A0A077ZE65_TRITR Loading...

10 kDa heat shock protein, mitochondrial

AlphaFold DB (P0A6F9), UniProt , Accession A0A077ZE65, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 97 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
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 19.8 ms (Link to these results)