 PolarHBondContact O-N 2.93Å; F26-N30 PolarHBondContact O-ND2 2.89Å; L27-N30 CarbonylContact O-C 3.6Å; L27-N30 PolarHBondContact O-N 3.09Å; E28-N30 PolarHBondContact O-N 2.91Å; N30-I32 HydrophobicContact CB-CD1 3.87Å; N30-I32 HydrophobicContact CB-CG1 3.97Å; N30-I32 PolarHBondContact O-N 3.06Å; N30-Y92 PolarHBondContact OD1-OH 3.16Å
31K94.7Very high97.4Very high195 Ų19559.3 Ų59.385%0.84834%0.338SS*.THydrogen-bonded Turntrans54.433.5-178-55.4178.2179.9-1090113.1L27 E28 A29L27-K31 PolarHBondContact O-N 2.87Å; L27-K31 VanDerWaalsContact O-N 3.11Å; E28-K31 PolarHBondContact O-N 2.8Å; A29-K31 VanDerWaalsContact C-N 3.33Å
32I95.9Very high97.4Very high18 Ų1855.9 Ų55.99%0.09232%0.324CS..  trans-79.9128174.2-63.2168.4000107.2I3 F26 L27 N30 F34 Y92 L95 L97I3-I32 HydrophobicContact CG1-CG2 4.09Å; F26-I32 HydrophobicContact CE1-CD1 4.08Å; L27-I32 HydrophobicContact CB-CB 4.34Å; L27-I32 HydrophobicContact CD2-CB 4.02Å; L27-I32 HydrophobicContact CD2-CD1 3.89Å; L27-I32 HydrophobicContact CD2-CG2 3.86Å; L27-I32 PolarHBondContact O-N 3.2Å; N30-I32 HydrophobicContact CB-CD1 3.87Å; N30-I32 HydrophobicContact CB-CG1 3.97Å; N30-I32 PolarHBondContact O-N 3.06Å; I32-F34 WeakPolarHBondContact O-CD1 3.44Å; I32-F34 PolarHBondContact O-N 3.41Å; I32-Y92 HydrophobicContact CD1-CD1 4.32Å; I32-Y92 HydrophobicContact CD1-CE1 3.7Å; I32-Y92 HydrophobicContact CG1-CE1 3.95Å; I32-L95 HydrophobicContact CD1-CD1 3.98Å; I32-L97 HydrophobicContact CG2-CD1 3.74Å
33G96.2Very high97.4Very high59 Ų5960 Ų6061%0.60834%0.341SS*.  trans-70.6124174.900000111.2
34F98.2Very high97.4Very high46 Ų4667 Ų6720%0.20237%0.374CS..EExtended strand (participates in β ladder)trans-142.5163.1177.470.7-85.6000112.9I3 V5 L24 L27 E28 I32 E36I3-F34 HydrophobicContact CB-CB 3.94Å; I3-F34 HydrophobicContact CG2-CB 4.22Å; I3-F34 CarbonylContact O-C 3.4Å; I3-F34 WeakPolarHBondContact O-CA 3.49Å; I3-F34 VanDerWaalsContact O-CB 3.28Å; I3-F34 WeakPolarHBondContact O-CB 3.36Å; V5-F34 HydrophobicContact CG2-CD2 4.46Å; L24-F34 HydrophobicContact CD2-CD2 4.03Å; L24-F34 HydrophobicContact CD2-CE2 3.56Å; L24-F34 HydrophobicContact CD2-CZ 4.27Å; L27-F34 HydrophobicContact CB-CD1 3.42Å; L27-F34 VanDerWaalsContact CB-CD1 3.42Å; L27-F34 HydrophobicContact CB-CE1 3.66Å; L27-F34 HydrophobicContact CB-CG 4.15Å; L27-F34 HydrophobicContact CD1-CB 3.87Å; L27-F34 HydrophobicContact CD1-CD1 3.91Å; L27-F34 HydrophobicContact CD1-CD2 4.25Å; L27-F34 HydrophobicContact CD1-CG 3.74Å; L27-F34 HydrophobicContact CG-CD1 4.29Å; E28-F34 HydrophobicContact CG-CE1 3.6Å; E28-F34 HydrophobicContact CG-CZ 3.68Å; I32-F34 WeakPolarHBondContact O-CD1 3.44Å; I32-F34 PolarHBondContact O-N 3.41Å; F34-E36 HydrophobicContact CD2-CG 4.25Å; F34-E36 HydrophobicContact CE2-CG 3.76Å
35E98.2Very high97.3Very high78 Ų7867 Ų6736%0.36437%0.374SS..EExtended strand (participates in β ladder)trans-116.7133.6171.4-67.7175.8177.500110V2 I3 R4 V5 K37V2-E35 HydrophobicContact CG1-CG 3.81Å; I3-E35 PolarHBondContact O-N 3.42Å; R4-E35 WeakPolarHBondContact CA-O 3.37Å; R4-E35 HydrophobicContact CG-CB 4.3Å; R4-E35 IonicContact NE-OE2 3.28Å; R4-E35 PolarHBondContact NE-OE2 2.95Å; V5-E35 PolarHBondContact N-O 2.9Å; E35-K37 HydrophobicContact CB-CD 4.31Å
36E98.2Very high97.3Very high101 Ų10168.9 Ų68.947%0.47237%0.372SS..EExtended strand (participates in β ladder)trans-83.1123.8166.5-65.6-173.6-13300110.2I7 L24 F34I7-E36 HydrophobicContact CG1-CB 4.26Å; L24-E36 HydrophobicContact CD1-CG 4.27Å; L24-E36 HydrophobicContact CD2-CG 3.82Å; F34-E36 HydrophobicContact CD2-CG 4.25Å; F34-E36 HydrophobicContact CE2-CG 3.76Å
37K98.4Very high97.3Very high53 Ų5373.4 Ų73.423%0.2339%0.391CS..EExtended strand (participates in β ladder)trans-111.288.9177-55.7-60.8-67-174.90108.5R4 V5 Y6 I7 E35 I39 N45R4-K37 HydrophobicContact CB-CG 4.11Å; R4-K37 HydrophobicContact CG-CG 4.35Å; V5-K37 PolarHBondContact O-N 3.15Å; Y6-K37 VanDerWaalsContact CA-O 3.31Å; Y6-K37 WeakPolarHBondContact CA-O 3.31Å; Y6-K37 HydrophobicContact CD1-CB 3.57Å; Y6-K37 HydrophobicContact CD2-CB 4.15Å; Y6-K37 HydrophobicContact CD2-CG 4.44Å; Y6-K37 HydrophobicContact CE1-CB 3.59Å; Y6-K37 HydrophobicContact CE1-CG 4.22Å; Y6-K37 HydrophobicContact CE2-CB 4.13Å; Y6-K37 HydrophobicContact CE2-CG 4.1Å; Y6-K37 HydrophobicContact CG-CB 3.87Å; I7-K37 PolarHBondContact N-O 3.23Å; I7-K37 VanDerWaalsContact N-O 3.14Å; E35-K37 HydrophobicContact CB-CD 4.31Å; K37-I39 PolarHBondContact O-N 3.43Å; K37-N45 WeakPolarHBondContact CE-OD1 3.01Å
38D98.4Very high97.4Very high31 Ų3176.5 Ų76.517%0.16640%0.403CS..EExtended strand (participates in β ladder)trans-67122.5-178.4-173.312.9000111.2I7 S9 A40 A41 N42 N45I7-D38 HydrophobicContact CD1-CB 4.1Å; I7-D38 CarbonylContact O-C 3.5Å; I7-D38 VanDerWaalsContact O-CA 3.29Å; I7-D38 WeakPolarHBondContact O-CA 3.49Å; S9-D38 VanDerWaalsContact CB-OD2 3.28Å; S9-D38 WeakPolarHBondContact CB-OD2 3.41Å; S9-D38 PolarHBondContact N-OD1 3.32Å; S9-D38 VanDerWaalsContact OG-CG 3.25Å; S9-D38 PolarHBondContact OG-OD1 2.94Å; S9-D38 PolarHBondContact OG-OD2 3.26Å; D38-A40 WeakPolarHBondContact OD1-CB 3.48Å; D38-A40 PolarHBondContact OD1-N 3.01Å; D38-A41 VanDerWaalsContact OD2-CB 3.26Å; D38-A41 WeakPolarHBondContact OD2-CB 3.41Å; D38-A41 PolarHBondContact OD2-N 3.28Å; D38-N42 VanDerWaalsContact O-CB 3.29Å; D38-N42 WeakPolarHBondContact O-CB 3.41Å; D38-N45 WeakPolarHBondContact O-CB 3.47Å; D38-N45 PolarHBondContact O-ND2 3.3Å
39I98.2Very high97.4Very high14 Ų1470.9 Ų70.97%0.07238%0.376CS..THydrogen-bonded Turntrans-94.6-12.6177.672.1177.3000112.7Y6 I7 A8 K37 N45 R46 M49 P66Y6-I39 HydrophobicContact CD1-CG2 3.63Å; Y6-I39 HydrophobicContact CG-CG2 4.35Å; I7-I39 WeakPolarHBondContact O-CG1 3.4Å; I7-I39 PolarHBondContact O-N 2.82Å; A8-I39 HydrophobicContact CB-CD1 4.49Å; A8-I39 HydrophobicContact CB-CG1 4.03Å; K37-I39 PolarHBondContact O-N 3.43Å; I39-N45 HydrophobicContact CG2-CB 4.25Å; I39-R46 HydrophobicContact CB-CB 3.85Å; I39-R46 HydrophobicContact CB-CG 4.23Å; I39-R46 HydrophobicContact CG2-CB 4.42Å; I39-M49 HydrophobicContact CD1-CE 3.96Å; I39-M49 HydrophobicContact CD1-SD 3.99Å; I39-M49 HydrophobicContact CG2-SD 4.09Å; I39-P66 HydrophobicContact CD1-CB 4.35Å; I39-P66 HydrophobicContact CD1-CG 3.98Å
40A97.1Very high97.4Very high36 Ų3670.5 Ų70.530%0.29836%0.357SS..THydrogen-bonded Turntrans-80.7-41.7-179.800000110.9A8 S10 D38A8-A40 HydrophobicContact CB-CB 4.06Å; S10-A40 WeakPolarHBondContact OG-CB 3.47Å; D38-A40 WeakPolarHBondContact OD1-CB 3.48Å; D38-A40 PolarHBondContact OD1-N 3.01Å
41A96.6Very high97.5Very high88 Ų8873 Ų7373%0.72737%0.367SS*.THydrogen-bonded Turntrans-93-19176.900000114.4D38D38-A41 VanDerWaalsContact OD2-CB 3.26Å; D38-A41 WeakPolarHBondContact OD2-CB 3.41Å; D38-A41 PolarHBondContact OD2-N 3.28Å
42N98Very high97.6Very high62 Ų6266.6 Ų66.633%0.33234%0.342SS..  trans-124114.7-177-175.1-43.3000111.7D38 E44 N45 R46D38-N42 VanDerWaalsContact O-CB 3.29Å; D38-N42 WeakPolarHBondContact O-CB 3.41Å; N42-E44 WeakPolarHBondContact OD1-CA 3.35Å; N42-E44 WeakPolarHBondContact OD1-CB 3.48Å; N42-E44 PolarHBondContact OD1-N 3.43Å; N42-N45 HydrophobicContact CB-CB 4.22Å; N42-N45 PolarHBondContact OD1-N 2.92Å; N42-R46 PolarHBondContact O-N 3.08Å; N42-R46 VanDerWaalsContact O-N 3.16Å
43E97.3Very high97.7Very high133 Ų13365.8 Ų65.862%0.62134%0.338SS*.Hα-helixtrans-72.3-32.7-178179154.2-130.500113.5R46 K47E43-R46 WeakPolarHBondContact O-CB 3.44Å; E43-R46 PolarHBondContact O-N 3.31Å; E43-R46 IonicContact OE1-CZ 3.96Å; E43-R46 IonicContact OE1-NH2 2.82Å; E43-R46 PolarHBondContact OE1-NH2 2.98Å; E43-K47 WeakPolarHBondContact O-CB 3.28Å; E43-K47 PolarHBondContact O-N 3.37Å
44E98.4Very high97.7Very high149 Ų14965.1 Ų65.170%0.69632%0.323SS*.Hα-helixtrans-63.4-45.5175.7-172.9-177.7-178.200110.4N42 R46 K47 W48N42-E44 WeakPolarHBondContact OD1-CA 3.35Å; N42-E44 WeakPolarHBondContact OD1-CB 3.48Å; N42-E44 PolarHBondContact OD1-N 3.43Å; E44-R46 VanDerWaalsContact C-N 3.32Å; E44-R46 PolarHBondContact O-N 2.89Å; E44-K47 PolarHBondContact O-N 3.11Å; E44-W48 VanDerWaalsContact O-CB 3.22Å; E44-W48 WeakPolarHBondContact O-CB 3.35Å; E44-W48 PolarHBondContact O-N 2.94Å
45N98.2Very high97.5Very high18 Ų1870.8 Ų70.810%0.09635%0.35CS..Hα-helixtrans-58.4-45.5173.1-72.7-19.5000111.2Y6 K37 D38 I39 N42 M49Y6-N45 HydrophobicContact CD1-CB 4.18Å; Y6-N45 HydrophobicContact CE1-CB 3.84Å; Y6-N45 VanDerWaalsContact CE1-O 3.26Å; Y6-N45 WeakPolarHBondContact CE1-O 3.07Å; K37-N45 WeakPolarHBondContact CE-OD1 3.01Å; D38-N45 WeakPolarHBondContact O-CB 3.47Å; D38-N45 PolarHBondContact O-ND2 3.3Å; I39-N45 HydrophobicContact CG2-CB 4.25Å; N42-N45 HydrophobicContact CB-CB 4.22Å; N42-N45 PolarHBondContact OD1-N 2.92Å; N45-M49 VanDerWaalsContact O-CB 3.28Å; N45-M49 WeakPolarHBondContact O-CB 3.28Å; N45-M49 PolarHBondContact O-N 3.28Å
46R97.9Very high97.3Very high71 Ų7174 Ų7427%0.26837%0.37SS..Hα-helixtrans-61.3-46.3179.8-174171.764.1-150.94.1112.2I39 N42 E43 E44 R50I39-R46 HydrophobicContact CB-CB 3.85Å; I39-R46 HydrophobicContact CB-CG 4.23Å; I39-R46 HydrophobicContact CG2-CB 4.42Å; N42-R46 PolarHBondContact O-N 3.08Å; N42-R46 VanDerWaalsContact O-N 3.16Å; E43-R46 WeakPolarHBondContact O-CB 3.44Å; E43-R46 PolarHBondContact O-N 3.31Å; E43-R46 IonicContact OE1-CZ 3.96Å; E43-R46 IonicContact OE1-NH2 2.82Å; E43-R46 PolarHBondContact OE1-NH2 2.98Å; E44-R46 VanDerWaalsContact C-N 3.32Å; E44-R46 PolarHBondContact O-N 2.89Å; R46-R50 WeakPolarHBondContact O-CD 3.33Å; R46-R50 VanDerWaalsContact O-CG 3.27Å; R46-R50 WeakPolarHBondContact O-CG 3.42Å; R46-R50 PolarHBondContact O-N 2.81Å
47K97.8Very high97.1Very high124 Ų12471.3 Ų71.354%0.53936%0.362SS..Hα-helixtrans-64.8-51.7178.8-178.8-179.5172.4-1750110.2E43 E44 M49 R50 E51E43-K47 WeakPolarHBondContact O-CB 3.28Å; E43-K47 PolarHBondContact O-N 3.37Å; E44-K47 PolarHBondContact O-N 3.11Å; K47-M49 VanDerWaalsContact C-N 3.33Å; K47-M49 PolarHBondContact O-N 3.39Å; K47-R50 PolarHBondContact O-N 3.38Å; K47-R50 VanDerWaalsContact O-N 3.13Å; K47-E51 WeakPolarHBondContact CE-OE1 3.34Å; K47-E51 IonicContact NZ-OE1 2.77Å; K47-E51 WeakPolarHBondContact O-CG 3.5Å; K47-E51 PolarHBondContact O-N 2.97Å
48W98.2Very high96.9Very high66 Ų6674 Ų7425%0.2537%0.371CS..Hα-helixtrans-57-46.3-179.7-171.397.6000111.4Y6 E44 R50 E51 N52 F70Y6-W48 HydrophobicContact CE1-CE3 4.09Å; Y6-W48 AromaticContact CE2-CE3 3.9Å; Y6-W48 HydrophobicContact CE2-CE3 3.9Å; Y6-W48 AromaticContact CE2-CZ3 3.69Å; Y6-W48 HydrophobicContact CE2-CZ3 3.69Å; Y6-W48 AromaticContact CZ-CE3 3.38Å; Y6-W48 AromaticContact CZ-CZ3 3.67Å; Y6-W48 WeakPolarHBondContact OH-CZ3 3.29Å; E44-W48 VanDerWaalsContact O-CB 3.22Å; E44-W48 WeakPolarHBondContact O-CB 3.35Å; E44-W48 PolarHBondContact O-N 2.94Å; W48-R50 PolarHBondContact O-N 3.47Å; W48-E51 PolarHBondContact O-N 3.26Å; W48-N52 HydrophobicContact CD2-CB 4.36Å; W48-N52 VanDerWaalsContact CE2-ND2 3.26Å; W48-N52 HydrophobicContact CE3-CB 4.08Å; W48-N52 HydrophobicContact CH2-CB 3.82Å; W48-N52 HydrophobicContact CZ2-CB 4.11Å; W48-N52 HydrophobicContact CZ3-CB 3.81Å; W48-N52 PolarHBondContact NE1-ND2 3Å; W48-N52 WeakPolarHBondContact O-CB 3.42Å; W48-N52 PolarHBondContact O-N 3.02Å; W48-N52 PolarHBondContact O-ND2 3.41Å; W48-F70 AromaticContact CH2-CD1 3.74Å; W48-F70 HydrophobicContact CH2-CD1 3.74Å; W48-F70 AromaticContact CH2-CE1 3.9Å; W48-F70 HydrophobicContact CH2-CE1 3.9Å; W48-F70 HydrophobicContact CH2-CG 4.31Å; W48-F70 AromaticContact CZ3-CD1 3.75Å; W48-F70 HydrophobicContact CZ3-CD1 3.75Å; W48-F70 HydrophobicContact CZ3-CD2 4.27Å; W48-F70 AromaticContact CZ3-CE1 3.68Å; W48-F70 HydrophobicContact CZ3-CE1 3.68Å; W48-F70 HydrophobicContact CZ3-CE2 4.19Å; W48-F70 HydrophobicContact CZ3-CG 4.05Å; W48-F70 AromaticContact CZ3-CZ 3.9Å; W48-F70 HydrophobicContact CZ3-CZ 3.9Å
49M98Very high96.6Very high0 Ų075.2 Ų75.20%038%0.38CS..Hα-helixtrans-57.1-48.9177.2-175.2-157.871.900111.2Y6 I39 N45 K47 E51 N52 V53 P64 Q68 F70Y6-M49 HydrophobicContact CD1-CB 3.61Å; Y6-M49 HydrophobicContact CD1-CG 4.01Å; Y6-M49 HydrophobicContact CD1-SD 4.45Å; Y6-M49 HydrophobicContact CD2-CG 4.42Å; Y6-M49 HydrophobicContact CE1-CB 3.96Å; Y6-M49 HydrophobicContact CG-CB 3.97Å; Y6-M49 HydrophobicContact CG-CG 3.84Å; Y6-M49 HydrophobicContact CG-SD 4.24Å; I39-M49 HydrophobicContact CD1-CE 3.96Å; I39-M49 HydrophobicContact CD1-SD 3.99Å; I39-M49 HydrophobicContact CG2-SD 4.09Å; N45-M49 VanDerWaalsContact O-CB 3.28Å; N45-M49 WeakPolarHBondContact O-CB 3.28Å; N45-M49 PolarHBondContact O-N 3.28Å; K47-M49 VanDerWaalsContact C-N 3.33Å; K47-M49 PolarHBondContact O-N 3.39Å; M49-E51 VanDerWaalsContact C-N 3.31Å; M49-E51 PolarHBondContact O-N 3.28Å; M49-N52 PolarHBondContact O-N 3.38Å; M49-V53 HydrophobicContact CG-CG2 4.31Å; M49-V53 VanDerWaalsContact O-CG2 3.28Å; M49-V53 WeakPolarHBondContact O-CG2 3.36Å; M49-V53 PolarHBondContact O-N 3.49Å; M49-P64 HydrophobicContact CE-CB 4.4Å; M49-P64 WeakPolarHBondContact CE-O 3.38Å; M49-Q68 HydrophobicContact CG-CB 4.06Å; M49-Q68 HydrophobicContact CG-CG 4.25Å; M49-Q68 HydrophobicContact SD-CB 3.89Å; M49-Q68 HydrophobicContact SD-CG 3.7Å; M49-F70 HydrophobicContact CG-CE2 4.21Å
50R96.6Very high96.2Very high75 Ų7579.9 Ų79.928%0.28342%0.421SS..Hα-helixtrans-63.2-37.3-178.3-71.5169.2177.1-169.50.2112.6R46 K47 W48 R58 Y63R46-R50 WeakPolarHBondContact O-CD 3.33Å; R46-R50 VanDerWaalsContact O-CG 3.27Å; R46-R50 WeakPolarHBondContact O-CG 3.42Å; R46-R50 PolarHBondContact O-N 2.81Å; K47-R50 PolarHBondContact O-N 3.38Å; K47-R50 VanDerWaalsContact O-N 3.13Å; W48-R50 PolarHBondContact O-N 3.47Å; R50-R58 PolarHBondContact O-NH2 3.21Å; R50-Y63 HydrophobicContact CB-CD1 4.49Å; R50-Y63 VanDerWaalsContact CD-CD1 3.42Å; R50-Y63 HydrophobicContact CG-CD1 3.87Å; R50-Y63 HydrophobicContact CG-CG 4.38Å
51E96.7Very high95.9Very high116 Ų11684.1 Ų84.154%0.54244%0.443SS..Hα-helixtrans-72-33.9178.3-71.2174.3171.900112.2K47 W48 M49K47-E51 WeakPolarHBondContact CE-OE1 3.34Å; K47-E51 IonicContact NZ-OE1 2.77Å; K47-E51 WeakPolarHBondContact O-CG 3.5Å; K47-E51 PolarHBondContact O-N 2.97Å; W48-E51 PolarHBondContact O-N 3.26Å; M49-E51 VanDerWaalsContact C-N 3.31Å; M49-E51 PolarHBondContact O-N 3.28Å
52N97.7Very high95.6Very high60 Ų6083 Ų8332%0.32144%0.44SS..Hα-helixtrans-97.4-8-174.4-69.7-90.6000114.5W48 M49 P54 F70W48-N52 HydrophobicContact CD2-CB 4.36Å; W48-N52 VanDerWaalsContact CE2-ND2 3.26Å; W48-N52 HydrophobicContact CE3-CB 4.08Å; W48-N52 HydrophobicContact CH2-CB 3.82Å; W48-N52 HydrophobicContact CZ2-CB 4.11Å; W48-N52 HydrophobicContact CZ3-CB 3.81Å; W48-N52 PolarHBondContact NE1-ND2 3Å; W48-N52 WeakPolarHBondContact O-CB 3.42Å; W48-N52 PolarHBondContact O-N 3.02Å; W48-N52 PolarHBondContact O-ND2 3.41Å; M49-N52 PolarHBondContact O-N 3.38Å; N52-P54 WeakPolarHBondContact O-CD 3.38Å; N52-F70 HydrophobicContact CB-CE1 3.77Å; N52-F70 HydrophobicContact CB-CZ 4.14Å
53V97.8Very high95.4Very high1 Ų186.6 Ų86.61%0.00645%0.45CS..SBendtrans-71.7121165.2173.20000108.8M49 R58 P64 Q68 F70 Y75M49-V53 HydrophobicContact CG-CG2 4.31Å; M49-V53 VanDerWaalsContact O-CG2 3.28Å; M49-V53 WeakPolarHBondContact O-CG2 3.36Å; M49-V53 PolarHBondContact O-N 3.49Å; V53-R58 HydrophobicContact CG1-CG 4.05Å; V53-R58 PolarHBondContact O-NE 2.79Å; V53-R58 PolarHBondContact O-NH2 2.8Å; V53-P64 HydrophobicContact CB-CB 4.35Å; V53-P64 HydrophobicContact CB-CG 3.82Å; V53-P64 HydrophobicContact CG1-CB 4.13Å; V53-P64 HydrophobicContact CG1-CG 3.64Å; V53-P64 HydrophobicContact CG2-CB 4.02Å; V53-P64 HydrophobicContact CG2-CG 4.01Å; V53-Q68 HydrophobicContact CG2-CG 4.4Å; V53-F70 HydrophobicContact CG2-CE2 4.38Å; V53-F70 HydrophobicContact CG2-CZ 3.95Å; V53-Y75 HydrophobicContact CB-CE2 4.49Å; V53-Y75 HydrophobicContact CG1-CE2 4.29Å; V53-Y75 HydrophobicContact CG2-CD2 4.17Å; V53-Y75 HydrophobicContact CG2-CE2 3.81Å
54P96.4Very high95.3Very high46 Ų4680.6 Ų80.630%0.29942%0.423SS..  trans-56.8146.3177.9-26.736.9000112.4N52 N56 S57 R58 Y75N52-P54 WeakPolarHBondContact O-CD 3.38Å; P54-N56 VanDerWaalsContact C-N 3.28Å; P54-N56 WeakPolarHBondContact CB-OD1 3.45Å; P54-N56 PolarHBondContact O-N 2.86Å; P54-S57 PolarHBondContact O-N 3.32Å; P54-R58 WeakPolarHBondContact O-CG 2.85Å; P54-R58 PolarHBondContact O-N 2.8Å; P54-Y75 HydrophobicContact CG-CD1 3.58Å; P54-Y75 HydrophobicContact CG-CE1 4.36Å; P54-Y75 HydrophobicContact CG-CG 3.94Å
55E93.1Very high95.2Very high164 Ų16478.9 Ų78.977%0.76642%0.417SS*.G310 helixtrans-58.8-37.7-176-169.6170.5-170.800113.1S57 R58E55-S57 PolarHBondContact O-N 3.06Å; E55-R58 WeakPolarHBondContact O-CB 3.22Å; E55-R58 PolarHBondContact O-N 2.93Å; E55-R58 VanDerWaalsContact O-N 3.15Å
56N94Very high95.2Very high146 Ų14678.5 Ų78.578%0.78142%0.416SS*.G310 helixtrans-69.2-12176.466.9-41.3000114.3P54P54-N56 VanDerWaalsContact C-N 3.28Å; P54-N56 WeakPolarHBondContact CB-OD1 3.45Å; P54-N56 PolarHBondContact O-N 2.86Å
57S95Very high95.3Very high44 Ų4475.1 Ų75.131%0.30840%0.403SS..G310 helixtrans-107.13.7175.7-57.20000112.5P54 E55 Y75P54-S57 PolarHBondContact O-N 3.32Å; E55-S57 PolarHBondContact O-N 3.06Å; S57-Y75 WeakPolarHBondContact OG-CE1 3.27Å
58R93.6Very high95.3Very high110 Ų11069.4 Ų69.442%0.41538%0.379SS..SBendtrans-80.7145.4174.7-65.9-179.2-175.4175.7-0.5110.3R50 V53 P54 E55 P64R50-R58 PolarHBondContact O-NH2 3.21Å; V53-R58 HydrophobicContact CG1-CG 4.05Å; V53-R58 PolarHBondContact O-NE 2.79Å; V53-R58 PolarHBondContact O-NH2 2.8Å; P54-R58 WeakPolarHBondContact O-CG 2.85Å; P54-R58 PolarHBondContact O-N 2.8Å; E55-R58 WeakPolarHBondContact O-CB 3.22Å; E55-R58 PolarHBondContact O-N 2.93Å; E55-R58 VanDerWaalsContact O-N 3.15Å; R58-P64 HydrophobicContact CG-CG 4.04Å
59P91.9Very high95.3Very high57 Ų5766.3 Ų66.337%0.3737%0.367SS..  trans-64.9153.4173.529.1-34.6000110.5T61P59-T61 PolarHBondContact O-N 2.89Å; P59-T61 VanDerWaalsContact O-N 3.11Å
60A89.9Confident95.4Very high111 Ų11166.3 Ų66.392%0.91737%0.367SS*.SBendtrans-56.6-29.817800000113.1
61T89.9Confident95.4Very high126 Ų12663.3 Ų63.377%0.77336%0.356SS*.SBendtrans-136.5135.2175.363.20000110.6P59P59-T61 PolarHBondContact O-N 2.89Å; P59-T61 VanDerWaalsContact O-N 3.11Å
62G91.7Very high95.4Very high63 Ų6362.1 Ų62.165%0.64935%0.351SS*.SBendtrans88.1-157.1174.700000113.7
63Y93.8Very high95.3Very high138 Ų13863 Ų6354%0.54136%0.361SS..  trans-104.6151.9-176.7-63.2-74000111.1R50 L65R50-Y63 HydrophobicContact CB-CD1 4.49Å; R50-Y63 VanDerWaalsContact CD-CD1 3.42Å; R50-Y63 HydrophobicContact CG-CD1 3.87Å; R50-Y63 HydrophobicContact CG-CG 4.38Å; Y63-L65 PolarHBondContact O-N 3.11Å
64P95.5Very high95.2Very high8 Ų868.2 Ų68.25%0.05239%0.386CS..PPolyproline II helixtrans-50.2129.3168.3-24.633.3000110.7M49 V53 R58 Q68M49-P64 HydrophobicContact CE-CB 4.4Å; M49-P64 WeakPolarHBondContact CE-O 3.38Å; V53-P64 HydrophobicContact CB-CB 4.35Å; V53-P64 HydrophobicContact CB-CG 3.82Å; V53-P64 HydrophobicContact CG1-CB 4.13Å; V53-P64 HydrophobicContact CG1-CG 3.64Å; V53-P64 HydrophobicContact CG2-CB 4.02Å; V53-P64 HydrophobicContact CG2-CG 4.01Å; R58-P64 HydrophobicContact CG-CG 4.04Å; P64-Q68 HydrophobicContact CB-CG 4.32Å
65L96.4Very high95.3Very high112 Ų11267.9 Ų67.959%0.58638%0.379SS*.PPolyproline II helixtrans-96.3145.6-179.6-64.9178.2000110I16 Y63 Q68I16-L65 HydrophobicContact CD1-CB 4.4Å; I16-L65 HydrophobicContact CD1-CD1 4.24Å; Y63-L65 PolarHBondContact O-N 3.11Å; L65-Q68 PolarHBondContact O-NE2 3.42Å
66P97.9Very high95.6Very high10 Ų1063.1 Ų63.17%0.06535%0.354CS..SBendtrans-69.8158.7177.728-32.9000112.4Y6 A8 I16 Q20 I39Y6-P66 WeakPolarHBondContact O-CB 3.46Å; A8-P66 HydrophobicContact CB-CG 3.64Å; I16-P66 HydrophobicContact CG2-CG 3.9Å; Q20-P66 HydrophobicContact CG-CB 4.39Å; Q20-P66 VanDerWaalsContact OE1-CG 3.24Å; I39-P66 HydrophobicContact CD1-CB 4.35Å; I39-P66 HydrophobicContact CD1-CG 3.98Å
67P98.6Very high95.8Very high1 Ų156.3 Ų56.31%0.00632%0.318CS..PPolyproline II helixcis-73.3146.3-2.331.5-34.4000112.6V5 Y6 K19 Q20 V23 Y79V5-P67 HydrophobicContact CG1-CB 3.97Å; Y6-P67 WeakPolarHBondContact O-CA 3.39Å; K19-P67 HydrophobicContact CB-CG 4.29Å; Q20-P67 HydrophobicContact CG-CB 4.06Å; Q20-P67 HydrophobicContact CG-CG 4.37Å; V23-P67 HydrophobicContact CB-CG 4.49Å; V23-P67 HydrophobicContact CG2-CB 4.33Å; V23-P67 HydrophobicContact CG2-CG 3.82Å; P67-Y79 HydrophobicContact CG-CD2 4.35Å
68Q98.7Very high95.9Very high4 Ų456.5 Ų56.52%0.01932%0.316CS..EExtended strand (participates in β ladder)trans-125.7125.6170.3-65-67.2-34.400109.1Y6 M49 V53 P64 L65 F70 Y75 D78Y6-Q68 PolarHBondContact N-O 2.97Å; Y6-Q68 PolarHBondContact O-N 3.14Å; M49-Q68 HydrophobicContact CG-CB 4.06Å; M49-Q68 HydrophobicContact CG-CG 4.25Å; M49-Q68 HydrophobicContact SD-CB 3.89Å; M49-Q68 HydrophobicContact SD-CG 3.7Å; V53-Q68 HydrophobicContact CG2-CG 4.4Å; P64-Q68 HydrophobicContact CB-CG 4.32Å; L65-Q68 PolarHBondContact O-NE2 3.42Å; Q68-F70 HydrophobicContact CB-CE2 4.12Å; Q68-Y75 PolarHBondContact OE1-OH 2.81Å; Q68-D78 VanDerWaalsContact NE2-CB 3.34Å
69I98.8Very high96.2Very high1 Ų153.2 Ų53.21%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-108.4129.3-167.4-56.5158.4000109.4I3 V5 V23 R76 G77 F82 F94 L95I3-I69 HydrophobicContact CG2-CG2 4.09Å; V5-I69 HydrophobicContact CG1-CG1 4.35Å; V23-I69 HydrophobicContact CG1-CD1 3.85Å; V23-I69 HydrophobicContact CG1-CG1 4.09Å; V23-I69 HydrophobicContact CG2-CD1 4.21Å; I69-R76 HydrophobicContact CG2-CB 4.22Å; I69-R76 PolarHBondContact O-N 2.77Å; I69-G77 WeakPolarHBondContact CB-O 3.36Å; I69-G77 PolarHBondContact N-O 2.75Å; I69-G77 PolarHBondContact O-N 3.27Å; I69-F82 HydrophobicContact CD1-CB 3.69Å; I69-F82 HydrophobicContact CD1-CD2 4.23Å; I69-F82 HydrophobicContact CD1-CG 4.16Å; I69-F94 HydrophobicContact CB-CZ 4.49Å; I69-F94 HydrophobicContact CD1-CE1 3.85Å; I69-F94 HydrophobicContact CD1-CZ 4.03Å; I69-F94 HydrophobicContact CG2-CE1 4.3Å; I69-L95 HydrophobicContact CG2-CD2 3.63Å
70F98.6Very high96.4Very high0 Ų054.8 Ų54.80%031%0.309CS..EExtended strand (participates in β ladder)trans-127147.1176.3-69.2-102000109.8I3 R4 Y6 W48 M49 N52 V53 Q68 Q74 Y75I3-F70 CarbonylContact C-O 3.56Å; I3-F70 WeakPolarHBondContact CA-O 3.36Å; R4-F70 HydrophobicContact CB-CB 4.32Å; R4-F70 PolarHBondContact N-O 3.42Å; R4-F70 PolarHBondContact O-N 2.79Å; Y6-F70 AromaticContact CD2-CD2 3.59Å; Y6-F70 HydrophobicContact CD2-CD2 3.59Å; Y6-F70 AromaticContact CD2-CE2 3.89Å; Y6-F70 HydrophobicContact CD2-CE2 3.89Å; Y6-F70 AromaticContact CE2-CD2 3.77Å; Y6-F70 HydrophobicContact CE2-CD2 3.77Å; Y6-F70 HydrophobicContact CE2-CE2 4.17Å; Y6-F70 HydrophobicContact CE2-CG 4.34Å; W48-F70 AromaticContact CH2-CD1 3.74Å; W48-F70 HydrophobicContact CH2-CD1 3.74Å; W48-F70 AromaticContact CH2-CE1 3.9Å; W48-F70 HydrophobicContact CH2-CE1 3.9Å; W48-F70 HydrophobicContact CH2-CG 4.31Å; W48-F70 AromaticContact CZ3-CD1 3.75Å; W48-F70 HydrophobicContact CZ3-CD1 3.75Å; W48-F70 HydrophobicContact CZ3-CD2 4.27Å; W48-F70 AromaticContact CZ3-CE1 3.68Å; W48-F70 HydrophobicContact CZ3-CE1 3.68Å; W48-F70 HydrophobicContact CZ3-CE2 4.19Å; W48-F70 HydrophobicContact CZ3-CG 4.05Å; W48-F70 AromaticContact CZ3-CZ 3.9Å; W48-F70 HydrophobicContact CZ3-CZ 3.9Å; M49-F70 HydrophobicContact CG-CE2 4.21Å; N52-F70 HydrophobicContact CB-CE1 3.77Å; N52-F70 HydrophobicContact CB-CZ 4.14Å; V53-F70 HydrophobicContact CG2-CE2 4.38Å; V53-F70 HydrophobicContact CG2-CZ 3.95Å; Q68-F70 HydrophobicContact CB-CE2 4.12Å; F70-Q74 CarbonylContact C-O 3.54Å; F70-Q74 VanDerWaalsContact CA-O 3.24Å; F70-Q74 WeakPolarHBondContact CA-O 3.48Å; F70-Y75 HydrophobicContact CD1-CD2 4.25Å; F70-Y75 HydrophobicContact CD2-CD2 4.36Å; F70-Y75 AromaticContact CE1-CD2 3.7Å; F70-Y75 HydrophobicContact CE1-CD2 3.7Å; F70-Y75 HydrophobicContact CE1-CG 4.24Å; F70-Y75 AromaticContact CE2-CD2 3.85Å; F70-Y75 HydrophobicContact CE2-CD2 3.85Å; F70-Y75 HydrophobicContact CE2-CE2 4.3Å; F70-Y75 AromaticContact CZ-CD2 3.5Å; F70-Y75 HydrophobicContact CZ-CD2 3.5Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.5Å; F70-Y75 HydrophobicContact CZ-CE2 4.23Å; F70-Y75 HydrophobicContact CZ-CG 4.41Å
71N97.9Very high96.8Very high11 Ų1150.8 Ų50.86%0.05928%0.276CS..EExtended strand (participates in β ladder)trans-104.1106.5162.1-174.9-15.2000106.7I3 S73 Q74 R76 L95I3-N71 HydrophobicContact CD1-CB 3.91Å; N71-S73 PolarHBondContact O-N 3.01Å; N71-Q74 PolarHBondContact N-O 2.84Å; N71-Q74 PolarHBondContact O-N 3.47Å; N71-R76 HydrophobicContact CB-CG 3.9Å; N71-L95 WeakPolarHBondContact CB-O 3.26Å; N71-L95 PolarHBondContact ND2-O 3.03Å
72E95.6Very high97.2Very high91 Ų9144.9 Ų44.943%0.42524%0.24SC..THydrogen-bonded Turntrans56.5-94.5-168.5-61.4178.1-171.700112.9M1 V2 R4M1-E72 WeakPolarHBondContact CA-OE1 3.12Å; M1-E72 PolarHBondContact N-OE1 3.11Å; V2-E72 PolarHBondContact O-N 3.4Å; R4-E72 WeakPolarHBondContact CD-O 3.28Å; R4-E72 PolarHBondContact NH1-O 3.22Å
73S95.7Very high97.5Very high78 Ų7846.1 Ų46.155%0.54523%0.227SC..THydrogen-bonded Turntrans-113.8-10175.556.90000113.1N71N71-S73 PolarHBondContact O-N 3.01Å
74Q97.2Very high97.7Very high112 Ų11245.6 Ų45.652%0.52323%0.23SC..EExtended strand (participates in β ladder)trans-81.6122.8-178.2-170.2-176.534.600110.3F70 N71 R76F70-Q74 CarbonylContact C-O 3.54Å; F70-Q74 VanDerWaalsContact CA-O 3.24Å; F70-Q74 WeakPolarHBondContact CA-O 3.48Å; N71-Q74 PolarHBondContact N-O 2.84Å; N71-Q74 PolarHBondContact O-N 3.47Å; Q74-R76 PolarHBondContact O-N 2.77Å
75Y98.2Very high97.8Very high38 Ų3845.7 Ų45.715%0.14923%0.231CC..EExtended strand (participates in β ladder)trans-63.2129.9172.6-175-112.7000111V53 P54 S57 Q68 F70 G77 D78V53-Y75 HydrophobicContact CB-CE2 4.49Å; V53-Y75 HydrophobicContact CG1-CE2 4.29Å; V53-Y75 HydrophobicContact CG2-CD2 4.17Å; V53-Y75 HydrophobicContact CG2-CE2 3.81Å; P54-Y75 HydrophobicContact CG-CD1 3.58Å; P54-Y75 HydrophobicContact CG-CE1 4.36Å; P54-Y75 HydrophobicContact CG-CG 3.94Å; S57-Y75 WeakPolarHBondContact OG-CE1 3.27Å; Q68-Y75 PolarHBondContact OE1-OH 2.81Å; F70-Y75 HydrophobicContact CD1-CD2 4.25Å; F70-Y75 HydrophobicContact CD2-CD2 4.36Å; F70-Y75 AromaticContact CE1-CD2 3.7Å; F70-Y75 HydrophobicContact CE1-CD2 3.7Å; F70-Y75 HydrophobicContact CE1-CG 4.24Å; F70-Y75 AromaticContact CE2-CD2 3.85Å; F70-Y75 HydrophobicContact CE2-CD2 3.85Å; F70-Y75 HydrophobicContact CE2-CE2 4.3Å; F70-Y75 AromaticContact CZ-CD2 3.5Å; F70-Y75 HydrophobicContact CZ-CD2 3.5Å; F70-Y75 VanDerWaalsContact CZ-CD2 3.5Å; F70-Y75 HydrophobicContact CZ-CE2 4.23Å; F70-Y75 HydrophobicContact CZ-CG 4.41Å; Y75-G77 VanDerWaalsContact CZ-CA 3.46Å; Y75-G77 VanDerWaalsContact OH-C 3.32Å; Y75-D78 PolarHBondContact OH-N 3.05Å
76R98.4Very high97.8Very high65 Ų6544.8 Ų44.825%0.24522%0.22CC..EExtended strand (participates in β ladder)trans-107.2-41.8177.8-56.9-50.4-56.7-176.91.1111.5I69 N71 Q74 A93 F94I69-R76 HydrophobicContact CG2-CB 4.22Å; I69-R76 PolarHBondContact O-N 2.77Å; N71-R76 HydrophobicContact CB-CG 3.9Å; Q74-R76 PolarHBondContact O-N 2.77Å; R76-A93 PolarHBondContact NH2-O 3.13Å; R76-F94 VanDerWaalsContact C-CE2 3.47Å; R76-F94 HydrophobicContact CB-CE1 4.39Å; R76-F94 HydrophobicContact CB-CE2 4.25Å; R76-F94 HydrophobicContact CB-CZ 4.04Å; R76-F94 PolarHBondContact NE-O 2.86Å; R76-F94 PolarHBondContact NH2-O 3.35Å; R76-F94 WeakPolarHBondContact O-CE2 3.33Å
77G98.3Very high97.7Very high3 Ų350.1 Ų50.13%0.03124%0.244CC..EExtended strand (participates in β ladder)trans159.6179.4176.800000113.2I69 Y75I69-G77 WeakPolarHBondContact CB-O 3.36Å; I69-G77 PolarHBondContact N-O 2.75Å; I69-G77 PolarHBondContact O-N 3.27Å; Y75-G77 VanDerWaalsContact CZ-CA 3.46Å; Y75-G77 VanDerWaalsContact OH-C 3.32Å
78D98.1Very high97.5Very high47 Ų4755 Ų5525%0.25127%0.27SS..EExtended strand (participates in β ladder)trans-94.1-165.5170.669.3-3.9000111.1Q68 Y75 D80 A81 F82Q68-D78 VanDerWaalsContact NE2-CB 3.34Å; Y75-D78 PolarHBondContact OH-N 3.05Å; D78-D80 VanDerWaalsContact C-N 3.32Å; D78-D80 PolarHBondContact O-N 3.36Å; D78-D80 PolarHBondContact OD1-N 2.91Å; D78-A81 PolarHBondContact OD1-N 3.22Å; D78-F82 WeakPolarHBondContact O-CB 3.36Å; D78-F82 PolarHBondContact O-N 2.81Å; D78-F82 VanDerWaalsContact O-N 3.08Å
79Y98.3Very high97.3Very high42 Ų4257.9 Ų57.917%0.16529%0.286CS..Hα-helixtrans-61.1-38.5175.3178.8-93.5000113.2K19 D22 V23 P67 F82 F83K19-Y79 HydrophobicContact CB-CD1 4.34Å; K19-Y79 HydrophobicContact CB-CD2 3.52Å; K19-Y79 HydrophobicContact CB-CE2 3.98Å; K19-Y79 HydrophobicContact CB-CG 3.71Å; K19-Y79 HydrophobicContact CD-CD1 3.51Å; K19-Y79 HydrophobicContact CD-CD2 4.25Å; K19-Y79 HydrophobicContact CD-CE1 4.14Å; K19-Y79 HydrophobicContact CD-CG 3.56Å; K19-Y79 VanDerWaalsContact CE-CD1 3.4Å; K19-Y79 HydrophobicContact CG-CD1 3.67Å; K19-Y79 HydrophobicContact CG-CD2 3.73Å; K19-Y79 HydrophobicContact CG-CE1 3.9Å; K19-Y79 HydrophobicContact CG-CE2 3.96Å; K19-Y79 HydrophobicContact CG-CG 3.56Å; K19-Y79 WeakPolarHBondContact O-CD2 3.42Å; D22-Y79 HydrophobicContact CB-CE2 4.08Å; D22-Y79 PolarHBondContact OD2-OH 3.05Å; V23-Y79 HydrophobicContact CG2-CD2 3.91Å; P67-Y79 HydrophobicContact CG-CD2 4.35Å; Y79-F82 HydrophobicContact CD2-CD1 4.43Å; Y79-F82 HydrophobicContact CE2-CD1 4.48Å; Y79-F82 WeakPolarHBondContact O-CB 3.33Å; Y79-F82 PolarHBondContact O-N 3.03Å; Y79-F83 HydrophobicContact CD1-CB 4.48Å; Y79-F83 HydrophobicContact CE1-CB 4.11Å; Y79-F83 HydrophobicContact CE1-CG 4.48Å; Y79-F83 WeakPolarHBondContact O-CB 3.31Å; Y79-F83 PolarHBondContact O-N 2.83Å
80D97.4Very high97.1Very high89 Ų8959.4 Ų59.448%0.47630%0.298SS..Hα-helixtrans-71.4-40.6-172.9-65.7-4.4000109.4K19 D78 F83 E84K19-D80 IonicContact NZ-OD1 3.9Å; K19-D80 PolarHBondContact NZ-OD1 3.43Å; D78-D80 VanDerWaalsContact C-N 3.32Å; D78-D80 PolarHBondContact O-N 3.36Å; D78-D80 PolarHBondContact OD1-N 2.91Å; D80-F83 PolarHBondContact O-N 3.41Å; D80-E84 PolarHBondContact O-N 2.9Å
81A98.1Very high97.1Very high28 Ų2859.6 Ų59.623%0.23130%0.3CS..Hα-helixtrans-63.1-39.9171.100000112.8D78 A85 F94D78-A81 PolarHBondContact OD1-N 3.22Å; A81-A85 WeakPolarHBondContact O-CB 3.43Å; A81-A85 PolarHBondContact O-N 3.24Å; A81-F94 HydrophobicContact CB-CE2 3.78Å; A81-F94 HydrophobicContact CB-CZ 4.35Å
82F98.6Very high97Very high1 Ų160.1 Ų60.10%0.00430%0.301CS..Hα-helixtrans-62.5-43.9173.5165.9-96.7000112V23 F26 I69 D78 Y79 A85 R86 V91 F94V23-F82 HydrophobicContact CG2-CB 4.49Å; V23-F82 HydrophobicContact CG2-CD1 3.65Å; V23-F82 HydrophobicContact CG2-CD2 4.5Å; V23-F82 HydrophobicContact CG2-CE1 3.93Å; V23-F82 HydrophobicContact CG2-CG 3.96Å; V23-F82 HydrophobicContact CG2-CZ 4.46Å; F26-F82 HydrophobicContact CB-CE2 4.33Å; F26-F82 HydrophobicContact CB-CZ 3.67Å; F26-F82 AromaticContact CD1-CE2 3.86Å; F26-F82 HydrophobicContact CD1-CE2 3.86Å; F26-F82 AromaticContact CD1-CZ 3.99Å; F26-F82 HydrophobicContact CD1-CZ 3.99Å; F26-F82 HydrophobicContact CD2-CZ 4.16Å; F26-F82 HydrophobicContact CE1-CE2 4.4Å; F26-F82 HydrophobicContact CG-CE2 4.03Å; F26-F82 AromaticContact CG-CZ 3.66Å; F26-F82 HydrophobicContact CG-CZ 3.66Å; I69-F82 HydrophobicContact CD1-CB 3.69Å; I69-F82 HydrophobicContact CD1-CD2 4.23Å; I69-F82 HydrophobicContact CD1-CG 4.16Å; D78-F82 WeakPolarHBondContact O-CB 3.36Å; D78-F82 PolarHBondContact O-N 2.81Å; D78-F82 VanDerWaalsContact O-N 3.08Å; Y79-F82 HydrophobicContact CD2-CD1 4.43Å; Y79-F82 HydrophobicContact CE2-CD1 4.48Å; Y79-F82 WeakPolarHBondContact O-CB 3.33Å; Y79-F82 PolarHBondContact O-N 3.03Å; F82-A85 PolarHBondContact O-N 3.34Å; F82-R86 WeakPolarHBondContact O-CB 3.48Å; F82-R86 PolarHBondContact O-N 3.45Å; F82-V91 HydrophobicContact CD2-CG1 4.14Å; F82-V91 HydrophobicContact CE2-CG1 3.8Å; F82-F94 HydrophobicContact CB-CE1 4Å; F82-F94 HydrophobicContact CB-CZ 4.18Å; F82-F94 HydrophobicContact CD2-CE1 4.23Å
83F98.1Very high97Very high89 Ų8958.1 Ų58.139%0.3930%0.3SS..Hα-helixtrans-63.7-45.7179.3-178.5-100.1000110.9Y79 D80 A85 R86 E87Y79-F83 HydrophobicContact CD1-CB 4.48Å; Y79-F83 HydrophobicContact CE1-CB 4.11Å; Y79-F83 HydrophobicContact CE1-CG 4.48Å; Y79-F83 WeakPolarHBondContact O-CB 3.31Å; Y79-F83 PolarHBondContact O-N 2.83Å; D80-F83 PolarHBondContact O-N 3.41Å; F83-A85 VanDerWaalsContact C-N 3.34Å; F83-A85 PolarHBondContact O-N 2.93Å; F83-R86 WeakPolarHBondContact O-CB 3.19Å; F83-R86 PolarHBondContact O-N 3.12Å; F83-R86 VanDerWaalsContact O-N 3.11Å; F83-E87 HydrophobicContact CD1-CG 4.27Å; F83-E87 HydrophobicContact CE1-CG 3.8Å; F83-E87 HydrophobicContact CE2-CG 4.37Å; F83-E87 HydrophobicContact CZ-CG 3.85Å; F83-E87 WeakPolarHBondContact O-CG 3.26Å; F83-E87 PolarHBondContact O-N 3.27Å
84E98.1Very high97.1Very high128 Ų12855.7 Ų55.760%0.59828%0.28SS*.Hα-helixtrans-58.2-45.3173.9-178.3178.3-17300111.8D80 R86 E87 N88D80-E84 PolarHBondContact O-N 2.9Å; E84-R86 VanDerWaalsContact C-N 3.27Å; E84-R86 PolarHBondContact O-N 3.35Å; E84-E87 PolarHBondContact O-N 3.27Å; E84-N88 WeakPolarHBondContact O-CB 3.43Å; E84-N88 PolarHBondContact O-N 2.79Å; E84-N88 VanDerWaalsContact O-N 3.09Å; E84-N88 PolarHBondContact O-ND2 2.92Å
85A97.8Very high97.1Very high10 Ų1050.4 Ų50.48%0.08326%0.255CS..Hα-helixtrans-61.5-37.2175.800000112.1A81 F82 F83 N88 N89 A90 V91 F94A81-A85 WeakPolarHBondContact O-CB 3.43Å; A81-A85 PolarHBondContact O-N 3.24Å; F82-A85 PolarHBondContact O-N 3.34Å; F83-A85 VanDerWaalsContact C-N 3.34Å; F83-A85 PolarHBondContact O-N 2.93Å; A85-N88 CarbonylContact O-C 3.59Å; A85-N88 PolarHBondContact O-N 3.1Å; A85-N89 PolarHBondContact O-N 3.22Å; A85-A90 PolarHBondContact O-N 2.92Å; A85-V91 HydrophobicContact CB-CG2 4.43Å; A85-F94 HydrophobicContact CB-CB 3.41Å; A85-F94 VanDerWaalsContact CB-CB 3.41Å; A85-F94 HydrophobicContact CB-CD1 4.26Å; A85-F94 HydrophobicContact CB-CD2 4.18Å; A85-F94 HydrophobicContact CB-CG 3.7Å
86R95.7Very high97Very high92 Ų9249.7 Ų49.735%0.34726%0.26SS..Hα-helixtrans-65.7-46.9177.4-172.9179.7176.9176.21.8112.2D22 F82 F83 E84 N88 N89 V91D22-R86 VanDerWaalsContact CG-NH1 3.28Å; D22-R86 IonicContact OD1-CZ 3.9Å; D22-R86 IonicContact OD1-NH1 2.77Å; D22-R86 PolarHBondContact OD1-NH1 3.32Å; D22-R86 IonicContact OD2-NH1 3.05Å; D22-R86 PolarHBondContact OD2-NH1 2.97Å; F82-R86 WeakPolarHBondContact O-CB 3.48Å; F82-R86 PolarHBondContact O-N 3.45Å; F83-R86 WeakPolarHBondContact O-CB 3.19Å; F83-R86 PolarHBondContact O-N 3.12Å; F83-R86 VanDerWaalsContact O-N 3.11Å; E84-R86 VanDerWaalsContact C-N 3.27Å; E84-R86 PolarHBondContact O-N 3.35Å; R86-N88 PolarHBondContact O-N 2.93Å; R86-N89 PolarHBondContact O-N 3.47Å; R86-V91 HydrophobicContact CB-CG2 3.78Å; R86-V91 HydrophobicContact CG-CG2 4.28Å
87E95.7Very high96.9Very high123 Ų12348.4 Ų48.458%0.57526%0.258SS*.Hα-helixtrans-60.4-34.8176.5-68.6-60.8108.500111.5F83 E84 N89F83-E87 HydrophobicContact CD1-CG 4.27Å; F83-E87 HydrophobicContact CE1-CG 3.8Å; F83-E87 HydrophobicContact CE2-CG 4.37Å; F83-E87 HydrophobicContact CZ-CG 3.85Å; F83-E87 WeakPolarHBondContact O-CG 3.26Å; F83-E87 PolarHBondContact O-N 3.27Å; E84-E87 PolarHBondContact O-N 3.27Å; E87-N89 VanDerWaalsContact C-N 3.32Å; E87-N89 PolarHBondContact O-N 3.36Å
88N94.8Very high96.7Very high104 Ų10454.4 Ų54.456%0.55629%0.294SS*.THydrogen-bonded Turntrans-842.9178-69.7-53.8000114.6E84 A85 R86 A90E84-N88 WeakPolarHBondContact O-CB 3.43Å; E84-N88 PolarHBondContact O-N 2.79Å; E84-N88 VanDerWaalsContact O-N 3.09Å; E84-N88 PolarHBondContact O-ND2 2.92Å; A85-N88 CarbonylContact O-C 3.59Å; A85-N88 PolarHBondContact O-N 3.1Å; R86-N88 PolarHBondContact O-N 2.93Å; N88-A90 HydrophobicContact CB-CB 4.24Å; N88-A90 PolarHBondContact O-N 2.93Å
89N93.3Very high96.5Very high63 Ų6352.5 Ų52.534%0.33728%0.284SS..THydrogen-bonded Turntrans51.142.4-172.5-53.1-89.4000112.3A85 R86 E87 K104 E105A85-N89 PolarHBondContact O-N 3.22Å; R86-N89 PolarHBondContact O-N 3.47Å; E87-N89 VanDerWaalsContact C-N 3.32Å; E87-N89 PolarHBondContact O-N 3.36Å; N89-K104 HydrophobicContact CB-CG 4.49Å; N89-K104 WeakPolarHBondContact OD1-CD 3.44Å; N89-E105 WeakPolarHBondContact O-CB 3.41Å; N89-E105 VanDerWaalsContact O-CD 3.3Å; N89-E105 WeakPolarHBondContact O-CG 3.29Å
90A96.1Very high96.2Very high33 Ų3353.1 Ų53.127%0.27329%0.293SS..  trans-127.525.7-174.300000111.9A85 N88 A93 F94 E105A85-A90 PolarHBondContact O-N 2.92Å; N88-A90 HydrophobicContact CB-CB 4.24Å; N88-A90 PolarHBondContact O-N 2.93Å; A90-A93 PolarHBondContact O-N 3.05Å; A90-F94 VanDerWaalsContact O-CB 3.29Å; A90-F94 WeakPolarHBondContact O-CB 3.49Å; A90-F94 PolarHBondContact O-N 3.29Å; A90-E105 VanDerWaalsContact C-OE2 3.28Å; A90-E105 VanDerWaalsContact CA-CD 3.45Å; A90-E105 WeakPolarHBondContact CA-OE2 3.45Å
91V97.1Very high95.9Very high5 Ų555.2 Ų55.23%0.0331%0.312CS..Hα-helixtrans-67.4-38.3-175.5-175.70000111.1F26 F82 A85 R86 F94 L95 E105F26-V91 HydrophobicContact CD1-CG1 4.16Å; F26-V91 HydrophobicContact CE1-CB 4.01Å; F26-V91 HydrophobicContact CE1-CG1 3.42Å; F26-V91 VanDerWaalsContact CE1-CG1 3.42Å; F26-V91 HydrophobicContact CE1-CG2 4.35Å; F26-V91 HydrophobicContact CE2-CG2 4.33Å; F26-V91 HydrophobicContact CZ-CB 3.83Å; F26-V91 HydrophobicContact CZ-CG1 3.77Å; F26-V91 HydrophobicContact CZ-CG2 3.85Å; F82-V91 HydrophobicContact CD2-CG1 4.14Å; F82-V91 HydrophobicContact CE2-CG1 3.8Å; A85-V91 HydrophobicContact CB-CG2 4.43Å; R86-V91 HydrophobicContact CB-CG2 3.78Å; R86-V91 HydrophobicContact CG-CG2 4.28Å; V91-F94 WeakPolarHBondContact O-CB 3.46Å; V91-F94 PolarHBondContact O-N 2.8Å; V91-L95 HydrophobicContact CG1-CD1 3.85Å; V91-L95 HydrophobicContact CG1-CG 4.11Å; V91-L95 WeakPolarHBondContact O-CB 3.47Å; V91-L95 WeakPolarHBondContact O-CG 3.47Å; V91-L95 PolarHBondContact O-N 3.14Å; V91-E105 PolarHBondContact N-OE2 3Å
92Y96.7Very high95.4Very high21 Ų2157 Ų578%0.08233%0.333CS..Hα-helixtrans-65.8-46.8178.6-69.4-88.3000110.1N30 I32 F94 L95 G96 L97 A99 P100 E105N30-Y92 PolarHBondContact OD1-OH 3.16Å; I32-Y92 HydrophobicContact CD1-CD1 4.32Å; I32-Y92 HydrophobicContact CD1-CE1 3.7Å; I32-Y92 HydrophobicContact CG1-CE1 3.95Å; Y92-F94 VanDerWaalsContact C-N 3.33Å; Y92-F94 PolarHBondContact O-N 2.98Å; Y92-L95 CarbonylContact O-C 3.53Å; Y92-L95 PolarHBondContact O-N 3.23Å; Y92-L95 VanDerWaalsContact O-N 3.11Å; Y92-G96 PolarHBondContact O-N 3.48Å; Y92-L97 CarbonylContact C-O 3.29Å; Y92-L97 VanDerWaalsContact C-O 3.29Å; Y92-L97 HydrophobicContact CD1-CB 4.14Å; Y92-L97 PolarHBondContact O-N 3.38Å; Y92-L97 VanDerWaalsContact O-O 3.14Å; Y92-A99 HydrophobicContact CD2-CB 3.98Å; Y92-A99 HydrophobicContact CG-CB 4.02Å; Y92-P100 HydrophobicContact CE1-CG 4.3Å; Y92-P100 HydrophobicContact CE2-CG 4.43Å; Y92-E105 WeakPolarHBondContact CB-OE2 3.33Å; Y92-E105 WeakPolarHBondContact CD2-OE2 3.42Å; Y92-E105 PolarHBondContact N-OE2 3.33Å
93A96Very high94.9Very high50 Ų5058 Ų5841%0.41334%0.34SS..Hα-helixtrans-58.4-43.3172.700000112.3R76 A90 L95 G96 E105R76-A93 PolarHBondContact NH2-O 3.13Å; A90-A93 PolarHBondContact O-N 3.05Å; A93-L95 VanDerWaalsContact C-N 3.32Å; A93-L95 PolarHBondContact O-N 2.88Å; A93-G96 PolarHBondContact O-N 3.08Å; A93-E105 VanDerWaalsContact CB-OE1 3.28Å; A93-E105 WeakPolarHBondContact CB-OE1 3.32Å; A93-E105 PolarHBondContact N-OE1 2.98Å
94F97.5Very high94.5Very high26 Ų2660.1 Ų60.111%0.11435%0.349CS..Hα-helixtrans-59.8-39.7174.1163.1-98.6000112.2I69 R76 A81 F82 A85 A90 V91 Y92 G96I69-F94 HydrophobicContact CB-CZ 4.49Å; I69-F94 HydrophobicContact CD1-CE1 3.85Å; I69-F94 HydrophobicContact CD1-CZ 4.03Å; I69-F94 HydrophobicContact CG2-CE1 4.3Å; R76-F94 VanDerWaalsContact C-CE2 3.47Å; R76-F94 HydrophobicContact CB-CE1 4.39Å; R76-F94 HydrophobicContact CB-CE2 4.25Å; R76-F94 HydrophobicContact CB-CZ 4.04Å; R76-F94 PolarHBondContact NE-O 2.86Å; R76-F94 PolarHBondContact NH2-O 3.35Å; R76-F94 WeakPolarHBondContact O-CE2 3.33Å; A81-F94 HydrophobicContact CB-CE2 3.78Å; A81-F94 HydrophobicContact CB-CZ 4.35Å; F82-F94 HydrophobicContact CB-CE1 4Å; F82-F94 HydrophobicContact CB-CZ 4.18Å; F82-F94 HydrophobicContact CD2-CE1 4.23Å; A85-F94 HydrophobicContact CB-CB 3.41Å; A85-F94 VanDerWaalsContact CB-CB 3.41Å; A85-F94 HydrophobicContact CB-CD1 4.26Å; A85-F94 HydrophobicContact CB-CD2 4.18Å; A85-F94 HydrophobicContact CB-CG 3.7Å; A90-F94 VanDerWaalsContact O-CB 3.29Å; A90-F94 WeakPolarHBondContact O-CB 3.49Å; A90-F94 PolarHBondContact O-N 3.29Å; V91-F94 WeakPolarHBondContact O-CB 3.46Å; V91-F94 PolarHBondContact O-N 2.8Å; Y92-F94 VanDerWaalsContact C-N 3.33Å; Y92-F94 PolarHBondContact O-N 2.98Å; F94-G96 PolarHBondContact O-N 3.05Å
95L97.6Very high94.2Very high1 Ų154.6 Ų54.61%0.00532%0.323CS..Hα-helixtrans-76.5-8.9175.7-66.8174.7000112.7I3 L27 I32 I69 N71 V91 Y92 A93 L97I3-L95 HydrophobicContact CD1-CB 3.94Å; I3-L95 HydrophobicContact CD1-CD2 4.23Å; I3-L95 HydrophobicContact CG2-CD2 4.12Å; L27-L95 HydrophobicContact CD2-CD1 3.61Å; I32-L95 HydrophobicContact CD1-CD1 3.98Å; I69-L95 HydrophobicContact CG2-CD2 3.63Å; N71-L95 WeakPolarHBondContact CB-O 3.26Å; N71-L95 PolarHBondContact ND2-O 3.03Å; V91-L95 HydrophobicContact CG1-CD1 3.85Å; V91-L95 HydrophobicContact CG1-CG 4.11Å; V91-L95 WeakPolarHBondContact O-CB 3.47Å; V91-L95 WeakPolarHBondContact O-CG 3.47Å; V91-L95 PolarHBondContact O-N 3.14Å; Y92-L95 CarbonylContact O-C 3.53Å; Y92-L95 PolarHBondContact O-N 3.23Å; Y92-L95 VanDerWaalsContact O-N 3.11Å; A93-L95 VanDerWaalsContact C-N 3.32Å; A93-L95 PolarHBondContact O-N 2.88Å; L95-L97 HydrophobicContact CB-CD1 3.94Å; L95-L97 HydrophobicContact CB-CG 3.87Å; L95-L97 HydrophobicContact CD1-CD1 4.14Å
96G96.4Very high93.8Very high24 Ų2455.1 Ų55.125%0.24733%0.327CS..THydrogen-bonded Turntrans72.232.4-17300000112.6Y92 A93 F94Y92-G96 PolarHBondContact O-N 3.48Å; A93-G96 PolarHBondContact O-N 3.08Å; F94-G96 PolarHBondContact O-N 3.05Å
97L95.8Very high93.6Very high38 Ų3855.5 Ų55.520%0.19933%0.333CS..  trans-114.3160.3179.7-57.4-179.9000110.6M1 I3 I32 Y92 L95M1-L97 HydrophobicContact CB-CD2 4Å; M1-L97 HydrophobicContact SD-CD2 3.9Å; I3-L97 HydrophobicContact CD1-CD1 4.19Å; I3-L97 HydrophobicContact CD1-CD2 4.29Å; I3-L97 HydrophobicContact CD1-CG 4.27Å; I3-L97 HydrophobicContact CG1-CD1 4.07Å; I32-L97 HydrophobicContact CG2-CD1 3.74Å; Y92-L97 CarbonylContact C-O 3.29Å; Y92-L97 VanDerWaalsContact C-O 3.29Å; Y92-L97 HydrophobicContact CD1-CB 4.14Å; Y92-L97 PolarHBondContact O-N 3.38Å; Y92-L97 VanDerWaalsContact O-O 3.14Å; L95-L97 HydrophobicContact CB-CD1 3.94Å; L95-L97 HydrophobicContact CB-CG 3.87Å; L95-L97 HydrophobicContact CD1-CD1 4.14Å
98T94Very high93.1Very high129 Ų12952.7 Ų52.779%0.79132%0.324SS*.PPolyproline II helixtrans-84.6129.4169.8-540000109.8
99A93.8Very high92.6Very high6 Ų651.2 Ų51.25%0.0531%0.314CS..PPolyproline II helixtrans-64.9133.6174.500000110.4Y92 E105 A106Y92-A99 HydrophobicContact CD2-CB 3.98Å; Y92-A99 HydrophobicContact CG-CB 4.02Å; A99-E105 HydrophobicContact CB-CB 3.8Å; A99-E105 HydrophobicContact CB-CG 3.75Å; A99-A106 HydrophobicContact CB-CB 4.08Å
100P92.2Very high92.2Very high55 Ų5551.2 Ų51.236%0.35732%0.323SS..PPolyproline II helixtrans-69149.2-179.426.7-32.1000110.9Y92 G102 S103 A106Y92-P100 HydrophobicContact CE1-CG 4.3Å; Y92-P100 HydrophobicContact CE2-CG 4.43Å; P100-G102 PolarHBondContact O-N 2.91Å; P100-S103 VanDerWaalsContact O-CB 3.28Å; P100-S103 WeakPolarHBondContact O-CB 3.29Å; P100-S103 PolarHBondContact O-N 3.27Å; P100-S103 PolarHBondContact O-OG 3.31Å; P100-A106 VanDerWaalsContact O-CB 3.29Å; P100-A106 WeakPolarHBondContact O-CB 3.43Å
101P90.1Very high91.6Very high133 Ų13357 Ų5786%0.86434%0.341SS*.THydrogen-bonded Turntrans-53.7136174.8-2533.7000112S103P101-S103 VanDerWaalsContact C-N 3.26Å; P101-S103 PolarHBondContact O-N 3.38Å
102G87.4Confident90.6Very high65 Ų6564 Ų6467%0.6737%0.374SS*.THydrogen-bonded Turntrans80.8-2.6-177.200000114.9P100P100-G102 PolarHBondContact O-N 2.91Å
103S89.6Confident89.3Confident23 Ų2371.2 Ų71.216%0.16141%0.409CS..SBendtrans-72.7150.9164.266.20000110.7P100 P101 E105 A106 E107P100-S103 VanDerWaalsContact O-CB 3.28Å; P100-S103 WeakPolarHBondContact O-CB 3.29Å; P100-S103 PolarHBondContact O-N 3.27Å; P100-S103 PolarHBondContact O-OG 3.31Å; P101-S103 VanDerWaalsContact C-N 3.26Å; P101-S103 PolarHBondContact O-N 3.38Å; S103-E105 PolarHBondContact O-N 3.2Å; S103-A106 PolarHBondContact O-N 3.42Å; S103-A106 VanDerWaalsContact O-N 3.08Å; S103-A106 WeakPolarHBondContact OG-CB 3.26Å; S103-A106 PolarHBondContact OG-N 2.82Å; S103-E107 PolarHBondContact O-N 3.32Å
104K88.4Confident88Confident134 Ų13475.5 Ų75.558%0.58344%0.444SS*.Hα-helixtrans-57.8-34.9177.8-167.5159.9178-177.10112.5N89 E107 V108N89-K104 HydrophobicContact CB-CG 4.49Å; N89-K104 WeakPolarHBondContact OD1-CD 3.44Å; K104-E107 PolarHBondContact O-N 2.9Å; K104-V108 VanDerWaalsContact O-CG2 3.31Å; K104-V108 WeakPolarHBondContact O-CG2 3.21Å; K104-V108 PolarHBondContact O-N 2.56Å; K104-V108 VanDerWaalsContact O-N 3.09Å
105E91.6Very high87.5Confident12 Ų1278 Ų786%0.05646%0.46CS..Hα-helixtrans-65.6-45.9175.2-174.9165.5169.100112N89 A90 V91 Y92 A93 A99 S103 E107 V108 Q109N89-E105 WeakPolarHBondContact O-CB 3.41Å; N89-E105 VanDerWaalsContact O-CD 3.3Å; N89-E105 WeakPolarHBondContact O-CG 3.29Å; A90-E105 VanDerWaalsContact C-OE2 3.28Å; A90-E105 VanDerWaalsContact CA-CD 3.45Å; A90-E105 WeakPolarHBondContact CA-OE2 3.45Å; V91-E105 PolarHBondContact N-OE2 3Å; Y92-E105 WeakPolarHBondContact CB-OE2 3.33Å; Y92-E105 WeakPolarHBondContact CD2-OE2 3.42Å; Y92-E105 PolarHBondContact N-OE2 3.33Å; A93-E105 VanDerWaalsContact CB-OE1 3.28Å; A93-E105 WeakPolarHBondContact CB-OE1 3.32Å; A93-E105 PolarHBondContact N-OE1 2.98Å; A99-E105 HydrophobicContact CB-CB 3.8Å; A99-E105 HydrophobicContact CB-CG 3.75Å; S103-E105 PolarHBondContact O-N 3.2Å; E105-E107 VanDerWaalsContact C-N 3.31Å; E105-E107 PolarHBondContact O-N 2.91Å; E105-V108 PolarHBondContact O-N 3.47Å; E105-Q109 WeakPolarHBondContact O-CG 3.36Å; E105-Q109 PolarHBondContact O-N 3.41Å; E105-Q109 PolarHBondContact OE1-NE2 3.38Å
106A90.8Very high87Confident20 Ų2082 Ų8217%0.16548%0.484CS..Hα-helixtrans-62.7-37.5176.600000112.2A99 P100 S103 Q109 A110A99-A106 HydrophobicContact CB-CB 4.08Å; P100-A106 VanDerWaalsContact O-CB 3.29Å; P100-A106 WeakPolarHBondContact O-CB 3.43Å; S103-A106 PolarHBondContact O-N 3.42Å; S103-A106 VanDerWaalsContact O-N 3.08Å; S103-A106 WeakPolarHBondContact OG-CB 3.26Å; S103-A106 PolarHBondContact OG-N 2.82Å; A106-Q109 PolarHBondContact O-N 3.41Å; A106-A110 WeakPolarHBondContact O-CB 3.28Å; A106-A110 PolarHBondContact O-N 3.25Å
107E90.2Very high86.5Confident101 Ų10185.2 Ų85.247%0.47250%0.497SS..Hα-helixtrans-64.2-41.4174.8-69.2-179.7-177.800112.7S103 K104 E105 K111S103-E107 PolarHBondContact O-N 3.32Å; K104-E107 PolarHBondContact O-N 2.9Å; E105-E107 VanDerWaalsContact C-N 3.31Å; E105-E107 PolarHBondContact O-N 2.91Å; E107-K111 WeakPolarHBondContact O-CG 3.5Å; E107-K111 PolarHBondContact O-N 3.31Å; E107-K111 VanDerWaalsContact O-N 3.14Å
108V86.5Confident85.9Confident64 Ų6488 Ų8839%0.38852%0.515SS..Hα-helixtrans-65.6-44.3177.1170.80000110.5K104 E105 K111 Q112K104-V108 VanDerWaalsContact O-CG2 3.31Å; K104-V108 WeakPolarHBondContact O-CG2 3.21Å; K104-V108 PolarHBondContact O-N 2.56Å; K104-V108 VanDerWaalsContact O-N 3.09Å; E105-V108 PolarHBondContact O-N 3.47Å; V108-K111 PolarHBondContact O-N 3.39Å; V108-Q112 WeakPolarHBondContact O-CG 2.74Å; V108-Q112 PolarHBondContact O-N 3.14Å
109Q83.5Confident85.4Confident73 Ų7385.4 Ų85.434%0.34150%0.498SS..Hα-helixtrans-63-42.3177.9-70.91753.200112.1E105 A106 K111 Q112E105-Q109 WeakPolarHBondContact O-CG 3.36Å; E105-Q109 PolarHBondContact O-N 3.41Å; E105-Q109 PolarHBondContact OE1-NE2 3.38Å; A106-Q109 PolarHBondContact O-N 3.41Å; Q109-K111 VanDerWaalsContact C-N 3.32Å; Q109-K111 PolarHBondContact O-N 3Å; Q109-Q112 PolarHBondContact O-N 3.3Å
110A85.3Confident84.8Confident62 Ų6290.7 Ų90.751%0.51253%0.527SS..Hα-helixtrans-62.9-37.6177.300000112.4A106 Q113A106-A110 WeakPolarHBondContact O-CB 3.28Å; A106-A110 PolarHBondContact O-N 3.25Å; A110-Q113 PolarHBondContact O-N 3.47Å
111K83.3Confident84.3Confident154 Ų15493.3 Ų93.367%0.6754%0.54SS*.Hα-helixtrans-70.6-27.7178.3-75.3173.9-178.3172.80113.9E107 V108 Q109 Q113E107-K111 WeakPolarHBondContact O-CG 3.5Å; E107-K111 PolarHBondContact O-N 3.31Å; E107-K111 VanDerWaalsContact O-N 3.14Å; V108-K111 PolarHBondContact O-N 3.39Å; Q109-K111 VanDerWaalsContact C-N 3.32Å; Q109-K111 PolarHBondContact O-N 3Å; K111-Q113 VanDerWaalsContact C-N 3.3Å
112Q76.6Confident83.9Confident153 Ų15390.2 Ų90.272%0.71552%0.515SS*.Hα-helixtrans-78.2-16.9178.1-71.4176.7-100113.1V108 Q109V108-Q112 WeakPolarHBondContact O-CG 2.74Å; V108-Q112 PolarHBondContact O-N 3.14Å; Q109-Q112 PolarHBondContact O-N 3.3Å
113Q69Low83.6Confident173 Ų17392.3 Ų92.381%0.80850%0.502SS*.  trans-98.2-2.8-179.3-65.5-179.74.700113.4A110 K111A110-Q113 PolarHBondContact O-N 3.47Å; K111-Q113 VanDerWaalsContact C-N 3.3Å
114A68.1Low83Confident139 Ų13998.6 Ų98.6100%1.14953%0.533SS*.  trans-100.80176.800000110.7

Retrieved 114 of 114 residues in 25.3 ms (Link to these results)

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