A0A077ZMM2_TRITR Loading...

CSD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMM2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 66 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
1M83.2Confident95.5Very high175 Ų17568.6 Ų68.686%0.86234%0.34SS*.  0128.70-169168.6-83.600105.8D48 F49M1-D48 HydrophobicContact CG-CB 4.49Å; M1-F49 CarbonylContact C-O 3.59Å; M1-F49 WeakPolarHBondContact CA-O 3.04Å
2N94.3Very high95.4Very high61 Ų6179.9 Ų79.933%0.32639%0.385SS..EExtended strand (participates in β ladder)trans-114.8150.6-178.1-59.2-56.3000108.3D48 F49 I51N2-D48 CarbonylContact O-C 3.58Å; N2-D48 WeakPolarHBondContact O-CA 3.15Å; N2-F49 HydrophobicContact CB-CD2 4.31Å; N2-F49 HydrophobicContact CB-CE1 4.18Å; N2-F49 HydrophobicContact CB-CE2 3.82Å; N2-F49 HydrophobicContact CB-CZ 3.75Å; N2-F49 PolarHBondContact N-O 3.25Å; N2-F49 PolarHBondContact O-N 2.95Å; N2-I51 WeakPolarHBondContact ND2-CD1 3.49Å; N2-I51 WeakPolarHBondContact ND2-CG1 3.12Å
3S95.5Very high95.5Very high58 Ų5883.5 Ų83.541%0.40640%0.398SS..EExtended strand (participates in β ladder)trans-111.6152.1169.3-51.20000109.2V47 D48 K66S3-V47 CarbonylContact C-O 3.49Å; S3-V47 VanDerWaalsContact CA-O 3.29Å; S3-V47 WeakPolarHBondContact CA-O 3.15Å; S3-D48 WeakPolarHBondContact CB-OD1 3.46Å; S3-D48 PolarHBondContact OG-OD1 3.42Å; S3-K66 PolarHBondContact OG-NZ 3.23Å
4G97Very high95.6Very high8 Ų878 Ų788%0.08238%0.375CS..EExtended strand (participates in β ladder)trans-164.5177.117900000112.5A19 E46 V47G4-A19 CarbonylContact C-O 3.47Å; G4-A19 WeakPolarHBondContact CA-O 3.09Å; G4-E46 WeakPolarHBondContact O-CA 3.16Å; G4-V47 PolarHBondContact N-O 2.7Å; G4-V47 PolarHBondContact O-N 3.42Å
5I97.4Very high95.7Very high79 Ų7977.8 Ų77.841%0.40537%0.369SS..EExtended strand (participates in β ladder)trans-113.5131.2179.6-56.7-60.5000109K7 I18 A19 D45 E46I5-K7 PolarHBondContact O-N 2.91Å; I5-K7 VanDerWaalsContact O-N 3.14Å; I5-I18 CarbonylContact O-C 3.56Å; I5-A19 PolarHBondContact N-O 2.95Å; I5-A19 PolarHBondContact O-N 3.14Å; I5-D45 CarbonylContact C-O 3.6Å; I5-D45 WeakPolarHBondContact CA-O 3.42Å; I5-E46 HydrophobicContact CD1-CB 3.94Å; I5-E46 HydrophobicContact CD1-CG 4.02Å
6V97.7Very high95.8Very high2 Ų272.9 Ų72.91%0.01235%0.346CS..EExtended strand (participates in β ladder)trans-65.2115.9175.5177.40000108.9F9 I18 L41 D42 P43 G44 D45 V47V6-F9 HydrophobicContact CG1-CB 4.39Å; V6-I18 HydrophobicContact CG2-CG1 4.25Å; V6-L41 HydrophobicContact CG1-CB 3.92Å; V6-L41 HydrophobicContact CG2-CB 3.97Å; V6-L41 HydrophobicContact CG2-CD1 3.96Å; V6-L41 HydrophobicContact CG2-CD2 4.25Å; V6-L41 HydrophobicContact CG2-CG 4.27Å; V6-D42 VanDerWaalsContact CB-O 3.31Å; V6-D42 WeakPolarHBondContact CB-O 3.29Å; V6-D42 WeakPolarHBondContact CG1-O 3.49Å; V6-P43 WeakPolarHBondContact O-CA 3.12Å; V6-G44 PolarHBondContact O-N 2.84Å; V6-D45 HydrophobicContact CB-CB 4.2Å; V6-D45 HydrophobicContact CG2-CB 3.83Å; V6-D45 PolarHBondContact N-O 3.22Å; V6-V47 HydrophobicContact CG2-CG1 3.87Å; V6-V47 HydrophobicContact CG2-CG2 4.14Å
7K97.2Very high95.9Very high117 Ų11771.6 Ų71.651%0.50934%0.339SS..EExtended strand (participates in β ladder)trans-77.6-43.9179.5-172.8179.1175.6173.60110.6I5 F17 E25I5-K7 PolarHBondContact O-N 2.91Å; I5-K7 VanDerWaalsContact O-N 3.14Å; K7-F17 WeakPolarHBondContact CB-O 3.45Å; K7-F17 PolarHBondContact N-O 2.98Å; K7-E25 IonicContact NZ-OE2 3.23Å; K7-E25 PolarHBondContact NZ-OE2 2.96Å
8W97.9Very high96Very high89 Ų8967.7 Ų67.734%0.33732%0.32SS..EExtended strand (participates in β ladder)trans-165.7157.1173.163-91.8000110.2D10 Y15 G16 F17W8-D10 HydrophobicContact CE3-CB 4.5Å; W8-D10 HydrophobicContact CZ3-CB 4.02Å; W8-Y15 AromaticContact CH2-CD2 3.8Å; W8-Y15 HydrophobicContact CH2-CD2 3.8Å; W8-Y15 AromaticContact CH2-CE2 3.55Å; W8-Y15 HydrophobicContact CH2-CE2 3.55Å; W8-Y15 HydrophobicContact CZ3-CD2 4.15Å; W8-Y15 HydrophobicContact CZ3-CE2 4.12Å; W8-Y15 WeakPolarHBondContact CZ3-O 3.4Å; W8-G16 CarbonylContact O-C 3.59Å; W8-G16 WeakPolarHBondContact O-CA 3.19Å; W8-F17 AromaticContact CE2-CD2 3.57Å; W8-F17 HydrophobicContact CH2-CD2 4Å; W8-F17 HydrophobicContact CH2-CE2 4.19Å; W8-F17 AromaticContact CZ2-CD2 3.22Å; W8-F17 HydrophobicContact CZ2-CD2 3.22Å; W8-F17 AromaticContact CZ2-CE2 3.56Å; W8-F17 HydrophobicContact CZ2-CE2 3.56Å; W8-F17 HydrophobicContact CZ2-CG 4.4Å; W8-F17 AromaticContact NE1-CD2 3.74Å; W8-F17 PolarHBondContact O-N 2.99Å
9F97.9Very high96.1Very high22 Ų2266.1 Ų66.110%0.09632%0.319CS..EExtended strand (participates in β ladder)trans-144132.6172.9-167.6-98.8000109.2V6 E11 V28 F30 I33 L41V6-F9 HydrophobicContact CG1-CB 4.39Å; F9-E11 HydrophobicContact CD1-CG 4Å; F9-E11 HydrophobicContact CE1-CG 4.41Å; F9-V28 HydrophobicContact CD2-CG1 4.28Å; F9-V28 HydrophobicContact CE2-CG1 4.46Å; F9-F30 HydrophobicContact CZ-CB 4.1Å; F9-I33 HydrophobicContact CE2-CD1 4.08Å; F9-I33 HydrophobicContact CZ-CD1 3.89Å; F9-L41 HydrophobicContact CB-CB 4.01Å; F9-L41 VanDerWaalsContact CB-O 3.24Å; F9-L41 WeakPolarHBondContact CB-O 3.3Å; F9-L41 HydrophobicContact CD1-CB 4.43Å; F9-L41 HydrophobicContact CD2-CB 4.03Å; F9-L41 HydrophobicContact CD2-CD1 3.99Å; F9-L41 HydrophobicContact CD2-CG 4.29Å; F9-L41 HydrophobicContact CE2-CD1 4.21Å; F9-L41 HydrophobicContact CE2-CG 4.49Å; F9-L41 HydrophobicContact CG-CB 3.92Å
10D97.5Very high96Very high42 Ų4264.5 Ų64.523%0.22531%0.31CS..EExtended strand (participates in β ladder)trans-97.596.8173.6-175.6-27.2000107.7W8 K12 K13 G14 Y15W8-D10 HydrophobicContact CE3-CB 4.5Å; W8-D10 HydrophobicContact CZ3-CB 4.02Å; D10-K12 PolarHBondContact O-N 3Å; D10-K12 WeakPolarHBondContact OD1-CB 3.44Å; D10-K12 PolarHBondContact OD1-N 3.12Å; D10-K12 VanDerWaalsContact OD1-N 3.08Å; D10-K13 HydrophobicContact CB-CB 4.2Å; D10-K13 HydrophobicContact CB-CG 4.5Å; D10-K13 CarbonylContact O-C 3.56Å; D10-K13 PolarHBondContact O-N 3.08Å; D10-K13 VanDerWaalsContact O-N 3.12Å; D10-K13 PolarHBondContact OD1-N 2.84Å; D10-K13 WeakPolarHBondContact OD2-CD 3.27Å; D10-K13 WeakPolarHBondContact OD2-CE 3.49Å; D10-K13 WeakPolarHBondContact OD2-CG 3.26Å; D10-K13 IonicContact OD2-NZ 3.25Å; D10-K13 PolarHBondContact OD2-NZ 3.45Å; D10-G14 PolarHBondContact O-N 3.06Å; D10-Y15 PolarHBondContact N-O 3.22Å; D10-Y15 PolarHBondContact O-N 3.05Å
11E94.8Very high95.8Very high102 Ų10267.5 Ų67.548%0.47733%0.328SS..THydrogen-bonded Turntrans-59.4-30.1-179-59.7177.3103.100112.7F9 F38F9-E11 HydrophobicContact CD1-CG 4Å; F9-E11 HydrophobicContact CE1-CG 4.41Å; E11-F38 HydrophobicContact CB-CZ 4.35Å
12K94.9Very high95.8Very high204 Ų20467.5 Ų67.589%0.88733%0.326SS*.THydrogen-bonded Turntrans-72.2-34.4179.2-63.3-178.1-179.7176.20111.4D10D10-K12 PolarHBondContact O-N 3Å; D10-K12 WeakPolarHBondContact OD1-CB 3.44Å; D10-K12 PolarHBondContact OD1-N 3.12Å; D10-K12 VanDerWaalsContact OD1-N 3.08Å
13K96.5Very high95.5Very high126 Ų12672.1 Ų72.155%0.54835%0.35SS..THydrogen-bonded Turntrans-94.2-16.8177.7-61.4-178.4-166.6152.70113.7D10 Y15D10-K13 HydrophobicContact CB-CB 4.2Å; D10-K13 HydrophobicContact CB-CG 4.5Å; D10-K13 CarbonylContact O-C 3.56Å; D10-K13 PolarHBondContact O-N 3.08Å; D10-K13 VanDerWaalsContact O-N 3.12Å; D10-K13 PolarHBondContact OD1-N 2.84Å; D10-K13 WeakPolarHBondContact OD2-CD 3.27Å; D10-K13 WeakPolarHBondContact OD2-CE 3.49Å; D10-K13 WeakPolarHBondContact OD2-CG 3.26Å; D10-K13 IonicContact OD2-NZ 3.25Å; D10-K13 PolarHBondContact OD2-NZ 3.45Å; K13-Y15 HydrophobicContact CB-CD1 3.57Å; K13-Y15 HydrophobicContact CB-CE1 3.36Å; K13-Y15 HydrophobicContact CD-CD1 4.48Å; K13-Y15 HydrophobicContact CD-CE1 3.47Å; K13-Y15 VanDerWaalsContact CD-CE1 3.47Å; K13-Y15 WeakPolarHBondContact CD-OH 3.48Å; K13-Y15 HydrophobicContact CG-CE1 4.05Å
14G96.3Very high95.4Very high7 Ų774 Ų747%0.07235%0.353CS..THydrogen-bonded Turntrans72.931.3179.500000114.3D10 H29 F30D10-G14 PolarHBondContact O-N 3.06Å; G14-H29 PolarHBondContact O-CD2 2.75Å; G14-H29 VanDerWaalsContact O-CD2 3.25Å; G14-F30 WeakPolarHBondContact O-CD1 3.24Å; G14-F30 PolarHBondContact O-N 3.04Å
15Y97.1Very high95.4Very high75 Ų7578 Ų7829%0.29437%0.369SS..EExtended strand (participates in β ladder)trans-148.7162.2175.471.5-95.1000113.2W8 D10 K13 F27 V28W8-Y15 AromaticContact CH2-CD2 3.8Å; W8-Y15 HydrophobicContact CH2-CD2 3.8Å; W8-Y15 AromaticContact CH2-CE2 3.55Å; W8-Y15 HydrophobicContact CH2-CE2 3.55Å; W8-Y15 HydrophobicContact CZ3-CD2 4.15Å; W8-Y15 HydrophobicContact CZ3-CE2 4.12Å; W8-Y15 WeakPolarHBondContact CZ3-O 3.4Å; D10-Y15 PolarHBondContact N-O 3.22Å; D10-Y15 PolarHBondContact O-N 3.05Å; K13-Y15 HydrophobicContact CB-CD1 3.57Å; K13-Y15 HydrophobicContact CB-CE1 3.36Å; K13-Y15 HydrophobicContact CD-CD1 4.48Å; K13-Y15 HydrophobicContact CD-CE1 3.47Å; K13-Y15 VanDerWaalsContact CD-CE1 3.47Å; K13-Y15 WeakPolarHBondContact CD-OH 3.48Å; K13-Y15 HydrophobicContact CG-CE1 4.05Å; Y15-F27 AromaticContact CD2-CE2 3.75Å; Y15-F27 HydrophobicContact CD2-CE2 3.75Å; Y15-F27 AromaticContact CG-CE2 3.92Å; Y15-F27 HydrophobicContact CG-CE2 3.92Å; Y15-F27 HydrophobicContact CG-CZ 4.41Å; Y15-V28 CarbonylContact C-O 3.56Å; Y15-V28 WeakPolarHBondContact CA-O 3.36Å; Y15-V28 WeakPolarHBondContact CB-O 3.39Å
16G97.5Very high95.4Very high0 Ų074.3 Ų74.30%035%0.35CS..EExtended strand (participates in β ladder)trans-165.4-163-178.300000113W8 V28W8-G16 CarbonylContact O-C 3.59Å; W8-G16 WeakPolarHBondContact O-CA 3.19Å; G16-V28 VanDerWaalsContact C-CG1 3.47Å; G16-V28 PolarHBondContact N-O 2.91Å; G16-V28 WeakPolarHBondContact O-CG1 3.45Å; G16-V28 PolarHBondContact O-N 2.81Å
17F97.7Very high95.4Very high51 Ų5177.4 Ų77.422%0.22436%0.364CS..EExtended strand (participates in β ladder)trans-135.2139.6175.7-76.4-100.4000111.4K7 W8 E25 V26 F27K7-F17 WeakPolarHBondContact CB-O 3.45Å; K7-F17 PolarHBondContact N-O 2.98Å; W8-F17 AromaticContact CE2-CD2 3.57Å; W8-F17 HydrophobicContact CH2-CD2 4Å; W8-F17 HydrophobicContact CH2-CE2 4.19Å; W8-F17 AromaticContact CZ2-CD2 3.22Å; W8-F17 HydrophobicContact CZ2-CD2 3.22Å; W8-F17 AromaticContact CZ2-CE2 3.56Å; W8-F17 HydrophobicContact CZ2-CE2 3.56Å; W8-F17 HydrophobicContact CZ2-CG 4.4Å; W8-F17 AromaticContact NE1-CD2 3.74Å; W8-F17 PolarHBondContact O-N 2.99Å; F17-E25 HydrophobicContact CD1-CB 4.16Å; F17-E25 HydrophobicContact CD1-CG 3.89Å; F17-E25 HydrophobicContact CE1-CG 4.43Å; F17-V26 WeakPolarHBondContact CA-O 3.33Å; F17-F27 HydrophobicContact CE1-CB 4.16Å; F17-F27 HydrophobicContact CE2-CD2 4.3Å; F17-F27 HydrophobicContact CZ-CB 4.39Å; F17-F27 HydrophobicContact CZ-CD2 4.23Å
18I98Very high95.4Very high0 Ų071.9 Ų71.90%034%0.34CS..EExtended strand (participates in β ladder)trans-108.1124.1173.6-60159.8000107.3I5 V6 E25 V26 V28 V47 F49 A60 V63I5-I18 CarbonylContact O-C 3.56Å; V6-I18 HydrophobicContact CG2-CG1 4.25Å; I18-E25 CarbonylContact O-C 3.52Å; I18-E25 VanDerWaalsContact O-CA 3.26Å; I18-E25 WeakPolarHBondContact O-CA 3.27Å; I18-V26 HydrophobicContact CB-CG1 3.92Å; I18-V26 PolarHBondContact N-O 2.88Å; I18-V26 PolarHBondContact O-N 2.89Å; I18-V28 HydrophobicContact CD1-CB 3.88Å; I18-V28 HydrophobicContact CD1-CG1 4.02Å; I18-V28 HydrophobicContact CD1-CG2 4.17Å; I18-V28 HydrophobicContact CG1-CB 4.33Å; I18-V28 HydrophobicContact CG1-CG1 3.95Å; I18-V47 HydrophobicContact CD1-CG2 3.71Å; I18-V47 HydrophobicContact CG1-CG2 3.97Å; I18-V47 HydrophobicContact CG2-CG2 3.73Å; I18-F49 HydrophobicContact CD1-CD1 4.27Å; I18-F49 HydrophobicContact CG2-CD1 4.21Å; I18-F49 HydrophobicContact CG2-CE1 3.61Å; I18-F49 HydrophobicContact CG2-CZ 4.13Å; I18-A60 HydrophobicContact CD1-CB 3.97Å; I18-V63 HydrophobicContact CD1-CG1 4.15Å; I18-V63 HydrophobicContact CD1-CG2 4.36Å
19A97.3Very high95.4Very high37 Ų3770.2 Ų70.231%0.30634%0.336SS..EExtended strand (participates in β ladder)trans-77.7129.5169.500000109G4 I5 Q24G4-A19 CarbonylContact C-O 3.47Å; G4-A19 WeakPolarHBondContact CA-O 3.09Å; I5-A19 PolarHBondContact N-O 2.95Å; I5-A19 PolarHBondContact O-N 3.14Å; A19-Q24 WeakPolarHBondContact CA-O 3.45Å
20Y94.5Very high95.3Very high34 Ų3473.3 Ų73.313%0.13335%0.35CS..EExtended strand (participates in β ladder)trans-140.9136.4176.770.9-80.4000108.2Q24 E25 V26 F49 I51Y20-Q24 HydrophobicContact CD1-CB 4.23Å; Y20-Q24 HydrophobicContact CD2-CB 4.23Å; Y20-Q24 HydrophobicContact CE1-CB 3.71Å; Y20-Q24 HydrophobicContact CE2-CB 3.75Å; Y20-Q24 HydrophobicContact CE2-CG 4.39Å; Y20-Q24 HydrophobicContact CG-CB 4.45Å; Y20-Q24 VanDerWaalsContact CZ-CB 3.46Å; Y20-Q24 PolarHBondContact N-O 2.88Å; Y20-Q24 CarbonylContact O-C 3.51Å; Y20-Q24 WeakPolarHBondContact O-CA 3.34Å; Y20-Q24 VanDerWaalsContact O-CB 3.27Å; Y20-Q24 WeakPolarHBondContact O-CB 3.2Å; Y20-Q24 PolarHBondContact O-N 2.8Å; Y20-E25 VanDerWaalsContact CE1-C 3.46Å; Y20-V26 HydrophobicContact CD1-CB 3.91Å; Y20-V26 HydrophobicContact CD1-CG1 3.8Å; Y20-V26 HydrophobicContact CE1-CB 3.52Å; Y20-V26 HydrophobicContact CE1-CG1 3.96Å; Y20-F49 HydrophobicContact CD1-CZ 4.11Å; Y20-F49 HydrophobicContact CG-CE2 4.49Å; Y20-F49 AromaticContact CG-CZ 3.86Å; Y20-F49 HydrophobicContact CG-CZ 3.86Å; Y20-I51 HydrophobicContact CD2-CD1 4.02Å; Y20-I51 HydrophobicContact CE1-CD1 4.15Å; Y20-I51 HydrophobicContact CE2-CD1 3.43Å; Y20-I51 VanDerWaalsContact CE2-CD1 3.43Å
21D90.9Very high95.2Very high128 Ų12875.5 Ų75.568%0.68436%0.364SS*.THydrogen-bonded Turntrans60.8173.2-165.4-154.1-5.2000112.5N23 Q24D21-N23 PolarHBondContact O-N 2.87Å; D21-Q24 HydrophobicContact CB-CG 4.45Å
22E83.5Confident95.3Very high176 Ų17671.3 Ų71.382%0.82235%0.347SS*.THydrogen-bonded Turntrans-66-25-171.1-68.2-168106.300113.7
23N87.7Confident95.4Very high157 Ų15761.7 Ų61.784%0.8431%0.306SS*.THydrogen-bonded Turntrans-141.317.9-170.8-66.3-69.1000114.5D21D21-N23 PolarHBondContact O-N 2.87Å
24Q94.7Very high95.3Very high98 Ų9860 Ų6046%0.45830%0.3SS..EExtended strand (participates in β ladder)trans-116.5145.6178.1-45-168.4-61.800111.6A19 Y20 D21A19-Q24 WeakPolarHBondContact CA-O 3.45Å; Y20-Q24 HydrophobicContact CD1-CB 4.23Å; Y20-Q24 HydrophobicContact CD2-CB 4.23Å; Y20-Q24 HydrophobicContact CE1-CB 3.71Å; Y20-Q24 HydrophobicContact CE2-CB 3.75Å; Y20-Q24 HydrophobicContact CE2-CG 4.39Å; Y20-Q24 HydrophobicContact CG-CB 4.45Å; Y20-Q24 VanDerWaalsContact CZ-CB 3.46Å; Y20-Q24 PolarHBondContact N-O 2.88Å; Y20-Q24 CarbonylContact O-C 3.51Å; Y20-Q24 WeakPolarHBondContact O-CA 3.34Å; Y20-Q24 VanDerWaalsContact O-CB 3.27Å; Y20-Q24 WeakPolarHBondContact O-CB 3.2Å; Y20-Q24 PolarHBondContact O-N 2.8Å; D21-Q24 HydrophobicContact CB-CG 4.45Å
25E96.3Very high95Very high92 Ų9262.9 Ų62.943%0.4331%0.311SS..EExtended strand (participates in β ladder)trans-133.814217363.6-176.5-166.400109.5K7 F17 I18 Y20K7-E25 IonicContact NZ-OE2 3.23Å; K7-E25 PolarHBondContact NZ-OE2 2.96Å; F17-E25 HydrophobicContact CD1-CB 4.16Å; F17-E25 HydrophobicContact CD1-CG 3.89Å; F17-E25 HydrophobicContact CE1-CG 4.43Å; I18-E25 CarbonylContact O-C 3.52Å; I18-E25 VanDerWaalsContact O-CA 3.26Å; I18-E25 WeakPolarHBondContact O-CA 3.27Å; Y20-E25 VanDerWaalsContact CE1-C 3.46Å
26V97.2Very high94.6Very high1 Ų167.1 Ų67.11%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-119.3138.4179.464.80000109.3F17 I18 Y20 F49 I51 Q59 A60F17-V26 WeakPolarHBondContact CA-O 3.33Å; I18-V26 HydrophobicContact CB-CG1 3.92Å; I18-V26 PolarHBondContact N-O 2.88Å; I18-V26 PolarHBondContact O-N 2.89Å; Y20-V26 HydrophobicContact CD1-CB 3.91Å; Y20-V26 HydrophobicContact CD1-CG1 3.8Å; Y20-V26 HydrophobicContact CE1-CB 3.52Å; Y20-V26 HydrophobicContact CE1-CG1 3.96Å; V26-F49 HydrophobicContact CG1-CD2 4.22Å; V26-F49 HydrophobicContact CG1-CE2 3.59Å; V26-F49 HydrophobicContact CG1-CZ 3.93Å; V26-I51 HydrophobicContact CG2-CG1 4.44Å; V26-Q59 VanDerWaalsContact CG2-CA 3.49Å; V26-A60 HydrophobicContact CG1-CB 4.03Å; V26-A60 HydrophobicContact CG2-CB 4.29Å
27F97.7Very high94.3Very high68 Ų6870.6 Ų70.630%0.29837%0.374SS..EExtended strand (participates in β ladder)trans-66.3136.1173.3172.4-99.8000110.6Y15 F17 H29 Q59 A60Y15-F27 AromaticContact CD2-CE2 3.75Å; Y15-F27 HydrophobicContact CD2-CE2 3.75Å; Y15-F27 AromaticContact CG-CE2 3.92Å; Y15-F27 HydrophobicContact CG-CE2 3.92Å; Y15-F27 HydrophobicContact CG-CZ 4.41Å; F17-F27 HydrophobicContact CE1-CB 4.16Å; F17-F27 HydrophobicContact CE2-CD2 4.3Å; F17-F27 HydrophobicContact CZ-CB 4.39Å; F17-F27 HydrophobicContact CZ-CD2 4.23Å; F27-H29 HydrophobicContact CE1-CB 3.88Å; F27-H29 HydrophobicContact CZ-CB 4.1Å; F27-Q59 HydrophobicContact CD1-CB 3.88Å; F27-Q59 CarbonylContact O-C 3.54Å; F27-Q59 VanDerWaalsContact O-CA 3.27Å; F27-Q59 WeakPolarHBondContact O-CA 3.37Å; F27-A60 PolarHBondContact O-N 2.85Å
28V97.6Very high93.9Very high0 Ų074.6 Ų74.60%039%0.392CS..EExtended strand (participates in β ladder)trans-125.7133.7172.756.80000110.3F9 Y15 G16 I18 L41 A60 V63F9-V28 HydrophobicContact CD2-CG1 4.28Å; F9-V28 HydrophobicContact CE2-CG1 4.46Å; Y15-V28 CarbonylContact C-O 3.56Å; Y15-V28 WeakPolarHBondContact CA-O 3.36Å; Y15-V28 WeakPolarHBondContact CB-O 3.39Å; G16-V28 VanDerWaalsContact C-CG1 3.47Å; G16-V28 PolarHBondContact N-O 2.91Å; G16-V28 WeakPolarHBondContact O-CG1 3.45Å; G16-V28 PolarHBondContact O-N 2.81Å; I18-V28 HydrophobicContact CD1-CB 3.88Å; I18-V28 HydrophobicContact CD1-CG1 4.02Å; I18-V28 HydrophobicContact CD1-CG2 4.17Å; I18-V28 HydrophobicContact CG1-CB 4.33Å; I18-V28 HydrophobicContact CG1-CG1 3.95Å; V28-L41 HydrophobicContact CG1-CD1 4.06Å; V28-L41 HydrophobicContact CG2-CD1 4.08Å; V28-A60 HydrophobicContact CB-CB 4.12Å; V28-A60 HydrophobicContact CG2-CB 4.35Å; V28-V63 HydrophobicContact CG2-CG2 3.91Å
29H97.1Very high93.7Very high55 Ų5578.1 Ų78.126%0.25541%0.408SS..EExtended strand (participates in β ladder)trans-109.4149171.1-173.2-115.6000109.5G14 F27 T31 A32G14-H29 PolarHBondContact O-CD2 2.75Å; G14-H29 VanDerWaalsContact O-CD2 3.25Å; F27-H29 HydrophobicContact CE1-CB 3.88Å; F27-H29 HydrophobicContact CZ-CB 4.1Å; H29-T31 VanDerWaalsContact CE1-CG2 3.49Å; H29-T31 WeakPolarHBondContact CE1-CG2 3.35Å; H29-T31 VanDerWaalsContact ND1-CG2 3.35Å; H29-T31 WeakPolarHBondContact ND1-CG2 3.45Å; H29-T31 PolarHBondContact ND1-OG1 3.42Å; H29-T31 PolarHBondContact O-N 2.9Å; H29-A32 VanDerWaalsContact O-CB 3.3Å; H29-A32 WeakPolarHBondContact O-CB 3.41Å; H29-A32 PolarHBondContact O-N 2.91Å
30F96.1Very high93.5Very high87 Ų8777.1 Ų77.138%0.38240%0.398SS..G310 helixtrans-56.6-27.9-176.377.6-91.4000113F9 G14 A32 I33 K39F9-F30 HydrophobicContact CZ-CB 4.1Å; G14-F30 WeakPolarHBondContact O-CD1 3.24Å; G14-F30 PolarHBondContact O-N 3.04Å; F30-A32 PolarHBondContact O-N 3.2Å; F30-I33 HydrophobicContact CB-CD1 4.45Å; F30-I33 WeakPolarHBondContact O-CB 3.42Å; F30-I33 PolarHBondContact O-N 2.84Å; F30-I33 VanDerWaalsContact O-N 3.16Å; F30-K39 HydrophobicContact CB-CB 4.4Å; F30-K39 VanDerWaalsContact O-CD 3.28Å; F30-K39 WeakPolarHBondContact O-CD 3.48Å
31T95.5Very high93.6Very high87 Ų8775.6 Ų75.653%0.53439%0.392SS..G310 helixtrans-64.2-22.8177.357.20000113.2H29H29-T31 VanDerWaalsContact CE1-CG2 3.49Å; H29-T31 WeakPolarHBondContact CE1-CG2 3.35Å; H29-T31 VanDerWaalsContact ND1-CG2 3.35Å; H29-T31 WeakPolarHBondContact ND1-CG2 3.45Å; H29-T31 PolarHBondContact ND1-OG1 3.42Å; H29-T31 PolarHBondContact O-N 2.9Å
32A96.4Very high93.9Very high15 Ų1573.4 Ų73.412%0.12438%0.381CS..G310 helixtrans-81-14.9178.100000113.3H29 F30 A60 H62 V63H29-A32 VanDerWaalsContact O-CB 3.3Å; H29-A32 WeakPolarHBondContact O-CB 3.41Å; H29-A32 PolarHBondContact O-N 2.91Å; F30-A32 PolarHBondContact O-N 3.2Å; A32-A60 WeakPolarHBondContact CB-O 3.39Å; A32-H62 PolarHBondContact O-N 2.89Å; A32-V63 HydrophobicContact CB-CG2 4.01Å; A32-V63 PolarHBondContact O-N 2.91Å
33I96.8Very high94.5Very high2 Ų269.4 Ų69.41%0.0137%0.37CS..BIsolated β-bridgetrans-77.3125.2-177.7-54.7169.9000109.6F9 F30 E35 K39 L41F9-I33 HydrophobicContact CE2-CD1 4.08Å; F9-I33 HydrophobicContact CZ-CD1 3.89Å; F30-I33 HydrophobicContact CB-CD1 4.45Å; F30-I33 WeakPolarHBondContact O-CB 3.42Å; F30-I33 PolarHBondContact O-N 2.84Å; F30-I33 VanDerWaalsContact O-N 3.16Å; I33-E35 HydrophobicContact CG2-CB 3.85Å; I33-E35 PolarHBondContact O-N 3.25Å; I33-K39 HydrophobicContact CB-CB 4.12Å; I33-K39 HydrophobicContact CB-CD 4.34Å; I33-K39 HydrophobicContact CB-CG 4.44Å; I33-K39 HydrophobicContact CD1-CB 4.2Å; I33-K39 HydrophobicContact CG2-CB 4.35Å; I33-K39 WeakPolarHBondContact O-CD 3.43Å; I33-K39 WeakPolarHBondContact O-CE 3.31Å; I33-K39 PolarHBondContact O-NZ 3.02Å; I33-L41 HydrophobicContact CD1-CD1 4.07Å; I33-L41 HydrophobicContact CD1-CD2 4.36Å; I33-L41 HydrophobicContact CD1-CG 3.75Å; I33-L41 HydrophobicContact CG1-CD1 4.34Å; I33-L41 HydrophobicContact CG1-CG 4.33Å
34E95.3Very high95Very high91 Ų9164.3 Ų64.343%0.42536%0.355SS..  trans-95.470.2175.7-62.5-163.8160.600110H62 V63 K64E34-H62 IonicContact OE1-CE1 3.75Å; E34-H62 IonicContact OE1-CG 3.58Å; E34-H62 IonicContact OE1-ND1 2.71Å; E34-H62 PolarHBondContact OE1-ND1 2.81Å; E34-V63 PolarHBondContact N-O 2.93Å; E34-K64 HydrophobicContact CB-CG 4.05Å; E34-K64 WeakPolarHBondContact OE2-CE 3.38Å; E34-K64 IonicContact OE2-NZ 3.62Å; E34-K64 PolarHBondContact OE2-NZ 2.81Å
35E90.5Very high95.1Very high67 Ų6761.6 Ų61.631%0.31334%0.343SS..  trans-131.6146.1175.9-170.6175.268.600109.3I33 K39 K65I33-E35 HydrophobicContact CG2-CB 3.85Å; I33-E35 PolarHBondContact O-N 3.25Å; E35-K39 WeakPolarHBondContact O-CE 3.37Å; E35-K65 IonicContact OE1-NZ 2.83Å; E35-K65 PolarHBondContact OE1-NZ 3.43Å; E35-K65 WeakPolarHBondContact OE2-CD 3.4Å; E35-K65 IonicContact OE2-NZ 2.7Å; E35-K65 PolarHBondContact OE2-NZ 3.33Å
36D88.6Confident95.1Very high164 Ų16461.6 Ų61.688%0.87734%0.343SS*.SBendtrans-78.6138173.3-72.1-49.9000110.6
37G90.5Very high95.1Very high72 Ų7261.5 Ų61.574%0.74234%0.343SS*.SBendtrans83.2-131.8178.800000113.6K39G37-K39 PolarHBondContact O-N 2.89Å
38F90Very high95.1Very high136 Ų13660.3 Ų60.360%0.59634%0.339SS*.SBendtrans-81.7104.7-173.4-177.3-103.4000111.4E11 S40E11-F38 HydrophobicContact CB-CZ 4.35Å; F38-S40 PolarHBondContact O-N 2.82Å; F38-S40 VanDerWaalsContact O-N 3.16Å
39K93.2Very high95.1Very high74 Ų7460.3 Ų60.332%0.32234%0.339SS..  trans-74.9101.3-175.6-62.7-174.3178.8-1550112F30 I33 E35 G37F30-K39 HydrophobicContact CB-CB 4.4Å; F30-K39 VanDerWaalsContact O-CD 3.28Å; F30-K39 WeakPolarHBondContact O-CD 3.48Å; I33-K39 HydrophobicContact CB-CB 4.12Å; I33-K39 HydrophobicContact CB-CD 4.34Å; I33-K39 HydrophobicContact CB-CG 4.44Å; I33-K39 HydrophobicContact CD1-CB 4.2Å; I33-K39 HydrophobicContact CG2-CB 4.35Å; I33-K39 WeakPolarHBondContact O-CD 3.43Å; I33-K39 WeakPolarHBondContact O-CE 3.31Å; I33-K39 PolarHBondContact O-NZ 3.02Å; E35-K39 WeakPolarHBondContact O-CE 3.37Å; G37-K39 PolarHBondContact O-N 2.89Å
40S94.2Very high95.1Very high15 Ų1560 Ų6011%0.10534%0.341CS..  trans-138.7160.2-179.755.30000111.3F38 K65F38-S40 PolarHBondContact O-N 2.82Å; F38-S40 VanDerWaalsContact O-N 3.16Å; S40-K65 WeakPolarHBondContact O-CE 3.32Å; S40-K65 PolarHBondContact O-NZ 3.39Å
41L96.4Very high95.1Very high2 Ų258 Ų581%0.0133%0.334CS..  trans-131.1142.5174-64.9172.2000108V6 F9 V28 I33 V47 V63 K65V6-L41 HydrophobicContact CG1-CB 3.92Å; V6-L41 HydrophobicContact CG2-CB 3.97Å; V6-L41 HydrophobicContact CG2-CD1 3.96Å; V6-L41 HydrophobicContact CG2-CD2 4.25Å; V6-L41 HydrophobicContact CG2-CG 4.27Å; F9-L41 HydrophobicContact CB-CB 4.01Å; F9-L41 VanDerWaalsContact CB-O 3.24Å; F9-L41 WeakPolarHBondContact CB-O 3.3Å; F9-L41 HydrophobicContact CD1-CB 4.43Å; F9-L41 HydrophobicContact CD2-CB 4.03Å; F9-L41 HydrophobicContact CD2-CD1 3.99Å; F9-L41 HydrophobicContact CD2-CG 4.29Å; F9-L41 HydrophobicContact CE2-CD1 4.21Å; F9-L41 HydrophobicContact CE2-CG 4.49Å; F9-L41 HydrophobicContact CG-CB 3.92Å; V28-L41 HydrophobicContact CG1-CD1 4.06Å; V28-L41 HydrophobicContact CG2-CD1 4.08Å; I33-L41 HydrophobicContact CD1-CD1 4.07Å; I33-L41 HydrophobicContact CD1-CD2 4.36Å; I33-L41 HydrophobicContact CD1-CG 3.75Å; I33-L41 HydrophobicContact CG1-CD1 4.34Å; I33-L41 HydrophobicContact CG1-CG 4.33Å; L41-V47 HydrophobicContact CD2-CG1 3.92Å; L41-V63 HydrophobicContact CD1-CG1 4.39Å; L41-V63 HydrophobicContact CD2-CG1 4.46Å; L41-K65 HydrophobicContact CD2-CG 4.15Å
42D96.5Very high95.2Very high83 Ų8356.5 Ų56.544%0.44433%0.325SS..  trans-102143.8175.2-72.5-63.1000110.8V6 G44 D45V6-D42 VanDerWaalsContact CB-O 3.31Å; V6-D42 WeakPolarHBondContact CB-O 3.29Å; V6-D42 WeakPolarHBondContact CG1-O 3.49Å; D42-G44 PolarHBondContact O-N 2.78Å; D42-D45 PolarHBondContact N-OD2 2.8Å; D42-D45 WeakPolarHBondContact O-CB 3.35Å; D42-D45 PolarHBondContact O-N 2.88Å
43P97.2Very high95.2Very high91 Ų9163.5 Ų63.559%0.59136%0.355SS*.THydrogen-bonded Turntrans-56124172.5-21.231.3000111.1V6V6-P43 WeakPolarHBondContact O-CA 3.12Å
44G97Very high95Very high51 Ų5164.6 Ų64.653%0.52637%0.366SS..THydrogen-bonded Turntrans100.8-10.7-175.800000114.9V6 D42 E46V6-G44 PolarHBondContact O-N 2.84Å; D42-G44 PolarHBondContact O-N 2.78Å; G44-E46 PolarHBondContact O-N 3.16Å
45D96.8Very high94.7Very high41 Ų4165.6 Ų65.622%0.21939%0.391CS..  trans-59.6132.1175.2-79.5-9.1000111I5 V6 D42 V47 K65I5-D45 CarbonylContact C-O 3.6Å; I5-D45 WeakPolarHBondContact CA-O 3.42Å; V6-D45 HydrophobicContact CB-CB 4.2Å; V6-D45 HydrophobicContact CG2-CB 3.83Å; V6-D45 PolarHBondContact N-O 3.22Å; D42-D45 PolarHBondContact N-OD2 2.8Å; D42-D45 WeakPolarHBondContact O-CB 3.35Å; D42-D45 PolarHBondContact O-N 2.88Å; D45-V47 HydrophobicContact CB-CG1 4.35Å; D45-K65 WeakPolarHBondContact OD2-CE 3.39Å
46E97.1Very high94.7Very high91 Ų9174.5 Ų74.543%0.42542%0.421SS..EExtended strand (participates in β ladder)trans-83.4126.3168.2-168.1-179.7176.500109.4G4 I5 G44 K66G4-E46 WeakPolarHBondContact O-CA 3.16Å; I5-E46 HydrophobicContact CD1-CB 3.94Å; I5-E46 HydrophobicContact CD1-CG 4.02Å; G44-E46 PolarHBondContact O-N 3.16Å; E46-K66 HydrophobicContact CB-CB 4.46Å; E46-K66 HydrophobicContact CG-CD 3.88Å; E46-K66 HydrophobicContact CG-CG 4.34Å; E46-K66 PolarHBondContact O-N 2.83Å; E46-K66 WeakPolarHBondContact OE1-CD 3.07Å; E46-K66 WeakPolarHBondContact OE1-CE 3.48Å; E46-K66 IonicContact OE1-NZ 3.42Å; E46-K66 PolarHBondContact OE1-NZ 2.71Å
47V97.4Very high94.9Very high0 Ų068.3 Ų68.30%040%0.396CS..EExtended strand (participates in β ladder)trans-131.5144.7-176.4-62.70000112.1S3 G4 V6 I18 L41 D45 F49 V63 K64 K65S3-V47 CarbonylContact C-O 3.49Å; S3-V47 VanDerWaalsContact CA-O 3.29Å; S3-V47 WeakPolarHBondContact CA-O 3.15Å; G4-V47 PolarHBondContact N-O 2.7Å; G4-V47 PolarHBondContact O-N 3.42Å; V6-V47 HydrophobicContact CG2-CG1 3.87Å; V6-V47 HydrophobicContact CG2-CG2 4.14Å; I18-V47 HydrophobicContact CD1-CG2 3.71Å; I18-V47 HydrophobicContact CG1-CG2 3.97Å; I18-V47 HydrophobicContact CG2-CG2 3.73Å; L41-V47 HydrophobicContact CD2-CG1 3.92Å; D45-V47 HydrophobicContact CB-CG1 4.35Å; V47-F49 HydrophobicContact CG2-CD1 4.13Å; V47-V63 HydrophobicContact CB-CG1 4Å; V47-V63 HydrophobicContact CG1-CG1 4.19Å; V47-V63 HydrophobicContact CG2-CG1 4.28Å; V47-K64 CarbonylContact C-O 3.46Å; V47-K64 WeakPolarHBondContact CA-O 3.49Å; V47-K64 WeakPolarHBondContact CB-O 3.4Å; V47-K65 HydrophobicContact CG1-CG 4.31Å
48D97.5Very high95.1Very high42 Ų4269.6 Ų69.623%0.22538%0.384CS..EExtended strand (participates in β ladder)trans-99.1139.4165.7-72.6-37.4000110.2M1 N2 S3 V63 K64 K66M1-D48 HydrophobicContact CG-CB 4.49Å; N2-D48 CarbonylContact O-C 3.58Å; N2-D48 WeakPolarHBondContact O-CA 3.15Å; S3-D48 WeakPolarHBondContact CB-OD1 3.46Å; S3-D48 PolarHBondContact OG-OD1 3.42Å; D48-V63 CarbonylContact O-C 3.58Å; D48-V63 VanDerWaalsContact O-CA 3.3Å; D48-V63 WeakPolarHBondContact O-CA 3.3Å; D48-K64 PolarHBondContact N-O 2.8Å; D48-K64 PolarHBondContact O-N 2.85Å; D48-K66 WeakPolarHBondContact OD1-CE 3.48Å; D48-K66 IonicContact OD1-NZ 2.7Å; D48-K66 WeakPolarHBondContact OD2-CE 2.65Å
49F97.6Very high95.5Very high1 Ų165.7 Ų65.70%0.00437%0.368CS..EExtended strand (participates in β ladder)trans-155.7171.9-177.662.2-83.5000112.4M1 N2 I18 Y20 V26 V47 I51 A60 V63M1-F49 CarbonylContact C-O 3.59Å; M1-F49 WeakPolarHBondContact CA-O 3.04Å; N2-F49 HydrophobicContact CB-CD2 4.31Å; N2-F49 HydrophobicContact CB-CE1 4.18Å; N2-F49 HydrophobicContact CB-CE2 3.82Å; N2-F49 HydrophobicContact CB-CZ 3.75Å; N2-F49 PolarHBondContact N-O 3.25Å; N2-F49 PolarHBondContact O-N 2.95Å; I18-F49 HydrophobicContact CD1-CD1 4.27Å; I18-F49 HydrophobicContact CG2-CD1 4.21Å; I18-F49 HydrophobicContact CG2-CE1 3.61Å; I18-F49 HydrophobicContact CG2-CZ 4.13Å; Y20-F49 HydrophobicContact CD1-CZ 4.11Å; Y20-F49 HydrophobicContact CG-CE2 4.49Å; Y20-F49 AromaticContact CG-CZ 3.86Å; Y20-F49 HydrophobicContact CG-CZ 3.86Å; V26-F49 HydrophobicContact CG1-CD2 4.22Å; V26-F49 HydrophobicContact CG1-CE2 3.59Å; V26-F49 HydrophobicContact CG1-CZ 3.93Å; V47-F49 HydrophobicContact CG2-CD1 4.13Å; F49-I51 HydrophobicContact CD2-CG1 4.08Å; F49-I51 HydrophobicContact CE2-CD1 4.09Å; F49-I51 HydrophobicContact CE2-CG1 3.6Å; F49-A60 HydrophobicContact CB-CB 4.16Å; F49-A60 HydrophobicContact CD2-CB 3.85Å; F49-A60 HydrophobicContact CG-CB 4.16Å; F49-V63 HydrophobicContact CB-CB 4.46Å; F49-V63 HydrophobicContact CB-CG2 3.87Å
50V97Very high95.7Very high47 Ų4762.1 Ų62.129%0.28535%0.352SS..EExtended strand (participates in β ladder)trans-115.8138.6169.7-1790000108.4V52 A60 A61V50-V52 HydrophobicContact CG1-CG1 4.09Å; V50-A60 CarbonylContact O-C 3.54Å; V50-A60 WeakPolarHBondContact O-CA 3.49Å; V50-A61 PolarHBondContact N-O 2.7Å; V50-A61 PolarHBondContact O-N 3.49Å
51I96.4Very high95.8Very high47 Ų4762.3 Ų62.324%0.24135%0.354CS..EExtended strand (participates in β ladder)trans-87.7126.1172.4-63.5169.7000108N2 Y20 V26 F49 M58N2-I51 WeakPolarHBondContact ND2-CD1 3.49Å; N2-I51 WeakPolarHBondContact ND2-CG1 3.12Å; Y20-I51 HydrophobicContact CD2-CD1 4.02Å; Y20-I51 HydrophobicContact CE1-CD1 4.15Å; Y20-I51 HydrophobicContact CE2-CD1 3.43Å; Y20-I51 VanDerWaalsContact CE2-CD1 3.43Å; V26-I51 HydrophobicContact CG2-CG1 4.44Å; F49-I51 HydrophobicContact CD2-CG1 4.08Å; F49-I51 HydrophobicContact CE2-CD1 4.09Å; F49-I51 HydrophobicContact CE2-CG1 3.6Å; I51-M58 HydrophobicContact CG2-CB 3.96Å; I51-M58 HydrophobicContact CG2-CG 4.31Å; I51-M58 HydrophobicContact CG2-SD 4.06Å
52V96.7Very high95.9Very high55 Ų5567.3 Ų67.333%0.33338%0.378SS..EExtended strand (participates in β ladder)trans-127.8150.3176.3-59.10000110.2V50 M58 Q59 A61V50-V52 HydrophobicContact CG1-CG1 4.09Å; V52-M58 WeakPolarHBondContact O-CA 3.28Å; V52-Q59 HydrophobicContact CG2-CG 3.75Å; V52-Q59 PolarHBondContact N-O 2.81Å; V52-Q59 PolarHBondContact O-N 3.24Å; V52-A61 HydrophobicContact CG1-CB 3.97Å; V52-A61 HydrophobicContact CG2-CB 3.81Å
53E95.8Very high95.9Very high161 Ų16163.4 Ų63.475%0.75236%0.356SS*.EExtended strand (participates in β ladder)trans-77.9129.2170.5-174.5171.6-166.300109.5M58E53-M58 HydrophobicContact CB-CE 3.73Å; E53-M58 HydrophobicContact CB-SD 4.34Å; E53-M58 HydrophobicContact CG-CE 3.7Å
54G92.4Very high95.9Very high25 Ų2564 Ų6426%0.25835%0.35SS..EExtended strand (participates in β ladder)trans-134.1-170166.300000112.8R56 G57G54-R56 PolarHBondContact O-N 3.32Å; G54-G57 PolarHBondContact N-O 3.16Å; G54-G57 PolarHBondContact O-N 3.3Å
55A90.5Very high95.8Very high113 Ų11364.8 Ų64.893%0.93434%0.339SS*.THydrogen-bonded Turntrans-60.4-16.7-166.300000115.5
56R89.1Confident95.4Very high254 Ų25470.1 Ų70.196%0.95836%0.36SS*.THydrogen-bonded Turntrans-123.622.6-179-63.7-174.9175.9177.2-0.7113.1G54G54-R56 PolarHBondContact O-N 3.32Å
57G93.4Very high95.3Very high34 Ų3469.1 Ų69.135%0.35136%0.357SS..EExtended strand (participates in β ladder)trans103.5-163-176.900000113G54G54-G57 PolarHBondContact N-O 3.16Å; G54-G57 PolarHBondContact O-N 3.3Å
58M95.3Very high95.2Very high99 Ų9972.7 Ų72.749%0.48838%0.375SS..EExtended strand (participates in β ladder)trans-67.6133.7-176.4-60.2-60.112600111.1I51 V52 E53I51-M58 HydrophobicContact CG2-CB 3.96Å; I51-M58 HydrophobicContact CG2-CG 4.31Å; I51-M58 HydrophobicContact CG2-SD 4.06Å; V52-M58 WeakPolarHBondContact O-CA 3.28Å; E53-M58 HydrophobicContact CB-CE 3.73Å; E53-M58 HydrophobicContact CB-SD 4.34Å; E53-M58 HydrophobicContact CG-CE 3.7Å
59Q97.5Very high95.1Very high53 Ų5374.4 Ų74.425%0.24838%0.384CS..EExtended strand (participates in β ladder)trans-139.4157.5176.871.5-167.5-86.200112.1V26 F27 V52V26-Q59 VanDerWaalsContact CG2-CA 3.49Å; F27-Q59 HydrophobicContact CD1-CB 3.88Å; F27-Q59 CarbonylContact O-C 3.54Å; F27-Q59 VanDerWaalsContact O-CA 3.27Å; F27-Q59 WeakPolarHBondContact O-CA 3.37Å; V52-Q59 HydrophobicContact CG2-CG 3.75Å; V52-Q59 PolarHBondContact N-O 2.81Å; V52-Q59 PolarHBondContact O-N 3.24Å
60A97.7Very high94.9Very high0 Ų078.7 Ų78.70%041%0.406CS..EExtended strand (participates in β ladder)trans-79.2136.3174.500000110.4I18 V26 F27 V28 A32 F49 V50 V63I18-A60 HydrophobicContact CD1-CB 3.97Å; V26-A60 HydrophobicContact CG1-CB 4.03Å; V26-A60 HydrophobicContact CG2-CB 4.29Å; F27-A60 PolarHBondContact O-N 2.85Å; V28-A60 HydrophobicContact CB-CB 4.12Å; V28-A60 HydrophobicContact CG2-CB 4.35Å; A32-A60 WeakPolarHBondContact CB-O 3.39Å; F49-A60 HydrophobicContact CB-CB 4.16Å; F49-A60 HydrophobicContact CD2-CB 3.85Å; F49-A60 HydrophobicContact CG-CB 4.16Å; V50-A60 CarbonylContact O-C 3.54Å; V50-A60 WeakPolarHBondContact O-CA 3.49Å; A60-V63 HydrophobicContact CB-CG2 3.7Å
61A97.3Very high94.8Very high18 Ų1880.7 Ų80.715%0.14941%0.414CS..EExtended strand (participates in β ladder)trans-128.2157.1173.500000109.9V50 V52 V63V50-A61 PolarHBondContact N-O 2.7Å; V50-A61 PolarHBondContact O-N 3.49Å; V52-A61 HydrophobicContact CG1-CB 3.97Å; V52-A61 HydrophobicContact CG2-CB 3.81Å; A61-V63 VanDerWaalsContact C-N 3.28Å; A61-V63 PolarHBondContact O-N 2.85Å
62H97Very high94.7Very high108 Ų10882.9 Ų82.950%0.543%0.425SS..EExtended strand (participates in β ladder)trans5245.1-180-57-71.7000112.9A32 E34 K64A32-H62 PolarHBondContact O-N 2.89Å; E34-H62 IonicContact OE1-CE1 3.75Å; E34-H62 IonicContact OE1-CG 3.58Å; E34-H62 IonicContact OE1-ND1 2.71Å; E34-H62 PolarHBondContact OE1-ND1 2.81Å; H62-K64 PolarHBondContact O-N 2.57Å
63V97.4Very high94.5Very high0 Ų084.9 Ų84.90%043%0.432CS..EExtended strand (participates in β ladder)trans-75.2122.8-174.9-176.70000109.7I18 V28 A32 E34 L41 V47 D48 F49 A60 A61I18-V63 HydrophobicContact CD1-CG1 4.15Å; I18-V63 HydrophobicContact CD1-CG2 4.36Å; V28-V63 HydrophobicContact CG2-CG2 3.91Å; A32-V63 HydrophobicContact CB-CG2 4.01Å; A32-V63 PolarHBondContact O-N 2.91Å; E34-V63 PolarHBondContact N-O 2.93Å; L41-V63 HydrophobicContact CD1-CG1 4.39Å; L41-V63 HydrophobicContact CD2-CG1 4.46Å; V47-V63 HydrophobicContact CB-CG1 4Å; V47-V63 HydrophobicContact CG1-CG1 4.19Å; V47-V63 HydrophobicContact CG2-CG1 4.28Å; D48-V63 CarbonylContact O-C 3.58Å; D48-V63 VanDerWaalsContact O-CA 3.3Å; D48-V63 WeakPolarHBondContact O-CA 3.3Å; F49-V63 HydrophobicContact CB-CB 4.46Å; F49-V63 HydrophobicContact CB-CG2 3.87Å; A60-V63 HydrophobicContact CB-CG2 3.7Å; A61-V63 VanDerWaalsContact C-N 3.28Å; A61-V63 PolarHBondContact O-N 2.85Å
64K96.6Very high94.4Very high105 Ų10579.1 Ų79.146%0.45741%0.407SS..EExtended strand (participates in β ladder)trans-125133.7177.1-66.8-179-176.2-176.30110.1E34 V47 D48 H62E34-K64 HydrophobicContact CB-CG 4.05Å; E34-K64 WeakPolarHBondContact OE2-CE 3.38Å; E34-K64 IonicContact OE2-NZ 3.62Å; E34-K64 PolarHBondContact OE2-NZ 2.81Å; V47-K64 CarbonylContact C-O 3.46Å; V47-K64 WeakPolarHBondContact CA-O 3.49Å; V47-K64 WeakPolarHBondContact CB-O 3.4Å; D48-K64 PolarHBondContact N-O 2.8Å; D48-K64 PolarHBondContact O-N 2.85Å; H62-K64 PolarHBondContact O-N 2.57Å
65K94.2Very high94.6Very high67 Ų6783.6 Ų83.629%0.29142%0.42SS..EExtended strand (participates in β ladder)trans-66.8140.3165.1-65.5174.9-176159.70109.2E35 S40 L41 D45 V47E35-K65 IonicContact OE1-NZ 2.83Å; E35-K65 PolarHBondContact OE1-NZ 3.43Å; E35-K65 WeakPolarHBondContact OE2-CD 3.4Å; E35-K65 IonicContact OE2-NZ 2.7Å; E35-K65 PolarHBondContact OE2-NZ 3.33Å; S40-K65 WeakPolarHBondContact O-CE 3.32Å; S40-K65 PolarHBondContact O-NZ 3.39Å; L41-K65 HydrophobicContact CD2-CG 4.15Å; D45-K65 WeakPolarHBondContact OD2-CE 3.39Å; V47-K65 HydrophobicContact CG1-CG 4.31Å
66K89.4Confident95Very high152 Ų15280.9 Ų80.966%0.66137%0.373SS*.  trans-80.70166.8-70.1-164-172.5167.20110.8S3 E46 D48S3-K66 PolarHBondContact OG-NZ 3.23Å; E46-K66 HydrophobicContact CB-CB 4.46Å; E46-K66 HydrophobicContact CG-CD 3.88Å; E46-K66 HydrophobicContact CG-CG 4.34Å; E46-K66 PolarHBondContact O-N 2.83Å; E46-K66 WeakPolarHBondContact OE1-CD 3.07Å; E46-K66 WeakPolarHBondContact OE1-CE 3.48Å; E46-K66 IonicContact OE1-NZ 3.42Å; E46-K66 PolarHBondContact OE1-NZ 2.71Å; D48-K66 WeakPolarHBondContact OD1-CE 3.48Å; D48-K66 IonicContact OD1-NZ 2.7Å; D48-K66 WeakPolarHBondContact OD2-CE 2.65Å

Retrieved 66 of 66 residues in 40.8 ms (Link to these results)

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