A0A096NFG6_PAPAN Loading...

Prostate and testis expressed 4

AlphaFold DB , UniProt , Accession A0A096NFG6, Species PAPAN (Papio anubis, Olive baboon), Gene PATE4, Length 98 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
1M55Low67.9Low203 Ų203126.9 Ų126.9100%163%0.632SS**  0-44.20-62.5-167.1-61.200114.3K3 M4 N5M1-K3 PolarHBondContact O-N 3Å; M1-M4 PolarHBondContact O-N 3.38Å; M1-N5 PolarHBondContact O-N 2.97Å
2R58.7Low68.3Low229 Ų229125.1 Ų125.186%0.86463%0.625SS**Hα-helixtrans-54-46.4179.2-100.5178.6174.3175.3-1.5115.3M4 N5 T6R2-M4 VanDerWaalsContact C-N 3.31Å; R2-M4 PolarHBondContact O-N 3.35Å; R2-N5 PolarHBondContact O-N 3.22Å; R2-T6 PolarHBondContact O-N 3.39Å; R2-T6 PolarHBondContact O-OG1 3.45Å
3K60.7Low68.5Low183 Ų183120.8 Ų120.880%0.79661%0.614SS**Hα-helixtrans-63.9-31.4-177.9-66.1-172.7177-176.90114M1 L7M1-K3 PolarHBondContact O-N 3Å; K3-L7 PolarHBondContact O-N 3.46Å; K3-L7 VanDerWaalsContact O-N 3.17Å
4M63.8Low68.2Low130 Ų130122.1 Ų122.164%0.6461%0.614SS**Hα-helixtrans-74.7-39.1-178.8-160.1163.773.700111.2M1 R2 L7 L8M1-M4 PolarHBondContact O-N 3.38Å; R2-M4 VanDerWaalsContact C-N 3.31Å; R2-M4 PolarHBondContact O-N 3.35Å; M4-L7 PolarHBondContact O-N 3.3Å; M4-L8 WeakPolarHBondContact O-CB 3.49Å; M4-L8 PolarHBondContact O-N 3.37Å
5N64.9Low67.9Low102 Ų102121.6 Ų121.655%0.54561%0.613SS.*Hα-helixtrans-64.7-37.3172.4-82.57.7000112.4M1 R2 L8 L9M1-N5 PolarHBondContact O-N 2.97Å; R2-N5 PolarHBondContact O-N 3.22Å; N5-L8 PolarHBondContact O-N 3.17Å; N5-L9 WeakPolarHBondContact O-CB 3.5Å; N5-L9 WeakPolarHBondContact O-CD1 3.38Å; N5-L9 WeakPolarHBondContact O-CG 3.32Å; N5-L9 PolarHBondContact O-N 3.42Å
6T72.3Confident67.3Low83 Ų83123.9 Ų123.951%0.50961%0.614SS.*Hα-helixtrans-65.7-42.3176.4-41.40000111.5R2 L9 V10R2-T6 PolarHBondContact O-N 3.39Å; R2-T6 PolarHBondContact O-OG1 3.45Å; T6-L9 PolarHBondContact O-N 2.73Å; T6-V10 WeakPolarHBondContact O-CB 3.46Å; T6-V10 VanDerWaalsContact O-CG2 3.24Å; T6-V10 WeakPolarHBondContact O-CG2 3.24Å; T6-V10 PolarHBondContact O-N 3.1Å
7L71.9Confident66.9Low129 Ų129122.8 Ų122.868%0.67561%0.61SS**Hα-helixtrans-62.5-44.2175.4-107.7139.8000112.1K3 M4 V10 S11K3-L7 PolarHBondContact O-N 3.46Å; K3-L7 VanDerWaalsContact O-N 3.17Å; M4-L7 PolarHBondContact O-N 3.3Å; L7-V10 PolarHBondContact O-N 3.39Å; L7-S11 WeakPolarHBondContact O-CB 3.44Å; L7-S11 PolarHBondContact O-N 2.93Å; L7-S11 PolarHBondContact O-OG 3.29Å; L7-S11 VanDerWaalsContact O-OG 3.1Å
8L76.3Confident66.2Low92 Ų92125.8 Ų125.848%0.48262%0.618SS.*Hα-helixtrans-58.9-48.7174.8-92.5152.4000112M4 N5 V10 S11 L12M4-L8 WeakPolarHBondContact O-CB 3.49Å; M4-L8 PolarHBondContact O-N 3.37Å; N5-L8 PolarHBondContact O-N 3.17Å; L8-V10 PolarHBondContact O-N 2.99Å; L8-S11 WeakPolarHBondContact CA-OG 3.49Å; L8-S11 PolarHBondContact O-N 2.97Å; L8-S11 PolarHBondContact O-OG 3.12Å; L8-L12 PolarHBondContact O-N 3.31Å
9L75.1Confident65.6Low118 Ų118127.2 Ų127.262%0.61862%0.624SS**Hα-helixtrans-60.9-44.2178-77163.8000112.2N5 T6 L12 S13N5-L9 WeakPolarHBondContact O-CB 3.5Å; N5-L9 WeakPolarHBondContact O-CD1 3.38Å; N5-L9 WeakPolarHBondContact O-CG 3.32Å; N5-L9 PolarHBondContact O-N 3.42Å; T6-L9 PolarHBondContact O-N 2.73Å; L9-L12 PolarHBondContact O-N 3.48Å; L9-S13 PolarHBondContact O-N 3.39Å; L9-S13 PolarHBondContact O-OG 3.07Å
10V74.3Confident65.3Low73 Ų73126.3 Ų126.344%0.44263%0.625SS.*Hα-helixtrans-63.9-43.1177.8171.90000110.9T6 L7 L8 L12 S13 F14T6-V10 WeakPolarHBondContact O-CB 3.46Å; T6-V10 VanDerWaalsContact O-CG2 3.24Å; T6-V10 WeakPolarHBondContact O-CG2 3.24Å; T6-V10 PolarHBondContact O-N 3.1Å; L7-V10 PolarHBondContact O-N 3.39Å; L8-V10 PolarHBondContact O-N 2.99Å; V10-L12 PolarHBondContact O-N 2.95Å; V10-S13 PolarHBondContact O-N 3.37Å; V10-F14 HydrophobicContact CG1-CD2 3.75Å; V10-F14 HydrophobicContact CG1-CE2 3.53Å; V10-F14 WeakPolarHBondContact O-CD2 3.18Å; V10-F14 PolarHBondContact O-N 3.46Å; V10-F14 VanDerWaalsContact O-N 3.12Å
11S74.5Confident65.6Low54 Ų54126.4 Ų126.438%0.37863%0.626SS.*Hα-helixtrans-64.2-38.3177.159.40000113.2L7 L8 F14 L15L7-S11 WeakPolarHBondContact O-CB 3.44Å; L7-S11 PolarHBondContact O-N 2.93Å; L7-S11 PolarHBondContact O-OG 3.29Å; L7-S11 VanDerWaalsContact O-OG 3.1Å; L8-S11 WeakPolarHBondContact CA-OG 3.49Å; L8-S11 PolarHBondContact O-N 2.97Å; L8-S11 PolarHBondContact O-OG 3.12Å; S11-F14 PolarHBondContact O-N 3.43Å; S11-L15 WeakPolarHBondContact O-CG 3.46Å; S11-L15 PolarHBondContact O-N 3.25Å
12L71.6Confident67.1Low105 Ų105118 Ų11855%0.5559%0.59SS.*Hα-helixtrans-63.8-43.3174.6-119.185.9000111.7L8 L9 V10 F14 L15 Y16L8-L12 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 3.48Å; V10-L12 PolarHBondContact O-N 2.95Å; L12-F14 VanDerWaalsContact C-N 3.32Å; L12-F14 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.19Å; L12-Y16 PolarHBondContact O-N 3.05Å; L12-Y16 VanDerWaalsContact O-N 3.07Å
13S71.3Confident68.9Low69 Ų69108.8 Ų108.848%0.48356%0.558SS.*Hα-helixtrans-61.1-39.2177.9-58.80000112.4L9 V10 Y16 L17L9-S13 PolarHBondContact O-N 3.39Å; L9-S13 PolarHBondContact O-OG 3.07Å; V10-S13 PolarHBondContact O-N 3.37Å; S13-Y16 PolarHBondContact O-N 2.96Å; S13-L17 WeakPolarHBondContact O-CG 3.35Å; S13-L17 PolarHBondContact O-N 3.16Å
14F64.2Low70.6Confident139 Ų139103.8 Ų103.861%0.6154%0.537SS*.Hα-helixtrans-70-33.6177.2-82.4-66.2000113.5V10 S11 L12 L17 K18V10-F14 HydrophobicContact CG1-CD2 3.75Å; V10-F14 HydrophobicContact CG1-CE2 3.53Å; V10-F14 WeakPolarHBondContact O-CD2 3.18Å; V10-F14 PolarHBondContact O-N 3.46Å; V10-F14 VanDerWaalsContact O-N 3.12Å; S11-F14 PolarHBondContact O-N 3.43Å; L12-F14 VanDerWaalsContact C-N 3.32Å; L12-F14 PolarHBondContact O-N 3.29Å; F14-L17 HydrophobicContact CD1-CD1 4.37Å; F14-K18 PolarHBondContact O-N 3.5Å
15L63.5Low72.2Confident115 Ų11597.6 Ų97.660%0.60251%0.506SS*.Hα-helixtrans-65.5-41.8172.7-69.5168.6000110.9S11 L12 K18 E19S11-L15 WeakPolarHBondContact O-CG 3.46Å; S11-L15 PolarHBondContact O-N 3.25Å; L12-L15 PolarHBondContact O-N 3.19Å; L15-K18 WeakPolarHBondContact O-CB 3.44Å; L15-K18 PolarHBondContact O-N 3.41Å; L15-E19 PolarHBondContact O-N 3.41Å
16Y59.6Low73.8Confident159 Ų15994.1 Ų94.162%0.62449%0.488SS*.Hα-helixtrans-64.2-42.6177.1-121.8-91000112.9L12 S13 K18 E19 V20L12-Y16 PolarHBondContact O-N 3.05Å; L12-Y16 VanDerWaalsContact O-N 3.07Å; S13-Y16 PolarHBondContact O-N 2.96Å; Y16-K18 PolarHBondContact O-N 3.49Å; Y16-E19 PolarHBondContact O-N 3.02Å; Y16-E19 VanDerWaalsContact O-N 3.16Å; Y16-V20 WeakPolarHBondContact O-CG2 3.34Å; Y16-V20 PolarHBondContact O-N 3.15Å; Y16-V20 VanDerWaalsContact O-N 3.15Å
17L59Low75.1Confident105 Ų10591.8 Ų91.855%0.5547%0.473SS..Hα-helixtrans-62-30.4177.8-74.9167.5000112.8S13 F14 V20 M21S13-L17 WeakPolarHBondContact O-CG 3.35Å; S13-L17 PolarHBondContact O-N 3.16Å; F14-L17 HydrophobicContact CD1-CD1 4.37Å; L17-V20 PolarHBondContact O-N 3.36Å; L17-M21 PolarHBondContact O-N 3.26Å
18K55.1Low76.3Confident176 Ų17685.7 Ų85.777%0.76544%0.441SS*.Hα-helixtrans-71.1-32.9177.8-145.9-177.8-175.8-173.70112.2F14 L15 Y16F14-K18 PolarHBondContact O-N 3.5Å; L15-K18 WeakPolarHBondContact O-CB 3.44Å; L15-K18 PolarHBondContact O-N 3.41Å; Y16-K18 PolarHBondContact O-N 3.49Å
19E54.4Low77.3Confident153 Ų15387.2 Ų87.272%0.71545%0.449SS*.Hα-helixtrans-74.4-34.1173.5-77.6-169.8155.400112.9L15 Y16 M21L15-E19 PolarHBondContact O-N 3.41Å; Y16-E19 PolarHBondContact O-N 3.02Å; Y16-E19 VanDerWaalsContact O-N 3.16Å; E19-M21 VanDerWaalsContact C-N 3.26Å; E19-M21 PolarHBondContact O-N 3.35Å
20V60.2Low78.4Confident108 Ų10886 Ų8666%0.65544%0.437SS*.Hα-helixtrans-68.6-26.9-178176.80000112.1Y16 L17 G22Y16-V20 WeakPolarHBondContact O-CG2 3.34Å; Y16-V20 PolarHBondContact O-N 3.15Å; Y16-V20 VanDerWaalsContact O-N 3.15Å; L17-V20 PolarHBondContact O-N 3.36Å; V20-G22 PolarHBondContact O-N 3.31Å
21M71.8Confident79.4Confident130 Ų13082.6 Ų82.664%0.6442%0.416SS*.SBendtrans-90.974.3177.6-65.5-172.462.300111L17 E19L17-M21 PolarHBondContact O-N 3.26Å; E19-M21 VanDerWaalsContact C-N 3.26Å; E19-M21 PolarHBondContact O-N 3.35Å
22G86.4Confident80.3Confident25 Ų2585.4 Ų85.426%0.25842%0.423SS..PPolyproline II helixtrans-52.9154.8175.600000113.6V20 K24V20-G22 PolarHBondContact O-N 3.31Å; G22-K24 PolarHBondContact O-N 3.3Å
23L95.2Very high81Confident36 Ų3682.3 Ų82.319%0.18842%0.416CS..PPolyproline II helixtrans-58.9117.6-176.8173.468.5000111.2I44 A45L23-I44 CarbonylContact O-C 3.56Å; L23-I44 WeakPolarHBondContact O-CA 3.24Å; L23-A45 HydrophobicContact CB-CB 3.99Å; L23-A45 HydrophobicContact CD2-CB 4.08Å; L23-A45 HydrophobicContact CG-CB 4.24Å; L23-A45 PolarHBondContact O-N 2.99Å
24K97.4Very high81.8Confident79 Ų7989.7 Ų89.734%0.34343%0.434SS..EExtended strand (participates in β ladder)trans-91.2135.8178.2-62.9-177.5-178.4179.80110.6G22 T42 C43 I44 N93 F94G22-K24 PolarHBondContact O-N 3.3Å; K24-T42 HydrophobicContact CB-CG2 4.28Å; K24-C43 CarbonylContact C-O 3.58Å; K24-C43 WeakPolarHBondContact CA-O 3.06Å; K24-I44 HydrophobicContact CG-CG1 4.41Å; K24-N93 PolarHBondContact N-OD1 3.45Å; K24-N93 CarbonylContact O-C 3.56Å; K24-N93 WeakPolarHBondContact O-CA 3.2Å; K24-F94 HydrophobicContact CB-CD1 4.42Å; K24-F94 HydrophobicContact CB-CE1 3.87Å; K24-F94 HydrophobicContact CB-CE2 4Å; K24-F94 HydrophobicContact CB-CZ 3.63Å; K24-F94 HydrophobicContact CD-CE2 4.16Å; K24-F94 HydrophobicContact CD-CZ 3.8Å; K24-F94 HydrophobicContact CG-CZ 4.35Å; K24-F94 PolarHBondContact O-N 2.94Å
25C98.3Very high83.2Confident0 Ų089.6 Ų89.60%043%0.433CS..EExtended strand (participates in β ladder)trans-129.2151.1178.6-50.20000111.1T42 C43 C51 C69C25-T42 VanDerWaalsContact O-CA 3.27Å; C25-T42 WeakPolarHBondContact O-CA 3.48Å; C25-T42 WeakPolarHBondContact O-CG2 3.04Å; C25-C43 PolarHBondContact N-O 2.03Å; C25-C43 PolarHBondContact O-N 2.85Å; C25-C51 VanDerWaalsContact CA-SG 3.55Å; C25-C51 HydrophobicContact CB-CB 3.7Å; C25-C51 WeakPolarHBondContact CB-SG 3.35Å; C25-C51 WeakPolarHBondContact SG-CA 3.46Å; C25-C51 WeakPolarHBondContact SG-CB 3.46Å; C25-C51 PolarHBondContact SG-N 2.76Å; C25-C51 VanDerWaalsContact SG-N 3.44Å; C25-C51 CovalentContact SG-SG 2.03Å; C25-C51 PolarHBondContact SG-SG 2.86Å; C25-C69 VanDerWaalsContact SG-SG 3.66Å
26N98.2Very high84.8Confident29 Ų2984.8 Ų84.816%0.15541%0.409CS..EExtended strand (participates in β ladder)trans-69.9140.2169.4-63.8-53.6000109.8H67 F94 N96 F98N26-H67 CarbonylContact O-C 3.53Å; N26-F94 PolarHBondContact ND2-O 3.18Å; N26-F94 WeakPolarHBondContact OD1-CD1 3.37Å; N26-N96 PolarHBondContact N-OD1 3.4Å; N26-N96 PolarHBondContact ND2-O 2.85Å; N26-N96 PolarHBondContact O-ND2 3.15Å; N26-F98 HydrophobicContact CB-CE1 4.42Å
27T98.3Very high86.6Confident33 Ų3381.7 Ų81.720%0.20240%0.401CS..EExtended strand (participates in β ladder)trans-109.4137.3166.668.90000110.2G39 R40 G41 T42 C43 H67T27-G39 CarbonylContact C-O 3.59Å; T27-G39 PolarHBondContact OG1-O 3.21Å; T27-R40 WeakPolarHBondContact O-CA 3.34Å; T27-G41 PolarHBondContact N-O 3.08Å; T27-G41 PolarHBondContact O-N 3.24Å; T27-G41 WeakPolarHBondContact OG1-CA 2.96Å; T27-G41 PolarHBondContact OG1-N 2.85Å; T27-G41 VanDerWaalsContact OG1-N 3.09Å; T27-G41 PolarHBondContact OG1-O 3.34Å; T27-T42 PolarHBondContact OG1-N 3.21Å; T27-C43 HydrophobicContact CG2-CB 3.8Å; T27-H67 VanDerWaalsContact CA-O 3.29Å; T27-H67 WeakPolarHBondContact CA-O 3.37Å
28C98.2Very high88.4Confident1 Ų178.9 Ų78.91%0.00739%0.393CS..BIsolated β-bridgetrans-159.1124.5170.5-168.90000109.2Y30 T31 C36 A38 G39 T66 H67C28-Y30 VanDerWaalsContact SG-C 3.6Å; C28-Y30 PolarHBondContact SG-O 3.49Å; C28-T31 HydrophobicContact CB-CG2 4.01Å; C28-T31 WeakPolarHBondContact SG-CG2 3.46Å; C28-C36 HydrophobicContact CB-CB 3.93Å; C28-C36 WeakPolarHBondContact CB-SG 3.03Å; C28-C36 WeakPolarHBondContact SG-CA 3.03Å; C28-C36 WeakPolarHBondContact SG-CB 3.36Å; C28-C36 CovalentContact SG-SG 2.03Å; C28-C36 PolarHBondContact SG-SG 2.01Å; C28-A38 PolarHBondContact SG-O 3.17Å; C28-A38 VanDerWaalsContact SG-O 3.34Å; C28-G39 WeakPolarHBondContact CA-O 3.44Å; C28-T66 CarbonylContact O-C 3.55Å; C28-T66 WeakPolarHBondContact O-CA 3.34Å; C28-H67 HydrophobicContact CB-CB 4.12Å; C28-H67 PolarHBondContact N-O 3.12Å; C28-H67 PolarHBondContact O-N 3.36Å
29I96.9Very high90.4Very high124 Ų12472.3 Ų72.364%0.63638%0.375SS*.SBendtrans-82.1-28.6-178.6-61.5169.1000110.6A38 T66I29-A38 PolarHBondContact N-O 3.47Å; I29-T66 WeakPolarHBondContact O-CG2 3.46Å
30Y97.3Very high92.5Very high94 Ų9474.2 Ų74.237%0.36938%0.375SS..EExtended strand (participates in β ladder)trans-147.4119.9179.6-177.5-109.3000110.6C28 E32 M37 A38 Y64C28-Y30 VanDerWaalsContact SG-C 3.6Å; C28-Y30 PolarHBondContact SG-O 3.49Å; Y30-E32 HydrophobicContact CE1-CB 4.49Å; Y30-M37 HydrophobicContact CD1-CB 3.64Å; Y30-M37 HydrophobicContact CD1-CG 4.24Å; Y30-M37 HydrophobicContact CE1-CB 4.14Å; Y30-M37 HydrophobicContact CE1-CG 4.31Å; Y30-M37 PolarHBondContact O-N 3Å; Y30-A38 PolarHBondContact N-O 3.25Å; Y30-A38 PolarHBondContact O-N 3.17Å; Y30-Y64 HydrophobicContact CD2-CD2 4.06Å; Y30-Y64 AromaticContact CD2-CG 3.9Å; Y30-Y64 HydrophobicContact CD2-CG 3.9Å; Y30-Y64 HydrophobicContact CE2-CD1 4.19Å; Y30-Y64 HydrophobicContact CE2-CD2 4.37Å; Y30-Y64 AromaticContact CE2-CG 3.75Å; Y30-Y64 HydrophobicContact CE2-CG 3.75Å
31T96.7Very high94.2Very high1 Ų170.5 Ų70.51%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-111.1143.817351.80000110.7C28 K35 Y64 S65 F98C28-T31 HydrophobicContact CB-CG2 4.01Å; C28-T31 WeakPolarHBondContact SG-CG2 3.46Å; T31-K35 VanDerWaalsContact CA-O 3.26Å; T31-K35 WeakPolarHBondContact CA-O 3.38Å; T31-Y64 VanDerWaalsContact O-CA 3.26Å; T31-Y64 WeakPolarHBondContact O-CA 3.08Å; T31-Y64 VanDerWaalsContact O-CB 3.23Å; T31-Y64 WeakPolarHBondContact O-CB 3.42Å; T31-S65 PolarHBondContact N-O 3.22Å; T31-S65 VanDerWaalsContact N-O 3.1Å; T31-S65 WeakPolarHBondContact OG1-CA 3.41Å; T31-S65 WeakPolarHBondContact OG1-CB 3.38Å; T31-S65 PolarHBondContact OG1-N 2.8Å; T31-S65 PolarHBondContact OG1-O 2.79Å; T31-F98 HydrophobicContact CG2-CB 3.72Å; T31-F98 HydrophobicContact CG2-CG 4.39Å
32E92.3Very high95.5Very high113 Ų11368.2 Ų68.253%0.52835%0.352SS..EExtended strand (participates in β ladder)trans-124.2110.9171.2-174.1172.5-17100107.9Y30 W34 K35 M37Y30-E32 HydrophobicContact CE1-CB 4.49Å; E32-W34 PolarHBondContact O-N 3.22Å; E32-K35 PolarHBondContact N-O 3.41Å; E32-K35 PolarHBondContact O-N 2.99Å; E32-M37 HydrophobicContact CB-CG 3.71Å; E32-M37 HydrophobicContact CB-SD 4.47Å
33G87.4Confident96Very high39 Ų3968.4 Ų68.440%0.40235%0.35SS..THydrogen-bonded Turntrans56-122.8-166.500000111.1
34W87.2Confident96.1Very high225 Ų22571.8 Ų71.885%0.85237%0.367SS*.THydrogen-bonded Turntrans-94.715.8-177.5-47.292.3000114.3E32 F98E32-W34 PolarHBondContact O-N 3.22Å; W34-F98 VanDerWaalsContact CA-OXT 3.23Å; W34-F98 WeakPolarHBondContact CA-OXT 3.34Å; W34-F98 WeakPolarHBondContact O-CD2 2.98Å
35K94.4Very high96Very high137 Ų13768.8 Ų68.860%0.59636%0.357SS*.EExtended strand (participates in β ladder)trans-122.2128-173.3-168.7174.2177.1-176.90110.9T31 E32 M37T31-K35 VanDerWaalsContact CA-O 3.26Å; T31-K35 WeakPolarHBondContact CA-O 3.38Å; E32-K35 PolarHBondContact N-O 3.41Å; E32-K35 PolarHBondContact O-N 2.99Å; K35-M37 HydrophobicContact CB-SD 4.25Å; K35-M37 HydrophobicContact CD-SD 3.81Å; K35-M37 HydrophobicContact CG-SD 3.9Å; K35-M37 PolarHBondContact O-N 2.85Å
36C96.9Very high95.9Very high13 Ų1376.3 Ų76.39%0.08839%0.389CS..EExtended strand (participates in β ladder)trans-73.6118.1166.5-1730000110.2C28 A38 R40 F98C28-C36 HydrophobicContact CB-CB 3.93Å; C28-C36 WeakPolarHBondContact CB-SG 3.03Å; C28-C36 WeakPolarHBondContact SG-CA 3.03Å; C28-C36 WeakPolarHBondContact SG-CB 3.36Å; C28-C36 CovalentContact SG-SG 2.03Å; C28-C36 PolarHBondContact SG-SG 2.01Å; C36-A38 PolarHBondContact SG-O 3.13Å; C36-A38 VanDerWaalsContact SG-O 3.4Å; C36-R40 HydrophobicContact CB-CB 4.37Å; C36-R40 HydrophobicContact CB-CG 4.48Å; C36-F98 HydrophobicContact CB-CD1 4.3Å; C36-F98 HydrophobicContact CB-CE1 4.14Å; C36-F98 HydrophobicContact CB-CE2 4.36Å; C36-F98 HydrophobicContact CB-CG 4.49Å; C36-F98 HydrophobicContact CB-CZ 4.16Å
37M97.5Very high95.6Very high95 Ų9582.9 Ų82.947%0.46842%0.419SS..EExtended strand (participates in β ladder)trans-98.6-26.8-176.5-62.2-58.8-78.500111.8Y30 E32 K35Y30-M37 HydrophobicContact CD1-CB 3.64Å; Y30-M37 HydrophobicContact CD1-CG 4.24Å; Y30-M37 HydrophobicContact CE1-CB 4.14Å; Y30-M37 HydrophobicContact CE1-CG 4.31Å; Y30-M37 PolarHBondContact O-N 3Å; E32-M37 HydrophobicContact CB-CG 3.71Å; E32-M37 HydrophobicContact CB-SD 4.47Å; K35-M37 HydrophobicContact CB-SD 4.25Å; K35-M37 HydrophobicContact CD-SD 3.81Å; K35-M37 HydrophobicContact CG-SD 3.9Å; K35-M37 PolarHBondContact O-N 2.85Å
38A97.4Very high95.4Very high46 Ų4685.6 Ų85.638%0.3843%0.433SS..EExtended strand (participates in β ladder)trans-149.9146.5176.200000113C28 I29 Y30 C36C28-A38 PolarHBondContact SG-O 3.17Å; C28-A38 VanDerWaalsContact SG-O 3.34Å; I29-A38 PolarHBondContact N-O 3.47Å; Y30-A38 PolarHBondContact N-O 3.25Å; Y30-A38 PolarHBondContact O-N 3.17Å; C36-A38 PolarHBondContact SG-O 3.13Å; C36-A38 VanDerWaalsContact SG-O 3.4Å
39G96Very high95.4Very high37 Ų3788.1 Ų88.138%0.38144%0.444SS..  trans72.728174.700000114.7T27 C28 G41T27-G39 CarbonylContact C-O 3.59Å; T27-G39 PolarHBondContact OG1-O 3.21Å; C28-G39 WeakPolarHBondContact CA-O 3.44Å; G39-G41 PolarHBondContact O-N 2.86Å
40R97.8Very high95.4Very high193 Ų19383.3 Ų83.373%0.72842%0.421SS*.  trans-61.5132.7177.6-173.1174.6-177.2155.12110.5T27 C36T27-R40 WeakPolarHBondContact O-CA 3.34Å; C36-R40 HydrophobicContact CB-CB 4.37Å; C36-R40 HydrophobicContact CB-CG 4.48Å
41G97.4Very high95.5Very high30 Ų3078.8 Ų78.831%0.30940%0.404SS..EExtended strand (participates in β ladder)trans176-156.3176.200000112.8T27 G39T27-G41 PolarHBondContact N-O 3.08Å; T27-G41 PolarHBondContact O-N 3.24Å; T27-G41 WeakPolarHBondContact OG1-CA 2.96Å; T27-G41 PolarHBondContact OG1-N 2.85Å; T27-G41 VanDerWaalsContact OG1-N 3.09Å; T27-G41 PolarHBondContact OG1-O 3.34Å; G39-G41 PolarHBondContact O-N 2.86Å
42T97.8Very high95.6Very high82 Ų8278.8 Ų78.850%0.50340%0.404SS..EExtended strand (participates in β ladder)trans-142.6143.2179.4-61.50000109.2K24 C25 T27 F94K24-T42 HydrophobicContact CB-CG2 4.28Å; C25-T42 VanDerWaalsContact O-CA 3.27Å; C25-T42 WeakPolarHBondContact O-CA 3.48Å; C25-T42 WeakPolarHBondContact O-CG2 3.04Å; T27-T42 PolarHBondContact OG1-N 3.21Å; T42-F94 HydrophobicContact CG2-CE1 3.61Å; T42-F94 HydrophobicContact CG2-CZ 4.18Å
43C97.3Very high95.8Very high30 Ų3074.5 Ų74.520%0.20339%0.385CS..EExtended strand (participates in β ladder)trans-122.215516959.70000110K24 C25 T27 C69K24-C43 CarbonylContact C-O 3.58Å; K24-C43 WeakPolarHBondContact CA-O 3.06Å; C25-C43 PolarHBondContact N-O 2.03Å; C25-C43 PolarHBondContact O-N 2.85Å; T27-C43 HydrophobicContact CG2-CB 3.8Å; C43-C69 HydrophobicContact CB-CB 4.1Å; C43-C69 WeakPolarHBondContact CB-SG 3.45Å; C43-C69 WeakPolarHBondContact SG-CB 3.29Å; C43-C69 PolarHBondContact SG-N 3.13Å; C43-C69 CovalentContact SG-SG 2.04Å; C43-C69 PolarHBondContact SG-SG 2.84Å
44I96.9Very high96.3Very high106 Ų10672.9 Ų72.954%0.54437%0.367SS..EExtended strand (participates in β ladder)trans-102.6119.8168.2-59.1174.2000105.9L23 K24 K46L23-I44 CarbonylContact O-C 3.56Å; L23-I44 WeakPolarHBondContact O-CA 3.24Å; K24-I44 HydrophobicContact CG-CG1 4.41Å; I44-K46 PolarHBondContact O-N 3.11Å
45A96.2Very high96.8Very high16 Ų1662.7 Ų62.713%0.13233%0.332CS..  trans-63.5129.5-179.500000109.8L23 E49 C69L23-A45 HydrophobicContact CB-CB 3.99Å; L23-A45 HydrophobicContact CD2-CB 4.08Å; L23-A45 HydrophobicContact CG-CB 4.24Å; L23-A45 PolarHBondContact O-N 2.99Å; A45-E49 HydrophobicContact CB-CB 3.88Å; A45-C69 HydrophobicContact CB-CB 4.48Å
46K94.9Very high96.9Very high158 Ų15858.1 Ų58.169%0.68731%0.311SS*.  trans-81.4-178.6173.3-61.4175.8-178.5177.10110.6I44 N48 E49I44-K46 PolarHBondContact O-N 3.11Å; K46-N48 PolarHBondContact O-N 2.84Å; K46-E49 HydrophobicContact CB-CG 4.19Å; K46-E49 PolarHBondContact N-OE2 3.04Å; K46-E49 WeakPolarHBondContact O-CB 3.36Å; K46-E49 PolarHBondContact O-N 2.03Å
47E93.1Very high96.9Very high168 Ų16860.1 Ų60.179%0.78532%0.318SS*.THydrogen-bonded Turntrans-52.3131.2172.7-159.5-165.7148.300111.1E49E47-E49 PolarHBondContact O-N 3.44Å
48N94.6Very high96.8Very high90 Ų9063.3 Ų63.348%0.48133%0.325SS..THydrogen-bonded Turntrans62.713.2-176.6-53.9-69.3000115.5K46 Y71 K72K46-N48 PolarHBondContact O-N 2.84Å; N48-Y71 HydrophobicContact CB-CD2 4.11Å; N48-Y71 HydrophobicContact CB-CE2 3.75Å; N48-K72 HydrophobicContact CB-CG 4.46Å; N48-K72 PolarHBondContact O-N 2.93Å
49E97.2Very high96.6Very high54 Ų5463.8 Ų63.825%0.25233%0.334SS..EExtended strand (participates in β ladder)trans-97.4151168.8-62.8-175.5159.400111.2A45 K46 E47 C69 K70A45-E49 HydrophobicContact CB-CB 3.88Å; K46-E49 HydrophobicContact CB-CG 4.19Å; K46-E49 PolarHBondContact N-OE2 3.04Å; K46-E49 WeakPolarHBondContact O-CB 3.36Å; K46-E49 PolarHBondContact O-N 2.03Å; E47-E49 PolarHBondContact O-N 3.44Å; E49-C69 HydrophobicContact CB-CB 4.46Å; E49-K70 WeakPolarHBondContact CA-O 3.27Å
50S97.6Very high96.3Very high22 Ų2270.3 Ų70.315%0.15436%0.36CS..EExtended strand (participates in β ladder)trans-136.3168.8167780000110.2C69 K70 C73S50-C69 CarbonylContact O-C 3.48Å; S50-C69 WeakPolarHBondContact O-CA 3.48Å; S50-K70 PolarHBondContact N-O 2.81Å; S50-K70 VanDerWaalsContact N-O 3.17Å; S50-K70 PolarHBondContact O-N 3.5Å; S50-C73 WeakPolarHBondContact OG-CB 3.39Å
51C98.5Very high96.1Very high0 Ų068.1 Ų68.10%036%0.356CS..EExtended strand (participates in β ladder)trans-66.3142.1170.3-540000109.6C25 C89 C90 C95 N96C25-C51 VanDerWaalsContact CA-SG 3.55Å; C25-C51 HydrophobicContact CB-CB 3.7Å; C25-C51 WeakPolarHBondContact CB-SG 3.35Å; C25-C51 WeakPolarHBondContact SG-CA 3.46Å; C25-C51 WeakPolarHBondContact SG-CB 3.46Å; C25-C51 PolarHBondContact SG-N 2.76Å; C25-C51 VanDerWaalsContact SG-N 3.44Å; C25-C51 CovalentContact SG-SG 2.03Å; C25-C51 PolarHBondContact SG-SG 2.86Å; C51-C89 WeakPolarHBondContact O-CA 3.35Å; C51-C90 WeakPolarHBondContact CB-O 3.12Å; C51-C90 PolarHBondContact N-O 3.17Å; C51-C90 VanDerWaalsContact N-O 3.08Å; C51-C90 PolarHBondContact O-N 3.09Å; C51-C95 WeakPolarHBondContact CB-SG 3.26Å; C51-N96 HydrophobicContact CB-CB 4.06Å
52S98.5Very high96Very high0 Ų069.5 Ų69.50%035%0.354CS..EExtended strand (participates in β ladder)trans-139.4146.4179.2-173.10000112.2H67 M68 C73 L88 N96S52-H67 WeakPolarHBondContact O-CA 3.41Å; S52-M68 PolarHBondContact N-O 2.89Å; S52-M68 PolarHBondContact O-N 3.21Å; S52-M68 VanDerWaalsContact O-N 3.12Å; S52-C73 VanDerWaalsContact CB-SG 3.59Å; S52-L88 VanDerWaalsContact CA-O 3.27Å; S52-L88 WeakPolarHBondContact CA-O 3.33Å; S52-L88 PolarHBondContact OG-O 3.06Å; S52-L88 VanDerWaalsContact OG-O 3.04Å; S52-N96 PolarHBondContact O-ND2 3.23Å; S52-N96 VanDerWaalsContact O-ND2 3.13Å
53T98.1Very high95.9Very high23 Ų2368.8 Ų68.814%0.14135%0.346CS..EExtended strand (participates in β ladder)trans-120.4125.7164.5-61.50000107.8T66 H67 T87 L88 N96T53-T66 CarbonylContact C-O 3.5Å; T53-T66 WeakPolarHBondContact CA-O 3.27Å; T53-H67 PolarHBondContact OG1-ND1 3.45Å; T53-T87 CarbonylContact O-C 3.59Å; T53-T87 WeakPolarHBondContact O-CA 3.44Å; T53-L88 PolarHBondContact N-O 2.94Å; T53-L88 VanDerWaalsContact N-O 3.11Å; T53-L88 PolarHBondContact O-N 3.27Å; T53-N96 WeakPolarHBondContact OG1-CB 3.01Å
54T97.6Very high95.8Very high5 Ų570.9 Ų70.93%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-114.3108.8169.5-61.60000109.1Y56 S65 T66 R85 V86 T87T54-Y56 HydrophobicContact CG2-CE2 3.73Å; T54-S65 CarbonylContact O-C 3.37Å; T54-S65 WeakPolarHBondContact O-CA 3.28Å; T54-T66 WeakPolarHBondContact CB-OG1 3.04Å; T54-T66 PolarHBondContact N-O 2.96Å; T54-T66 PolarHBondContact O-N 2.85Å; T54-R85 HydrophobicContact CG2-CG 3.69Å; T54-V86 CarbonylContact C-O 3.54Å; T54-V86 VanDerWaalsContact CA-O 3.27Å; T54-V86 WeakPolarHBondContact CA-O 3.21Å; T54-T87 PolarHBondContact OG1-OG1 3.47Å
55A97Very high95.8Very high12 Ų1266.3 Ų66.310%0.09933%0.328CS..EExtended strand (participates in β ladder)trans-101141.1-177.800000111.4F57 S65 R85 V86A55-F57 HydrophobicContact CB-CD2 4.34Å; A55-F57 HydrophobicContact CB-CE2 3.46Å; A55-F57 VanDerWaalsContact CB-CE2 3.46Å; A55-F57 HydrophobicContact CB-CZ 3.89Å; A55-S65 WeakPolarHBondContact CA-OG 3.5Å; A55-S65 VanDerWaalsContact CB-OG 3.27Å; A55-S65 WeakPolarHBondContact CB-OG 3.4Å; A55-R85 CarbonylContact O-C 3.51Å; A55-R85 WeakPolarHBondContact O-CA 3.2Å; A55-V86 PolarHBondContact N-O 2.8Å; A55-V86 PolarHBondContact O-N 2.94Å
56Y96.6Very high95.9Very high41 Ų4166.6 Ų66.616%0.16133%0.328CS..EExtended strand (participates in β ladder)trans-116.6129.4179.8-62.9-95.1000109.5T54 M63 Y64 T66 L83 L84 R85T54-Y56 HydrophobicContact CG2-CE2 3.73Å; Y56-M63 WeakPolarHBondContact O-CB 3.23Å; Y56-M63 PolarHBondContact O-N 2.79Å; Y56-Y64 AromaticContact CD2-CD2 3.67Å; Y56-Y64 HydrophobicContact CD2-CD2 3.67Å; Y56-Y64 HydrophobicContact CD2-CE1 4.11Å; Y56-Y64 AromaticContact CD2-CE2 3.18Å; Y56-Y64 HydrophobicContact CD2-CE2 3.18Å; Y56-Y64 HydrophobicContact CD2-CG 4.31Å; Y56-Y64 AromaticContact CD2-CZ 3.42Å; Y56-Y64 VanDerWaalsContact CD2-CZ 3.42Å; Y56-Y64 HydrophobicContact CE2-CD2 4.16Å; Y56-Y64 AromaticContact CE2-CE2 3.4Å; Y56-Y64 HydrophobicContact CE2-CE2 3.4Å; Y56-Y64 VanDerWaalsContact CE2-CE2 3.4Å; Y56-Y64 AromaticContact CE2-CZ 3.82Å; Y56-Y64 HydrophobicContact CG-CD2 4.45Å; Y56-Y64 AromaticContact CG-CE1 3.96Å; Y56-Y64 HydrophobicContact CG-CE1 3.96Å; Y56-Y64 AromaticContact CG-CE2 3.87Å; Y56-Y64 HydrophobicContact CG-CE2 3.87Å; Y56-Y64 AromaticContact CG-CZ 3.58Å; Y56-Y64 PolarHBondContact N-O 2.04Å; Y56-T66 HydrophobicContact CE2-CG2 4.3Å; Y56-L83 HydrophobicContact CD1-CD2 4.16Å; Y56-L83 HydrophobicContact CD1-CG 4.45Å; Y56-L84 CarbonylContact C-O 3.58Å; Y56-L84 WeakPolarHBondContact CA-O 3.42Å; Y56-R85 HydrophobicContact CD1-CB 4.19Å; Y56-R85 HydrophobicContact CD1-CG 4.22Å; Y56-R85 HydrophobicContact CE1-CB 4.15Å; Y56-R85 HydrophobicContact CE1-CG 3.79Å
57F96.3Very high96.1Very high55 Ų5559.4 Ų59.424%0.24130%0.297CS..EExtended strand (participates in β ladder)trans-127.5146.6-178.1-57.5-98.5000110.9A55 K61 H62 L83 L84 V86A55-F57 HydrophobicContact CB-CD2 4.34Å; A55-F57 HydrophobicContact CB-CE2 3.46Å; A55-F57 VanDerWaalsContact CB-CE2 3.46Å; A55-F57 HydrophobicContact CB-CZ 3.89Å; F57-K61 CarbonylContact C-O 3.59Å; F57-K61 WeakPolarHBondContact CA-O 3.08Å; F57-H62 HydrophobicContact CD1-CB 3.94Å; F57-H62 HydrophobicContact CE1-CB 3.74Å; F57-H62 AromaticContact CE1-CD2 3.86Å; F57-H62 AromaticContact CZ-CD2 3.95Å; F57-L83 WeakPolarHBondContact O-CA 3.38Å; F57-L84 HydrophobicContact CB-CB 4.17Å; F57-L84 HydrophobicContact CB-CD2 4.42Å; F57-L84 HydrophobicContact CD2-CD2 4.38Å; F57-L84 HydrophobicContact CD2-CG 4.48Å; F57-L84 PolarHBondContact N-O 3.17Å; F57-L84 PolarHBondContact O-N 2.85Å; F57-V86 HydrophobicContact CD2-CG2 4.33Å; F57-V86 HydrophobicContact CE2-CB 4.45Å; F57-V86 HydrophobicContact CE2-CG2 4.12Å
58R96.3Very high96.3Very high162 Ų16255.4 Ų55.461%0.61128%0.279SS*.EExtended strand (participates in β ladder)trans-121.2107.8166.6-175174.8-84177.7-5108N60 K61 M63R58-N60 PolarHBondContact O-N 3.01Å; R58-K61 PolarHBondContact N-O 3.28Å; R58-K61 PolarHBondContact O-N 3.27Å; R58-M63 HydrophobicContact CB-CG 4.08Å; R58-M63 HydrophobicContact CB-SD 3.91Å
59G92.6Very high96.5Very high55 Ų5552 Ų5257%0.56726%0.262SS*.THydrogen-bonded Turntrans60.5-127.5-163.900000110.5
60N90.5Very high96.5Very high175 Ų17551.4 Ų51.494%0.93626%0.258SS*.THydrogen-bonded Turntrans-89.7-2.5177.1-64.1-15.3000113.5R58R58-N60 PolarHBondContact O-N 3.01Å
61K94.1Very high96.5Very high147 Ų14756.6 Ų56.664%0.63928%0.275SS*.EExtended strand (participates in β ladder)trans-86119.2-178.6-175.2175.6-179.8178.50110.1F57 R58 M63F57-K61 CarbonylContact C-O 3.59Å; F57-K61 WeakPolarHBondContact CA-O 3.08Å; R58-K61 PolarHBondContact N-O 3.28Å; R58-K61 PolarHBondContact O-N 3.27Å; K61-M63 HydrophobicContact CD-SD 4.22Å; K61-M63 HydrophobicContact CG-SD 4.29Å; K61-M63 PolarHBondContact O-N 2.76Å
62H94.3Very high96.5Very high59 Ų5963.2 Ų63.227%0.27330%0.304SS..EExtended strand (participates in β ladder)trans-65.2125.5163.7177.6-104.5000109F57 Y64 S65F57-H62 HydrophobicContact CD1-CB 3.94Å; F57-H62 HydrophobicContact CE1-CB 3.74Å; F57-H62 AromaticContact CE1-CD2 3.86Å; F57-H62 AromaticContact CZ-CD2 3.95Å; H62-Y64 PolarHBondContact NE2-O 2.86Å; H62-S65 PolarHBondContact NE2-OG 2.83Å
63M95.3Very high96.4Very high67 Ų6764.5 Ų64.533%0.3331%0.313SS..EExtended strand (participates in β ladder)trans-94.1-55.6-179.1-60.4-65.3-63.600109.9Y56 R58 K61Y56-M63 WeakPolarHBondContact O-CB 3.23Å; Y56-M63 PolarHBondContact O-N 2.79Å; R58-M63 HydrophobicContact CB-CG 4.08Å; R58-M63 HydrophobicContact CB-SD 3.91Å; K61-M63 HydrophobicContact CD-SD 4.22Å; K61-M63 HydrophobicContact CG-SD 4.29Å; K61-M63 PolarHBondContact O-N 2.76Å
64Y96.3Very high96.4Very high74 Ų7470.8 Ų70.829%0.2934%0.339SS..EExtended strand (participates in β ladder)trans-167164175.964-83.4000110.2Y30 T31 Y56 H62 T66Y30-Y64 HydrophobicContact CD2-CD2 4.06Å; Y30-Y64 AromaticContact CD2-CG 3.9Å; Y30-Y64 HydrophobicContact CD2-CG 3.9Å; Y30-Y64 HydrophobicContact CE2-CD1 4.19Å; Y30-Y64 HydrophobicContact CE2-CD2 4.37Å; Y30-Y64 AromaticContact CE2-CG 3.75Å; Y30-Y64 HydrophobicContact CE2-CG 3.75Å; T31-Y64 VanDerWaalsContact O-CA 3.26Å; T31-Y64 WeakPolarHBondContact O-CA 3.08Å; T31-Y64 VanDerWaalsContact O-CB 3.23Å; T31-Y64 WeakPolarHBondContact O-CB 3.42Å; Y56-Y64 AromaticContact CD2-CD2 3.67Å; Y56-Y64 HydrophobicContact CD2-CD2 3.67Å; Y56-Y64 HydrophobicContact CD2-CE1 4.11Å; Y56-Y64 AromaticContact CD2-CE2 3.18Å; Y56-Y64 HydrophobicContact CD2-CE2 3.18Å; Y56-Y64 HydrophobicContact CD2-CG 4.31Å; Y56-Y64 AromaticContact CD2-CZ 3.42Å; Y56-Y64 VanDerWaalsContact CD2-CZ 3.42Å; Y56-Y64 HydrophobicContact CE2-CD2 4.16Å; Y56-Y64 AromaticContact CE2-CE2 3.4Å; Y56-Y64 HydrophobicContact CE2-CE2 3.4Å; Y56-Y64 VanDerWaalsContact CE2-CE2 3.4Å; Y56-Y64 AromaticContact CE2-CZ 3.82Å; Y56-Y64 HydrophobicContact CG-CD2 4.45Å; Y56-Y64 AromaticContact CG-CE1 3.96Å; Y56-Y64 HydrophobicContact CG-CE1 3.96Å; Y56-Y64 AromaticContact CG-CE2 3.87Å; Y56-Y64 HydrophobicContact CG-CE2 3.87Å; Y56-Y64 AromaticContact CG-CZ 3.58Å; Y56-Y64 PolarHBondContact N-O 2.04Å; H62-Y64 PolarHBondContact NE2-O 2.86Å; Y64-T66 HydrophobicContact CD2-CG2 4.39Å; Y64-T66 HydrophobicContact CE2-CG2 4.29Å
65S97.1Very high96.4Very high10 Ų1076.5 Ų76.57%0.0737%0.365CS..EExtended strand (participates in β ladder)trans-128.7155.4168.9-590000112.1T31 T54 A55 H62 H67T31-S65 PolarHBondContact N-O 3.22Å; T31-S65 VanDerWaalsContact N-O 3.1Å; T31-S65 WeakPolarHBondContact OG1-CA 3.41Å; T31-S65 WeakPolarHBondContact OG1-CB 3.38Å; T31-S65 PolarHBondContact OG1-N 2.8Å; T31-S65 PolarHBondContact OG1-O 2.79Å; T54-S65 CarbonylContact O-C 3.37Å; T54-S65 WeakPolarHBondContact O-CA 3.28Å; A55-S65 WeakPolarHBondContact CA-OG 3.5Å; A55-S65 VanDerWaalsContact CB-OG 3.27Å; A55-S65 WeakPolarHBondContact CB-OG 3.4Å; H62-S65 PolarHBondContact NE2-OG 2.83Å; S65-H67 WeakPolarHBondContact CB-NE2 3.27Å
66T97.6Very high96.4Very high22 Ų2279.7 Ų79.714%0.13538%0.378CS..EExtended strand (participates in β ladder)trans-116.2139.8169.769.10000110.1C28 I29 T53 T54 Y56 Y64C28-T66 CarbonylContact O-C 3.55Å; C28-T66 WeakPolarHBondContact O-CA 3.34Å; I29-T66 WeakPolarHBondContact O-CG2 3.46Å; T53-T66 CarbonylContact C-O 3.5Å; T53-T66 WeakPolarHBondContact CA-O 3.27Å; T54-T66 WeakPolarHBondContact CB-OG1 3.04Å; T54-T66 PolarHBondContact N-O 2.96Å; T54-T66 PolarHBondContact O-N 2.85Å; Y56-T66 HydrophobicContact CE2-CG2 4.3Å; Y64-T66 HydrophobicContact CD2-CG2 4.39Å; Y64-T66 HydrophobicContact CE2-CG2 4.29Å
67H98.3Very high96.5Very high7 Ų785.4 Ų85.43%0.03240%0.403CS..EExtended strand (participates in β ladder)trans-125.6129.1-176.1-59.2-112.8000108.9N26 T27 C28 S52 T53 S65 N96 I97N26-H67 CarbonylContact O-C 3.53Å; T27-H67 VanDerWaalsContact CA-O 3.29Å; T27-H67 WeakPolarHBondContact CA-O 3.37Å; C28-H67 HydrophobicContact CB-CB 4.12Å; C28-H67 PolarHBondContact N-O 3.12Å; C28-H67 PolarHBondContact O-N 3.36Å; S52-H67 WeakPolarHBondContact O-CA 3.41Å; T53-H67 PolarHBondContact OG1-ND1 3.45Å; S65-H67 WeakPolarHBondContact CB-NE2 3.27Å; H67-N96 PolarHBondContact ND1-O 3.28Å; H67-I97 PolarHBondContact CE1-O 2.03Å; H67-I97 VanDerWaalsContact CE1-O 3.23Å
68M98.1Very high96.5Very high83 Ų8388.4 Ų88.441%0.40941%0.414SS..EExtended strand (participates in β ladder)trans-163.3169.2-177.162.3-17865.800112.9S52 K70 N96S52-M68 PolarHBondContact N-O 2.89Å; S52-M68 PolarHBondContact O-N 3.21Å; S52-M68 VanDerWaalsContact O-N 3.12Å; M68-K70 HydrophobicContact CG-CB 4.35Å; M68-N96 PolarHBondContact N-ND2 3.34Å
69C98.3Very high96.5Very high18 Ų1884.6 Ų84.612%0.12241%0.412CS..EExtended strand (participates in β ladder)trans-75.3122.1156.5-61.80000107.5C25 C43 A45 E49 S50C25-C69 VanDerWaalsContact SG-SG 3.66Å; C43-C69 HydrophobicContact CB-CB 4.1Å; C43-C69 WeakPolarHBondContact CB-SG 3.45Å; C43-C69 WeakPolarHBondContact SG-CB 3.29Å; C43-C69 PolarHBondContact SG-N 3.13Å; C43-C69 CovalentContact SG-SG 2.04Å; C43-C69 PolarHBondContact SG-SG 2.84Å; A45-C69 HydrophobicContact CB-CB 4.48Å; E49-C69 HydrophobicContact CB-CB 4.46Å; S50-C69 CarbonylContact O-C 3.48Å; S50-C69 WeakPolarHBondContact O-CA 3.48Å
70K98.1Very high96.5Very high42 Ų4287.6 Ų87.618%0.18341%0.41CS..EExtended strand (participates in β ladder)trans-118.3122.2-175-175.7172.7-179.7-178.70110.3E49 S50 M68 K72 C73 E76 T87E49-K70 WeakPolarHBondContact CA-O 3.27Å; S50-K70 PolarHBondContact N-O 2.81Å; S50-K70 VanDerWaalsContact N-O 3.17Å; S50-K70 PolarHBondContact O-N 3.5Å; M68-K70 HydrophobicContact CG-CB 4.35Å; K70-K72 PolarHBondContact O-N 3.4Å; K70-C73 HydrophobicContact CB-CB 4.14Å; K70-C73 HydrophobicContact CD-CB 4.42Å; K70-C73 HydrophobicContact CG-CB 4.29Å; K70-C73 PolarHBondContact O-N 2.97Å; K70-E76 IonicContact NZ-OE1 3.7Å; K70-T87 HydrophobicContact CD-CG2 4.37Å
71Y97.8Very high96.7Very high131 Ų13190.6 Ų90.651%0.51441%0.408SS..EExtended strand (participates in β ladder)trans-62.3131.7172.7-178.4-103.5000111.1N48 C73N48-Y71 HydrophobicContact CB-CD2 4.11Å; N48-Y71 HydrophobicContact CB-CE2 3.75Å; Y71-C73 PolarHBondContact O-N 3.12Å
72K97Very high96.6Very high139 Ų13985.9 Ų85.960%0.60440%0.401SS*.THydrogen-bonded Turntrans44.452.2-177.2-69.1-177.4174.8169.50111.5N48 K70 K74N48-K72 HydrophobicContact CB-CG 4.46Å; N48-K72 PolarHBondContact O-N 2.93Å; K70-K72 PolarHBondContact O-N 3.4Å; K72-K74 PolarHBondContact O-N 2.94Å
73C97.9Very high96.7Very high28 Ų2886.1 Ų86.119%0.18940%0.404CS..  trans-56.2127.9179.1-164.60000110.1S50 S52 K70 Y71 C89S50-C73 WeakPolarHBondContact OG-CB 3.39Å; S52-C73 VanDerWaalsContact CB-SG 3.59Å; K70-C73 HydrophobicContact CB-CB 4.14Å; K70-C73 HydrophobicContact CD-CB 4.42Å; K70-C73 HydrophobicContact CG-CB 4.29Å; K70-C73 PolarHBondContact O-N 2.97Å; Y71-C73 PolarHBondContact O-N 3.12Å; C73-C89 HydrophobicContact CB-CB 3.83Å; C73-C89 WeakPolarHBondContact CB-SG 3.01Å; C73-C89 WeakPolarHBondContact SG-CB 3.45Å; C73-C89 CovalentContact SG-SG 2.03Å; C73-C89 PolarHBondContact SG-SG 3.45Å
74K97.5Very high96.8Very high155 Ų15584.8 Ų84.867%0.67440%0.398SS*.  trans-128.3134.8174.3-171.5178.3179.9179.50108.5K72 E76 T87 C89K72-K74 PolarHBondContact O-N 2.94Å; K74-E76 PolarHBondContact O-N 3.04Å; K74-T87 WeakPolarHBondContact O-CG2 3.23Å; K74-C89 PolarHBondContact N-SG 3.43Å
75E97.9Very high96.9Very high125 Ų12584.7 Ų84.758%0.58440%0.397SS*.  trans-66.6123.9170.9-61-164.5142.200109.2T87 C89E75-T87 WeakPolarHBondContact CA-O 3.48Å; E75-C89 HydrophobicContact CG-CB 4.29Å
76E97.3Very high96.9Very high78 Ų7885.9 Ų85.936%0.36440%0.404SS..EExtended strand (participates in β ladder)trans-146.5146.2-175.857.4177.2-17200111K70 K74 R85 V86 T87K70-E76 IonicContact NZ-OE1 3.7Å; K74-E76 PolarHBondContact O-N 3.04Å; E76-R85 IonicContact OE1-CZ 3.57Å; E76-R85 IonicContact OE1-NH1 3.23Å; E76-R85 PolarHBondContact OE1-NH1 2.83Å; E76-R85 IonicContact OE1-NH2 3.45Å; E76-R85 PolarHBondContact OE1-NH2 2.77Å; E76-V86 WeakPolarHBondContact O-CA 3.35Å; E76-T87 HydrophobicContact CG-CG2 4.43Å; E76-T87 PolarHBondContact N-O 3.23Å; E76-T87 PolarHBondContact O-N 2.84Å
77K97.4Very high96.9Very high162 Ų16284.9 Ų84.970%0.70440%0.398SS*.EExtended strand (participates in β ladder)trans-125.4120174.8-173.1177.5178.6179.70108.2L84 R85 V86K77-L84 HydrophobicContact CD-CD1 4.14Å; K77-L84 VanDerWaalsContact CE-CD1 3.44Å; K77-L84 HydrophobicContact CG-CD1 3.6Å; K77-R85 WeakPolarHBondContact CA-O 3.36Å; K77-V86 HydrophobicContact CG-CG2 4.36Å
78Y96.4Very high96.9Very high118 Ų11888.9 Ų88.946%0.46342%0.419SS..EExtended strand (participates in β ladder)trans-127.7134.1-178.9179.7-103000110.4K80 L84 R85Y78-K80 HydrophobicContact CD1-CB 4.43Å; Y78-K80 HydrophobicContact CE1-CB 3.51Å; Y78-K80 HydrophobicContact CE1-CD 4.28Å; Y78-K80 HydrophobicContact CE1-CG 4.44Å; Y78-K80 WeakPolarHBondContact OH-CD 3.19Å; Y78-L84 CarbonylContact O-C 3.51Å; Y78-R85 PolarHBondContact N-O 2.79Å; Y78-R85 PolarHBondContact O-N 3.25Å
79S96.1Very high96.9Very high82 Ų8286.4 Ų86.457%0.57341%0.41SS*.EExtended strand (participates in β ladder)trans-126.2130.1176.2-169.60000110.9L83S79-L83 WeakPolarHBondContact CA-O 3.27Å
80K94.1Very high96.9Very high118 Ų11887.3 Ų87.351%0.51342%0.416SS..EExtended strand (participates in β ladder)trans-147.4130.9175.5-170.7-174.6-162.2167.80110.3Y78 G82 L83Y78-K80 HydrophobicContact CD1-CB 4.43Å; Y78-K80 HydrophobicContact CE1-CB 3.51Å; Y78-K80 HydrophobicContact CE1-CD 4.28Å; Y78-K80 HydrophobicContact CE1-CG 4.44Å; Y78-K80 WeakPolarHBondContact OH-CD 3.19Å; K80-G82 PolarHBondContact O-N 3.32Å; K80-G82 VanDerWaalsContact O-N 3.17Å; K80-L83 PolarHBondContact N-O 2.83Å; K80-L83 WeakPolarHBondContact O-CB 3.41Å; K80-L83 PolarHBondContact O-N 2.79Å
81R93.6Very high96.8Very high237 Ų23791.5 Ų91.589%0.89444%0.44SS*.THydrogen-bonded Turntrans49.442.1175.9-64.7176.8179.7-177.4-1.2112.9L83R81-L83 PolarHBondContact O-N 2.82Å
82G92.4Very high96.7Very high49 Ų4994.4 Ų94.451%0.50545%0.45SS..THydrogen-bonded Turntrans74.13179.900000115.8K80K80-G82 PolarHBondContact O-N 3.32Å; K80-G82 VanDerWaalsContact O-N 3.17Å
83L96.2Very high96.7Very high63 Ų6392 Ų9233%0.3344%0.444SS..EExtended strand (participates in β ladder)trans-96.2118.5170.2-172.371.7000109.1Y56 F57 S79 K80 R81Y56-L83 HydrophobicContact CD1-CD2 4.16Å; Y56-L83 HydrophobicContact CD1-CG 4.45Å; F57-L83 WeakPolarHBondContact O-CA 3.38Å; S79-L83 WeakPolarHBondContact CA-O 3.27Å; K80-L83 PolarHBondContact N-O 2.83Å; K80-L83 WeakPolarHBondContact O-CB 3.41Å; K80-L83 PolarHBondContact O-N 2.79Å; R81-L83 PolarHBondContact O-N 2.82Å
84L97.6Very high96.6Very high39 Ų3994.7 Ų94.720%0.20445%0.452CS..EExtended strand (participates in β ladder)trans-97.6123.9173.1171.767.6000109.2Y56 F57 K77 Y78 V86Y56-L84 CarbonylContact C-O 3.58Å; Y56-L84 WeakPolarHBondContact CA-O 3.42Å; F57-L84 HydrophobicContact CB-CB 4.17Å; F57-L84 HydrophobicContact CB-CD2 4.42Å; F57-L84 HydrophobicContact CD2-CD2 4.38Å; F57-L84 HydrophobicContact CD2-CG 4.48Å; F57-L84 PolarHBondContact N-O 3.17Å; F57-L84 PolarHBondContact O-N 2.85Å; K77-L84 HydrophobicContact CD-CD1 4.14Å; K77-L84 VanDerWaalsContact CE-CD1 3.44Å; K77-L84 HydrophobicContact CG-CD1 3.6Å; Y78-L84 CarbonylContact O-C 3.51Å; L84-V86 HydrophobicContact CD1-CG2 4.32Å; L84-V86 HydrophobicContact CD2-CG2 4.2Å; L84-V86 HydrophobicContact CG-CG2 4.03Å
85R97.5Very high96.6Very high72 Ų7289.1 Ų89.127%0.27243%0.432SS..EExtended strand (participates in β ladder)trans-109127173.1179.8-176175.1-130.2-5.7108.7T54 A55 Y56 E76 K77 Y78T54-R85 HydrophobicContact CG2-CG 3.69Å; A55-R85 CarbonylContact O-C 3.51Å; A55-R85 WeakPolarHBondContact O-CA 3.2Å; Y56-R85 HydrophobicContact CD1-CB 4.19Å; Y56-R85 HydrophobicContact CD1-CG 4.22Å; Y56-R85 HydrophobicContact CE1-CB 4.15Å; Y56-R85 HydrophobicContact CE1-CG 3.79Å; E76-R85 IonicContact OE1-CZ 3.57Å; E76-R85 IonicContact OE1-NH1 3.23Å; E76-R85 PolarHBondContact OE1-NH1 2.83Å; E76-R85 IonicContact OE1-NH2 3.45Å; E76-R85 PolarHBondContact OE1-NH2 2.77Å; K77-R85 WeakPolarHBondContact CA-O 3.36Å; Y78-R85 PolarHBondContact N-O 2.79Å; Y78-R85 PolarHBondContact O-N 3.25Å
86V97.5Very high96.6Very high36 Ų3683.2 Ų83.222%0.21841%0.405CS..EExtended strand (participates in β ladder)trans-122.5123.7176.4-175.70000108.4T54 A55 F57 E76 K77 L84 L88T54-V86 CarbonylContact C-O 3.54Å; T54-V86 VanDerWaalsContact CA-O 3.27Å; T54-V86 WeakPolarHBondContact CA-O 3.21Å; A55-V86 PolarHBondContact N-O 2.8Å; A55-V86 PolarHBondContact O-N 2.94Å; F57-V86 HydrophobicContact CD2-CG2 4.33Å; F57-V86 HydrophobicContact CE2-CB 4.45Å; F57-V86 HydrophobicContact CE2-CG2 4.12Å; E76-V86 WeakPolarHBondContact O-CA 3.35Å; K77-V86 HydrophobicContact CG-CG2 4.36Å; L84-V86 HydrophobicContact CD1-CG2 4.32Å; L84-V86 HydrophobicContact CD2-CG2 4.2Å; L84-V86 HydrophobicContact CG-CG2 4.03Å; V86-L88 HydrophobicContact CG1-CD2 4.28Å; V86-L88 HydrophobicContact CG1-CG 4.34Å
87T98.3Very high96.3Very high1 Ų185.6 Ų85.61%0.00642%0.419CS..EExtended strand (participates in β ladder)trans-106.1130.5170.2-690000108.9T53 T54 K70 K74 E75 E76T53-T87 CarbonylContact O-C 3.59Å; T53-T87 WeakPolarHBondContact O-CA 3.44Å; T54-T87 PolarHBondContact OG1-OG1 3.47Å; K70-T87 HydrophobicContact CD-CG2 4.37Å; K74-T87 WeakPolarHBondContact O-CG2 3.23Å; E75-T87 WeakPolarHBondContact CA-O 3.48Å; E76-T87 HydrophobicContact CG-CG2 4.43Å; E76-T87 PolarHBondContact N-O 3.23Å; E76-T87 PolarHBondContact O-N 2.84Å
88L98.1Very high95.6Very high91 Ų9180.3 Ų80.348%0.47640%0.396SS..EExtended strand (participates in β ladder)trans-115.9150171.4-60.5174.3000109.4S52 T53 V86S52-L88 VanDerWaalsContact CA-O 3.27Å; S52-L88 WeakPolarHBondContact CA-O 3.33Å; S52-L88 PolarHBondContact OG-O 3.06Å; S52-L88 VanDerWaalsContact OG-O 3.04Å; T53-L88 PolarHBondContact N-O 2.94Å; T53-L88 VanDerWaalsContact N-O 3.11Å; T53-L88 PolarHBondContact O-N 3.27Å; V86-L88 HydrophobicContact CG1-CD2 4.28Å; V86-L88 HydrophobicContact CG1-CG 4.34Å
89C98.3Very high95.6Very high31 Ų3178.5 Ų78.521%0.20939%0.393CS..EExtended strand (participates in β ladder)trans-127.7143.3-179.3-56.10000109.6C51 C73 K74 E75C51-C89 WeakPolarHBondContact O-CA 3.35Å; C73-C89 HydrophobicContact CB-CB 3.83Å; C73-C89 WeakPolarHBondContact CB-SG 3.01Å; C73-C89 WeakPolarHBondContact SG-CB 3.45Å; C73-C89 CovalentContact SG-SG 2.03Å; C73-C89 PolarHBondContact SG-SG 3.45Å; K74-C89 PolarHBondContact N-SG 3.43Å; E75-C89 HydrophobicContact CG-CB 4.29Å
90C97.8Very high95.6Very high37 Ų3778.3 Ų78.325%0.2538%0.383CS..EExtended strand (participates in β ladder)trans-152.7158175.658.30000111.4C51 C95C51-C90 WeakPolarHBondContact CB-O 3.12Å; C51-C90 PolarHBondContact N-O 3.17Å; C51-C90 VanDerWaalsContact N-O 3.08Å; C51-C90 PolarHBondContact O-N 3.09Å; C90-C95 VanDerWaalsContact C-SG 3.51Å; C90-C95 HydrophobicContact CB-CB 3.78Å; C90-C95 WeakPolarHBondContact CB-SG 3.35Å; C90-C95 VanDerWaalsContact SG-C 3.56Å; C90-C95 WeakPolarHBondContact SG-CB 3.23Å; C90-C95 CovalentContact SG-SG 2.01Å; C90-C95 PolarHBondContact SG-SG 3.37Å
91D95.9Very high95.6Very high129 Ų12976.1 Ų76.169%0.6938%0.376SS*.  trans-125.321.9-165.964.5-16.1000113.2
92R95.5Very high95.8Very high193 Ų19366.6 Ų66.673%0.72835%0.346SS*.SBendtrans-114.1148.4174.2-60.5-178.5-172.9-174.80.5110.7F94 C95R92-F94 PolarHBondContact O-N 3.4Å; R92-C95 HydrophobicContact CB-CB 4.1Å; R92-C95 VanDerWaalsContact O-CB 3.24Å; R92-C95 WeakPolarHBondContact O-CB 3.26Å; R92-C95 PolarHBondContact O-N 3.22Å; R92-C95 VanDerWaalsContact O-N 3.13Å; R92-C95 PolarHBondContact O-SG 2.81Å
93N96.7Very high96Very high89 Ų8967.7 Ų67.748%0.47634%0.336SS..THydrogen-bonded Turntrans-53.7127.8179-73.7-35.8000111.4K24 C95K24-N93 PolarHBondContact N-OD1 3.45Å; K24-N93 CarbonylContact O-C 3.56Å; K24-N93 WeakPolarHBondContact O-CA 3.2Å; N93-C95 PolarHBondContact O-N 2.97Å; N93-C95 VanDerWaalsContact O-N 3.17Å
94F97.3Very high96Very high83 Ų8368 Ų6836%0.36434%0.336SS..THydrogen-bonded Turntrans56.823.9178.2-52.8-71.5000115K24 N26 T42 R92 N96 I97K24-F94 HydrophobicContact CB-CD1 4.42Å; K24-F94 HydrophobicContact CB-CE1 3.87Å; K24-F94 HydrophobicContact CB-CE2 4Å; K24-F94 HydrophobicContact CB-CZ 3.63Å; K24-F94 HydrophobicContact CD-CE2 4.16Å; K24-F94 HydrophobicContact CD-CZ 3.8Å; K24-F94 HydrophobicContact CG-CZ 4.35Å; K24-F94 PolarHBondContact O-N 2.94Å; N26-F94 PolarHBondContact ND2-O 3.18Å; N26-F94 WeakPolarHBondContact OD1-CD1 3.37Å; T42-F94 HydrophobicContact CG2-CE1 3.61Å; T42-F94 HydrophobicContact CG2-CZ 4.18Å; R92-F94 PolarHBondContact O-N 3.4Å; F94-N96 PolarHBondContact O-N 3.1Å; F94-I97 VanDerWaalsContact O-CG1 3.28Å; F94-I97 WeakPolarHBondContact O-CG1 3.46Å
95C97.3Very high95.8Very high38 Ų3870.1 Ų70.126%0.25735%0.345SS..  trans-66.2-22.5-177.560.70000114.4C51 C90 R92 N93 I97C51-C95 WeakPolarHBondContact CB-SG 3.26Å; C90-C95 VanDerWaalsContact C-SG 3.51Å; C90-C95 HydrophobicContact CB-CB 3.78Å; C90-C95 WeakPolarHBondContact CB-SG 3.35Å; C90-C95 VanDerWaalsContact SG-C 3.56Å; C90-C95 WeakPolarHBondContact SG-CB 3.23Å; C90-C95 CovalentContact SG-SG 2.01Å; C90-C95 PolarHBondContact SG-SG 3.37Å; R92-C95 HydrophobicContact CB-CB 4.1Å; R92-C95 VanDerWaalsContact O-CB 3.24Å; R92-C95 WeakPolarHBondContact O-CB 3.26Å; R92-C95 PolarHBondContact O-N 3.22Å; R92-C95 VanDerWaalsContact O-N 3.13Å; R92-C95 PolarHBondContact O-SG 2.81Å; N93-C95 PolarHBondContact O-N 2.97Å; N93-C95 VanDerWaalsContact O-N 3.17Å; C95-I97 PolarHBondContact O-N 3.34Å
96N97.1Very high95.7Very high2 Ų269.9 Ų69.91%0.01135%0.351CS..SBendtrans-84.463.9178.666.4-31.2000111.3N26 C51 S52 T53 H67 M68 F94N26-N96 PolarHBondContact N-OD1 3.4Å; N26-N96 PolarHBondContact ND2-O 2.85Å; N26-N96 PolarHBondContact O-ND2 3.15Å; C51-N96 HydrophobicContact CB-CB 4.06Å; S52-N96 PolarHBondContact O-ND2 3.23Å; S52-N96 VanDerWaalsContact O-ND2 3.13Å; T53-N96 WeakPolarHBondContact OG1-CB 3.01Å; H67-N96 PolarHBondContact ND1-O 3.28Å; M68-N96 PolarHBondContact N-ND2 3.34Å; F94-N96 PolarHBondContact O-N 3.1Å
97I90.5Very high95.6Very high127 Ų12772.8 Ų72.865%0.65136%0.362SS*.  trans-71.3145-177.3-55168.6000109.8H67 F94 C95H67-I97 PolarHBondContact CE1-O 2.03Å; H67-I97 VanDerWaalsContact CE1-O 3.23Å; F94-I97 VanDerWaalsContact O-CG1 3.28Å; F94-I97 WeakPolarHBondContact O-CG1 3.46Å; C95-I97 PolarHBondContact O-N 3.34Å
98F84.1Confident95.3Very high52 Ų5279.3 Ų79.323%0.22840%0.395CS..  trans-100.70169.547-101.4000110.3N26 T31 W34 C36N26-F98 HydrophobicContact CB-CE1 4.42Å; T31-F98 HydrophobicContact CG2-CB 3.72Å; T31-F98 HydrophobicContact CG2-CG 4.39Å; W34-F98 VanDerWaalsContact CA-OXT 3.23Å; W34-F98 WeakPolarHBondContact CA-OXT 3.34Å; W34-F98 WeakPolarHBondContact O-CD2 2.98Å; C36-F98 HydrophobicContact CB-CD1 4.3Å; C36-F98 HydrophobicContact CB-CE1 4.14Å; C36-F98 HydrophobicContact CB-CE2 4.36Å; C36-F98 HydrophobicContact CB-CG 4.49Å; C36-F98 HydrophobicContact CB-CZ 4.16Å

Retrieved 98 of 98 residues in 66.7 ms (Link to these results)

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