A0A077Z1I1_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z1I1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 117 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
1M95.4Very high95.7Very high144 Ų14456.8 Ų56.871%0.70930%0.302SS*.  0137.10175-178.88200106.4L8 F9M1-L8 HydrophobicContact CE-CD1 4.23Å; M1-L8 HydrophobicContact CG-CD1 3.53Å; M1-L8 HydrophobicContact CG-CG 4.19Å; M1-L8 HydrophobicContact SD-CD1 3.65Å; M1-L8 HydrophobicContact SD-CD2 4.11Å; M1-L8 HydrophobicContact SD-CG 4.2Å; M1-F9 CarbonylContact C-O 3.52Å; M1-F9 WeakPolarHBondContact CA-O 3.49Å; M1-F9 WeakPolarHBondContact CG-O 3.45Å
2V97.3Very high96Very high22 Ų2255 Ų5513%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-143.7150.3-177.865.20000110.5F9 L41 A43 I50V2-F9 HydrophobicContact CG1-CB 3.84Å; V2-F9 PolarHBondContact N-O 3.3Å; V2-F9 PolarHBondContact O-N 3.17Å; V2-L41 HydrophobicContact CB-CB 4.46Å; V2-L41 HydrophobicContact CG1-CB 3.96Å; V2-A43 HydrophobicContact CB-CB 4.46Å; V2-A43 HydrophobicContact CG1-CB 4.26Å; V2-A43 HydrophobicContact CG2-CB 3.4Å; V2-I50 HydrophobicContact CG1-CD1 3.65Å
3I95.9Very high96.1Very high100 Ų10061.9 Ų61.951%0.51333%0.327SS..EExtended strand (participates in β ladder)trans-103.9133.4173.3-66.1172.7000108M7 L8 I22I3-M7 CarbonylContact C-O 3.59Å; I3-M7 WeakPolarHBondContact CA-O 3.32Å; I3-L8 HydrophobicContact CD1-CD1 4.39Å; I3-L8 HydrophobicContact CG1-CD1 3.65Å; I3-I22 HydrophobicContact CD1-CD1 4.3Å; I3-I22 HydrophobicContact CG1-CD1 4.2Å; I3-I22 HydrophobicContact CG2-CD1 3.75Å
4Y94.7Very high96.3Very high6 Ų664.4 Ų64.42%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-148.2123.7175.3167.1-103.5000109.1D6 M7 F9 E45 D48 I64Y4-D6 PolarHBondContact O-N 2.96Å; Y4-M7 PolarHBondContact N-O 3.46Å; Y4-M7 WeakPolarHBondContact O-CB 3.45Å; Y4-M7 PolarHBondContact O-N 2.74Å; Y4-F9 AromaticContact CD1-CE2 3.98Å; Y4-F9 HydrophobicContact CD1-CE2 3.98Å; Y4-F9 HydrophobicContact CD1-CZ 4.43Å; Y4-E45 HydrophobicContact CD2-CG 4.41Å; Y4-D48 WeakPolarHBondContact OH-CA 3.46Å; Y4-D48 WeakPolarHBondContact OH-CB 3.2Å; Y4-D48 PolarHBondContact OH-OD1 3.26Å; Y4-I64 HydrophobicContact CD1-CG2 4.22Å; Y4-I64 HydrophobicContact CE1-CB 3.95Å; Y4-I64 HydrophobicContact CE1-CG2 3.72Å
5K90.4Very high96.4Very high119 Ų11960.1 Ų60.152%0.51733%0.325SS..THydrogen-bonded Turntrans42.766.7178.4-66.8-177.4-178.3158.20114.1M7 D48K5-M7 PolarHBondContact O-N 2.66Å; K5-D48 IonicContact NZ-OD1 2.95Å; K5-D48 PolarHBondContact NZ-OD1 3.29Å; K5-D48 IonicContact NZ-OD2 3.11Å
6D93.2Very high96.5Very high111 Ų11158.8 Ų58.859%0.59432%0.317SS*.THydrogen-bonded Turntrans57.814.4-179.1-58.1-36.2000115.3Y4 I22Y4-D6 PolarHBondContact O-N 2.96Å; D6-I22 WeakPolarHBondContact O-CB 3.48Å; D6-I22 VanDerWaalsContact O-CG1 3.28Å; D6-I22 WeakPolarHBondContact O-CG1 3.48Å; D6-I22 PolarHBondContact O-N 3.36Å
7M94.9Very high96.6Very high25 Ų2555.4 Ų55.412%0.12330%0.299CS..EExtended strand (participates in β ladder)trans-117.9140.2178.3-60.2165.2-169.100110.8I3 Y4 K5 F9 Y20 V67I3-M7 CarbonylContact C-O 3.59Å; I3-M7 WeakPolarHBondContact CA-O 3.32Å; Y4-M7 PolarHBondContact N-O 3.46Å; Y4-M7 WeakPolarHBondContact O-CB 3.45Å; Y4-M7 PolarHBondContact O-N 2.74Å; K5-M7 PolarHBondContact O-N 2.66Å; M7-F9 HydrophobicContact CB-CD2 4.33Å; M7-F9 HydrophobicContact CB-CE2 3.76Å; M7-F9 HydrophobicContact CB-CZ 4.48Å; M7-Y20 CarbonylContact C-O 3.49Å; M7-Y20 WeakPolarHBondContact CA-O 3.37Å; M7-V67 HydrophobicContact CE-CB 3.72Å; M7-V67 HydrophobicContact CE-CG1 4.23Å; M7-V67 HydrophobicContact CE-CG2 4.16Å; M7-V67 HydrophobicContact SD-CB 3.44Å; M7-V67 WeakPolarHBondContact SD-CB 3.43Å; M7-V67 HydrophobicContact SD-CG1 3.59Å; M7-V67 VanDerWaalsContact SD-CG1 3.59Å; M7-V67 HydrophobicContact SD-CG2 3.45Å; M7-V67 WeakPolarHBondContact SD-CG2 3.37Å
8L97Very high96.7Very high41 Ų4152.6 Ų52.622%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-100.8115.9173.7-177.969.2000109.3M1 I3 A19 Y20 I22M1-L8 HydrophobicContact CE-CD1 4.23Å; M1-L8 HydrophobicContact CG-CD1 3.53Å; M1-L8 HydrophobicContact CG-CG 4.19Å; M1-L8 HydrophobicContact SD-CD1 3.65Å; M1-L8 HydrophobicContact SD-CD2 4.11Å; M1-L8 HydrophobicContact SD-CG 4.2Å; I3-L8 HydrophobicContact CD1-CD1 4.39Å; I3-L8 HydrophobicContact CG1-CD1 3.65Å; L8-A19 CarbonylContact O-C 3.53Å; L8-A19 VanDerWaalsContact O-CA 3.29Å; L8-A19 WeakPolarHBondContact O-CA 3.45Å; L8-Y20 PolarHBondContact N-O 3.42Å; L8-Y20 PolarHBondContact O-N 3.42Å; L8-I22 HydrophobicContact CB-CD1 4.46Å; L8-I22 HydrophobicContact CB-CG1 4.07Å
9F97.7Very high96.7Very high0 Ų049.8 Ų49.80%027%0.269CS..EExtended strand (participates in β ladder)trans-96.3125.4174.3-69-101000110.7M1 V2 Y4 M7 I17 V18 A19 L29 L41 I50 I64 V67M1-F9 CarbonylContact C-O 3.52Å; M1-F9 WeakPolarHBondContact CA-O 3.49Å; M1-F9 WeakPolarHBondContact CG-O 3.45Å; V2-F9 HydrophobicContact CG1-CB 3.84Å; V2-F9 PolarHBondContact N-O 3.3Å; V2-F9 PolarHBondContact O-N 3.17Å; Y4-F9 AromaticContact CD1-CE2 3.98Å; Y4-F9 HydrophobicContact CD1-CE2 3.98Å; Y4-F9 HydrophobicContact CD1-CZ 4.43Å; M7-F9 HydrophobicContact CB-CD2 4.33Å; M7-F9 HydrophobicContact CB-CE2 3.76Å; M7-F9 HydrophobicContact CB-CZ 4.48Å; F9-I17 HydrophobicContact CD1-CG2 3.92Å; F9-V18 WeakPolarHBondContact CA-O 3.19Å; F9-A19 HydrophobicContact CD1-CB 3.77Å; F9-A19 HydrophobicContact CE1-CB 3.61Å; F9-A19 HydrophobicContact CE2-CB 4.37Å; F9-A19 HydrophobicContact CG-CB 4.24Å; F9-A19 HydrophobicContact CZ-CB 3.92Å; F9-L29 HydrophobicContact CE1-CD2 4.4Å; F9-L41 HydrophobicContact CB-CD1 4.18Å; F9-I50 HydrophobicContact CD1-CG1 4.49Å; F9-I50 HydrophobicContact CD2-CD1 4.15Å; F9-I50 HydrophobicContact CE1-CG1 4.48Å; F9-I50 HydrophobicContact CE2-CD1 4.46Å; F9-I50 HydrophobicContact CG-CD1 4.2Å; F9-I64 HydrophobicContact CE1-CD1 4.23Å; F9-I64 HydrophobicContact CZ-CG2 4.01Å; F9-V67 HydrophobicContact CZ-CG2 4.21Å
10C98.2Very high96.7Very high26 Ų2651.3 Ų51.318%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-120.8129.1-177.8-67.70000110.5I17 V18 Y20C10-I17 CarbonylContact O-C 3.57Å; C10-I17 WeakPolarHBondContact O-CA 3.33Å; C10-V18 PolarHBondContact N-O 3.4Å; C10-V18 PolarHBondContact O-N 3.47Å; C10-Y20 HydrophobicContact CB-CE2 4.18Å
11G98.5Very high96.6Very high31 Ų3149.2 Ų49.232%0.3226%0.26SS..EExtended strand (participates in β ladder)trans-81.6146.3167.100000110.1L41G11-L41 VanDerWaalsContact N-CD1 3.31Å
12T98.4Very high96.7Very high35 Ų3546.2 Ų46.222%0.21525%0.247CC..  trans-122.9159.5-177.667.80000112.1P14 G15 L16 V18 P37 V38T12-P14 WeakPolarHBondContact OG1-CD 3.45Å; T12-G15 PolarHBondContact O-N 2.8Å; T12-G15 VanDerWaalsContact O-N 3.1Å; T12-L16 HydrophobicContact CG2-CB 4.23Å; T12-L16 PolarHBondContact N-O 2.6Å; T12-L16 VanDerWaalsContact OG1-CA 3.32Å; T12-L16 WeakPolarHBondContact OG1-CA 3.44Å; T12-L16 VanDerWaalsContact OG1-CB 3.22Å; T12-L16 WeakPolarHBondContact OG1-CB 3.32Å; T12-L16 PolarHBondContact OG1-N 2.83Å; T12-L16 PolarHBondContact OG1-O 3.39Å; T12-V18 HydrophobicContact CG2-CG2 3.87Å; T12-P37 WeakPolarHBondContact O-CA 3.41Å; T12-V38 PolarHBondContact O-N 3.44Å
13M98.3Very high96.6Very high145 Ų14551.2 Ų51.271%0.71427%0.272SS*.THydrogen-bonded Turntrans-59.5-36.6176.1-67.5-60.4-67.500114G15 P37M13-G15 PolarHBondContact O-N 2.97Å; M13-P37 HydrophobicContact CE-CB 4.25Å; M13-P37 HydrophobicContact CE-CG 3.61Å; M13-P37 VanDerWaalsContact O-CA 3.26Å; M13-P37 WeakPolarHBondContact O-CA 3.47Å; M13-P37 WeakPolarHBondContact O-CD 3.26Å; M13-P37 VanDerWaalsContact O-CG 3.28Å; M13-P37 WeakPolarHBondContact O-CG 3.21Å; M13-P37 HydrophobicContact SD-CB 3.95Å; M13-P37 HydrophobicContact SD-CG 3.97Å
14P98.1Very high96.6Very high96 Ų9649.2 Ų49.262%0.62327%0.268SS*.THydrogen-bonded Turntrans-75.3-3.2175.2-20.836000115T12T12-P14 WeakPolarHBondContact OG1-CD 3.45Å
15G98.4Very high96.6Very high0 Ų052.6 Ų52.60%030%0.296CS..SBendtrans94.113.8-17900000115.2T12 M13 A33 H34 R36T12-G15 PolarHBondContact O-N 2.8Å; T12-G15 VanDerWaalsContact O-N 3.1Å; M13-G15 PolarHBondContact O-N 2.97Å; G15-A33 PolarHBondContact O-N 3.12Å; G15-A33 VanDerWaalsContact O-N 3.16Å; G15-H34 WeakPolarHBondContact CA-O 3.19Å; G15-H34 PolarHBondContact O-N 3.27Å; G15-R36 WeakPolarHBondContact CA-O 3.22Å
16L98.4Very high96.9Very high39 Ų3951.5 Ų51.520%0.20430%0.296CS..EExtended strand (participates in β ladder)trans-83148.4172.2-49.6175.1000111.4T12 V18 I31 N32T12-L16 HydrophobicContact CG2-CB 4.23Å; T12-L16 PolarHBondContact N-O 2.6Å; T12-L16 VanDerWaalsContact OG1-CA 3.32Å; T12-L16 WeakPolarHBondContact OG1-CA 3.44Å; T12-L16 VanDerWaalsContact OG1-CB 3.22Å; T12-L16 WeakPolarHBondContact OG1-CB 3.32Å; T12-L16 PolarHBondContact OG1-N 2.83Å; T12-L16 PolarHBondContact OG1-O 3.39Å; L16-V18 HydrophobicContact CB-CG2 4.26Å; L16-I31 CarbonylContact C-O 3.54Å; L16-I31 VanDerWaalsContact CA-O 3.25Å; L16-I31 WeakPolarHBondContact CA-O 3.31Å; L16-N32 HydrophobicContact CD2-CB 4.31Å; L16-N32 WeakPolarHBondContact CD2-OD1 3.31Å
17I98.1Very high97Very high1 Ų149.6 Ų49.61%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-103.4124.6157.8-59.7169.4000107.2F9 C10 E30 I31 A33 V38 L41F9-I17 HydrophobicContact CD1-CG2 3.92Å; C10-I17 CarbonylContact O-C 3.57Å; C10-I17 WeakPolarHBondContact O-CA 3.33Å; I17-E30 WeakPolarHBondContact O-CA 3.21Å; I17-I31 HydrophobicContact CB-CB 4.25Å; I17-I31 HydrophobicContact CB-CD1 4.48Å; I17-I31 PolarHBondContact N-O 3.32Å; I17-I31 PolarHBondContact O-N 2.89Å; I17-A33 HydrophobicContact CB-CB 4.42Å; I17-A33 HydrophobicContact CD1-CB 3.57Å; I17-A33 HydrophobicContact CG1-CB 3.62Å; I17-V38 HydrophobicContact CG1-CG2 4.37Å; I17-L41 HydrophobicContact CD1-CD2 3.9Å; I17-L41 HydrophobicContact CG1-CD2 4.07Å; I17-L41 HydrophobicContact CG2-CD1 4.4Å
18V97.4Very high97.1Very high5 Ų550.3 Ų50.33%0.0329%0.294CS..EExtended strand (participates in β ladder)trans-116.4130.4178.9-173.90000108.5F9 C10 T12 L16 Y20 V27 L29 E30F9-V18 WeakPolarHBondContact CA-O 3.19Å; C10-V18 PolarHBondContact N-O 3.4Å; C10-V18 PolarHBondContact O-N 3.47Å; T12-V18 HydrophobicContact CG2-CG2 3.87Å; L16-V18 HydrophobicContact CB-CG2 4.26Å; V18-Y20 HydrophobicContact CB-CE2 3.98Å; V18-Y20 HydrophobicContact CG1-CD2 4.25Å; V18-Y20 HydrophobicContact CG1-CE1 4.33Å; V18-Y20 HydrophobicContact CG1-CE2 3.55Å; V18-V27 HydrophobicContact CG1-CG1 3.79Å; V18-V27 HydrophobicContact CG1-CG2 4.09Å; V18-L29 WeakPolarHBondContact CA-O 3.23Å; V18-E30 HydrophobicContact CG1-CG 4.19Å; V18-E30 HydrophobicContact CG2-CG 4.27Å
19A97Very high97Very high0 Ų049.1 Ų49.10%029%0.288CS..EExtended strand (participates in β ladder)trans-107.5134.717400000110.7L8 F9 V28 L29 V67L8-A19 CarbonylContact O-C 3.53Å; L8-A19 VanDerWaalsContact O-CA 3.29Å; L8-A19 WeakPolarHBondContact O-CA 3.45Å; F9-A19 HydrophobicContact CD1-CB 3.77Å; F9-A19 HydrophobicContact CE1-CB 3.61Å; F9-A19 HydrophobicContact CE2-CB 4.37Å; F9-A19 HydrophobicContact CG-CB 4.24Å; F9-A19 HydrophobicContact CZ-CB 3.92Å; A19-V28 HydrophobicContact CB-CG2 4.04Å; A19-V28 WeakPolarHBondContact O-CG2 3.2Å; A19-V28 PolarHBondContact O-N 3.11Å; A19-L29 HydrophobicContact CB-CB 3.95Å; A19-L29 PolarHBondContact N-O 3.44Å; A19-L29 PolarHBondContact O-N 3.49Å; A19-V67 HydrophobicContact CB-CG1 4.32Å
20Y96.7Very high96.9Very high80 Ų8055 Ų5531%0.31432%0.315SS..EExtended strand (participates in β ladder)trans-114.7138.9176.1-58-97.6000110M7 L8 C10 V18 I22 D26 V27M7-Y20 CarbonylContact C-O 3.49Å; M7-Y20 WeakPolarHBondContact CA-O 3.37Å; L8-Y20 PolarHBondContact N-O 3.42Å; L8-Y20 PolarHBondContact O-N 3.42Å; C10-Y20 HydrophobicContact CB-CE2 4.18Å; V18-Y20 HydrophobicContact CB-CE2 3.98Å; V18-Y20 HydrophobicContact CG1-CD2 4.25Å; V18-Y20 HydrophobicContact CG1-CE1 4.33Å; V18-Y20 HydrophobicContact CG1-CE2 3.55Å; Y20-I22 PolarHBondContact O-N 3.11Å; Y20-D26 CarbonylContact C-O 3.58Å; Y20-D26 VanDerWaalsContact CA-O 3.23Å; Y20-D26 WeakPolarHBondContact CA-O 3.28Å; Y20-V27 HydrophobicContact CD1-CG2 3.79Å; Y20-V27 HydrophobicContact CE1-CG2 3.35Å
21D95.7Very high96.8Very high7 Ų754.4 Ų54.44%0.03731%0.31CS..EExtended strand (participates in β ladder)trans-71.2123.5165-171.5-63.3000108.6N23 S24 A25 D26 V28 R68D21-N23 PolarHBondContact O-N 3.25Å; D21-N23 WeakPolarHBondContact OD1-CA 3.37Å; D21-N23 VanDerWaalsContact OD1-CB 3.31Å; D21-N23 WeakPolarHBondContact OD1-CB 3.31Å; D21-N23 PolarHBondContact OD1-N 3.16Å; D21-N23 PolarHBondContact OD1-ND2 2.91Å; D21-S24 PolarHBondContact OD1-N 3.43Å; D21-A25 WeakPolarHBondContact O-CA 3.32Å; D21-A25 PolarHBondContact O-N 3.22Å; D21-D26 PolarHBondContact N-O 2.9Å; D21-V28 HydrophobicContact CB-CG1 3.9Å; D21-R68 IonicContact OD2-CZ 3.55Å; D21-R68 IonicContact OD2-NE 3.64Å; D21-R68 IonicContact OD2-NH2 2.66Å; D21-R68 PolarHBondContact OD2-NH2 2.88Å
22I95.6Very high96.7Very high82 Ų8259.9 Ų59.942%0.42133%0.332SS..THydrogen-bonded Turntrans-66.9-27.1-175.2-68.1172.1000111.6I3 D6 L8 Y20I3-I22 HydrophobicContact CD1-CD1 4.3Å; I3-I22 HydrophobicContact CG1-CD1 4.2Å; I3-I22 HydrophobicContact CG2-CD1 3.75Å; D6-I22 WeakPolarHBondContact O-CB 3.48Å; D6-I22 VanDerWaalsContact O-CG1 3.28Å; D6-I22 WeakPolarHBondContact O-CG1 3.48Å; D6-I22 PolarHBondContact O-N 3.36Å; L8-I22 HydrophobicContact CB-CD1 4.46Å; L8-I22 HydrophobicContact CB-CG1 4.07Å; Y20-I22 PolarHBondContact O-N 3.11Å
23N95.6Very high96.7Very high126 Ų12658.4 Ų58.467%0.67432%0.324SS*.THydrogen-bonded Turntrans-82.8-42.3-176.9-56.4-76.5000111.8D21D21-N23 PolarHBondContact O-N 3.25Å; D21-N23 WeakPolarHBondContact OD1-CA 3.37Å; D21-N23 VanDerWaalsContact OD1-CB 3.31Å; D21-N23 WeakPolarHBondContact OD1-CB 3.31Å; D21-N23 PolarHBondContact OD1-N 3.16Å; D21-N23 PolarHBondContact OD1-ND2 2.91Å
24S95.7Very high96.7Very high59 Ų5952.3 Ų52.341%0.41329%0.294SS..THydrogen-bonded Turntrans-94-16-178.879.30000114.1D21 D26D21-S24 PolarHBondContact OD1-N 3.43Å; S24-D26 WeakPolarHBondContact CB-OD2 3.45Å; S24-D26 PolarHBondContact O-N 3.22Å; S24-D26 WeakPolarHBondContact OG-CB 3.2Å; S24-D26 VanDerWaalsContact OG-CG 3.28Å; S24-D26 PolarHBondContact OG-N 3.21Å; S24-D26 PolarHBondContact OG-OD2 2.88Å
25A95Very high96.7Very high76 Ų7652.5 Ų52.563%0.62830%0.297SS*.  trans60.714.5-17100000114.5D21D21-A25 WeakPolarHBondContact O-CA 3.32Å; D21-A25 PolarHBondContact O-N 3.22Å
26D96.3Very high96.7Very high97 Ų9757.7 Ų57.752%0.51932%0.317SS..  trans-81.4146.7177.2-62.6-50.6000111.4Y20 D21 S24 V28Y20-D26 CarbonylContact C-O 3.58Å; Y20-D26 VanDerWaalsContact CA-O 3.23Å; Y20-D26 WeakPolarHBondContact CA-O 3.28Å; D21-D26 PolarHBondContact N-O 2.9Å; S24-D26 WeakPolarHBondContact CB-OD2 3.45Å; S24-D26 PolarHBondContact O-N 3.22Å; S24-D26 WeakPolarHBondContact OG-CB 3.2Å; S24-D26 VanDerWaalsContact OG-CG 3.28Å; S24-D26 PolarHBondContact OG-N 3.21Å; S24-D26 PolarHBondContact OG-OD2 2.88Å; D26-V28 PolarHBondContact O-N 3.29Å
27V96.3Very high96.7Very high70 Ų7056.7 Ų56.742%0.42431%0.313SS..EExtended strand (participates in β ladder)trans-68.9121.7165.9177.50000108.4V18 Y20 E30V18-V27 HydrophobicContact CG1-CG1 3.79Å; V18-V27 HydrophobicContact CG1-CG2 4.09Å; Y20-V27 HydrophobicContact CD1-CG2 3.79Å; Y20-V27 HydrophobicContact CE1-CG2 3.35Å; V27-E30 HydrophobicContact CG1-CG 3.85Å
28V95.9Very high96.8Very high40 Ų4057.4 Ų57.424%0.24232%0.317CS..EExtended strand (participates in β ladder)trans-107.7-17.8179-67.10000112.9A19 D21 D26 V67A19-V28 HydrophobicContact CB-CG2 4.04Å; A19-V28 WeakPolarHBondContact O-CG2 3.2Å; A19-V28 PolarHBondContact O-N 3.11Å; D21-V28 HydrophobicContact CB-CG1 3.9Å; D26-V28 PolarHBondContact O-N 3.29Å; V28-V67 HydrophobicContact CB-CG1 4.32Å; V28-V67 HydrophobicContact CG2-CG1 3.64Å
29L95.4Very high96.8Very high16 Ų1659.3 Ų59.38%0.08433%0.329CS..EExtended strand (participates in β ladder)trans-156.9142-178.9176.169.8000111.2F9 V18 A19 I31 V67 T72F9-L29 HydrophobicContact CE1-CD2 4.4Å; V18-L29 WeakPolarHBondContact CA-O 3.23Å; A19-L29 HydrophobicContact CB-CB 3.95Å; A19-L29 PolarHBondContact N-O 3.44Å; A19-L29 PolarHBondContact O-N 3.49Å; L29-I31 HydrophobicContact CD1-CG1 4.24Å; L29-I31 HydrophobicContact CD2-CD1 3.88Å; L29-I31 HydrophobicContact CD2-CG1 3.89Å; L29-I31 HydrophobicContact CG-CD1 4.48Å; L29-I31 HydrophobicContact CG-CG1 3.93Å; L29-V67 HydrophobicContact CB-CG1 3.69Å; L29-V67 HydrophobicContact CD2-CG1 3.99Å; L29-V67 HydrophobicContact CG-CG1 4.45Å; L29-T72 HydrophobicContact CD1-CG2 4.4Å; L29-T72 HydrophobicContact CD2-CG2 3.45Å; L29-T72 VanDerWaalsContact CD2-CG2 3.45Å
30E96Very high96.9Very high123 Ų12361.9 Ų61.958%0.57534%0.342SS*.EExtended strand (participates in β ladder)trans-130.4129.9166.6-65.6-172.5164.600109.8I17 V18 V27I17-E30 WeakPolarHBondContact O-CA 3.21Å; V18-E30 HydrophobicContact CG1-CG 4.19Å; V18-E30 HydrophobicContact CG2-CG 4.27Å; V27-E30 HydrophobicContact CG1-CG 3.85Å
31I96.6Very high97Very high14 Ų1458.4 Ų58.47%0.07233%0.329CS..EExtended strand (participates in β ladder)trans-119124.8178.4-47.9177.6000108.7L16 I17 L29 A33 W62 T72L16-I31 CarbonylContact C-O 3.54Å; L16-I31 VanDerWaalsContact CA-O 3.25Å; L16-I31 WeakPolarHBondContact CA-O 3.31Å; I17-I31 HydrophobicContact CB-CB 4.25Å; I17-I31 HydrophobicContact CB-CD1 4.48Å; I17-I31 PolarHBondContact N-O 3.32Å; I17-I31 PolarHBondContact O-N 2.89Å; L29-I31 HydrophobicContact CD1-CG1 4.24Å; L29-I31 HydrophobicContact CD2-CD1 3.88Å; L29-I31 HydrophobicContact CD2-CG1 3.89Å; L29-I31 HydrophobicContact CG-CD1 4.48Å; L29-I31 HydrophobicContact CG-CG1 3.93Å; I31-A33 VanDerWaalsContact C-N 3.26Å; I31-A33 HydrophobicContact CG2-CB 4.24Å; I31-A33 PolarHBondContact O-N 2.91Å; I31-W62 HydrophobicContact CD1-CE3 4.31Å; I31-W62 HydrophobicContact CG2-CE3 3.99Å; I31-W62 HydrophobicContact CG2-CH2 3.65Å; I31-W62 HydrophobicContact CG2-CZ2 4.32Å; I31-W62 HydrophobicContact CG2-CZ3 3.45Å; I31-W62 VanDerWaalsContact CG2-CZ3 3.45Å; I31-T72 HydrophobicContact CD1-CG2 4.32Å
32N96.9Very high97.1Very high146 Ų14660.2 Ų60.278%0.78134%0.339SS*.EExtended strand (participates in β ladder)trans-74.482.2167-74.5-82.9000109.4L16L16-N32 HydrophobicContact CD2-CB 4.31Å; L16-N32 WeakPolarHBondContact CD2-OD1 3.31Å
33A98Very high97.2Very high5 Ų557.2 Ų57.24%0.04133%0.327CS..  trans-88.7-38.8-165.200000113.6G15 I17 I31 R60 W62G15-A33 PolarHBondContact O-N 3.12Å; G15-A33 VanDerWaalsContact O-N 3.16Å; I17-A33 HydrophobicContact CB-CB 4.42Å; I17-A33 HydrophobicContact CD1-CB 3.57Å; I17-A33 HydrophobicContact CG1-CB 3.62Å; I31-A33 VanDerWaalsContact C-N 3.26Å; I31-A33 HydrophobicContact CG2-CB 4.24Å; I31-A33 PolarHBondContact O-N 2.91Å; A33-R60 WeakPolarHBondContact O-CD 3.38Å; A33-R60 VanDerWaalsContact O-CZ 3.29Å; A33-R60 PolarHBondContact O-NH1 3.13Å; A33-W62 HydrophobicContact CB-CH2 4.05Å; A33-W62 HydrophobicContact CB-CZ2 3.52Å
34H98.4Very high97.2Very high17 Ų1751.5 Ų51.58%0.07930%0.296CS..  trans-142.4162.9-172-69.9-91.3000111.6G15 V38 S52 S54 D56 F58 R60G15-H34 WeakPolarHBondContact CA-O 3.19Å; G15-H34 PolarHBondContact O-N 3.27Å; H34-V38 HydrophobicContact CB-CG2 4.4Å; H34-S52 PolarHBondContact NE2-OG 2.91Å; H34-S54 WeakPolarHBondContact ND1-CB 3.3Å; H34-D56 WeakPolarHBondContact CA-OD2 3.42Å; H34-D56 VanDerWaalsContact CB-OD2 3.28Å; H34-D56 WeakPolarHBondContact CB-OD2 3.48Å; H34-D56 IonicContact CE1-OD1 2.71Å; H34-D56 IonicContact CG-OD2 3.77Å; H34-D56 VanDerWaalsContact ND1-CG 3.29Å; H34-D56 IonicContact ND1-OD1 3.46Å; H34-D56 PolarHBondContact ND1-OD1 2.78Å; H34-D56 IonicContact ND1-OD2 3.44Å; H34-D56 PolarHBondContact ND1-OD2 2.8Å; H34-F58 PolarHBondContact CE1-O 3.07Å; H34-R60 PolarHBondContact CE1-NH1 3.01Å; H34-R60 VanDerWaalsContact CE1-NH1 3.34Å; H34-R60 VanDerWaalsContact CG-NH1 3.33Å; H34-R60 PolarHBondContact ND1-NH1 3.24Å
35S98.2Very high96.9Very high100 Ų10055 Ų5570%0.69931%0.306SS*.SBendtrans-94.8-2.7177.761.90000114.1D56S35-D56 PolarHBondContact N-OD2 2.87Å; S35-D56 WeakPolarHBondContact OG-CB 3.43Å
36R98.5Very high96.8Very high109 Ų10959.4 Ų59.441%0.41131%0.311SS..SBendtrans-141.4174.1179.8-65.5-170.166.3-165.72.3109G15 V38 S54 E55 D56G15-R36 WeakPolarHBondContact CA-O 3.22Å; R36-V38 PolarHBondContact O-N 3.15Å; R36-S54 PolarHBondContact O-OG 3.28Å; R36-S54 VanDerWaalsContact O-OG 3.1Å; R36-E55 HydrophobicContact CB-CB 4.1Å; R36-E55 IonicContact CZ-OE2 3.86Å; R36-E55 IonicContact NE-OE2 3.02Å; R36-E55 PolarHBondContact NH1-O 2.87Å; R36-E55 IonicContact NH2-OE2 2.77Å; R36-E55 PolarHBondContact NH2-OE2 3.5Å; R36-D56 HydrophobicContact CB-CB 3.9Å; R36-D56 HydrophobicContact CG-CB 4.01Å
37P98.5Very high96.7Very high18 Ų1856.4 Ų56.412%0.11730%0.296CS..  trans-49.2135.5-176.6-30.235.7000113.5T12 M13 T39 S54 E55T12-P37 WeakPolarHBondContact O-CA 3.41Å; M13-P37 HydrophobicContact CE-CB 4.25Å; M13-P37 HydrophobicContact CE-CG 3.61Å; M13-P37 VanDerWaalsContact O-CA 3.26Å; M13-P37 WeakPolarHBondContact O-CA 3.47Å; M13-P37 WeakPolarHBondContact O-CD 3.26Å; M13-P37 VanDerWaalsContact O-CG 3.28Å; M13-P37 WeakPolarHBondContact O-CG 3.21Å; M13-P37 HydrophobicContact SD-CB 3.95Å; M13-P37 HydrophobicContact SD-CG 3.97Å; P37-T39 PolarHBondContact O-N 2.82Å; P37-S54 VanDerWaalsContact O-CA 3.25Å; P37-S54 WeakPolarHBondContact O-CA 3.44Å; P37-S54 VanDerWaalsContact O-CB 3.24Å; P37-S54 WeakPolarHBondContact O-CB 3.32Å; P37-S54 PolarHBondContact O-OG 3.03Å; P37-E55 PolarHBondContact O-N 3.29Å
38V98.8Very high96.6Very high15 Ų1555.4 Ų55.49%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-77.1112.2165.7-179.60000107T12 I17 H34 R36 L41 A53T12-V38 PolarHBondContact O-N 3.44Å; I17-V38 HydrophobicContact CG1-CG2 4.37Å; H34-V38 HydrophobicContact CB-CG2 4.4Å; R36-V38 PolarHBondContact O-N 3.15Å; V38-L41 HydrophobicContact CG1-CD2 3.98Å; V38-L41 HydrophobicContact CG1-CG 4.03Å; V38-A53 CarbonylContact C-O 3.57Å; V38-A53 WeakPolarHBondContact CA-O 3.23Å
39T98.6Very high96.6Very high46 Ų4654.7 Ų54.728%0.28228%0.283SS..EExtended strand (participates in β ladder)trans-89.5-30.3-173.147.80000112.2P37 A53 E55 I85P37-T39 PolarHBondContact O-N 2.82Å; T39-A53 PolarHBondContact N-O 3.02Å; T39-A53 PolarHBondContact OG1-O 2.9Å; T39-E55 HydrophobicContact CG2-CG 3.64Å; T39-I85 WeakPolarHBondContact CB-O 3.14Å; T39-I85 WeakPolarHBondContact CG2-O 3.13Å; T39-I85 PolarHBondContact OG1-O 3.04Å
40D98.5Very high96.7Very high54 Ų5454 Ų5429%0.28928%0.279SS..EExtended strand (participates in β ladder)trans-149.1153.9179.7-1522.7000112.6A53 G87 A88D40-A53 HydrophobicContact CB-CB 4.17Å; D40-A53 PolarHBondContact N-O 3.26Å; D40-A53 PolarHBondContact O-N 2.71Å; D40-G87 VanDerWaalsContact OD2-CA 3.31Å; D40-G87 WeakPolarHBondContact OD2-CA 3.32Å; D40-A88 PolarHBondContact OD2-N 2.67Å
41L98.6Very high96.8Very high7 Ų748.1 Ų48.14%0.03725%0.252CS..EExtended strand (participates in β ladder)trans-140.4135.4174.9-70.1172.5000109.1V2 F9 G11 I17 V38 I50 L51V2-L41 HydrophobicContact CB-CB 4.46Å; V2-L41 HydrophobicContact CG1-CB 3.96Å; F9-L41 HydrophobicContact CB-CD1 4.18Å; G11-L41 VanDerWaalsContact N-CD1 3.31Å; I17-L41 HydrophobicContact CD1-CD2 3.9Å; I17-L41 HydrophobicContact CG1-CD2 4.07Å; I17-L41 HydrophobicContact CG2-CD1 4.4Å; V38-L41 HydrophobicContact CG1-CD2 3.98Å; V38-L41 HydrophobicContact CG1-CG 4.03Å; L41-I50 HydrophobicContact CD2-CG2 3.99Å; L41-L51 VanDerWaalsContact CA-O 3.3Å; L41-L51 WeakPolarHBondContact CA-O 3.44Å; L41-L51 WeakPolarHBondContact CD2-O 3.29Å
42D98.3Very high96.9Very high44 Ų4447.5 Ų47.524%0.23525%0.248CC..EExtended strand (participates in β ladder)trans-133.2151.8173.6-167.722.7000110.4I50 L51 C89 F90D42-I50 CarbonylContact O-C 3.56Å; D42-I50 WeakPolarHBondContact O-CA 3.5Å; D42-L51 HydrophobicContact CB-CB 4.36Å; D42-L51 PolarHBondContact N-O 2.98Å; D42-L51 PolarHBondContact O-N 2.85Å; D42-C89 VanDerWaalsContact OD2-CA 3.27Å; D42-C89 WeakPolarHBondContact OD2-CA 3.27Å; D42-C89 WeakPolarHBondContact OD2-CB 3.48Å; D42-F90 HydrophobicContact CB-CD2 4.23Å; D42-F90 WeakPolarHBondContact OD2-CD2 3.39Å; D42-F90 PolarHBondContact OD2-N 3.38Å
43A97.2Very high96.9Very high20 Ų2040.5 Ų40.517%0.16521%0.211CC..EExtended strand (participates in β ladder)trans-119.9135.6-178.200000110.4V2 Q49 I50V2-A43 HydrophobicContact CB-CB 4.46Å; V2-A43 HydrophobicContact CG1-CB 4.26Å; V2-A43 HydrophobicContact CG2-CB 3.4Å; A43-Q49 WeakPolarHBondContact CA-O 3.45Å; A43-I50 HydrophobicContact CB-CD1 3.71Å
44N95.9Very high97Very high6 Ų640.3 Ų40.33%0.03221%0.209CC..EExtended strand (participates in β ladder)trans-107.9104.1166.1-174.5-16.7000109.3F46 T47 D48 Q49 F90 S93 G95N44-F46 VanDerWaalsContact C-N 3.25Å; N44-F46 PolarHBondContact O-N 3Å; N44-F46 WeakPolarHBondContact OD1-CB 3.36Å; N44-F46 PolarHBondContact OD1-N 2.92Å; N44-T47 WeakPolarHBondContact CB-OG1 3.46Å; N44-T47 PolarHBondContact ND2-OG1 3.19Å; N44-T47 PolarHBondContact O-N 3.29Å; N44-T47 PolarHBondContact OD1-N 2.7Å; N44-D48 PolarHBondContact O-N 2.82Å; N44-D48 VanDerWaalsContact O-N 3.13Å; N44-Q49 HydrophobicContact CB-CB 4.32Å; N44-Q49 PolarHBondContact N-O 2.91Å; N44-Q49 PolarHBondContact O-N 3.32Å; N44-Q49 VanDerWaalsContact O-N 3.12Å; N44-F90 HydrophobicContact CB-CD1 4.29Å; N44-F90 HydrophobicContact CB-CD2 3.74Å; N44-F90 HydrophobicContact CB-CE1 4.19Å; N44-F90 HydrophobicContact CB-CE2 3.65Å; N44-F90 HydrophobicContact CB-CG 4.06Å; N44-F90 HydrophobicContact CB-CZ 3.88Å; N44-S93 PolarHBondContact ND2-O 3.19Å; N44-S93 PolarHBondContact OD1-O 3.09Å; N44-G95 VanDerWaalsContact ND2-CA 3.32Å; N44-G95 WeakPolarHBondContact ND2-CA 3.11Å; N44-G95 PolarHBondContact ND2-N 3.18Å; N44-G95 VanDerWaalsContact ND2-N 3.11Å
45E89.9Confident97Very high132 Ų13242.3 Ų42.362%0.61722%0.219SC*.THydrogen-bonded Turntrans-68.5-21.5-178.8-57.4-168.6153.400113.5Y4Y4-E45 HydrophobicContact CD2-CG 4.41Å
46F92.6Very high97Very high169 Ų16938.3 Ų38.374%0.74119%0.189SC*.THydrogen-bonded Turntrans-80.3-27.3-179.4-65.8-77.5000112.7N44 S93N44-F46 VanDerWaalsContact C-N 3.25Å; N44-F46 PolarHBondContact O-N 3Å; N44-F46 WeakPolarHBondContact OD1-CB 3.36Å; N44-F46 PolarHBondContact OD1-N 2.92Å; F46-S93 WeakPolarHBondContact CB-O 3.37Å
47T93.2Very high96.9Very high34 Ų3434 Ų3421%0.20918%0.176CC..THydrogen-bonded Turntrans-114.84.8-175.459.60000113.4N44 Q49 H63 D94N44-T47 WeakPolarHBondContact CB-OG1 3.46Å; N44-T47 PolarHBondContact ND2-OG1 3.19Å; N44-T47 PolarHBondContact O-N 3.29Å; N44-T47 PolarHBondContact OD1-N 2.7Å; T47-Q49 VanDerWaalsContact C-N 3.25Å; T47-Q49 PolarHBondContact O-N 3.48Å; T47-Q49 WeakPolarHBondContact OG1-CG 3.27Å; T47-Q49 PolarHBondContact OG1-OE1 2.86Å; T47-H63 PolarHBondContact O-CE1 2.87Å; T47-H63 PolarHBondContact O-ND1 2.85Å; T47-D94 WeakPolarHBondContact CG2-O 3.42Å
48D94.4Very high96.9Very high49 Ų4936.5 Ų36.526%0.26219%0.185SC..THydrogen-bonded Turntrans51.845.5-174.9-59.1-31.1000111.5Y4 K5 N44 H63 I64Y4-D48 WeakPolarHBondContact OH-CA 3.46Å; Y4-D48 WeakPolarHBondContact OH-CB 3.2Å; Y4-D48 PolarHBondContact OH-OD1 3.26Å; K5-D48 IonicContact NZ-OD1 2.95Å; K5-D48 PolarHBondContact NZ-OD1 3.29Å; K5-D48 IonicContact NZ-OD2 3.11Å; N44-D48 PolarHBondContact O-N 2.82Å; N44-D48 VanDerWaalsContact O-N 3.13Å; D48-H63 PolarHBondContact O-ND1 2.8Å; D48-H63 VanDerWaalsContact O-ND1 3.17Å; D48-I64 PolarHBondContact O-N 3.29Å
49Q95.6Very high96.9Very high25 Ų2535.8 Ų35.812%0.11718%0.181CC..EExtended strand (participates in β ladder)trans-114.5144.3-177.5-70.2176-9.800112.2A43 N44 T47 I61 W62 F90A43-Q49 WeakPolarHBondContact CA-O 3.45Å; N44-Q49 HydrophobicContact CB-CB 4.32Å; N44-Q49 PolarHBondContact N-O 2.91Å; N44-Q49 PolarHBondContact O-N 3.32Å; N44-Q49 VanDerWaalsContact O-N 3.12Å; T47-Q49 VanDerWaalsContact C-N 3.25Å; T47-Q49 PolarHBondContact O-N 3.48Å; T47-Q49 WeakPolarHBondContact OG1-CG 3.27Å; T47-Q49 PolarHBondContact OG1-OE1 2.86Å; Q49-I61 HydrophobicContact CB-CG2 3.92Å; Q49-I61 HydrophobicContact CG-CG2 3.88Å; Q49-W62 CarbonylContact C-O 3.59Å; Q49-W62 VanDerWaalsContact CA-O 3.22Å; Q49-W62 WeakPolarHBondContact CA-O 3.46Å; Q49-F90 HydrophobicContact CB-CE1 4.47Å; Q49-F90 HydrophobicContact CB-CZ 3.76Å
50I97.4Very high96.8Very high1 Ų135.6 Ų35.61%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-114.5129.3165.4-65.1-78.2000107.6V2 F9 L41 D42 A43 I61 W62 I64V2-I50 HydrophobicContact CG1-CD1 3.65Å; F9-I50 HydrophobicContact CD1-CG1 4.49Å; F9-I50 HydrophobicContact CD2-CD1 4.15Å; F9-I50 HydrophobicContact CE1-CG1 4.48Å; F9-I50 HydrophobicContact CE2-CD1 4.46Å; F9-I50 HydrophobicContact CG-CD1 4.2Å; L41-I50 HydrophobicContact CD2-CG2 3.99Å; D42-I50 CarbonylContact O-C 3.56Å; D42-I50 WeakPolarHBondContact O-CA 3.5Å; A43-I50 HydrophobicContact CB-CD1 3.71Å; I50-I61 CarbonylContact O-C 3.58Å; I50-I61 WeakPolarHBondContact O-CA 3.31Å; I50-W62 HydrophobicContact CB-CB 4.38Å; I50-W62 PolarHBondContact N-O 3.29Å; I50-W62 PolarHBondContact O-N 2.9Å; I50-I64 HydrophobicContact CB-CD1 4.32Å; I50-I64 HydrophobicContact CB-CG1 4.16Å; I50-I64 HydrophobicContact CG1-CD1 3.96Å; I50-I64 HydrophobicContact CG1-CG1 3.48Å; I50-I64 VanDerWaalsContact CG1-CG1 3.48Å
51L98Very high96.7Very high0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-92.7139.4167.5-178.7151000108.8L41 D42 I59 R60 I61 A88 F90 F98L41-L51 VanDerWaalsContact CA-O 3.3Å; L41-L51 WeakPolarHBondContact CA-O 3.44Å; L41-L51 WeakPolarHBondContact CD2-O 3.29Å; D42-L51 HydrophobicContact CB-CB 4.36Å; D42-L51 PolarHBondContact N-O 2.98Å; D42-L51 PolarHBondContact O-N 2.85Å; L51-I59 HydrophobicContact CD1-CG2 4.1Å; L51-I59 HydrophobicContact CD2-CG2 4.08Å; L51-I59 HydrophobicContact CG-CG2 4Å; L51-R60 CarbonylContact C-O 3.56Å; L51-R60 WeakPolarHBondContact CA-O 3.39Å; L51-I61 HydrophobicContact CD1-CD1 4.27Å; L51-A88 HydrophobicContact CD2-CB 3.32Å; L51-F90 HydrophobicContact CB-CD2 4.18Å; L51-F90 HydrophobicContact CB-CE2 3.56Å; L51-F90 HydrophobicContact CB-CZ 3.76Å; L51-F98 HydrophobicContact CD1-CB 3.43Å; L51-F98 VanDerWaalsContact CD1-CB 3.43Å; L51-F98 HydrophobicContact CD1-CD1 4.37Å; L51-F98 HydrophobicContact CD1-CD2 4Å; L51-F98 HydrophobicContact CD1-CG 3.69Å
52S98.6Very high96.6Very high0 Ų033.7 Ų33.70%016%0.163CC..EExtended strand (participates in β ladder)trans-128.8138.517166.90000112H34 I59 R60 W62H34-S52 PolarHBondContact NE2-OG 2.91Å; S52-I59 CarbonylContact O-C 3.53Å; S52-I59 VanDerWaalsContact O-CA 3.29Å; S52-I59 WeakPolarHBondContact O-CA 3.11Å; S52-R60 PolarHBondContact N-O 3.36Å; S52-R60 PolarHBondContact O-N 2.74Å; S52-W62 PolarHBondContact OG-NE1 3.12Å
53A98.5Very high96.5Very high0 Ų035.1 Ų35.10%017%0.168CC..EExtended strand (participates in β ladder)trans-119.9151174.500000111.2V38 T39 D40 I85 A88V38-A53 CarbonylContact C-O 3.57Å; V38-A53 WeakPolarHBondContact CA-O 3.23Å; T39-A53 PolarHBondContact N-O 3.02Å; T39-A53 PolarHBondContact OG1-O 2.9Å; D40-A53 HydrophobicContact CB-CB 4.17Å; D40-A53 PolarHBondContact N-O 3.26Å; D40-A53 PolarHBondContact O-N 2.71Å; A53-I85 HydrophobicContact CB-CB 4.26Å; A53-I85 HydrophobicContact CB-CG2 3.63Å; A53-A88 HydrophobicContact CB-CB 3.7Å
54S98.7Very high96.3Very high0 Ų034.3 Ų34.30%016%0.161CC..EExtended strand (participates in β ladder)trans-150.6157-176.7176.50000113.7H34 R36 P37 D56 S57 F58 I85H34-S54 WeakPolarHBondContact ND1-CB 3.3Å; R36-S54 PolarHBondContact O-OG 3.28Å; R36-S54 VanDerWaalsContact O-OG 3.1Å; P37-S54 VanDerWaalsContact O-CA 3.25Å; P37-S54 WeakPolarHBondContact O-CA 3.44Å; P37-S54 VanDerWaalsContact O-CB 3.24Å; P37-S54 WeakPolarHBondContact O-CB 3.32Å; P37-S54 PolarHBondContact O-OG 3.03Å; S54-D56 VanDerWaalsContact CB-OD1 3.25Å; S54-D56 WeakPolarHBondContact CB-OD1 3.27Å; S54-D56 PolarHBondContact O-N 2.78Å; S54-D56 VanDerWaalsContact O-N 3.15Å; S54-D56 PolarHBondContact OG-N 2.84Å; S54-D56 VanDerWaalsContact OG-N 3.08Å; S54-D56 PolarHBondContact OG-OD1 2.95Å; S54-S57 PolarHBondContact O-N 2.86Å; S54-F58 PolarHBondContact N-O 3.18Å; S54-I85 CarbonylContact C-O 3.56Å; S54-I85 WeakPolarHBondContact O-CB 3.49Å; S54-I85 PolarHBondContact O-N 3.49Å
55E98.3Very high95.9Very high60 Ų6035.7 Ų35.728%0.2818%0.177SC..THydrogen-bonded Turntrans-63.2-10.5167.3-58.9-171.3172.100113.7R36 P37 T39 S57 P84R36-E55 HydrophobicContact CB-CB 4.1Å; R36-E55 IonicContact CZ-OE2 3.86Å; R36-E55 IonicContact NE-OE2 3.02Å; R36-E55 PolarHBondContact NH1-O 2.87Å; R36-E55 IonicContact NH2-OE2 2.77Å; R36-E55 PolarHBondContact NH2-OE2 3.5Å; P37-E55 PolarHBondContact O-N 3.29Å; T39-E55 HydrophobicContact CG2-CG 3.64Å; E55-S57 PolarHBondContact O-N 2.95Å; E55-S57 VanDerWaalsContact O-N 3.15Å; E55-P84 HydrophobicContact CB-CB 4.3Å
56D98.3Very high95.9Very high16 Ų1632.6 Ų32.69%0.08617%0.165CC..THydrogen-bonded Turntrans-70.11.6171.475.7-1.8000113.2H34 S35 R36 S54 F58 R60H34-D56 WeakPolarHBondContact CA-OD2 3.42Å; H34-D56 VanDerWaalsContact CB-OD2 3.28Å; H34-D56 WeakPolarHBondContact CB-OD2 3.48Å; H34-D56 IonicContact CE1-OD1 2.71Å; H34-D56 IonicContact CG-OD2 3.77Å; H34-D56 VanDerWaalsContact ND1-CG 3.29Å; H34-D56 IonicContact ND1-OD1 3.46Å; H34-D56 PolarHBondContact ND1-OD1 2.78Å; H34-D56 IonicContact ND1-OD2 3.44Å; H34-D56 PolarHBondContact ND1-OD2 2.8Å; S35-D56 PolarHBondContact N-OD2 2.87Å; S35-D56 WeakPolarHBondContact OG-CB 3.43Å; R36-D56 HydrophobicContact CB-CB 3.9Å; R36-D56 HydrophobicContact CG-CB 4.01Å; S54-D56 VanDerWaalsContact CB-OD1 3.25Å; S54-D56 WeakPolarHBondContact CB-OD1 3.27Å; S54-D56 PolarHBondContact O-N 2.78Å; S54-D56 VanDerWaalsContact O-N 3.15Å; S54-D56 PolarHBondContact OG-N 2.84Å; S54-D56 VanDerWaalsContact OG-N 3.08Å; S54-D56 PolarHBondContact OG-OD1 2.95Å; D56-F58 HydrophobicContact CB-CD2 4.46Å; D56-F58 VanDerWaalsContact O-CD2 3.3Å; D56-F58 WeakPolarHBondContact O-CD2 3.38Å; D56-F58 PolarHBondContact O-N 3.37Å; D56-F58 WeakPolarHBondContact OD1-CA 3.44Å; D56-F58 VanDerWaalsContact OD1-CB 3.27Å; D56-F58 WeakPolarHBondContact OD1-CB 3.33Å; D56-F58 PolarHBondContact OD1-N 3.09Å; D56-R60 IonicContact OD2-NH1 3.79Å; D56-R60 PolarHBondContact OD2-NH1 3.26Å; D56-R60 VanDerWaalsContact OD2-NH1 3.11Å
57S97.6Very high95.5Very high19 Ų1924.7 Ų24.713%0.13313%0.13CC..SBendtrans73.44.3-177.6-46.80000114.7S54 E55 S79 I80 V83S54-S57 PolarHBondContact O-N 2.86Å; E55-S57 PolarHBondContact O-N 2.95Å; E55-S57 VanDerWaalsContact O-N 3.15Å; S57-S79 WeakPolarHBondContact O-CA 3.39Å; S57-S79 WeakPolarHBondContact O-CB 3.22Å; S57-I80 WeakPolarHBondContact CB-O 3.32Å; S57-I80 PolarHBondContact O-N 2.84Å; S57-V83 VanDerWaalsContact CA-O 3.3Å; S57-V83 WeakPolarHBondContact CA-O 3.3Å; S57-V83 VanDerWaalsContact CB-O 3.32Å; S57-V83 WeakPolarHBondContact CB-O 3.49Å; S57-V83 PolarHBondContact OG-N 3.45Å; S57-V83 PolarHBondContact OG-O 2.89Å; S57-V83 VanDerWaalsContact OG-O 3.12Å
58F98Very high94.9Very high70 Ų7031.3 Ų31.331%0.30715%0.151SC..EExtended strand (participates in β ladder)trans-97.5148.2176.1-70.5-100.5000112.3H34 S54 D56 T78H34-F58 PolarHBondContact CE1-O 3.07Å; S54-F58 PolarHBondContact N-O 3.18Å; D56-F58 HydrophobicContact CB-CD2 4.46Å; D56-F58 VanDerWaalsContact O-CD2 3.3Å; D56-F58 WeakPolarHBondContact O-CD2 3.38Å; D56-F58 PolarHBondContact O-N 3.37Å; D56-F58 WeakPolarHBondContact OD1-CA 3.44Å; D56-F58 VanDerWaalsContact OD1-CB 3.27Å; D56-F58 WeakPolarHBondContact OD1-CB 3.33Å; D56-F58 PolarHBondContact OD1-N 3.09Å; F58-T78 VanDerWaalsContact CA-O 3.29Å; F58-T78 WeakPolarHBondContact CA-O 3.46Å; F58-T78 WeakPolarHBondContact CD1-O 3.36Å
59I97.8Very high94.7Very high0 Ų035.1 Ų35.10%017%0.167CC..EExtended strand (participates in β ladder)trans-119.5129.9163.6-56.6129.7000106.7L51 S52 T78 I80 I85 F98 A100 F111L51-I59 HydrophobicContact CD1-CG2 4.1Å; L51-I59 HydrophobicContact CD2-CG2 4.08Å; L51-I59 HydrophobicContact CG-CG2 4Å; S52-I59 CarbonylContact O-C 3.53Å; S52-I59 VanDerWaalsContact O-CA 3.29Å; S52-I59 WeakPolarHBondContact O-CA 3.11Å; I59-T78 HydrophobicContact CB-CG2 4.26Å; I59-T78 HydrophobicContact CD1-CG2 4.39Å; I59-T78 PolarHBondContact N-O 2.95Å; I59-T78 PolarHBondContact O-N 3.16Å; I59-I80 HydrophobicContact CD1-CD1 4.28Å; I59-I85 HydrophobicContact CD1-CD1 4.38Å; I59-I85 HydrophobicContact CD1-CG1 4.27Å; I59-I85 HydrophobicContact CG1-CG1 4.21Å; I59-I85 HydrophobicContact CG1-CG2 4.2Å; I59-F98 HydrophobicContact CB-CE2 4.22Å; I59-F98 HydrophobicContact CD1-CE2 4.34Å; I59-F98 HydrophobicContact CG2-CD2 4.01Å; I59-F98 HydrophobicContact CG2-CE2 3.76Å; I59-F98 HydrophobicContact CG2-CZ 4.48Å; I59-A100 HydrophobicContact CD1-CB 3.55Å; I59-A100 HydrophobicContact CG1-CB 4.2Å; I59-F111 HydrophobicContact CD1-CE2 3.92Å; I59-F111 HydrophobicContact CD1-CZ 4.26Å
60R97.7Very high94.1Very high42 Ų4235.7 Ų35.716%0.15818%0.181CC..EExtended strand (participates in β ladder)trans-124.5147.3-177.8-67.3178.7173.8105.58.5110.5A33 H34 L51 S52 D56 W62 F76A33-R60 WeakPolarHBondContact O-CD 3.38Å; A33-R60 VanDerWaalsContact O-CZ 3.29Å; A33-R60 PolarHBondContact O-NH1 3.13Å; H34-R60 PolarHBondContact CE1-NH1 3.01Å; H34-R60 VanDerWaalsContact CE1-NH1 3.34Å; H34-R60 VanDerWaalsContact CG-NH1 3.33Å; H34-R60 PolarHBondContact ND1-NH1 3.24Å; L51-R60 CarbonylContact C-O 3.56Å; L51-R60 WeakPolarHBondContact CA-O 3.39Å; S52-R60 PolarHBondContact N-O 3.36Å; S52-R60 PolarHBondContact O-N 2.74Å; D56-R60 IonicContact OD2-NH1 3.79Å; D56-R60 PolarHBondContact OD2-NH1 3.26Å; D56-R60 VanDerWaalsContact OD2-NH1 3.11Å; R60-W62 HydrophobicContact CB-CZ2 4Å; R60-W62 HydrophobicContact CG-CZ2 4.46Å; R60-F76 CarbonylContact C-O 3.58Å; R60-F76 WeakPolarHBondContact CA-O 3.43Å
61I96.9Very high93.8Very high0 Ų040.7 Ų40.70%020%0.204CC..EExtended strand (participates in β ladder)trans-114.9132.3170.8-51.3-133.7000108.1Q49 I50 L51 C74 S75 F76 F90 F98 Q113Q49-I61 HydrophobicContact CB-CG2 3.92Å; Q49-I61 HydrophobicContact CG-CG2 3.88Å; I50-I61 CarbonylContact O-C 3.58Å; I50-I61 WeakPolarHBondContact O-CA 3.31Å; L51-I61 HydrophobicContact CD1-CD1 4.27Å; I61-C74 CarbonylContact O-C 3.6Å; I61-C74 WeakPolarHBondContact O-CA 3.37Å; I61-S75 PolarHBondContact O-N 3.44Å; I61-S75 PolarHBondContact O-OG 3.34Å; I61-F76 HydrophobicContact CB-CB 4.01Å; I61-F76 HydrophobicContact CG1-CB 4.15Å; I61-F76 HydrophobicContact CG1-CD1 4.31Å; I61-F76 PolarHBondContact N-O 2.84Å; I61-F76 PolarHBondContact O-N 2.65Å; I61-F90 HydrophobicContact CD1-CD1 4.5Å; I61-F90 HydrophobicContact CD1-CE1 3.52Å; I61-F90 HydrophobicContact CD1-CZ 3.9Å; I61-F90 HydrophobicContact CG2-CZ 4.38Å; I61-F98 HydrophobicContact CD1-CD1 3.95Å; I61-F98 HydrophobicContact CD1-CE1 4.22Å; I61-Q113 VanDerWaalsContact CG1-NE2 3.35Å
62W96.6Very high93.5Very high20 Ų2042.4 Ų42.48%0.07621%0.214CC..EExtended strand (participates in β ladder)trans-116.2130.3-178.3-52.287.2000108.5I31 A33 Q49 I50 S52 R60 I64 N73 C74I31-W62 HydrophobicContact CD1-CE3 4.31Å; I31-W62 HydrophobicContact CG2-CE3 3.99Å; I31-W62 HydrophobicContact CG2-CH2 3.65Å; I31-W62 HydrophobicContact CG2-CZ2 4.32Å; I31-W62 HydrophobicContact CG2-CZ3 3.45Å; I31-W62 VanDerWaalsContact CG2-CZ3 3.45Å; A33-W62 HydrophobicContact CB-CH2 4.05Å; A33-W62 HydrophobicContact CB-CZ2 3.52Å; Q49-W62 CarbonylContact C-O 3.59Å; Q49-W62 VanDerWaalsContact CA-O 3.22Å; Q49-W62 WeakPolarHBondContact CA-O 3.46Å; I50-W62 HydrophobicContact CB-CB 4.38Å; I50-W62 PolarHBondContact N-O 3.29Å; I50-W62 PolarHBondContact O-N 2.9Å; S52-W62 PolarHBondContact OG-NE1 3.12Å; R60-W62 HydrophobicContact CB-CZ2 4Å; R60-W62 HydrophobicContact CG-CZ2 4.46Å; W62-I64 HydrophobicContact CB-CD1 4.01Å; W62-N73 CarbonylContact C-O 3.54Å; W62-N73 VanDerWaalsContact CA-O 3.32Å; W62-N73 WeakPolarHBondContact CA-O 3.25Å; W62-C74 HydrophobicContact CD2-CB 4.39Å; W62-C74 HydrophobicContact CE3-CB 3.79Å; W62-C74 HydrophobicContact CH2-CB 3.99Å; W62-C74 HydrophobicContact CZ3-CB 3.57Å
63H94.9Very high93.3Very high74 Ų7446.4 Ų46.434%0.34324%0.236SC..EExtended strand (participates in β ladder)trans-88.2131.4166.2-168.864.9000109.1T47 D48 T72 N73T47-H63 PolarHBondContact O-CE1 2.87Å; T47-H63 PolarHBondContact O-ND1 2.85Å; D48-H63 PolarHBondContact O-ND1 2.8Å; D48-H63 VanDerWaalsContact O-ND1 3.17Å; H63-T72 WeakPolarHBondContact O-CA 3.29Å; H63-N73 PolarHBondContact N-O 3.32Å; H63-N73 PolarHBondContact O-N 2.91Å
64I92.6Very high93.2Very high3 Ų349.1 Ų49.12%0.01525%0.254CS..EExtended strand (participates in β ladder)trans-110.597.8-173.9-53.4-56.3000108.8Y4 F9 D48 I50 W62 V67 T72Y4-I64 HydrophobicContact CD1-CG2 4.22Å; Y4-I64 HydrophobicContact CE1-CB 3.95Å; Y4-I64 HydrophobicContact CE1-CG2 3.72Å; F9-I64 HydrophobicContact CE1-CD1 4.23Å; F9-I64 HydrophobicContact CZ-CG2 4.01Å; D48-I64 PolarHBondContact O-N 3.29Å; I50-I64 HydrophobicContact CB-CD1 4.32Å; I50-I64 HydrophobicContact CB-CG1 4.16Å; I50-I64 HydrophobicContact CG1-CD1 3.96Å; I50-I64 HydrophobicContact CG1-CG1 3.48Å; I50-I64 VanDerWaalsContact CG1-CG1 3.48Å; W62-I64 HydrophobicContact CB-CD1 4.01Å; I64-V67 HydrophobicContact CG2-CG2 3.19Å; I64-T72 HydrophobicContact CD1-CG2 3.78Å
65G89.2Confident93Very high36 Ų3651.9 Ų51.937%0.37127%0.273SS..  trans-82.3-134.2173.300000111.4V67 Q71G65-V67 PolarHBondContact O-N 2.82Å; G65-Q71 WeakPolarHBondContact CA-O 3.29Å; G65-Q71 PolarHBondContact N-O 2.89Å
66N88.7Confident92.8Very high67 Ų6751.6 Ų51.636%0.35827%0.271SS..  trans-73.895.8172.7-170.7-16000110.8R68 E69 G70 Q71N66-R68 VanDerWaalsContact C-N 3.25Å; N66-R68 PolarHBondContact O-N 2.85Å; N66-R68 PolarHBondContact OD1-N 2.82Å; N66-R68 VanDerWaalsContact OD1-N 3.15Å; N66-E69 HydrophobicContact CB-CB 4.15Å; N66-E69 HydrophobicContact CB-CG 4.34Å; N66-E69 WeakPolarHBondContact ND2-CG 3.32Å; N66-E69 PolarHBondContact ND2-OE1 2.81Å; N66-E69 CarbonylContact O-C 3.53Å; N66-E69 PolarHBondContact O-N 3.06Å; N66-E69 PolarHBondContact OD1-N 2.88Å; N66-G70 PolarHBondContact O-N 2.87Å; N66-Q71 PolarHBondContact O-N 2.87Å
67V84Confident92.7Very high2 Ų253.6 Ų53.61%0.01229%0.287CS..G310 helixtrans-57.3-37.2179.3177.40000112.4M7 F9 A19 V28 L29 I64 G65 E69 G70M7-V67 HydrophobicContact CE-CB 3.72Å; M7-V67 HydrophobicContact CE-CG1 4.23Å; M7-V67 HydrophobicContact CE-CG2 4.16Å; M7-V67 HydrophobicContact SD-CB 3.44Å; M7-V67 WeakPolarHBondContact SD-CB 3.43Å; M7-V67 HydrophobicContact SD-CG1 3.59Å; M7-V67 VanDerWaalsContact SD-CG1 3.59Å; M7-V67 HydrophobicContact SD-CG2 3.45Å; M7-V67 WeakPolarHBondContact SD-CG2 3.37Å; F9-V67 HydrophobicContact CZ-CG2 4.21Å; A19-V67 HydrophobicContact CB-CG1 4.32Å; V28-V67 HydrophobicContact CB-CG1 4.32Å; V28-V67 HydrophobicContact CG2-CG1 3.64Å; L29-V67 HydrophobicContact CB-CG1 3.69Å; L29-V67 HydrophobicContact CD2-CG1 3.99Å; L29-V67 HydrophobicContact CG-CG1 4.45Å; I64-V67 HydrophobicContact CG2-CG2 3.19Å; G65-V67 PolarHBondContact O-N 2.82Å; V67-E69 PolarHBondContact O-N 3.44Å; V67-G70 WeakPolarHBondContact O-CA 3.37Å; V67-G70 PolarHBondContact O-N 2.94Å
68R81.7Confident92.6Very high174 Ų17454.3 Ų54.366%0.65729%0.29SS*.G310 helixtrans-68.5-19.5179.5-65.8-176.3174.8-172.8-0.8112.8D21 N66D21-R68 IonicContact OD2-CZ 3.55Å; D21-R68 IonicContact OD2-NE 3.64Å; D21-R68 IonicContact OD2-NH2 2.66Å; D21-R68 PolarHBondContact OD2-NH2 2.88Å; N66-R68 VanDerWaalsContact C-N 3.25Å; N66-R68 PolarHBondContact O-N 2.85Å; N66-R68 PolarHBondContact OD1-N 2.82Å; N66-R68 VanDerWaalsContact OD1-N 3.15Å
69E88.8Confident92.5Very high128 Ų12853.6 Ų53.660%0.59829%0.294SS*.G310 helixtrans-975.4171.1-68.8177-162.700112.4N66 V67 Q71N66-E69 HydrophobicContact CB-CB 4.15Å; N66-E69 HydrophobicContact CB-CG 4.34Å; N66-E69 WeakPolarHBondContact ND2-CG 3.32Å; N66-E69 PolarHBondContact ND2-OE1 2.81Å; N66-E69 CarbonylContact O-C 3.53Å; N66-E69 PolarHBondContact O-N 3.06Å; N66-E69 PolarHBondContact OD1-N 2.88Å; V67-E69 PolarHBondContact O-N 3.44Å; E69-Q71 HydrophobicContact CB-CG 3.99Å; E69-Q71 PolarHBondContact O-N 3.02Å; E69-Q71 PolarHBondContact OE2-NE2 2.97Å
70G84.6Confident92.4Very high38 Ų3854.8 Ų54.839%0.39230%0.3SS..THydrogen-bonded Turntrans69.415.5-17700000114.1N66 V67 T72N66-G70 PolarHBondContact O-N 2.87Å; V67-G70 WeakPolarHBondContact O-CA 3.37Å; V67-G70 PolarHBondContact O-N 2.94Å; G70-T72 PolarHBondContact O-N 3.43Å
71Q89.3Confident92.2Very high105 Ų10556.5 Ų56.549%0.49132%0.323SS..  trans-75.489.5-176.3-65.2-171.55.300110.9G65 N66 E69G65-Q71 WeakPolarHBondContact CA-O 3.29Å; G65-Q71 PolarHBondContact N-O 2.89Å; N66-Q71 PolarHBondContact O-N 2.87Å; E69-Q71 HydrophobicContact CB-CG 3.99Å; E69-Q71 PolarHBondContact O-N 3.02Å; E69-Q71 PolarHBondContact OE2-NE2 2.97Å
72T92.8Very high92.1Very high37 Ų3763.4 Ų63.423%0.22736%0.36CS..EExtended strand (participates in β ladder)trans-136.5147.2172.361.90000110.8L29 I31 H63 I64 G70L29-T72 HydrophobicContact CD1-CG2 4.4Å; L29-T72 HydrophobicContact CD2-CG2 3.45Å; L29-T72 VanDerWaalsContact CD2-CG2 3.45Å; I31-T72 HydrophobicContact CD1-CG2 4.32Å; H63-T72 WeakPolarHBondContact O-CA 3.29Å; I64-T72 HydrophobicContact CD1-CG2 3.78Å; G70-T72 PolarHBondContact O-N 3.43Å
73N94.9Very high92.1Very high84 Ų8462.7 Ų62.745%0.44936%0.358SS..EExtended strand (participates in β ladder)trans-143.2141.6173.968.1-78.1000111.1W62 H63 S75W62-N73 CarbonylContact C-O 3.54Å; W62-N73 VanDerWaalsContact CA-O 3.32Å; W62-N73 WeakPolarHBondContact CA-O 3.25Å; H63-N73 PolarHBondContact N-O 3.32Å; H63-N73 PolarHBondContact O-N 2.91Å; N73-S75 PolarHBondContact O-N 2.79Å
74C95.9Very high92.3Very high56 Ų5660.9 Ų60.938%0.37835%0.353SS..EExtended strand (participates in β ladder)trans-73.5109.5168.5-172.90000108.2I61 W62 F76I61-C74 CarbonylContact O-C 3.6Å; I61-C74 WeakPolarHBondContact O-CA 3.37Å; W62-C74 HydrophobicContact CD2-CB 4.39Å; W62-C74 HydrophobicContact CE3-CB 3.79Å; W62-C74 HydrophobicContact CH2-CB 3.99Å; W62-C74 HydrophobicContact CZ3-CB 3.57Å; C74-F76 PolarHBondContact SG-O 2.95Å
75S93.9Very high92.5Very high58 Ų5860.7 Ų60.741%0.40635%0.352SS..EExtended strand (participates in β ladder)trans-89.6-25.2-17958.10000112.5I61 N73I61-S75 PolarHBondContact O-N 3.44Å; I61-S75 PolarHBondContact O-OG 3.34Å; N73-S75 PolarHBondContact O-N 2.79Å
76F95Very high92.9Very high55 Ų5561.9 Ų61.924%0.24135%0.352CS..EExtended strand (participates in β ladder)trans-149.1142.8-178.8-174.6-88.7000110.9R60 I61 C74 T78 F98 Q113R60-F76 CarbonylContact C-O 3.58Å; R60-F76 WeakPolarHBondContact CA-O 3.43Å; I61-F76 HydrophobicContact CB-CB 4.01Å; I61-F76 HydrophobicContact CG1-CB 4.15Å; I61-F76 HydrophobicContact CG1-CD1 4.31Å; I61-F76 PolarHBondContact N-O 2.84Å; I61-F76 PolarHBondContact O-N 2.65Å; C74-F76 PolarHBondContact SG-O 2.95Å; F76-T78 HydrophobicContact CE1-CG2 3.74Å; F76-T78 HydrophobicContact CZ-CG2 4.48Å; F76-F98 HydrophobicContact CD1-CE1 4.19Å; F76-F98 HydrophobicContact CD1-CZ 4.22Å; F76-F98 AromaticContact CE1-CE1 3.87Å; F76-F98 HydrophobicContact CE1-CE1 3.87Å; F76-F98 AromaticContact CE1-CZ 3.65Å; F76-F98 HydrophobicContact CE1-CZ 3.65Å; F76-F98 HydrophobicContact CZ-CZ 4.48Å; F76-Q113 HydrophobicContact CD1-CG 4.41Å; F76-Q113 HydrophobicContact CD2-CB 4.46Å; F76-Q113 HydrophobicContact CD2-CG 3.85Å; F76-Q113 HydrophobicContact CE2-CB 4.4Å; F76-Q113 HydrophobicContact CE2-CG 3.97Å; F76-Q113 HydrophobicContact CG-CG 4.08Å; F76-Q113 HydrophobicContact CZ-CG 4.31Å
77S96.1Very high93.4Very high58 Ų5859.2 Ų59.241%0.40634%0.34SS..EExtended strand (participates in β ladder)trans-145.4124.1177.2-179.10000109.2
78T96Very high94Very high34 Ų3459.4 Ų59.421%0.20934%0.341CS..EExtended strand (participates in β ladder)trans-132.8167.4172.5-165.80000110.2F58 I59 F76 F98 F111F58-T78 VanDerWaalsContact CA-O 3.29Å; F58-T78 WeakPolarHBondContact CA-O 3.46Å; F58-T78 WeakPolarHBondContact CD1-O 3.36Å; I59-T78 HydrophobicContact CB-CG2 4.26Å; I59-T78 HydrophobicContact CD1-CG2 4.39Å; I59-T78 PolarHBondContact N-O 2.95Å; I59-T78 PolarHBondContact O-N 3.16Å; F76-T78 HydrophobicContact CE1-CG2 3.74Å; F76-T78 HydrophobicContact CZ-CG2 4.48Å; T78-F98 HydrophobicContact CG2-CE2 4.05Å; T78-F98 HydrophobicContact CG2-CZ 3.8Å; T78-F111 HydrophobicContact CG2-CD1 3.97Å; T78-F111 HydrophobicContact CG2-CE1 3.88Å; T78-F111 HydrophobicContact CG2-CZ 4.33Å
79S95.9Very high94.8Very high55 Ų5553.8 Ų53.839%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-145.9157.4175.560.60000112.5S57S57-S79 WeakPolarHBondContact O-CA 3.39Å; S57-S79 WeakPolarHBondContact O-CB 3.22Å
80I95.3Very high95.2Very high24 Ų2448.9 Ų48.912%0.12331%0.305CS..  trans-114.6106.1170.4-55.4157.8000106.6S57 I59 N82 V83 I85 F109 F111S57-I80 WeakPolarHBondContact CB-O 3.32Å; S57-I80 PolarHBondContact O-N 2.84Å; I59-I80 HydrophobicContact CD1-CD1 4.28Å; I80-N82 PolarHBondContact O-N 2.84Å; I80-V83 HydrophobicContact CB-CB 4Å; I80-V83 HydrophobicContact CB-CG2 4.16Å; I80-V83 HydrophobicContact CG2-CB 3.79Å; I80-V83 HydrophobicContact CG2-CG1 4.5Å; I80-V83 HydrophobicContact CG2-CG2 3.39Å; I80-V83 PolarHBondContact O-N 2.87Å; I80-V83 VanDerWaalsContact O-N 3.09Å; I80-I85 HydrophobicContact CB-CD1 4.37Å; I80-I85 HydrophobicContact CD1-CD1 3.63Å; I80-I85 HydrophobicContact CG1-CD1 4.42Å; I80-F109 HydrophobicContact CD1-CB 3.64Å; I80-F109 HydrophobicContact CD1-CD1 3.72Å; I80-F109 HydrophobicContact CD1-CD2 3.48Å; I80-F109 VanDerWaalsContact CD1-CD2 3.48Å; I80-F109 HydrophobicContact CD1-CE1 4.2Å; I80-F109 HydrophobicContact CD1-CE2 4Å; I80-F109 HydrophobicContact CD1-CG 3.32Å; I80-F109 HydrophobicContact CD1-CZ 4.33Å; I80-F109 HydrophobicContact CG1-CD1 4.31Å; I80-F109 HydrophobicContact CG1-CG 4.35Å; I80-F109 HydrophobicContact CG2-CD1 4.27Å; I80-F109 HydrophobicContact CG2-CE1 3.85Å; I80-F109 HydrophobicContact CG2-CZ 4.09Å; I80-F111 HydrophobicContact CD1-CE2 3.96Å; I80-F111 HydrophobicContact CD1-CZ 3.69Å; I80-F111 HydrophobicContact CG1-CE2 4.37Å; I80-F111 HydrophobicContact CG1-CZ 3.59Å
81A93.8Very high95.8Very high79 Ų7949.2 Ų49.265%0.65330%0.304SS*.THydrogen-bonded Turntrans-53125.4-171.400000112.2V83A81-V83 VanDerWaalsContact C-N 3.3Å; A81-V83 PolarHBondContact O-N 2.9Å
82N94.2Very high96Very high145 Ų14546.3 Ų46.378%0.77529%0.292SS*.THydrogen-bonded Turntrans6229.5178.3-49.1-55.1000114.9I80I80-N82 PolarHBondContact O-N 2.84Å
83V96.9Very high96.1Very high4 Ų448.2 Ų48.22%0.02431%0.307CS..  trans-119.3105.3175-176.60000109.3S57 I80 A81 I85 Y105 F109S57-V83 VanDerWaalsContact CA-O 3.3Å; S57-V83 WeakPolarHBondContact CA-O 3.3Å; S57-V83 VanDerWaalsContact CB-O 3.32Å; S57-V83 WeakPolarHBondContact CB-O 3.49Å; S57-V83 PolarHBondContact OG-N 3.45Å; S57-V83 PolarHBondContact OG-O 2.89Å; S57-V83 VanDerWaalsContact OG-O 3.12Å; I80-V83 HydrophobicContact CB-CB 4Å; I80-V83 HydrophobicContact CB-CG2 4.16Å; I80-V83 HydrophobicContact CG2-CB 3.79Å; I80-V83 HydrophobicContact CG2-CG1 4.5Å; I80-V83 HydrophobicContact CG2-CG2 3.39Å; I80-V83 PolarHBondContact O-N 2.87Å; I80-V83 VanDerWaalsContact O-N 3.09Å; A81-V83 VanDerWaalsContact C-N 3.3Å; A81-V83 PolarHBondContact O-N 2.9Å; V83-I85 HydrophobicContact CB-CD1 4.27Å; V83-I85 HydrophobicContact CG1-CD1 3.94Å; V83-I85 WeakPolarHBondContact O-CD1 3.33Å; V83-I85 PolarHBondContact O-N 3.22Å; V83-I85 VanDerWaalsContact O-N 3.09Å; V83-Y105 HydrophobicContact CB-CE2 4.26Å; V83-Y105 HydrophobicContact CG1-CD2 3.78Å; V83-Y105 HydrophobicContact CG1-CE2 3.75Å; V83-Y105 HydrophobicContact CG1-CG 4.35Å; V83-Y105 HydrophobicContact CG2-CE1 3.99Å; V83-Y105 HydrophobicContact CG2-CE2 3.87Å; V83-F109 HydrophobicContact CG1-CE2 4.07Å; V83-F109 HydrophobicContact CG1-CZ 4.3Å; V83-F109 HydrophobicContact CG2-CZ 4.45Å
84P97.8Very high96Very high36 Ų3648.7 Ų48.723%0.23431%0.309CS..  trans-60.5114.5169-19.231.9000109.2E55 G102 Y103E55-P84 HydrophobicContact CB-CB 4.3Å; P84-G102 WeakPolarHBondContact O-CA 3.48Å; P84-Y103 PolarHBondContact O-N 3.41Å
85I98.2Very high95.9Very high0 Ų046.1 Ų46.10%029%0.292CS..EExtended strand (participates in β ladder)trans-80.7130.9-179.4-48.1-56.5000108.4T39 A53 S54 I59 I80 V83 G87 A100 S101T39-I85 WeakPolarHBondContact CB-O 3.14Å; T39-I85 WeakPolarHBondContact CG2-O 3.13Å; T39-I85 PolarHBondContact OG1-O 3.04Å; A53-I85 HydrophobicContact CB-CB 4.26Å; A53-I85 HydrophobicContact CB-CG2 3.63Å; S54-I85 CarbonylContact C-O 3.56Å; S54-I85 WeakPolarHBondContact O-CB 3.49Å; S54-I85 PolarHBondContact O-N 3.49Å; I59-I85 HydrophobicContact CD1-CD1 4.38Å; I59-I85 HydrophobicContact CD1-CG1 4.27Å; I59-I85 HydrophobicContact CG1-CG1 4.21Å; I59-I85 HydrophobicContact CG1-CG2 4.2Å; I80-I85 HydrophobicContact CB-CD1 4.37Å; I80-I85 HydrophobicContact CD1-CD1 3.63Å; I80-I85 HydrophobicContact CG1-CD1 4.42Å; V83-I85 HydrophobicContact CB-CD1 4.27Å; V83-I85 HydrophobicContact CG1-CD1 3.94Å; V83-I85 WeakPolarHBondContact O-CD1 3.33Å; V83-I85 PolarHBondContact O-N 3.22Å; V83-I85 VanDerWaalsContact O-N 3.09Å; I85-G87 WeakPolarHBondContact CG2-O 3.3Å; I85-A100 HydrophobicContact CG2-CB 4.04Å; I85-S101 WeakPolarHBondContact CA-O 3.25Å; I85-S101 WeakPolarHBondContact CG2-O 3.26Å
86V98Very high95.9Very high61 Ų6145.2 Ų45.237%0.3729%0.286SS..EExtended strand (participates in β ladder)trans-116.2-11.4-175.1-63.90000113.6S101 Y103V86-S101 PolarHBondContact N-O 3.15Å; V86-Y103 HydrophobicContact CG1-CD2 4.31Å
87G97.8Very high95.9Very high10 Ų1042.6 Ų42.610%0.10327%0.274CS..EExtended strand (participates in β ladder)trans-161.4150.1177.400000110.6D40 I85 A100 S101D40-G87 VanDerWaalsContact OD2-CA 3.31Å; D40-G87 WeakPolarHBondContact OD2-CA 3.32Å; I85-G87 WeakPolarHBondContact CG2-O 3.3Å; G87-A100 CarbonylContact O-C 3.43Å; G87-A100 WeakPolarHBondContact O-CA 3.24Å; G87-S101 WeakPolarHBondContact CA-OG 3.3Å; G87-S101 PolarHBondContact N-OG 3.08Å; G87-S101 PolarHBondContact O-N 2.89Å; G87-S101 PolarHBondContact O-OG 2.87Å
88A97.8Very high96Very high6 Ų639.9 Ų39.95%0.0526%0.255CS..EExtended strand (participates in β ladder)trans-160.5147.1171.200000112.1D40 L51 A53 I99 A100D40-A88 PolarHBondContact OD2-N 2.67Å; L51-A88 HydrophobicContact CD2-CB 3.32Å; A53-A88 HydrophobicContact CB-CB 3.7Å; A88-I99 CarbonylContact C-O 3.48Å; A88-I99 WeakPolarHBondContact CA-O 3.36Å; A88-I99 WeakPolarHBondContact CB-O 3.43Å; A88-A100 HydrophobicContact CB-CB 4.2Å
89C97.5Very high96Very high56 Ų5640.7 Ų40.738%0.37826%0.258SS..EExtended strand (participates in β ladder)trans-146.7153.9178.161.70000112D42 A91 F98 I99D42-C89 VanDerWaalsContact OD2-CA 3.27Å; D42-C89 WeakPolarHBondContact OD2-CA 3.27Å; D42-C89 WeakPolarHBondContact OD2-CB 3.48Å; C89-A91 PolarHBondContact O-N 3.03Å; C89-F98 CarbonylContact O-C 3.51Å; C89-F98 WeakPolarHBondContact O-CA 3.34Å; C89-F98 VanDerWaalsContact O-CB 3.26Å; C89-F98 WeakPolarHBondContact O-CB 3.25Å; C89-I99 PolarHBondContact N-O 3.17Å; C89-I99 PolarHBondContact O-N 3.39Å
90F97.4Very high96.1Very high25 Ų2538.1 Ų38.111%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-62.9134.1167.8-73.8-77.1000110D42 N44 Q49 L51 I61D42-F90 HydrophobicContact CB-CD2 4.23Å; D42-F90 WeakPolarHBondContact OD2-CD2 3.39Å; D42-F90 PolarHBondContact OD2-N 3.38Å; N44-F90 HydrophobicContact CB-CD1 4.29Å; N44-F90 HydrophobicContact CB-CD2 3.74Å; N44-F90 HydrophobicContact CB-CE1 4.19Å; N44-F90 HydrophobicContact CB-CE2 3.65Å; N44-F90 HydrophobicContact CB-CG 4.06Å; N44-F90 HydrophobicContact CB-CZ 3.88Å; Q49-F90 HydrophobicContact CB-CE1 4.47Å; Q49-F90 HydrophobicContact CB-CZ 3.76Å; L51-F90 HydrophobicContact CB-CD2 4.18Å; L51-F90 HydrophobicContact CB-CE2 3.56Å; L51-F90 HydrophobicContact CB-CZ 3.76Å; I61-F90 HydrophobicContact CD1-CD1 4.5Å; I61-F90 HydrophobicContact CD1-CE1 3.52Å; I61-F90 HydrophobicContact CD1-CZ 3.9Å; I61-F90 HydrophobicContact CG2-CZ 4.38Å
91A96.8Very high96.3Very high45 Ų4538.5 Ų38.537%0.37225%0.245SC..SBendtrans-93.2-12.3179.300000112.3C89 A97 I99 Y110C89-A91 PolarHBondContact O-N 3.03Å; A91-A97 HydrophobicContact CB-CB 4.03Å; A91-A97 PolarHBondContact N-O 3.09Å; A91-I99 HydrophobicContact CB-CD1 4.05Å; A91-I99 HydrophobicContact CB-CG1 4.1Å; A91-Y110 HydrophobicContact CB-CD2 4.44Å; A91-Y110 HydrophobicContact CB-CE2 3.82Å
92N94.9Very high96.5Very high45 Ų4535.1 Ų35.124%0.24122%0.217CC..SBendtrans-151.2157.6-178.655.29.8000111.9D94 G95 S96 A97N92-D94 VanDerWaalsContact C-N 3.3Å; N92-D94 PolarHBondContact ND2-OD1 2.95Å; N92-D94 PolarHBondContact O-N 3.05Å; N92-D94 PolarHBondContact OD1-OD1 3.42Å; N92-D94 VanDerWaalsContact OD1-OD1 3.11Å; N92-G95 PolarHBondContact O-N 3.38Å; N92-S96 PolarHBondContact ND2-OG 3.11Å; N92-S96 PolarHBondContact OD1-N 2.88Å; N92-A97 WeakPolarHBondContact ND2-CB 3.28Å; N92-A97 PolarHBondContact ND2-N 2.93Å; N92-A97 PolarHBondContact OD1-N 3.46Å; N92-A97 PolarHBondContact OD1-O 3.22Å
93S93.4Very high96.6Very high76 Ų7635 Ų3553%0.53121%0.207SC..THydrogen-bonded Turntrans-72.9-19.8-178.3550000113.6N44 F46 G95N44-S93 PolarHBondContact ND2-O 3.19Å; N44-S93 PolarHBondContact OD1-O 3.09Å; F46-S93 WeakPolarHBondContact CB-O 3.37Å; S93-G95 VanDerWaalsContact C-N 3.26Å; S93-G95 PolarHBondContact O-N 3.02Å
94D93.9Very high96.5Very high95 Ų9541.5 Ų41.551%0.50824%0.241SC..THydrogen-bonded Turntrans-83.5-0.3177.770.49.1000113.5T47 N92 S96T47-D94 WeakPolarHBondContact CG2-O 3.42Å; N92-D94 VanDerWaalsContact C-N 3.3Å; N92-D94 PolarHBondContact ND2-OD1 2.95Å; N92-D94 PolarHBondContact O-N 3.05Å; N92-D94 PolarHBondContact OD1-OD1 3.42Å; N92-D94 VanDerWaalsContact OD1-OD1 3.11Å; D94-S96 VanDerWaalsContact CG-OG 3.25Å; D94-S96 PolarHBondContact O-N 2.88Å; D94-S96 VanDerWaalsContact O-N 3.16Å; D94-S96 VanDerWaalsContact OD1-CB 3.23Å; D94-S96 WeakPolarHBondContact OD1-CB 3.45Å; D94-S96 PolarHBondContact OD1-N 3.15Å; D94-S96 PolarHBondContact OD1-OG 2.88Å; D94-S96 PolarHBondContact OD2-OG 3.26Å
95G93.6Very high96.3Very high1 Ų145.3 Ų45.31%0.0125%0.252CS..SBendtrans70.94.8177.600000114.4N44 N92 S93 A97N44-G95 VanDerWaalsContact ND2-CA 3.32Å; N44-G95 WeakPolarHBondContact ND2-CA 3.11Å; N44-G95 PolarHBondContact ND2-N 3.18Å; N44-G95 VanDerWaalsContact ND2-N 3.11Å; N92-G95 PolarHBondContact O-N 3.38Å; S93-G95 VanDerWaalsContact C-N 3.26Å; S93-G95 PolarHBondContact O-N 3.02Å; G95-A97 VanDerWaalsContact C-N 3.32Å; G95-A97 PolarHBondContact O-N 2.95Å
96S92.9Very high96.1Very high40 Ų4051.4 Ų51.428%0.2830%0.295SS..SBendtrans-80-12.5-176.668.50000113.3N92 D94 T112 Q113N92-S96 PolarHBondContact ND2-OG 3.11Å; N92-S96 PolarHBondContact OD1-N 2.88Å; D94-S96 VanDerWaalsContact CG-OG 3.25Å; D94-S96 PolarHBondContact O-N 2.88Å; D94-S96 VanDerWaalsContact O-N 3.16Å; D94-S96 VanDerWaalsContact OD1-CB 3.23Å; D94-S96 WeakPolarHBondContact OD1-CB 3.45Å; D94-S96 PolarHBondContact OD1-N 3.15Å; D94-S96 PolarHBondContact OD1-OG 2.88Å; D94-S96 PolarHBondContact OD2-OG 3.26Å; S96-T112 CarbonylContact O-C 3.51Å; S96-T112 VanDerWaalsContact O-CA 3.3Å; S96-T112 WeakPolarHBondContact O-CA 3.15Å; S96-Q113 PolarHBondContact O-N 3.41Å
97A95.9Very high96Very high0 Ų052.7 Ų52.70%030%0.302CS..EExtended strand (participates in β ladder)trans-139.4150.2179.500000112.8A91 N92 G95 Y110 F111 T112A91-A97 HydrophobicContact CB-CB 4.03Å; A91-A97 PolarHBondContact N-O 3.09Å; N92-A97 WeakPolarHBondContact ND2-CB 3.28Å; N92-A97 PolarHBondContact ND2-N 2.93Å; N92-A97 PolarHBondContact OD1-N 3.46Å; N92-A97 PolarHBondContact OD1-O 3.22Å; G95-A97 VanDerWaalsContact C-N 3.32Å; G95-A97 PolarHBondContact O-N 2.95Å; A97-Y110 HydrophobicContact CB-CE2 3.9Å; A97-Y110 VanDerWaalsContact CB-OH 3.31Å; A97-Y110 WeakPolarHBondContact CB-OH 3.49Å; A97-F111 WeakPolarHBondContact CA-O 3.1Å; A97-F111 VanDerWaalsContact CB-O 3.31Å; A97-F111 WeakPolarHBondContact CB-O 3.42Å; A97-T112 HydrophobicContact CB-CG2 4.18Å
98F97.1Very high96Very high0 Ų057.8 Ų57.80%033%0.327CS..EExtended strand (participates in β ladder)trans-149.5157.3177.555.8-89.1000111.3L51 I59 I61 F76 T78 C89 F111 Q113L51-F98 HydrophobicContact CD1-CB 3.43Å; L51-F98 VanDerWaalsContact CD1-CB 3.43Å; L51-F98 HydrophobicContact CD1-CD1 4.37Å; L51-F98 HydrophobicContact CD1-CD2 4Å; L51-F98 HydrophobicContact CD1-CG 3.69Å; I59-F98 HydrophobicContact CB-CE2 4.22Å; I59-F98 HydrophobicContact CD1-CE2 4.34Å; I59-F98 HydrophobicContact CG2-CD2 4.01Å; I59-F98 HydrophobicContact CG2-CE2 3.76Å; I59-F98 HydrophobicContact CG2-CZ 4.48Å; I61-F98 HydrophobicContact CD1-CD1 3.95Å; I61-F98 HydrophobicContact CD1-CE1 4.22Å; F76-F98 HydrophobicContact CD1-CE1 4.19Å; F76-F98 HydrophobicContact CD1-CZ 4.22Å; F76-F98 AromaticContact CE1-CE1 3.87Å; F76-F98 HydrophobicContact CE1-CE1 3.87Å; F76-F98 AromaticContact CE1-CZ 3.65Å; F76-F98 HydrophobicContact CE1-CZ 3.65Å; F76-F98 HydrophobicContact CZ-CZ 4.48Å; T78-F98 HydrophobicContact CG2-CE2 4.05Å; T78-F98 HydrophobicContact CG2-CZ 3.8Å; C89-F98 CarbonylContact O-C 3.51Å; C89-F98 WeakPolarHBondContact O-CA 3.34Å; C89-F98 VanDerWaalsContact O-CB 3.26Å; C89-F98 WeakPolarHBondContact O-CB 3.25Å; F98-F111 HydrophobicContact CD1-CB 4.16Å; F98-F111 HydrophobicContact CD2-CB 3.82Å; F98-F111 AromaticContact CD2-CD2 3.72Å; F98-F111 HydrophobicContact CD2-CD2 3.72Å; F98-F111 HydrophobicContact CD2-CG 4.05Å; F98-F111 HydrophobicContact CE1-CB 3.73Å; F98-F111 HydrophobicContact CE2-CB 3.36Å; F98-F111 HydrophobicContact CE2-CD1 4.21Å; F98-F111 AromaticContact CE2-CD2 3.29Å; F98-F111 HydrophobicContact CE2-CD2 3.29Å; F98-F111 HydrophobicContact CE2-CE2 4.1Å; F98-F111 AromaticContact CE2-CG 3.35Å; F98-F111 HydrophobicContact CE2-CG 3.35Å; F98-F111 HydrophobicContact CG-CB 4.18Å; F98-F111 HydrophobicContact CZ-CB 3.29Å; F98-F111 HydrophobicContact CZ-CD1 4.23Å; F98-F111 HydrophobicContact CZ-CD2 4.06Å; F98-F111 AromaticContact CZ-CG 3.62Å; F98-F111 HydrophobicContact CZ-CG 3.62Å; F98-F111 PolarHBondContact N-O 3.37Å; F98-F111 VanDerWaalsContact N-O 3.12Å; F98-F111 PolarHBondContact O-N 3.24Å; F98-Q113 HydrophobicContact CE1-CG 4.18Å
99I97.8Very high95.9Very high52 Ų5259.7 Ų59.727%0.26733%0.334SS..EExtended strand (participates in β ladder)trans-114.5143.3177.9-65.4159.9000108.2A88 C89 A91 L108 F109 Y110A88-I99 CarbonylContact C-O 3.48Å; A88-I99 WeakPolarHBondContact CA-O 3.36Å; A88-I99 WeakPolarHBondContact CB-O 3.43Å; C89-I99 PolarHBondContact N-O 3.17Å; C89-I99 PolarHBondContact O-N 3.39Å; A91-I99 HydrophobicContact CB-CD1 4.05Å; A91-I99 HydrophobicContact CB-CG1 4.1Å; I99-L108 HydrophobicContact CG2-CB 3.99Å; I99-L108 HydrophobicContact CG2-CD1 4.2Å; I99-L108 HydrophobicContact CG2-CD2 4.39Å; I99-L108 HydrophobicContact CG2-CG 4.43Å; I99-F109 CarbonylContact C-O 3.55Å; I99-F109 VanDerWaalsContact CA-O 3.27Å; I99-F109 WeakPolarHBondContact CA-O 3.28Å; I99-Y110 HydrophobicContact CG1-CD2 3.79Å
100A98Very high95.8Very high1 Ų163.9 Ų63.91%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-131.4150.6173.400000111.4I59 I85 G87 A88 F109 F111I59-A100 HydrophobicContact CD1-CB 3.55Å; I59-A100 HydrophobicContact CG1-CB 4.2Å; I85-A100 HydrophobicContact CG2-CB 4.04Å; G87-A100 CarbonylContact O-C 3.43Å; G87-A100 WeakPolarHBondContact O-CA 3.24Å; A88-A100 HydrophobicContact CB-CB 4.2Å; A100-F109 HydrophobicContact CB-CB 4.48Å; A100-F109 PolarHBondContact N-O 3.34Å; A100-F109 PolarHBondContact O-N 3.33Å; A100-F111 HydrophobicContact CB-CE2 4.25Å
101S98Very high95.7Very high32 Ų3264.7 Ų64.722%0.22435%0.346CS..EExtended strand (participates in β ladder)trans-118.3142.1173.860.40000110.8I85 V86 G87I85-S101 WeakPolarHBondContact CA-O 3.25Å; I85-S101 WeakPolarHBondContact CG2-O 3.26Å; V86-S101 PolarHBondContact N-O 3.15Å; G87-S101 WeakPolarHBondContact CA-OG 3.3Å; G87-S101 PolarHBondContact N-OG 3.08Å; G87-S101 PolarHBondContact O-N 2.89Å; G87-S101 PolarHBondContact O-OG 2.87Å
102G98.1Very high95.5Very high7 Ų766.1 Ų66.17%0.07235%0.351CS..EExtended strand (participates in β ladder)trans-106.3149.517900000112.6P84 D104 Y105P84-G102 WeakPolarHBondContact O-CA 3.48Å; G102-D104 PolarHBondContact O-N 3.27Å; G102-Y105 PolarHBondContact O-N 2.7Å
103Y97.3Very high94.8Very high143 Ų14366.1 Ų66.156%0.56135%0.349SS*.THydrogen-bonded Turntrans-62.1124171.7-177-96.3000111.2P84 V86 Y105P84-Y103 PolarHBondContact O-N 3.41Å; V86-Y103 HydrophobicContact CG1-CD2 4.31Å; Y103-Y105 WeakPolarHBondContact O-CD2 3.09Å; Y103-Y105 WeakPolarHBondContact O-CE2 3.39Å; Y103-Y105 PolarHBondContact O-N 3.1Å
104D94.9Very high93.7Very high140 Ų14070.5 Ų70.575%0.74936%0.361SS*.THydrogen-bonded Turntrans62.918-175.2-70.1-14.2000115.8G102G102-D104 PolarHBondContact O-N 3.27Å
105Y94.1Very high91.5Very high117 Ų11774.8 Ų74.846%0.45938%0.378SS..  trans-100131.1172.9-73.9-101.6000110.9V83 G102 Y103 T107 F109V83-Y105 HydrophobicContact CB-CE2 4.26Å; V83-Y105 HydrophobicContact CG1-CD2 3.78Å; V83-Y105 HydrophobicContact CG1-CE2 3.75Å; V83-Y105 HydrophobicContact CG1-CG 4.35Å; V83-Y105 HydrophobicContact CG2-CE1 3.99Å; V83-Y105 HydrophobicContact CG2-CE2 3.87Å; G102-Y105 PolarHBondContact O-N 2.7Å; Y103-Y105 WeakPolarHBondContact O-CD2 3.09Å; Y103-Y105 WeakPolarHBondContact O-CE2 3.39Å; Y103-Y105 PolarHBondContact O-N 3.1Å; Y105-T107 PolarHBondContact O-N 3.1Å; Y105-F109 HydrophobicContact CD1-CE2 4.5Å; Y105-F109 AromaticContact CD1-CZ 3.93Å; Y105-F109 HydrophobicContact CD1-CZ 3.93Å; Y105-F109 HydrophobicContact CE1-CZ 4.47Å; Y105-F109 HydrophobicContact CG-CE2 4.44Å; Y105-F109 HydrophobicContact CG-CZ 4.31Å
106S94Very high88.8Confident128 Ų12884.2 Ų84.290%0.89542%0.422SS*.SBendtrans-81.4-3.4175.558.70000113.7
107T94.9Very high85.6Confident87 Ų8794.8 Ų94.853%0.53447%0.467SS..SBendtrans-115.6141.9-175.2-58.20000110.4Y105Y105-T107 PolarHBondContact O-N 3.1Å
108L96.9Very high85.1Confident117 Ų11799.6 Ų99.661%0.61349%0.49SS*.EExtended strand (participates in β ladder)trans-88.7140.3168-63.4176.9000109.8I99I99-L108 HydrophobicContact CG2-CB 3.99Å; I99-L108 HydrophobicContact CG2-CD1 4.2Å; I99-L108 HydrophobicContact CG2-CD2 4.39Å; I99-L108 HydrophobicContact CG2-CG 4.43Å
109F96.6Very high84.5Confident46 Ų46104.8 Ų104.820%0.20252%0.516CS..EExtended strand (participates in β ladder)trans-97.6123.3177.4-56.8-88.1000109I80 V83 I99 A100 Y105 F111I80-F109 HydrophobicContact CD1-CB 3.64Å; I80-F109 HydrophobicContact CD1-CD1 3.72Å; I80-F109 HydrophobicContact CD1-CD2 3.48Å; I80-F109 VanDerWaalsContact CD1-CD2 3.48Å; I80-F109 HydrophobicContact CD1-CE1 4.2Å; I80-F109 HydrophobicContact CD1-CE2 4Å; I80-F109 HydrophobicContact CD1-CG 3.32Å; I80-F109 HydrophobicContact CD1-CZ 4.33Å; I80-F109 HydrophobicContact CG1-CD1 4.31Å; I80-F109 HydrophobicContact CG1-CG 4.35Å; I80-F109 HydrophobicContact CG2-CD1 4.27Å; I80-F109 HydrophobicContact CG2-CE1 3.85Å; I80-F109 HydrophobicContact CG2-CZ 4.09Å; V83-F109 HydrophobicContact CG1-CE2 4.07Å; V83-F109 HydrophobicContact CG1-CZ 4.3Å; V83-F109 HydrophobicContact CG2-CZ 4.45Å; I99-F109 CarbonylContact C-O 3.55Å; I99-F109 VanDerWaalsContact CA-O 3.27Å; I99-F109 WeakPolarHBondContact CA-O 3.28Å; A100-F109 HydrophobicContact CB-CB 4.48Å; A100-F109 PolarHBondContact N-O 3.34Å; A100-F109 PolarHBondContact O-N 3.33Å; Y105-F109 HydrophobicContact CD1-CE2 4.5Å; Y105-F109 AromaticContact CD1-CZ 3.93Å; Y105-F109 HydrophobicContact CD1-CZ 3.93Å; Y105-F109 HydrophobicContact CE1-CZ 4.47Å; Y105-F109 HydrophobicContact CG-CE2 4.44Å; Y105-F109 HydrophobicContact CG-CZ 4.31Å; F109-F111 HydrophobicContact CB-CD2 4.44Å; F109-F111 HydrophobicContact CB-CE2 3.59Å; F109-F111 HydrophobicContact CB-CZ 4.11Å
110Y96.3Very high83.7Confident145 Ų145107.7 Ų107.757%0.56953%0.53SS*.EExtended strand (participates in β ladder)trans-106.3133.2177.4178-100.6000110.1A91 A97 I99 T112A91-Y110 HydrophobicContact CB-CD2 4.44Å; A91-Y110 HydrophobicContact CB-CE2 3.82Å; A97-Y110 HydrophobicContact CB-CE2 3.9Å; A97-Y110 VanDerWaalsContact CB-OH 3.31Å; A97-Y110 WeakPolarHBondContact CB-OH 3.49Å; I99-Y110 HydrophobicContact CG1-CD2 3.79Å; Y110-T112 HydrophobicContact CD1-CG2 4.48Å; Y110-T112 HydrophobicContact CE1-CG2 3.56Å
111F94.7Very high82.9Confident41 Ų41114 Ų11418%0.1856%0.561CS.*EExtended strand (participates in β ladder)trans-124.4148.5-178.6-64.8-90.6000111.1I59 T78 I80 A97 F98 A100 F109I59-F111 HydrophobicContact CD1-CE2 3.92Å; I59-F111 HydrophobicContact CD1-CZ 4.26Å; T78-F111 HydrophobicContact CG2-CD1 3.97Å; T78-F111 HydrophobicContact CG2-CE1 3.88Å; T78-F111 HydrophobicContact CG2-CZ 4.33Å; I80-F111 HydrophobicContact CD1-CE2 3.96Å; I80-F111 HydrophobicContact CD1-CZ 3.69Å; I80-F111 HydrophobicContact CG1-CE2 4.37Å; I80-F111 HydrophobicContact CG1-CZ 3.59Å; A97-F111 WeakPolarHBondContact CA-O 3.1Å; A97-F111 VanDerWaalsContact CB-O 3.31Å; A97-F111 WeakPolarHBondContact CB-O 3.42Å; F98-F111 HydrophobicContact CD1-CB 4.16Å; F98-F111 HydrophobicContact CD2-CB 3.82Å; F98-F111 AromaticContact CD2-CD2 3.72Å; F98-F111 HydrophobicContact CD2-CD2 3.72Å; F98-F111 HydrophobicContact CD2-CG 4.05Å; F98-F111 HydrophobicContact CE1-CB 3.73Å; F98-F111 HydrophobicContact CE2-CB 3.36Å; F98-F111 HydrophobicContact CE2-CD1 4.21Å; F98-F111 AromaticContact CE2-CD2 3.29Å; F98-F111 HydrophobicContact CE2-CD2 3.29Å; F98-F111 HydrophobicContact CE2-CE2 4.1Å; F98-F111 AromaticContact CE2-CG 3.35Å; F98-F111 HydrophobicContact CE2-CG 3.35Å; F98-F111 HydrophobicContact CG-CB 4.18Å; F98-F111 HydrophobicContact CZ-CB 3.29Å; F98-F111 HydrophobicContact CZ-CD1 4.23Å; F98-F111 HydrophobicContact CZ-CD2 4.06Å; F98-F111 AromaticContact CZ-CG 3.62Å; F98-F111 HydrophobicContact CZ-CG 3.62Å; F98-F111 PolarHBondContact N-O 3.37Å; F98-F111 VanDerWaalsContact N-O 3.12Å; F98-F111 PolarHBondContact O-N 3.24Å; A100-F111 HydrophobicContact CB-CE2 4.25Å; F109-F111 HydrophobicContact CB-CD2 4.44Å; F109-F111 HydrophobicContact CB-CE2 3.59Å; F109-F111 HydrophobicContact CB-CZ 4.11Å
112T92.4Very high81.9Confident75 Ų75119.1 Ų119.146%0.4658%0.582SS.*EExtended strand (participates in β ladder)trans-126132.6167540000108.9S96 A97 Y110 Q114S96-T112 CarbonylContact O-C 3.51Å; S96-T112 VanDerWaalsContact O-CA 3.3Å; S96-T112 WeakPolarHBondContact O-CA 3.15Å; A97-T112 HydrophobicContact CB-CG2 4.18Å; Y110-T112 HydrophobicContact CD1-CG2 4.48Å; Y110-T112 HydrophobicContact CE1-CG2 3.56Å; T112-Q114 PolarHBondContact O-N 3.44Å
113Q80.8Confident80.9Confident45 Ų45126.6 Ų126.621%0.2162%0.616CS.*  trans-75.198.6168.6-63.4-168.6-1.300107.6I61 F76 S96 F98 Q115I61-Q113 VanDerWaalsContact CG1-NE2 3.35Å; F76-Q113 HydrophobicContact CD1-CG 4.41Å; F76-Q113 HydrophobicContact CD2-CB 4.46Å; F76-Q113 HydrophobicContact CD2-CG 3.85Å; F76-Q113 HydrophobicContact CE2-CB 4.4Å; F76-Q113 HydrophobicContact CE2-CG 3.97Å; F76-Q113 HydrophobicContact CG-CG 4.08Å; F76-Q113 HydrophobicContact CZ-CG 4.31Å; S96-Q113 PolarHBondContact O-N 3.41Å; F98-Q113 HydrophobicContact CE1-CG 4.18Å; Q113-Q115 PolarHBondContact O-N 3.12Å
114Q69.4Low79.7Confident168 Ų168125.4 Ų125.479%0.78562%0.62SS**  trans-70.9119.1167.8-67.8-167.61.500108.1T112 Q116T112-Q114 PolarHBondContact O-N 3.44Å; Q114-Q116 PolarHBondContact O-N 2.81Å; Q114-Q116 VanDerWaalsContact O-N 3.07Å
115Q48.4Very low78.5Confident186 Ų186124.3 Ų124.387%0.86961%0.61SS**  trans-57.4115169.6-70.4-178-0.200107.7Q113 Q117Q113-Q115 PolarHBondContact O-N 3.12Å; Q115-Q117 PolarHBondContact O-N 2.77Å; Q115-Q117 VanDerWaalsContact O-N 3.09Å
116Q36Very low77.2Confident198 Ų198124.9 Ų124.993%0.92562%0.623SS**  trans-62113.9165.7-76.6-178.5-4.400106.7Q114Q114-Q116 PolarHBondContact O-N 2.81Å; Q114-Q116 VanDerWaalsContact O-N 3.07Å
117Q26.4Very low75.7Confident263 Ų263124.6 Ų124.6100%1.22960%0.598SS**  trans-66.50171.8-70.7-176.3-0.800111.2Q115Q115-Q117 PolarHBondContact O-N 2.77Å; Q115-Q117 VanDerWaalsContact O-N 3.09Å

Retrieved 117 of 117 residues in 455.6 ms (Link to these results)

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