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Heterogeneous nuclear ribonucleoproteins A2/B1

Heterogeneous nuclear ribonucleoprotein (hnRNP) that associates with nascent pre-mRNAs, packaging them into hnRNP particles. The hnRNP particle arrangement on nascent hnRNA is non-random and sequence-dependent and serves to condense and stabilize the transcripts and minimize tangling and knotting. Packaging plays a role in various processes such as transcription, pre-mRNA processing, RNA nuclear export, subcellular location, mRNA translation and stability of mature mRNAs. Forms hnRNP particles with at least 20 other different hnRNP and heterogeneous nuclear RNA in the nucleus. Involved in transport of specific mRNAs to the cytoplasm in oligodendrocytes and neurons: acts by specifically recognizing and binding the A2RE (21 nucleotide hnRNP A2 response element) or the A2RE11 (derivative 11 nucleotide oligonucleotide) sequence motifs present on some mRNAs, and promotes their transport to the cytoplasm (By similarity). Specifically binds single-stranded telomeric DNA sequences, protecting telomeric DNA repeat against endonuclease digestion (By similarity). Also binds other RNA molecules, such as primary miRNA (pri-miRNAs): acts as a nuclear 'reader' of the N6-methyladenosine (m6A) mark by specifically recognizing and binding a subset of nuclear m6A-containing pri-miRNAs. Binding to m6A-containing pri-miRNAs promotes pri-miRNA processing by enhancing binding of DGCR8 to pri-miRNA transcripts. Involved in miRNA sorting into exosomes following sumoylation, possibly by binding (m6A)-containing pre-miRNAs. Acts as a regulator of efficiency of mRNA splicing, possibly by binding to m6A-containing pre-mRNAs (By similarity). Plays a role in the splicing of pyruvate kinase PKM by binding repressively to sequences flanking PKM exon 9, inhibiting exon 9 inclusion and resulting in exon 10 inclusion and production of the PKM M2 isoform (By similarity).

AlphaFold DB , UniProt , Accession Q2HJ60, Species BOVIN (Bos taurus, Bovine), Gene HNRNPA2B1, Length 341 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
1M41.1Very low81.3Confident243 Ų243101.7 Ų101.7100%1.19746%0.456SS*.  0107.40-166.1179.8-68.600106.4
2E54Low82.7Confident195 Ų19597.1 Ų97.191%0.91144%0.435SS*.PPolyproline II helixtrans-70.8137.3177.3-61.9-170.6140.700108.9
3R68.5Low83.8Confident205 Ų20589.6 Ų89.677%0.77440%0.402SS*.PPolyproline II helixtrans-80.5128.7175.9-173.6-178.9-66.6176.4-0.2108.6K5R3-K5 PolarHBondContact O-N 3.14Å
4E79.9Confident84.7Confident75 Ų7583.7 Ų83.735%0.3538%0.378SS..PPolyproline II helixtrans-51.2134.5176.1-56.4169.8120.500110.7E6 R9 S59 M60E4-E6 PolarHBondContact O-N 3.2Å; E4-R9 HydrophobicContact CB-CG 4.12Å; E4-R9 PolarHBondContact O-NE 3.38Å; E4-R9 PolarHBondContact O-NH2 2.94Å; E4-R9 WeakPolarHBondContact OE2-CD 3.32Å; E4-S59 WeakPolarHBondContact OE2-CA 3.22Å; E4-M60 WeakPolarHBondContact OE1-CB 3.35Å; E4-M60 PolarHBondContact OE2-N 3.22Å
5K88.4Confident85.4Confident156 Ų15679.8 Ų79.868%0.67837%0.37SS*.PPolyproline II helixtrans-54.7139.4-179.4-54.9-179.1-174.8172.80109.3R3 Q7 F8R3-K5 PolarHBondContact O-N 3.14Å; K5-Q7 PolarHBondContact O-N 3.22Å; K5-F8 HydrophobicContact CB-CD2 3.87Å; K5-F8 HydrophobicContact CB-CE2 4.18Å; K5-F8 HydrophobicContact CD-CE2 4.15Å; K5-F8 HydrophobicContact CG-CD2 4.42Å; K5-F8 HydrophobicContact CG-CE2 4.3Å; K5-F8 PolarHBondContact O-N 3.11Å
6E90.4Very high86.2Confident105 Ų10574.8 Ų74.849%0.49135%0.347SS..G310 helixtrans-47.9-39.5-176.1-165.7-169.9128.700112.8E4 F8 R9 K10 T56E4-E6 PolarHBondContact O-N 3.2Å; E6-F8 VanDerWaalsContact C-N 3.31Å; E6-F8 PolarHBondContact O-N 3.42Å; E6-R9 CarbonylContact O-C 3.59Å; E6-R9 WeakPolarHBondContact O-CA 3.42Å; E6-R9 PolarHBondContact O-N 3.41Å; E6-K10 WeakPolarHBondContact O-CB 3.43Å; E6-K10 PolarHBondContact O-N 2.84Å; E6-K10 VanDerWaalsContact O-N 3.13Å; E6-K10 IonicContact OE1-NZ 2.64Å; E6-K10 PolarHBondContact OE1-NZ 3.25Å; E6-T56 HydrophobicContact CG-CG2 3.64Å
7Q90.3Very high86.7Confident53 Ų5371.5 Ų71.525%0.24833%0.334CS..G310 helixtrans-53.2-40.4178.6-158.266.251.500114.5K5 R9 A84 V85 A86 L159K5-Q7 PolarHBondContact O-N 3.22Å; Q7-R9 PolarHBondContact O-N 2.72Å; Q7-A84 PolarHBondContact NE2-O 3.39Å; Q7-V85 PolarHBondContact NE2-O 3.46Å; Q7-A86 VanDerWaalsContact CD-CA 3.5Å; Q7-A86 HydrophobicContact CG-CB 4.13Å; Q7-L159 HydrophobicContact CG-CD2 4.26Å
8F92.6Very high87.2Confident45 Ų4574.2 Ų74.220%0.19735%0.345CS..G310 helixtrans-71.8-18.6178.2-66.5-70.8000112.9K5 E6 M60 L159K5-F8 HydrophobicContact CB-CD2 3.87Å; K5-F8 HydrophobicContact CB-CE2 4.18Å; K5-F8 HydrophobicContact CD-CE2 4.15Å; K5-F8 HydrophobicContact CG-CD2 4.42Å; K5-F8 HydrophobicContact CG-CE2 4.3Å; K5-F8 PolarHBondContact O-N 3.11Å; E6-F8 VanDerWaalsContact C-N 3.31Å; E6-F8 PolarHBondContact O-N 3.42Å; F8-M60 HydrophobicContact CB-CE 4.01Å; F8-M60 HydrophobicContact CD1-CE 4.07Å; F8-M60 HydrophobicContact CG-CE 4.15Å; F8-L159 HydrophobicContact CD1-CB 3.87Å; F8-L159 HydrophobicContact CD1-CD1 3.77Å; F8-L159 HydrophobicContact CD1-CG 4.45Å; F8-L159 HydrophobicContact CE1-CB 3.52Å; F8-L159 HydrophobicContact CE1-CD1 4.32Å; F8-L159 HydrophobicContact CZ-CB 4.48Å
9R95.3Very high87.5Confident15 Ų1578.6 Ų78.66%0.05737%0.366CS..G310 helixtrans-106.85.1-175.7-57.5-170.2-75.2105.89.2112.8E4 E6 Q7 T56 F57 S58 S59 V63E4-R9 HydrophobicContact CB-CG 4.12Å; E4-R9 PolarHBondContact O-NE 3.38Å; E4-R9 PolarHBondContact O-NH2 2.94Å; E4-R9 WeakPolarHBondContact OE2-CD 3.32Å; E6-R9 CarbonylContact O-C 3.59Å; E6-R9 WeakPolarHBondContact O-CA 3.42Å; E6-R9 PolarHBondContact O-N 3.41Å; Q7-R9 PolarHBondContact O-N 2.72Å; R9-T56 HydrophobicContact CB-CG2 4.44Å; R9-T56 CarbonylContact O-C 3.58Å; R9-T56 WeakPolarHBondContact O-CA 3.49Å; R9-F57 PolarHBondContact NH1-O 3.36Å; R9-F57 PolarHBondContact O-N 3.19Å; R9-S58 WeakPolarHBondContact CD-O 3.42Å; R9-S58 PolarHBondContact NH1-O 3.45Å; R9-S59 VanDerWaalsContact CD-CA 3.45Å; R9-V63 WeakPolarHBondContact O-CG2 3.44Å
10K96.8Very high88Confident27 Ų2774.7 Ų74.712%0.11735%0.347CS..EExtended strand (participates in β ladder)trans-113.7127.9-172.4-161.3175.3-155.388.50111.4E6 D37 F54 V55 T56 A84E6-K10 WeakPolarHBondContact O-CB 3.43Å; E6-K10 PolarHBondContact O-N 2.84Å; E6-K10 VanDerWaalsContact O-N 3.13Å; E6-K10 IonicContact OE1-NZ 2.64Å; E6-K10 PolarHBondContact OE1-NZ 3.25Å; K10-D37 IonicContact NZ-OD2 2.73Å; K10-D37 PolarHBondContact NZ-OD2 2.95Å; K10-F54 HydrophobicContact CD-CD1 4.46Å; K10-F54 HydrophobicContact CG-CB 4.46Å; K10-F54 HydrophobicContact CG-CD1 4.44Å; K10-V55 CarbonylContact C-O 3.42Å; K10-V55 WeakPolarHBondContact CA-O 3.3Å; K10-T56 HydrophobicContact CB-CG2 4.2Å; K10-T56 HydrophobicContact CG-CG2 4.4Å; K10-T56 PolarHBondContact NZ-OG1 3.3Å; K10-A84 HydrophobicContact CB-CB 3.94Å; K10-A84 HydrophobicContact CD-CB 4.34Å; K10-A84 HydrophobicContact CG-CB 4Å; K10-A84 VanDerWaalsContact O-CB 3.25Å; K10-A84 WeakPolarHBondContact O-CB 3.24Å; K10-A84 PolarHBondContact O-N 2.69Å
11L97.5Very high88.3Confident0 Ų073.9 Ų73.90%035%0.348CS..EExtended strand (participates in β ladder)trans-103.8139.8170.1-66.7-179.1000110.4I13 F54 V55 F57 V63 A66 M67 P81 K82 R83L11-I13 HydrophobicContact CB-CD1 3.68Å; L11-I13 HydrophobicContact CD1-CD1 4.27Å; L11-F54 VanDerWaalsContact O-CA 3.22Å; L11-F54 WeakPolarHBondContact O-CA 3.32Å; L11-V55 HydrophobicContact CB-CG2 3.95Å; L11-V55 HydrophobicContact CD1-CG2 4.48Å; L11-V55 PolarHBondContact N-O 3.38Å; L11-V55 PolarHBondContact O-N 2.73Å; L11-V55 VanDerWaalsContact O-N 3.08Å; L11-F57 HydrophobicContact CD1-CE2 4.19Å; L11-V63 HydrophobicContact CD1-CG1 4.4Å; L11-V63 HydrophobicContact CD2-CG1 3.56Å; L11-V63 HydrophobicContact CG-CG1 3.94Å; L11-A66 HydrophobicContact CD1-CB 4.28Å; L11-M67 HydrophobicContact CD1-CG 4.32Å; L11-M67 HydrophobicContact CD1-SD 3.96Å; L11-M67 HydrophobicContact CD2-CG 3.9Å; L11-M67 HydrophobicContact CD2-SD 3.68Å; L11-M67 HydrophobicContact CG-SD 4.5Å; L11-P81 HydrophobicContact CD1-CB 4.46Å; L11-K82 CarbonylContact C-O 3.58Å; L11-K82 WeakPolarHBondContact CA-O 3.1Å; L11-R83 HydrophobicContact CD2-CG 4.03Å
12F97.1Very high91Very high46 Ų4666.5 Ų66.520%0.20231%0.31CS..EExtended strand (participates in β ladder)trans-83.7129.2157.7166.3-89.9000108.1F52 F54 P81 K82F12-F52 HydrophobicContact CD2-CD2 4.08Å; F12-F52 HydrophobicContact CE2-CB 3.86Å; F12-F52 AromaticContact CE2-CD2 3.44Å; F12-F52 HydrophobicContact CE2-CD2 3.44Å; F12-F52 VanDerWaalsContact CE2-CD2 3.44Å; F12-F52 HydrophobicContact CE2-CE2 4.15Å; F12-F52 AromaticContact CE2-CG 3.85Å; F12-F52 HydrophobicContact CE2-CG 3.85Å; F12-F52 HydrophobicContact CZ-CB 3.94Å; F12-F52 HydrophobicContact CZ-CD2 4.33Å; F12-F52 HydrophobicContact CZ-CG 4.31Å; F12-F54 HydrophobicContact CB-CD1 4.08Å; F12-F54 HydrophobicContact CB-CE1 3.82Å; F12-F54 AromaticContact CD2-CE1 3.88Å; F12-F54 HydrophobicContact CD2-CE1 3.88Å; F12-F54 AromaticContact CD2-CZ 3.92Å; F12-F54 HydrophobicContact CD2-CZ 3.92Å; F12-F54 HydrophobicContact CG-CE1 4.36Å; F12-P81 CarbonylContact O-C 3.6Å; F12-P81 WeakPolarHBondContact O-CA 3.36Å; F12-K82 HydrophobicContact CD1-CB 4.44Å; F12-K82 PolarHBondContact N-O 3.1Å; F12-K82 PolarHBondContact O-N 2.85Å; F12-K82 VanDerWaalsContact O-O 3.14Å
13I97.5Very high93Very high0 Ų063.8 Ų63.80%030%0.297CS..EExtended strand (participates in β ladder)trans-113.1104.8175.9-43.2-56.8000108.3L11 L16 L25 Y29 F52 G53 V55 V79 P81L11-I13 HydrophobicContact CB-CD1 3.68Å; L11-I13 HydrophobicContact CD1-CD1 4.27Å; I13-L16 HydrophobicContact CB-CD2 4.17Å; I13-L16 HydrophobicContact CG2-CD2 3.5Å; I13-L16 VanDerWaalsContact CG2-CD2 3.5Å; I13-L16 HydrophobicContact CG2-CG 4.4Å; I13-L25 HydrophobicContact CG1-CD1 4.38Å; I13-L25 HydrophobicContact CG2-CD1 4.39Å; I13-Y29 HydrophobicContact CD1-CE1 4.29Å; I13-Y29 HydrophobicContact CD1-CE2 3.73Å; I13-Y29 HydrophobicContact CG1-CE2 3.76Å; I13-Y29 HydrophobicContact CG2-CE2 4.1Å; I13-F52 CarbonylContact O-C 3.45Å; I13-F52 WeakPolarHBondContact O-CA 3.29Å; I13-F52 WeakPolarHBondContact O-CB 3.07Å; I13-G53 PolarHBondContact N-O 3.22Å; I13-G53 PolarHBondContact O-N 2.84Å; I13-V55 HydrophobicContact CD1-CG2 4Å; I13-V55 HydrophobicContact CG1-CG1 4.4Å; I13-V55 HydrophobicContact CG1-CG2 4.17Å; I13-V79 HydrophobicContact CG2-CB 3.93Å; I13-V79 HydrophobicContact CG2-CG2 3.87Å; I13-P81 HydrophobicContact CD1-CB 3.85Å
14G96.5Very high94.3Very high7 Ų755.2 Ų55.27%0.07227%0.269CS..EExtended strand (participates in β ladder)trans-90160.1175.700000112.6L16 V79 E80G14-L16 PolarHBondContact O-N 2.91Å; G14-V79 WeakPolarHBondContact O-CA 3.15Å; G14-V79 WeakPolarHBondContact O-CB 3.45Å; G14-E80 PolarHBondContact N-O 2.66Å; G14-E80 PolarHBondContact O-N 2.96Å
15G95.7Very high95.2Very high25 Ų2551.6 Ų51.626%0.25825%0.252SS..SBendtrans73.622.1173.600000115.1G51 R77G15-G51 PolarHBondContact N-O 3.38Å; G15-R77 WeakPolarHBondContact O-CD 3.44Å; G15-R77 WeakPolarHBondContact O-CG 3.3Å; G15-R77 PolarHBondContact O-NE 2.73Å
16L97Very high95.6Very high0 Ų047.7 Ų47.70%023%0.233CC..  trans-58.2157.3174.8-60.4-175.5000111.8I13 G14 T20 L25 V40 G51 R77 V79I13-L16 HydrophobicContact CB-CD2 4.17Å; I13-L16 HydrophobicContact CG2-CD2 3.5Å; I13-L16 VanDerWaalsContact CG2-CD2 3.5Å; I13-L16 HydrophobicContact CG2-CG 4.4Å; G14-L16 PolarHBondContact O-N 2.91Å; L16-T20 HydrophobicContact CB-CG2 4.38Å; L16-T20 HydrophobicContact CD1-CG2 4.09Å; L16-T20 HydrophobicContact CD2-CG2 4.29Å; L16-T20 HydrophobicContact CG-CG2 4.49Å; L16-L25 HydrophobicContact CD1-CD1 4.5Å; L16-L25 HydrophobicContact CD1-CD2 4.2Å; L16-L25 HydrophobicContact CD2-CD1 3.9Å; L16-V40 HydrophobicContact CD1-CG1 4.31Å; L16-V40 HydrophobicContact CD1-CG2 4.2Å; L16-G51 PolarHBondContact N-O 3.32Å; L16-R77 PolarHBondContact O-NH1 3.15Å; L16-V79 HydrophobicContact CD2-CB 4.45Å; L16-V79 HydrophobicContact CD2-CG1 3.85Å
17S95.8Very high95.9Very high19 Ų1947.4 Ų47.413%0.13324%0.235CC..  trans-63.7155.5165.3-173.60000110.1E19 T20 S49S17-E19 PolarHBondContact O-N 3.42Å; S17-E19 PolarHBondContact OG-N 2.94Å; S17-T20 WeakPolarHBondContact CB-OG1 3.46Å; S17-T20 PolarHBondContact N-OG1 3.34Å; S17-T20 PolarHBondContact O-N 3.36Å; S17-S49 PolarHBondContact O-OG 2.75Å
18F94.9Very high96.3Very high120 Ų12047.4 Ų47.453%0.52623%0.233SC..SBendtrans-69.6-19.3170.4-66.4-53.6000112.1S49F18-S49 WeakPolarHBondContact CD1-O 3.34Å; F18-S49 VanDerWaalsContact O-CB 3.32Å; F18-S49 WeakPolarHBondContact O-CB 3.49Å
19E94.2Very high96.5Very high158 Ų15845.3 Ų45.374%0.73822%0.224SC*.SBendtrans-85.3-23.4178.3-64171.7172.500112.3S17 T21S17-E19 PolarHBondContact O-N 3.42Å; S17-E19 PolarHBondContact OG-N 2.94Å; E19-T21 PolarHBondContact O-N 3.06Å
20T95.7Very high96.6Very high0 Ų048.3 Ų48.30%024%0.238CC..  trans-51.5126.5-177-61.80000112.6L16 S17 L25 V40 R42 I74 D75L16-T20 HydrophobicContact CB-CG2 4.38Å; L16-T20 HydrophobicContact CD1-CG2 4.09Å; L16-T20 HydrophobicContact CD2-CG2 4.29Å; L16-T20 HydrophobicContact CG-CG2 4.49Å; S17-T20 WeakPolarHBondContact CB-OG1 3.46Å; S17-T20 PolarHBondContact N-OG1 3.34Å; S17-T20 PolarHBondContact O-N 3.36Å; T20-L25 HydrophobicContact CG2-CB 4.08Å; T20-V40 HydrophobicContact CG2-CG2 4.3Å; T20-R42 PolarHBondContact O-NH2 2.97Å; T20-I74 HydrophobicContact CG2-CG2 4.42Å; T20-D75 WeakPolarHBondContact CA-OD2 3.48Å; T20-D75 WeakPolarHBondContact CB-OD2 3.31Å; T20-D75 WeakPolarHBondContact CG2-OD2 3.03Å; T20-D75 PolarHBondContact OG1-OD2 2.84Å
21T96.1Very high96.6Very high57 Ų5753 Ų5335%0.3526%0.261SS..  trans-102167.4178.767.40000110.4E19 E23 S24 L25E19-T21 PolarHBondContact O-N 3.06Å; T21-E23 PolarHBondContact O-N 3.23Å; T21-E23 PolarHBondContact OG1-N 2.85Å; T21-S24 PolarHBondContact N-OG 3.06Å; T21-S24 PolarHBondContact O-N 3.02Å; T21-S24 PolarHBondContact O-OG 2.72Å; T21-S24 PolarHBondContact OG1-N 3.39Å; T21-L25 VanDerWaalsContact O-CB 3.23Å; T21-L25 WeakPolarHBondContact O-CB 3.35Å; T21-L25 PolarHBondContact O-N 3.45Å
22E96.4Very high96.6Very high89 Ų8955.3 Ų55.342%0.41627%0.27SS..Hα-helixtrans-66.7-21.7173-71.2167.616900111.7R26 C38 V39 V40E22-R26 WeakPolarHBondContact O-CB 3.14Å; E22-R26 PolarHBondContact O-N 3.39Å; E22-C38 PolarHBondContact O-SG 2.89Å; E22-C38 VanDerWaalsContact O-SG 3.34Å; E22-V39 WeakPolarHBondContact OE1-CA 3.33Å; E22-V40 HydrophobicContact CG-CB 3.92Å; E22-V40 HydrophobicContact CG-CG2 3.82Å; E22-V40 VanDerWaalsContact CG-N 3.31Å; E22-V40 PolarHBondContact OE1-N 3.33Å
23E96.6Very high96.6Very high137 Ų13753.9 Ų53.964%0.6427%0.268SS*.Hα-helixtrans-78-49.2173.3-176.8177.3-171.900112.1T21 L25 R26 N27T21-E23 PolarHBondContact O-N 3.23Å; T21-E23 PolarHBondContact OG1-N 2.85Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.12Å; E23-R26 PolarHBondContact O-N 3.18Å; E23-N27 VanDerWaalsContact O-CB 3.32Å; E23-N27 WeakPolarHBondContact O-CB 3.2Å; E23-N27 PolarHBondContact O-N 2.65Å; E23-N27 PolarHBondContact O-ND2 3.47Å; E23-N27 PolarHBondContact O-OD1 3.09Å
24S96.5Very high96.5Very high25 Ų2561.1 Ų61.118%0.17530%0.299CS..Hα-helixtrans-64.6-40.817766.70000111.5T21 Y28 D75T21-S24 PolarHBondContact N-OG 3.06Å; T21-S24 PolarHBondContact O-N 3.02Å; T21-S24 PolarHBondContact O-OG 2.72Å; T21-S24 PolarHBondContact OG1-N 3.39Å; S24-Y28 WeakPolarHBondContact O-CB 3.23Å; S24-Y28 PolarHBondContact O-N 3.46Å; S24-Y28 VanDerWaalsContact O-N 3.11Å; S24-D75 WeakPolarHBondContact CB-OD1 3.47Å; S24-D75 PolarHBondContact OG-OD1 3.42Å; S24-D75 PolarHBondContact OG-OD2 2.97Å
25L97.3Very high96.6Very high0 Ų061.1 Ų61.10%030%0.298CS..Hα-helixtrans-63.1-41.4173.9-172.864.8000112.3I13 L16 T20 T21 E23 Y29 V40 V55 I74I13-L25 HydrophobicContact CG1-CD1 4.38Å; I13-L25 HydrophobicContact CG2-CD1 4.39Å; L16-L25 HydrophobicContact CD1-CD1 4.5Å; L16-L25 HydrophobicContact CD1-CD2 4.2Å; L16-L25 HydrophobicContact CD2-CD1 3.9Å; T20-L25 HydrophobicContact CG2-CB 4.08Å; T21-L25 VanDerWaalsContact O-CB 3.23Å; T21-L25 WeakPolarHBondContact O-CB 3.35Å; T21-L25 PolarHBondContact O-N 3.45Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.12Å; L25-Y29 HydrophobicContact CD1-CD2 3.71Å; L25-Y29 HydrophobicContact CD1-CE2 3.62Å; L25-Y29 HydrophobicContact CG-CD2 4.3Å; L25-Y29 WeakPolarHBondContact O-CD2 3.35Å; L25-Y29 PolarHBondContact O-N 2.71Å; L25-V40 HydrophobicContact CB-CG2 4.34Å; L25-V40 HydrophobicContact CD2-CG2 3.79Å; L25-V55 HydrophobicContact CD1-CG1 4.34Å; L25-V55 HydrophobicContact CD2-CG1 3.93Å; L25-V55 HydrophobicContact CG-CG1 3.8Å; L25-I74 HydrophobicContact CD1-CD1 3.76Å
26R97.8Very high96.6Very high74 Ų7463.4 Ų63.428%0.27931%0.307SS..Hα-helixtrans-65.4-55.5176.7172.1176.2-66.2-84.1-0.3111.3E22 E23 Y28 Y29 E30 L35 C38E22-R26 WeakPolarHBondContact O-CB 3.14Å; E22-R26 PolarHBondContact O-N 3.39Å; E23-R26 PolarHBondContact O-N 3.18Å; R26-Y28 PolarHBondContact O-N 3.34Å; R26-Y29 PolarHBondContact O-N 2.91Å; R26-Y29 VanDerWaalsContact O-N 3.12Å; R26-E30 WeakPolarHBondContact CD-OE1 3.47Å; R26-E30 HydrophobicContact CG-CG 3.93Å; R26-E30 WeakPolarHBondContact CG-OE1 3.21Å; R26-E30 IonicContact CZ-OE1 3.92Å; R26-E30 IonicContact NE-OE1 3.58Å; R26-E30 IonicContact NH1-OE1 3.68Å; R26-E30 PolarHBondContact NH1-OE1 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.09Å; R26-E30 WeakPolarHBondContact O-CG 3.45Å; R26-E30 PolarHBondContact O-N 3.33Å; R26-L35 HydrophobicContact CB-CD1 4.37Å; R26-L35 HydrophobicContact CG-CD1 4.27Å; R26-L35 PolarHBondContact NH1-O 2.8Å; R26-C38 HydrophobicContact CB-CB 4.36Å
27N97Very high96.6Very high99 Ų9966.1 Ų66.153%0.52932%0.321SS..Hα-helixtrans-59.8-32.9-174.9-66.2-10.2000111.5E23E23-N27 VanDerWaalsContact O-CB 3.32Å; E23-N27 WeakPolarHBondContact O-CB 3.2Å; E23-N27 PolarHBondContact O-N 2.65Å; E23-N27 PolarHBondContact O-ND2 3.47Å; E23-N27 PolarHBondContact O-OD1 3.09Å
28Y97.6Very high96.7Very high53 Ų5365.8 Ų65.821%0.20832%0.319CS..Hα-helixtrans-69.3-52.2172.8-171.7-95.6000112.8S24 R26 Q31 W32 H72 S73 I74S24-Y28 WeakPolarHBondContact O-CB 3.23Å; S24-Y28 PolarHBondContact O-N 3.46Å; S24-Y28 VanDerWaalsContact O-N 3.11Å; R26-Y28 PolarHBondContact O-N 3.34Å; Y28-Q31 VanDerWaalsContact O-CG 3.24Å; Y28-Q31 WeakPolarHBondContact O-CG 3.45Å; Y28-W32 HydrophobicContact CD1-CH2 4.19Å; Y28-W32 AromaticContact CD1-CZ3 3.84Å; Y28-W32 HydrophobicContact CD1-CZ3 3.84Å; Y28-W32 AromaticContact CE1-CH2 3.53Å; Y28-W32 HydrophobicContact CE1-CH2 3.53Å; Y28-W32 AromaticContact CE1-CZ3 3.63Å; Y28-W32 HydrophobicContact CE1-CZ3 3.63Å; Y28-W32 AromaticContact CZ-CH2 3.93Å; Y28-H72 HydrophobicContact CE1-CB 3.85Å; Y28-H72 AromaticContact CE1-CG 3.87Å; Y28-H72 WeakPolarHBondContact OH-CA 3.11Å; Y28-H72 PolarHBondContact OH-ND1 2.77Å; Y28-S73 WeakPolarHBondContact CE2-O 3.34Å; Y28-S73 PolarHBondContact OH-N 3.49Å; Y28-S73 VanDerWaalsContact OH-N 3.09Å; Y28-S73 PolarHBondContact OH-O 3.2Å; Y28-I74 HydrophobicContact CD1-CD1 3.41Å; Y28-I74 VanDerWaalsContact CD1-CD1 3.41Å; Y28-I74 HydrophobicContact CD1-CG1 3.55Å; Y28-I74 HydrophobicContact CD2-CG1 4.18Å; Y28-I74 HydrophobicContact CE1-CD1 3.83Å; Y28-I74 HydrophobicContact CE1-CG1 3.67Å; Y28-I74 HydrophobicContact CE2-CG1 4.3Å; Y28-I74 HydrophobicContact CG-CD1 3.95Å; Y28-I74 HydrophobicContact CG-CG1 3.81Å
29Y97.6Very high96.8Very high0 Ų062 Ų620%031%0.305CS..Hα-helixtrans-76.5-21.4-175.5-83.5-68.2000114.4I13 L25 R26 Q31 W32 V55 F57 A66 H72 I74I13-Y29 HydrophobicContact CD1-CE1 4.29Å; I13-Y29 HydrophobicContact CD1-CE2 3.73Å; I13-Y29 HydrophobicContact CG1-CE2 3.76Å; I13-Y29 HydrophobicContact CG2-CE2 4.1Å; L25-Y29 HydrophobicContact CD1-CD2 3.71Å; L25-Y29 HydrophobicContact CD1-CE2 3.62Å; L25-Y29 HydrophobicContact CG-CD2 4.3Å; L25-Y29 WeakPolarHBondContact O-CD2 3.35Å; L25-Y29 PolarHBondContact O-N 2.71Å; R26-Y29 PolarHBondContact O-N 2.91Å; R26-Y29 VanDerWaalsContact O-N 3.12Å; Y29-Q31 PolarHBondContact O-N 2.79Å; Y29-Q31 VanDerWaalsContact O-N 3.14Å; Y29-W32 AromaticContact CD1-CE3 3.7Å; Y29-W32 HydrophobicContact CD1-CE3 3.7Å; Y29-W32 AromaticContact CD1-CZ3 3.58Å; Y29-W32 HydrophobicContact CD1-CZ3 3.58Å; Y29-W32 HydrophobicContact CE1-CE3 4.3Å; Y29-W32 AromaticContact CE1-CZ3 3.87Å; Y29-W32 HydrophobicContact CE1-CZ3 3.87Å; Y29-W32 HydrophobicContact CG-CZ3 4.35Å; Y29-W32 PolarHBondContact O-N 2.74Å; Y29-V55 HydrophobicContact CD1-CG2 4.41Å; Y29-V55 HydrophobicContact CD2-CG1 3.83Å; Y29-V55 HydrophobicContact CD2-CG2 4.12Å; Y29-V55 HydrophobicContact CG-CG1 4.3Å; Y29-V55 HydrophobicContact CG-CG2 4.05Å; Y29-F57 HydrophobicContact CD1-CE2 4.42Å; Y29-F57 HydrophobicContact CD1-CZ 4.07Å; Y29-F57 HydrophobicContact CG-CZ 4.44Å; Y29-F57 WeakPolarHBondContact O-CE1 3.46Å; Y29-F57 WeakPolarHBondContact O-CZ 3.34Å; Y29-A66 HydrophobicContact CD1-CB 4.44Å; Y29-H72 AromaticContact CE1-CD2 3.66Å; Y29-H72 AromaticContact CE1-NE2 3.99Å; Y29-H72 AromaticContact CZ-CD2 3.9Å; Y29-H72 PolarHBondContact OH-CD2 2.86Å; Y29-H72 VanDerWaalsContact OH-CD2 3.3Å; Y29-I74 HydrophobicContact CD2-CD1 4.15Å; Y29-I74 HydrophobicContact CE2-CD1 3.45Å; Y29-I74 VanDerWaalsContact CE2-CD1 3.45Å
30E97Very high96.9Very high78 Ų7854.6 Ų54.636%0.36427%0.271SS..G310 helixtrans-65-14.3176.7-78.9-174.5176.300113.8R26 W32 G33 L35R26-E30 WeakPolarHBondContact CD-OE1 3.47Å; R26-E30 HydrophobicContact CG-CG 3.93Å; R26-E30 WeakPolarHBondContact CG-OE1 3.21Å; R26-E30 IonicContact CZ-OE1 3.92Å; R26-E30 IonicContact NE-OE1 3.58Å; R26-E30 IonicContact NH1-OE1 3.68Å; R26-E30 PolarHBondContact NH1-OE1 3.31Å; R26-E30 WeakPolarHBondContact O-CB 3.09Å; R26-E30 WeakPolarHBondContact O-CG 3.45Å; R26-E30 PolarHBondContact O-N 3.33Å; E30-W32 PolarHBondContact O-N 2.86Å; E30-G33 VanDerWaalsContact CA-O 3.31Å; E30-G33 WeakPolarHBondContact CA-O 3.2Å; E30-G33 PolarHBondContact O-N 3.18Å; E30-L35 HydrophobicContact CG-CB 3.97Å; E30-L35 HydrophobicContact CG-CD1 3.96Å; E30-L35 HydrophobicContact CG-CG 3.71Å
31Q97.2Very high97Very high127 Ų12757.3 Ų57.359%0.59329%0.285SS*.G310 helixtrans-66.3-16.2174.382.2-172.818.200114.3Y28 Y29Y28-Q31 VanDerWaalsContact O-CG 3.24Å; Y28-Q31 WeakPolarHBondContact O-CG 3.45Å; Y29-Q31 PolarHBondContact O-N 2.79Å; Y29-Q31 VanDerWaalsContact O-N 3.14Å
32W97.6Very high97Very high48 Ų4858.9 Ų58.918%0.18228%0.284CS..G310 helixtrans-104.1-7.8174.7-65.1-75.7000114.2Y28 Y29 E30 F57 A66 A69 H72Y28-W32 HydrophobicContact CD1-CH2 4.19Å; Y28-W32 AromaticContact CD1-CZ3 3.84Å; Y28-W32 HydrophobicContact CD1-CZ3 3.84Å; Y28-W32 AromaticContact CE1-CH2 3.53Å; Y28-W32 HydrophobicContact CE1-CH2 3.53Å; Y28-W32 AromaticContact CE1-CZ3 3.63Å; Y28-W32 HydrophobicContact CE1-CZ3 3.63Å; Y28-W32 AromaticContact CZ-CH2 3.93Å; Y29-W32 AromaticContact CD1-CE3 3.7Å; Y29-W32 HydrophobicContact CD1-CE3 3.7Å; Y29-W32 AromaticContact CD1-CZ3 3.58Å; Y29-W32 HydrophobicContact CD1-CZ3 3.58Å; Y29-W32 HydrophobicContact CE1-CE3 4.3Å; Y29-W32 AromaticContact CE1-CZ3 3.87Å; Y29-W32 HydrophobicContact CE1-CZ3 3.87Å; Y29-W32 HydrophobicContact CG-CZ3 4.35Å; Y29-W32 PolarHBondContact O-N 2.74Å; E30-W32 PolarHBondContact O-N 2.86Å; W32-F57 HydrophobicContact CB-CE1 4.18Å; W32-F57 HydrophobicContact CB-CZ 4.39Å; W32-A66 HydrophobicContact CB-CB 4.04Å; W32-A66 HydrophobicContact CD2-CB 4.02Å; W32-A66 HydrophobicContact CE3-CB 4.12Å; W32-A66 HydrophobicContact CG-CB 3.99Å; W32-A69 HydrophobicContact CZ2-CB 3.62Å; W32-H72 AromaticContact CH2-CE1 3.11Å; W32-H72 WeakPolarHBondContact CH2-CE1 3.28Å; W32-H72 AromaticContact CH2-ND1 3.34Å; W32-H72 VanDerWaalsContact CH2-ND1 3.34Å; W32-H72 WeakPolarHBondContact CH2-ND1 3.46Å; W32-H72 AromaticContact CH2-NE2 3.76Å; W32-H72 AromaticContact CZ2-CE1 3.2Å; W32-H72 WeakPolarHBondContact CZ2-CE1 3.2Å; W32-H72 AromaticContact CZ2-ND1 3.74Å; W32-H72 AromaticContact CZ3-CE1 3.95Å
33G96Very high96.8Very high16 Ų1657.5 Ų57.517%0.16528%0.279CS..SBendtrans156.4169-174.700000114.7E30 L35 E62E30-G33 VanDerWaalsContact CA-O 3.31Å; E30-G33 WeakPolarHBondContact CA-O 3.2Å; E30-G33 PolarHBondContact O-N 3.18Å; G33-L35 PolarHBondContact O-N 2.95Å; G33-E62 WeakPolarHBondContact CA-OE1 3.22Å
34K96.9Very high96.6Very high151 Ų15155.9 Ų55.966%0.65728%0.281SS*.  trans-76117.8-173.3-179.3171.8-177.41690112.2T36 F57 S58 E62K34-T36 PolarHBondContact O-N 2.83Å; K34-F57 CarbonylContact O-C 3.5Å; K34-F57 WeakPolarHBondContact O-CA 3.47Å; K34-S58 PolarHBondContact O-N 3.41Å; K34-E62 PolarHBondContact N-OE1 3.43Å
35L97.2Very high96.5Very high7 Ų758.9 Ų58.94%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-80.5113.1175-65.5-174.4000112.9R26 E30 G33 C38 V55 T56 F57R26-L35 HydrophobicContact CB-CD1 4.37Å; R26-L35 HydrophobicContact CG-CD1 4.27Å; R26-L35 PolarHBondContact NH1-O 2.8Å; E30-L35 HydrophobicContact CG-CB 3.97Å; E30-L35 HydrophobicContact CG-CD1 3.96Å; E30-L35 HydrophobicContact CG-CG 3.71Å; G33-L35 PolarHBondContact O-N 2.95Å; L35-C38 HydrophobicContact CD1-CB 4.29Å; L35-V55 HydrophobicContact CD1-CB 4.12Å; L35-V55 HydrophobicContact CD1-CG1 4.11Å; L35-V55 HydrophobicContact CD2-CB 3.9Å; L35-V55 HydrophobicContact CD2-CG2 4.41Å; L35-T56 CarbonylContact C-O 3.58Å; L35-T56 WeakPolarHBondContact CA-O 3.33Å; L35-F57 HydrophobicContact CD2-CD1 3.66Å; L35-F57 HydrophobicContact CD2-CD2 3.88Å; L35-F57 HydrophobicContact CD2-CE1 3.66Å; L35-F57 HydrophobicContact CD2-CE2 3.89Å; L35-F57 HydrophobicContact CD2-CG 3.79Å; L35-F57 HydrophobicContact CD2-CZ 3.79Å
36T96.7Very high96.3Very high73 Ų7362.5 Ų62.545%0.44833%0.333SS..EExtended strand (participates in β ladder)trans-75.6-25.7172.159.80000113.6K34 T56 F57K34-T36 PolarHBondContact O-N 2.83Å; T36-T56 PolarHBondContact N-O 2.82Å; T36-T56 PolarHBondContact OG1-O 2.86Å; T36-F57 PolarHBondContact OG1-O 3.22Å
37D96.6Very high96Very high58 Ų5865.5 Ų65.531%0.3135%0.348SS..EExtended strand (participates in β ladder)trans-152.5147.6175.9165.248.5000109.6K10 T56K10-D37 IonicContact NZ-OD2 2.73Å; K10-D37 PolarHBondContact NZ-OD2 2.95Å; D37-T56 PolarHBondContact N-O 3.08Å; D37-T56 PolarHBondContact O-N 3.13Å; D37-T56 PolarHBondContact OD2-OG1 2.96Å
38C97.4Very high95.7Very high12 Ų1269.1 Ų69.18%0.08135%0.354CS..EExtended strand (participates in β ladder)trans-155.5123.6179.4-179.80000108.4E22 R26 L35 F54E22-C38 PolarHBondContact O-SG 2.89Å; E22-C38 VanDerWaalsContact O-SG 3.34Å; R26-C38 HydrophobicContact CB-CB 4.36Å; L35-C38 HydrophobicContact CD1-CB 4.29Å; C38-F54 WeakPolarHBondContact CA-O 3.5Å
39V97Very high95.6Very high40 Ų4066.8 Ų66.824%0.24235%0.345CS..EExtended strand (participates in β ladder)trans-143.5134.3-175.6600000111.5E22 M41 G53 F54E22-V39 WeakPolarHBondContact OE1-CA 3.33Å; V39-M41 HydrophobicContact CG1-SD 4.41Å; V39-M41 HydrophobicContact CG2-SD 4.03Å; V39-G53 CarbonylContact O-C 3.57Å; V39-G53 WeakPolarHBondContact O-CA 3.37Å; V39-F54 HydrophobicContact CG1-CB 3.98Å; V39-F54 HydrophobicContact CG1-CD2 4.28Å; V39-F54 PolarHBondContact N-O 3.31Å; V39-F54 PolarHBondContact O-N 3.06Å
40V97.3Very high95.4Very high3 Ų373.3 Ų73.32%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-103.9114.7172.9174.50000108L16 T20 E22 L25 R42L16-V40 HydrophobicContact CD1-CG1 4.31Å; L16-V40 HydrophobicContact CD1-CG2 4.2Å; T20-V40 HydrophobicContact CG2-CG2 4.3Å; E22-V40 HydrophobicContact CG-CB 3.92Å; E22-V40 HydrophobicContact CG-CG2 3.82Å; E22-V40 VanDerWaalsContact CG-N 3.31Å; E22-V40 PolarHBondContact OE1-N 3.33Å; L25-V40 HydrophobicContact CB-CG2 4.34Å; L25-V40 HydrophobicContact CD2-CG2 3.79Å; V40-R42 HydrophobicContact CG1-CG 4.45Å; V40-R42 PolarHBondContact O-N 3.04Å
41M96.5Very high95.3Very high57 Ų5770.2 Ų70.228%0.28136%0.359SS..EExtended strand (participates in β ladder)trans-70112.4-174.2-63.8-55.6-59.100109.8V39 R50 F52 F54V39-M41 HydrophobicContact CG1-SD 4.41Å; V39-M41 HydrophobicContact CG2-SD 4.03Å; M41-R50 WeakPolarHBondContact O-CB 3.44Å; M41-R50 WeakPolarHBondContact O-CG 3.08Å; M41-R50 PolarHBondContact O-N 2.81Å; M41-F52 HydrophobicContact CB-CD1 4.47Å; M41-F52 HydrophobicContact CB-CD2 4.03Å; M41-F52 HydrophobicContact CB-CE1 4.16Å; M41-F52 HydrophobicContact CB-CE2 3.72Å; M41-F52 HydrophobicContact CB-CG 4.41Å; M41-F52 HydrophobicContact CB-CZ 3.78Å; M41-F52 WeakPolarHBondContact CB-O 3.16Å; M41-F52 HydrophobicContact CG-CD2 3.83Å; M41-F52 HydrophobicContact CG-CE2 3.45Å; M41-F52 VanDerWaalsContact CG-CE2 3.45Å; M41-F52 HydrophobicContact CG-CZ 3.98Å; M41-F52 PolarHBondContact N-O 3.44Å; M41-F54 HydrophobicContact CG-CD2 4.25Å; M41-F54 HydrophobicContact CG-CE2 4.17Å; M41-F54 HydrophobicContact SD-CD2 4.44Å; M41-F54 HydrophobicContact SD-CE2 4.5Å
42R96Very high95.3Very high89 Ų8966.2 Ų66.234%0.33634%0.34SS..EExtended strand (participates in β ladder)trans-107.6154.9-179.3-73.8164.5-177.3-82.8-6.1111.1T20 V40 K47 R48T20-R42 PolarHBondContact O-NH2 2.97Å; V40-R42 HydrophobicContact CG1-CG 4.45Å; V40-R42 PolarHBondContact O-N 3.04Å; R42-K47 WeakPolarHBondContact CD-O 3.33Å; R42-K47 WeakPolarHBondContact CG-O 3.46Å; R42-K47 PolarHBondContact NH1-O 2.97Å; R42-R48 CarbonylContact C-O 3.47Å; R42-R48 VanDerWaalsContact CA-O 3.28Å; R42-R48 WeakPolarHBondContact CA-O 3.41Å
43D92.3Very high95.3Very high60 Ų6063.9 Ų63.932%0.32133%0.331SS..  trans-67.5128.6170.7171.4-116.5000110.1A45 S46 K47 R48D43-A45 VanDerWaalsContact C-N 3.26Å; D43-A45 PolarHBondContact O-N 3.38Å; D43-A45 PolarHBondContact OD1-N 3.47Å; D43-S46 WeakPolarHBondContact CB-OG 3.45Å; D43-S46 VanDerWaalsContact OD1-CB 3.3Å; D43-S46 WeakPolarHBondContact OD1-CB 3.49Å; D43-S46 PolarHBondContact OD1-N 2.83Å; D43-S46 PolarHBondContact OD1-OG 3.27Å; D43-K47 VanDerWaalsContact O-CA 3.28Å; D43-K47 WeakPolarHBondContact O-CA 3.37Å; D43-K47 PolarHBondContact O-N 2.9Å; D43-R48 PolarHBondContact N-O 2.95Å
44P92.7Very high95.4Very high104 Ų10465.2 Ų65.268%0.67533%0.332SS*.THydrogen-bonded Turntrans-59.8-31-174.9-27.836.4000114.9K47P44-K47 WeakPolarHBondContact O-CE 3.47Å; P44-K47 PolarHBondContact O-NZ 3.37Å
45A94Very high95.4Very high88 Ų8858 Ų5873%0.72730%0.301SS*.THydrogen-bonded Turntrans-87.8-58-176.800000112.2D43D43-A45 VanDerWaalsContact C-N 3.26Å; D43-A45 PolarHBondContact O-N 3.38Å; D43-A45 PolarHBondContact OD1-N 3.47Å
46S93.5Very high95.4Very high76 Ų7657.7 Ų57.753%0.53130%0.299SS..THydrogen-bonded Turntrans-84.2-11.1-174.366.90000114.9D43 R48D43-S46 WeakPolarHBondContact CB-OG 3.45Å; D43-S46 VanDerWaalsContact OD1-CB 3.3Å; D43-S46 WeakPolarHBondContact OD1-CB 3.49Å; D43-S46 PolarHBondContact OD1-N 2.83Å; D43-S46 PolarHBondContact OD1-OG 3.27Å; S46-R48 PolarHBondContact O-N 3.07Å
47K91.3Very high95.5Very high137 Ų13754.2 Ų54.260%0.59628%0.278SS*.  trans58.74.1-175-48.8-53.1-174.1-169.10115.8R42 D43 P44R42-K47 WeakPolarHBondContact CD-O 3.33Å; R42-K47 WeakPolarHBondContact CG-O 3.46Å; R42-K47 PolarHBondContact NH1-O 2.97Å; D43-K47 VanDerWaalsContact O-CA 3.28Å; D43-K47 WeakPolarHBondContact O-CA 3.37Å; D43-K47 PolarHBondContact O-N 2.9Å; P44-K47 WeakPolarHBondContact O-CE 3.47Å; P44-K47 PolarHBondContact O-NZ 3.37Å
48R91.7Very high95.5Very high174 Ų17453.8 Ų53.866%0.65728%0.279SS*.  trans-61.9139.8173.3-172.4179.9-74-163.8-3.1109.8R42 D43 S46R42-R48 CarbonylContact C-O 3.47Å; R42-R48 VanDerWaalsContact CA-O 3.28Å; R42-R48 WeakPolarHBondContact CA-O 3.41Å; D43-R48 PolarHBondContact N-O 2.95Å; S46-R48 PolarHBondContact O-N 3.07Å
49S94.1Very high95.4Very high4 Ų454.7 Ų54.73%0.02829%0.286CS..EExtended strand (participates in β ladder)trans-58.2140.3170.7168.50000110.4S17 F18 G51S17-S49 PolarHBondContact O-OG 2.75Å; F18-S49 WeakPolarHBondContact CD1-O 3.34Å; F18-S49 VanDerWaalsContact O-CB 3.32Å; F18-S49 WeakPolarHBondContact O-CB 3.49Å; S49-G51 PolarHBondContact OG-N 3.41Å; S49-G51 VanDerWaalsContact OG-N 3.1Å
50R94.8Very high95.2Very high138 Ų13854.9 Ų54.952%0.52129%0.285SS..EExtended strand (participates in β ladder)trans-87.17.4174.1-60.9171.160.7-169.5-3.5112.2M41 F52M41-R50 WeakPolarHBondContact O-CB 3.44Å; M41-R50 WeakPolarHBondContact O-CG 3.08Å; M41-R50 PolarHBondContact O-N 2.81Å; R50-F52 VanDerWaalsContact C-N 3.31Å; R50-F52 HydrophobicContact CB-CD1 3.88Å; R50-F52 HydrophobicContact CB-CE1 3.7Å; R50-F52 PolarHBondContact O-N 3.43Å
51G95.2Very high95.1Very high13 Ų1358 Ų5813%0.13431%0.311CS..EExtended strand (participates in β ladder)trans74.915.9-178.800000114.3G15 L16 S49G15-G51 PolarHBondContact N-O 3.38Å; L16-G51 PolarHBondContact N-O 3.32Å; S49-G51 PolarHBondContact OG-N 3.41Å; S49-G51 VanDerWaalsContact OG-N 3.1Å
52F96.6Very high95.2Very high42 Ų4256.8 Ų56.818%0.18430%0.304CS..EExtended strand (participates in β ladder)trans-149.7161.3173.574.6-85.3000112.6F12 I13 M41 R50 F54F12-F52 HydrophobicContact CD2-CD2 4.08Å; F12-F52 HydrophobicContact CE2-CB 3.86Å; F12-F52 AromaticContact CE2-CD2 3.44Å; F12-F52 HydrophobicContact CE2-CD2 3.44Å; F12-F52 VanDerWaalsContact CE2-CD2 3.44Å; F12-F52 HydrophobicContact CE2-CE2 4.15Å; F12-F52 AromaticContact CE2-CG 3.85Å; F12-F52 HydrophobicContact CE2-CG 3.85Å; F12-F52 HydrophobicContact CZ-CB 3.94Å; F12-F52 HydrophobicContact CZ-CD2 4.33Å; F12-F52 HydrophobicContact CZ-CG 4.31Å; I13-F52 CarbonylContact O-C 3.45Å; I13-F52 WeakPolarHBondContact O-CA 3.29Å; I13-F52 WeakPolarHBondContact O-CB 3.07Å; M41-F52 HydrophobicContact CB-CD1 4.47Å; M41-F52 HydrophobicContact CB-CD2 4.03Å; M41-F52 HydrophobicContact CB-CE1 4.16Å; M41-F52 HydrophobicContact CB-CE2 3.72Å; M41-F52 HydrophobicContact CB-CG 4.41Å; M41-F52 HydrophobicContact CB-CZ 3.78Å; M41-F52 WeakPolarHBondContact CB-O 3.16Å; M41-F52 HydrophobicContact CG-CD2 3.83Å; M41-F52 HydrophobicContact CG-CE2 3.45Å; M41-F52 VanDerWaalsContact CG-CE2 3.45Å; M41-F52 HydrophobicContact CG-CZ 3.98Å; M41-F52 PolarHBondContact N-O 3.44Å; R50-F52 VanDerWaalsContact C-N 3.31Å; R50-F52 HydrophobicContact CB-CD1 3.88Å; R50-F52 HydrophobicContact CB-CE1 3.7Å; R50-F52 PolarHBondContact O-N 3.43Å; F52-F54 HydrophobicContact CD2-CE2 4.38Å; F52-F54 HydrophobicContact CE2-CE2 4.12Å
53G97Very high95.2Very high0 Ų052.5 Ų52.50%029%0.288CS..EExtended strand (participates in β ladder)trans-152.9-174.3178.500000112.3I13 V39I13-G53 PolarHBondContact N-O 3.22Å; I13-G53 PolarHBondContact O-N 2.84Å; V39-G53 CarbonylContact O-C 3.57Å; V39-G53 WeakPolarHBondContact O-CA 3.37Å
54F97.8Very high95.4Very high44 Ų4451.9 Ų51.919%0.19329%0.285CS..EExtended strand (participates in β ladder)trans-134.2145.3170.9-61.9-92.6000110.5K10 L11 F12 C38 V39 M41 F52 A84K10-F54 HydrophobicContact CD-CD1 4.46Å; K10-F54 HydrophobicContact CG-CB 4.46Å; K10-F54 HydrophobicContact CG-CD1 4.44Å; L11-F54 VanDerWaalsContact O-CA 3.22Å; L11-F54 WeakPolarHBondContact O-CA 3.32Å; F12-F54 HydrophobicContact CB-CD1 4.08Å; F12-F54 HydrophobicContact CB-CE1 3.82Å; F12-F54 AromaticContact CD2-CE1 3.88Å; F12-F54 HydrophobicContact CD2-CE1 3.88Å; F12-F54 AromaticContact CD2-CZ 3.92Å; F12-F54 HydrophobicContact CD2-CZ 3.92Å; F12-F54 HydrophobicContact CG-CE1 4.36Å; C38-F54 WeakPolarHBondContact CA-O 3.5Å; V39-F54 HydrophobicContact CG1-CB 3.98Å; V39-F54 HydrophobicContact CG1-CD2 4.28Å; V39-F54 PolarHBondContact N-O 3.31Å; V39-F54 PolarHBondContact O-N 3.06Å; M41-F54 HydrophobicContact CG-CD2 4.25Å; M41-F54 HydrophobicContact CG-CE2 4.17Å; M41-F54 HydrophobicContact SD-CD2 4.44Å; M41-F54 HydrophobicContact SD-CE2 4.5Å; F52-F54 HydrophobicContact CD2-CE2 4.38Å; F52-F54 HydrophobicContact CE2-CE2 4.12Å; F54-A84 HydrophobicContact CD1-CB 4.29Å; F54-A84 HydrophobicContact CE1-CB 4.29Å
55V97.9Very high95.6Very high0 Ų049 Ų490%027%0.27CS..EExtended strand (participates in β ladder)trans-126.3142.2169.4-60.60000109.5K10 L11 I13 L25 Y29 L35 F57K10-V55 CarbonylContact C-O 3.42Å; K10-V55 WeakPolarHBondContact CA-O 3.3Å; L11-V55 HydrophobicContact CB-CG2 3.95Å; L11-V55 HydrophobicContact CD1-CG2 4.48Å; L11-V55 PolarHBondContact N-O 3.38Å; L11-V55 PolarHBondContact O-N 2.73Å; L11-V55 VanDerWaalsContact O-N 3.08Å; I13-V55 HydrophobicContact CD1-CG2 4Å; I13-V55 HydrophobicContact CG1-CG1 4.4Å; I13-V55 HydrophobicContact CG1-CG2 4.17Å; L25-V55 HydrophobicContact CD1-CG1 4.34Å; L25-V55 HydrophobicContact CD2-CG1 3.93Å; L25-V55 HydrophobicContact CG-CG1 3.8Å; Y29-V55 HydrophobicContact CD1-CG2 4.41Å; Y29-V55 HydrophobicContact CD2-CG1 3.83Å; Y29-V55 HydrophobicContact CD2-CG2 4.12Å; Y29-V55 HydrophobicContact CG-CG1 4.3Å; Y29-V55 HydrophobicContact CG-CG2 4.05Å; L35-V55 HydrophobicContact CD1-CB 4.12Å; L35-V55 HydrophobicContact CD1-CG1 4.11Å; L35-V55 HydrophobicContact CD2-CB 3.9Å; L35-V55 HydrophobicContact CD2-CG2 4.41Å; V55-F57 HydrophobicContact CG2-CE2 3.94Å
56T97.7Very high95.8Very high0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-127.9106-176.3-42.30000110.5E6 R9 K10 L35 T36 D37E6-T56 HydrophobicContact CG-CG2 3.64Å; R9-T56 HydrophobicContact CB-CG2 4.44Å; R9-T56 CarbonylContact O-C 3.58Å; R9-T56 WeakPolarHBondContact O-CA 3.49Å; K10-T56 HydrophobicContact CB-CG2 4.2Å; K10-T56 HydrophobicContact CG-CG2 4.4Å; K10-T56 PolarHBondContact NZ-OG1 3.3Å; L35-T56 CarbonylContact C-O 3.58Å; L35-T56 WeakPolarHBondContact CA-O 3.33Å; T36-T56 PolarHBondContact N-O 2.82Å; T36-T56 PolarHBondContact OG1-O 2.86Å; D37-T56 PolarHBondContact N-O 3.08Å; D37-T56 PolarHBondContact O-N 3.13Å; D37-T56 PolarHBondContact OD2-OG1 2.96Å
57F97.9Very high95.9Very high0 Ų041.2 Ų41.20%021%0.21CC..EExtended strand (participates in β ladder)trans-72.9172.7-179.9-75-85.1000112.9R9 L11 Y29 W32 K34 L35 T36 V55 E62 V63 A66R9-F57 PolarHBondContact NH1-O 3.36Å; R9-F57 PolarHBondContact O-N 3.19Å; L11-F57 HydrophobicContact CD1-CE2 4.19Å; Y29-F57 HydrophobicContact CD1-CE2 4.42Å; Y29-F57 HydrophobicContact CD1-CZ 4.07Å; Y29-F57 HydrophobicContact CG-CZ 4.44Å; Y29-F57 WeakPolarHBondContact O-CE1 3.46Å; Y29-F57 WeakPolarHBondContact O-CZ 3.34Å; W32-F57 HydrophobicContact CB-CE1 4.18Å; W32-F57 HydrophobicContact CB-CZ 4.39Å; K34-F57 CarbonylContact O-C 3.5Å; K34-F57 WeakPolarHBondContact O-CA 3.47Å; L35-F57 HydrophobicContact CD2-CD1 3.66Å; L35-F57 HydrophobicContact CD2-CD2 3.88Å; L35-F57 HydrophobicContact CD2-CE1 3.66Å; L35-F57 HydrophobicContact CD2-CE2 3.89Å; L35-F57 HydrophobicContact CD2-CG 3.79Å; L35-F57 HydrophobicContact CD2-CZ 3.79Å; T36-F57 PolarHBondContact OG1-O 3.22Å; V55-F57 HydrophobicContact CG2-CE2 3.94Å; F57-E62 HydrophobicContact CB-CB 3.87Å; F57-E62 HydrophobicContact CD1-CB 3.5Å; F57-E62 VanDerWaalsContact CD1-CB 3.5Å; F57-E62 HydrophobicContact CD1-CG 4.43Å; F57-E62 HydrophobicContact CE1-CB 4.24Å; F57-E62 HydrophobicContact CG-CB 3.85Å; F57-V63 HydrophobicContact CB-CG2 4.02Å; F57-V63 HydrophobicContact CD2-CG2 3.78Å; F57-V63 HydrophobicContact CG-CG2 4.22Å; F57-A66 HydrophobicContact CE2-CB 4.03Å; F57-A66 HydrophobicContact CZ-CB 3.86Å
58S96.1Very high96.1Very high49 Ų4938.8 Ų38.834%0.34322%0.216SC..SBendtrans-81.6-24.3179.783.80000113.1R9 K34 E62R9-S58 WeakPolarHBondContact CD-O 3.42Å; R9-S58 PolarHBondContact NH1-O 3.45Å; K34-S58 PolarHBondContact O-N 3.41Å; S58-E62 VanDerWaalsContact CA-OE2 3.29Å; S58-E62 WeakPolarHBondContact CA-OE2 3.31Å; S58-E62 WeakPolarHBondContact CB-OE2 3.33Å; S58-E62 PolarHBondContact N-OE2 3.01Å; S58-E62 VanDerWaalsContact OG-CD 3.27Å; S58-E62 PolarHBondContact OG-OE1 2.97Å; S58-E62 PolarHBondContact OG-OE2 2.7Å
59S95.3Very high96.4Very high31 Ų3132.6 Ų32.622%0.21720%0.201CC..SBendtrans-141.9164.3179.364.60000112.8E4 R9 A61 E62E4-S59 WeakPolarHBondContact OE2-CA 3.22Å; R9-S59 VanDerWaalsContact CD-CA 3.45Å; S59-A61 VanDerWaalsContact C-N 3.33Å; S59-E62 PolarHBondContact N-OE2 3.13Å; S59-E62 VanDerWaalsContact OG-CG 3.3Å; S59-E62 WeakPolarHBondContact OG-CG 3.42Å; S59-E62 PolarHBondContact OG-N 2.88Å; S59-E62 PolarHBondContact OG-OE2 2.9Å
60M94.5Very high96.5Very high44 Ų4435.7 Ų35.722%0.21721%0.213CC..Hα-helixtrans-68.7-30.9171.7-166.8-162.9-52.300111.9E4 F8 E62 V63 D64E4-M60 WeakPolarHBondContact OE1-CB 3.35Å; E4-M60 PolarHBondContact OE2-N 3.22Å; F8-M60 HydrophobicContact CB-CE 4.01Å; F8-M60 HydrophobicContact CD1-CE 4.07Å; F8-M60 HydrophobicContact CG-CE 4.15Å; M60-E62 VanDerWaalsContact C-N 3.31Å; M60-E62 PolarHBondContact O-N 2.93Å; M60-V63 WeakPolarHBondContact O-CA 3.45Å; M60-V63 WeakPolarHBondContact O-CB 3.32Å; M60-V63 PolarHBondContact O-N 3.25Å; M60-V63 VanDerWaalsContact O-N 3.07Å; M60-D64 PolarHBondContact O-N 3.38Å
61A95.4Very high96.6Very high69 Ų6934.6 Ų34.657%0.5722%0.223SC*.Hα-helixtrans-62.4-36.1179.400000112.8S59 D64 A65S59-A61 VanDerWaalsContact C-N 3.33Å; A61-D64 PolarHBondContact O-N 2.62Å; A61-A65 WeakPolarHBondContact O-CB 3.3Å; A61-A65 PolarHBondContact O-N 3.48Å
62E97.1Very high96.7Very high30 Ų3034 Ų3414%0.1422%0.217CC..Hα-helixtrans-69.7-33.5173.8-63.816212700111.8G33 K34 F57 S58 S59 M60 A66G33-E62 WeakPolarHBondContact CA-OE1 3.22Å; K34-E62 PolarHBondContact N-OE1 3.43Å; F57-E62 HydrophobicContact CB-CB 3.87Å; F57-E62 HydrophobicContact CD1-CB 3.5Å; F57-E62 VanDerWaalsContact CD1-CB 3.5Å; F57-E62 HydrophobicContact CD1-CG 4.43Å; F57-E62 HydrophobicContact CE1-CB 4.24Å; F57-E62 HydrophobicContact CG-CB 3.85Å; S58-E62 VanDerWaalsContact CA-OE2 3.29Å; S58-E62 WeakPolarHBondContact CA-OE2 3.31Å; S58-E62 WeakPolarHBondContact CB-OE2 3.33Å; S58-E62 PolarHBondContact N-OE2 3.01Å; S58-E62 VanDerWaalsContact OG-CD 3.27Å; S58-E62 PolarHBondContact OG-OE1 2.97Å; S58-E62 PolarHBondContact OG-OE2 2.7Å; S59-E62 PolarHBondContact N-OE2 3.13Å; S59-E62 VanDerWaalsContact OG-CG 3.3Å; S59-E62 WeakPolarHBondContact OG-CG 3.42Å; S59-E62 PolarHBondContact OG-N 2.88Å; S59-E62 PolarHBondContact OG-OE2 2.9Å; M60-E62 VanDerWaalsContact C-N 3.31Å; M60-E62 PolarHBondContact O-N 2.93Å; E62-A66 WeakPolarHBondContact O-CB 3.25Å; E62-A66 PolarHBondContact O-N 3.41Å
63V97Very high96.7Very high0 Ų034.8 Ų34.80%023%0.227CC..Hα-helixtrans-63.8-46.2170.3176.80000110.9R9 L11 F57 M60 A65 A66 M67R9-V63 WeakPolarHBondContact O-CG2 3.44Å; L11-V63 HydrophobicContact CD1-CG1 4.4Å; L11-V63 HydrophobicContact CD2-CG1 3.56Å; L11-V63 HydrophobicContact CG-CG1 3.94Å; F57-V63 HydrophobicContact CB-CG2 4.02Å; F57-V63 HydrophobicContact CD2-CG2 3.78Å; F57-V63 HydrophobicContact CG-CG2 4.22Å; M60-V63 WeakPolarHBondContact O-CA 3.45Å; M60-V63 WeakPolarHBondContact O-CB 3.32Å; M60-V63 PolarHBondContact O-N 3.25Å; M60-V63 VanDerWaalsContact O-N 3.07Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.98Å; V63-A66 PolarHBondContact O-N 3.21Å; V63-M67 HydrophobicContact CG1-CG 4.24Å; V63-M67 WeakPolarHBondContact O-CB 3.18Å; V63-M67 WeakPolarHBondContact O-CG 3.28Å; V63-M67 PolarHBondContact O-N 2.77Å
64D96Very high96.6Very high46 Ų4635 Ų3525%0.24623%0.228CC..Hα-helixtrans-61.6-41.8178.3-71.8-6.1000111.1M60 A61 M67 A68 R83 K156M60-D64 PolarHBondContact O-N 3.38Å; A61-D64 PolarHBondContact O-N 2.62Å; D64-M67 PolarHBondContact O-N 3.37Å; D64-A68 VanDerWaalsContact O-CB 3.3Å; D64-A68 WeakPolarHBondContact O-CB 3.41Å; D64-A68 PolarHBondContact O-N 2.89Å; D64-R83 IonicContact OD1-CZ 2.7Å; D64-R83 IonicContact OD1-NH1 2.71Å; D64-R83 PolarHBondContact OD1-NH1 2.76Å; D64-R83 IonicContact OD1-NH2 3.18Å; D64-R83 PolarHBondContact OD1-NH2 2.78Å; D64-K156 IonicContact OD1-NZ 2.74Å; D64-K156 IonicContact OD2-NZ 2.69Å; D64-K156 PolarHBondContact OD2-NZ 3.02Å
65A96.8Very high96.5Very high44 Ų4436.3 Ų36.336%0.36424%0.237SC..Hα-helixtrans-62.3-44.4174.100000112.5A61 V63 A68 A69A61-A65 WeakPolarHBondContact O-CB 3.3Å; A61-A65 PolarHBondContact O-N 3.48Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.98Å; A65-A68 PolarHBondContact O-N 2.93Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 2.91Å
66A97.6Very high96.3Very high0 Ų040.1 Ų40.10%028%0.277CS..Hα-helixtrans-65.5-36.5175.400000112.3L11 Y29 W32 F57 E62 V63 H72L11-A66 HydrophobicContact CD1-CB 4.28Å; Y29-A66 HydrophobicContact CD1-CB 4.44Å; W32-A66 HydrophobicContact CB-CB 4.04Å; W32-A66 HydrophobicContact CD2-CB 4.02Å; W32-A66 HydrophobicContact CE3-CB 4.12Å; W32-A66 HydrophobicContact CG-CB 3.99Å; F57-A66 HydrophobicContact CE2-CB 4.03Å; F57-A66 HydrophobicContact CZ-CB 3.86Å; E62-A66 WeakPolarHBondContact O-CB 3.25Å; E62-A66 PolarHBondContact O-N 3.41Å; V63-A66 PolarHBondContact O-N 3.21Å; A66-H72 PolarHBondContact O-CE1 2.92Å; A66-H72 PolarHBondContact O-NE2 3.49Å
67M96.8Very high96.2Very high1 Ų145.6 Ų45.61%0.00530%0.298CS..Hα-helixtrans-76.1-30.2177.2-70.4-57.1-72.500113L11 V63 D64 A69 R70 P81 D152L11-M67 HydrophobicContact CD1-CG 4.32Å; L11-M67 HydrophobicContact CD1-SD 3.96Å; L11-M67 HydrophobicContact CD2-CG 3.9Å; L11-M67 HydrophobicContact CD2-SD 3.68Å; L11-M67 HydrophobicContact CG-SD 4.5Å; V63-M67 HydrophobicContact CG1-CG 4.24Å; V63-M67 WeakPolarHBondContact O-CB 3.18Å; V63-M67 WeakPolarHBondContact O-CG 3.28Å; V63-M67 PolarHBondContact O-N 2.77Å; D64-M67 PolarHBondContact O-N 3.37Å; M67-A69 VanDerWaalsContact C-N 3.31Å; M67-R70 PolarHBondContact O-NE 2.67Å; M67-R70 PolarHBondContact O-NH2 2.73Å; M67-R70 VanDerWaalsContact O-NH2 3.1Å; M67-P81 WeakPolarHBondContact CE-O 3.37Å; M67-P81 HydrophobicContact SD-CB 3.8Å; M67-P81 HydrophobicContact SD-CG 4.06Å; M67-D152 WeakPolarHBondContact CB-OD2 3.15Å; M67-D152 HydrophobicContact CE-CB 3.83Å; M67-D152 WeakPolarHBondContact CE-OD1 3.16Å
68A95.9Very high96.2Very high86 Ų8650.4 Ų50.471%0.71133%0.327SS*.Hα-helixtrans-68.8-28.7173.500000112.8D64 A65 R70D64-A68 VanDerWaalsContact O-CB 3.3Å; D64-A68 WeakPolarHBondContact O-CB 3.41Å; D64-A68 PolarHBondContact O-N 2.89Å; A65-A68 PolarHBondContact O-N 2.93Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 2.81Å
69A96.8Very high96.3Very high43 Ų4348.3 Ų48.336%0.35531%0.312SS..THydrogen-bonded Turntrans-87.113.7-177.400000115.2W32 A65 M67 H72W32-A69 HydrophobicContact CZ2-CB 3.62Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 2.91Å; M67-A69 VanDerWaalsContact C-N 3.31Å; A69-H72 VanDerWaalsContact C-CE1 3.41Å; A69-H72 PolarHBondContact O-CE1 2.88Å; A69-H72 PolarHBondContact O-ND1 2.87Å
70R96.4Very high96.3Very high70 Ų7052.2 Ų52.226%0.26433%0.327SS..PPolyproline II helixtrans-61.1153.4173-85.1175-72.115511.9111.6M67 A68 P81 D150 H151M67-R70 PolarHBondContact O-NE 2.67Å; M67-R70 PolarHBondContact O-NH2 2.73Å; M67-R70 VanDerWaalsContact O-NH2 3.1Å; A68-R70 VanDerWaalsContact C-N 3.33Å; A68-R70 PolarHBondContact O-N 2.81Å; R70-P81 HydrophobicContact CG-CG 3.59Å; R70-D150 IonicContact CZ-OD2 2.73Å; R70-D150 VanDerWaalsContact NH1-CG 3.27Å; R70-D150 IonicContact NH1-OD1 3.53Å; R70-D150 PolarHBondContact NH1-OD1 2.71Å; R70-D150 IonicContact NH1-OD2 3.18Å; R70-D150 PolarHBondContact NH1-OD2 3.45Å; R70-D150 IonicContact NH2-OD2 2.74Å; R70-D150 PolarHBondContact NH2-OD2 2.74Å; R70-H151 PolarHBondContact NH1-NE2 2.72Å
71P96.5Very high96.4Very high114 Ų11450.4 Ų50.474%0.7432%0.318SS*.SBendcis-83.1147.40.133.3-35.1000113
72H97.4Very high96.4Very high2 Ų248.5 Ų48.51%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-97.4148179.9-69.2-30.7000112.2Y28 Y29 W32 A66 A69 V78 V79Y28-H72 HydrophobicContact CE1-CB 3.85Å; Y28-H72 AromaticContact CE1-CG 3.87Å; Y28-H72 WeakPolarHBondContact OH-CA 3.11Å; Y28-H72 PolarHBondContact OH-ND1 2.77Å; Y29-H72 AromaticContact CE1-CD2 3.66Å; Y29-H72 AromaticContact CE1-NE2 3.99Å; Y29-H72 AromaticContact CZ-CD2 3.9Å; Y29-H72 PolarHBondContact OH-CD2 2.86Å; Y29-H72 VanDerWaalsContact OH-CD2 3.3Å; W32-H72 AromaticContact CH2-CE1 3.11Å; W32-H72 WeakPolarHBondContact CH2-CE1 3.28Å; W32-H72 AromaticContact CH2-ND1 3.34Å; W32-H72 VanDerWaalsContact CH2-ND1 3.34Å; W32-H72 WeakPolarHBondContact CH2-ND1 3.46Å; W32-H72 AromaticContact CH2-NE2 3.76Å; W32-H72 AromaticContact CZ2-CE1 3.2Å; W32-H72 WeakPolarHBondContact CZ2-CE1 3.2Å; W32-H72 AromaticContact CZ2-ND1 3.74Å; W32-H72 AromaticContact CZ3-CE1 3.95Å; A66-H72 PolarHBondContact O-CE1 2.92Å; A66-H72 PolarHBondContact O-NE2 3.49Å; A69-H72 VanDerWaalsContact C-CE1 3.41Å; A69-H72 PolarHBondContact O-CE1 2.88Å; A69-H72 PolarHBondContact O-ND1 2.87Å; H72-V78 CarbonylContact O-C 3.49Å; H72-V78 VanDerWaalsContact O-CA 3.31Å; H72-V78 WeakPolarHBondContact O-CA 3.39Å; H72-V79 HydrophobicContact CB-CG2 3.51Å; H72-V79 PolarHBondContact O-N 2.8Å
73S96.9Very high96.3Very high57 Ų5747.6 Ų47.640%0.39929%0.292SS..EExtended strand (participates in β ladder)trans-136.6119.9176.8-171.20000110Y28 R77Y28-S73 WeakPolarHBondContact CE2-O 3.34Å; Y28-S73 PolarHBondContact OH-N 3.49Å; Y28-S73 VanDerWaalsContact OH-N 3.09Å; Y28-S73 PolarHBondContact OH-O 3.2Å; S73-R77 CarbonylContact C-O 3.42Å; S73-R77 WeakPolarHBondContact CA-O 3.33Å
74I96Very high96.2Very high4 Ų447.7 Ų47.72%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-129.9131-173-47.9-175000107.7T20 L25 Y28 Y29 G76 R77 V79T20-I74 HydrophobicContact CG2-CG2 4.42Å; L25-I74 HydrophobicContact CD1-CD1 3.76Å; Y28-I74 HydrophobicContact CD1-CD1 3.41Å; Y28-I74 VanDerWaalsContact CD1-CD1 3.41Å; Y28-I74 HydrophobicContact CD1-CG1 3.55Å; Y28-I74 HydrophobicContact CD2-CG1 4.18Å; Y28-I74 HydrophobicContact CE1-CD1 3.83Å; Y28-I74 HydrophobicContact CE1-CG1 3.67Å; Y28-I74 HydrophobicContact CE2-CG1 4.3Å; Y28-I74 HydrophobicContact CG-CD1 3.95Å; Y28-I74 HydrophobicContact CG-CG1 3.81Å; Y29-I74 HydrophobicContact CD2-CD1 4.15Å; Y29-I74 HydrophobicContact CE2-CD1 3.45Å; Y29-I74 VanDerWaalsContact CE2-CD1 3.45Å; I74-G76 PolarHBondContact O-N 2.94Å; I74-R77 PolarHBondContact N-O 3.46Å; I74-R77 PolarHBondContact O-N 2.93Å; I74-V79 HydrophobicContact CB-CG1 4.11Å; I74-V79 HydrophobicContact CD1-CG1 4.28Å; I74-V79 HydrophobicContact CD1-CG2 3.89Å; I74-V79 HydrophobicContact CG1-CG1 4.06Å; I74-V79 HydrophobicContact CG1-CG2 3.99Å
75D94.8Very high95.9Very high72 Ų7246.8 Ų46.839%0.38529%0.289SS..THydrogen-bonded Turntrans49.543.3-178.6-50.7-42.6000113T20 S24 R77T20-D75 WeakPolarHBondContact CA-OD2 3.48Å; T20-D75 WeakPolarHBondContact CB-OD2 3.31Å; T20-D75 WeakPolarHBondContact CG2-OD2 3.03Å; T20-D75 PolarHBondContact OG1-OD2 2.84Å; S24-D75 WeakPolarHBondContact CB-OD1 3.47Å; S24-D75 PolarHBondContact OG-OD1 3.42Å; S24-D75 PolarHBondContact OG-OD2 2.97Å; D75-R77 VanDerWaalsContact C-N 3.28Å; D75-R77 PolarHBondContact O-N 3.1Å
76G94.1Very high95.4Very high81 Ų8145.5 Ų45.584%0.83528%0.279SS*.THydrogen-bonded Turntrans77.10.7-18000000115.8I74I74-G76 PolarHBondContact O-N 2.94Å
77R95.9Very high94.7Very high114 Ų11456 Ų5643%0.4332%0.319SS..EExtended strand (participates in β ladder)trans-117.9132.8-175.6-173.2168.9179.2167.44.3112G15 L16 S73 I74 D75 V79G15-R77 WeakPolarHBondContact O-CD 3.44Å; G15-R77 WeakPolarHBondContact O-CG 3.3Å; G15-R77 PolarHBondContact O-NE 2.73Å; L16-R77 PolarHBondContact O-NH1 3.15Å; S73-R77 CarbonylContact C-O 3.42Å; S73-R77 WeakPolarHBondContact CA-O 3.33Å; I74-R77 PolarHBondContact N-O 3.46Å; I74-R77 PolarHBondContact O-N 2.93Å; D75-R77 VanDerWaalsContact C-N 3.28Å; D75-R77 PolarHBondContact O-N 3.1Å; R77-V79 WeakPolarHBondContact O-CG1 3.15Å; R77-V79 PolarHBondContact O-N 3.36Å
78V97Very high94.1Very high101 Ų10163.1 Ų63.161%0.61235%0.352SS*.EExtended strand (participates in β ladder)trans-67.7129.2171.4-179.20000109.6H72H72-V78 CarbonylContact O-C 3.49Å; H72-V78 VanDerWaalsContact O-CA 3.31Å; H72-V78 WeakPolarHBondContact O-CA 3.39Å
79V97.4Very high93.5Very high6 Ų661.4 Ų61.44%0.03633%0.329CS..EExtended strand (participates in β ladder)trans-113.1153.7-175.5-54.90000111.7I13 G14 L16 H72 I74 R77 P81I13-V79 HydrophobicContact CG2-CB 3.93Å; I13-V79 HydrophobicContact CG2-CG2 3.87Å; G14-V79 WeakPolarHBondContact O-CA 3.15Å; G14-V79 WeakPolarHBondContact O-CB 3.45Å; L16-V79 HydrophobicContact CD2-CB 4.45Å; L16-V79 HydrophobicContact CD2-CG1 3.85Å; H72-V79 HydrophobicContact CB-CG2 3.51Å; H72-V79 PolarHBondContact O-N 2.8Å; I74-V79 HydrophobicContact CB-CG1 4.11Å; I74-V79 HydrophobicContact CD1-CG1 4.28Å; I74-V79 HydrophobicContact CD1-CG2 3.89Å; I74-V79 HydrophobicContact CG1-CG1 4.06Å; I74-V79 HydrophobicContact CG1-CG2 3.99Å; R77-V79 WeakPolarHBondContact O-CG1 3.15Å; R77-V79 PolarHBondContact O-N 3.36Å; V79-P81 WeakPolarHBondContact O-CD 3.48Å
80E95.4Very high92.8Very high113 Ų11361.2 Ų61.253%0.52833%0.325SS..EExtended strand (participates in β ladder)trans-104.490.4177.5-73.4-174.7-140.500110.8G14 K82G14-E80 PolarHBondContact N-O 2.66Å; G14-E80 PolarHBondContact O-N 2.96Å; E80-K82 WeakPolarHBondContact OE2-CE 3.41Å; E80-K82 IonicContact OE2-NZ 2.73Å; E80-K82 PolarHBondContact OE2-NZ 2.73Å
81P96.9Very high92.1Very high5 Ų561.3 Ų61.33%0.03235%0.348CS..EExtended strand (participates in β ladder)trans-73.1136.4169.236.1-39000109.8L11 F12 I13 M67 R70 V79L11-P81 HydrophobicContact CD1-CB 4.46Å; F12-P81 CarbonylContact O-C 3.6Å; F12-P81 WeakPolarHBondContact O-CA 3.36Å; I13-P81 HydrophobicContact CD1-CB 3.85Å; M67-P81 WeakPolarHBondContact CE-O 3.37Å; M67-P81 HydrophobicContact SD-CB 3.8Å; M67-P81 HydrophobicContact SD-CG 4.06Å; R70-P81 HydrophobicContact CG-CG 3.59Å; V79-P81 WeakPolarHBondContact O-CD 3.48Å
82K96Very high91.4Very high30 Ų3059.8 Ų59.813%0.1333%0.33CS..EExtended strand (participates in β ladder)trans-143.4150.8174.1-56-175.8-175.4170.50108.3L11 F12 E80 A84 T98L11-K82 CarbonylContact C-O 3.58Å; L11-K82 WeakPolarHBondContact CA-O 3.1Å; F12-K82 HydrophobicContact CD1-CB 4.44Å; F12-K82 PolarHBondContact N-O 3.1Å; F12-K82 PolarHBondContact O-N 2.85Å; F12-K82 VanDerWaalsContact O-O 3.14Å; E80-K82 WeakPolarHBondContact OE2-CE 3.41Å; E80-K82 IonicContact OE2-NZ 2.73Å; E80-K82 PolarHBondContact OE2-NZ 2.73Å; K82-A84 PolarHBondContact O-N 2.74Å; K82-T98 PolarHBondContact NZ-OG1 3.02Å
83R95.2Very high90.5Very high10 Ų1062.8 Ų62.84%0.03835%0.35CS..EExtended strand (participates in β ladder)trans-62.4136.5174.7-58.2-173.4-171.2-115-5.7109.4L11 D64 V85 D152 D155 L159L11-R83 HydrophobicContact CD2-CG 4.03Å; D64-R83 IonicContact OD1-CZ 2.7Å; D64-R83 IonicContact OD1-NH1 2.71Å; D64-R83 PolarHBondContact OD1-NH1 2.76Å; D64-R83 IonicContact OD1-NH2 3.18Å; D64-R83 PolarHBondContact OD1-NH2 2.78Å; R83-V85 PolarHBondContact O-N 3.27Å; R83-D152 WeakPolarHBondContact CG-OD1 3.43Å; R83-D152 IonicContact CZ-OD1 2.67Å; R83-D152 IonicContact CZ-OD2 3.53Å; R83-D152 IonicContact NE-OD1 3.45Å; R83-D152 PolarHBondContact NE-OD1 3.07Å; R83-D152 IonicContact NE-OD2 2.72Å; R83-D152 IonicContact NH2-OD1 3.51Å; R83-D152 PolarHBondContact NH2-OD1 3.31Å; R83-D152 IonicContact NH2-OD2 3.55Å; R83-D152 PolarHBondContact NH2-OD2 3.32Å; R83-D155 HydrophobicContact CB-CB 4.21Å; R83-D155 HydrophobicContact CG-CB 4.33Å; R83-L159 HydrophobicContact CB-CD1 4.37Å
84A94.2Very high89.8Confident2 Ų260.8 Ų60.82%0.01734%0.338CS..PPolyproline II helixtrans-63.9131.8-177.700000109.3Q7 K10 F54 K82Q7-A84 PolarHBondContact NE2-O 3.39Å; K10-A84 HydrophobicContact CB-CB 3.94Å; K10-A84 HydrophobicContact CD-CB 4.34Å; K10-A84 HydrophobicContact CG-CB 4Å; K10-A84 VanDerWaalsContact O-CB 3.25Å; K10-A84 WeakPolarHBondContact O-CB 3.24Å; K10-A84 PolarHBondContact O-N 2.69Å; F54-A84 HydrophobicContact CD1-CB 4.29Å; F54-A84 HydrophobicContact CE1-CB 4.29Å; K82-A84 PolarHBondContact O-N 2.74Å
85V90.3Very high89.2Confident27 Ų2761.4 Ų61.416%0.16434%0.344CS..PPolyproline II helixtrans-77.1137.8169.9-179.90000108.5Q7 R83 E89 A95 H96Q7-V85 PolarHBondContact NE2-O 3.46Å; R83-V85 PolarHBondContact O-N 3.27Å; V85-E89 HydrophobicContact CG1-CB 3.86Å; V85-A95 HydrophobicContact CG1-CB 3.91Å; V85-H96 VanDerWaalsContact CB-CE1 3.44Å; V85-H96 WeakPolarHBondContact CB-CE1 3.45Å
86A86.1Confident88.8Confident18 Ų1863.1 Ų63.115%0.14935%0.349CS..PPolyproline II helixtrans-62.3149.7175.700000111.4Q7 E88 E89 S90Q7-A86 VanDerWaalsContact CD-CA 3.5Å; Q7-A86 HydrophobicContact CG-CB 4.13Å; A86-E88 PolarHBondContact O-N 2.78Å; A86-E89 HydrophobicContact CB-CB 4.36Å; A86-E89 HydrophobicContact CB-CG 4.17Å; A86-E89 CarbonylContact O-C 3.57Å; A86-E89 WeakPolarHBondContact O-CA 3.3Å; A86-E89 PolarHBondContact O-N 3.42Å; A86-S90 PolarHBondContact O-N 2.94Å; A86-S90 PolarHBondContact O-OG 3.42Å
87R83.5Confident88.5Confident220 Ų22061.8 Ų61.883%0.8332%0.324SS*.Hα-helixtrans-64.1-33.6-172.8-173.4177.3178.3-179.8-1.2112.1E89R87-E89 PolarHBondContact O-N 3.36Å
88E83.8Confident88.3Confident150 Ų15059.5 Ų59.570%0.70132%0.323SS*.Hα-helixtrans-71.3-20.7176.1-56.166.4-143.100112A86A86-E88 PolarHBondContact O-N 2.78Å
89E82.6Confident88.2Confident51 Ų5155.8 Ų55.824%0.23830%0.301CS..Hα-helixtrans-100.5-24.6179.5-59.7-146130.300113.2V85 A86 R87 G91 K92 A95V85-E89 HydrophobicContact CG1-CB 3.86Å; A86-E89 HydrophobicContact CB-CB 4.36Å; A86-E89 HydrophobicContact CB-CG 4.17Å; A86-E89 CarbonylContact O-C 3.57Å; A86-E89 WeakPolarHBondContact O-CA 3.3Å; A86-E89 PolarHBondContact O-N 3.42Å; R87-E89 PolarHBondContact O-N 3.36Å; E89-G91 PolarHBondContact O-N 3.25Å; E89-G91 VanDerWaalsContact O-N 3.12Å; E89-K92 HydrophobicContact CB-CD 4.13Å; E89-K92 HydrophobicContact CG-CD 4.23Å; E89-K92 VanDerWaalsContact O-CB 3.22Å; E89-K92 WeakPolarHBondContact O-CB 3.46Å; E89-K92 WeakPolarHBondContact O-CG 3.45Å; E89-K92 PolarHBondContact O-N 3.3Å; E89-K92 IonicContact OE1-NZ 3.87Å; E89-K92 PolarHBondContact OE1-NZ 3.12Å; E89-A95 WeakPolarHBondContact O-CB 3.28Å
90S82.6Confident88.1Confident38 Ų3860.6 Ų60.627%0.26632%0.321SS..Hα-helixtrans-55.3-30.1176.7-72.20000113.8A86 K92 H96A86-S90 PolarHBondContact O-N 2.94Å; A86-S90 PolarHBondContact O-OG 3.42Å; S90-K92 VanDerWaalsContact C-N 3.32Å; S90-H96 WeakPolarHBondContact CA-NE2 3.17Å; S90-H96 WeakPolarHBondContact CB-NE2 3.44Å; S90-H96 PolarHBondContact O-NE2 3.13Å; S90-H96 PolarHBondContact OG-CE1 2.89Å; S90-H96 PolarHBondContact OG-NE2 2.78Å
91G80.9Confident88.2Confident73 Ų7358.2 Ų58.275%0.75331%0.309SS*.THydrogen-bonded Turntrans-81.7-2174.500000115E89E89-G91 PolarHBondContact O-N 3.25Å; E89-G91 VanDerWaalsContact O-N 3.12Å
92K82.3Confident88.1Confident82 Ų8258 Ų5836%0.35731%0.307SS..SBendtrans-82.5131.1174.4-60.1173.3-174.1-178.30108.7E89 S90 G94 A95E89-K92 HydrophobicContact CB-CD 4.13Å; E89-K92 HydrophobicContact CG-CD 4.23Å; E89-K92 VanDerWaalsContact O-CB 3.22Å; E89-K92 WeakPolarHBondContact O-CB 3.46Å; E89-K92 WeakPolarHBondContact O-CG 3.45Å; E89-K92 PolarHBondContact O-N 3.3Å; E89-K92 IonicContact OE1-NZ 3.87Å; E89-K92 PolarHBondContact OE1-NZ 3.12Å; S90-K92 VanDerWaalsContact C-N 3.32Å; K92-G94 PolarHBondContact O-N 3.26Å; K92-A95 HydrophobicContact CB-CB 4.37Å; K92-A95 VanDerWaalsContact O-CB 3.29Å; K92-A95 WeakPolarHBondContact O-CB 3.19Å; K92-A95 PolarHBondContact O-N 3.38Å; K92-A95 VanDerWaalsContact O-N 3.15Å
93P79.2Confident88.1Confident65 Ų6558.9 Ų58.942%0.42231%0.312SS..THydrogen-bonded Turntrans-60.8136.4173.927.8-35.3000109.6V184P93-V184 HydrophobicContact CB-CG2 3.49Å; P93-V184 VanDerWaalsContact CB-CG2 3.49Å; P93-V184 HydrophobicContact CG-CB 4.21Å; P93-V184 HydrophobicContact CG-CG1 3.79Å; P93-V184 HydrophobicContact CG-CG2 3.4Å; P93-V184 VanDerWaalsContact CG-CG2 3.4Å
94G80.7Confident88.2Confident15 Ų1558.4 Ų58.416%0.15531%0.31CS..THydrogen-bonded Turntrans91.3-14.4-174.600000116.3K92 H96 V97K92-G94 PolarHBondContact O-N 3.26Å; G94-H96 PolarHBondContact O-N 2.93Å; G94-V97 WeakPolarHBondContact O-CB 3.49Å; G94-V97 PolarHBondContact O-N 2.85Å; G94-V97 VanDerWaalsContact O-N 3.15Å
95A84.5Confident88.2Confident17 Ų1758.7 Ų58.714%0.1431%0.313CS..THydrogen-bonded Turntrans-63.1-42.6-16900000113.9V85 E89 K92 K174V85-A95 HydrophobicContact CG1-CB 3.91Å; E89-A95 WeakPolarHBondContact O-CB 3.28Å; K92-A95 HydrophobicContact CB-CB 4.37Å; K92-A95 VanDerWaalsContact O-CB 3.29Å; K92-A95 WeakPolarHBondContact O-CB 3.19Å; K92-A95 PolarHBondContact O-N 3.38Å; K92-A95 VanDerWaalsContact O-N 3.15Å; A95-K174 PolarHBondContact O-NZ 3.09Å
96H85.3Confident88.3Confident108 Ų10859.6 Ų59.650%0.533%0.328SS..THydrogen-bonded Turntrans-87.72.6178.2-69.2-75.1000114.1V85 S90 G94V85-H96 VanDerWaalsContact CB-CE1 3.44Å; V85-H96 WeakPolarHBondContact CB-CE1 3.45Å; S90-H96 WeakPolarHBondContact CA-NE2 3.17Å; S90-H96 WeakPolarHBondContact CB-NE2 3.44Å; S90-H96 PolarHBondContact O-NE2 3.13Å; S90-H96 PolarHBondContact OG-CE1 2.89Å; S90-H96 PolarHBondContact OG-NE2 2.78Å; G94-H96 PolarHBondContact O-N 2.93Å
97V89.3Confident88.6Confident52 Ų5259.1 Ų59.132%0.31532%0.323SS..  trans-74.2136.2179.6-173.20000109.6G94 V99 K174G94-V97 WeakPolarHBondContact O-CB 3.49Å; G94-V97 PolarHBondContact O-N 2.85Å; G94-V97 VanDerWaalsContact O-N 3.15Å; V97-V99 HydrophobicContact CB-CG1 4.36Å; V97-V99 HydrophobicContact CG1-CG1 3.67Å; V97-V99 PolarHBondContact O-N 2.65Å; V97-K174 WeakPolarHBondContact O-CD 3.25Å; V97-K174 PolarHBondContact O-NZ 2.88Å
98T91.5Very high88.9Confident66 Ų6654.1 Ų54.141%0.40531%0.307SS..  trans-85.4105.7176.1-35.50000108K82 H151K82-T98 PolarHBondContact NZ-OG1 3.02Å; T98-H151 HydrophobicContact CG2-CB 3.7Å
99V94.1Very high89.2Confident23 Ų2351.8 Ų51.814%0.13930%0.296CS..  trans-130.3141.7178.9-560000111V97 K101 V154 K174V97-V99 HydrophobicContact CB-CG1 4.36Å; V97-V99 HydrophobicContact CG1-CG1 3.67Å; V97-V99 PolarHBondContact O-N 2.65Å; V99-K101 WeakPolarHBondContact CG2-O 3.28Å; V99-V154 HydrophobicContact CG2-CG1 4.14Å; V99-K174 HydrophobicContact CG2-CB 3.73Å; V99-K174 HydrophobicContact CG2-CD 4.26Å; V99-K174 HydrophobicContact CG2-CG 3.93Å
100K95.9Very high89.7Confident107 Ų10753 Ų5347%0.46530%0.304SS..SBendtrans-89.4-5.5171.6-54.3-168.3176-1720113.4T147 F148 D149K100-T147 HydrophobicContact CB-CG2 4.42Å; K100-T147 WeakPolarHBondContact O-CA 3.41Å; K100-F148 WeakPolarHBondContact CB-O 3.31Å; K100-F148 PolarHBondContact O-N 3.49Å; K100-D149 WeakPolarHBondContact CD-O 3.42Å; K100-D149 WeakPolarHBondContact CE-O 3.48Å; K100-D149 PolarHBondContact NZ-O 3.41Å
101K96.5Very high90.2Very high63 Ų6351.1 Ų51.127%0.27429%0.291SS..EExtended strand (participates in β ladder)trans-106.9124.2-177.9-164.3161-176.5163.90110.7V99 E130 F145 V146 T147 A175V99-K101 WeakPolarHBondContact CG2-O 3.28Å; K101-E130 IonicContact NZ-OE2 2.67Å; K101-E130 PolarHBondContact NZ-OE2 3.16Å; K101-F145 HydrophobicContact CD-CB 4.26Å; K101-F145 HydrophobicContact CG-CB 4.1Å; K101-F145 HydrophobicContact CG-CD1 4.34Å; K101-V146 CarbonylContact C-O 3.51Å; K101-V146 WeakPolarHBondContact CA-O 3.45Å; K101-T147 HydrophobicContact CB-CG2 4.23Å; K101-A175 HydrophobicContact CB-CB 3.99Å; K101-A175 HydrophobicContact CG-CB 3.89Å; K101-A175 WeakPolarHBondContact O-CB 3.27Å; K101-A175 PolarHBondContact O-N 3.11Å
102L96.6Very high90.8Very high0 Ų052.1 Ų52.10%028%0.276CS..EExtended strand (participates in β ladder)trans-95.9139.2174.1-172.177.1000109.4V104 F120 F145 V146 F148 V154 I157 V158 V172L102-V104 HydrophobicContact CD2-CG2 3.68Å; L102-V104 HydrophobicContact CG-CG2 4.09Å; L102-F120 HydrophobicContact CD2-CD1 4.21Å; L102-F120 HydrophobicContact CD2-CE1 3.7Å; L102-F120 HydrophobicContact CD2-CE2 4.28Å; L102-F120 HydrophobicContact CD2-CZ 3.73Å; L102-F145 CarbonylContact O-C 3.58Å; L102-F145 WeakPolarHBondContact O-CA 3.33Å; L102-F145 WeakPolarHBondContact O-CB 3.49Å; L102-V146 HydrophobicContact CB-CB 4.46Å; L102-V146 PolarHBondContact N-O 3.3Å; L102-V146 PolarHBondContact O-N 2.89Å; L102-F148 HydrophobicContact CB-CE2 4.25Å; L102-F148 HydrophobicContact CD2-CE2 4.48Å; L102-V154 HydrophobicContact CB-CG1 4.46Å; L102-V154 HydrophobicContact CB-CG2 4.43Å; L102-V154 HydrophobicContact CD1-CG1 3.92Å; L102-I157 HydrophobicContact CD1-CB 4.39Å; L102-I157 HydrophobicContact CD1-CG2 3.84Å; L102-I157 HydrophobicContact CD2-CD1 4.07Å; L102-I157 HydrophobicContact CD2-CG2 3.81Å; L102-I157 HydrophobicContact CG-CG2 4.5Å; L102-V158 HydrophobicContact CD1-CG1 3.72Å; L102-V172 HydrophobicContact CD1-CB 4.27Å; L102-V172 HydrophobicContact CD2-CB 4.47Å; L102-V172 HydrophobicContact CD2-CG1 4.43Å
103F95.4Very high91.3Very high49 Ų4952.5 Ų52.522%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-94.8134.3164.5167.4-86.3000108.8F143 F145 V172 R173 A175F103-F143 HydrophobicContact CD2-CD2 4.17Å; F103-F143 HydrophobicContact CE2-CB 3.85Å; F103-F143 AromaticContact CE2-CD2 3.52Å; F103-F143 HydrophobicContact CE2-CD2 3.52Å; F103-F143 HydrophobicContact CE2-CE2 4.24Å; F103-F143 AromaticContact CE2-CG 3.86Å; F103-F143 HydrophobicContact CE2-CG 3.86Å; F103-F143 HydrophobicContact CZ-CB 3.93Å; F103-F143 HydrophobicContact CZ-CD2 4.39Å; F103-F143 HydrophobicContact CZ-CG 4.31Å; F103-F145 HydrophobicContact CB-CD1 4.05Å; F103-F145 HydrophobicContact CB-CE1 3.99Å; F103-F145 HydrophobicContact CD2-CD1 4.31Å; F103-F145 AromaticContact CD2-CE1 3.74Å; F103-F145 HydrophobicContact CD2-CE1 3.74Å; F103-F145 HydrophobicContact CD2-CZ 4.1Å; F103-F145 HydrophobicContact CG-CE1 4.37Å; F103-V172 WeakPolarHBondContact O-CA 3.49Å; F103-R173 HydrophobicContact CD1-CB 4.3Å; F103-R173 PolarHBondContact N-O 2.66Å; F103-R173 PolarHBondContact O-N 3.05Å; F103-A175 HydrophobicContact CB-CB 4.21Å
104V96.1Very high92.1Very high0 Ų053.5 Ų53.50%028%0.278CS..EExtended strand (participates in β ladder)trans-128.2107.4179.7-1740000108L102 I107 L116 F120 F143 G144 V146 I165 A170L102-V104 HydrophobicContact CD2-CG2 3.68Å; L102-V104 HydrophobicContact CG-CG2 4.09Å; V104-I107 HydrophobicContact CG1-CG2 4.12Å; V104-L116 HydrophobicContact CG1-CD2 4.39Å; V104-F120 HydrophobicContact CG1-CE2 4.18Å; V104-F120 HydrophobicContact CG1-CZ 4.33Å; V104-F120 HydrophobicContact CG2-CE2 3.65Å; V104-F120 HydrophobicContact CG2-CZ 3.82Å; V104-F143 CarbonylContact O-C 3.52Å; V104-F143 WeakPolarHBondContact O-CA 3.44Å; V104-F143 WeakPolarHBondContact O-CB 3.47Å; V104-G144 PolarHBondContact N-O 2.83Å; V104-G144 PolarHBondContact O-N 3.15Å; V104-V146 HydrophobicContact CG2-CG2 4.29Å; V104-I165 HydrophobicContact CG1-CD1 4.18Å; V104-A170 HydrophobicContact CG1-CB 4.03Å
105G95.4Very high92.8Very high8 Ų855 Ų558%0.08228%0.281CS..EExtended strand (participates in β ladder)trans-115.1160.3179.500000112.7A170 E171G105-A170 CarbonylContact O-C 3.51Å; G105-A170 WeakPolarHBondContact O-CA 3.25Å; G105-A170 WeakPolarHBondContact O-CB 3.46Å; G105-E171 PolarHBondContact N-O 3.42Å; G105-E171 PolarHBondContact O-N 3.27Å
106G92.6Very high93.3Very high47 Ų4754.1 Ų54.149%0.48527%0.274SS..SBendtrans87.81.5179.800000114.8G142G106-G142 PolarHBondContact N-O 3.41Å
107I92.5Very high93.9Very high7 Ų752.6 Ų52.64%0.03626%0.264CS..  trans-67.4158.1163.260.4175.4000110.3V104 T111 L116 G142 A170V104-I107 HydrophobicContact CG1-CG2 4.12Å; I107-T111 HydrophobicContact CB-CG2 3.95Å; I107-T111 HydrophobicContact CD1-CG2 4.34Å; I107-T111 HydrophobicContact CG2-CG2 4.03Å; I107-L116 HydrophobicContact CD1-CD1 4.44Å; I107-L116 HydrophobicContact CG2-CD2 4.36Å; I107-G142 PolarHBondContact N-O 3.49Å; I107-G142 CarbonylContact O-C 3.54Å; I107-G142 WeakPolarHBondContact O-CA 3.23Å; I107-A170 HydrophobicContact CG2-CB 4.04Å
108K90Very high94.2Very high116 Ų11654.9 Ų54.950%0.50427%0.274SS..  trans-106.9178-178.2-65.6-170.4-168.91310112.5D110 T111 H168K108-D110 PolarHBondContact O-N 3.27Å; K108-T111 PolarHBondContact N-OG1 2.88Å; K108-T111 WeakPolarHBondContact O-CB 2.79Å; K108-T111 PolarHBondContact O-N 2.85Å; K108-T111 PolarHBondContact O-OG1 2.88Å; K108-H168 VanDerWaalsContact CD-CE1 3.49Å; K108-H168 WeakPolarHBondContact CD-CE1 3.41Å; K108-H168 WeakPolarHBondContact CE-ND1 3.5Å; K108-H168 PolarHBondContact NZ-CE1 2.84Å; K108-H168 VanDerWaalsContact NZ-CE1 3.27Å; K108-H168 PolarHBondContact NZ-ND1 2.92Å
109E89.9Confident94.4Very high101 Ų10154.2 Ų54.247%0.47227%0.265SS..THydrogen-bonded Turntrans-60.8-20.2176.8-69.7-173.6-156.100113.2K139 K140E109-K139 IonicContact OE1-NZ 2.87Å; E109-K139 PolarHBondContact OE1-NZ 3.25Å; E109-K139 IonicContact OE2-NZ 2.77Å; E109-K139 PolarHBondContact OE2-NZ 3.27Å; E109-K140 HydrophobicContact CG-CB 4.48Å; E109-K140 VanDerWaalsContact O-CD 3.31Å; E109-K140 WeakPolarHBondContact O-CD 3.13Å; E109-K140 VanDerWaalsContact O-CE 3.32Å; E109-K140 WeakPolarHBondContact O-CE 2.36Å; E109-K140 PolarHBondContact O-NZ 2.69Å
110D92.3Very high94.5Very high75 Ų7553.1 Ų53.140%0.40126%0.258SS..THydrogen-bonded Turntrans-72.9-20.9172.455.138.7000114.2K108 N166 H168K108-D110 PolarHBondContact O-N 3.27Å; D110-N166 PolarHBondContact OD1-ND2 3.45Å; D110-H168 IonicContact OD1-CD2 3.45Å; D110-H168 PolarHBondContact OD1-CD2 3.14Å; D110-H168 IonicContact OD1-CE1 3.26Å; D110-H168 IonicContact OD1-NE2 3.59Å; D110-H168 PolarHBondContact OD1-NE2 2.61Å; D110-H168 IonicContact OD2-CE1 2.6Å; D110-H168 PolarHBondContact OD2-CE1 2.8Å; D110-H168 VanDerWaalsContact OD2-CE1 3.24Å; D110-H168 IonicContact OD2-NE2 3.61Å; D110-H168 PolarHBondContact OD2-NE2 2.85Å
111T92.8Very high94.5Very high0 Ų053.3 Ų53.30%026%0.261CS..  trans-83.5133.4-166.5-50.70000110I107 K108 H115 L116 K140 N166 H168I107-T111 HydrophobicContact CB-CG2 3.95Å; I107-T111 HydrophobicContact CD1-CG2 4.34Å; I107-T111 HydrophobicContact CG2-CG2 4.03Å; K108-T111 PolarHBondContact N-OG1 2.88Å; K108-T111 WeakPolarHBondContact O-CB 2.79Å; K108-T111 PolarHBondContact O-N 2.85Å; K108-T111 PolarHBondContact O-OG1 2.88Å; T111-H115 HydrophobicContact CG2-CB 4.01Å; T111-L116 HydrophobicContact CG2-CD2 4.14Å; T111-K140 VanDerWaalsContact O-CD 3.31Å; T111-K140 WeakPolarHBondContact O-CD 3.44Å; T111-K140 WeakPolarHBondContact O-CE 3.41Å; T111-K140 PolarHBondContact O-NZ 2.95Å; T111-N166 HydrophobicContact CG2-CB 4.27Å; T111-H168 PolarHBondContact OG1-CD2 2.85Å
112E93.4Very high94.3Very high93 Ų9356.4 Ų56.444%0.43528%0.276SS..  trans-123.5174.1-173.2-50.6-150.8136.400112.4H114 H115 L116 K140E112-H114 VanDerWaalsContact C-N 3.31Å; E112-H114 PolarHBondContact O-N 3.05Å; E112-H114 IonicContact OE2-CE1 2.65Å; E112-H114 PolarHBondContact OE2-CE1 3.01Å; E112-H114 VanDerWaalsContact OE2-CE1 3.26Å; E112-H114 IonicContact OE2-ND1 2.88Å; E112-H115 PolarHBondContact N-ND1 3.33Å; E112-H115 VanDerWaalsContact N-ND1 3.19Å; E112-H115 WeakPolarHBondContact O-CB 3.44Å; E112-H115 PolarHBondContact O-N 3.23Å; E112-L116 PolarHBondContact O-N 3.46Å; E112-K140 IonicContact OE1-NZ 3.78Å
113E94.3Very high94.2Very high91 Ų9158.5 Ų58.543%0.42528%0.284SS..Hα-helixtrans-55.7-44.7-179.4176.8170.3165.500112.3H115 L116 R117 I129E113-H115 PolarHBondContact O-N 2.95Å; E113-L116 PolarHBondContact O-N 3.05Å; E113-R117 WeakPolarHBondContact O-CB 3.4Å; E113-R117 PolarHBondContact O-N 3.49Å; E113-R117 IonicContact OE1-CZ 3.83Å; E113-R117 IonicContact OE1-NE 2.78Å; E113-R117 IonicContact OE1-NH2 2.84Å; E113-R117 PolarHBondContact OE1-NH2 2.82Å; E113-I129 HydrophobicContact CB-CG2 4.46Å; E113-I129 HydrophobicContact CG-CB 3.84Å; E113-I129 HydrophobicContact CG-CD1 3.7Å; E113-I129 HydrophobicContact CG-CG1 4.29Å; E113-I129 HydrophobicContact CG-CG2 3.97Å
114H95.5Very high94.2Very high86 Ų8657.3 Ų57.340%0.39829%0.286SS..Hα-helixtrans-60.3-47.3-179.364.6-94.8000111.6E112 L116 R117 D118E112-H114 VanDerWaalsContact C-N 3.31Å; E112-H114 PolarHBondContact O-N 3.05Å; E112-H114 IonicContact OE2-CE1 2.65Å; E112-H114 PolarHBondContact OE2-CE1 3.01Å; E112-H114 VanDerWaalsContact OE2-CE1 3.26Å; E112-H114 IonicContact OE2-ND1 2.88Å; H114-L116 PolarHBondContact O-N 2.2Å; H114-R117 CarbonylContact O-C 3.42Å; H114-R117 WeakPolarHBondContact O-CA 3.15Å; H114-R117 WeakPolarHBondContact O-CB 3.38Å; H114-R117 PolarHBondContact O-N 3.37Å; H114-D118 IonicContact CD2-OD2 3.24Å; H114-D118 WeakPolarHBondContact O-CB 3.43Å; H114-D118 PolarHBondContact O-N 3.33Å; H114-D118 VanDerWaalsContact O-OD1 3.05Å
115H95.3Very high94.2Very high45 Ų4563 Ų6321%0.20831%0.31CS..Hα-helixtrans-54.1-30.1174-58.793.5000114.3T111 E112 E113 Y119 I165 N166T111-H115 HydrophobicContact CG2-CB 4.01Å; E112-H115 PolarHBondContact N-ND1 3.33Å; E112-H115 VanDerWaalsContact N-ND1 3.19Å; E112-H115 WeakPolarHBondContact O-CB 3.44Å; E112-H115 PolarHBondContact O-N 3.23Å; E113-H115 PolarHBondContact O-N 2.95Å; H115-Y119 WeakPolarHBondContact O-CB 2.97Å; H115-I165 VanDerWaalsContact O-CG2 3.29Å; H115-I165 WeakPolarHBondContact O-CG2 3.19Å; H115-N166 HydrophobicContact CB-CB 4.35Å; H115-N166 PolarHBondContact CD2-OD1 3.5Å; H115-N166 VanDerWaalsContact CD2-OD1 3.32Å; H115-N166 PolarHBondContact NE2-OD1 2.88Å
116L95.5Very high94.3Very high0 Ų063.3 Ų63.30%031%0.31CS..Hα-helixtrans-82.9-38.9173.5-59.5-173.1000111.6V104 I107 T111 E112 E113 H114 F120 I129 I131 V146 I165V104-L116 HydrophobicContact CG1-CD2 4.39Å; I107-L116 HydrophobicContact CD1-CD1 4.44Å; I107-L116 HydrophobicContact CG2-CD2 4.36Å; T111-L116 HydrophobicContact CG2-CD2 4.14Å; E112-L116 PolarHBondContact O-N 3.46Å; E113-L116 PolarHBondContact O-N 3.05Å; H114-L116 PolarHBondContact O-N 2.2Å; L116-F120 HydrophobicContact CB-CD2 4.39Å; L116-F120 HydrophobicContact CD2-CE2 4.38Å; L116-F120 VanDerWaalsContact O-CB 3.3Å; L116-F120 WeakPolarHBondContact O-CB 3.43Å; L116-F120 VanDerWaalsContact O-CD2 3.22Å; L116-F120 WeakPolarHBondContact O-CD2 3.22Å; L116-F120 PolarHBondContact O-N 2.66Å; L116-I129 HydrophobicContact CB-CD1 4.31Å; L116-I129 HydrophobicContact CB-CG2 4.19Å; L116-I129 HydrophobicContact CD1-CG2 3.79Å; L116-I131 HydrophobicContact CD1-CD1 3.81Å; L116-I131 HydrophobicContact CD1-CG1 3.69Å; L116-I131 HydrophobicContact CG-CD1 4.36Å; L116-V146 HydrophobicContact CB-CG2 4.42Å; L116-V146 HydrophobicContact CD1-CG2 4.49Å; L116-I165 HydrophobicContact CD2-CG2 4.04Å
117R96.3Very high94.5Very high76 Ų7665.1 Ų65.129%0.28731%0.309SS..Hα-helixtrans-62.1-60.6178.5-175.4169.9-66.3-78.10.5111E113 H114 Y119 F120 E121 I129E113-R117 WeakPolarHBondContact O-CB 3.4Å; E113-R117 PolarHBondContact O-N 3.49Å; E113-R117 IonicContact OE1-CZ 3.83Å; E113-R117 IonicContact OE1-NE 2.78Å; E113-R117 IonicContact OE1-NH2 2.84Å; E113-R117 PolarHBondContact OE1-NH2 2.82Å; H114-R117 CarbonylContact O-C 3.42Å; H114-R117 WeakPolarHBondContact O-CA 3.15Å; H114-R117 WeakPolarHBondContact O-CB 3.38Å; H114-R117 PolarHBondContact O-N 3.37Å; R117-Y119 PolarHBondContact O-N 3.08Å; R117-Y119 VanDerWaalsContact O-N 3.08Å; R117-F120 PolarHBondContact O-N 2.85Å; R117-E121 WeakPolarHBondContact CG-OE2 3.46Å; R117-E121 WeakPolarHBondContact O-CB 3.3Å; R117-E121 VanDerWaalsContact O-CG 3.31Å; R117-E121 WeakPolarHBondContact O-CG 3.45Å; R117-E121 PolarHBondContact O-N 2.88Å; R117-I129 HydrophobicContact CB-CD1 3.66Å; R117-I129 HydrophobicContact CG-CD1 4.39Å
118D95.7Very high94.6Very high99 Ų9968.3 Ų68.353%0.52933%0.329SS..Hα-helixtrans-55.9-30-177.3-47.4-11.9000111.8H114H114-D118 IonicContact CD2-OD2 3.24Å; H114-D118 WeakPolarHBondContact O-CB 3.43Å; H114-D118 PolarHBondContact O-N 3.33Å; H114-D118 VanDerWaalsContact O-OD1 3.05Å
119Y95.8Very high94.9Very high53 Ų5363.9 Ų63.921%0.20831%0.31CS..Hα-helixtrans-86.2-36.5177.7-172.3-97.2000114H115 R117 Y123 H163 I165H115-Y119 WeakPolarHBondContact O-CB 2.97Å; R117-Y119 PolarHBondContact O-N 3.08Å; R117-Y119 VanDerWaalsContact O-N 3.08Å; Y119-Y123 HydrophobicContact CE1-CE2 4.3Å; Y119-H163 HydrophobicContact CE1-CB 3.75Å; Y119-H163 AromaticContact CE1-CG 3.88Å; Y119-H163 AromaticContact CE1-ND1 3.41Å; Y119-H163 WeakPolarHBondContact CE1-ND1 3.39Å; Y119-H163 AromaticContact CZ-ND1 3.54Å; Y119-H163 PolarHBondContact OH-ND1 2.77Å; Y119-I165 HydrophobicContact CD1-CD1 3.57Å; Y119-I165 HydrophobicContact CD1-CG1 3.61Å; Y119-I165 HydrophobicContact CD2-CG1 4.45Å; Y119-I165 HydrophobicContact CE1-CD1 3.96Å; Y119-I165 HydrophobicContact CE1-CG1 3.88Å; Y119-I165 HydrophobicContact CG-CD1 4.27Å; Y119-I165 HydrophobicContact CG-CG1 3.93Å; Y119-I165 HydrophobicContact CG-CG2 4.34Å
120F96.3Very high95.2Very high0 Ų063 Ų630%031%0.306CS..Hα-helixtrans-95.5-16.5-174-75.5-58.3000114.3L102 V104 L116 R117 E122 Y123 I126 V146 F148 I157 I165 V172L102-F120 HydrophobicContact CD2-CD1 4.21Å; L102-F120 HydrophobicContact CD2-CE1 3.7Å; L102-F120 HydrophobicContact CD2-CE2 4.28Å; L102-F120 HydrophobicContact CD2-CZ 3.73Å; V104-F120 HydrophobicContact CG1-CE2 4.18Å; V104-F120 HydrophobicContact CG1-CZ 4.33Å; V104-F120 HydrophobicContact CG2-CE2 3.65Å; V104-F120 HydrophobicContact CG2-CZ 3.82Å; L116-F120 HydrophobicContact CB-CD2 4.39Å; L116-F120 HydrophobicContact CD2-CE2 4.38Å; L116-F120 VanDerWaalsContact O-CB 3.3Å; L116-F120 WeakPolarHBondContact O-CB 3.43Å; L116-F120 VanDerWaalsContact O-CD2 3.22Å; L116-F120 WeakPolarHBondContact O-CD2 3.22Å; L116-F120 PolarHBondContact O-N 2.66Å; R117-F120 PolarHBondContact O-N 2.85Å; F120-E122 PolarHBondContact O-N 2.98Å; F120-Y123 HydrophobicContact CD1-CD2 4.18Å; F120-Y123 HydrophobicContact CD1-CE2 4.4Å; F120-Y123 PolarHBondContact O-N 3.05Å; F120-Y123 VanDerWaalsContact O-N 3.12Å; F120-I126 HydrophobicContact CB-CD1 3.78Å; F120-V146 HydrophobicContact CB-CG1 4.45Å; F120-V146 HydrophobicContact CD2-CG2 3.82Å; F120-V146 HydrophobicContact CE2-CG2 4.22Å; F120-F148 HydrophobicContact CB-CE1 4.38Å; F120-F148 HydrophobicContact CB-CZ 3.96Å; F120-F148 HydrophobicContact CG-CZ 4.43Å; F120-I157 HydrophobicContact CD1-CD1 3.56Å; F120-I157 HydrophobicContact CD1-CG1 4.26Å; F120-I157 HydrophobicContact CE1-CD1 3.95Å; F120-I157 HydrophobicContact CE1-CG1 4.35Å; F120-I157 HydrophobicContact CE1-CG2 3.95Å; F120-I165 HydrophobicContact CE1-CD1 4.38Å; F120-I165 HydrophobicContact CE2-CD1 3.51Å; F120-I165 HydrophobicContact CZ-CD1 3.44Å; F120-I165 VanDerWaalsContact CZ-CD1 3.44Å; F120-V172 HydrophobicContact CE1-CG1 4.37Å; F120-V172 HydrophobicContact CZ-CG1 3.95Å
121E95.4Very high95.3Very high111 Ų11161.2 Ų61.252%0.51930%0.296SS..G310 helixtrans-68.2-19.6178.668.8-175.9-156.200113.5R117 Y123 G124 I126R117-E121 WeakPolarHBondContact CG-OE2 3.46Å; R117-E121 WeakPolarHBondContact O-CB 3.3Å; R117-E121 VanDerWaalsContact O-CG 3.31Å; R117-E121 WeakPolarHBondContact O-CG 3.45Å; R117-E121 PolarHBondContact O-N 2.88Å; E121-Y123 PolarHBondContact O-N 3.45Å; E121-G124 PolarHBondContact O-N 3.08Å; E121-I126 HydrophobicContact CB-CD1 4.22Å
122E94Very high95.3Very high127 Ų12762.7 Ų62.759%0.59330%0.304SS*.G310 helixtrans-63.2-21.7170.877.4176.8-177.500113.4F120F120-E122 PolarHBondContact O-N 2.98Å
123Y94.5Very high95.2Very high45 Ų4561.7 Ų61.718%0.17630%0.304CS..G310 helixtrans-92.4-19.9179.8-62.1-93.5000113.2Y119 F120 E121 P153 K156 I157Y119-Y123 HydrophobicContact CE1-CE2 4.3Å; F120-Y123 HydrophobicContact CD1-CD2 4.18Å; F120-Y123 HydrophobicContact CD1-CE2 4.4Å; F120-Y123 PolarHBondContact O-N 3.05Å; F120-Y123 VanDerWaalsContact O-N 3.12Å; E121-Y123 PolarHBondContact O-N 3.45Å; Y123-P153 WeakPolarHBondContact O-CB 3.35Å; Y123-P153 WeakPolarHBondContact O-CG 3.48Å; Y123-K156 HydrophobicContact CD1-CB 4.48Å; Y123-K156 HydrophobicContact CD1-CD 4.03Å; Y123-K156 HydrophobicContact CD1-CG 4.05Å; Y123-I157 HydrophobicContact CD1-CD1 4.21Å; Y123-I157 HydrophobicContact CD1-CG1 3.37Å; Y123-I157 HydrophobicContact CD2-CD1 4.03Å; Y123-I157 HydrophobicContact CD2-CG1 3.88Å; Y123-I157 HydrophobicContact CE1-CG1 3.83Å; Y123-I157 HydrophobicContact CE2-CG1 4.29Å; Y123-I157 HydrophobicContact CG-CD1 3.75Å; Y123-I157 HydrophobicContact CG-CG1 3.44Å; Y123-I157 VanDerWaalsContact CG-CG1 3.44Å
124G94.1Very high95Very high23 Ų2359.9 Ų59.924%0.23730%0.297CS..SBendtrans154.8171.8-175.700000113.5E121 I126E121-G124 PolarHBondContact O-N 3.08Å; G124-I126 PolarHBondContact O-N 2.83Å
125K96.2Very high94.5Very high119 Ų11967.1 Ų67.152%0.51732%0.321SS..  trans-71.5125.3-174.3168.9171.3155.1-700111.9D127 F148 D149K125-D127 IonicContact NZ-OD1 3.07Å; K125-D127 PolarHBondContact NZ-OD1 2.84Å; K125-F148 VanDerWaalsContact O-CA 3.28Å; K125-F148 WeakPolarHBondContact O-CA 3.45Å; K125-D149 VanDerWaalsContact CD-OD2 3.27Å; K125-D149 WeakPolarHBondContact CD-OD2 3.44Å; K125-D149 IonicContact NZ-OD2 2.76Å; K125-D149 PolarHBondContact NZ-OD2 2.88Å; K125-D149 PolarHBondContact O-N 2.9Å
126I97.3Very high94Very high16 Ų1674 Ų748%0.08235%0.354CS..EExtended strand (participates in β ladder)trans-91.7121178.4-57.9171.2000110F120 E121 G124 I129 V146 F148F120-I126 HydrophobicContact CB-CD1 3.78Å; E121-I126 HydrophobicContact CB-CD1 4.22Å; G124-I126 PolarHBondContact O-N 2.83Å; I126-I129 HydrophobicContact CD1-CD1 4.35Å; I126-I129 HydrophobicContact CG2-CD1 4.07Å; I126-I129 HydrophobicContact CG2-CG1 3.65Å; I126-V146 HydrophobicContact CB-CG1 4.46Å; I126-V146 HydrophobicContact CD1-CG1 4.01Å; I126-V146 HydrophobicContact CG1-CG1 3.94Å; I126-V146 HydrophobicContact CG2-CG1 3.74Å; I126-F148 HydrophobicContact CG1-CD1 3.97Å; I126-F148 HydrophobicContact CG1-CE1 3.74Å; I126-F148 HydrophobicContact CG1-CZ 4.44Å
127D96.7Very high93.7Very high85 Ų8577.4 Ų77.446%0.45538%0.377SS..EExtended strand (participates in β ladder)trans-83.2-43.2173.2-76.3-15.7000111.8K125 T147 D149K125-D127 IonicContact NZ-OD1 3.07Å; K125-D127 PolarHBondContact NZ-OD1 2.84Å; D127-T147 PolarHBondContact N-O 3.32Å; D127-D149 WeakPolarHBondContact OD2-CA 3.38Å
128T96.1Very high93.3Very high74 Ų7476.2 Ų76.245%0.45439%0.389SS..EExtended strand (participates in β ladder)trans-148151.2-179.852.90000113.6T147T128-T147 PolarHBondContact N-O 3.22Å; T128-T147 VanDerWaalsContact N-O 3.16Å; T128-T147 PolarHBondContact O-N 3.3Å; T128-T147 WeakPolarHBondContact OG1-CB 3.41Å; T128-T147 PolarHBondContact OG1-OG1 3.42Å
129I96.2Very high92.9Very high22 Ų2276.5 Ų76.511%0.11339%0.385CS..EExtended strand (participates in β ladder)trans-125.8138.3171.9-59.1174.9000108.3E113 L116 R117 I126 I131 F145 V146E113-I129 HydrophobicContact CB-CG2 4.46Å; E113-I129 HydrophobicContact CG-CB 3.84Å; E113-I129 HydrophobicContact CG-CD1 3.7Å; E113-I129 HydrophobicContact CG-CG1 4.29Å; E113-I129 HydrophobicContact CG-CG2 3.97Å; L116-I129 HydrophobicContact CB-CD1 4.31Å; L116-I129 HydrophobicContact CB-CG2 4.19Å; L116-I129 HydrophobicContact CD1-CG2 3.79Å; R117-I129 HydrophobicContact CB-CD1 3.66Å; R117-I129 HydrophobicContact CG-CD1 4.39Å; I126-I129 HydrophobicContact CD1-CD1 4.35Å; I126-I129 HydrophobicContact CG2-CD1 4.07Å; I126-I129 HydrophobicContact CG2-CG1 3.65Å; I129-I131 HydrophobicContact CG2-CG1 4.43Å; I129-F145 WeakPolarHBondContact CA-O 3.44Å; I129-V146 HydrophobicContact CG1-CG1 4.38Å; I129-V146 HydrophobicContact CG1-CG2 4.37Å; I129-V146 HydrophobicContact CG2-CG2 4.48Å
130E94.7Very high92.7Very high82 Ų8276.1 Ų76.138%0.38339%0.385SS..EExtended strand (participates in β ladder)trans-137.890.4-174-170.8-166.8172.400110K101 I132 G144 F145K101-E130 IonicContact NZ-OE2 2.67Å; K101-E130 PolarHBondContact NZ-OE2 3.16Å; E130-I132 HydrophobicContact CG-CD1 3.73Å; E130-I132 WeakPolarHBondContact OE1-CD1 3.36Å; E130-G144 CarbonylContact O-C 3.48Å; E130-G144 WeakPolarHBondContact O-CA 3.29Å; E130-F145 HydrophobicContact CB-CB 4.43Å; E130-F145 PolarHBondContact N-O 2.82Å; E130-F145 PolarHBondContact O-N 3.18Å
131I94.5Very high92.4Very high38 Ų3883.3 Ų83.320%0.19541%0.412CS..EExtended strand (participates in β ladder)trans-82122.8174.6-61.6-179.4000109.1L116 I129 T133 K140L116-I131 HydrophobicContact CD1-CD1 3.81Å; L116-I131 HydrophobicContact CD1-CG1 3.69Å; L116-I131 HydrophobicContact CG-CD1 4.36Å; I129-I131 HydrophobicContact CG2-CG1 4.43Å; I131-T133 PolarHBondContact O-N 3.28Å; I131-K140 HydrophobicContact CG2-CB 4.35Å; I131-K140 HydrophobicContact CG2-CD 4.1Å; I131-K140 HydrophobicContact CG2-CG 4.17Å
132I93.6Very high92.3Very high31 Ų3179 Ų7916%0.15940%0.397CS..EExtended strand (participates in β ladder)trans-87.5115.5-170.6-54.8-61.1000110.5E130 R141 F143 F145E130-I132 HydrophobicContact CG-CD1 3.73Å; E130-I132 WeakPolarHBondContact OE1-CD1 3.36Å; I132-R141 WeakPolarHBondContact O-CB 3.29Å; I132-R141 PolarHBondContact O-N 2.94Å; I132-F143 HydrophobicContact CB-CD2 4.17Å; I132-F143 HydrophobicContact CB-CE1 4.45Å; I132-F143 HydrophobicContact CB-CE2 3.8Å; I132-F143 HydrophobicContact CB-CZ 3.95Å; I132-F143 HydrophobicContact CG1-CD2 3.92Å; I132-F143 HydrophobicContact CG1-CE2 3.55Å; I132-F143 HydrophobicContact CG1-CZ 4.17Å; I132-F143 HydrophobicContact CG2-CE1 4.41Å; I132-F143 HydrophobicContact CG2-CE2 4.09Å; I132-F143 HydrophobicContact CG2-CZ 3.81Å; I132-F143 PolarHBondContact N-O 3.38Å; I132-F145 HydrophobicContact CD1-CD2 4.04Å; I132-F145 HydrophobicContact CD1-CE2 3.97Å; I132-F145 HydrophobicContact CG1-CD2 4.02Å; I132-F145 HydrophobicContact CG1-CE2 3.82Å
133T92.2Very high92.3Very high73 Ų7374.9 Ų74.945%0.44838%0.377SS..EExtended strand (participates in β ladder)trans-88.9158.5169520000112.3I131 G138 K139 K140I131-T133 PolarHBondContact O-N 3.28Å; T133-G138 WeakPolarHBondContact CG2-O 3.45Å; T133-K139 CarbonylContact C-O 3.59Å; T133-K139 VanDerWaalsContact CA-O 3.28Å; T133-K139 WeakPolarHBondContact CA-O 3.22Å; T133-K140 HydrophobicContact CG2-CG 4.2Å
134D88.6Confident92.3Very high53 Ų5372.7 Ų72.728%0.28337%0.369SS..  trans-78.7137.3167.2172.4-109.8000110.1Q136 S137 G138 K139 R141D134-Q136 VanDerWaalsContact C-N 3.33Å; D134-Q136 PolarHBondContact O-N 3.05Å; D134-Q136 PolarHBondContact OD1-N 2.6Å; D134-Q136 VanDerWaalsContact OD1-N 3.11Å; D134-S137 WeakPolarHBondContact CB-OG 3.46Å; D134-S137 WeakPolarHBondContact OD1-CB 3.33Å; D134-S137 PolarHBondContact OD1-N 3.12Å; D134-S137 PolarHBondContact OD1-OG 2.89Å; D134-G138 VanDerWaalsContact O-CA 3.28Å; D134-G138 WeakPolarHBondContact O-CA 3.43Å; D134-G138 PolarHBondContact O-N 3.16Å; D134-K139 PolarHBondContact N-O 3.28Å; D134-R141 HydrophobicContact CB-CG 3.89Å
135R86Confident92.4Very high238 Ų23873.1 Ų73.190%0.89836%0.364SS*.THydrogen-bonded Turntrans-77.9-15-171.5-70.8-177.5170.7-165.1-7.1114.2
136Q85.1Confident92.5Very high190 Ų19067.5 Ų67.589%0.88834%0.339SS*.THydrogen-bonded Turntrans-101-39.4-178-62.9-177.7-5.800111.5D134D134-Q136 VanDerWaalsContact C-N 3.33Å; D134-Q136 PolarHBondContact O-N 3.05Å; D134-Q136 PolarHBondContact OD1-N 2.6Å; D134-Q136 VanDerWaalsContact OD1-N 3.11Å
137S88.8Confident92.5Very high70 Ų7068.1 Ų68.149%0.4934%0.344SS..THydrogen-bonded Turntrans-102.7-12.6-176.362.70000114.8D134 K139D134-S137 WeakPolarHBondContact CB-OG 3.46Å; D134-S137 WeakPolarHBondContact OD1-CB 3.33Å; D134-S137 PolarHBondContact OD1-N 3.12Å; D134-S137 PolarHBondContact OD1-OG 2.89Å; S137-K139 PolarHBondContact O-N 2.91Å; S137-K139 VanDerWaalsContact O-N 3.1Å
138G86.8Confident92.5Very high52 Ų5264 Ų6454%0.53632%0.322SS..  trans71.8-8.9-17500000115.1T133 D134T133-G138 WeakPolarHBondContact CG2-O 3.45Å; D134-G138 VanDerWaalsContact O-CA 3.28Å; D134-G138 WeakPolarHBondContact O-CA 3.43Å; D134-G138 PolarHBondContact O-N 3.16Å
139K88.5Confident92.5Very high104 Ų10463.3 Ų63.345%0.45232%0.315SS..  trans-66.6143.3-177.6-72.2172150.5-79.80112E109 T133 D134 S137 R141E109-K139 IonicContact OE1-NZ 2.87Å; E109-K139 PolarHBondContact OE1-NZ 3.25Å; E109-K139 IonicContact OE2-NZ 2.77Å; E109-K139 PolarHBondContact OE2-NZ 3.27Å; T133-K139 CarbonylContact C-O 3.59Å; T133-K139 VanDerWaalsContact CA-O 3.28Å; T133-K139 WeakPolarHBondContact CA-O 3.22Å; D134-K139 PolarHBondContact N-O 3.28Å; S137-K139 PolarHBondContact O-N 2.91Å; S137-K139 VanDerWaalsContact O-N 3.1Å; K139-R141 PolarHBondContact O-N 2.82Å
140K91Very high92.5Very high46 Ų4663.9 Ų63.920%0.232%0.319CS..EExtended strand (participates in β ladder)trans-65.9128.7173.9-56.2176.3-166.6159.90109.1E109 T111 E112 I131 T133 G142E109-K140 HydrophobicContact CG-CB 4.48Å; E109-K140 VanDerWaalsContact O-CD 3.31Å; E109-K140 WeakPolarHBondContact O-CD 3.13Å; E109-K140 VanDerWaalsContact O-CE 3.32Å; E109-K140 WeakPolarHBondContact O-CE 2.36Å; E109-K140 PolarHBondContact O-NZ 2.69Å; T111-K140 VanDerWaalsContact O-CD 3.31Å; T111-K140 WeakPolarHBondContact O-CD 3.44Å; T111-K140 WeakPolarHBondContact O-CE 3.41Å; T111-K140 PolarHBondContact O-NZ 2.95Å; E112-K140 IonicContact OE1-NZ 3.78Å; I131-K140 HydrophobicContact CG2-CB 4.35Å; I131-K140 HydrophobicContact CG2-CD 4.1Å; I131-K140 HydrophobicContact CG2-CG 4.17Å; T133-K140 HydrophobicContact CG2-CG 4.2Å; K140-G142 PolarHBondContact O-N 3.14Å; K140-G142 VanDerWaalsContact O-N 3.07Å
141R90.7Very high92.5Very high151 Ų15161.1 Ų61.157%0.5731%0.306SS*.EExtended strand (participates in β ladder)trans-77.512.8-175.4-66.5-178.763-155.9-3114.5I132 D134 K139 F143I132-R141 WeakPolarHBondContact O-CB 3.29Å; I132-R141 PolarHBondContact O-N 2.94Å; D134-R141 HydrophobicContact CB-CG 3.89Å; K139-R141 PolarHBondContact O-N 2.82Å; R141-F143 VanDerWaalsContact C-N 3.28Å; R141-F143 HydrophobicContact CB-CD1 3.85Å; R141-F143 HydrophobicContact CB-CE1 3.63Å; R141-F143 WeakPolarHBondContact O-CD1 3.13Å; R141-F143 PolarHBondContact O-N 3.42Å
142G92.2Very high92.6Very high20 Ų2060 Ų6021%0.20630%0.3CS..EExtended strand (participates in β ladder)trans68.621.5-176.500000115.1G106 I107 K140G106-G142 PolarHBondContact N-O 3.41Å; I107-G142 PolarHBondContact N-O 3.49Å; I107-G142 CarbonylContact O-C 3.54Å; I107-G142 WeakPolarHBondContact O-CA 3.23Å; K140-G142 PolarHBondContact O-N 3.14Å; K140-G142 VanDerWaalsContact O-N 3.07Å
143F94.5Very high92.7Very high40 Ų4058.9 Ų58.918%0.17530%0.295CS..EExtended strand (participates in β ladder)trans-149.9159169.972.5-85.8000112.2F103 V104 I132 R141 F145F103-F143 HydrophobicContact CD2-CD2 4.17Å; F103-F143 HydrophobicContact CE2-CB 3.85Å; F103-F143 AromaticContact CE2-CD2 3.52Å; F103-F143 HydrophobicContact CE2-CD2 3.52Å; F103-F143 HydrophobicContact CE2-CE2 4.24Å; F103-F143 AromaticContact CE2-CG 3.86Å; F103-F143 HydrophobicContact CE2-CG 3.86Å; F103-F143 HydrophobicContact CZ-CB 3.93Å; F103-F143 HydrophobicContact CZ-CD2 4.39Å; F103-F143 HydrophobicContact CZ-CG 4.31Å; V104-F143 CarbonylContact O-C 3.52Å; V104-F143 WeakPolarHBondContact O-CA 3.44Å; V104-F143 WeakPolarHBondContact O-CB 3.47Å; I132-F143 HydrophobicContact CB-CD2 4.17Å; I132-F143 HydrophobicContact CB-CE1 4.45Å; I132-F143 HydrophobicContact CB-CE2 3.8Å; I132-F143 HydrophobicContact CB-CZ 3.95Å; I132-F143 HydrophobicContact CG1-CD2 3.92Å; I132-F143 HydrophobicContact CG1-CE2 3.55Å; I132-F143 HydrophobicContact CG1-CZ 4.17Å; I132-F143 HydrophobicContact CG2-CE1 4.41Å; I132-F143 HydrophobicContact CG2-CE2 4.09Å; I132-F143 HydrophobicContact CG2-CZ 3.81Å; I132-F143 PolarHBondContact N-O 3.38Å; R141-F143 VanDerWaalsContact C-N 3.28Å; R141-F143 HydrophobicContact CB-CD1 3.85Å; R141-F143 HydrophobicContact CB-CE1 3.63Å; R141-F143 WeakPolarHBondContact O-CD1 3.13Å; R141-F143 PolarHBondContact O-N 3.42Å; F143-F145 HydrophobicContact CD2-CE2 4.36Å; F143-F145 HydrophobicContact CE2-CE2 4.09Å; F143-F145 HydrophobicContact CE2-CZ 4.32Å
144G95.2Very high92.9Very high0 Ų055.4 Ų55.40%027%0.274CS..EExtended strand (participates in β ladder)trans-149.9-173.5173.500000111.5V104 E130V104-G144 PolarHBondContact N-O 2.83Å; V104-G144 PolarHBondContact O-N 3.15Å; E130-G144 CarbonylContact O-C 3.48Å; E130-G144 WeakPolarHBondContact O-CA 3.29Å
145F96.6Very high93.1Very high32 Ų3253.2 Ų53.214%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-132.1151.8173.2-56.4-90.6000111.1K101 L102 F103 I129 E130 I132 F143 A175K101-F145 HydrophobicContact CD-CB 4.26Å; K101-F145 HydrophobicContact CG-CB 4.1Å; K101-F145 HydrophobicContact CG-CD1 4.34Å; L102-F145 CarbonylContact O-C 3.58Å; L102-F145 WeakPolarHBondContact O-CA 3.33Å; L102-F145 WeakPolarHBondContact O-CB 3.49Å; F103-F145 HydrophobicContact CB-CD1 4.05Å; F103-F145 HydrophobicContact CB-CE1 3.99Å; F103-F145 HydrophobicContact CD2-CD1 4.31Å; F103-F145 AromaticContact CD2-CE1 3.74Å; F103-F145 HydrophobicContact CD2-CE1 3.74Å; F103-F145 HydrophobicContact CD2-CZ 4.1Å; F103-F145 HydrophobicContact CG-CE1 4.37Å; I129-F145 WeakPolarHBondContact CA-O 3.44Å; E130-F145 HydrophobicContact CB-CB 4.43Å; E130-F145 PolarHBondContact N-O 2.82Å; E130-F145 PolarHBondContact O-N 3.18Å; I132-F145 HydrophobicContact CD1-CD2 4.04Å; I132-F145 HydrophobicContact CD1-CE2 3.97Å; I132-F145 HydrophobicContact CG1-CD2 4.02Å; I132-F145 HydrophobicContact CG1-CE2 3.82Å; F143-F145 HydrophobicContact CD2-CE2 4.36Å; F143-F145 HydrophobicContact CE2-CE2 4.09Å; F143-F145 HydrophobicContact CE2-CZ 4.32Å; F145-A175 HydrophobicContact CD1-CB 3.71Å; F145-A175 HydrophobicContact CE1-CB 3.85Å
146V97.2Very high93.5Very high0 Ų044 Ų440%023%0.228CC..EExtended strand (participates in β ladder)trans-125.5128.5171.9-179.80000107.2K101 L102 V104 L116 F120 I126 I129 F148K101-V146 CarbonylContact C-O 3.51Å; K101-V146 WeakPolarHBondContact CA-O 3.45Å; L102-V146 HydrophobicContact CB-CB 4.46Å; L102-V146 PolarHBondContact N-O 3.3Å; L102-V146 PolarHBondContact O-N 2.89Å; V104-V146 HydrophobicContact CG2-CG2 4.29Å; L116-V146 HydrophobicContact CB-CG2 4.42Å; L116-V146 HydrophobicContact CD1-CG2 4.49Å; F120-V146 HydrophobicContact CB-CG1 4.45Å; F120-V146 HydrophobicContact CD2-CG2 3.82Å; F120-V146 HydrophobicContact CE2-CG2 4.22Å; I126-V146 HydrophobicContact CB-CG1 4.46Å; I126-V146 HydrophobicContact CD1-CG1 4.01Å; I126-V146 HydrophobicContact CG1-CG1 3.94Å; I126-V146 HydrophobicContact CG2-CG1 3.74Å; I129-V146 HydrophobicContact CG1-CG1 4.38Å; I129-V146 HydrophobicContact CG1-CG2 4.37Å; I129-V146 HydrophobicContact CG2-CG2 4.48Å; V146-F148 HydrophobicContact CB-CE2 4.3Å; V146-F148 HydrophobicContact CG1-CD2 4.27Å; V146-F148 HydrophobicContact CG1-CE1 4.43Å; V146-F148 HydrophobicContact CG1-CE2 3.76Å; V146-F148 HydrophobicContact CG1-CZ 3.86Å
147T97.4Very high94Very high29 Ų2934.9 Ų34.918%0.17819%0.186CC..EExtended strand (participates in β ladder)trans-110.6122.1176.1-36.60000108.8K100 K101 D127 T128K100-T147 HydrophobicContact CB-CG2 4.42Å; K100-T147 WeakPolarHBondContact O-CA 3.41Å; K101-T147 HydrophobicContact CB-CG2 4.23Å; D127-T147 PolarHBondContact N-O 3.32Å; T128-T147 PolarHBondContact N-O 3.22Å; T128-T147 VanDerWaalsContact N-O 3.16Å; T128-T147 PolarHBondContact O-N 3.3Å; T128-T147 WeakPolarHBondContact OG1-CB 3.41Å; T128-T147 PolarHBondContact OG1-OG1 3.42Å
148F97.7Very high94.2Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-93.4166.2175.4-62.7-92.6000111K100 L102 F120 K125 I126 V146 D150 P153 V154 I157K100-F148 WeakPolarHBondContact CB-O 3.31Å; K100-F148 PolarHBondContact O-N 3.49Å; L102-F148 HydrophobicContact CB-CE2 4.25Å; L102-F148 HydrophobicContact CD2-CE2 4.48Å; F120-F148 HydrophobicContact CB-CE1 4.38Å; F120-F148 HydrophobicContact CB-CZ 3.96Å; F120-F148 HydrophobicContact CG-CZ 4.43Å; K125-F148 VanDerWaalsContact O-CA 3.28Å; K125-F148 WeakPolarHBondContact O-CA 3.45Å; I126-F148 HydrophobicContact CG1-CD1 3.97Å; I126-F148 HydrophobicContact CG1-CE1 3.74Å; I126-F148 HydrophobicContact CG1-CZ 4.44Å; V146-F148 HydrophobicContact CB-CE2 4.3Å; V146-F148 HydrophobicContact CG1-CD2 4.27Å; V146-F148 HydrophobicContact CG1-CE1 4.43Å; V146-F148 HydrophobicContact CG1-CE2 3.76Å; V146-F148 HydrophobicContact CG1-CZ 3.86Å; F148-D150 WeakPolarHBondContact CB-O 3.5Å; F148-D150 PolarHBondContact O-N 2.96Å; F148-P153 HydrophobicContact CB-CB 4.29Å; F148-P153 HydrophobicContact CB-CG 4.3Å; F148-P153 HydrophobicContact CD1-CB 3.55Å; F148-P153 HydrophobicContact CD1-CG 4.05Å; F148-P153 HydrophobicContact CD2-CB 4.19Å; F148-P153 HydrophobicContact CE1-CB 3.79Å; F148-P153 HydrophobicContact CE2-CB 4.4Å; F148-P153 HydrophobicContact CG-CB 3.75Å; F148-P153 HydrophobicContact CG-CG 4.25Å; F148-P153 HydrophobicContact CZ-CB 4.2Å; F148-V154 HydrophobicContact CD2-CG2 3.59Å; F148-V154 HydrophobicContact CE2-CG2 4.08Å; F148-I157 HydrophobicContact CE1-CD1 4.39Å; F148-I157 HydrophobicContact CE2-CD1 3.83Å; F148-I157 HydrophobicContact CZ-CD1 3.44Å; F148-I157 VanDerWaalsContact CZ-CD1 3.44Å
149D95.7Very high94.4Very high58 Ų5831.9 Ų31.931%0.3115%0.153SC..SBendtrans-77.2-9.9171.565.5-4.1000113.8K100 K125 D127K100-D149 WeakPolarHBondContact CD-O 3.42Å; K100-D149 WeakPolarHBondContact CE-O 3.48Å; K100-D149 PolarHBondContact NZ-O 3.41Å; K125-D149 VanDerWaalsContact CD-OD2 3.27Å; K125-D149 WeakPolarHBondContact CD-OD2 3.44Å; K125-D149 IonicContact NZ-OD2 2.76Å; K125-D149 PolarHBondContact NZ-OD2 2.88Å; K125-D149 PolarHBondContact O-N 2.9Å; D127-D149 WeakPolarHBondContact OD2-CA 3.38Å
150D95.5Very high94.5Very high34 Ų3431.3 Ų31.318%0.18215%0.152CC..SBendtrans-138.4168.7177.1-176.243.4000113.2R70 F148 D152R70-D150 IonicContact CZ-OD2 2.73Å; R70-D150 VanDerWaalsContact NH1-CG 3.27Å; R70-D150 IonicContact NH1-OD1 3.53Å; R70-D150 PolarHBondContact NH1-OD1 2.71Å; R70-D150 IonicContact NH1-OD2 3.18Å; R70-D150 PolarHBondContact NH1-OD2 3.45Å; R70-D150 IonicContact NH2-OD2 2.74Å; R70-D150 PolarHBondContact NH2-OD2 2.74Å; F148-D150 WeakPolarHBondContact CB-O 3.5Å; F148-D150 PolarHBondContact O-N 2.96Å; D150-D152 WeakPolarHBondContact OD2-CB 3.15Å; D150-D152 PolarHBondContact OD2-N 3.15Å
151H94.9Very high94.4Very high24 Ų2432.2 Ų32.211%0.11116%0.155CC..SBendtrans-85.9-25.6175.573.288000114R70 T98 V154 D155R70-H151 PolarHBondContact NH1-NE2 2.72Å; T98-H151 HydrophobicContact CG2-CB 3.7Å; H151-V154 WeakPolarHBondContact O-CB 3.38Å; H151-V154 PolarHBondContact O-N 3.33Å; H151-V154 VanDerWaalsContact O-N 3.13Å; H151-D155 IonicContact CE1-OD2 3.03Å; H151-D155 IonicContact CG-OD2 2.77Å; H151-D155 IonicContact ND1-OD2 2.89Å; H151-D155 PolarHBondContact ND1-OD2 3.19Å; H151-D155 PolarHBondContact O-N 2.78Å
152D95.9Very high94.6Very high15 Ų1530.2 Ų30.28%0.0815%0.149CC..Hα-helixtrans-64.2-36.3-176.2-172.356000114.4M67 R83 D150 V154 D155 K156M67-D152 WeakPolarHBondContact CB-OD2 3.15Å; M67-D152 HydrophobicContact CE-CB 3.83Å; M67-D152 WeakPolarHBondContact CE-OD1 3.16Å; R83-D152 WeakPolarHBondContact CG-OD1 3.43Å; R83-D152 IonicContact CZ-OD1 2.67Å; R83-D152 IonicContact CZ-OD2 3.53Å; R83-D152 IonicContact NE-OD1 3.45Å; R83-D152 PolarHBondContact NE-OD1 3.07Å; R83-D152 IonicContact NE-OD2 2.72Å; R83-D152 IonicContact NH2-OD1 3.51Å; R83-D152 PolarHBondContact NH2-OD1 3.31Å; R83-D152 IonicContact NH2-OD2 3.55Å; R83-D152 PolarHBondContact NH2-OD2 3.32Å; D150-D152 WeakPolarHBondContact OD2-CB 3.15Å; D150-D152 PolarHBondContact OD2-N 3.15Å; D152-V154 VanDerWaalsContact C-N 3.29Å; D152-V154 PolarHBondContact O-N 3.37Å; D152-D155 PolarHBondContact O-N 2.85Å; D152-K156 VanDerWaalsContact O-CB 3.3Å; D152-K156 WeakPolarHBondContact O-CB 3.44Å; D152-K156 PolarHBondContact O-N 3.03Å
153P96.1Very high94.7Very high7 Ų729.3 Ų29.35%0.04514%0.139CC..Hα-helixtrans-57.7-43171-26.336.2000111.8Y123 F148 K156 I157Y123-P153 WeakPolarHBondContact O-CB 3.35Å; Y123-P153 WeakPolarHBondContact O-CG 3.48Å; F148-P153 HydrophobicContact CB-CB 4.29Å; F148-P153 HydrophobicContact CB-CG 4.3Å; F148-P153 HydrophobicContact CD1-CB 3.55Å; F148-P153 HydrophobicContact CD1-CG 4.05Å; F148-P153 HydrophobicContact CD2-CB 4.19Å; F148-P153 HydrophobicContact CE1-CB 3.79Å; F148-P153 HydrophobicContact CE2-CB 4.4Å; F148-P153 HydrophobicContact CG-CB 3.75Å; F148-P153 HydrophobicContact CG-CG 4.25Å; F148-P153 HydrophobicContact CZ-CB 4.2Å; P153-K156 PolarHBondContact O-N 3.06Å; P153-I157 WeakPolarHBondContact O-CB 3.2Å; P153-I157 VanDerWaalsContact O-CD1 3.28Å; P153-I157 WeakPolarHBondContact O-CD1 3.48Å; P153-I157 WeakPolarHBondContact O-CG1 3.24Å; P153-I157 PolarHBondContact O-N 2.92Å
154V96Very high94.7Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-65.8-45.8176.7-175.60000110.9V99 L102 F148 H151 D152 K156 I157 V158 K174V99-V154 HydrophobicContact CG2-CG1 4.14Å; L102-V154 HydrophobicContact CB-CG1 4.46Å; L102-V154 HydrophobicContact CB-CG2 4.43Å; L102-V154 HydrophobicContact CD1-CG1 3.92Å; F148-V154 HydrophobicContact CD2-CG2 3.59Å; F148-V154 HydrophobicContact CE2-CG2 4.08Å; H151-V154 WeakPolarHBondContact O-CB 3.38Å; H151-V154 PolarHBondContact O-N 3.33Å; H151-V154 VanDerWaalsContact O-N 3.13Å; D152-V154 VanDerWaalsContact C-N 3.29Å; D152-V154 PolarHBondContact O-N 3.37Å; V154-K156 VanDerWaalsContact C-N 3.29Å; V154-K156 PolarHBondContact O-N 3.34Å; V154-I157 PolarHBondContact O-N 2.78Å; V154-V158 HydrophobicContact CG1-CG1 4.42Å; V154-V158 WeakPolarHBondContact O-CG1 3.39Å; V154-V158 WeakPolarHBondContact O-CG2 3.17Å; V154-V158 PolarHBondContact O-N 3.26Å; V154-V158 VanDerWaalsContact O-N 3.08Å; V154-K174 HydrophobicContact CG1-CG 4.09Å
155D93.9Very high94.6Very high7 Ų732 Ų324%0.03716%0.159CC..Hα-helixtrans-62.4-34.4176.9-75.4-38.3000112R83 H151 D152 L159 K174R83-D155 HydrophobicContact CB-CB 4.21Å; R83-D155 HydrophobicContact CG-CB 4.33Å; H151-D155 IonicContact CE1-OD2 3.03Å; H151-D155 IonicContact CG-OD2 2.77Å; H151-D155 IonicContact ND1-OD2 2.89Å; H151-D155 PolarHBondContact ND1-OD2 3.19Å; H151-D155 PolarHBondContact O-N 2.78Å; D152-D155 PolarHBondContact O-N 2.85Å; D155-L159 WeakPolarHBondContact O-CG 3.49Å; D155-K174 WeakPolarHBondContact OD1-CE 3.22Å; D155-K174 IonicContact OD1-NZ 3.65Å; D155-K174 PolarHBondContact OD1-NZ 3.45Å
156K94.1Very high94.4Very high44 Ų4433.5 Ų33.519%0.19117%0.168CC..Hα-helixtrans-69.5-49.1175.5-172.6172.9174.9173.10111.6D64 Y123 D152 P153 V154 L159D64-K156 IonicContact OD1-NZ 2.74Å; D64-K156 IonicContact OD2-NZ 2.69Å; D64-K156 PolarHBondContact OD2-NZ 3.02Å; Y123-K156 HydrophobicContact CD1-CB 4.48Å; Y123-K156 HydrophobicContact CD1-CD 4.03Å; Y123-K156 HydrophobicContact CD1-CG 4.05Å; D152-K156 VanDerWaalsContact O-CB 3.3Å; D152-K156 WeakPolarHBondContact O-CB 3.44Å; D152-K156 PolarHBondContact O-N 3.03Å; P153-K156 PolarHBondContact O-N 3.06Å; V154-K156 VanDerWaalsContact C-N 3.29Å; V154-K156 PolarHBondContact O-N 3.34Å; K156-L159 PolarHBondContact O-N 3.47Å
157I94.9Very high94.2Very high0 Ų036.7 Ų36.70%020%0.202CC..Hα-helixtrans-59.9-49.9-178.8-71.3161.4000110.7L102 F120 Y123 F148 P153 V154 L159 Q160 H163 V172L102-I157 HydrophobicContact CD1-CB 4.39Å; L102-I157 HydrophobicContact CD1-CG2 3.84Å; L102-I157 HydrophobicContact CD2-CD1 4.07Å; L102-I157 HydrophobicContact CD2-CG2 3.81Å; L102-I157 HydrophobicContact CG-CG2 4.5Å; F120-I157 HydrophobicContact CD1-CD1 3.56Å; F120-I157 HydrophobicContact CD1-CG1 4.26Å; F120-I157 HydrophobicContact CE1-CD1 3.95Å; F120-I157 HydrophobicContact CE1-CG1 4.35Å; F120-I157 HydrophobicContact CE1-CG2 3.95Å; Y123-I157 HydrophobicContact CD1-CD1 4.21Å; Y123-I157 HydrophobicContact CD1-CG1 3.37Å; Y123-I157 HydrophobicContact CD2-CD1 4.03Å; Y123-I157 HydrophobicContact CD2-CG1 3.88Å; Y123-I157 HydrophobicContact CE1-CG1 3.83Å; Y123-I157 HydrophobicContact CE2-CG1 4.29Å; Y123-I157 HydrophobicContact CG-CD1 3.75Å; Y123-I157 HydrophobicContact CG-CG1 3.44Å; Y123-I157 VanDerWaalsContact CG-CG1 3.44Å; F148-I157 HydrophobicContact CE1-CD1 4.39Å; F148-I157 HydrophobicContact CE2-CD1 3.83Å; F148-I157 HydrophobicContact CZ-CD1 3.44Å; F148-I157 VanDerWaalsContact CZ-CD1 3.44Å; P153-I157 WeakPolarHBondContact O-CB 3.2Å; P153-I157 VanDerWaalsContact O-CD1 3.28Å; P153-I157 WeakPolarHBondContact O-CD1 3.48Å; P153-I157 WeakPolarHBondContact O-CG1 3.24Å; P153-I157 PolarHBondContact O-N 2.92Å; V154-I157 PolarHBondContact O-N 2.78Å; I157-L159 PolarHBondContact O-N 3.3Å; I157-Q160 PolarHBondContact O-N 3.34Å; I157-Q160 VanDerWaalsContact O-O 3.12Å; I157-H163 PolarHBondContact O-NE2 3.24Å; I157-V172 HydrophobicContact CG2-CB 3.96Å; I157-V172 HydrophobicContact CG2-CG1 4.19Å; I157-V172 HydrophobicContact CG2-CG2 3.69Å
158V93.3Very high93.9Very high25 Ų2536.2 Ų36.215%0.15220%0.197CC..THydrogen-bonded Turntrans-69.2-9.8-172.5-58.90000115L102 V154 Q160 K174L102-V158 HydrophobicContact CD1-CG1 3.72Å; V154-V158 HydrophobicContact CG1-CG1 4.42Å; V154-V158 WeakPolarHBondContact O-CG1 3.39Å; V154-V158 WeakPolarHBondContact O-CG2 3.17Å; V154-V158 PolarHBondContact O-N 3.26Å; V154-V158 VanDerWaalsContact O-N 3.08Å; V158-Q160 PolarHBondContact O-N 2.8Å; V158-K174 HydrophobicContact CG1-CG 4.2Å; V158-K174 HydrophobicContact CG2-CG 4.37Å
159L90.3Very high93.7Very high34 Ų3440.9 Ų40.918%0.17822%0.222CC..THydrogen-bonded Turntrans-62.9-25.2168-62175.6000112Q7 F8 R83 D155 K156 I157Q7-L159 HydrophobicContact CG-CD2 4.26Å; F8-L159 HydrophobicContact CD1-CB 3.87Å; F8-L159 HydrophobicContact CD1-CD1 3.77Å; F8-L159 HydrophobicContact CD1-CG 4.45Å; F8-L159 HydrophobicContact CE1-CB 3.52Å; F8-L159 HydrophobicContact CE1-CD1 4.32Å; F8-L159 HydrophobicContact CZ-CB 4.48Å; R83-L159 HydrophobicContact CB-CD1 4.37Å; D155-L159 WeakPolarHBondContact O-CG 3.49Å; K156-L159 PolarHBondContact O-N 3.47Å; I157-L159 PolarHBondContact O-N 3.3Å
160Q90.6Very high93.7Very high92 Ų9238.1 Ų38.143%0.4321%0.207SC..SBendtrans-108.6103.9170.5175.2166.8-41.600109.1I157 V158 Y162 H163 V172I157-Q160 PolarHBondContact O-N 3.34Å; I157-Q160 VanDerWaalsContact O-O 3.12Å; V158-Q160 PolarHBondContact O-N 2.8Å; Q160-Y162 VanDerWaalsContact CG-O 3.23Å; Q160-Y162 WeakPolarHBondContact CG-O 3.47Å; Q160-Y162 PolarHBondContact NE2-O 2.78Å; Q160-Y162 PolarHBondContact O-N 2.98Å; Q160-H163 PolarHBondContact O-CD2 2.73Å; Q160-H163 VanDerWaalsContact O-CD2 3.23Å; Q160-H163 PolarHBondContact O-NE2 2.93Å; Q160-V172 WeakPolarHBondContact O-CG2 3.49Å
161K89.4Confident93.7Very high64 Ų6439.1 Ų39.128%0.27821%0.211SC..SBendtrans-60.9-21.4-176.6-175.7168.1-177.4-70.20114.7E171 V172K161-E171 VanDerWaalsContact CE-OE1 3.24Å; K161-E171 WeakPolarHBondContact CE-OE1 3.31Å; K161-E171 HydrophobicContact CG-CG 4.31Å; K161-E171 IonicContact NZ-OE1 3.99Å; K161-E171 PolarHBondContact NZ-OE1 3.03Å; K161-E171 IonicContact NZ-OE2 2.66Å; K161-E171 PolarHBondContact NZ-OE2 2.85Å; K161-E171 WeakPolarHBondContact O-CA 3.4Å; K161-V172 PolarHBondContact O-N 2.64Å; K161-V172 VanDerWaalsContact O-N 3.14Å
162Y94.5Very high93.7Very high109 Ų10938.1 Ų38.143%0.42721%0.207SC..EExtended strand (participates in β ladder)trans-134123.8-168-71.7-63.5000111.8Q160 N169 A170 E171Q160-Y162 VanDerWaalsContact CG-O 3.23Å; Q160-Y162 WeakPolarHBondContact CG-O 3.47Å; Q160-Y162 PolarHBondContact NE2-O 2.78Å; Q160-Y162 PolarHBondContact O-N 2.98Å; Y162-N169 WeakPolarHBondContact CB-OD1 3.43Å; Y162-A170 WeakPolarHBondContact CA-O 3.26Å; Y162-E171 HydrophobicContact CD1-CB 4.3Å; Y162-E171 HydrophobicContact CE1-CB 4.04Å; Y162-E171 HydrophobicContact CE1-CG 4.42Å
163H95.4Very high93.6Very high1 Ų141.6 Ų41.61%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-126.6135.5-179.6-70.8-104.8000110.4Y119 I157 Q160 I165 A170 V172Y119-H163 HydrophobicContact CE1-CB 3.75Å; Y119-H163 AromaticContact CE1-CG 3.88Å; Y119-H163 AromaticContact CE1-ND1 3.41Å; Y119-H163 WeakPolarHBondContact CE1-ND1 3.39Å; Y119-H163 AromaticContact CZ-ND1 3.54Å; Y119-H163 PolarHBondContact OH-ND1 2.77Å; I157-H163 PolarHBondContact O-NE2 3.24Å; Q160-H163 PolarHBondContact O-CD2 2.73Å; Q160-H163 VanDerWaalsContact O-CD2 3.23Å; Q160-H163 PolarHBondContact O-NE2 2.93Å; H163-I165 HydrophobicContact CB-CD1 4.16Å; H163-I165 HydrophobicContact CB-CG1 4.08Å; H163-I165 PolarHBondContact O-N 2.89Å; H163-A170 PolarHBondContact N-O 2.67Å; H163-A170 PolarHBondContact O-N 2.83Å; H163-V172 HydrophobicContact CB-CG1 4.39Å; H163-V172 VanDerWaalsContact CD2-CG2 3.44Å; H163-V172 WeakPolarHBondContact CD2-CG2 3.1Å
164T94.6Very high93.5Very high96 Ų9642.6 Ų42.659%0.58922%0.222SC*.EExtended strand (participates in β ladder)trans-86.1106.7176.6-57.20000109.5H168T164-H168 CarbonylContact C-O 3.56Å; T164-H168 WeakPolarHBondContact CA-O 3.11Å
165I93.6Very high93.3Very high2 Ų243.1 Ų43.11%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-126.6127.3-175.9-47.6178.1000108.5V104 H115 L116 Y119 F120 H163 G167 H168 A170V104-I165 HydrophobicContact CG1-CD1 4.18Å; H115-I165 VanDerWaalsContact O-CG2 3.29Å; H115-I165 WeakPolarHBondContact O-CG2 3.19Å; L116-I165 HydrophobicContact CD2-CG2 4.04Å; Y119-I165 HydrophobicContact CD1-CD1 3.57Å; Y119-I165 HydrophobicContact CD1-CG1 3.61Å; Y119-I165 HydrophobicContact CD2-CG1 4.45Å; Y119-I165 HydrophobicContact CE1-CD1 3.96Å; Y119-I165 HydrophobicContact CE1-CG1 3.88Å; Y119-I165 HydrophobicContact CG-CD1 4.27Å; Y119-I165 HydrophobicContact CG-CG1 3.93Å; Y119-I165 HydrophobicContact CG-CG2 4.34Å; F120-I165 HydrophobicContact CE1-CD1 4.38Å; F120-I165 HydrophobicContact CE2-CD1 3.51Å; F120-I165 HydrophobicContact CZ-CD1 3.44Å; F120-I165 VanDerWaalsContact CZ-CD1 3.44Å; H163-I165 HydrophobicContact CB-CD1 4.16Å; H163-I165 HydrophobicContact CB-CG1 4.08Å; H163-I165 PolarHBondContact O-N 2.89Å; I165-G167 PolarHBondContact O-N 2.96Å; I165-H168 PolarHBondContact N-O 3.42Å; I165-H168 PolarHBondContact O-N 3.3Å; I165-A170 HydrophobicContact CD1-CB 4.13Å; I165-A170 HydrophobicContact CG1-CB 4.41Å
166N91.9Very high93Very high62 Ų6243.9 Ų43.933%0.33223%0.231SC..THydrogen-bonded Turntrans49.235.2-170-161.523.6000114.1D110 T111 H115 H168D110-N166 PolarHBondContact OD1-ND2 3.45Å; T111-N166 HydrophobicContact CG2-CB 4.27Å; H115-N166 HydrophobicContact CB-CB 4.35Å; H115-N166 PolarHBondContact CD2-OD1 3.5Å; H115-N166 VanDerWaalsContact CD2-OD1 3.32Å; H115-N166 PolarHBondContact NE2-OD1 2.88Å; N166-H168 PolarHBondContact O-CD2 3.04Å; N166-H168 PolarHBondContact O-CE1 3.45Å; N166-H168 PolarHBondContact O-N 3.03Å; N166-H168 PolarHBondContact O-NE2 3.45Å
167G91.7Very high92.5Very high68 Ų6844.1 Ų44.170%0.70124%0.238SC*.THydrogen-bonded Turntrans74.31.7-175.700000115.6I165I165-G167 PolarHBondContact O-N 2.96Å
168H92.3Very high91.8Very high19 Ų1954 Ų549%0.08828%0.275CS..EExtended strand (participates in β ladder)trans-102.7143.1176.4-46-52000111.2K108 D110 T111 T164 I165 N166 A170K108-H168 VanDerWaalsContact CD-CE1 3.49Å; K108-H168 WeakPolarHBondContact CD-CE1 3.41Å; K108-H168 WeakPolarHBondContact CE-ND1 3.5Å; K108-H168 PolarHBondContact NZ-CE1 2.84Å; K108-H168 VanDerWaalsContact NZ-CE1 3.27Å; K108-H168 PolarHBondContact NZ-ND1 2.92Å; D110-H168 IonicContact OD1-CD2 3.45Å; D110-H168 PolarHBondContact OD1-CD2 3.14Å; D110-H168 IonicContact OD1-CE1 3.26Å; D110-H168 IonicContact OD1-NE2 3.59Å; D110-H168 PolarHBondContact OD1-NE2 2.61Å; D110-H168 IonicContact OD2-CE1 2.6Å; D110-H168 PolarHBondContact OD2-CE1 2.8Å; D110-H168 VanDerWaalsContact OD2-CE1 3.24Å; D110-H168 IonicContact OD2-NE2 3.61Å; D110-H168 PolarHBondContact OD2-NE2 2.85Å; T111-H168 PolarHBondContact OG1-CD2 2.85Å; T164-H168 CarbonylContact C-O 3.56Å; T164-H168 WeakPolarHBondContact CA-O 3.11Å; I165-H168 PolarHBondContact N-O 3.42Å; I165-H168 PolarHBondContact O-N 3.3Å; N166-H168 PolarHBondContact O-CD2 3.04Å; N166-H168 PolarHBondContact O-CE1 3.45Å; N166-H168 PolarHBondContact O-N 3.03Å; N166-H168 PolarHBondContact O-NE2 3.45Å; H168-A170 PolarHBondContact O-N 2.8Å; H168-A170 VanDerWaalsContact O-N 3.16Å
169N94.2Very high91.1Very high97 Ų9759.7 Ų59.752%0.51930%0.3SS..EExtended strand (participates in β ladder)trans-82.590.8176.6-17539.3000110.6Y162Y162-N169 WeakPolarHBondContact CB-OD1 3.43Å
170A95.4Very high90.6Very high0 Ų061 Ų610%031%0.305CS..EExtended strand (participates in β ladder)trans-79.2139.7-18000000111.9V104 G105 I107 Y162 H163 I165 H168V104-A170 HydrophobicContact CG1-CB 4.03Å; G105-A170 CarbonylContact O-C 3.51Å; G105-A170 WeakPolarHBondContact O-CA 3.25Å; G105-A170 WeakPolarHBondContact O-CB 3.46Å; I107-A170 HydrophobicContact CG2-CB 4.04Å; Y162-A170 WeakPolarHBondContact CA-O 3.26Å; H163-A170 PolarHBondContact N-O 2.67Å; H163-A170 PolarHBondContact O-N 2.83Å; I165-A170 HydrophobicContact CD1-CB 4.13Å; I165-A170 HydrophobicContact CG1-CB 4.41Å; H168-A170 PolarHBondContact O-N 2.8Å; H168-A170 VanDerWaalsContact O-N 3.16Å
171E95.2Very high89.9Confident55 Ų5559.9 Ų59.926%0.25730%0.301SS..EExtended strand (participates in β ladder)trans-93120.5169.1177.6164.7160.500110.1G105 K161 Y162 R173G105-E171 PolarHBondContact N-O 3.42Å; G105-E171 PolarHBondContact O-N 3.27Å; K161-E171 VanDerWaalsContact CE-OE1 3.24Å; K161-E171 WeakPolarHBondContact CE-OE1 3.31Å; K161-E171 HydrophobicContact CG-CG 4.31Å; K161-E171 IonicContact NZ-OE1 3.99Å; K161-E171 PolarHBondContact NZ-OE1 3.03Å; K161-E171 IonicContact NZ-OE2 2.66Å; K161-E171 PolarHBondContact NZ-OE2 2.85Å; K161-E171 WeakPolarHBondContact O-CA 3.4Å; Y162-E171 HydrophobicContact CD1-CB 4.3Å; Y162-E171 HydrophobicContact CE1-CB 4.04Å; Y162-E171 HydrophobicContact CE1-CG 4.42Å; E171-R173 HydrophobicContact CG-CG 4.26Å; E171-R173 WeakPolarHBondContact OE1-CD 3.04Å
172V95Very high89.4Confident3 Ų362.6 Ų62.62%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-102.8139.2180-58.30000111.2L102 F103 F120 I157 Q160 K161 H163L102-V172 HydrophobicContact CD1-CB 4.27Å; L102-V172 HydrophobicContact CD2-CB 4.47Å; L102-V172 HydrophobicContact CD2-CG1 4.43Å; F103-V172 WeakPolarHBondContact O-CA 3.49Å; F120-V172 HydrophobicContact CE1-CG1 4.37Å; F120-V172 HydrophobicContact CZ-CG1 3.95Å; I157-V172 HydrophobicContact CG2-CB 3.96Å; I157-V172 HydrophobicContact CG2-CG1 4.19Å; I157-V172 HydrophobicContact CG2-CG2 3.69Å; Q160-V172 WeakPolarHBondContact O-CG2 3.49Å; K161-V172 PolarHBondContact O-N 2.64Å; K161-V172 VanDerWaalsContact O-N 3.14Å; H163-V172 HydrophobicContact CB-CG1 4.39Å; H163-V172 VanDerWaalsContact CD2-CG2 3.44Å; H163-V172 WeakPolarHBondContact CD2-CG2 3.1Å
173R92.7Very high88.6Confident88 Ų8863.1 Ų63.133%0.33232%0.321SS..EExtended strand (participates in β ladder)trans-150.1156.3-179.8-62.2-176.462.6-173.3-9.7111F103 E171 A175F103-R173 HydrophobicContact CD1-CB 4.3Å; F103-R173 PolarHBondContact N-O 2.66Å; F103-R173 PolarHBondContact O-N 3.05Å; E171-R173 HydrophobicContact CG-CG 4.26Å; E171-R173 WeakPolarHBondContact OE1-CD 3.04Å; R173-A175 PolarHBondContact O-N 3.47Å
174K94.3Very high87.5Confident28 Ų2863.9 Ų63.912%0.12233%0.326CS..EExtended strand (participates in β ladder)trans-56.8127.8166.3-70.5-173.5172.1-173.60109.9A95 V97 V99 V154 D155 V158 L176A95-K174 PolarHBondContact O-NZ 3.09Å; V97-K174 WeakPolarHBondContact O-CD 3.25Å; V97-K174 PolarHBondContact O-NZ 2.88Å; V99-K174 HydrophobicContact CG2-CB 3.73Å; V99-K174 HydrophobicContact CG2-CD 4.26Å; V99-K174 HydrophobicContact CG2-CG 3.93Å; V154-K174 HydrophobicContact CG1-CG 4.09Å; D155-K174 WeakPolarHBondContact OD1-CE 3.22Å; D155-K174 IonicContact OD1-NZ 3.65Å; D155-K174 PolarHBondContact OD1-NZ 3.45Å; V158-K174 HydrophobicContact CG1-CG 4.2Å; V158-K174 HydrophobicContact CG2-CG 4.37Å; K174-L176 PolarHBondContact O-N 3.3Å
175A92.8Very high86.3Confident12 Ų1265 Ų6510%0.09933%0.325CS..  trans-79.3110178.400000110K101 F103 F145 R173K101-A175 HydrophobicContact CB-CB 3.99Å; K101-A175 HydrophobicContact CG-CB 3.89Å; K101-A175 WeakPolarHBondContact O-CB 3.27Å; K101-A175 PolarHBondContact O-N 3.11Å; F103-A175 HydrophobicContact CB-CB 4.21Å; F145-A175 HydrophobicContact CD1-CB 3.71Å; F145-A175 HydrophobicContact CE1-CB 3.85Å; R173-A175 PolarHBondContact O-N 3.47Å
176L87.5Confident85.1Confident22 Ų2268.6 Ų68.612%0.11535%0.35CS..  trans-82.1152.8172.8-56.3-178.1000110.6K174 E180 V184K174-L176 PolarHBondContact O-N 3.3Å; L176-E180 HydrophobicContact CB-CB 3.89Å; L176-E180 HydrophobicContact CD1-CB 4.43Å; L176-V184 HydrophobicContact CD1-CG2 4.2Å
177S82.6Confident83.6Confident50 Ų5068.9 Ų68.935%0.3536%0.357SS..  trans-60.8165.4172.371.20000111.5Q179 E180 M181S177-Q179 PolarHBondContact O-N 3.4Å; S177-E180 WeakPolarHBondContact CA-OE2 3.18Å; S177-E180 WeakPolarHBondContact CB-OE2 3.44Å; S177-E180 PolarHBondContact N-OE2 3.3Å; S177-E180 WeakPolarHBondContact OG-CG 3.25Å; S177-E180 PolarHBondContact OG-N 3.07Å; S177-E180 PolarHBondContact OG-OE2 3.25Å; S177-M181 VanDerWaalsContact O-CB 3.25Å; S177-M181 WeakPolarHBondContact O-CB 3.49Å; S177-M181 PolarHBondContact O-N 3.19Å
178R80.2Confident81.9Confident207 Ų20773 Ų7378%0.78135%0.351SS*.Hα-helixtrans-63.1-27.1178.5-66.3-174.9-177.1173.34.3113Q182R178-Q182 VanDerWaalsContact O-CD 3.32Å; R178-Q182 WeakPolarHBondContact O-CG 3.42Å; R178-Q182 PolarHBondContact O-N 2.8Å; R178-Q182 PolarHBondContact O-NE2 3.01Å
179Q79.4Confident79.9Confident144 Ų14476.9 Ų76.967%0.67338%0.38SS*.Hα-helixtrans-75.2-56.6178.1-72.6169.8-39.300110.4S177 M181 Q182 E183S177-Q179 PolarHBondContact O-N 3.4Å; Q179-M181 PolarHBondContact O-N 2.89Å; Q179-Q182 WeakPolarHBondContact O-CA 3.32Å; Q179-Q182 WeakPolarHBondContact O-CB 3.31Å; Q179-Q182 PolarHBondContact O-N 3.2Å; Q179-E183 PolarHBondContact O-N 3.33Å
180E79.7Confident77.8Confident61 Ų6175.6 Ų75.629%0.28539%0.39SS..Hα-helixtrans-52.8-42173.5-67.9164.1101.400111.6L176 S177 Q182 E183 V184L176-E180 HydrophobicContact CB-CB 3.89Å; L176-E180 HydrophobicContact CD1-CB 4.43Å; S177-E180 WeakPolarHBondContact CA-OE2 3.18Å; S177-E180 WeakPolarHBondContact CB-OE2 3.44Å; S177-E180 PolarHBondContact N-OE2 3.3Å; S177-E180 WeakPolarHBondContact OG-CG 3.25Å; S177-E180 PolarHBondContact OG-N 3.07Å; S177-E180 PolarHBondContact OG-OE2 3.25Å; E180-Q182 VanDerWaalsContact C-N 3.33Å; E180-Q182 PolarHBondContact O-N 3.36Å; E180-E183 PolarHBondContact O-N 3.24Å; E180-V184 WeakPolarHBondContact O-CB 3.48Å; E180-V184 WeakPolarHBondContact O-CG2 3.28Å; E180-V184 PolarHBondContact O-N 3.18Å
181M76Confident75.5Confident69 Ų6986.4 Ų86.434%0.3443%0.431SS..Hα-helixtrans-65.1-34178.3-170177.3-64.600112.8S177 Q179 Q185S177-M181 VanDerWaalsContact O-CB 3.25Å; S177-M181 WeakPolarHBondContact O-CB 3.49Å; S177-M181 PolarHBondContact O-N 3.19Å; Q179-M181 PolarHBondContact O-N 2.89Å; M181-Q185 VanDerWaalsContact O-CG 3.25Å; M181-Q185 WeakPolarHBondContact O-CG 3.33Å; M181-Q185 PolarHBondContact O-N 2.95Å; M181-Q185 VanDerWaalsContact O-N 3.09Å
182Q79.1Confident72.9Confident122 Ų12286.7 Ų86.757%0.5745%0.448SS*.Hα-helixtrans-70.8-41.5174.3-74.6166.527.500111.3R178 Q179 E180 V184 Q185 S186R178-Q182 VanDerWaalsContact O-CD 3.32Å; R178-Q182 WeakPolarHBondContact O-CG 3.42Å; R178-Q182 PolarHBondContact O-N 2.8Å; R178-Q182 PolarHBondContact O-NE2 3.01Å; Q179-Q182 WeakPolarHBondContact O-CA 3.32Å; Q179-Q182 WeakPolarHBondContact O-CB 3.31Å; Q179-Q182 PolarHBondContact O-N 3.2Å; E180-Q182 VanDerWaalsContact C-N 3.33Å; E180-Q182 PolarHBondContact O-N 3.36Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-V184 PolarHBondContact O-N 3.27Å; Q182-Q185 PolarHBondContact O-N 3.07Å; Q182-Q185 VanDerWaalsContact O-N 3.14Å; Q182-S186 PolarHBondContact O-N 2.88Å; Q182-S186 PolarHBondContact O-OG 3.18Å
183E77.2Confident70.2Confident119 Ų11989 Ų8956%0.55647%0.473SS*.Hα-helixtrans-62.1-38.4174.1-67.5166-166.100112.1Q179 E180 Q185 S186 S187Q179-E183 PolarHBondContact O-N 3.33Å; E180-E183 PolarHBondContact O-N 3.24Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; E183-S186 PolarHBondContact O-OG 3.44Å; E183-S186 VanDerWaalsContact O-OG 3.11Å; E183-S187 VanDerWaalsContact O-CB 3.26Å; E183-S187 WeakPolarHBondContact O-CB 3.35Å; E183-S187 PolarHBondContact O-N 2.96Å; E183-S187 PolarHBondContact O-OG 3.33Å
184V72.7Confident67.7Low18 Ų1892.4 Ų92.411%0.10950%0.497CS..Hα-helixtrans-70.7-26.9174.6172.60000112.6P93 L176 E180 Q182 S187 R188P93-V184 HydrophobicContact CB-CG2 3.49Å; P93-V184 VanDerWaalsContact CB-CG2 3.49Å; P93-V184 HydrophobicContact CG-CB 4.21Å; P93-V184 HydrophobicContact CG-CG1 3.79Å; P93-V184 HydrophobicContact CG-CG2 3.4Å; P93-V184 VanDerWaalsContact CG-CG2 3.4Å; L176-V184 HydrophobicContact CD1-CG2 4.2Å; E180-V184 WeakPolarHBondContact O-CB 3.48Å; E180-V184 WeakPolarHBondContact O-CG2 3.28Å; E180-V184 PolarHBondContact O-N 3.18Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-V184 PolarHBondContact O-N 3.27Å; V184-S187 WeakPolarHBondContact CA-OG 3.46Å; V184-S187 PolarHBondContact O-OG 3.29Å; V184-R188 WeakPolarHBondContact O-CB 3.42Å; V184-R188 WeakPolarHBondContact O-CD 3.48Å; V184-R188 VanDerWaalsContact O-CG 3.25Å; V184-R188 WeakPolarHBondContact O-CG 3.28Å; V184-R188 PolarHBondContact O-N 3.29Å
185Q69.8Low65Low120 Ų12099.8 Ų99.856%0.56153%0.53SS*.Hα-helixtrans-80.6-43.2174.4-74.3172.815.200111.8M181 Q182 E183 R188 S189M181-Q185 VanDerWaalsContact O-CG 3.25Å; M181-Q185 WeakPolarHBondContact O-CG 3.33Å; M181-Q185 PolarHBondContact O-N 2.95Å; M181-Q185 VanDerWaalsContact O-N 3.09Å; Q182-Q185 PolarHBondContact O-N 3.07Å; Q182-Q185 VanDerWaalsContact O-N 3.14Å; E183-Q185 VanDerWaalsContact C-N 3.32Å; Q185-R188 PolarHBondContact O-N 3.01Å; Q185-S189 PolarHBondContact O-N 3.31Å
186S66.7Low62.3Low77 Ų77102 Ų10254%0.53855%0.554SS.*Hα-helixtrans-65.3-43.7177.664.50000111.9Q182 E183 R188 S189 G190Q182-S186 PolarHBondContact O-N 2.88Å; Q182-S186 PolarHBondContact O-OG 3.18Å; E183-S186 PolarHBondContact O-OG 3.44Å; E183-S186 VanDerWaalsContact O-OG 3.11Å; S186-R188 VanDerWaalsContact C-N 3.27Å; S186-R188 PolarHBondContact O-N 3.42Å; S186-S189 PolarHBondContact O-N 2.86Å; S186-G190 PolarHBondContact O-N 3.14Å
187S60.9Low59.9Low68 Ų68110.4 Ų110.448%0.47659%0.59SS.*Hα-helixtrans-66.7-22.617657.90000114.2E183 V184E183-S187 VanDerWaalsContact O-CB 3.26Å; E183-S187 WeakPolarHBondContact O-CB 3.35Å; E183-S187 PolarHBondContact O-N 2.96Å; E183-S187 PolarHBondContact O-OG 3.33Å; V184-S187 WeakPolarHBondContact CA-OG 3.46Å; V184-S187 PolarHBondContact O-OG 3.29Å
188R56Low57.7Low155 Ų155111 Ų11159%0.58560%0.604SS**Hα-helixtrans-78.9-42168.8-78.6177.1173-146.2-5.8112.2V184 Q185 S186 R191V184-R188 WeakPolarHBondContact O-CB 3.42Å; V184-R188 WeakPolarHBondContact O-CD 3.48Å; V184-R188 VanDerWaalsContact O-CG 3.25Å; V184-R188 WeakPolarHBondContact O-CG 3.28Å; V184-R188 PolarHBondContact O-N 3.29Å; Q185-R188 PolarHBondContact O-N 3.01Å; S186-R188 VanDerWaalsContact C-N 3.27Å; S186-R188 PolarHBondContact O-N 3.42Å; R188-R191 PolarHBondContact O-N 2.98Å
189S50.9Low55.7Low100 Ų100107.9 Ų107.970%0.69960%0.603SS**Hα-helixtrans-62.4-44.7177.1-163.40000111.5Q185 S186 R191 G192Q185-S189 PolarHBondContact O-N 3.31Å; S186-S189 PolarHBondContact O-N 2.86Å; S189-R191 PolarHBondContact O-N 2.77Å; S189-G192 PolarHBondContact O-N 2.81Å
190G49.9Very low54Low70 Ų70106.2 Ų106.272%0.72261%0.607SS**THydrogen-bonded Turntrans-70.73.6177.800000116S186S186-G190 PolarHBondContact O-N 3.14Å
191R46.8Very low52.1Low227 Ų227114.7 Ų114.786%0.85764%0.637SS**THydrogen-bonded Turntrans-116.73.3175.1-117.1179.5-176.4179.82.3114.3R188 S189 G193R188-R191 PolarHBondContact O-N 2.98Å; S189-R191 PolarHBondContact O-N 2.77Å; R191-G193 PolarHBondContact O-N 2.87Å
192G40.6Very low50.3Low60 Ų60114.7 Ų114.762%0.61965%0.654SS**SBendtrans-63.4111.1155.300000107.8S189 N194S189-G192 PolarHBondContact O-N 2.81Å; G192-N194 PolarHBondContact O-N 3.43Å
193G39.3Very low48.3Very low52 Ų52113.2 Ų113.254%0.53667%0.671SS.*  trans-57.8131.2-165.800000113R191 F195R191-G193 PolarHBondContact O-N 2.87Å; G193-F195 WeakPolarHBondContact O-CD2 3.44Å; G193-F195 PolarHBondContact O-N 3.1Å
194N40Very low46.3Very low160 Ų160111.4 Ų111.486%0.85669%0.685SS**  trans-63.679.4157.2-179.886.8000108G192 G196G192-N194 PolarHBondContact O-N 3.43Å; N194-G196 PolarHBondContact O-N 2.77Å
195F36Very low44.5Very low183 Ų183113.8 Ų113.880%0.80371%0.713SS**  trans-62.994161.1-75.5-79000106.1G193 F197G193-F195 WeakPolarHBondContact O-CD2 3.44Å; G193-F195 PolarHBondContact O-N 3.1Å; F195-F197 VanDerWaalsContact C-N 3.29Å; F195-F197 PolarHBondContact O-N 2.76Å
196G37.2Very low42.8Very low59 Ų59115.3 Ų115.361%0.60873%0.725SS**  trans-61.397.2171.500000108.2N194 G198N194-G196 PolarHBondContact O-N 2.77Å; G196-G198 VanDerWaalsContact C-N 3.27Å; G196-G198 PolarHBondContact O-N 2.89Å
197F37.3Very low41.6Very low197 Ų197122 Ų12286%0.86475%0.745SS**  trans-53.7104.6151.1-77.8-87.6000105.3F195 D199F195-F197 VanDerWaalsContact C-N 3.29Å; F195-F197 PolarHBondContact O-N 2.76Å; F197-D199 PolarHBondContact O-N 3.35Å
198G36.7Very low40.6Very low62 Ų62122 Ų12264%0.63976%0.755SS**  trans-66.498.9-176.300000108.2G196 S200G196-G198 VanDerWaalsContact C-N 3.27Å; G196-G198 PolarHBondContact O-N 2.89Å; G198-S200 PolarHBondContact O-N 2.82Å; G198-S200 PolarHBondContact O-OG 3.11Å
199D38Very low40Very low142 Ų142121.3 Ų121.376%0.75977%0.771SS**  trans-75.967.6-176.3-145-40.6000110.5F197 R201 G202F197-D199 PolarHBondContact O-N 3.35Å; D199-R201 PolarHBondContact O-N 2.98Å; D199-G202 PolarHBondContact O-N 2.69Å
200S43.1Very low39.4Very low110 Ų110119.9 Ų119.977%0.76977%0.772SS**THydrogen-bonded Turntrans-7550.6-179.1-61.10000111.4G198G198-S200 PolarHBondContact O-N 2.82Å; G198-S200 PolarHBondContact O-OG 3.11Å
201R39.4Very low39Very low239 Ų239122.8 Ų122.890%0.90278%0.779SS**THydrogen-bonded Turntrans-15217.5169.8-97.1128.4-163.5-992.3114D199D199-R201 PolarHBondContact O-N 2.98Å
202G38.9Very low38.6Very low69 Ų69115.8 Ų115.871%0.71178%0.777SS**  trans-91.6-0.217500000117D199 G204D199-G202 PolarHBondContact O-N 2.69Å; G202-G204 VanDerWaalsContact C-N 3.26Å; G202-G204 PolarHBondContact O-N 3.42Å
203G37Very low38.8Very low90 Ų90117.8 Ų117.893%0.92878%0.781SS**  trans-77.353.2-171.500000115.9
204G35.9Very low38.9Very low81 Ų81121 Ų12184%0.83579%0.786SS**  trans-111.385.6-176.400000114.3G202G202-G204 VanDerWaalsContact C-N 3.26Å; G202-G204 PolarHBondContact O-N 3.42Å
205G33.6Very low39Very low69 Ų69120.8 Ų120.871%0.71178%0.778SS**  trans164.1149166.400000117.5
206N35.3Very low39.1Very low152 Ų152123.2 Ų123.281%0.81378%0.782SS**  trans74.649.7153.9-154.768000121.1
207F41.2Very low39Very low217 Ų217124 Ų12495%0.95279%0.789SS**  trans-149.5141.7142.3-59.2-81.8000106.6
208G39.7Very low39Very low67 Ų67118.4 Ų118.469%0.69179%0.787SS**  cis-178150.4-7.300000106.8
209P43.4Very low39Very low141 Ų141120.1 Ų120.192%0.91679%0.79SS**  trans-87120.2-161.531.4-35000116.4
210G37.5Very low39.1Very low71 Ų71119.9 Ų119.973%0.73279%0.788SS**  trans82.3-177.4162.100000116.7
211P42.4Very low38.7Very low131 Ų131118.5 Ų118.585%0.85179%0.792SS**  cis-129.8147.31.539.1-23.6000116.4
212G38.9Very low38.6Very low80 Ų80117.9 Ų117.983%0.82579%0.791SS**  trans68.6173.3167.600000115.5
213S43.6Very low38.5Very low101 Ų101117.9 Ų117.971%0.70679%0.791SS**  cis-158.2149.1-18.360.80000105.7
214N40.8Very low38.5Very low120 Ų120120 Ų12064%0.64279%0.791SS**  178.5160.260.9-112-33.9000110.3
215F42.3Very low38.5Very low155 Ų155118.9 Ų118.968%0.6878%0.781SS**  trans50.2116.6158.7-57.9-55.8000120.6
216R38.8Very low38.5Very low235 Ų235127.6 Ų127.689%0.88779%0.792SS**  62.1134.7100.5-66.8178.7178.3-173.3-0.4115.5
217G34.6Very low38.4Very low74 Ų74123.1 Ų123.176%0.76378%0.782SS**  cis144.4134.4-2.200000112.5
218G37.8Very low38.1Very low80 Ų80122.6 Ų122.683%0.82578%0.779SS**  trans76.4160.3-168.500000112.4
219S36.8Very low37.8Very low98 Ų98122.4 Ų122.469%0.68578%0.777SS**  cis-163.6-172.7-14.6-167.10000107.6
220D40.1Very low37.4Very low137 Ų137123.5 Ų123.573%0.73378%0.775SS**  trans63.886.6151.7-45.7-28.3000116.9
221G34.5Very low37.2Very low82 Ų82122.9 Ų122.985%0.84577%0.769SS**  trans-88.9146.6167.500000112.9
222Y37.8Very low36.9Very low226 Ų226126.7 Ų126.789%0.88677%0.768SS**  trans-147.2144.3159.746.4-89.4000109.3
223G36Very low36.8Very low69 Ų69128.2 Ų128.271%0.71176%0.757SS**  trans-101.7167.1-179.100000113.1
224S37.2Very low36.6Very low133 Ų133127.4 Ų127.493%0.9377%0.765SS**  trans70.4110.2164.9-161.10000118.2
225G35.4Very low36.4Very low59 Ų59131 Ų13161%0.60877%0.771SS**  130.4113.4117.600000118.6
226R34.3Very low36.1Very low251 Ų251127.6 Ų127.695%0.94778%0.779SS**  trans70.9145.9158.7-42.2173.1-163.7-152.12114.6
227G33.5Very low36Very low58 Ų58120.4 Ų120.460%0.59878%0.778SS**  cis155.9158.3-9.500000112.6
228F33.9Very low36.2Very low207 Ų207120.5 Ų120.591%0.90878%0.779SS**  trans70.5160.9168.3-47.4-79.5000118.3
229G33.9Very low36.5Very low62 Ų62123.1 Ų123.164%0.63978%0.782SS**  trans8992177.600000113.2
230D34.9Very low36.6Very low164 Ų164122.4 Ų122.488%0.87779%0.79SS**  65.4123.658.2-61-73.5000114.9
231G33.4Very low36.5Very low59 Ų59119.7 Ų119.761%0.60879%0.794SS**  trans148102.7149.200000120.3
232Y36.1Very low36.5Very low210 Ų210119.8 Ų119.882%0.82480%0.795SS**  trans63.2109133.8-52.7-69.6000123.3
233N38.1Very low36.4Very low113 Ų113116.5 Ų116.560%0.60479%0.793SS**  45.5117.5125.1-57.5-2.4000121.4Y235N233-Y235 HydrophobicContact CB-CE1 4.21Å; N233-Y235 HydrophobicContact CB-CE2 3.94Å; N233-Y235 WeakPolarHBondContact CB-OH 3.47Å; N233-Y235 PolarHBondContact ND2-OH 2.92Å; N233-Y235 VanDerWaalsContact ND2-OH 3.09Å
234G38.3Very low36.5Very low84 Ų84122.8 Ų122.887%0.86680%0.801SS**  trans-137.289.7167.400000112.8
235Y36.4Very low36.5Very low196 Ų196120.4 Ų120.477%0.76980%0.797SS**  trans-68.7145.8-165.9-44-96.2000116.8N233N233-Y235 HydrophobicContact CB-CE1 4.21Å; N233-Y235 HydrophobicContact CB-CE2 3.94Å; N233-Y235 WeakPolarHBondContact CB-OH 3.47Å; N233-Y235 PolarHBondContact ND2-OH 2.92Å; N233-Y235 VanDerWaalsContact ND2-OH 3.09Å
236G36.5Very low36.7Very low82 Ų82121.4 Ų121.485%0.84581%0.808SS**  trans88.8152.6152.400000117.5
237G36.2Very low37Very low85 Ų85115.1 Ų115.188%0.87680%0.802SS**  cis156.7150.2-9.900000113.8
238G39.2Very low37.4Very low75 Ų75117.6 Ų117.677%0.77381%0.808SS**  trans112.5155.5163.700000116.3
239P43.5Very low37.7Very low136 Ų136111.8 Ų111.888%0.88381%0.806SS**  trans-137.6177.1-148.340.6-21.3000116.7
240G40.2Very low37.9Very low83 Ų83120 Ų12086%0.85682%0.819SS**  trans106.4148.3162.200000114.4
241G38.1Very low38.1Very low80 Ų80116 Ų11683%0.82582%0.817SS**  cis-171.8142.1-6.700000110.5
242G34Very low38.3Very low84 Ų84117.4 Ų117.487%0.86683%0.832SS**  trans-84.9143.9176.700000111.9
243N35.8Very low38.5Very low157 Ų157111.4 Ų111.484%0.8483%0.834SS**  trans-145.4155.2161.4-164.119.3000111.4
244F36.8Very low38.6Very low201 Ų201118.1 Ų118.188%0.88285%0.851SS**  trans-96.3157.7-178.2-67.6-109.4000111.5
245G38.2Very low38.6Very low82 Ų82117.6 Ų117.685%0.84585%0.846SS**  trans148.1146.1158.300000115.2
246G39.3Very low39Very low81 Ų81112 Ų11284%0.83585%0.847SS**  trans114.188.9164.200000116.4
247S39.8Very low39.2Very low118 Ų118118.9 Ų118.983%0.82585%0.849SS**  trans-131.8171.1158.1-68.90000107.8
248P43.9Very low39.4Very low110 Ų110118.9 Ų118.971%0.71485%0.85SS**  cis-126151.4-45.435.5-22.8000111.5
249G38.9Very low39.5Very low85 Ų85119 Ų11988%0.87685%0.851SS**  trans-95.8107.5-178.200000114.6
250Y38.1Very low39.4Very low234 Ų234116.8 Ų116.892%0.91885%0.852SS**  trans-91.8131.7159.2-80.9-101.3000109.6
251G39.7Very low39.5Very low81 Ų81116.4 Ų116.484%0.83585%0.848SS**  trans-166115.7175.100000112
252G36.9Very low39.9Very low89 Ų89118.8 Ų118.892%0.91885%0.849SS**  trans-96.1139.3-179.900000112.7
253G41.6Very low40.2Very low83 Ų83118.1 Ų118.186%0.85684%0.843SS**  trans-113.7126.7172.200000111.6
254R40Very low40.5Very low254 Ų254121.2 Ų121.296%0.95884%0.844SS**  trans-96.3147.4172.6-85.6-174.8168.1-147.20.8111
255G38.1Very low40.6Very low74 Ų74115.2 Ų115.276%0.76384%0.839SS**  trans94.4114.4137.100000117.4
256G43.3Very low40.6Very low78 Ų78117.7 Ų117.780%0.80483%0.833SS**  trans-147.3133.6157.200000107.6
257Y41.4Very low40.6Very low226 Ų226122.2 Ų122.289%0.88683%0.832SS**  trans-141.9148.1-166.538.9-105.7000112.5
258G40.7Very low40.5Very low86 Ų86120.2 Ų120.289%0.88783%0.83SS**  trans126.6139.5175.600000113
259G41.5Very low40.2Very low77 Ų77119.2 Ų119.279%0.79484%0.84SS**  cis168.8142.5-8.900000113.6
260G41.7Very low40.2Very low89 Ų89118.7 Ų118.792%0.91884%0.835SS**  trans76.7153.9176.300000115.1
261G42.4Very low40.1Very low75 Ų75118.2 Ų118.277%0.77383%0.833SS**  cis-171.9150.6-6.900000110.5
262P45.4Very low40.1Very low130 Ų130118.2 Ų118.284%0.84483%0.833SS**  trans-101.2161.6-163.238.2-35.9000116
263G41.2Very low40.1Very low71 Ų71118 Ų11873%0.73283%0.831SS**  trans-136.2162.2171.200000112.1
264Y40.8Very low39.9Very low221 Ų221117.6 Ų117.687%0.86783%0.826SS**  trans-150.4163-157.344.3-100.1000113.7
265G40.4Very low39.8Very low75 Ų75115.2 Ų115.277%0.77382%0.819SS**  trans103.7144169.400000115
266N37.7Very low39.9Very low135 Ų135117.6 Ų117.672%0.72281%0.814SS**  cis146.9144.8-30.8-174.217.7000109.4
267Q39.9Very low39.6Very low175 Ų175121.3 Ų121.382%0.81882%0.815SS**  trans64.8150.3-179.2-58.9140.753.900114.9
268G37.7Very low39.3Very low76 Ų76121 Ų12178%0.78481%0.814SS**  cis-158.3154.6-1000000107.6
269G36.9Very low39Very low89 Ų89120.7 Ų120.792%0.91881%0.812SS**  95.8106.372.400000110.8
270G39Very low38.8Very low74 Ų74120.8 Ų120.876%0.76381%0.812SS**  trans-175140.6-179.100000112.8
271Y35.9Very low38.4Very low225 Ų225120.7 Ų120.788%0.88281%0.811SS**  trans-132162.3-161.241.3-100.3000112.8
272G39.5Very low38Very low81 Ų81122.8 Ų122.884%0.83580%0.804SS**  trans99.5144.3174.800000113.4
273G36Very low37.5Very low85 Ų85126.5 Ų126.588%0.87680%0.803SS**  cis135.893.11.800000110.7
274G38.8Very low37.1Very low73 Ų73126.7 Ų126.775%0.75381%0.806SS**  trans-163.6149.4-176.700000110.8
275Y38.1Very low36.9Very low205 Ų205122.2 Ų122.280%0.80481%0.807SS**  trans-125.9165.2-156.341.3-97.6000112.9
276D39.1Very low36.6Very low124 Ų124121.4 Ų121.466%0.66380%0.798SS**  trans52.8110.4159.2-52.7-39.9000120.5
277N37.1Very low36.3Very low156 Ų156121 Ų12183%0.83480%0.796SS**  -153.6163.7103-129.1-82.2000115
278Y35Very low36.4Very low218 Ų218123 Ų12386%0.85580%0.798SS**  trans-97.4151.1178.4-75.9-117.4000110.8
279G35.2Very low36.4Very low81 Ų81126 Ų12684%0.83580%0.796SS**  trans143.8145.5151.600000117
280G37Very low36.4Very low78 Ų78128 Ų12880%0.80479%0.785SS**  trans85.559151.100000117.7N282G280-N282 PolarHBondContact O-N 2.83Å
281G32.8Very low36.5Very low87 Ų87135.2 Ų135.290%0.89780%0.796SS**  trans-65.7119157.800000110.5
282N34.3Very low36.6Very low119 Ų119127.6 Ų127.664%0.63679%0.786SS**  trans-143149.7171.5-156.8-50.2000110.3G280 G284G280-N282 PolarHBondContact O-N 2.83Å; N282-G284 PolarHBondContact O-N 2.75Å
283Y34.8Very low36.3Very low208 Ų208130.6 Ų130.682%0.81678%0.783SS**  trans-83.995.3-161.126.4-90.4000112S285Y283-S285 PolarHBondContact O-N 3.47Å
284G33.7Very low36.3Very low76 Ų76136.7 Ų136.778%0.78478%0.781SS**  trans-67.6113.317500000112.9N282 G286N282-G284 PolarHBondContact O-N 2.75Å; G284-G286 PolarHBondContact O-N 3.42Å
285S35.3Very low36.3Very low127 Ų127139.6 Ų139.689%0.88878%0.779SS**  trans-68.797.7172.5-173.40000110.9Y283 N287Y283-S285 PolarHBondContact O-N 3.47Å; S285-N287 PolarHBondContact O-N 2.82Å
286G33.9Very low36.5Very low58 Ų58136.2 Ų136.260%0.59877%0.771SS**  trans-85.587.9-174.900000113.7G284 Y288G284-G286 PolarHBondContact O-N 3.42Å; G286-Y288 PolarHBondContact O-N 2.89Å
287N32.1Very low36.6Very low125 Ų125138.3 Ų138.367%0.66878%0.776SS**  trans-70.2118.6171.4-179.68000110.9S285 N289S285-N287 PolarHBondContact O-N 2.82Å; N287-N289 PolarHBondContact OD1-ND2 2.89Å
288Y43Very low36.7Very low219 Ų219137.1 Ų137.186%0.85978%0.777SS**  trans-124.175.2174.5-78.3-76.6000111.6G286G286-Y288 PolarHBondContact O-N 2.89Å
289N37.1Very low37Very low138 Ų138132.2 Ų132.274%0.73878%0.775SS**  trans-90.4167.1148.9-71.6-92.1000109.1N287N287-N289 PolarHBondContact OD1-ND2 2.89Å
290D36.9Very low37.1Very low131 Ų131135.5 Ų135.570%0.70177%0.773SS**  trans86.3111.4-179.7-159-4000116.8G292D290-G292 PolarHBondContact OD1-N 3.09Å
291F41.1Very low37.1Very low225 Ų225142.6 Ų142.699%0.98778%0.777SS**  trans-139.770.2157.5-107.1-70.6000110.1
292G37.5Very low37.4Very low65 Ų65141.1 Ų141.167%0.6776%0.762SS**  trans105.582.2149.100000116D290D290-G292 PolarHBondContact OD1-N 3.09Å
293N34.6Very low37.8Very low145 Ų145141.8 Ų141.878%0.77577%0.773SS**  trans-103.3131.3153-169.95.1000109.9
294Y35.7Very low38.1Very low213 Ų213141 Ų14184%0.83578%0.779SS**  trans-125.9138.8174.4-110.8-83.9000110.2
295N38.8Very low38.3Very low133 Ų133147.1 Ų147.171%0.71178%0.784SS**  trans89.4126.4158.6-121.90.3000119.6
296Q41.9Very low38.3Very low134 Ų134147.3 Ų147.363%0.62679%0.786SS**  trans90.1107149.9-55.8-71.5-11.600121.3
297Q40.9Very low38.5Very low168 Ų168147.6 Ų147.679%0.78579%0.788SS**  trans83.1123.9137.9-64.7173.533.700120.7
298P40.2Very low38.6Very low132 Ų132148.6 Ų148.686%0.85779%0.793SS**  trans-104.8130.3173.536.9-29.4000114
299S41.2Very low38.5Very low114 Ų114148.4 Ų148.480%0.79780%0.798SS**  trans-153.7101.7160.146.50000108.7
300N36.2Very low38.4Very low151 Ų151144.9 Ų144.981%0.80779%0.794SS**  7277.673.9-171.332.8000114.4
301Y37Very low38.4Very low226 Ų226142.3 Ų142.389%0.88680%0.798SS**  trans-149.6156.8134.3-139.7-101.9000112
302G38.6Very low38.1Very low56 Ų56136.2 Ų136.258%0.57778%0.783SS**  trans-91.1179.3-165.200000116.9
303P43.5Very low38.1Very low134 Ų134143.8 Ų143.887%0.8779%0.792SS**  trans-85.3153.1-170.934.6-36.3000113.9
304M42Very low38.3Very low190 Ų190142.9 Ų142.994%0.93679%0.787SS**  trans-126.8133165.2-73.5-166.7166.500112
305K36.4Very low38.5Very low206 Ų206140.8 Ų140.890%0.89679%0.787SS**  trans-89.1171.6170.2-82.3-179.7172.31780110.3
306S35.7Very low38.6Very low131 Ų131138.3 Ų138.392%0.91679%0.793SS**  trans85.2140.9171.1-148.90000114.4
307G37.9Very low38.6Very low63 Ų63135.5 Ų135.565%0.64980%0.8SS**  cis-1571626.300000114.9
308N34.8Very low38.8Very low146 Ų146133.4 Ų133.478%0.78180%0.8SS**  trans-77.2132.4177.7162.884.6000111.5
309F41.4Very low38.9Very low216 Ų216138.2 Ų138.295%0.94780%0.803SS**  trans-136.7109.4163.1-94.7-77.8000112.2
310G35Very low39Very low64 Ų64136.4 Ų136.466%0.6680%0.803SS**  trans-145.5141.1161.500000109.3
311G35.4Very low39.3Very low77 Ų77133 Ų13379%0.79480%0.804SS**  trans108.6127.5163.400000117.8
312S35.2Very low39.5Very low96 Ų96125.7 Ų125.767%0.67180%0.797SS**  trans74.8123.9148.4-92.10000122.1
313R38.9Very low39.7Very low225 Ų225129.5 Ų129.585%0.84980%0.804SS**  trans88.4102.4132.3-64.7163.9-157.4-154.2-0.9120.7
314N37.5Very low39.9Very low126 Ų126133.1 Ų133.167%0.67480%0.802SS**  81.4113.4109.2-168.240.8000120.3
315M39.7Very low39.9Very low168 Ų168127.4 Ų127.483%0.82879%0.792SS**  172.4139.5114.5-92.7-59-166.900113.5
316G40.8Very low40.7Very low82 Ų82124.3 Ų124.385%0.84579%0.793SS**  trans77.2133.3158.200000118.5
317G41.5Very low41Very low74 Ų74122.1 Ų122.176%0.76379%0.791SS**  cis-173.6163.4-8.500000112
318P46.3Very low41.1Very low124 Ų124122.7 Ų122.781%0.80580%0.796SS**  trans-128.8117-159.535.1-16.3000118.2
319Y42.7Very low41.6Very low233 Ų233122.3 Ų122.391%0.91481%0.806SS**  trans-170.4166.7154.246.4-100.2000109.1
320G41.7Very low41.8Very low77 Ų77115.9 Ų115.979%0.79480%0.8SS**  cis137139.71.500000110.1
321G43.6Very low42Very low80 Ų80116.5 Ų116.583%0.82581%0.807SS**  cis-175.7-169.43.900000111.5
322G42.1Very low42.7Very low72 Ų72118.9 Ų118.974%0.74281%0.811SS**  trans92.9135.7-174.300000112.9
323N41.8Very low43.2Very low136 Ų136118 Ų11873%0.72782%0.817SS**  cis67.1132.824.5-136.22.5000112
324Y47.9Very low43.5Very low209 Ų209110 Ų11082%0.8281%0.805SS**  cis-139.7-174.418.8-31-99.8000109.2
325G41.9Very low44.1Very low71 Ų71114.7 Ų114.773%0.73282%0.815SS**  cis-179172.41.100000110.2
326P52.3Low44.4Very low141 Ų141110.9 Ų110.992%0.91682%0.818SS**  trans-110.9157.2-161.639.8-34.2000118.4
327G42.1Very low44.8Very low85 Ų85110.3 Ų110.388%0.87681%0.813SS**  trans137.4147.9166.500000113.4
328G41.3Very low45.2Very low74 Ų74119 Ų11976%0.76382%0.822SS**  cis173.2167.2-7.400000112.4
329S45.1Very low45.5Very low139 Ų139117.1 Ų117.197%0.97281%0.812SS**  trans43.5129.3161.8-160.10000121.7
330G44.7Very low46Very low81 Ų81116.5 Ų116.584%0.83581%0.808SS**  trans17290.6162.800000114.3
331G40.5Very low46.8Very low77 Ų77127.3 Ų127.379%0.79483%0.827SS**  trans-142.5122.3-178.900000115.2
332S49.7Very low46.9Very low126 Ų126129.7 Ų129.788%0.88183%0.827SS**  trans-178.1135.3160.940.40000105.7
333G44.8Very low47.2Very low78 Ų78132.7 Ų132.780%0.80483%0.832SS**  86.1121.769.600000109.7
334G44.6Very low47.5Very low58 Ų58132.5 Ų132.560%0.59884%0.838SS**  cis174.8-155.51.200000110.3
335Y51Low47.5Very low223 Ų223128 Ų12888%0.87584%0.839SS**  trans53.3115.1163.361.3-93.5000121.4
336G46.3Very low47.8Very low88 Ų88131.6 Ų131.691%0.90785%0.845SS**  trans73.6147144.300000119.2
337G49Very low47.5Very low70 Ų70130.9 Ų130.972%0.72284%0.841SS**  cis135.3134.9-500000112.6
338R49.5Very low47.9Very low257 Ų257134.2 Ų134.297%0.9784%0.838SS**  trans70160.1-173.7-66.6-179.5171.4-173.8-2115.4
339S52.1Low48.4Very low85 Ų85138.8 Ų138.859%0.59484%0.844SS**  cis177.7126.6-30.3167.60000109
340R54Low48.7Very low219 Ų219138.8 Ų138.883%0.82683%0.833SS**  trans54.4123.6161.2-60.1174.3-161.6-169.62.8117.4
341Y58Low49Very low304 Ų304144.1 Ų144.1100%1.19283%0.833SS**  -133080.7-94.9-82.6000109.5

Retrieved 341 of 341 residues in 80.9 ms (Link to these results)