CH10_ECOLI Loading...

Co-chaperonin GroES

Together with the chaperonin GroEL, plays an essential role in assisting protein folding1,2,3,4,5,6,7,8,9. The GroEL-GroES system forms a nano-cage that allows encapsulation of the non-native substrate proteins and provides a physical environment optimized to promote and accelerate protein folding, probably by preventing aggregation and by entropically destabilizing folding intermediates10,11,12,13,14. GroES binds to the apical surface of the GroEL ring, thereby capping the opening of the GroEL channel15. Regulates the ATPase activity of GroEL16,17. (Microbial infection) Essential for the assembly of several bacteriophages.

AlphaFold DB , UniProt , Accession P0A6F9, Species ECOLI (Escherichia coli (strain K12)), Gene groES, Length 97 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M66.9Low91.4Very high96 Ų9675.5 Ų75.547%0.47335%0.352SS..  0115.90-150.5-171-163.800108.9I3 I11 L41 I78 D79 V83M1-I3 HydrophobicContact CE-CG2 3.81Å; M1-I3 HydrophobicContact CG-CG2 3.88Å; M1-I3 HydrophobicContact SD-CG2 3.79Å; M1-I11 HydrophobicContact CE-CG2 4.35Å; M1-L41 HydrophobicContact SD-CD1 4.04Å; M1-I78 HydrophobicContact CE-CB 3.67Å; M1-I78 HydrophobicContact CE-CD1 3.68Å; M1-I78 HydrophobicContact CE-CG1 4.26Å; M1-I78 HydrophobicContact CE-CG2 3.75Å; M1-I78 HydrophobicContact CG-CG2 4.14Å; M1-D79 WeakPolarHBondContact CA-OD2 3.32Å; M1-V83 HydrophobicContact CE-CB 4.42Å; M1-V83 HydrophobicContact CE-CG1 3.67Å; M1-V83 HydrophobicContact CE-CG2 4.03Å
2N80.2Confident91.8Very high174 Ų17469.2 Ų69.293%0.9332%0.323SS*.  trans-112.252.8180-72.9-21.5000110.8
3I90.3Very high92Very high62 Ų6269.9 Ų69.932%0.31833%0.325SS..  trans-112.1134.2177.6-171165.1000110.5M1 I11 I78M1-I3 HydrophobicContact CE-CG2 3.81Å; M1-I3 HydrophobicContact CG-CG2 3.88Å; M1-I3 HydrophobicContact SD-CG2 3.79Å; I3-I11 HydrophobicContact CB-CD1 4.18Å; I3-I11 HydrophobicContact CD1-CD1 3.7Å; I3-I11 HydrophobicContact CG1-CD1 3.73Å; I3-I11 HydrophobicContact CG2-CD1 3.41Å; I3-I11 VanDerWaalsContact CG2-CD1 3.41Å; I3-I78 HydrophobicContact CB-CD1 4.49Å; I3-I78 HydrophobicContact CD1-CD1 3.32Å; I3-I78 HydrophobicContact CG1-CD1 4.46Å; I3-I78 HydrophobicContact CG2-CD1 4.27Å
4R93Very high92Very high159 Ų15969.1 Ų69.160%0.632%0.317SS*.  trans-116.4112.9176.2-176.6178.363.884.91.6108.9
5P95.7Very high91.7Very high8 Ų871 Ų715%0.05232%0.324CS..  trans-61150.6173.2-15.126.4000111.3R9 I11 A42P5-R9 HydrophobicContact CB-CB 3.91Å; P5-R9 WeakPolarHBondContact CB-O 3.46Å; P5-I11 HydrophobicContact CG-CD1 3.77Å; P5-I11 HydrophobicContact CG-CG1 3.84Å; P5-A42 HydrophobicContact CG-CB 3.77Å
6L95.8Very high90.8Very high88 Ų8879.1 Ų79.146%0.46136%0.362SS..  trans-96.5146.7176.3-60.6-179000110.6D8 R9L6-D8 PolarHBondContact O-N 3.1Å; L6-R9 WeakPolarHBondContact O-CB 3.41Å; L6-R9 VanDerWaalsContact O-CG 3.25Å; L6-R9 WeakPolarHBondContact O-CG 3.2Å; L6-R9 PolarHBondContact O-N 3.37Å
7H95.8Very high89.4Confident98 Ų9877.9 Ų77.945%0.45436%0.362SS..THydrogen-bonded Turntrans53.7-126.9175.6-48-65.5000112.4R9 G44 N45 G46 I48H7-R9 VanDerWaalsContact C-N 3.28Å; H7-R9 PolarHBondContact O-N 3.38Å; H7-G44 CarbonylContact O-C 3.51Å; H7-G44 VanDerWaalsContact O-C 3.23Å; H7-G44 VanDerWaalsContact O-CA 3.22Å; H7-G44 WeakPolarHBondContact O-CA 3.33Å; H7-N45 PolarHBondContact O-N 2.9Å; H7-G46 CarbonylContact C-O 3.59Å; H7-G46 VanDerWaalsContact CA-O 3.26Å; H7-G46 WeakPolarHBondContact CA-O 3.41Å; H7-G46 PolarHBondContact O-N 2.79Å; H7-I48 WeakPolarHBondContact ND1-CD1 3.49Å
8D96.2Very high88.1Confident25 Ų2581.8 Ų81.813%0.13438%0.381CS..THydrogen-bonded Turntrans-92.320.8178.764.4-14.9000113.4L6 G46 R47 L57 S87 E88L6-D8 PolarHBondContact O-N 3.1Å; D8-G46 PolarHBondContact N-O 3.17Å; D8-R47 HydrophobicContact CB-CB 4.16Å; D8-R47 IonicContact OD2-CZ 3.34Å; D8-R47 IonicContact OD2-NE 3.07Å; D8-R47 PolarHBondContact OD2-NE 3.23Å; D8-R47 VanDerWaalsContact OD2-NE 3.07Å; D8-R47 IonicContact OD2-NH2 2.77Å; D8-R47 PolarHBondContact OD2-NH2 3.45Å; D8-L57 HydrophobicContact CB-CD2 3.68Å; D8-S87 CarbonylContact O-C 3.55Å; D8-E88 PolarHBondContact O-N 2.82Å
9R97.1Very high86.9Confident119 Ų11979.3 Ų79.345%0.44937%0.371SS..EExtended strand (participates in β ladder)trans-78.7147.4176.2-63.6179.9179.1-83.9-1.6111.4P5 L6 H7 G44 I85 M86P5-R9 HydrophobicContact CB-CB 3.91Å; P5-R9 WeakPolarHBondContact CB-O 3.46Å; L6-R9 WeakPolarHBondContact O-CB 3.41Å; L6-R9 VanDerWaalsContact O-CG 3.25Å; L6-R9 WeakPolarHBondContact O-CG 3.2Å; L6-R9 PolarHBondContact O-N 3.37Å; H7-R9 VanDerWaalsContact C-N 3.28Å; H7-R9 PolarHBondContact O-N 3.38Å; R9-G44 WeakPolarHBondContact O-CA 3.18Å; R9-G44 PolarHBondContact O-N 2.96Å; R9-I85 HydrophobicContact CB-CG2 4.49Å; R9-M86 CarbonylContact C-O 2.97Å; R9-M86 WeakPolarHBondContact CA-O 3.08Å
10V97.5Very high85.8Confident0 Ų082.4 Ų82.40%038%0.383CS..EExtended strand (participates in β ladder)trans-130.4139.3179.9-173.10000108.4V12 V40 V43 L57 V59 I85 M86 E88 I91V10-V12 HydrophobicContact CG1-CG2 3.9Å; V10-V40 HydrophobicContact CG1-CB 4.43Å; V10-V40 HydrophobicContact CG1-CG1 3.63Å; V10-V40 HydrophobicContact CG1-CG2 4.07Å; V10-V43 HydrophobicContact CG1-CG1 4.33Å; V10-L57 HydrophobicContact CG2-CD1 4.1Å; V10-V59 HydrophobicContact CG1-CG2 4.26Å; V10-V59 HydrophobicContact CG2-CG2 3.76Å; V10-I85 WeakPolarHBondContact O-CA 3.06Å; V10-M86 PolarHBondContact N-O 2.84Å; V10-M86 PolarHBondContact O-N 3.4Å; V10-E88 HydrophobicContact CG2-CB 4.38Å; V10-I91 HydrophobicContact CB-CD1 3.97Å; V10-I91 HydrophobicContact CG1-CD1 3.93Å; V10-I91 HydrophobicContact CG2-CD1 3.91Å
11I96.7Very high85Confident1 Ų180.1 Ų80.11%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-104124.9173.1-66.5170.8000108.3M1 I3 P5 L41 A42 V83 L84 I85M1-I11 HydrophobicContact CE-CG2 4.35Å; I3-I11 HydrophobicContact CB-CD1 4.18Å; I3-I11 HydrophobicContact CD1-CD1 3.7Å; I3-I11 HydrophobicContact CG1-CD1 3.73Å; I3-I11 HydrophobicContact CG2-CD1 3.41Å; I3-I11 VanDerWaalsContact CG2-CD1 3.41Å; P5-I11 HydrophobicContact CG-CD1 3.77Å; P5-I11 HydrophobicContact CG-CG1 3.84Å; I11-L41 HydrophobicContact CG2-CB 4.23Å; I11-L41 HydrophobicContact CG2-CD1 4.44Å; I11-L41 PolarHBondContact O-N 2.8Å; I11-A42 HydrophobicContact CB-CB 4.19Å; I11-A42 HydrophobicContact CD1-CB 4.35Å; I11-A42 PolarHBondContact N-O 3.04Å; I11-A42 PolarHBondContact O-N 3.03Å; I11-V83 HydrophobicContact CG2-CB 3.82Å; I11-V83 HydrophobicContact CG2-CG1 4.25Å; I11-V83 HydrophobicContact CG2-CG2 3.87Å; I11-L84 CarbonylContact C-O 3.54Å; I11-L84 VanDerWaalsContact CA-O 3.27Å; I11-L84 WeakPolarHBondContact CA-O 3.18Å; I11-I85 HydrophobicContact CG1-CG1 4.15Å; I11-I85 HydrophobicContact CG1-CG2 4.39Å
12V96.2Very high85.3Confident0 Ų081.4 Ų81.40%040%0.403CS..EExtended strand (participates in β ladder)trans-126.3133.4-173.9177.70000109.7V10 E39 V40 V65 F67 L84 M86V10-V12 HydrophobicContact CG1-CG2 3.9Å; V12-E39 CarbonylContact C-O 3.53Å; V12-E39 VanDerWaalsContact CA-O 3.3Å; V12-E39 WeakPolarHBondContact CA-O 3.36Å; V12-V40 HydrophobicContact CG2-CG2 4.31Å; V12-V65 HydrophobicContact CG1-CG2 4.15Å; V12-V65 HydrophobicContact CG2-CG2 4.08Å; V12-F67 HydrophobicContact CG1-CD1 4.28Å; V12-F67 HydrophobicContact CG1-CE1 4.04Å; V12-L84 HydrophobicContact CB-CB 4.47Å; V12-L84 PolarHBondContact N-O 2.93Å; V12-L84 PolarHBondContact O-N 3.42Å; V12-M86 HydrophobicContact CB-CE 4.26Å; V12-M86 HydrophobicContact CG2-CE 4.26Å; V12-M86 HydrophobicContact CG2-SD 4.42Å
13K94.6Very high85.2Confident79 Ų7976.3 Ų76.334%0.34339%0.392SS..EExtended strand (participates in β ladder)trans-92.4122.9167.4-169.9168.7-175162.30109.1K15 G38 E39 L41 E81K13-K15 PolarHBondContact O-N 3.09Å; K13-G38 CarbonylContact O-C 3.4Å; K13-G38 WeakPolarHBondContact O-CA 3.24Å; K13-E39 PolarHBondContact N-O 2.95Å; K13-E39 PolarHBondContact O-N 3.04Å; K13-L41 HydrophobicContact CB-CD1 3.85Å; K13-L41 HydrophobicContact CB-CD2 4.16Å; K13-L41 HydrophobicContact CB-CG 3.96Å; K13-L41 HydrophobicContact CD-CD1 4.45Å; K13-E81 VanDerWaalsContact NZ-CD 3.31Å; K13-E81 IonicContact NZ-OE1 3.39Å; K13-E81 PolarHBondContact NZ-OE1 2.84Å; K13-E81 IonicContact NZ-OE2 2.77Å; K13-E81 PolarHBondContact NZ-OE2 3.19Å
14R91.8Very high84.4Confident59 Ų5975.8 Ų75.822%0.22340%0.402CS..EExtended strand (participates in β ladder)trans-61.8137.3176.1-73.5-169.8175.3158.1-3.2110.3K34 F67 D69 L84R14-K34 VanDerWaalsContact NH1-CD 3.28Å; R14-F67 HydrophobicContact CG-CZ 4.07Å; R14-D69 IonicContact CZ-OD1 3.95Å; R14-D69 IonicContact CZ-OD2 3.61Å; R14-D69 IonicContact NH2-OD1 2.71Å; R14-D69 PolarHBondContact NH2-OD1 3.15Å; R14-D69 IonicContact NH2-OD2 2.8Å; R14-D69 PolarHBondContact NH2-OD2 2.77Å; R14-L84 HydrophobicContact CG-CD1 3.57Å; R14-L84 HydrophobicContact CG-CG 4Å
15K87.3Confident83.6Confident97 Ų9773.7 Ų73.742%0.42240%0.401SS..PPolyproline II helixtrans-82135.4165-77.8-168146.1176.30109.1K13 V17 S35 R37 I64K13-K15 PolarHBondContact O-N 3.09Å; K15-V17 PolarHBondContact O-N 2.81Å; K15-S35 WeakPolarHBondContact O-CB 3.32Å; K15-S35 PolarHBondContact O-OG 2.95Å; K15-R37 PolarHBondContact N-O 3.39Å; K15-I64 HydrophobicContact CD-CD1 4.22Å
16E77.1Confident82.3Confident200 Ų20076.3 Ų76.394%0.93542%0.417SS*.PPolyproline II helixtrans-63.5129.5169.4-67.7-175.9172.200109.1
17V68.2Low81Confident59 Ų5975.2 Ų75.236%0.35841%0.411SS..  trans-113.4116171.8173.90000106.6K15 T19 S35K15-V17 PolarHBondContact O-N 2.81Å; V17-T19 HydrophobicContact CG1-CG2 4.38Å; V17-T19 PolarHBondContact O-N 2.63Å; V17-S35 WeakPolarHBondContact CG2-OG 2.87Å
18E65.1Low79.5Confident149 Ų14976.3 Ų76.370%0.69643%0.425SS*.  trans-64.399165.9-66.2-172.5174.100108.1K20E18-K20 PolarHBondContact O-N 2.87Å
19T65.2Low77.9Confident33 Ų3377.9 Ų77.920%0.20245%0.447CS..EExtended strand (participates in β ladder)trans-80.4118.6174.323.70000108.3V17 L27 A32 A33V17-T19 HydrophobicContact CG1-CG2 4.38Å; V17-T19 PolarHBondContact O-N 2.63Å; T19-L27 WeakPolarHBondContact O-CB 3.36Å; T19-L27 PolarHBondContact O-N 3.43Å; T19-A32 VanDerWaalsContact OG1-CA 3.24Å; T19-A32 WeakPolarHBondContact OG1-CA 3.34Å; T19-A32 WeakPolarHBondContact OG1-CB 3.3Å; T19-A33 HydrophobicContact CG2-CB 4.2Å
20K65.7Low76.2Confident141 Ų14178.7 Ų78.761%0.61347%0.471SS*.EExtended strand (participates in β ladder)trans-91.2132.3168.8-66.7-179.2-178.4178.10108.6E18 I25 V26E18-K20 PolarHBondContact O-N 2.87Å; K20-I25 CarbonylContact C-O 3.59Å; K20-I25 WeakPolarHBondContact CA-O 3.44Å; K20-V26 HydrophobicContact CG-CG2 4.28Å
21S68.8Low74.5Confident36 Ų3682.1 Ų82.125%0.25250%0.499SS..PPolyproline II helixtrans-66166.4169.575.40000110.4G23 G24 I25S21-G23 PolarHBondContact O-N 3.02Å; S21-G23 PolarHBondContact OG-N 2.77Å; S21-G24 PolarHBondContact O-N 3.27Å; S21-I25 PolarHBondContact N-O 2.98Å; S21-I25 WeakPolarHBondContact OG-CB 3.17Å; S21-I25 PolarHBondContact OG-N 3.39Å; S21-I25 PolarHBondContact OG-O 3.37Å
22A72.2Confident73Confident122 Ų12283.1 Ų83.1100%1.00851%0.508SS*.THydrogen-bonded Turntrans-55.7-23175.600000113.3
23G79.7Confident71.7Confident68 Ų6886.4 Ų86.470%0.70154%0.535SS*.THydrogen-bonded Turntrans-88.47.4175.400000114.9S21 I25S21-G23 PolarHBondContact O-N 3.02Å; S21-G23 PolarHBondContact OG-N 2.77Å; G23-I25 VanDerWaalsContact C-N 3.27Å; G23-I25 PolarHBondContact O-N 2.85Å
24G73.7Confident70.9Confident51 Ų5189.2 Ų89.253%0.52655%0.547SS..SBendtrans77.95.3-178.800000115S21S21-G24 PolarHBondContact O-N 3.27Å
25I75.8Confident70.5Confident115 Ų11587 Ų8759%0.5954%0.54SS*.  trans-76.8125.4176.9-56.4172.1000108.3K20 S21 G23 L27K20-I25 CarbonylContact C-O 3.59Å; K20-I25 WeakPolarHBondContact CA-O 3.44Å; S21-I25 PolarHBondContact N-O 2.98Å; S21-I25 WeakPolarHBondContact OG-CB 3.17Å; S21-I25 PolarHBondContact OG-N 3.39Å; S21-I25 PolarHBondContact OG-O 3.37Å; G23-I25 VanDerWaalsContact C-N 3.27Å; G23-I25 PolarHBondContact O-N 2.85Å; I25-L27 PolarHBondContact O-N 2.88Å
26V68Low70.8Confident63 Ų6385.4 Ų85.438%0.38254%0.539SS..EExtended strand (participates in β ladder)trans-67117.2171.3-176.50000108.2K20 T28K20-V26 HydrophobicContact CG-CG2 4.28Å; V26-T28 HydrophobicContact CG1-CG2 3.85Å
27L68.2Low71.6Confident65 Ų6581.7 Ų81.734%0.3452%0.516SS..EExtended strand (participates in β ladder)trans-84.2110.9170.8-61.5175.4000107.4T19 I25T19-L27 WeakPolarHBondContact O-CB 3.36Å; T19-L27 PolarHBondContact O-N 3.43Å; I25-L27 PolarHBondContact O-N 2.88Å
28T63.7Low72.8Confident120 Ų12078.9 Ų78.974%0.73650%0.499SS*.  trans-104.3139.6175.456.90000110.2V26V26-T28 HydrophobicContact CG1-CG2 3.85Å
29G64Low74.3Confident59 Ų5975.5 Ų75.561%0.60848%0.484SS*.SBendtrans95.1-149.8173.500000114.6A31 A32G29-A31 PolarHBondContact O-N 2.84Å; G29-A31 VanDerWaalsContact O-N 3.17Å; G29-A32 VanDerWaalsContact O-CB 3.32Å; G29-A32 WeakPolarHBondContact O-CB 2.86Å; G29-A32 PolarHBondContact O-N 3.25Å; G29-A32 VanDerWaalsContact O-N 3.1Å
30S61.7Low75.8Confident135 Ų13574 Ų7494%0.94447%0.474SS*.THydrogen-bonded Turntrans-65.8-15-174.355.70000115.2
31A61.8Low77.2Confident72 Ų7269.5 Ų69.560%0.59546%0.457SS*.THydrogen-bonded Turntrans-82.7-13.8175.400000113.3G29G29-A31 PolarHBondContact O-N 2.84Å; G29-A31 VanDerWaalsContact O-N 3.17Å
32A63.7Low78.5Confident23 Ų2368.5 Ų68.519%0.1945%0.45CS..SBendtrans-71.6135.1172.800000109.7T19 G29 K34T19-A32 VanDerWaalsContact OG1-CA 3.24Å; T19-A32 WeakPolarHBondContact OG1-CA 3.34Å; T19-A32 WeakPolarHBondContact OG1-CB 3.3Å; G29-A32 VanDerWaalsContact O-CB 3.32Å; G29-A32 WeakPolarHBondContact O-CB 2.86Å; G29-A32 PolarHBondContact O-N 3.25Å; G29-A32 VanDerWaalsContact O-N 3.1Å; A32-K34 PolarHBondContact O-N 2.61Å
33A68.8Low79.7Confident68 Ų6864.9 Ų64.956%0.56242%0.416SS*.PPolyproline II helixtrans-58.3130.4170.500000108.8T19 S35T19-A33 HydrophobicContact CG2-CB 4.2Å; A33-S35 PolarHBondContact O-N 2.8Å
34K78.1Confident80.5Confident139 Ų13962 Ų6260%0.60439%0.386SS*.PPolyproline II helixtrans-55.9128.3174.5-76.5169.6166.4-174.60108.5R14 A32 T36R14-K34 VanDerWaalsContact NH1-CD 3.28Å; A32-K34 PolarHBondContact O-N 2.61Å; K34-T36 PolarHBondContact O-N 2.71Å
35S84.4Confident81.6Confident12 Ų1264.8 Ų64.88%0.08439%0.389CS..PPolyproline II helixtrans-61.1128.5178.81790000110.6K15 V17 A33 R37 F67K15-S35 WeakPolarHBondContact O-CB 3.32Å; K15-S35 PolarHBondContact O-OG 2.95Å; V17-S35 WeakPolarHBondContact CG2-OG 2.87Å; A33-S35 PolarHBondContact O-N 2.8Å; S35-R37 PolarHBondContact OG-N 3.35Å; S35-R37 PolarHBondContact OG-O 2.82Å; S35-F67 WeakPolarHBondContact O-CZ 3.22Å
36T92.2Very high82.5Confident64 Ų6459.4 Ų59.439%0.39336%0.361SS..SBendtrans-86.411168.552.60000111.9K34 I66 F67 D69K34-T36 PolarHBondContact O-N 2.71Å; T36-I66 WeakPolarHBondContact O-CA 3.27Å; T36-F67 WeakPolarHBondContact CB-O 3.02Å; T36-F67 WeakPolarHBondContact O-CD1 3.36Å; T36-F67 PolarHBondContact O-N 2.82Å; T36-D69 HydrophobicContact CG2-CB 4.36Å
37R93.8Very high83.8Confident121 Ų12161.9 Ų61.946%0.45736%0.364SS..EExtended strand (participates in β ladder)trans-112.5140.6173.6-65.9-171.4179105.6-2.2110.9K15 S35 V65 I66K15-R37 PolarHBondContact N-O 3.39Å; S35-R37 PolarHBondContact OG-N 3.35Å; S35-R37 PolarHBondContact OG-O 2.82Å; R37-V65 VanDerWaalsContact CA-O 3.28Å; R37-V65 WeakPolarHBondContact CA-O 3.35Å; R37-I66 HydrophobicContact CG-CG1 4.21Å
38G95.2Very high85Confident0 Ų063.3 Ų63.30%037%0.371CS..EExtended strand (participates in β ladder)trans-158.1167.6176.800000113.3K13 I64 V65K13-G38 CarbonylContact O-C 3.4Å; K13-G38 WeakPolarHBondContact O-CA 3.24Å; G38-I64 CarbonylContact O-C 3.54Å; G38-I64 WeakPolarHBondContact O-CA 3.42Å; G38-V65 PolarHBondContact N-O 3.44Å; G38-V65 PolarHBondContact O-N 2.78Å
39E96Very high86.5Confident79 Ų7960.9 Ų60.937%0.36935%0.353SS..EExtended strand (participates in β ladder)trans-100.3131.7176.8-177178159.800109.9V12 K13 L41 D63 I64V12-E39 CarbonylContact C-O 3.53Å; V12-E39 VanDerWaalsContact CA-O 3.3Å; V12-E39 WeakPolarHBondContact CA-O 3.36Å; K13-E39 PolarHBondContact N-O 2.95Å; K13-E39 PolarHBondContact O-N 3.04Å; E39-L41 PolarHBondContact O-N 2.83Å; E39-D63 WeakPolarHBondContact CA-O 3.46Å; E39-I64 HydrophobicContact CB-CD1 3.73Å; E39-I64 HydrophobicContact CG-CD1 3.93Å
40V96.7Very high87.9Confident0 Ų068.2 Ų68.20%037%0.372CS..EExtended strand (participates in β ladder)trans-73.5117.1177.6177.90000109.7V10 V12 V43 K60 G62 D63 V65V10-V40 HydrophobicContact CG1-CB 4.43Å; V10-V40 HydrophobicContact CG1-CG1 3.63Å; V10-V40 HydrophobicContact CG1-CG2 4.07Å; V12-V40 HydrophobicContact CG2-CG2 4.31Å; V40-V43 HydrophobicContact CG1-CG1 3.52Å; V40-K60 VanDerWaalsContact CB-O 3.29Å; V40-K60 WeakPolarHBondContact CB-O 3.48Å; V40-K60 WeakPolarHBondContact CG1-O 3.28Å; V40-G62 PolarHBondContact O-N 2.81Å; V40-D63 HydrophobicContact CG2-CB 4.25Å; V40-D63 PolarHBondContact N-O 3.07Å; V40-V65 HydrophobicContact CG2-CG1 3.7Å; V40-V65 HydrophobicContact CG2-CG2 3.97Å
41L95.6Very high89.5Confident48 Ų4866.7 Ų66.725%0.25135%0.353SS..EExtended strand (participates in β ladder)trans-92.9-33.4177.7-61.3-174.8000112.9M1 I11 K13 E39 V83M1-L41 HydrophobicContact SD-CD1 4.04Å; I11-L41 HydrophobicContact CG2-CB 4.23Å; I11-L41 HydrophobicContact CG2-CD1 4.44Å; I11-L41 PolarHBondContact O-N 2.8Å; K13-L41 HydrophobicContact CB-CD1 3.85Å; K13-L41 HydrophobicContact CB-CD2 4.16Å; K13-L41 HydrophobicContact CB-CG 3.96Å; K13-L41 HydrophobicContact CD-CD1 4.45Å; E39-L41 PolarHBondContact O-N 2.83Å; L41-V83 HydrophobicContact CD1-CG1 3.84Å
42A96Very high91Very high14 Ų1465.9 Ų65.912%0.11635%0.352CS..EExtended strand (participates in β ladder)trans-153.8146179.600000110.8P5 I11P5-A42 HydrophobicContact CG-CB 3.77Å; I11-A42 HydrophobicContact CB-CB 4.19Å; I11-A42 HydrophobicContact CD1-CB 4.35Å; I11-A42 PolarHBondContact N-O 3.04Å; I11-A42 PolarHBondContact O-N 3.03Å
43V97.1Very high92.6Very high46 Ų4670.7 Ų70.728%0.27937%0.37SS..EExtended strand (participates in β ladder)trans-120.6143.5177.8-61.90000109.7V10 V40 L57 V59 V61V10-V43 HydrophobicContact CG1-CG1 4.33Å; V40-V43 HydrophobicContact CG1-CG1 3.52Å; V43-L57 HydrophobicContact CB-CD1 4.05Å; V43-V59 HydrophobicContact CG1-CG2 4.06Å; V43-V61 HydrophobicContact CG1-CG2 4.48Å; V43-V61 HydrophobicContact CG2-CG2 4.35Å
44G96.8Very high93.9Very high8 Ų871 Ų718%0.08237%0.365CS..  trans-73.9179.317200000111.9H7 R9 G46H7-G44 CarbonylContact O-C 3.51Å; H7-G44 VanDerWaalsContact O-C 3.23Å; H7-G44 VanDerWaalsContact O-CA 3.22Å; H7-G44 WeakPolarHBondContact O-CA 3.33Å; R9-G44 WeakPolarHBondContact O-CA 3.18Å; R9-G44 PolarHBondContact O-N 2.96Å; G44-G46 PolarHBondContact O-N 3.31Å
45N95.4Very high94.7Very high110 Ų11069.3 Ų69.359%0.58836%0.358SS*.SBendtrans-70.7-18.9-177.1-67.1-9.9000113.4H7 V54H7-N45 PolarHBondContact O-N 2.9Å; N45-V54 WeakPolarHBondContact O-CG1 3.45Å
46G96.1Very high95.2Very high1 Ų173 Ų731%0.0138%0.381CS..  trans122.2174.1-171.500000113.8H7 D8 G44 K55H7-G46 CarbonylContact C-O 3.59Å; H7-G46 VanDerWaalsContact CA-O 3.26Å; H7-G46 WeakPolarHBondContact CA-O 3.41Å; H7-G46 PolarHBondContact O-N 2.79Å; D8-G46 PolarHBondContact N-O 3.17Å; G44-G46 PolarHBondContact O-N 3.31Å; G46-K55 CarbonylContact C-O 3.41Å; G46-K55 WeakPolarHBondContact CA-O 3.35Å
47R94.9Very high95.4Very high115 Ų11571 Ų7143%0.43437%0.368SS..EExtended strand (participates in β ladder)trans-81.7127.7177-179.7169.9-71.9-146.6-0.4110.2D8 L49 V54 K55D8-R47 HydrophobicContact CB-CB 4.16Å; D8-R47 IonicContact OD2-CZ 3.34Å; D8-R47 IonicContact OD2-NE 3.07Å; D8-R47 PolarHBondContact OD2-NE 3.23Å; D8-R47 VanDerWaalsContact OD2-NE 3.07Å; D8-R47 IonicContact OD2-NH2 2.77Å; D8-R47 PolarHBondContact OD2-NH2 3.45Å; R47-L49 PolarHBondContact O-N 3.45Å; R47-V54 CarbonylContact O-C 3.59Å; R47-V54 WeakPolarHBondContact O-CA 3.15Å; R47-K55 PolarHBondContact N-O 2.94Å; R47-K55 PolarHBondContact O-N 2.88Å
48I93.7Very high95.6Very high96 Ų9670.6 Ų70.649%0.49238%0.375SS..EExtended strand (participates in β ladder)trans-75.5121.1171.4-57.5173.1000107.8H7 V54H7-I48 WeakPolarHBondContact ND1-CD1 3.49Å; I48-V54 HydrophobicContact CG1-CG2 4.47Å
49L94.3Very high95.7Very high68 Ų6870.9 Ų70.936%0.35638%0.377SS..PPolyproline II helixtrans-82.5163.1176.5-60.3-177.8000110.5R47 N51 G52 E53 K55R47-L49 PolarHBondContact O-N 3.45Å; L49-N51 WeakPolarHBondContact CB-OD1 3.43Å; L49-N51 PolarHBondContact O-N 3.06Å; L49-N51 VanDerWaalsContact O-N 3.16Å; L49-G52 PolarHBondContact O-N 3.09Å; L49-E53 WeakPolarHBondContact CB-O 3.38Å; L49-E53 HydrophobicContact CD1-CB 4.34Å; L49-E53 PolarHBondContact N-O 3.36Å; L49-K55 HydrophobicContact CD1-CB 4.3Å; L49-K55 HydrophobicContact CD2-CB 4.05Å; L49-K55 HydrophobicContact CG-CB 4.19Å
50E93.9Very high95.7Very high214 Ų21473.8 Ų73.8100%139%0.388SS*.THydrogen-bonded Turntrans-60.9-25.5179.8-64.2-177.217200113.1G52E50-G52 VanDerWaalsContact C-N 3.27Å; E50-G52 PolarHBondContact O-N 3.37Å
51N95.8Very high95.7Very high102 Ų10278.3 Ų78.355%0.54542%0.416SS..THydrogen-bonded Turntrans-80.5-1.9175.569.2-5.8000113.8L49 E53L49-N51 WeakPolarHBondContact CB-OD1 3.43Å; L49-N51 PolarHBondContact O-N 3.06Å; L49-N51 VanDerWaalsContact O-N 3.16Å; N51-E53 VanDerWaalsContact ND2-CD 3.25Å; N51-E53 PolarHBondContact ND2-OE2 2.81Å; N51-E53 VanDerWaalsContact OD1-CB 3.31Å; N51-E53 WeakPolarHBondContact OD1-CB 3.29Å; N51-E53 PolarHBondContact OD1-N 2.86Å
52G93.5Very high95.7Very high56 Ų5677.9 Ų77.958%0.57742%0.423SS*.SBendtrans86.4-3.6-177.700000115.1L49 E50L49-G52 PolarHBondContact O-N 3.09Å; E50-G52 VanDerWaalsContact C-N 3.27Å; E50-G52 PolarHBondContact O-N 3.37Å
53E95.7Very high95.8Very high123 Ų12379.2 Ų79.258%0.57543%0.428SS*.  trans-75.1156.9173.7-64.5178.7159.200111.2L49 N51L49-E53 WeakPolarHBondContact CB-O 3.38Å; L49-E53 HydrophobicContact CD1-CB 4.34Å; L49-E53 PolarHBondContact N-O 3.36Å; N51-E53 VanDerWaalsContact ND2-CD 3.25Å; N51-E53 PolarHBondContact ND2-OE2 2.81Å; N51-E53 VanDerWaalsContact OD1-CB 3.31Å; N51-E53 WeakPolarHBondContact OD1-CB 3.29Å; N51-E53 PolarHBondContact OD1-N 2.86Å
54V95.9Very high95.8Very high76 Ų7678.7 Ų78.746%0.46142%0.423SS..EExtended strand (participates in β ladder)trans-105.6112.3176.8-177.50000108.7N45 R47 I48 P56N45-V54 WeakPolarHBondContact O-CG1 3.45Å; R47-V54 CarbonylContact O-C 3.59Å; R47-V54 WeakPolarHBondContact O-CA 3.15Å; I48-V54 HydrophobicContact CG1-CG2 4.47Å; V54-P56 WeakPolarHBondContact O-CD 3.47Å
55K95.2Very high95.8Very high102 Ų10278.3 Ų78.344%0.44342%0.42SS..EExtended strand (participates in β ladder)trans-73.6119168.5-174-169.5172-162.50108.2G46 R47 L49G46-K55 CarbonylContact C-O 3.41Å; G46-K55 WeakPolarHBondContact CA-O 3.35Å; R47-K55 PolarHBondContact N-O 2.94Å; R47-K55 PolarHBondContact O-N 2.88Å; L49-K55 HydrophobicContact CD1-CB 4.3Å; L49-K55 HydrophobicContact CD2-CB 4.05Å; L49-K55 HydrophobicContact CG-CB 4.19Å
56P95.8Very high95.8Very high89 Ų8975.4 Ų75.458%0.57840%0.404SS*.PPolyproline II helixtrans-63.4156.4177.928.4-34.9000111.1V54V54-P56 WeakPolarHBondContact O-CD 3.47Å
57L97Very high95.8Very high22 Ų2275.5 Ų75.512%0.11540%0.404CS..PPolyproline II helixtrans-76.6143.9172.5-55.7-179.1000110.1D8 V10 V43 V59 E88D8-L57 HydrophobicContact CB-CD2 3.68Å; V10-L57 HydrophobicContact CG2-CD1 4.1Å; V43-L57 HydrophobicContact CB-CD1 4.05Å; L57-V59 HydrophobicContact CB-CG2 4.24Å; L57-E88 WeakPolarHBondContact CA-OE1 3.3Å; L57-E88 VanDerWaalsContact CB-OE1 3.25Å; L57-E88 WeakPolarHBondContact CB-OE1 3.25Å; L57-E88 HydrophobicContact CD2-CB 3.91Å; L57-E88 VanDerWaalsContact CD2-CD 3.43Å; L57-E88 HydrophobicContact CD2-CG 4.28Å; L57-E88 WeakPolarHBondContact CD2-OE2 3.18Å
58D96.6Very high95.8Very high113 Ų11374.3 Ų74.360%0.60441%0.406SS*.SBendtrans-75.1-32.3174.6-68.7-35.9000110.6E88D58-E88 PolarHBondContact N-OE1 2.71Å
59V97.4Very high95.5Very high6 Ų672.7 Ų72.74%0.03640%0.399CS..  trans-78148.1176.5-61.20000112.8V10 V43 L57 V65 I91 I94V10-V59 HydrophobicContact CG1-CG2 4.26Å; V10-V59 HydrophobicContact CG2-CG2 3.76Å; V43-V59 HydrophobicContact CG1-CG2 4.06Å; L57-V59 HydrophobicContact CB-CG2 4.24Å; V59-V65 HydrophobicContact CG1-CG1 4.01Å; V59-I91 HydrophobicContact CG1-CD1 3.99Å; V59-I91 HydrophobicContact CG1-CG2 4.05Å; V59-I91 HydrophobicContact CG2-CD1 4.18Å; V59-I94 HydrophobicContact CG1-CD1 4.1Å; V59-I94 HydrophobicContact CG1-CG1 4.06Å
60K96.8Very high95.2Very high141 Ų14170.8 Ų70.861%0.61340%0.395SS*.  trans-129160.8179.2-59.4175.2-170167.50110.9V40 G62 D63V40-K60 VanDerWaalsContact CB-O 3.29Å; V40-K60 WeakPolarHBondContact CB-O 3.48Å; V40-K60 WeakPolarHBondContact CG1-O 3.28Å; K60-G62 PolarHBondContact O-N 2.75Å; K60-D63 PolarHBondContact N-OD2 2.84Å; K60-D63 WeakPolarHBondContact O-CB 3.21Å; K60-D63 PolarHBondContact O-N 2.86Å; K60-D63 VanDerWaalsContact O-N 3.15Å
61V96.4Very high94.9Very high94 Ų9472.5 Ų72.557%0.5739%0.394SS*.THydrogen-bonded Turntrans-60.6131173.4179.80000109.8V43V43-V61 HydrophobicContact CG1-CG2 4.48Å; V43-V61 HydrophobicContact CG2-CG2 4.35Å
62G96.1Very high94.6Very high40 Ų4069.6 Ų69.641%0.41239%0.389SS..THydrogen-bonded Turntrans94.9-12.7-176.100000114.6V40 K60V40-G62 PolarHBondContact O-N 2.81Å; K60-G62 PolarHBondContact O-N 2.75Å
63D97.8Very high94.7Very high41 Ų4168 Ų6822%0.21937%0.367CS..  trans-65.8140.6176.4-71.7-16.5000110.8E39 V40 K60 V65 I94E39-D63 WeakPolarHBondContact CA-O 3.46Å; V40-D63 HydrophobicContact CG2-CB 4.25Å; V40-D63 PolarHBondContact N-O 3.07Å; K60-D63 PolarHBondContact N-OD2 2.84Å; K60-D63 WeakPolarHBondContact O-CB 3.21Å; K60-D63 PolarHBondContact O-N 2.86Å; K60-D63 VanDerWaalsContact O-N 3.15Å; D63-V65 HydrophobicContact CB-CG1 4.33Å; D63-I94 HydrophobicContact CB-CG2 4.13Å
64I96.9Very high94.6Very high35 Ų3568 Ų6818%0.17937%0.365CS..EExtended strand (participates in β ladder)trans-90.9121.9168.2-56.5-54.3000107.7K15 G38 E39 I94 V95K15-I64 HydrophobicContact CD-CD1 4.22Å; G38-I64 CarbonylContact O-C 3.54Å; G38-I64 WeakPolarHBondContact O-CA 3.42Å; E39-I64 HydrophobicContact CB-CD1 3.73Å; E39-I64 HydrophobicContact CG-CD1 3.93Å; I64-I94 CarbonylContact O-C 3.53Å; I64-V95 HydrophobicContact CB-CB 4.12Å; I64-V95 HydrophobicContact CG2-CB 4.03Å; I64-V95 HydrophobicContact CG2-CG2 4.01Å; I64-V95 PolarHBondContact O-N 3.34Å
65V96.9Very high94.5Very high0 Ų067 Ų670%036%0.362CS..EExtended strand (participates in β ladder)trans-118151.6-174.8-660000112.1V12 R37 G38 V40 V59 D63 F67 I91 A93 I94V12-V65 HydrophobicContact CG1-CG2 4.15Å; V12-V65 HydrophobicContact CG2-CG2 4.08Å; R37-V65 VanDerWaalsContact CA-O 3.28Å; R37-V65 WeakPolarHBondContact CA-O 3.35Å; G38-V65 PolarHBondContact N-O 3.44Å; G38-V65 PolarHBondContact O-N 2.78Å; V40-V65 HydrophobicContact CG2-CG1 3.7Å; V40-V65 HydrophobicContact CG2-CG2 3.97Å; V59-V65 HydrophobicContact CG1-CG1 4.01Å; D63-V65 HydrophobicContact CB-CG1 4.33Å; V65-F67 HydrophobicContact CG2-CD1 4.34Å; V65-I91 HydrophobicContact CB-CG2 3.78Å; V65-I91 HydrophobicContact CG1-CG2 3.85Å; V65-I91 HydrophobicContact CG2-CD1 4.46Å; V65-A93 CarbonylContact C-O 3.23Å; V65-A93 VanDerWaalsContact CA-O 3.3Å; V65-A93 WeakPolarHBondContact CA-O 3.26Å; V65-I94 HydrophobicContact CG1-CG1 4.28Å
66I96.2Very high94.5Very high50 Ų5065.3 Ų65.326%0.25636%0.356SS..EExtended strand (participates in β ladder)trans-101.5126.1164.5-55.3176.5000106.9T36 R37 L92 A93 V95T36-I66 WeakPolarHBondContact O-CA 3.27Å; R37-I66 HydrophobicContact CG-CG1 4.21Å; I66-L92 PolarHBondContact O-N 3.15Å; I66-A93 HydrophobicContact CB-CB 4.41Å; I66-A93 HydrophobicContact CD1-CB 4.4Å; I66-A93 PolarHBondContact N-O 2.85Å; I66-A93 PolarHBondContact O-N 2.86Å; I66-V95 HydrophobicContact CD1-CG2 4.16Å; I66-V95 HydrophobicContact CG1-CG2 3.83Å
67F95.4Very high94.3Very high2 Ų267.9 Ų67.91%0.00936%0.358CS..EExtended strand (participates in β ladder)trans-128.3158.1-179.460-93.7000111.7V12 R14 S35 T36 V65 D69 L84 M86 D90 I91V12-F67 HydrophobicContact CG1-CD1 4.28Å; V12-F67 HydrophobicContact CG1-CE1 4.04Å; R14-F67 HydrophobicContact CG-CZ 4.07Å; S35-F67 WeakPolarHBondContact O-CZ 3.22Å; T36-F67 WeakPolarHBondContact CB-O 3.02Å; T36-F67 WeakPolarHBondContact O-CD1 3.36Å; T36-F67 PolarHBondContact O-N 2.82Å; V65-F67 HydrophobicContact CG2-CD1 4.34Å; F67-D69 HydrophobicContact CE2-CB 4.27Å; F67-L84 HydrophobicContact CD2-CD1 4.35Å; F67-L84 HydrophobicContact CE1-CD1 4.14Å; F67-L84 HydrophobicContact CE2-CD1 3.46Å; F67-L84 VanDerWaalsContact CE2-CD1 3.46Å; F67-L84 HydrophobicContact CZ-CD1 3.35Å; F67-M86 HydrophobicContact CB-CE 4.09Å; F67-M86 HydrophobicContact CB-SD 3.5Å; F67-M86 VanDerWaalsContact CB-SD 3.5Å; F67-M86 HydrophobicContact CD1-CE 4.07Å; F67-M86 HydrophobicContact CD1-SD 4.41Å; F67-M86 HydrophobicContact CD2-CE 3.66Å; F67-M86 HydrophobicContact CD2-SD 4.18Å; F67-M86 HydrophobicContact CE1-CE 4.48Å; F67-M86 HydrophobicContact CE2-CE 4.13Å; F67-M86 HydrophobicContact CG-CE 3.65Å; F67-M86 HydrophobicContact CG-SD 3.78Å; F67-D90 CarbonylContact C-O 3.59Å; F67-D90 VanDerWaalsContact CA-O 3.26Å; F67-D90 WeakPolarHBondContact CA-O 3.49Å; F67-D90 WeakPolarHBondContact CB-O 3.19Å; F67-I91 HydrophobicContact CB-CG1 4.43Å
68N94.3Very high93.9Very high91 Ų9168.3 Ų68.349%0.48736%0.36SS..  trans-81.4115.2173.1-172.57.8000110.2G70 V73 D90 L92N68-G70 PolarHBondContact O-N 2.63Å; N68-V73 WeakPolarHBondContact O-CG2 3.48Å; N68-D90 PolarHBondContact N-O 2.88Å; N68-L92 HydrophobicContact CB-CD1 4.33Å
69D88.3Confident93.5Very high62 Ų6268.4 Ų68.433%0.33236%0.36SS..  trans-79.871.8176.2-164.123.5000110.9R14 T36 F67R14-D69 IonicContact CZ-OD1 3.95Å; R14-D69 IonicContact CZ-OD2 3.61Å; R14-D69 IonicContact NH2-OD1 2.71Å; R14-D69 PolarHBondContact NH2-OD1 3.15Å; R14-D69 IonicContact NH2-OD2 2.8Å; R14-D69 PolarHBondContact NH2-OD2 2.77Å; T36-D69 HydrophobicContact CG2-CB 4.36Å; F67-D69 HydrophobicContact CE2-CB 4.27Å
70G88.3Confident93Very high28 Ų2874.6 Ų74.629%0.28939%0.393SS..SBendtrans-119.3-168.9-177.500000114N68 G72 V73N68-G70 PolarHBondContact O-N 2.63Å; G70-G72 PolarHBondContact O-N 3.41Å; G70-G72 VanDerWaalsContact O-N 3.09Å; G70-V73 PolarHBondContact O-N 3.05Å
71Y87.3Confident92.6Very high250 Ų25071.9 Ų71.998%0.9838%0.383SS*.THydrogen-bonded Turntrans-58.8-22.2-178.5-65.9-79000114.8V73Y71-V73 VanDerWaalsContact C-N 3.26Å; Y71-V73 PolarHBondContact O-N 3.32Å
72G89.5Confident92.3Very high41 Ų4173.3 Ų73.342%0.42338%0.383SS..THydrogen-bonded Turntrans-74.8-11.5177.300000114.5G70G70-G72 PolarHBondContact O-N 3.41Å; G70-G72 VanDerWaalsContact O-N 3.09Å
73V94.4Very high92.3Very high22 Ų2271.5 Ų71.513%0.13336%0.364CS..PPolyproline II helixtrans-98.8119.4-175.6-176.10000110.6N68 G70 Y71 L84 M86N68-V73 WeakPolarHBondContact O-CG2 3.48Å; G70-V73 PolarHBondContact O-N 3.05Å; Y71-V73 VanDerWaalsContact C-N 3.26Å; Y71-V73 PolarHBondContact O-N 3.32Å; V73-L84 HydrophobicContact CG1-CB 3.86Å; V73-L84 HydrophobicContact CG1-CD1 3.84Å; V73-L84 HydrophobicContact CG1-CD2 3.99Å; V73-L84 HydrophobicContact CG1-CG 4.11Å; V73-M86 HydrophobicContact CG1-CE 3.83Å; V73-M86 HydrophobicContact CG2-CB 3.99Å; V73-M86 HydrophobicContact CG2-CE 4.1Å
74K95.2Very high92.2Very high123 Ų12369.6 Ų69.654%0.53535%0.354SS..EExtended strand (participates in β ladder)trans-100.6126.1174.7-163.3-176.1-163.3-158.60110.2E76 L84 I85K74-E76 HydrophobicContact CD-CG 4.02Å; K74-E76 WeakPolarHBondContact CD-OE1 3.48Å; K74-E76 WeakPolarHBondContact CE-OE1 3.26Å; K74-E76 HydrophobicContact CG-CG 4.24Å; K74-E76 IonicContact NZ-OE1 2.61Å; K74-E76 PolarHBondContact NZ-OE1 2.84Å; K74-L84 CarbonylContact O-C 3.56Å; K74-L84 WeakPolarHBondContact O-CA 3.25Å; K74-I85 PolarHBondContact N-O 3.07Å; K74-I85 PolarHBondContact O-N 2.77Å
75S93.6Very high92.1Very high55 Ų5569.3 Ų69.339%0.38535%0.352SS..EExtended strand (participates in β ladder)trans-84.4133.2165.8-178.20000110E82 V83S75-E82 WeakPolarHBondContact OG-CG 3.15Å; S75-E82 PolarHBondContact OG-OE1 3Å; S75-V83 WeakPolarHBondContact CA-O 3.11Å
76E94Very high92.2Very high67 Ų6769.3 Ų69.331%0.31335%0.352SS..EExtended strand (participates in β ladder)trans-137.4145.7177.7-76.8-63.8167.300110.5K74 V83 I85K74-E76 HydrophobicContact CD-CG 4.02Å; K74-E76 WeakPolarHBondContact CD-OE1 3.48Å; K74-E76 WeakPolarHBondContact CE-OE1 3.26Å; K74-E76 HydrophobicContact CG-CG 4.24Å; K74-E76 IonicContact NZ-OE1 2.61Å; K74-E76 PolarHBondContact NZ-OE1 2.84Å; E76-V83 HydrophobicContact CB-CG2 4.48Å; E76-V83 PolarHBondContact N-O 3.24Å; E76-V83 PolarHBondContact O-N 3.34Å; E76-I85 HydrophobicContact CB-CD1 4.17Å; E76-I85 HydrophobicContact CB-CG1 4.49Å; E76-I85 HydrophobicContact CG-CD1 3.91Å; E76-I85 HydrophobicContact CG-CG1 4.43Å
77K92.4Very high92.2Very high142 Ų14267.9 Ų67.962%0.61735%0.347SS*.EExtended strand (participates in β ladder)trans-102.3115.5174.8-171.2173.5177.4175.70109.7N80 E81K77-N80 WeakPolarHBondContact CE-OD1 3.35Å; K77-E81 CarbonylContact C-O 3.54Å; K77-E81 VanDerWaalsContact CA-O 3.32Å; K77-E81 WeakPolarHBondContact CA-O 3.49Å
78I89.1Confident92.2Very high31 Ų3169.2 Ų69.216%0.15935%0.353CS..EExtended strand (participates in β ladder)trans-125.6129.7-178.6-58.1171.4000108.1M1 I3 N80 E81 V83M1-I78 HydrophobicContact CE-CB 3.67Å; M1-I78 HydrophobicContact CE-CD1 3.68Å; M1-I78 HydrophobicContact CE-CG1 4.26Å; M1-I78 HydrophobicContact CE-CG2 3.75Å; M1-I78 HydrophobicContact CG-CG2 4.14Å; I3-I78 HydrophobicContact CB-CD1 4.49Å; I3-I78 HydrophobicContact CD1-CD1 3.32Å; I3-I78 HydrophobicContact CG1-CD1 4.46Å; I3-I78 HydrophobicContact CG2-CD1 4.27Å; I78-N80 PolarHBondContact O-N 3.34Å; I78-N80 VanDerWaalsContact O-N 3.09Å; I78-E81 PolarHBondContact N-O 3.03Å; I78-E81 PolarHBondContact O-N 3.5Å; I78-V83 HydrophobicContact CD1-CG2 3.73Å; I78-V83 HydrophobicContact CG1-CG2 4.25Å
79D87.1Confident92.3Very high115 Ų11568.7 Ų68.762%0.61536%0.356SS*.THydrogen-bonded Turntrans51.835179.2-57.7-25.9000113.3M1 E81M1-D79 WeakPolarHBondContact CA-OD2 3.32Å; D79-E81 VanDerWaalsContact C-N 3.27Å; D79-E81 PolarHBondContact O-N 3.37Å
80N86.2Confident92.7Very high137 Ų13767.1 Ų67.173%0.73335%0.348SS*.THydrogen-bonded Turntrans68.36.7-171.9-71.8-33.5000117.4K77 I78K77-N80 WeakPolarHBondContact CE-OD1 3.35Å; I78-N80 PolarHBondContact O-N 3.34Å; I78-N80 VanDerWaalsContact O-N 3.09Å
81E88.3Confident93.1Very high83 Ų8366.9 Ų66.939%0.38834%0.34SS..EExtended strand (participates in β ladder)trans-101.3135.5172.5-57.5-160170.400111.6K13 K77 I78 D79K13-E81 VanDerWaalsContact NZ-CD 3.31Å; K13-E81 IonicContact NZ-OE1 3.39Å; K13-E81 PolarHBondContact NZ-OE1 2.84Å; K13-E81 IonicContact NZ-OE2 2.77Å; K13-E81 PolarHBondContact NZ-OE2 3.19Å; K77-E81 CarbonylContact C-O 3.54Å; K77-E81 VanDerWaalsContact CA-O 3.32Å; K77-E81 WeakPolarHBondContact CA-O 3.49Å; I78-E81 PolarHBondContact N-O 3.03Å; I78-E81 PolarHBondContact O-N 3.5Å; D79-E81 VanDerWaalsContact C-N 3.27Å; D79-E81 PolarHBondContact O-N 3.37Å
82E91.6Very high93.5Very high125 Ų12560.6 Ų60.658%0.58432%0.323SS*.EExtended strand (participates in β ladder)trans-80.6124.5169.5-170.7178.2-178.300109.4S75S75-E82 WeakPolarHBondContact OG-CG 3.15Å; S75-E82 PolarHBondContact OG-OE1 3Å
83V94.7Very high93.9Very high1 Ų160.7 Ų60.71%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-128.8156177.3-58.90000110.5M1 I11 L41 S75 E76 I78M1-V83 HydrophobicContact CE-CB 4.42Å; M1-V83 HydrophobicContact CE-CG1 3.67Å; M1-V83 HydrophobicContact CE-CG2 4.03Å; I11-V83 HydrophobicContact CG2-CB 3.82Å; I11-V83 HydrophobicContact CG2-CG1 4.25Å; I11-V83 HydrophobicContact CG2-CG2 3.87Å; L41-V83 HydrophobicContact CD1-CG1 3.84Å; S75-V83 WeakPolarHBondContact CA-O 3.11Å; E76-V83 HydrophobicContact CB-CG2 4.48Å; E76-V83 PolarHBondContact N-O 3.24Å; E76-V83 PolarHBondContact O-N 3.34Å; I78-V83 HydrophobicContact CD1-CG2 3.73Å; I78-V83 HydrophobicContact CG1-CG2 4.25Å
84L95.7Very high94Very high2 Ų262.8 Ų62.81%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-100.8136.4172-56.5-175.5000109.8I11 V12 R14 F67 V73 K74 M86I11-L84 CarbonylContact C-O 3.54Å; I11-L84 VanDerWaalsContact CA-O 3.27Å; I11-L84 WeakPolarHBondContact CA-O 3.18Å; V12-L84 HydrophobicContact CB-CB 4.47Å; V12-L84 PolarHBondContact N-O 2.93Å; V12-L84 PolarHBondContact O-N 3.42Å; R14-L84 HydrophobicContact CG-CD1 3.57Å; R14-L84 HydrophobicContact CG-CG 4Å; F67-L84 HydrophobicContact CD2-CD1 4.35Å; F67-L84 HydrophobicContact CE1-CD1 4.14Å; F67-L84 HydrophobicContact CE2-CD1 3.46Å; F67-L84 VanDerWaalsContact CE2-CD1 3.46Å; F67-L84 HydrophobicContact CZ-CD1 3.35Å; V73-L84 HydrophobicContact CG1-CB 3.86Å; V73-L84 HydrophobicContact CG1-CD1 3.84Å; V73-L84 HydrophobicContact CG1-CD2 3.99Å; V73-L84 HydrophobicContact CG1-CG 4.11Å; K74-L84 CarbonylContact O-C 3.56Å; K74-L84 WeakPolarHBondContact O-CA 3.25Å; L84-M86 HydrophobicContact CB-CE 3.72Å; L84-M86 HydrophobicContact CD1-CE 3.86Å; L84-M86 HydrophobicContact CG-CE 4.49Å
85I96.5Very high94Very high28 Ų2860.1 Ų60.114%0.14432%0.323CS..EExtended strand (participates in β ladder)trans-114.7120.4171.4-44-172.1000107.2R9 V10 I11 K74 E76R9-I85 HydrophobicContact CB-CG2 4.49Å; V10-I85 WeakPolarHBondContact O-CA 3.06Å; I11-I85 HydrophobicContact CG1-CG1 4.15Å; I11-I85 HydrophobicContact CG1-CG2 4.39Å; K74-I85 PolarHBondContact N-O 3.07Å; K74-I85 PolarHBondContact O-N 2.77Å; E76-I85 HydrophobicContact CB-CD1 4.17Å; E76-I85 HydrophobicContact CB-CG1 4.49Å; E76-I85 HydrophobicContact CG-CD1 3.91Å; E76-I85 HydrophobicContact CG-CG1 4.43Å
86M97.1Very high93.9Very high0 Ų065.7 Ų65.70%034%0.343CS..EExtended strand (participates in β ladder)trans-142.2171.1-177.967.4-170.467.400110.9R9 V10 V12 F67 V73 L84 D90 I91R9-M86 CarbonylContact C-O 2.97Å; R9-M86 WeakPolarHBondContact CA-O 3.08Å; V10-M86 PolarHBondContact N-O 2.84Å; V10-M86 PolarHBondContact O-N 3.4Å; V12-M86 HydrophobicContact CB-CE 4.26Å; V12-M86 HydrophobicContact CG2-CE 4.26Å; V12-M86 HydrophobicContact CG2-SD 4.42Å; F67-M86 HydrophobicContact CB-CE 4.09Å; F67-M86 HydrophobicContact CB-SD 3.5Å; F67-M86 VanDerWaalsContact CB-SD 3.5Å; F67-M86 HydrophobicContact CD1-CE 4.07Å; F67-M86 HydrophobicContact CD1-SD 4.41Å; F67-M86 HydrophobicContact CD2-CE 3.66Å; F67-M86 HydrophobicContact CD2-SD 4.18Å; F67-M86 HydrophobicContact CE1-CE 4.48Å; F67-M86 HydrophobicContact CE2-CE 4.13Å; F67-M86 HydrophobicContact CG-CE 3.65Å; F67-M86 HydrophobicContact CG-SD 3.78Å; V73-M86 HydrophobicContact CG1-CE 3.83Å; V73-M86 HydrophobicContact CG2-CB 3.99Å; V73-M86 HydrophobicContact CG2-CE 4.1Å; L84-M86 HydrophobicContact CB-CE 3.72Å; L84-M86 HydrophobicContact CD1-CE 3.86Å; L84-M86 HydrophobicContact CG-CE 4.49Å; M86-D90 HydrophobicContact CB-CB 4.11Å; M86-D90 HydrophobicContact CG-CB 4.34Å; M86-D90 HydrophobicContact SD-CB 4.26Å; M86-I91 HydrophobicContact CG-CG1 4.45Å; M86-I91 HydrophobicContact SD-CG1 3.9Å
87S96.7Very high93.3Very high20 Ų2071 Ų7114%0.1440%0.399CS..EExtended strand (participates in β ladder)trans-81155.8169710000110.4D8 S89 D90D8-S87 CarbonylContact O-C 3.55Å; S87-S89 PolarHBondContact O-N 2.9Å; S87-S89 PolarHBondContact OG-N 2.82Å; S87-S89 PolarHBondContact OG-OG 2.82Å; S87-D90 PolarHBondContact N-OD2 2.72Å; S87-D90 VanDerWaalsContact N-OD2 3.15Å; S87-D90 WeakPolarHBondContact O-CB 3.45Å; S87-D90 PolarHBondContact O-N 3.42Å; S87-D90 PolarHBondContact OG-N 3.16Å; S87-D90 PolarHBondContact OG-OD2 2.95Å
88E96.4Very high93.3Very high30 Ų3067.5 Ų67.514%0.1439%0.388CS..G310 helixtrans-57.3-30.7169.3177.8177.4-119.600111.9D8 V10 L57 D58 D90 I91D8-E88 PolarHBondContact O-N 2.82Å; V10-E88 HydrophobicContact CG2-CB 4.38Å; L57-E88 WeakPolarHBondContact CA-OE1 3.3Å; L57-E88 VanDerWaalsContact CB-OE1 3.25Å; L57-E88 WeakPolarHBondContact CB-OE1 3.25Å; L57-E88 HydrophobicContact CD2-CB 3.91Å; L57-E88 VanDerWaalsContact CD2-CD 3.43Å; L57-E88 HydrophobicContact CD2-CG 4.28Å; L57-E88 WeakPolarHBondContact CD2-OE2 3.18Å; D58-E88 PolarHBondContact N-OE1 2.71Å; E88-D90 PolarHBondContact O-N 2.93Å; E88-I91 WeakPolarHBondContact O-CA 3.48Å; E88-I91 WeakPolarHBondContact O-CB 3.31Å; E88-I91 PolarHBondContact O-N 2.96Å
89S95.3Very high93.5Very high80 Ų8069.4 Ų69.456%0.55940%0.4SS*.G310 helixtrans-65.7-16.3175.243.40000114.8S87 I91S87-S89 PolarHBondContact O-N 2.9Å; S87-S89 PolarHBondContact OG-N 2.82Å; S87-S89 PolarHBondContact OG-OG 2.82Å; S89-I91 VanDerWaalsContact C-N 3.33Å
90D96.4Very high93.9Very high30 Ų3066.9 Ų66.916%0.1639%0.388CS..G310 helixtrans-84.6-10.7171.8-60.8-63.3000112.2F67 N68 M86 S87 E88F67-D90 CarbonylContact C-O 3.59Å; F67-D90 VanDerWaalsContact CA-O 3.26Å; F67-D90 WeakPolarHBondContact CA-O 3.49Å; F67-D90 WeakPolarHBondContact CB-O 3.19Å; N68-D90 PolarHBondContact N-O 2.88Å; M86-D90 HydrophobicContact CB-CB 4.11Å; M86-D90 HydrophobicContact CG-CB 4.34Å; M86-D90 HydrophobicContact SD-CB 4.26Å; S87-D90 PolarHBondContact N-OD2 2.72Å; S87-D90 VanDerWaalsContact N-OD2 3.15Å; S87-D90 WeakPolarHBondContact O-CB 3.45Å; S87-D90 PolarHBondContact O-N 3.42Å; S87-D90 PolarHBondContact OG-N 3.16Å; S87-D90 PolarHBondContact OG-OD2 2.95Å; E88-D90 PolarHBondContact O-N 2.93Å
91I97.2Very high94.3Very high22 Ų2262.8 Ų62.811%0.11337%0.368CS..EExtended strand (participates in β ladder)trans-87.7122.9174.5-60.4175.9000108.9V10 V59 V65 F67 M86 E88 S89V10-I91 HydrophobicContact CB-CD1 3.97Å; V10-I91 HydrophobicContact CG1-CD1 3.93Å; V10-I91 HydrophobicContact CG2-CD1 3.91Å; V59-I91 HydrophobicContact CG1-CD1 3.99Å; V59-I91 HydrophobicContact CG1-CG2 4.05Å; V59-I91 HydrophobicContact CG2-CD1 4.18Å; V65-I91 HydrophobicContact CB-CG2 3.78Å; V65-I91 HydrophobicContact CG1-CG2 3.85Å; V65-I91 HydrophobicContact CG2-CD1 4.46Å; F67-I91 HydrophobicContact CB-CG1 4.43Å; M86-I91 HydrophobicContact CG-CG1 4.45Å; M86-I91 HydrophobicContact SD-CG1 3.9Å; E88-I91 WeakPolarHBondContact O-CA 3.48Å; E88-I91 WeakPolarHBondContact O-CB 3.31Å; E88-I91 PolarHBondContact O-N 2.96Å; S89-I91 VanDerWaalsContact C-N 3.33Å
92L96.7Very high94.7Very high119 Ų11961.5 Ų61.562%0.62337%0.366SS*.EExtended strand (participates in β ladder)trans-96.4-32.8-172.4-56.9178.7000112.7I66 N68I66-L92 PolarHBondContact O-N 3.15Å; N68-L92 HydrophobicContact CB-CD1 4.33Å
93A97.3Very high94.9Very high43 Ų4357.3 Ų57.336%0.35535%0.352SS..EExtended strand (participates in β ladder)trans-160.2153.4-178.800000112V65 I66V65-A93 CarbonylContact C-O 3.23Å; V65-A93 VanDerWaalsContact CA-O 3.3Å; V65-A93 WeakPolarHBondContact CA-O 3.26Å; I66-A93 HydrophobicContact CB-CB 4.41Å; I66-A93 HydrophobicContact CD1-CB 4.4Å; I66-A93 PolarHBondContact N-O 2.85Å; I66-A93 PolarHBondContact O-N 2.86Å
94I97.5Very high94.9Very high66 Ų6661.3 Ų61.334%0.33838%0.377SS..EExtended strand (participates in β ladder)trans-95.1134163.2-58.4168.9000107.5V59 D63 I64 V65 E96V59-I94 HydrophobicContact CG1-CD1 4.1Å; V59-I94 HydrophobicContact CG1-CG1 4.06Å; D63-I94 HydrophobicContact CB-CG2 4.13Å; I64-I94 CarbonylContact O-C 3.53Å; V65-I94 HydrophobicContact CG1-CG1 4.28Å; I94-E96 PolarHBondContact O-N 3.47Å
95V94.8Very high94.8Very high66 Ų6665.8 Ų65.840%0.441%0.405SS..  trans-86.3102.6176-176.60000107.9I64 I66I64-V95 HydrophobicContact CB-CB 4.12Å; I64-V95 HydrophobicContact CG2-CB 4.03Å; I64-V95 HydrophobicContact CG2-CG2 4.01Å; I64-V95 PolarHBondContact O-N 3.34Å; I66-V95 HydrophobicContact CD1-CG2 4.16Å; I66-V95 HydrophobicContact CG1-CG2 3.83Å
96E91.1Very high94.7Very high173 Ų17369 Ų6981%0.80843%0.426SS*.  trans-82.1149.2172.3-60.9-175.4161.600110.5I94I94-E96 PolarHBondContact O-N 3.47Å
97A80.3Confident94.5Very high179 Ų17975.3 Ų75.3100%1.47947%0.465SS*.  trans-82.60-179.600000112.5

Retrieved 97 of 97 residues in 49.9 ms (Link to these results)