A0A087Y371_POEFO Loading...

SH3 domain-binding glutamic acid-rich-like protein 3

Could act as a modulator of glutaredoxin biological activity. May play a role in cytoskeleton organization.

AlphaFold DB , UniProt , Accession A0A087Y371, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 93 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
1A52Low90.4Very high122 Ų12256 Ų56100%1.00834%0.335SS*.  0119.1000000105.9T3A1-T3 PolarHBondContact O-N 3.2Å; A1-T3 PolarHBondContact O-OG1 3.32Å
2M71.8Confident90.9Very high126 Ų12656.2 Ų56.262%0.62134%0.336SS*.  trans-54.2127.6-176.6-71173.6173.900109.9
3T88.1Confident91.3Very high57 Ų5760.2 Ų60.235%0.3538%0.379SS..  trans-123.3116.4-176.9-61.10000108.4A1 K5 E36 E67A1-T3 PolarHBondContact O-N 3.2Å; A1-T3 PolarHBondContact O-OG1 3.32Å; T3-K5 PolarHBondContact O-N 3.09Å; T3-E36 HydrophobicContact CG2-CB 4.25Å; T3-E67 PolarHBondContact O-N 3.37Å; T3-E67 VanDerWaalsContact O-N 3.11Å
4V97.3Very high91.8Very high1 Ų159.3 Ų59.31%0.00638%0.376CS..EExtended strand (participates in β ladder)trans-69.1125.8172.7176.70000108.1V6 I33 Y35 E36 F65 L90 L92V4-V6 HydrophobicContact CG1-CG2 4.17Å; V4-I33 HydrophobicContact CG2-CG2 4.28Å; V4-Y35 CarbonylContact O-C 3.6Å; V4-Y35 WeakPolarHBondContact O-CA 3.41Å; V4-E36 PolarHBondContact O-N 2.92Å; V4-F65 CarbonylContact C-O 3.55Å; V4-F65 WeakPolarHBondContact CA-O 3.44Å; V4-L90 HydrophobicContact CG1-CD1 4.45Å; V4-L90 HydrophobicContact CG1-CD2 3.89Å; V4-L90 HydrophobicContact CG2-CB 4.21Å; V4-L90 HydrophobicContact CG2-CD1 4.26Å; V4-L92 HydrophobicContact CG2-CD1 4.27Å; V4-L92 HydrophobicContact CG2-CD2 3.93Å; V4-L92 HydrophobicContact CG2-CG 4.35Å
5K97.9Very high92.2Very high53 Ų5370.2 Ų70.223%0.2341%0.407CS..EExtended strand (participates in β ladder)trans-108.9127.7173.7-70.3170.9174.3-1780108.6T3 E36 I38 F65T3-K5 PolarHBondContact O-N 3.09Å; K5-E36 WeakPolarHBondContact CA-O 3.38Å; K5-E36 HydrophobicContact CG-CB 4.42Å; K5-I38 HydrophobicContact CB-CD1 3.87Å; K5-I38 HydrophobicContact CD-CD1 3.83Å; K5-I38 HydrophobicContact CG-CD1 3.95Å; K5-F65 HydrophobicContact CB-CB 4.31Å; K5-F65 PolarHBondContact N-O 3.22Å; K5-F65 PolarHBondContact O-N 2.82Å
6V98.4Very high92.6Very high3 Ų371.3 Ų71.32%0.01842%0.415CS..EExtended strand (participates in β ladder)trans-114.4108.3175-175.50000107.6V4 Y8 V24 L28 E36 L37 I38 P62 Q63 F64V4-V6 HydrophobicContact CG1-CG2 4.17Å; V6-Y8 PolarHBondContact O-N 3.11Å; V6-V24 HydrophobicContact CG1-CG1 4.19Å; V6-L28 HydrophobicContact CG2-CD1 3.88Å; V6-E36 PolarHBondContact N-O 3.01Å; V6-L37 HydrophobicContact CB-CD2 4.07Å; V6-L37 HydrophobicContact CG1-CD2 4.35Å; V6-L37 WeakPolarHBondContact O-CA 3.44Å; V6-I38 PolarHBondContact O-N 3.36Å; V6-P62 HydrophobicContact CG1-CB 4.15Å; V6-Q63 WeakPolarHBondContact CA-O 3.43Å; V6-F64 HydrophobicContact CG1-CD1 4.45Å; V6-F64 HydrophobicContact CG1-CE1 4.28Å; V6-F64 HydrophobicContact CG2-CD1 3.77Å; V6-F64 HydrophobicContact CG2-CE1 3.92Å
7Y98.4Very high92.9Very high2 Ų268 Ų681%0.00840%0.396CS..EExtended strand (participates in β ladder)trans-69.2124.2167.3-79.9-88.2000108.8I38 I40 L46 E49 M50 P62 Q63 F65Y7-I38 WeakPolarHBondContact CA-O 3.41Å; Y7-I38 HydrophobicContact CD1-CB 3.86Å; Y7-I38 HydrophobicContact CD1-CG2 3.7Å; Y7-I38 HydrophobicContact CD2-CD1 4.46Å; Y7-I38 HydrophobicContact CE1-CB 3.95Å; Y7-I38 HydrophobicContact CE1-CD1 4.26Å; Y7-I38 HydrophobicContact CE1-CG2 3.41Å; Y7-I38 VanDerWaalsContact CE1-CG2 3.41Å; Y7-I38 HydrophobicContact CE2-CD1 3.97Å; Y7-I38 HydrophobicContact CG-CB 4.29Å; Y7-I40 HydrophobicContact CD1-CG2 3.61Å; Y7-I40 HydrophobicContact CE1-CG2 4.42Å; Y7-I40 HydrophobicContact CG-CG2 4.49Å; Y7-L46 WeakPolarHBondContact CE1-O 3.47Å; Y7-E49 PolarHBondContact OH-OE1 3.05Å; Y7-M50 HydrophobicContact CD1-CB 3.69Å; Y7-M50 HydrophobicContact CD1-CG 4.03Å; Y7-M50 HydrophobicContact CD1-SD 4.49Å; Y7-M50 HydrophobicContact CD2-CB 4.3Å; Y7-M50 HydrophobicContact CD2-CG 4.15Å; Y7-M50 HydrophobicContact CE1-CB 3.95Å; Y7-M50 HydrophobicContact CG-CB 3.85Å; Y7-M50 HydrophobicContact CG-CG 3.7Å; Y7-M50 HydrophobicContact CG-SD 4.24Å; Y7-P62 VanDerWaalsContact O-CA 3.28Å; Y7-P62 WeakPolarHBondContact O-CA 3.38Å; Y7-Q63 PolarHBondContact N-O 2.97Å; Y7-Q63 PolarHBondContact O-N 3.45Å; Y7-Q63 VanDerWaalsContact O-N 3.11Å; Y7-F65 AromaticContact CD2-CD2 3.52Å; Y7-F65 HydrophobicContact CD2-CD2 3.52Å; Y7-F65 AromaticContact CD2-CE2 3.43Å; Y7-F65 HydrophobicContact CD2-CE2 3.43Å; Y7-F65 VanDerWaalsContact CD2-CE2 3.43Å; Y7-F65 AromaticContact CE2-CD2 3.75Å; Y7-F65 HydrophobicContact CE2-CD2 3.75Å; Y7-F65 AromaticContact CE2-CE2 3.75Å; Y7-F65 HydrophobicContact CE2-CE2 3.75Å
8Y98.3Very high93.2Very high44 Ų4472.4 Ų72.417%0.17341%0.41CS..EExtended strand (participates in β ladder)trans-140.9179.3-177.791-65.7000109.5V6 T10 L37 I38 D39 I40V6-Y8 PolarHBondContact O-N 3.11Å; Y8-T10 HydrophobicContact CE2-CG2 3.52Å; Y8-T10 WeakPolarHBondContact OH-CG2 3.42Å; Y8-L37 HydrophobicContact CD1-CB 3.71Å; Y8-L37 HydrophobicContact CD1-CD2 4.01Å; Y8-L37 HydrophobicContact CD1-CG 4.35Å; Y8-L37 HydrophobicContact CE1-CB 3.52Å; Y8-L37 HydrophobicContact CE1-CG 4.39Å; Y8-L37 HydrophobicContact CG-CD2 4.08Å; Y8-I38 WeakPolarHBondContact CD1-O 3.45Å; Y8-I38 PolarHBondContact N-O 3.48Å; Y8-I38 VanDerWaalsContact O-O 3.13Å; Y8-D39 HydrophobicContact CD1-CB 4.2Å; Y8-D39 VanDerWaalsContact CE1-CA 3.49Å; Y8-D39 HydrophobicContact CE1-CB 3.44Å; Y8-D39 VanDerWaalsContact CE1-CB 3.44Å; Y8-D39 WeakPolarHBondContact O-CA 3.43Å; Y8-I40 WeakPolarHBondContact O-CG1 3.47Å; Y8-I40 PolarHBondContact O-N 3.17Å
9T98.3Very high93.5Very high11 Ų1172.7 Ų72.77%0.06742%0.417CS..  trans-135.3137.9169.9-1780000112.4V11 T12 V17 Q21 D39 P61T9-V11 PolarHBondContact OG1-N 2.9Å; T9-V11 PolarHBondContact OG1-O 3.24Å; T9-T12 HydrophobicContact CG2-CG2 3.92Å; T9-V17 HydrophobicContact CG2-CG1 3.9Å; T9-Q21 PolarHBondContact O-NE2 3.46Å; T9-D39 WeakPolarHBondContact CA-OD1 3.42Å; T9-P61 HydrophobicContact CG2-CG 3.81Å
10T97.6Very high93.7Very high87 Ų8771.1 Ų71.153%0.53441%0.406SS..SBendtrans-83-20.1165.858.20000112.8Y8 D39 S41Y8-T10 HydrophobicContact CE2-CG2 3.52Å; Y8-T10 WeakPolarHBondContact OH-CG2 3.42Å; T10-D39 VanDerWaalsContact CB-OD2 3.28Å; T10-D39 WeakPolarHBondContact CB-OD2 3.47Å; T10-D39 WeakPolarHBondContact CG2-OD2 3.36Å; T10-D39 PolarHBondContact N-OD1 2.87Å; T10-D39 PolarHBondContact N-OD2 3.45Å; T10-D39 PolarHBondContact OG1-OD2 3.14Å; T10-S41 PolarHBondContact OG1-OG 2.93Å
11V96.6Very high94Very high110 Ų11068.5 Ų68.567%0.66739%0.39SS*.  trans-111.3103.3-178.4-175.50000109.8T9T9-V11 PolarHBondContact OG1-N 2.9Å; T9-V11 PolarHBondContact OG1-O 3.24Å
12T95.9Very high96.2Very high58 Ų5865.5 Ų65.536%0.35637%0.365SS..  trans-155.2140.2173.5-176.10000111.8T9 S14 V17 K18T9-T12 HydrophobicContact CG2-CG2 3.92Å; T12-S14 WeakPolarHBondContact OG1-CB 3.2Å; T12-S14 PolarHBondContact OG1-N 2.85Å; T12-V17 HydrophobicContact CG2-CB 4.37Å; T12-V17 HydrophobicContact CG2-CG1 4.05Å; T12-K18 HydrophobicContact CG2-CB 4.47Å
13A96.8Very high97.5Very high108 Ų10862.4 Ų62.489%0.89335%0.349SS*.  trans-89.7-8.1167.700000112.3R15A13-R15 PolarHBondContact O-N 2.84Å
14S97.9Very high98Very high48 Ų4859.7 Ų59.734%0.33633%0.333SS..  trans-76.8113.8179.5177.10000110.5T12 T16 V17 K18T12-S14 WeakPolarHBondContact OG1-CB 3.2Å; T12-S14 PolarHBondContact OG1-N 2.85Å; S14-T16 PolarHBondContact O-N 2.73Å; S14-V17 PolarHBondContact O-N 3.4Å; S14-V17 PolarHBondContact OG-N 3.33Å; S14-K18 PolarHBondContact O-N 2.97Å; S14-K18 VanDerWaalsContact O-N 3.12Å
15R97.9Very high98Very high223 Ų22361.8 Ų61.884%0.84234%0.343SS*.Hα-helixtrans-61.2-36.9174-66.8-177.5180-177.1-0.2111.6A13 K18 S19A13-R15 PolarHBondContact O-N 2.84Å; R15-K18 PolarHBondContact O-N 3.32Å; R15-S19 WeakPolarHBondContact O-CB 3.32Å; R15-S19 PolarHBondContact O-N 2.91Å
16T98.1Very high98Very high87 Ų8767.4 Ų67.453%0.53436%0.363SS..Hα-helixtrans-61.4-53.4178.2-53.30000110.9S14 K18 S19 Q20S14-T16 PolarHBondContact O-N 2.73Å; T16-K18 VanDerWaalsContact C-N 3.29Å; T16-K18 PolarHBondContact O-N 3.47Å; T16-S19 PolarHBondContact O-N 3.36Å; T16-S19 VanDerWaalsContact O-N 3.13Å; T16-Q20 HydrophobicContact CG2-CG 4.35Å; T16-Q20 WeakPolarHBondContact O-CB 3.49Å; T16-Q20 VanDerWaalsContact O-CG 3.3Å; T16-Q20 WeakPolarHBondContact O-CG 3.49Å; T16-Q20 PolarHBondContact O-N 2.94Å
17V98.2Very high98.1Very high16 Ų1667.7 Ų67.710%0.09737%0.365CS..Hα-helixtrans-57.5-45.1178.1171.10000110.8T9 T12 S14 S19 Q20 Q21 P61T9-V17 HydrophobicContact CG2-CG1 3.9Å; T12-V17 HydrophobicContact CG2-CB 4.37Å; T12-V17 HydrophobicContact CG2-CG1 4.05Å; S14-V17 PolarHBondContact O-N 3.4Å; S14-V17 PolarHBondContact OG-N 3.33Å; V17-S19 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 2.9Å; V17-Q20 PolarHBondContact O-N 3.08Å; V17-Q21 HydrophobicContact CG1-CG 4.32Å; V17-Q21 WeakPolarHBondContact O-CB 3.34Å; V17-Q21 VanDerWaalsContact O-CG 3.27Å; V17-Q21 WeakPolarHBondContact O-CG 3.21Å; V17-Q21 PolarHBondContact O-N 3.01Å; V17-P61 HydrophobicContact CG1-CG 3.92Å
18K98.3Very high98Very high148 Ų14867.6 Ų67.664%0.64337%0.365SS*.Hα-helixtrans-59.8-44178.5-173.3175.8-178.9176.40112.2T12 S14 R15 T16 A22T12-K18 HydrophobicContact CG2-CB 4.47Å; S14-K18 PolarHBondContact O-N 2.97Å; S14-K18 VanDerWaalsContact O-N 3.12Å; R15-K18 PolarHBondContact O-N 3.32Å; T16-K18 VanDerWaalsContact C-N 3.29Å; T16-K18 PolarHBondContact O-N 3.47Å; K18-A22 WeakPolarHBondContact O-CB 3.44Å; K18-A22 PolarHBondContact O-N 3.39Å
19S98.4Very high98Very high78 Ų7871.1 Ų71.155%0.54538%0.383SS..Hα-helixtrans-66.2-47.2179.2-166.90000111.7R15 T16 V17 Q21 A22 E23R15-S19 WeakPolarHBondContact O-CB 3.32Å; R15-S19 PolarHBondContact O-N 2.91Å; T16-S19 PolarHBondContact O-N 3.36Å; T16-S19 VanDerWaalsContact O-N 3.13Å; V17-S19 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 2.9Å; S19-Q21 PolarHBondContact O-N 3.2Å; S19-A22 PolarHBondContact O-N 3.48Å; S19-E23 PolarHBondContact O-N 2.79Å
20Q98.7Very high98Very high40 Ų4074.9 Ų74.919%0.18741%0.41CS..Hα-helixtrans-59.7-48179.4-71.1177.6-2200111.2T16 V17 A22 E23 V24 P62 Y74T16-Q20 HydrophobicContact CG2-CG 4.35Å; T16-Q20 WeakPolarHBondContact O-CB 3.49Å; T16-Q20 VanDerWaalsContact O-CG 3.3Å; T16-Q20 WeakPolarHBondContact O-CG 3.49Å; T16-Q20 PolarHBondContact O-N 2.94Å; V17-Q20 PolarHBondContact O-N 3.08Å; Q20-A22 VanDerWaalsContact C-N 3.34Å; Q20-A22 PolarHBondContact O-N 3.43Å; Q20-E23 PolarHBondContact O-N 3.17Å; Q20-V24 VanDerWaalsContact O-CG2 3.28Å; Q20-V24 WeakPolarHBondContact O-CG2 3.4Å; Q20-V24 PolarHBondContact O-N 2.71Å; Q20-P62 HydrophobicContact CB-CG 4.3Å; Q20-Y74 HydrophobicContact CB-CD1 4.42Å; Q20-Y74 HydrophobicContact CB-CD2 3.57Å; Q20-Y74 HydrophobicContact CB-CE2 3.75Å; Q20-Y74 HydrophobicContact CB-CG 3.91Å; Q20-Y74 VanDerWaalsContact CD-CD1 3.48Å; Q20-Y74 HydrophobicContact CG-CD1 3.69Å; Q20-Y74 HydrophobicContact CG-CD2 3.72Å; Q20-Y74 HydrophobicContact CG-CE1 3.69Å; Q20-Y74 HydrophobicContact CG-CE2 3.71Å; Q20-Y74 HydrophobicContact CG-CG 3.69Å
21Q98.6Very high97.9Very high17 Ų1774.1 Ų74.18%0.07940%0.399CS..Hα-helixtrans-61.3-40.5177.6-70.5175.8173.700112.9T9 V17 S19 E23 V24 I25 P62T9-Q21 PolarHBondContact O-NE2 3.46Å; V17-Q21 HydrophobicContact CG1-CG 4.32Å; V17-Q21 WeakPolarHBondContact O-CB 3.34Å; V17-Q21 VanDerWaalsContact O-CG 3.27Å; V17-Q21 WeakPolarHBondContact O-CG 3.21Å; V17-Q21 PolarHBondContact O-N 3.01Å; S19-Q21 PolarHBondContact O-N 3.2Å; Q21-E23 VanDerWaalsContact C-N 3.34Å; Q21-V24 PolarHBondContact O-N 2.71Å; Q21-I25 WeakPolarHBondContact O-CG1 3.34Å; Q21-I25 PolarHBondContact O-N 3.21Å; Q21-P62 HydrophobicContact CG-CB 4.35Å
22A98.5Very high97.9Very high59 Ų5974 Ų7449%0.48840%0.402SS..Hα-helixtrans-64.7-40178.200000111.7K18 S19 Q20 R26K18-A22 WeakPolarHBondContact O-CB 3.44Å; K18-A22 PolarHBondContact O-N 3.39Å; S19-A22 PolarHBondContact O-N 3.48Å; Q20-A22 VanDerWaalsContact C-N 3.34Å; Q20-A22 PolarHBondContact O-N 3.43Å; A22-R26 WeakPolarHBondContact O-CB 3.32Å; A22-R26 PolarHBondContact O-N 3.33Å; A22-R26 VanDerWaalsContact O-N 3.08Å
23E98.6Very high97.8Very high60 Ų6072 Ų7228%0.2839%0.39SS..Hα-helixtrans-65.4-45.8175.3179.5170.7-159.600112.2S19 Q20 Q21 I25 R26 V27 Y74S19-E23 PolarHBondContact O-N 2.79Å; Q20-E23 PolarHBondContact O-N 3.17Å; Q21-E23 VanDerWaalsContact C-N 3.34Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 3.09Å; E23-R26 WeakPolarHBondContact O-CB 3.39Å; E23-R26 PolarHBondContact O-N 3.1Å; E23-V27 HydrophobicContact CG-CG2 4.38Å; E23-V27 WeakPolarHBondContact O-CG2 3.17Å; E23-V27 PolarHBondContact O-N 2.65Å; E23-Y74 PolarHBondContact OE2-OH 3.41Å
24V98.6Very high97.8Very high1 Ų177.4 Ų77.41%0.00639%0.387CS..Hα-helixtrans-54.8-50.6176.5166.80000111V6 Q20 Q21 R26 V27 L28 P62 F64 Y74 F77V6-V24 HydrophobicContact CG1-CG1 4.19Å; Q20-V24 VanDerWaalsContact O-CG2 3.28Å; Q20-V24 WeakPolarHBondContact O-CG2 3.4Å; Q20-V24 PolarHBondContact O-N 2.71Å; Q21-V24 PolarHBondContact O-N 2.71Å; V24-R26 PolarHBondContact O-N 2.77Å; V24-V27 PolarHBondContact O-N 3.44Å; V24-L28 HydrophobicContact CG1-CD1 3.86Å; V24-L28 HydrophobicContact CG1-CG 4.35Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.22Å; V24-L28 PolarHBondContact O-N 2.8Å; V24-P62 HydrophobicContact CG2-CB 4.34Å; V24-P62 HydrophobicContact CG2-CG 3.83Å; V24-F64 HydrophobicContact CB-CZ 4.09Å; V24-F64 HydrophobicContact CG1-CE1 3.44Å; V24-F64 VanDerWaalsContact CG1-CE1 3.44Å; V24-F64 HydrophobicContact CG1-CZ 3.38Å; V24-F64 HydrophobicContact CG2-CE1 4.43Å; V24-F64 HydrophobicContact CG2-CE2 4.26Å; V24-F64 HydrophobicContact CG2-CZ 3.51Å; V24-Y74 HydrophobicContact CG2-CD2 4.01Å; V24-Y74 HydrophobicContact CG2-CE2 4.46Å; V24-F77 HydrophobicContact CB-CE1 4.35Å; V24-F77 HydrophobicContact CG2-CD1 3.88Å; V24-F77 HydrophobicContact CG2-CE1 3.86Å
25I98.5Very high97.7Very high45 Ų4578 Ų7823%0.23138%0.382CS..Hα-helixtrans-57.8-49.7178.1-72.1170.7000110.4Q21 E23 V27 L28 E29 L37Q21-I25 WeakPolarHBondContact O-CG1 3.34Å; Q21-I25 PolarHBondContact O-N 3.21Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 3.09Å; I25-V27 VanDerWaalsContact C-N 3.3Å; I25-V27 PolarHBondContact O-N 3.04Å; I25-L28 PolarHBondContact O-N 3.44Å; I25-E29 HydrophobicContact CG2-CG 4.33Å; I25-E29 WeakPolarHBondContact CG2-OE1 3.28Å; I25-E29 WeakPolarHBondContact O-CB 3.43Å; I25-E29 VanDerWaalsContact O-CG 3.31Å; I25-E29 WeakPolarHBondContact O-CG 3.46Å; I25-E29 PolarHBondContact O-N 2.91Å; I25-L37 HydrophobicContact CD1-CD1 4.24Å
26R98.6Very high97.7Very high170 Ų17071.9 Ų71.964%0.64236%0.363SS*.Hα-helixtrans-56.5-44.4179.5-173.4-174.977.5137.2-0.2112.1A22 E23 V24 S30A22-R26 WeakPolarHBondContact O-CB 3.32Å; A22-R26 PolarHBondContact O-N 3.33Å; A22-R26 VanDerWaalsContact O-N 3.08Å; E23-R26 WeakPolarHBondContact O-CB 3.39Å; E23-R26 PolarHBondContact O-N 3.1Å; V24-R26 PolarHBondContact O-N 2.77Å; R26-S30 WeakPolarHBondContact O-CB 3.27Å; R26-S30 PolarHBondContact O-N 3.36Å; R26-S30 PolarHBondContact O-OG 2.98Å
27V98.5Very high97.7Very high10 Ų1070.9 Ų70.96%0.06135%0.354CS..Hα-helixtrans-67-49-179.5170.60000110.9E23 V24 I25 E29 S30 K31 F77 V81E23-V27 HydrophobicContact CG-CG2 4.38Å; E23-V27 WeakPolarHBondContact O-CG2 3.17Å; E23-V27 PolarHBondContact O-N 2.65Å; V24-V27 PolarHBondContact O-N 3.44Å; I25-V27 VanDerWaalsContact C-N 3.3Å; I25-V27 PolarHBondContact O-N 3.04Å; V27-E29 VanDerWaalsContact C-N 3.31Å; V27-E29 PolarHBondContact O-N 2.98Å; V27-S30 PolarHBondContact O-N 3.27Å; V27-S30 PolarHBondContact O-OG 2.9Å; V27-K31 HydrophobicContact CG1-CD 4.42Å; V27-K31 PolarHBondContact O-N 3.47Å; V27-F77 HydrophobicContact CB-CE1 4.04Å; V27-F77 HydrophobicContact CB-CZ 3.76Å; V27-F77 HydrophobicContact CG1-CE1 4.06Å; V27-F77 HydrophobicContact CG1-CE2 4.42Å; V27-F77 HydrophobicContact CG1-CZ 3.49Å; V27-F77 VanDerWaalsContact CG1-CZ 3.49Å; V27-F77 HydrophobicContact CG2-CE1 4.31Å; V27-F77 HydrophobicContact CG2-CZ 4.49Å; V27-V81 HydrophobicContact CG1-CG2 3.75Å; V27-V81 HydrophobicContact CG2-CG2 4.26Å
28L97.9Very high97.6Very high0 Ų071.1 Ų71.10%036%0.355CS..Hα-helixtrans-59.9-42.8-179.8-66.9176.9000111.5V6 V24 I25 K31 S32 I33 Y35 F64 F77 L90V6-L28 HydrophobicContact CG2-CD1 3.88Å; V24-L28 HydrophobicContact CG1-CD1 3.86Å; V24-L28 HydrophobicContact CG1-CG 4.35Å; V24-L28 VanDerWaalsContact O-CG 3.31Å; V24-L28 WeakPolarHBondContact O-CG 3.22Å; V24-L28 PolarHBondContact O-N 2.8Å; I25-L28 PolarHBondContact O-N 3.44Å; L28-K31 PolarHBondContact O-N 3.48Å; L28-S32 PolarHBondContact O-N 2.88Å; L28-S32 VanDerWaalsContact O-N 3.16Å; L28-I33 HydrophobicContact CD2-CB 4.19Å; L28-I33 HydrophobicContact CD2-CD1 4.02Å; L28-I33 HydrophobicContact CD2-CG2 4.05Å; L28-I33 PolarHBondContact O-N 3.06Å; L28-Y35 HydrophobicContact CB-CD1 3.72Å; L28-Y35 HydrophobicContact CB-CE1 3.7Å; L28-Y35 HydrophobicContact CD1-CD1 3.75Å; L28-Y35 HydrophobicContact CD1-CD2 4.29Å; L28-Y35 HydrophobicContact CD1-CE1 4.2Å; L28-Y35 HydrophobicContact CD1-CG 3.82Å; L28-Y35 HydrophobicContact CG-CD1 4.34Å; L28-F64 HydrophobicContact CD1-CE1 4.46Å; L28-F77 HydrophobicContact CD2-CE2 4.12Å; L28-F77 HydrophobicContact CD2-CZ 4.4Å; L28-L90 HydrophobicContact CD2-CD1 3.67Å
29E97.5Very high97.6Very high118 Ų11865 Ų6555%0.55133%0.329SS*.Hα-helixtrans-62.6-45.4174.4-72.4177.7170.500112I25 V27 K31 S32 Y35I25-E29 HydrophobicContact CG2-CG 4.33Å; I25-E29 WeakPolarHBondContact CG2-OE1 3.28Å; I25-E29 WeakPolarHBondContact O-CB 3.43Å; I25-E29 VanDerWaalsContact O-CG 3.31Å; I25-E29 WeakPolarHBondContact O-CG 3.46Å; I25-E29 PolarHBondContact O-N 2.91Å; V27-E29 VanDerWaalsContact C-N 3.31Å; V27-E29 PolarHBondContact O-N 2.98Å; E29-K31 PolarHBondContact O-N 3.23Å; E29-S32 PolarHBondContact O-N 3.1Å; E29-Y35 HydrophobicContact CG-CE1 4.38Å; E29-Y35 PolarHBondContact OE1-OH 3.18Å
30S97.9Very high97.6Very high90 Ų9062.4 Ų62.463%0.62931%0.309SS*.Hα-helixtrans-61.3-31.3179.776.20000113.2R26 V27R26-S30 WeakPolarHBondContact O-CB 3.27Å; R26-S30 PolarHBondContact O-N 3.36Å; R26-S30 PolarHBondContact O-OG 2.98Å; V27-S30 PolarHBondContact O-N 3.27Å; V27-S30 PolarHBondContact O-OG 2.9Å
31K95.7Very high97.5Very high70 Ų7062.9 Ų62.930%0.30432%0.317SS..THydrogen-bonded Turntrans-912.8176.4-70.9-178.5173.9-77.90113.1V27 L28 E29 I33 D84 V86V27-K31 HydrophobicContact CG1-CD 4.42Å; V27-K31 PolarHBondContact O-N 3.47Å; L28-K31 PolarHBondContact O-N 3.48Å; E29-K31 PolarHBondContact O-N 3.23Å; K31-I33 HydrophobicContact CB-CD1 3.69Å; K31-I33 HydrophobicContact CB-CG1 3.94Å; K31-I33 HydrophobicContact CD-CD1 4.17Å; K31-I33 PolarHBondContact O-N 3.38Å; K31-D84 IonicContact NZ-OD1 2.71Å; K31-D84 PolarHBondContact NZ-OD1 2.71Å; K31-V86 HydrophobicContact CD-CB 3.96Å; K31-V86 HydrophobicContact CD-CG1 4.13Å; K31-V86 HydrophobicContact CD-CG2 4.16Å
32S95.9Very high97.3Very high107 Ų10767.7 Ų67.775%0.74835%0.347SS*.THydrogen-bonded Turntrans55.331.4-176.9-58.90000114.1L28 E29L28-S32 PolarHBondContact O-N 2.88Å; L28-S32 VanDerWaalsContact O-N 3.16Å; E29-S32 PolarHBondContact O-N 3.1Å
33I95.6Very high96.9Very high17 Ų1766.2 Ų66.29%0.08734%0.338CS..  trans-78.9130.7178-66.6163.8000108.3V4 L28 K31 Y35 V86 L90 L92V4-I33 HydrophobicContact CG2-CG2 4.28Å; L28-I33 HydrophobicContact CD2-CB 4.19Å; L28-I33 HydrophobicContact CD2-CD1 4.02Å; L28-I33 HydrophobicContact CD2-CG2 4.05Å; L28-I33 PolarHBondContact O-N 3.06Å; K31-I33 HydrophobicContact CB-CD1 3.69Å; K31-I33 HydrophobicContact CB-CG1 3.94Å; K31-I33 HydrophobicContact CD-CD1 4.17Å; K31-I33 PolarHBondContact O-N 3.38Å; I33-Y35 VanDerWaalsContact O-CD1 3.3Å; I33-Y35 WeakPolarHBondContact O-CD1 3.43Å; I33-V86 HydrophobicContact CD1-CG1 3.88Å; I33-L90 HydrophobicContact CD1-CD1 3.85Å; I33-L90 HydrophobicContact CG2-CD1 4.01Å; I33-L92 HydrophobicContact CG1-CD1 4.47Å; I33-L92 HydrophobicContact CG2-CD1 4.04Å
34R95.1Very high96.6Very high221 Ų22165.1 Ų65.183%0.83434%0.342SS*.  trans-80.9129.4173.4-77.3-172.9-88.7168.5-7.7110.1
35Y96.8Very high96.5Very high62 Ų6273.1 Ų73.124%0.24338%0.379CS..EExtended strand (participates in β ladder)trans-142.9159.9-179.962.7-87.8000112V4 L28 E29 I33 L37V4-Y35 CarbonylContact O-C 3.6Å; V4-Y35 WeakPolarHBondContact O-CA 3.41Å; L28-Y35 HydrophobicContact CB-CD1 3.72Å; L28-Y35 HydrophobicContact CB-CE1 3.7Å; L28-Y35 HydrophobicContact CD1-CD1 3.75Å; L28-Y35 HydrophobicContact CD1-CD2 4.29Å; L28-Y35 HydrophobicContact CD1-CE1 4.2Å; L28-Y35 HydrophobicContact CD1-CG 3.82Å; L28-Y35 HydrophobicContact CG-CD1 4.34Å; E29-Y35 HydrophobicContact CG-CE1 4.38Å; E29-Y35 PolarHBondContact OE1-OH 3.18Å; I33-Y35 VanDerWaalsContact O-CD1 3.3Å; I33-Y35 WeakPolarHBondContact O-CD1 3.43Å; Y35-L37 HydrophobicContact CD2-CD2 4.14Å; Y35-L37 HydrophobicContact CD2-CG 4Å; Y35-L37 HydrophobicContact CE2-CD1 4.09Å; Y35-L37 HydrophobicContact CE2-CD2 3.97Å; Y35-L37 HydrophobicContact CE2-CG 3.74Å
36E97.3Very high96.4Very high94 Ų9473.3 Ų73.344%0.43938%0.381SS..EExtended strand (participates in β ladder)trans-112.5136.5169.8-179-178-168.400109.1T3 V4 K5 V6 I38T3-E36 HydrophobicContact CG2-CB 4.25Å; V4-E36 PolarHBondContact O-N 2.92Å; K5-E36 WeakPolarHBondContact CA-O 3.38Å; K5-E36 HydrophobicContact CG-CB 4.42Å; V6-E36 PolarHBondContact N-O 3.01Å; E36-I38 HydrophobicContact CG-CG1 4.44Å
37L97.7Very high96.3Very high65 Ų6569.8 Ų69.834%0.3437%0.367SS..EExtended strand (participates in β ladder)trans-97.2122.6174.6-72.4174.4000110V6 Y8 I25 Y35V6-L37 HydrophobicContact CB-CD2 4.07Å; V6-L37 HydrophobicContact CG1-CD2 4.35Å; V6-L37 WeakPolarHBondContact O-CA 3.44Å; Y8-L37 HydrophobicContact CD1-CB 3.71Å; Y8-L37 HydrophobicContact CD1-CD2 4.01Å; Y8-L37 HydrophobicContact CD1-CG 4.35Å; Y8-L37 HydrophobicContact CE1-CB 3.52Å; Y8-L37 HydrophobicContact CE1-CG 4.39Å; Y8-L37 HydrophobicContact CG-CD2 4.08Å; I25-L37 HydrophobicContact CD1-CD1 4.24Å; Y35-L37 HydrophobicContact CD2-CD2 4.14Å; Y35-L37 HydrophobicContact CD2-CG 4Å; Y35-L37 HydrophobicContact CE2-CD1 4.09Å; Y35-L37 HydrophobicContact CE2-CD2 3.97Å; Y35-L37 HydrophobicContact CE2-CG 3.74Å
38I97.6Very high96.3Very high22 Ų2273.2 Ų73.211%0.11339%0.385CS..EExtended strand (participates in β ladder)trans-108.5107.2177.9-55.1177000108.7K5 V6 Y7 Y8 E36 I40 L46K5-I38 HydrophobicContact CB-CD1 3.87Å; K5-I38 HydrophobicContact CD-CD1 3.83Å; K5-I38 HydrophobicContact CG-CD1 3.95Å; V6-I38 PolarHBondContact O-N 3.36Å; Y7-I38 WeakPolarHBondContact CA-O 3.41Å; Y7-I38 HydrophobicContact CD1-CB 3.86Å; Y7-I38 HydrophobicContact CD1-CG2 3.7Å; Y7-I38 HydrophobicContact CD2-CD1 4.46Å; Y7-I38 HydrophobicContact CE1-CB 3.95Å; Y7-I38 HydrophobicContact CE1-CD1 4.26Å; Y7-I38 HydrophobicContact CE1-CG2 3.41Å; Y7-I38 VanDerWaalsContact CE1-CG2 3.41Å; Y7-I38 HydrophobicContact CE2-CD1 3.97Å; Y7-I38 HydrophobicContact CG-CB 4.29Å; Y8-I38 WeakPolarHBondContact CD1-O 3.45Å; Y8-I38 PolarHBondContact N-O 3.48Å; Y8-I38 VanDerWaalsContact O-O 3.13Å; E36-I38 HydrophobicContact CG-CG1 4.44Å; I38-I40 PolarHBondContact O-N 3.41Å; I38-L46 HydrophobicContact CG2-CD1 4.18Å; I38-L46 HydrophobicContact CG2-CD2 4.05Å
39D98.1Very high96.2Very high20 Ų2076.7 Ų76.711%0.10740%0.402CS..EExtended strand (participates in β ladder)trans-82.8107-175.4-169.6-11.6000111.7Y8 T9 T10 S41 V42 L46Y8-D39 HydrophobicContact CD1-CB 4.2Å; Y8-D39 VanDerWaalsContact CE1-CA 3.49Å; Y8-D39 HydrophobicContact CE1-CB 3.44Å; Y8-D39 VanDerWaalsContact CE1-CB 3.44Å; Y8-D39 WeakPolarHBondContact O-CA 3.43Å; T9-D39 WeakPolarHBondContact CA-OD1 3.42Å; T10-D39 VanDerWaalsContact CB-OD2 3.28Å; T10-D39 WeakPolarHBondContact CB-OD2 3.47Å; T10-D39 WeakPolarHBondContact CG2-OD2 3.36Å; T10-D39 PolarHBondContact N-OD1 2.87Å; T10-D39 PolarHBondContact N-OD2 3.45Å; T10-D39 PolarHBondContact OG1-OD2 3.14Å; D39-S41 PolarHBondContact O-N 3.15Å; D39-S41 VanDerWaalsContact OD1-CB 3.3Å; D39-S41 WeakPolarHBondContact OD1-CB 3.38Å; D39-S41 PolarHBondContact OD1-N 3.4Å; D39-S41 PolarHBondContact OD1-OG 3.31Å; D39-S41 PolarHBondContact OD2-OG 2.96Å; D39-S41 VanDerWaalsContact OD2-OG 3.1Å; D39-V42 HydrophobicContact CB-CG2 3.85Å; D39-V42 PolarHBondContact O-N 2.96Å; D39-L46 WeakPolarHBondContact O-CD1 3.5Å
40I97.9Very high96.2Very high23 Ų2371.1 Ų71.112%0.11838%0.376CS..THydrogen-bonded Turntrans-68.7-12.2179.568.1171000113.6Y7 Y8 I38 V42 L46 R47 M50 P61Y7-I40 HydrophobicContact CD1-CG2 3.61Å; Y7-I40 HydrophobicContact CE1-CG2 4.42Å; Y7-I40 HydrophobicContact CG-CG2 4.49Å; Y8-I40 WeakPolarHBondContact O-CG1 3.47Å; Y8-I40 PolarHBondContact O-N 3.17Å; I38-I40 PolarHBondContact O-N 3.41Å; I40-V42 VanDerWaalsContact C-N 3.29Å; I40-L46 HydrophobicContact CG2-CB 4.45Å; I40-R47 HydrophobicContact CB-CB 4.13Å; I40-R47 HydrophobicContact CD1-CB 4.47Å; I40-R47 HydrophobicContact CD1-CG 4.26Å; I40-M50 HydrophobicContact CD1-CE 4.39Å; I40-M50 HydrophobicContact CG2-SD 4.15Å; I40-P61 HydrophobicContact CD1-CG 3.81Å
41S96.4Very high96.2Very high50 Ų5070.6 Ų70.635%0.3536%0.36SS..THydrogen-bonded Turntrans-78.2-15.8176.770.80000113.3T10 D39 G43T10-S41 PolarHBondContact OG1-OG 2.93Å; D39-S41 PolarHBondContact O-N 3.15Å; D39-S41 VanDerWaalsContact OD1-CB 3.3Å; D39-S41 WeakPolarHBondContact OD1-CB 3.38Å; D39-S41 PolarHBondContact OD1-N 3.4Å; D39-S41 PolarHBondContact OD1-OG 3.31Å; D39-S41 PolarHBondContact OD2-OG 2.96Å; D39-S41 VanDerWaalsContact OD2-OG 3.1Å; S41-G43 VanDerWaalsContact C-N 3.33Å
42V94.8Very high96.3Very high117 Ų11771.9 Ų71.971%0.70938%0.378SS*.SBendtrans-70.3-30.3179.3175.80000111.7D39 I40 L46D39-V42 HydrophobicContact CB-CG2 3.85Å; D39-V42 PolarHBondContact O-N 2.96Å; I40-V42 VanDerWaalsContact C-N 3.29Å; V42-L46 HydrophobicContact CB-CD1 4.43Å
43G90.3Very high96.3Very high29 Ų2969.8 Ų69.830%0.29936%0.355SS..  trans-165.8144.8178.400000113.1S41 E45 L46S41-G43 VanDerWaalsContact C-N 3.33Å; G43-E45 PolarHBondContact O-N 3.45Å; G43-L46 PolarHBondContact O-N 3.46Å
44G92Very high96.4Very high36 Ų3669.8 Ų69.837%0.37136%0.357SS..Hα-helixtrans-59.2-31.4-179.500000113.8L46 R47 D48G44-L46 VanDerWaalsContact C-N 3.31Å; G44-L46 PolarHBondContact O-N 2.79Å; G44-R47 WeakPolarHBondContact O-CB 3.36Å; G44-R47 PolarHBondContact O-N 2.89Å; G44-D48 VanDerWaalsContact O-CG 3.29Å; G44-D48 PolarHBondContact O-N 3.35Å
45E96.4Very high96.5Very high169 Ų16962.5 Ų62.579%0.7935%0.351SS*.Hα-helixtrans-60.7-37.1179.1-58179.2-167.800112.5G43 D48 E49G43-E45 PolarHBondContact O-N 3.45Å; E45-D48 PolarHBondContact O-N 2.96Å; E45-E49 WeakPolarHBondContact O-CB 3.3Å; E45-E49 PolarHBondContact O-N 3.28Å
46L97Very high96.5Very high49 Ų4962.5 Ų62.526%0.25736%0.355SS..Hα-helixtrans-69.2-36.2178.6-66.6176.1000112.1Y7 I38 D39 I40 V42 G43 G44 D48 M50Y7-L46 WeakPolarHBondContact CE1-O 3.47Å; I38-L46 HydrophobicContact CG2-CD1 4.18Å; I38-L46 HydrophobicContact CG2-CD2 4.05Å; D39-L46 WeakPolarHBondContact O-CD1 3.5Å; I40-L46 HydrophobicContact CG2-CB 4.45Å; V42-L46 HydrophobicContact CB-CD1 4.43Å; G43-L46 PolarHBondContact O-N 3.46Å; G44-L46 VanDerWaalsContact C-N 3.31Å; G44-L46 PolarHBondContact O-N 2.79Å; L46-D48 VanDerWaalsContact C-N 3.34Å; L46-M50 WeakPolarHBondContact O-CB 3.49Å; L46-M50 PolarHBondContact O-N 3.11Å
47R96.4Very high96.5Very high97 Ų9762.9 Ų62.937%0.36637%0.366SS..Hα-helixtrans-65.6-42.1173.2-177.2-169.366-141.5-7.7110.7I40 G44 M50 R51I40-R47 HydrophobicContact CB-CB 4.13Å; I40-R47 HydrophobicContact CD1-CB 4.47Å; I40-R47 HydrophobicContact CD1-CG 4.26Å; G44-R47 WeakPolarHBondContact O-CB 3.36Å; G44-R47 PolarHBondContact O-N 2.89Å; R47-M50 PolarHBondContact O-N 2.94Å; R47-R51 WeakPolarHBondContact O-CG 3.41Å; R47-R51 PolarHBondContact O-N 3.4Å
48D97.3Very high96.4Very high81 Ų8164.9 Ų64.943%0.43338%0.381SS..Hα-helixtrans-71.8-36.8-178.5-61.8-13.2000110.7G44 E45 L46 R51 S52G44-D48 VanDerWaalsContact O-CG 3.29Å; G44-D48 PolarHBondContact O-N 3.35Å; E45-D48 PolarHBondContact O-N 2.96Å; L46-D48 VanDerWaalsContact C-N 3.34Å; D48-R51 PolarHBondContact O-N 2.84Å; D48-S52 VanDerWaalsContact O-CB 3.32Å; D48-S52 WeakPolarHBondContact O-CB 3.4Å; D48-S52 PolarHBondContact O-N 3.24Å
49E96.5Very high96.4Very high74 Ų7464.1 Ų64.135%0.34638%0.378SS..Hα-helixtrans-58.9-51.9169.1-177.6-178.8146.600111.1Y7 E45 R51 S52 K53Y7-E49 PolarHBondContact OH-OE1 3.05Å; E45-E49 WeakPolarHBondContact O-CB 3.3Å; E45-E49 PolarHBondContact O-N 3.28Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 2.84Å; E49-S52 PolarHBondContact O-N 2.93Å; E49-K53 HydrophobicContact CG-CD 3.86Å; E49-K53 HydrophobicContact CG-CG 4.19Å; E49-K53 WeakPolarHBondContact O-CB 3.48Å; E49-K53 WeakPolarHBondContact O-CG 3.34Å; E49-K53 PolarHBondContact O-N 3.38Å; E49-K53 WeakPolarHBondContact OE1-CE 3.22Å; E49-K53 IonicContact OE1-NZ 2.71Å; E49-K53 PolarHBondContact OE1-NZ 2.86Å
50M97.8Very high96.3Very high1 Ų165.7 Ų65.71%0.00539%0.394CS..Hα-helixtrans-53.3-49177.9-179.8-163.770.500111.4Y7 I40 L46 R47 K53 A54 A59 Q63Y7-M50 HydrophobicContact CD1-CB 3.69Å; Y7-M50 HydrophobicContact CD1-CG 4.03Å; Y7-M50 HydrophobicContact CD1-SD 4.49Å; Y7-M50 HydrophobicContact CD2-CB 4.3Å; Y7-M50 HydrophobicContact CD2-CG 4.15Å; Y7-M50 HydrophobicContact CE1-CB 3.95Å; Y7-M50 HydrophobicContact CG-CB 3.85Å; Y7-M50 HydrophobicContact CG-CG 3.7Å; Y7-M50 HydrophobicContact CG-SD 4.24Å; I40-M50 HydrophobicContact CD1-CE 4.39Å; I40-M50 HydrophobicContact CG2-SD 4.15Å; L46-M50 WeakPolarHBondContact O-CB 3.49Å; L46-M50 PolarHBondContact O-N 3.11Å; R47-M50 PolarHBondContact O-N 2.94Å; M50-K53 PolarHBondContact O-N 3.25Å; M50-A54 VanDerWaalsContact O-CB 3.22Å; M50-A54 WeakPolarHBondContact O-CB 3.45Å; M50-A54 PolarHBondContact O-N 2.79Å; M50-A59 HydrophobicContact CE-CB 4.14Å; M50-A59 WeakPolarHBondContact CE-O 3.44Å; M50-Q63 HydrophobicContact CE-CG 4.43Å; M50-Q63 HydrophobicContact CG-CB 3.83Å; M50-Q63 HydrophobicContact CG-CG 3.76Å; M50-Q63 HydrophobicContact SD-CB 4.04Å; M50-Q63 HydrophobicContact SD-CG 3.59Å; M50-Q63 VanDerWaalsContact SD-CG 3.59Å
51R98.1Very high96.3Very high78 Ų7865.1 Ų65.129%0.29439%0.392SS..Hα-helixtrans-64.3-44.4179.4-75.7167.7172.4-177.2-7.4112.5R47 D48 E49 A54 G55 D56 P57 A59R47-R51 WeakPolarHBondContact O-CG 3.41Å; R47-R51 PolarHBondContact O-N 3.4Å; D48-R51 PolarHBondContact O-N 2.84Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 2.84Å; R51-A54 PolarHBondContact O-N 3.39Å; R51-G55 PolarHBondContact O-N 3.16Å; R51-D56 WeakPolarHBondContact CA-O 3.34Å; R51-D56 WeakPolarHBondContact CB-O 3.33Å; R51-D56 WeakPolarHBondContact CG-O 3.45Å; R51-D56 PolarHBondContact O-N 2.97Å; R51-D56 VanDerWaalsContact O-N 3.09Å; R51-P57 WeakPolarHBondContact CD-O 3.31Å; R51-P57 PolarHBondContact NE-O 2.97Å; R51-P57 VanDerWaalsContact NE-O 3.16Å; R51-A59 HydrophobicContact CG-CB 4.09Å
52S97.6Very high96.4Very high97 Ų9762.8 Ų62.868%0.67838%0.375SS*.Hα-helixtrans-62.7-45.1177.6-173.70000111.3D48 E49 G55D48-S52 VanDerWaalsContact O-CB 3.32Å; D48-S52 WeakPolarHBondContact O-CB 3.4Å; D48-S52 PolarHBondContact O-N 3.24Å; E49-S52 PolarHBondContact O-N 2.93Å; S52-G55 PolarHBondContact O-N 3.17Å
53K96.3Very high96.6Very high64 Ų6457.7 Ų57.728%0.27834%0.343SS..Hα-helixtrans-71.1-32-179.9-70.4-174.9164.2177.90112.7E49 M50 F65 D68E49-K53 HydrophobicContact CG-CD 3.86Å; E49-K53 HydrophobicContact CG-CG 4.19Å; E49-K53 WeakPolarHBondContact O-CB 3.48Å; E49-K53 WeakPolarHBondContact O-CG 3.34Å; E49-K53 PolarHBondContact O-N 3.38Å; E49-K53 WeakPolarHBondContact OE1-CE 3.22Å; E49-K53 IonicContact OE1-NZ 2.71Å; E49-K53 PolarHBondContact OE1-NZ 2.86Å; M50-K53 PolarHBondContact O-N 3.25Å; K53-F65 HydrophobicContact CB-CD1 4.31Å; K53-F65 HydrophobicContact CB-CE1 3.36Å; K53-F65 HydrophobicContact CB-CZ 3.63Å; K53-F65 HydrophobicContact CD-CD1 4.49Å; K53-F65 HydrophobicContact CD-CE1 4.25Å; K53-F65 HydrophobicContact CG-CE1 4.42Å; K53-D68 IonicContact NZ-OD1 2.71Å; K53-D68 PolarHBondContact NZ-OD1 3.23Å
54A96.9Very high97Very high16 Ų1656.3 Ų56.313%0.13233%0.329CS..Hα-helixtrans-74.4-15.1172.500000113M50 R51 D56 A59 Y70M50-A54 VanDerWaalsContact O-CB 3.22Å; M50-A54 WeakPolarHBondContact O-CB 3.45Å; M50-A54 PolarHBondContact O-N 2.79Å; R51-A54 PolarHBondContact O-N 3.39Å; A54-D56 PolarHBondContact O-N 3.13Å; A54-A59 HydrophobicContact CB-CB 4.17Å; A54-Y70 HydrophobicContact CB-CD2 4.36Å; A54-Y70 HydrophobicContact CB-CE2 3.91Å
55G97.1Very high97.3Very high68 Ų6854.6 Ų54.670%0.70131%0.312SS*.THydrogen-bonded Turntrans68.417.8-173.500000113.6R51 S52R51-G55 PolarHBondContact O-N 3.16Å; S52-G55 PolarHBondContact O-N 3.17Å
56D97Very high97.3Very high63 Ų6347 Ų4734%0.33728%0.276SS..  trans-132.1110.5-177.2173.710.6000110.3R51 A54 T58 A59R51-D56 WeakPolarHBondContact CA-O 3.34Å; R51-D56 WeakPolarHBondContact CB-O 3.33Å; R51-D56 WeakPolarHBondContact CG-O 3.45Å; R51-D56 PolarHBondContact O-N 2.97Å; R51-D56 VanDerWaalsContact O-N 3.09Å; A54-D56 PolarHBondContact O-N 3.13Å; D56-T58 PolarHBondContact O-N 3.46Å; D56-T58 VanDerWaalsContact O-N 3.13Å; D56-T58 WeakPolarHBondContact OD1-CA 3.32Å; D56-T58 WeakPolarHBondContact OD1-CB 3.38Å; D56-T58 PolarHBondContact OD1-N 2.83Å; D56-T58 PolarHBondContact OD1-OG1 3.45Å; D56-T58 PolarHBondContact OD2-OG1 3.32Å; D56-A59 HydrophobicContact CB-CB 4.11Å; D56-A59 WeakPolarHBondContact O-CB 3.28Å; D56-A59 PolarHBondContact O-N 2.7Å; D56-A59 VanDerWaalsContact O-N 3.15Å; D56-A59 PolarHBondContact OD1-N 3.15Å; D56-A59 PolarHBondContact OD2-N 3.14Å
57P96.3Very high97Very high101 Ų10149.2 Ų49.266%0.65629%0.286SS*.THydrogen-bonded Turntrans-66.7-13179.929.1-35.1000113.5R51R51-P57 WeakPolarHBondContact CD-O 3.31Å; R51-P57 PolarHBondContact NE-O 2.97Å; R51-P57 VanDerWaalsContact NE-O 3.16Å
58T96Very high96.7Very high108 Ų10850 Ų5066%0.66330%0.297SS*.THydrogen-bonded Turntrans-103.80179.167.80000113.4D56 A60D56-T58 PolarHBondContact O-N 3.46Å; D56-T58 VanDerWaalsContact O-N 3.13Å; D56-T58 WeakPolarHBondContact OD1-CA 3.32Å; D56-T58 WeakPolarHBondContact OD1-CB 3.38Å; D56-T58 PolarHBondContact OD1-N 2.83Å; D56-T58 PolarHBondContact OD1-OG1 3.45Å; D56-T58 PolarHBondContact OD2-OG1 3.32Å; T58-A60 PolarHBondContact O-N 3.27Å
59A97.4Very high96.6Very high5 Ų551.7 Ų51.74%0.04130%0.302CS..  trans-50.6133.8-178.400000111.5M50 R51 A54 D56 Q63M50-A59 HydrophobicContact CE-CB 4.14Å; M50-A59 WeakPolarHBondContact CE-O 3.44Å; R51-A59 HydrophobicContact CG-CB 4.09Å; A54-A59 HydrophobicContact CB-CB 4.17Å; D56-A59 HydrophobicContact CB-CB 4.11Å; D56-A59 WeakPolarHBondContact O-CB 3.28Å; D56-A59 PolarHBondContact O-N 2.7Å; D56-A59 VanDerWaalsContact O-N 3.15Å; D56-A59 PolarHBondContact OD1-N 3.15Å; D56-A59 PolarHBondContact OD2-N 3.14Å; A59-Q63 HydrophobicContact CB-CG 4.47Å
60A97.1Very high96.6Very high54 Ų5451.5 Ų51.545%0.44630%0.299SS..  trans-117.8148.417600000109.5T58 Q63T58-A60 PolarHBondContact O-N 3.27Å; A60-Q63 PolarHBondContact O-NE2 3.06Å
61P98Very high96.6Very high11 Ų1152.3 Ų52.37%0.07131%0.305CS..SBendtrans-64.5151.4175.226.4-33.4000111.6T9 V17 I40T9-P61 HydrophobicContact CG2-CG 3.81Å; V17-P61 HydrophobicContact CG1-CG 3.92Å; I40-P61 HydrophobicContact CD1-CG 3.81Å
62P98.5Very high96.6Very high1 Ų148.6 Ų48.61%0.00629%0.29CS..  cis-81.8146.12.231.6-33.1000113.8V6 Y7 Q20 Q21 V24 F64 Y74V6-P62 HydrophobicContact CG1-CB 4.15Å; Y7-P62 VanDerWaalsContact O-CA 3.28Å; Y7-P62 WeakPolarHBondContact O-CA 3.38Å; Q20-P62 HydrophobicContact CB-CG 4.3Å; Q21-P62 HydrophobicContact CG-CB 4.35Å; V24-P62 HydrophobicContact CG2-CB 4.34Å; V24-P62 HydrophobicContact CG2-CG 3.83Å; P62-F64 HydrophobicContact CB-CE2 4.33Å; P62-F64 HydrophobicContact CG-CE2 4.42Å; P62-Y74 HydrophobicContact CG-CD2 4.21Å; P62-Y74 HydrophobicContact CG-CG 4.48Å
63Q98.8Very high96.7Very high9 Ų945.9 Ų45.94%0.04227%0.268CS..EExtended strand (participates in β ladder)trans-130.2135173.3-62.2-65.6-33.500110.4V6 Y7 M50 A59 A60 F65 Y70V6-Q63 WeakPolarHBondContact CA-O 3.43Å; Y7-Q63 PolarHBondContact N-O 2.97Å; Y7-Q63 PolarHBondContact O-N 3.45Å; Y7-Q63 VanDerWaalsContact O-N 3.11Å; M50-Q63 HydrophobicContact CE-CG 4.43Å; M50-Q63 HydrophobicContact CG-CB 3.83Å; M50-Q63 HydrophobicContact CG-CG 3.76Å; M50-Q63 HydrophobicContact SD-CB 4.04Å; M50-Q63 HydrophobicContact SD-CG 3.59Å; M50-Q63 VanDerWaalsContact SD-CG 3.59Å; A59-Q63 HydrophobicContact CB-CG 4.47Å; A60-Q63 PolarHBondContact O-NE2 3.06Å; Q63-F65 HydrophobicContact CB-CE2 3.95Å; Q63-Y70 VanDerWaalsContact OE1-CE2 3.31Å; Q63-Y70 PolarHBondContact OE1-OH 2.93Å
64F98.7Very high96.8Very high0 Ų044.8 Ų44.80%026%0.263CS..EExtended strand (participates in β ladder)trans-110.5136.8-169.7-62-96000112.2V6 V24 L28 P62 Y70 C71 G72 F77 F89 L90V6-F64 HydrophobicContact CG1-CD1 4.45Å; V6-F64 HydrophobicContact CG1-CE1 4.28Å; V6-F64 HydrophobicContact CG2-CD1 3.77Å; V6-F64 HydrophobicContact CG2-CE1 3.92Å; V24-F64 HydrophobicContact CB-CZ 4.09Å; V24-F64 HydrophobicContact CG1-CE1 3.44Å; V24-F64 VanDerWaalsContact CG1-CE1 3.44Å; V24-F64 HydrophobicContact CG1-CZ 3.38Å; V24-F64 HydrophobicContact CG2-CE1 4.43Å; V24-F64 HydrophobicContact CG2-CE2 4.26Å; V24-F64 HydrophobicContact CG2-CZ 3.51Å; L28-F64 HydrophobicContact CD1-CE1 4.46Å; P62-F64 HydrophobicContact CB-CE2 4.33Å; P62-F64 HydrophobicContact CG-CE2 4.42Å; F64-Y70 WeakPolarHBondContact O-CD2 3.44Å; F64-C71 HydrophobicContact CB-CB 3.81Å; F64-C71 WeakPolarHBondContact O-CB 3.36Å; F64-C71 PolarHBondContact O-N 3.49Å; F64-G72 WeakPolarHBondContact CD2-O 3.49Å; F64-G72 PolarHBondContact N-O 2.72Å; F64-G72 PolarHBondContact O-N 3.47Å; F64-F77 HydrophobicContact CD1-CD2 4.49Å; F64-F77 HydrophobicContact CD2-CB 4.3Å; F64-F77 AromaticContact CE1-CD2 3.78Å; F64-F77 HydrophobicContact CE1-CD2 3.78Å; F64-F77 AromaticContact CE1-CE2 3.97Å; F64-F77 HydrophobicContact CE1-CE2 3.97Å; F64-F77 HydrophobicContact CE1-CG 4.23Å; F64-F77 HydrophobicContact CE2-CB 3.59Å; F64-F77 HydrophobicContact CE2-CD2 4.13Å; F64-F77 AromaticContact CE2-CG 3.85Å; F64-F77 HydrophobicContact CE2-CG 3.85Å; F64-F77 HydrophobicContact CZ-CB 3.82Å; F64-F77 HydrophobicContact CZ-CD1 4.02Å; F64-F77 AromaticContact CZ-CD2 3.55Å; F64-F77 HydrophobicContact CZ-CD2 3.55Å; F64-F77 HydrophobicContact CZ-CE1 4.45Å; F64-F77 HydrophobicContact CZ-CE2 4.03Å; F64-F77 AromaticContact CZ-CG 3.51Å; F64-F77 HydrophobicContact CZ-CG 3.51Å; F64-F77 HydrophobicContact CZ-CZ 4.44Å; F64-F89 HydrophobicContact CB-CE1 3.94Å; F64-F89 HydrophobicContact CB-CZ 4.1Å; F64-F89 HydrophobicContact CD1-CE1 4.18Å; F64-F89 AromaticContact CD2-CE1 3.89Å; F64-F89 HydrophobicContact CD2-CE1 3.89Å; F64-F89 AromaticContact CD2-CZ 3.86Å; F64-F89 HydrophobicContact CD2-CZ 3.86Å; F64-F89 HydrophobicContact CE2-CE1 4.38Å; F64-F89 HydrophobicContact CE2-CZ 4.48Å; F64-F89 AromaticContact CG-CE1 3.76Å; F64-F89 HydrophobicContact CG-CE1 3.76Å; F64-F89 HydrophobicContact CG-CZ 4.08Å; F64-L90 HydrophobicContact CB-CD2 4.31Å; F64-L90 HydrophobicContact CD1-CD2 3.8Å; F64-L90 HydrophobicContact CE1-CD2 4.49Å; F64-L90 HydrophobicContact CG-CD2 4.36Å
65F98Very high96.9Very high1 Ų150.3 Ų50.30%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-136.8147.6174.5-60.6-96.2000110V4 K5 Y7 K53 Q63 Q69 Y70V4-F65 CarbonylContact C-O 3.55Å; V4-F65 WeakPolarHBondContact CA-O 3.44Å; K5-F65 HydrophobicContact CB-CB 4.31Å; K5-F65 PolarHBondContact N-O 3.22Å; K5-F65 PolarHBondContact O-N 2.82Å; Y7-F65 AromaticContact CD2-CD2 3.52Å; Y7-F65 HydrophobicContact CD2-CD2 3.52Å; Y7-F65 AromaticContact CD2-CE2 3.43Å; Y7-F65 HydrophobicContact CD2-CE2 3.43Å; Y7-F65 VanDerWaalsContact CD2-CE2 3.43Å; Y7-F65 AromaticContact CE2-CD2 3.75Å; Y7-F65 HydrophobicContact CE2-CD2 3.75Å; Y7-F65 AromaticContact CE2-CE2 3.75Å; Y7-F65 HydrophobicContact CE2-CE2 3.75Å; K53-F65 HydrophobicContact CB-CD1 4.31Å; K53-F65 HydrophobicContact CB-CE1 3.36Å; K53-F65 HydrophobicContact CB-CZ 3.63Å; K53-F65 HydrophobicContact CD-CD1 4.49Å; K53-F65 HydrophobicContact CD-CE1 4.25Å; K53-F65 HydrophobicContact CG-CE1 4.42Å; Q63-F65 HydrophobicContact CB-CE2 3.95Å; F65-Q69 CarbonylContact C-O 3.52Å; F65-Q69 WeakPolarHBondContact CA-O 3.39Å; F65-Y70 VanDerWaalsContact CD1-CA 3.46Å; F65-Y70 HydrophobicContact CD1-CD2 4.09Å; F65-Y70 AromaticContact CE1-CD2 3.44Å; F65-Y70 HydrophobicContact CE1-CD2 3.44Å; F65-Y70 VanDerWaalsContact CE1-CD2 3.44Å; F65-Y70 HydrophobicContact CE1-CE2 4.48Å; F65-Y70 AromaticContact CE1-CG 3.99Å; F65-Y70 HydrophobicContact CE1-CG 3.99Å; F65-Y70 HydrophobicContact CE2-CD2 4.15Å; F65-Y70 AromaticContact CZ-CD2 3.5Å; F65-Y70 HydrophobicContact CZ-CD2 3.5Å; F65-Y70 VanDerWaalsContact CZ-CD2 3.5Å; F65-Y70 HydrophobicContact CZ-CE2 4.13Å; F65-Y70 HydrophobicContact CZ-CG 4.42Å
66N96.3Very high97Very high9 Ų951.2 Ų51.25%0.04827%0.273CS..EExtended strand (participates in β ladder)trans-108.1109160.9-174-3.3000107.2D68 Q69 C71 L90 K91N66-D68 PolarHBondContact O-N 2.89Å; N66-D68 VanDerWaalsContact O-N 3.09Å; N66-Q69 PolarHBondContact N-O 3.06Å; N66-Q69 WeakPolarHBondContact O-CB 3.42Å; N66-Q69 PolarHBondContact O-N 3.17Å; N66-C71 PolarHBondContact N-SG 3.21Å; N66-C71 VanDerWaalsContact N-SG 3.36Å; N66-L90 WeakPolarHBondContact CB-O 3.39Å; N66-L90 PolarHBondContact ND2-O 3.37Å; N66-K91 HydrophobicContact CB-CB 4.4Å; N66-K91 PolarHBondContact ND2-O 3.21Å
67E90Very high97Very high96 Ų9648.3 Ų48.345%0.44926%0.257SS..THydrogen-bonded Turntrans55.8-107.6-165.8-58-177.2160.400111.7T3T3-E67 PolarHBondContact O-N 3.37Å; T3-E67 VanDerWaalsContact O-N 3.11Å
68D90.4Very high97.2Very high112 Ų11244.7 Ų44.760%0.59923%0.234SC*.THydrogen-bonded Turntrans-106.70.6176.1-70.1-46.3000112.9K53 N66K53-D68 IonicContact NZ-OD1 2.71Å; K53-D68 PolarHBondContact NZ-OD1 3.23Å; N66-D68 PolarHBondContact O-N 2.89Å; N66-D68 VanDerWaalsContact O-N 3.09Å
69Q94.9Very high97.3Very high118 Ų11845.7 Ų45.755%0.55123%0.232SC*.EExtended strand (participates in β ladder)trans-86.5120.1178.8-58.7-167.615.600110.6F65 N66 C71 K91F65-Q69 CarbonylContact C-O 3.52Å; F65-Q69 WeakPolarHBondContact CA-O 3.39Å; N66-Q69 PolarHBondContact N-O 3.06Å; N66-Q69 WeakPolarHBondContact O-CB 3.42Å; N66-Q69 PolarHBondContact O-N 3.17Å; Q69-C71 PolarHBondContact O-N 3.16Å; Q69-K91 HydrophobicContact CB-CD 4.27Å
70Y97.6Very high97.3Very high70 Ų7045.7 Ų45.728%0.27523%0.232SC..EExtended strand (participates in β ladder)trans-62.5129.8172.9-176-125.8000111A54 Q63 F64 F65 G72 N73 K91A54-Y70 HydrophobicContact CB-CD2 4.36Å; A54-Y70 HydrophobicContact CB-CE2 3.91Å; Q63-Y70 VanDerWaalsContact OE1-CE2 3.31Å; Q63-Y70 PolarHBondContact OE1-OH 2.93Å; F64-Y70 WeakPolarHBondContact O-CD2 3.44Å; F65-Y70 VanDerWaalsContact CD1-CA 3.46Å; F65-Y70 HydrophobicContact CD1-CD2 4.09Å; F65-Y70 AromaticContact CE1-CD2 3.44Å; F65-Y70 HydrophobicContact CE1-CD2 3.44Å; F65-Y70 VanDerWaalsContact CE1-CD2 3.44Å; F65-Y70 HydrophobicContact CE1-CE2 4.48Å; F65-Y70 AromaticContact CE1-CG 3.99Å; F65-Y70 HydrophobicContact CE1-CG 3.99Å; F65-Y70 HydrophobicContact CE2-CD2 4.15Å; F65-Y70 AromaticContact CZ-CD2 3.5Å; F65-Y70 HydrophobicContact CZ-CD2 3.5Å; F65-Y70 VanDerWaalsContact CZ-CD2 3.5Å; F65-Y70 HydrophobicContact CZ-CE2 4.13Å; F65-Y70 HydrophobicContact CZ-CG 4.42Å; Y70-G72 WeakPolarHBondContact CE2-O 3.31Å; Y70-G72 VanDerWaalsContact CZ-CA 3.41Å; Y70-G72 VanDerWaalsContact OH-C 3.26Å; Y70-N73 PolarHBondContact OH-N 3.31Å; Y70-K91 WeakPolarHBondContact O-CE 3.15Å; Y70-K91 PolarHBondContact O-NZ 3.45Å
71C98.3Very high97.4Very high18 Ų1845.4 Ų45.412%0.12222%0.224CC..EExtended strand (participates in β ladder)trans-99.5-45.3176.7-63.60000110.8F64 N66 Q69 F89F64-C71 HydrophobicContact CB-CB 3.81Å; F64-C71 WeakPolarHBondContact O-CB 3.36Å; F64-C71 PolarHBondContact O-N 3.49Å; N66-C71 PolarHBondContact N-SG 3.21Å; N66-C71 VanDerWaalsContact N-SG 3.36Å; Q69-C71 PolarHBondContact O-N 3.16Å; C71-F89 HydrophobicContact CB-CE1 4.25Å; C71-F89 HydrophobicContact CB-CZ 4.21Å; C71-F89 VanDerWaalsContact CB-O 3.28Å; C71-F89 WeakPolarHBondContact CB-O 3.28Å; C71-F89 WeakPolarHBondContact O-CE2 3.38Å
72G98.5Very high97.4Very high0 Ų052.7 Ų52.70%026%0.257CS..EExtended strand (participates in β ladder)trans157.1-174177.400000113.7F64 Y70F64-G72 WeakPolarHBondContact CD2-O 3.49Å; F64-G72 PolarHBondContact N-O 2.72Å; F64-G72 PolarHBondContact O-N 3.47Å; Y70-G72 WeakPolarHBondContact CE2-O 3.31Å; Y70-G72 VanDerWaalsContact CZ-CA 3.41Å; Y70-G72 VanDerWaalsContact OH-C 3.26Å
73N98.6Very high97.4Very high39 Ų3955.6 Ų55.621%0.20928%0.281CS..EExtended strand (participates in β ladder)trans-97.1-172.5175.767.311.7000110.9Y70 E75 M76 F77Y70-N73 PolarHBondContact OH-N 3.31Å; N73-E75 PolarHBondContact OD1-N 3.35Å; N73-E75 VanDerWaalsContact OD1-N 3.1Å; N73-M76 WeakPolarHBondContact OD1-CG 3.49Å; N73-M76 PolarHBondContact OD1-N 2.97Å; N73-F77 PolarHBondContact O-N 3.29Å; N73-F77 VanDerWaalsContact O-N 3.14Å
74Y98.7Very high97.3Very high42 Ų4260.7 Ų60.717%0.16531%0.309CS..Hα-helixtrans-59.9-42.4176.1174.1-98000114.1Q20 E23 V24 P62 M76 F77 S78Q20-Y74 HydrophobicContact CB-CD1 4.42Å; Q20-Y74 HydrophobicContact CB-CD2 3.57Å; Q20-Y74 HydrophobicContact CB-CE2 3.75Å; Q20-Y74 HydrophobicContact CB-CG 3.91Å; Q20-Y74 VanDerWaalsContact CD-CD1 3.48Å; Q20-Y74 HydrophobicContact CG-CD1 3.69Å; Q20-Y74 HydrophobicContact CG-CD2 3.72Å; Q20-Y74 HydrophobicContact CG-CE1 3.69Å; Q20-Y74 HydrophobicContact CG-CE2 3.71Å; Q20-Y74 HydrophobicContact CG-CG 3.69Å; E23-Y74 PolarHBondContact OE2-OH 3.41Å; V24-Y74 HydrophobicContact CG2-CD2 4.01Å; V24-Y74 HydrophobicContact CG2-CE2 4.46Å; P62-Y74 HydrophobicContact CG-CD2 4.21Å; P62-Y74 HydrophobicContact CG-CG 4.48Å; Y74-M76 PolarHBondContact O-N 2.94Å; Y74-F77 WeakPolarHBondContact O-CB 3.46Å; Y74-F77 PolarHBondContact O-N 3.2Å; Y74-S78 PolarHBondContact O-N 3.49Å
75E98.5Very high97.3Very high131 Ų13162.7 Ų62.761%0.61232%0.321SS*.Hα-helixtrans-61.9-47.6-175.9-67.8173.6175.800110.5N73 F77 S78 E79N73-E75 PolarHBondContact OD1-N 3.35Å; N73-E75 VanDerWaalsContact OD1-N 3.1Å; E75-F77 VanDerWaalsContact C-N 3.31Å; E75-F77 PolarHBondContact O-N 3.26Å; E75-S78 WeakPolarHBondContact O-CB 3.41Å; E75-S78 PolarHBondContact O-N 3.05Å; E75-S78 VanDerWaalsContact O-N 3.15Å; E75-E79 WeakPolarHBondContact O-CG 3.27Å; E75-E79 PolarHBondContact O-N 3.42Å
76M98.7Very high97.3Very high87 Ų8762.7 Ų62.743%0.42932%0.321SS..Hα-helixtrans-62.4-37.3175.4-62.4172.3177.700112.3N73 Y74 A80 F89N73-M76 WeakPolarHBondContact OD1-CG 3.49Å; N73-M76 PolarHBondContact OD1-N 2.97Å; Y74-M76 PolarHBondContact O-N 2.94Å; M76-A80 WeakPolarHBondContact O-CB 3.45Å; M76-A80 PolarHBondContact O-N 2.92Å; M76-F89 HydrophobicContact CB-CD2 4.25Å; M76-F89 HydrophobicContact CB-CE2 3.55Å; M76-F89 HydrophobicContact CB-CZ 4.36Å
77F98.8Very high97.3Very high2 Ų267.4 Ų67.41%0.00934%0.343CS..Hα-helixtrans-65.2-42.8174.2176.9-97000111.6V24 V27 L28 F64 N73 Y74 E75 A80 V81 V86 F89V24-F77 HydrophobicContact CB-CE1 4.35Å; V24-F77 HydrophobicContact CG2-CD1 3.88Å; V24-F77 HydrophobicContact CG2-CE1 3.86Å; V27-F77 HydrophobicContact CB-CE1 4.04Å; V27-F77 HydrophobicContact CB-CZ 3.76Å; V27-F77 HydrophobicContact CG1-CE1 4.06Å; V27-F77 HydrophobicContact CG1-CE2 4.42Å; V27-F77 HydrophobicContact CG1-CZ 3.49Å; V27-F77 VanDerWaalsContact CG1-CZ 3.49Å; V27-F77 HydrophobicContact CG2-CE1 4.31Å; V27-F77 HydrophobicContact CG2-CZ 4.49Å; L28-F77 HydrophobicContact CD2-CE2 4.12Å; L28-F77 HydrophobicContact CD2-CZ 4.4Å; F64-F77 HydrophobicContact CD1-CD2 4.49Å; F64-F77 HydrophobicContact CD2-CB 4.3Å; F64-F77 AromaticContact CE1-CD2 3.78Å; F64-F77 HydrophobicContact CE1-CD2 3.78Å; F64-F77 AromaticContact CE1-CE2 3.97Å; F64-F77 HydrophobicContact CE1-CE2 3.97Å; F64-F77 HydrophobicContact CE1-CG 4.23Å; F64-F77 HydrophobicContact CE2-CB 3.59Å; F64-F77 HydrophobicContact CE2-CD2 4.13Å; F64-F77 AromaticContact CE2-CG 3.85Å; F64-F77 HydrophobicContact CE2-CG 3.85Å; F64-F77 HydrophobicContact CZ-CB 3.82Å; F64-F77 HydrophobicContact CZ-CD1 4.02Å; F64-F77 AromaticContact CZ-CD2 3.55Å; F64-F77 HydrophobicContact CZ-CD2 3.55Å; F64-F77 HydrophobicContact CZ-CE1 4.45Å; F64-F77 HydrophobicContact CZ-CE2 4.03Å; F64-F77 AromaticContact CZ-CG 3.51Å; F64-F77 HydrophobicContact CZ-CG 3.51Å; F64-F77 HydrophobicContact CZ-CZ 4.44Å; N73-F77 PolarHBondContact O-N 3.29Å; N73-F77 VanDerWaalsContact O-N 3.14Å; Y74-F77 WeakPolarHBondContact O-CB 3.46Å; Y74-F77 PolarHBondContact O-N 3.2Å; E75-F77 VanDerWaalsContact C-N 3.31Å; E75-F77 PolarHBondContact O-N 3.26Å; F77-A80 CarbonylContact O-C 3.59Å; F77-A80 WeakPolarHBondContact O-CB 3.48Å; F77-A80 PolarHBondContact O-N 2.55Å; F77-V81 HydrophobicContact CD1-CG2 4.06Å; F77-V81 HydrophobicContact CE1-CG2 3.7Å; F77-V81 HydrophobicContact CZ-CG2 3.97Å; F77-V81 WeakPolarHBondContact O-CG2 3.3Å; F77-V81 PolarHBondContact O-N 2.62Å; F77-V86 HydrophobicContact CE2-CG1 3.83Å; F77-F89 HydrophobicContact CB-CD1 4.42Å; F77-F89 HydrophobicContact CB-CE1 3.79Å; F77-F89 HydrophobicContact CB-CZ 3.87Å; F77-F89 AromaticContact CD2-CD1 3.82Å; F77-F89 HydrophobicContact CD2-CD1 3.82Å; F77-F89 AromaticContact CD2-CE1 3.63Å; F77-F89 HydrophobicContact CD2-CE1 3.63Å; F77-F89 HydrophobicContact CG-CE1 4.21Å
78S98.6Very high97.6Very high26 Ų2669.1 Ų69.118%0.18235%0.351CS..Hα-helixtrans-61.2-44.8177.4-168.70000111.1Y74 E75 A80 V81 E82Y74-S78 PolarHBondContact O-N 3.49Å; E75-S78 WeakPolarHBondContact O-CB 3.41Å; E75-S78 PolarHBondContact O-N 3.05Å; E75-S78 VanDerWaalsContact O-N 3.15Å; S78-A80 VanDerWaalsContact C-N 3.3Å; S78-A80 PolarHBondContact O-N 3.1Å; S78-V81 WeakPolarHBondContact O-CB 3.3Å; S78-V81 PolarHBondContact O-N 3.25Å; S78-V81 VanDerWaalsContact O-N 3.14Å; S78-E82 WeakPolarHBondContact O-CG 3.28Å; S78-E82 PolarHBondContact O-N 3.02Å
79E98.8Very high98Very high129 Ų12965 Ų6560%0.60333%0.328SS*.Hα-helixtrans-58.7-42.6173.5-70.2173.6-17800111.5E75 V81 E82 A83E75-E79 WeakPolarHBondContact O-CG 3.27Å; E75-E79 PolarHBondContact O-N 3.42Å; E79-V81 VanDerWaalsContact C-N 3.32Å; E79-V81 PolarHBondContact O-N 2.89Å; E79-E82 PolarHBondContact O-N 3.08Å; E79-A83 WeakPolarHBondContact O-CB 3.09Å; E79-A83 PolarHBondContact O-N 3.4Å
80A98.6Very high98.1Very high5 Ų559.4 Ų59.44%0.04130%0.302CS..Hα-helixtrans-66.9-31.7176.600000113M76 F77 S78 D84 T85 V86 F89M76-A80 WeakPolarHBondContact O-CB 3.45Å; M76-A80 PolarHBondContact O-N 2.92Å; F77-A80 CarbonylContact O-C 3.59Å; F77-A80 WeakPolarHBondContact O-CB 3.48Å; F77-A80 PolarHBondContact O-N 2.55Å; S78-A80 VanDerWaalsContact C-N 3.3Å; S78-A80 PolarHBondContact O-N 3.1Å; A80-D84 CarbonylContact O-C 3.45Å; A80-D84 PolarHBondContact O-N 2.59Å; A80-D84 VanDerWaalsContact O-N 3.1Å; A80-T85 WeakPolarHBondContact CA-OG1 3.34Å; A80-T85 PolarHBondContact O-N 2.81Å; A80-T85 PolarHBondContact O-OG1 3.03Å; A80-V86 HydrophobicContact CB-CG2 4.5Å; A80-V86 PolarHBondContact O-N 3.17Å; A80-F89 HydrophobicContact CB-CB 3.54Å; A80-F89 HydrophobicContact CB-CD2 4.34Å; A80-F89 HydrophobicContact CB-CG 3.92Å
81V98.3Very high98.1Very high47 Ų4759.9 Ų59.929%0.28531%0.305SS..Hα-helixtrans-66.4-47.7172.2170.90000110.5V27 F77 S78 E79 A83 D84 V86V27-V81 HydrophobicContact CG1-CG2 3.75Å; V27-V81 HydrophobicContact CG2-CG2 4.26Å; F77-V81 HydrophobicContact CD1-CG2 4.06Å; F77-V81 HydrophobicContact CE1-CG2 3.7Å; F77-V81 HydrophobicContact CZ-CG2 3.97Å; F77-V81 WeakPolarHBondContact O-CG2 3.3Å; F77-V81 PolarHBondContact O-N 2.62Å; S78-V81 WeakPolarHBondContact O-CB 3.3Å; S78-V81 PolarHBondContact O-N 3.25Å; S78-V81 VanDerWaalsContact O-N 3.14Å; E79-V81 VanDerWaalsContact C-N 3.32Å; E79-V81 PolarHBondContact O-N 2.89Å; V81-A83 VanDerWaalsContact C-N 3.28Å; V81-A83 PolarHBondContact O-N 3.41Å; V81-D84 PolarHBondContact O-N 3.19Å; V81-D84 VanDerWaalsContact O-N 3.17Å; V81-V86 HydrophobicContact CB-CG2 4.33Å; V81-V86 HydrophobicContact CG2-CG2 3.62Å
82E98.3Very high97.8Very high164 Ų16462 Ų6277%0.76632%0.315SS*.Hα-helixtrans-62.5-36178.6-70.4-179.4-176.800112.3S78 E79S78-E82 WeakPolarHBondContact O-CG 3.28Å; S78-E82 PolarHBondContact O-N 3.02Å; E79-E82 PolarHBondContact O-N 3.08Å
83A98.3Very high96.6Very high63 Ų6368.6 Ų68.652%0.52137%0.369SS..THydrogen-bonded Turntrans-85.4-1.8177.800000114.4E79 V81 T85E79-A83 WeakPolarHBondContact O-CB 3.09Å; E79-A83 PolarHBondContact O-N 3.4Å; V81-A83 VanDerWaalsContact C-N 3.28Å; V81-A83 PolarHBondContact O-N 3.41Å; A83-T85 HydrophobicContact CB-CG2 4.24Å; A83-T85 PolarHBondContact O-N 3.05Å
84D96.9Very high96.5Very high116 Ų11670.1 Ų70.162%0.6238%0.377SS*.THydrogen-bonded Turntrans52.737.7-171.3-160.334000114.2K31 A80 V81K31-D84 IonicContact NZ-OD1 2.71Å; K31-D84 PolarHBondContact NZ-OD1 2.71Å; A80-D84 CarbonylContact O-C 3.45Å; A80-D84 PolarHBondContact O-N 2.59Å; A80-D84 VanDerWaalsContact O-N 3.1Å; V81-D84 PolarHBondContact O-N 3.19Å; V81-D84 VanDerWaalsContact O-N 3.17Å
85T97.9Very high96.3Very high42 Ų4271.5 Ų71.526%0.25839%0.389SS..  trans-115.322.1-178.353.40000113.2A80 A83 E87 Q88 F89A80-T85 WeakPolarHBondContact CA-OG1 3.34Å; A80-T85 PolarHBondContact O-N 2.81Å; A80-T85 PolarHBondContact O-OG1 3.03Å; A83-T85 HydrophobicContact CB-CG2 4.24Å; A83-T85 PolarHBondContact O-N 3.05Å; T85-E87 VanDerWaalsContact C-N 3.3Å; T85-E87 PolarHBondContact O-N 2.85Å; T85-Q88 WeakPolarHBondContact O-CB 3.18Å; T85-Q88 PolarHBondContact O-N 3.41Å; T85-F89 PolarHBondContact O-N 3.4Å
86V98Very high96.2Very high1 Ų168.2 Ų68.21%0.00638%0.376CS..Hα-helixtrans-53.7-41.4-177.1176.60000113.2K31 I33 F77 A80 V81 Q88 F89 L90K31-V86 HydrophobicContact CD-CB 3.96Å; K31-V86 HydrophobicContact CD-CG1 4.13Å; K31-V86 HydrophobicContact CD-CG2 4.16Å; I33-V86 HydrophobicContact CD1-CG1 3.88Å; F77-V86 HydrophobicContact CE2-CG1 3.83Å; A80-V86 HydrophobicContact CB-CG2 4.5Å; A80-V86 PolarHBondContact O-N 3.17Å; V81-V86 HydrophobicContact CB-CG2 4.33Å; V81-V86 HydrophobicContact CG2-CG2 3.62Å; V86-Q88 VanDerWaalsContact C-N 3.31Å; V86-Q88 PolarHBondContact O-N 3.12Å; V86-F89 WeakPolarHBondContact O-CB 3.44Å; V86-F89 PolarHBondContact O-N 3.41Å; V86-L90 HydrophobicContact CG1-CD1 3.82Å; V86-L90 HydrophobicContact CG1-CG 4.28Å; V86-L90 WeakPolarHBondContact O-CB 3.45Å; V86-L90 VanDerWaalsContact O-CG 3.27Å; V86-L90 WeakPolarHBondContact O-CG 3.44Å; V86-L90 PolarHBondContact O-N 3.27Å
87E96.3Very high96.1Very high107 Ų10767.1 Ų67.150%0.537%0.373SS..Hα-helixtrans-66.1-34.8179.2-68.9-177.5-158.700112.6T85 L90 K91 L92T85-E87 VanDerWaalsContact C-N 3.3Å; T85-E87 PolarHBondContact O-N 2.85Å; E87-L90 CarbonylContact O-C 3.52Å; E87-L90 PolarHBondContact O-N 3.32Å; E87-K91 PolarHBondContact O-N 2.9Å; E87-K91 VanDerWaalsContact O-N 3.08Å; E87-L92 HydrophobicContact CB-CB 4.43Å; E87-L92 PolarHBondContact O-N 3.41Å
88Q97.3Very high95.9Very high132 Ų13271.2 Ų71.262%0.61740%0.396SS*.Hα-helixtrans-71.3-43.4176.1-62164.25.300110.4T85 V86 L90 K91T85-Q88 WeakPolarHBondContact O-CB 3.18Å; T85-Q88 PolarHBondContact O-N 3.41Å; V86-Q88 VanDerWaalsContact C-N 3.31Å; V86-Q88 PolarHBondContact O-N 3.12Å; Q88-L90 VanDerWaalsContact C-N 3.28Å; Q88-L90 PolarHBondContact O-N 3.29Å; Q88-K91 PolarHBondContact O-N 3.13Å
89F98.1Very high95.7Very high27 Ų2774.2 Ų74.212%0.11841%0.41CS..Hα-helixtrans-55.5-44.6172.2168.7-97.7000111.6F64 C71 M76 F77 A80 T85 V86 K91F64-F89 HydrophobicContact CB-CE1 3.94Å; F64-F89 HydrophobicContact CB-CZ 4.1Å; F64-F89 HydrophobicContact CD1-CE1 4.18Å; F64-F89 AromaticContact CD2-CE1 3.89Å; F64-F89 HydrophobicContact CD2-CE1 3.89Å; F64-F89 AromaticContact CD2-CZ 3.86Å; F64-F89 HydrophobicContact CD2-CZ 3.86Å; F64-F89 HydrophobicContact CE2-CE1 4.38Å; F64-F89 HydrophobicContact CE2-CZ 4.48Å; F64-F89 AromaticContact CG-CE1 3.76Å; F64-F89 HydrophobicContact CG-CE1 3.76Å; F64-F89 HydrophobicContact CG-CZ 4.08Å; C71-F89 HydrophobicContact CB-CE1 4.25Å; C71-F89 HydrophobicContact CB-CZ 4.21Å; C71-F89 VanDerWaalsContact CB-O 3.28Å; C71-F89 WeakPolarHBondContact CB-O 3.28Å; C71-F89 WeakPolarHBondContact O-CE2 3.38Å; M76-F89 HydrophobicContact CB-CD2 4.25Å; M76-F89 HydrophobicContact CB-CE2 3.55Å; M76-F89 HydrophobicContact CB-CZ 4.36Å; F77-F89 HydrophobicContact CB-CD1 4.42Å; F77-F89 HydrophobicContact CB-CE1 3.79Å; F77-F89 HydrophobicContact CB-CZ 3.87Å; F77-F89 AromaticContact CD2-CD1 3.82Å; F77-F89 HydrophobicContact CD2-CD1 3.82Å; F77-F89 AromaticContact CD2-CE1 3.63Å; F77-F89 HydrophobicContact CD2-CE1 3.63Å; F77-F89 HydrophobicContact CG-CE1 4.21Å; A80-F89 HydrophobicContact CB-CB 3.54Å; A80-F89 HydrophobicContact CB-CD2 4.34Å; A80-F89 HydrophobicContact CB-CG 3.92Å; T85-F89 PolarHBondContact O-N 3.4Å; V86-F89 WeakPolarHBondContact O-CB 3.44Å; V86-F89 PolarHBondContact O-N 3.41Å; F89-K91 PolarHBondContact O-N 2.94Å
90L97.7Very high95.5Very high0 Ų070.3 Ų70.30%040%0.396CS..THydrogen-bonded Turntrans-78.81.5177.4-63.1176.1000113.8V4 L28 I33 F64 N66 V86 E87 Q88 L92V4-L90 HydrophobicContact CG1-CD1 4.45Å; V4-L90 HydrophobicContact CG1-CD2 3.89Å; V4-L90 HydrophobicContact CG2-CB 4.21Å; V4-L90 HydrophobicContact CG2-CD1 4.26Å; L28-L90 HydrophobicContact CD2-CD1 3.67Å; I33-L90 HydrophobicContact CD1-CD1 3.85Å; I33-L90 HydrophobicContact CG2-CD1 4.01Å; F64-L90 HydrophobicContact CB-CD2 4.31Å; F64-L90 HydrophobicContact CD1-CD2 3.8Å; F64-L90 HydrophobicContact CE1-CD2 4.49Å; F64-L90 HydrophobicContact CG-CD2 4.36Å; N66-L90 WeakPolarHBondContact CB-O 3.39Å; N66-L90 PolarHBondContact ND2-O 3.37Å; V86-L90 HydrophobicContact CG1-CD1 3.82Å; V86-L90 HydrophobicContact CG1-CG 4.28Å; V86-L90 WeakPolarHBondContact O-CB 3.45Å; V86-L90 VanDerWaalsContact O-CG 3.27Å; V86-L90 WeakPolarHBondContact O-CG 3.44Å; V86-L90 PolarHBondContact O-N 3.27Å; E87-L90 CarbonylContact O-C 3.52Å; E87-L90 PolarHBondContact O-N 3.32Å; Q88-L90 VanDerWaalsContact C-N 3.28Å; Q88-L90 PolarHBondContact O-N 3.29Å; L90-L92 VanDerWaalsContact C-N 3.28Å; L90-L92 HydrophobicContact CB-CD1 4.05Å; L90-L92 HydrophobicContact CB-CG 3.95Å; L90-L92 HydrophobicContact CD1-CD1 4.27Å; L90-L92 PolarHBondContact O-N 3.31Å
91K96.4Very high95.3Very high80 Ų8075.3 Ų75.335%0.34842%0.424SS..THydrogen-bonded Turntrans56.139.6179.1-54.6175.1173.9178.60113N66 Q69 Y70 E87 Q88 F89N66-K91 HydrophobicContact CB-CB 4.4Å; N66-K91 PolarHBondContact ND2-O 3.21Å; Q69-K91 HydrophobicContact CB-CD 4.27Å; Y70-K91 WeakPolarHBondContact O-CE 3.15Å; Y70-K91 PolarHBondContact O-NZ 3.45Å; E87-K91 PolarHBondContact O-N 2.9Å; E87-K91 VanDerWaalsContact O-N 3.08Å; Q88-K91 PolarHBondContact O-N 3.13Å; F89-K91 PolarHBondContact O-N 2.94Å
92L92.6Very high95Very high61 Ų6177.7 Ų77.732%0.31944%0.435SS..  trans-89.5-8.9178.8-65.6175.6000113.2V4 I33 E87 L90V4-L92 HydrophobicContact CG2-CD1 4.27Å; V4-L92 HydrophobicContact CG2-CD2 3.93Å; V4-L92 HydrophobicContact CG2-CG 4.35Å; I33-L92 HydrophobicContact CG1-CD1 4.47Å; I33-L92 HydrophobicContact CG2-CD1 4.04Å; E87-L92 HydrophobicContact CB-CB 4.43Å; E87-L92 PolarHBondContact O-N 3.41Å; L90-L92 VanDerWaalsContact C-N 3.28Å; L90-L92 HydrophobicContact CB-CD1 4.05Å; L90-L92 HydrophobicContact CB-CG 3.95Å; L90-L92 HydrophobicContact CD1-CD1 4.27Å; L90-L92 PolarHBondContact O-N 3.31Å
93A72.3Confident94.7Very high139 Ų13969.8 Ų69.8100%1.14941%0.405SS*.  trans-111.50-179.600000111.8

Retrieved 93 of 93 residues in 21.1 ms (Link to these results)

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