X5J5R4_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5R4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 102 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
1L96.7Very high95.2Very high67 Ų6767 Ų6735%0.35140%0.403SS..  0141.10-64.3166000108.6W17 Y61 L62 Y75 T96L1-W17 HydrophobicContact CB-CH2 3.74Å; L1-W17 HydrophobicContact CB-CZ3 3.7Å; L1-W17 HydrophobicContact CD1-CZ3 4.23Å; L1-Y61 VanDerWaalsContact O-CA 3.32Å; L1-Y61 WeakPolarHBondContact O-CA 3.16Å; L1-L62 HydrophobicContact CB-CB 4.34Å; L1-L62 HydrophobicContact CD1-CD2 4.05Å; L1-L62 PolarHBondContact N-O 3.2Å; L1-L62 PolarHBondContact O-N 3.26Å; L1-Y75 HydrophobicContact CD1-CD1 3.75Å; L1-Y75 HydrophobicContact CD1-CD2 4.27Å; L1-Y75 HydrophobicContact CD1-CG 3.56Å; L1-T96 HydrophobicContact CD2-CG2 3.78Å
2S97.5Very high95Very high84 Ų8470.6 Ų70.659%0.58742%0.419SS*.EExtended strand (participates in β ladder)trans-124.9147.4176.2570000110.1A60S2-A60 CarbonylContact C-O 3.59Å; S2-A60 WeakPolarHBondContact CA-O 3.34Å
3C97.4Very high94.9Very high16 Ų1671.2 Ų71.211%0.10841%0.41CS..EExtended strand (participates in β ladder)trans-137.1106.7177.8176.80000109.1W17 T59 A60 C77C3-W17 HydrophobicContact CB-CH2 3.86Å; C3-W17 HydrophobicContact CB-CZ2 4Å; C3-T59 CarbonylContact O-C 3.4Å; C3-T59 WeakPolarHBondContact O-CA 2.92Å; C3-A60 PolarHBondContact N-O 2.76Å; C3-A60 PolarHBondContact O-N 2.84Å; C3-C77 HydrophobicContact CB-CB 3.38Å; C3-C77 WeakPolarHBondContact CB-SG 3.09Å; C3-C77 WeakPolarHBondContact SG-CB 3.34Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 2.76Å
4K97.2Very high94.9Very high156 Ų15671.7 Ų71.768%0.67840%0.403SS*.EExtended strand (participates in β ladder)trans-88.6121.5178.9-174.1173.5-175.9178.30109.8
5A94.7Very high95Very high7 Ų767.2 Ų67.26%0.05838%0.377CS..  trans-71.6136.2172.700000110.1F8 I10 N58A5-F8 HydrophobicContact CB-CD1 4.42Å; A5-F8 HydrophobicContact CB-CD2 4.12Å; A5-F8 HydrophobicContact CB-CE1 3.86Å; A5-F8 HydrophobicContact CB-CE2 3.52Å; A5-F8 HydrophobicContact CB-CZ 3.37Å; A5-I10 HydrophobicContact CB-CB 4.19Å; A5-I10 HydrophobicContact CB-CD1 4.22Å; A5-I10 HydrophobicContact CB-CG1 4.31Å; A5-N58 VanDerWaalsContact CB-ND2 3.34Å; A5-N58 WeakPolarHBondContact CB-ND2 3.43Å; A5-N58 PolarHBondContact N-O 3.11Å; A5-N58 PolarHBondContact O-ND2 3.35Å
6S93.7Very high95.1Very high109 Ų10963.4 Ų63.476%0.76236%0.356SS*.  trans-130.2135.7176.5-172.90000109F8S6-F8 VanDerWaalsContact C-N 3.3Å; S6-F8 WeakPolarHBondContact O-CD1 3.36Å; S6-F8 PolarHBondContact O-N 3.49Å
7G92.6Very high95.3Very high87 Ų8760 Ų6090%0.89734%0.336SS*.SBendtrans80.71.4-178.500000115.5
8F91.2Very high95.4Very high45 Ų4556.8 Ų56.820%0.19732%0.319CS..SBendtrans-152.116017365.3-86.1000111.5A5 S6 Y13 M15 N58 R79A5-F8 HydrophobicContact CB-CD1 4.42Å; A5-F8 HydrophobicContact CB-CD2 4.12Å; A5-F8 HydrophobicContact CB-CE1 3.86Å; A5-F8 HydrophobicContact CB-CE2 3.52Å; A5-F8 HydrophobicContact CB-CZ 3.37Å; S6-F8 VanDerWaalsContact C-N 3.3Å; S6-F8 WeakPolarHBondContact O-CD1 3.36Å; S6-F8 PolarHBondContact O-N 3.49Å; F8-Y13 HydrophobicContact CB-CE2 3.99Å; F8-Y13 AromaticContact CD2-CD2 3.44Å; F8-Y13 HydrophobicContact CD2-CD2 3.44Å; F8-Y13 VanDerWaalsContact CD2-CD2 3.44Å; F8-Y13 AromaticContact CD2-CE2 3.77Å; F8-Y13 HydrophobicContact CD2-CE2 3.77Å; F8-Y13 HydrophobicContact CD2-CG 4.35Å; F8-Y13 AromaticContact CE2-CD2 3.94Å; F8-Y13 HydrophobicContact CE2-CD2 3.94Å; F8-Y13 HydrophobicContact CE2-CG 4.45Å; F8-Y13 HydrophobicContact CG-CD2 4.27Å; F8-Y13 HydrophobicContact CG-CE2 4.16Å; F8-M15 HydrophobicContact CE2-SD 4.22Å; F8-M15 HydrophobicContact CZ-SD 4.36Å; F8-N58 PolarHBondContact O-ND2 2.74Å; F8-R79 HydrophobicContact CE2-CG 4.32Å; F8-R79 HydrophobicContact CZ-CB 4.46Å; F8-R79 HydrophobicContact CZ-CG 4.24Å
9N95Very high95.4Very high75 Ų7553.9 Ų53.940%0.40130%0.302SS..  trans-83.7124.1172.6-179.6-4.4000109.8K11 D12N9-K11 PolarHBondContact O-N 2.71Å; N9-K11 PolarHBondContact OD1-N 2.85Å; N9-K11 VanDerWaalsContact OD1-N 3.08Å; N9-D12 WeakPolarHBondContact CB-OD2 3.27Å; N9-D12 PolarHBondContact O-N 3.16Å; N9-D12 VanDerWaalsContact O-N 3.11Å
10I95.4Very high95.4Very high0 Ų054.9 Ų54.90%030%0.304CS..G310 helixtrans-62.4-24.4-175.9-158.6162000112.4A5 D12 Y13 M15 P34 T55 N58 A60A5-I10 HydrophobicContact CB-CB 4.19Å; A5-I10 HydrophobicContact CB-CD1 4.22Å; A5-I10 HydrophobicContact CB-CG1 4.31Å; I10-D12 PolarHBondContact O-N 2.82Å; I10-Y13 PolarHBondContact O-N 2.9Å; I10-Y13 VanDerWaalsContact O-O 3.07Å; I10-M15 HydrophobicContact CD1-CG 3.92Å; I10-M15 HydrophobicContact CD1-SD 4.44Å; I10-M15 HydrophobicContact CG1-CG 3.6Å; I10-M15 HydrophobicContact CG1-SD 4.02Å; I10-P34 HydrophobicContact CG1-CB 4.36Å; I10-P34 HydrophobicContact CG1-CG 3.93Å; I10-P34 HydrophobicContact CG2-CB 4.23Å; I10-P34 VanDerWaalsContact O-CG 3.27Å; I10-P34 WeakPolarHBondContact O-CG 3.35Å; I10-T55 HydrophobicContact CG2-CG2 4.39Å; I10-N58 WeakPolarHBondContact CB-OD1 2.85Å; I10-N58 VanDerWaalsContact CG2-OD1 3.26Å; I10-N58 WeakPolarHBondContact CG2-OD1 3.44Å; I10-N58 PolarHBondContact N-OD1 2.86Å; I10-A60 HydrophobicContact CD1-CB 4.02Å
11K95.8Very high95.3Very high91 Ų9154.6 Ų54.640%0.39630%0.299SS..G310 helixtrans-66.8-19.5177.3-63.6-168.877.5175.80113.6N9 Y13 T55N9-K11 PolarHBondContact O-N 2.71Å; N9-K11 PolarHBondContact OD1-N 2.85Å; N9-K11 VanDerWaalsContact OD1-N 3.08Å; K11-Y13 VanDerWaalsContact C-N 3.33Å; K11-T55 HydrophobicContact CD-CG2 3.78Å; K11-T55 HydrophobicContact CG-CG2 3.43Å; K11-T55 VanDerWaalsContact CG-CG2 3.43Å
12D93.3Very high94.5Very high110 Ų11056.7 Ų56.759%0.58832%0.316SS*.G310 helixtrans-88.9-3.9-175-56.5-26.6000112.5N9 I10N9-D12 WeakPolarHBondContact CB-OD2 3.27Å; N9-D12 PolarHBondContact O-N 3.16Å; N9-D12 VanDerWaalsContact O-N 3.11Å; I10-D12 PolarHBondContact O-N 2.82Å
13Y92.7Very high93.7Very high78 Ų7862.6 Ų62.631%0.30633%0.334SS..SBendtrans-141.4146.3-173.1-59.2-88.7000112.7F8 I10 K11 P34 R79F8-Y13 HydrophobicContact CB-CE2 3.99Å; F8-Y13 AromaticContact CD2-CD2 3.44Å; F8-Y13 HydrophobicContact CD2-CD2 3.44Å; F8-Y13 VanDerWaalsContact CD2-CD2 3.44Å; F8-Y13 AromaticContact CD2-CE2 3.77Å; F8-Y13 HydrophobicContact CD2-CE2 3.77Å; F8-Y13 HydrophobicContact CD2-CG 4.35Å; F8-Y13 AromaticContact CE2-CD2 3.94Å; F8-Y13 HydrophobicContact CE2-CD2 3.94Å; F8-Y13 HydrophobicContact CE2-CG 4.45Å; F8-Y13 HydrophobicContact CG-CD2 4.27Å; F8-Y13 HydrophobicContact CG-CE2 4.16Å; I10-Y13 PolarHBondContact O-N 2.9Å; I10-Y13 VanDerWaalsContact O-O 3.07Å; K11-Y13 VanDerWaalsContact C-N 3.33Å; Y13-P34 WeakPolarHBondContact O-CD 3.5Å; Y13-R79 HydrophobicContact CD1-CG 3.8Å; Y13-R79 HydrophobicContact CG-CG 3.78Å
14Y94.8Very high93Very high79 Ų7966.4 Ų66.431%0.3135%0.351SS..  trans-69.1135.3166.3-55.3-36.4000110.5W31 I32 D33 P80Y14-W31 HydrophobicContact CD1-CE3 4.09Å; Y14-W31 AromaticContact CD1-CZ3 3.92Å; Y14-W31 HydrophobicContact CD1-CZ3 3.92Å; Y14-W31 HydrophobicContact CE1-CH2 4.42Å; Y14-W31 HydrophobicContact CE1-CZ3 4.07Å; Y14-W31 HydrophobicContact CG-CE3 4.11Å; Y14-W31 HydrophobicContact CG-CZ3 4.27Å; Y14-I32 CarbonylContact C-O 3.59Å; Y14-I32 WeakPolarHBondContact CA-O 3.41Å; Y14-D33 HydrophobicContact CD1-CB 3.67Å; Y14-D33 HydrophobicContact CE1-CB 3.62Å; Y14-P80 WeakPolarHBondContact O-CD 3.37Å
15M96.5Very high92.6Very high4 Ų461.6 Ų61.62%0.0235%0.345CS..EExtended strand (participates in β ladder)trans-104.4116.5176.2-64.1-55.9-56.900109.2F8 I10 W31 I32 P34 A60F8-M15 HydrophobicContact CE2-SD 4.22Å; F8-M15 HydrophobicContact CZ-SD 4.36Å; I10-M15 HydrophobicContact CD1-CG 3.92Å; I10-M15 HydrophobicContact CD1-SD 4.44Å; I10-M15 HydrophobicContact CG1-CG 3.6Å; I10-M15 HydrophobicContact CG1-SD 4.02Å; M15-W31 CarbonylContact O-C 3.55Å; M15-W31 WeakPolarHBondContact O-CA 3.27Å; M15-W31 WeakPolarHBondContact O-CB 3.48Å; M15-I32 HydrophobicContact CB-CG2 3.96Å; M15-I32 PolarHBondContact N-O 2.89Å; M15-I32 PolarHBondContact O-N 2.86Å; M15-P34 HydrophobicContact CG-CG 4.02Å; M15-A60 HydrophobicContact CB-CB 3.87Å; M15-A60 HydrophobicContact CG-CB 4.12Å
16N97.3Very high92.6Very high7 Ų765.8 Ų65.84%0.03737%0.366CS..EExtended strand (participates in β ladder)trans-100.4150-176.5-71.6-107.1000110.5W28 G30 W31 C77 A78 P80 F89N16-W28 PolarHBondContact OD1-NE1 3.25Å; N16-G30 WeakPolarHBondContact CA-O 3.36Å; N16-W31 HydrophobicContact CB-CB 4.34Å; N16-W31 WeakPolarHBondContact OD1-CB 3.49Å; N16-C77 CarbonylContact O-C 3.53Å; N16-C77 WeakPolarHBondContact O-CA 3.3Å; N16-A78 HydrophobicContact CB-CB 4.37Å; N16-A78 WeakPolarHBondContact CB-O 3.27Å; N16-A78 PolarHBondContact N-O 3.19Å; N16-A78 PolarHBondContact O-N 3.39Å; N16-P80 WeakPolarHBondContact ND2-CD 3.19Å; N16-F89 HydrophobicContact CB-CD1 4.43Å; N16-F89 HydrophobicContact CB-CE1 3.59Å; N16-F89 HydrophobicContact CB-CZ 3.9Å; N16-F89 WeakPolarHBondContact OD1-CE1 3.47Å; N16-F89 WeakPolarHBondContact OD1-CZ 3.26Å
17W97.9Very high92.6Very high5 Ų562.4 Ų62.42%0.01934%0.338CS..EExtended strand (participates in β ladder)trans-120.1136171.8-70.593.1000110.1L1 C3 I29 G30 L62 Y76 C77L1-W17 HydrophobicContact CB-CH2 3.74Å; L1-W17 HydrophobicContact CB-CZ3 3.7Å; L1-W17 HydrophobicContact CD1-CZ3 4.23Å; C3-W17 HydrophobicContact CB-CH2 3.86Å; C3-W17 HydrophobicContact CB-CZ2 4Å; W17-I29 HydrophobicContact CB-CB 4.13Å; W17-I29 HydrophobicContact CB-CD1 4.36Å; W17-I29 WeakPolarHBondContact O-CB 3.25Å; W17-I29 PolarHBondContact O-N 3.32Å; W17-G30 PolarHBondContact N-O 2.91Å; W17-L62 HydrophobicContact CB-CD2 4.03Å; W17-L62 HydrophobicContact CD2-CB 3.44Å; W17-L62 VanDerWaalsContact CD2-CB 3.44Å; W17-L62 HydrophobicContact CD2-CD2 3.83Å; W17-L62 HydrophobicContact CD2-CG 4.22Å; W17-L62 VanDerWaalsContact CE2-CB 3.42Å; W17-L62 HydrophobicContact CE3-CB 3.75Å; W17-L62 HydrophobicContact CE3-CD2 3.7Å; W17-L62 HydrophobicContact CE3-CG 4.38Å; W17-L62 HydrophobicContact CG-CB 3.93Å; W17-L62 HydrophobicContact CG-CD2 3.99Å; W17-L62 HydrophobicContact CG-CG 4.4Å; W17-L62 HydrophobicContact CH2-CB 4.02Å; W17-L62 HydrophobicContact CZ2-CB 3.73Å; W17-L62 HydrophobicContact CZ3-CB 4.02Å; W17-L62 HydrophobicContact CZ3-CD2 4.42Å; W17-Y76 WeakPolarHBondContact CA-O 3.32Å; W17-C77 HydrophobicContact CD2-CB 4.46Å; W17-C77 HydrophobicContact CE3-CB 4.29Å; W17-C77 HydrophobicContact CH2-CB 4.32Å; W17-C77 HydrophobicContact CZ2-CB 4.47Å; W17-C77 HydrophobicContact CZ3-CB 4.23Å
18V97.1Very high92.8Very high3 Ų361.4 Ų61.42%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-138.5138.5-176.3-177.60000108L26 E27 Y75 Y76 F89 W92V18-L26 HydrophobicContact CG1-CB 3.78Å; V18-L26 HydrophobicContact CG1-CD2 3.75Å; V18-L26 HydrophobicContact CG1-CG 4.3Å; V18-E27 CarbonylContact C-O 3.55Å; V18-E27 WeakPolarHBondContact CA-O 3.41Å; V18-E27 WeakPolarHBondContact CG1-O 3.47Å; V18-Y75 WeakPolarHBondContact O-CA 3.39Å; V18-Y76 PolarHBondContact N-O 2.9Å; V18-Y76 PolarHBondContact O-N 2.85Å; V18-F89 HydrophobicContact CG2-CE2 4.4Å; V18-W92 HydrophobicContact CB-CH2 4.13Å; V18-W92 HydrophobicContact CB-CZ3 3.81Å; V18-W92 HydrophobicContact CG1-CH2 4.03Å; V18-W92 HydrophobicContact CG1-CZ3 3.98Å; V18-W92 HydrophobicContact CG2-CH2 3.86Å; V18-W92 HydrophobicContact CG2-CZ3 3.91Å
19K95.6Very high93.1Very high2 Ų259.3 Ų59.31%0.00930%0.298CS..EExtended strand (participates in β ladder)trans-111.7153.1169.473.3175.1-150.6176.50111.7R21 E27 I29 F45 D71 A73 V74 Y75K19-R21 VanDerWaalsContact NZ-NH2 3.16Å; K19-E27 WeakPolarHBondContact CE-OE2 3.46Å; K19-E27 HydrophobicContact CG-CB 3.94Å; K19-E27 PolarHBondContact N-O 3.02Å; K19-E27 IonicContact NZ-OE2 3.8Å; K19-E27 PolarHBondContact O-N 3.1Å; K19-I29 HydrophobicContact CB-CD1 4.1Å; K19-I29 HydrophobicContact CG-CD1 4.44Å; K19-I29 HydrophobicContact CG-CG1 4.49Å; K19-F45 HydrophobicContact CD-CE1 3.72Å; K19-F45 HydrophobicContact CD-CZ 3.8Å; K19-F45 HydrophobicContact CG-CZ 4.2Å; K19-D71 IonicContact NZ-OD1 3.72Å; K19-A73 HydrophobicContact CB-CB 4.06Å; K19-A73 HydrophobicContact CD-CB 4.34Å; K19-V74 CarbonylContact C-O 3.52Å; K19-V74 WeakPolarHBondContact CA-O 2.97Å; K19-Y75 HydrophobicContact CB-CD1 3.91Å; K19-Y75 HydrophobicContact CB-CE1 3.85Å; K19-Y75 HydrophobicContact CB-CE2 4.48Å; K19-Y75 HydrophobicContact CB-CG 4.29Å; K19-Y75 HydrophobicContact CD-CE1 4.26Å
20Q95.8Very high93.2Very high73 Ų7355.7 Ų55.734%0.34128%0.279SS..EExtended strand (participates in β ladder)trans-132.7119.2175.6-171.4-177.824.800109.1L26 A73 V74 Y76Q20-L26 HydrophobicContact CB-CD2 3.98Å; Q20-L26 HydrophobicContact CG-CD2 4.24Å; Q20-A73 WeakPolarHBondContact O-CA 3.37Å; Q20-A73 VanDerWaalsContact O-CB 3.27Å; Q20-A73 WeakPolarHBondContact O-CB 3.28Å; Q20-V74 PolarHBondContact N-O 3.41Å; Q20-V74 PolarHBondContact O-N 2.81Å; Q20-Y76 HydrophobicContact CB-CE2 3.74Å; Q20-Y76 PolarHBondContact OE1-OH 3.45Å
21R92.1Very high93.3Very high49 Ų4957.8 Ų57.819%0.18529%0.287CS..  trans-85.5151.1170.5-54.9-165.2178.6126.9-13.2110K19 E23 Q24 E27 E70 A73K19-R21 VanDerWaalsContact NZ-NH2 3.16Å; R21-E23 PolarHBondContact O-N 2.96Å; R21-Q24 HydrophobicContact CB-CB 4.03Å; R21-Q24 HydrophobicContact CB-CG 4.32Å; R21-Q24 VanDerWaalsContact CD-OE1 3.27Å; R21-Q24 PolarHBondContact O-N 2.85Å; R21-Q24 VanDerWaalsContact O-N 3.11Å; R21-Q24 VanDerWaalsContact O-O 3.11Å; R21-E27 IonicContact CZ-OE2 3.94Å; R21-E27 IonicContact NH1-OE2 3.78Å; R21-E70 PolarHBondContact NE-O 3.21Å; R21-E70 PolarHBondContact NH2-O 2.9Å; R21-A73 HydrophobicContact CG-CB 4.25Å
22P79.9Confident93.4Very high110 Ų11053.8 Ų53.871%0.71427%0.27SS*.THydrogen-bonded Turntrans-51.6127163.3-19.931.8000108.3Q24P22-Q24 VanDerWaalsContact C-N 3.28Å; P22-Q24 PolarHBondContact O-N 2.9Å
23E82.3Confident93.6Very high208 Ų20849.5 Ų49.597%0.97225%0.247SC*.THydrogen-bonded Turntrans73.1-2.3-179.8-47179.7178.200117.3R21R21-E23 PolarHBondContact O-N 2.96Å
24Q82.6Confident93.8Very high97 Ų9746.3 Ų46.345%0.45324%0.235SC..SBendtrans-112.8155.6171-60-179.7-800111.5R21 P22R21-Q24 HydrophobicContact CB-CB 4.03Å; R21-Q24 HydrophobicContact CB-CG 4.32Å; R21-Q24 VanDerWaalsContact CD-OE1 3.27Å; R21-Q24 PolarHBondContact O-N 2.85Å; R21-Q24 VanDerWaalsContact O-N 3.11Å; R21-Q24 VanDerWaalsContact O-O 3.11Å; P22-Q24 VanDerWaalsContact C-N 3.28Å; P22-Q24 PolarHBondContact O-N 2.9Å
25G88.4Confident93.9Very high54 Ų5445 Ų4556%0.55724%0.241SC*.  trans-65.8-178.3174.900000113.1E27G25-E27 PolarHBondContact O-N 3.2Å
26L93.7Very high93.9Very high95 Ų9550.1 Ų50.150%0.49727%0.268SS..EExtended strand (participates in β ladder)trans-70.3126.9173.5-66.8167.4000110.1V18 Q20 Y76 W92V18-L26 HydrophobicContact CG1-CB 3.78Å; V18-L26 HydrophobicContact CG1-CD2 3.75Å; V18-L26 HydrophobicContact CG1-CG 4.3Å; Q20-L26 HydrophobicContact CB-CD2 3.98Å; Q20-L26 HydrophobicContact CG-CD2 4.24Å; L26-Y76 HydrophobicContact CD2-CE2 4.49Å; L26-W92 HydrophobicContact CD1-CH2 3.86Å; L26-W92 HydrophobicContact CD1-CZ2 4.32Å; L26-W92 HydrophobicContact CD2-CH2 4.36Å; L26-W92 HydrophobicContact CD2-CZ3 4.29Å
27E95.4Very high93.9Very high38 Ų3851.9 Ų51.918%0.17829%0.288CS..EExtended strand (participates in β ladder)trans-108.3116.8172.6-65.1-17197.800109.4V18 K19 R21 G25 K44 F45V18-E27 CarbonylContact C-O 3.55Å; V18-E27 WeakPolarHBondContact CA-O 3.41Å; V18-E27 WeakPolarHBondContact CG1-O 3.47Å; K19-E27 WeakPolarHBondContact CE-OE2 3.46Å; K19-E27 HydrophobicContact CG-CB 3.94Å; K19-E27 PolarHBondContact N-O 3.02Å; K19-E27 IonicContact NZ-OE2 3.8Å; K19-E27 PolarHBondContact O-N 3.1Å; R21-E27 IonicContact CZ-OE2 3.94Å; R21-E27 IonicContact NH1-OE2 3.78Å; G25-E27 PolarHBondContact O-N 3.2Å; E27-K44 IonicContact OE1-NZ 3.65Å; E27-F45 HydrophobicContact CB-CE2 4.38Å; E27-F45 HydrophobicContact CB-CZ 4.27Å
28W95.8Very high93.8Very high67 Ų6758.5 Ų58.525%0.25431%0.314SS..EExtended strand (participates in β ladder)trans-74.1128.1176.5179.477.2000110.2N16 G30 W31 K40 D42N16-W28 PolarHBondContact OD1-NE1 3.25Å; W28-G30 PolarHBondContact NE1-O 3.33Å; W28-W31 HydrophobicContact CZ2-CB 4.21Å; W28-W31 AromaticContact CZ2-CD1 3.25Å; W28-W31 AromaticContact CZ2-CG 3.96Å; W28-W31 HydrophobicContact CZ2-CG 3.96Å; W28-K40 HydrophobicContact CH2-CB 4.33Å; W28-K40 HydrophobicContact CH2-CD 4.35Å; W28-K40 HydrophobicContact CH2-CG 4.1Å; W28-D42 HydrophobicContact CE3-CB 3.84Å; W28-D42 HydrophobicContact CZ3-CB 3.97Å; W28-D42 VanDerWaalsContact O-CB 3.31Å; W28-D42 WeakPolarHBondContact O-CB 3.39Å
29I97.3Very high93.9Very high0 Ų060.3 Ų60.30%033%0.325CS..EExtended strand (participates in β ladder)trans-91.6-46.9-177.8-62.9174.3000110.4W17 K19 Y41 D42 F45 A49 L62 Y75W17-I29 HydrophobicContact CB-CB 4.13Å; W17-I29 HydrophobicContact CB-CD1 4.36Å; W17-I29 WeakPolarHBondContact O-CB 3.25Å; W17-I29 PolarHBondContact O-N 3.32Å; K19-I29 HydrophobicContact CB-CD1 4.1Å; K19-I29 HydrophobicContact CG-CD1 4.44Å; K19-I29 HydrophobicContact CG-CG1 4.49Å; I29-Y41 WeakPolarHBondContact O-CA 3.42Å; I29-D42 PolarHBondContact O-N 3.44Å; I29-F45 HydrophobicContact CB-CD2 4.35Å; I29-F45 HydrophobicContact CB-CG 4.33Å; I29-F45 HydrophobicContact CG1-CD1 4.26Å; I29-F45 HydrophobicContact CG1-CD2 4.24Å; I29-F45 HydrophobicContact CG1-CE1 4.29Å; I29-F45 HydrophobicContact CG1-CE2 4.25Å; I29-F45 HydrophobicContact CG1-CG 4.23Å; I29-F45 HydrophobicContact CG1-CZ 4.28Å; I29-F45 HydrophobicContact CG2-CB 3.84Å; I29-F45 HydrophobicContact CG2-CD1 4.41Å; I29-F45 HydrophobicContact CG2-CD2 4.45Å; I29-F45 HydrophobicContact CG2-CG 3.99Å; I29-A49 HydrophobicContact CG2-CB 3.77Å; I29-L62 HydrophobicContact CD1-CD2 3.78Å; I29-L62 HydrophobicContact CG2-CD1 4.26Å; I29-Y75 HydrophobicContact CD1-CD1 3.68Å; I29-Y75 HydrophobicContact CD1-CE1 3.63Å
30G97.4Very high94Very high0 Ų065.6 Ų65.60%035%0.348CS..EExtended strand (participates in β ladder)trans167.8174.2-169.800000112.9N16 W17 W28 K40 I51N16-G30 WeakPolarHBondContact CA-O 3.36Å; W17-G30 PolarHBondContact N-O 2.91Å; W28-G30 PolarHBondContact NE1-O 3.33Å; G30-K40 CarbonylContact C-O 3.54Å; G30-K40 WeakPolarHBondContact CA-O 3.31Å; G30-I51 VanDerWaalsContact C-CD1 3.48Å
31W97.4Very high94.1Very high44 Ų4464.2 Ų64.217%0.16734%0.34CS..EExtended strand (participates in β ladder)trans-141158.9171.564.1-113.5000112.3Y14 M15 N16 W28 D33 Y38 T39 K40Y14-W31 HydrophobicContact CD1-CE3 4.09Å; Y14-W31 AromaticContact CD1-CZ3 3.92Å; Y14-W31 HydrophobicContact CD1-CZ3 3.92Å; Y14-W31 HydrophobicContact CE1-CH2 4.42Å; Y14-W31 HydrophobicContact CE1-CZ3 4.07Å; Y14-W31 HydrophobicContact CG-CE3 4.11Å; Y14-W31 HydrophobicContact CG-CZ3 4.27Å; M15-W31 CarbonylContact O-C 3.55Å; M15-W31 WeakPolarHBondContact O-CA 3.27Å; M15-W31 WeakPolarHBondContact O-CB 3.48Å; N16-W31 HydrophobicContact CB-CB 4.34Å; N16-W31 WeakPolarHBondContact OD1-CB 3.49Å; W28-W31 HydrophobicContact CZ2-CB 4.21Å; W28-W31 AromaticContact CZ2-CD1 3.25Å; W28-W31 AromaticContact CZ2-CG 3.96Å; W28-W31 HydrophobicContact CZ2-CG 3.96Å; W31-D33 HydrophobicContact CZ3-CB 3.85Å; W31-Y38 AromaticContact CH2-CD1 3.48Å; W31-Y38 HydrophobicContact CH2-CD1 3.48Å; W31-Y38 VanDerWaalsContact CH2-CD1 3.48Å; W31-Y38 AromaticContact CH2-CE1 3.77Å; W31-Y38 HydrophobicContact CH2-CE1 3.77Å; W31-Y38 HydrophobicContact CZ2-CD1 4.36Å; W31-Y38 HydrophobicContact CZ2-CE1 4.22Å; W31-Y38 AromaticContact CZ3-CD1 3.81Å; W31-Y38 HydrophobicContact CZ3-CD1 3.81Å; W31-Y38 HydrophobicContact CZ3-CE1 4.46Å; W31-T39 VanDerWaalsContact O-CA 3.27Å; W31-T39 WeakPolarHBondContact O-CA 3.38Å; W31-K40 HydrophobicContact CD2-CB 4.2Å; W31-K40 HydrophobicContact CZ2-CB 3.99Å; W31-K40 HydrophobicContact CZ2-CD 4.44Å; W31-K40 PolarHBondContact N-O 2.86Å; W31-K40 PolarHBondContact O-N 3.04Å
32I97.9Very high94.3Very high7 Ų764 Ų644%0.03634%0.343CS..EExtended strand (participates in β ladder)trans-122.8140.4169.9-174.9164.1000110.7Y14 M15 P34 Y38 T39 I51 A53Y14-I32 CarbonylContact C-O 3.59Å; Y14-I32 WeakPolarHBondContact CA-O 3.41Å; M15-I32 HydrophobicContact CB-CG2 3.96Å; M15-I32 PolarHBondContact N-O 2.89Å; M15-I32 PolarHBondContact O-N 2.86Å; I32-P34 HydrophobicContact CG2-CG 4.39Å; I32-P34 VanDerWaalsContact O-CD 3.3Å; I32-P34 WeakPolarHBondContact O-CD 3.29Å; I32-Y38 CarbonylContact C-O 3.53Å; I32-Y38 WeakPolarHBondContact CA-O 3.45Å; I32-T39 HydrophobicContact CB-CG2 3.86Å; I32-T39 HydrophobicContact CD1-CG2 3.95Å; I32-T39 HydrophobicContact CG1-CG2 3.79Å; I32-I51 HydrophobicContact CB-CG2 3.62Å; I32-I51 HydrophobicContact CG2-CG2 3.51Å; I32-A53 HydrophobicContact CD1-CB 3.96Å; I32-A53 HydrophobicContact CG2-CB 4.36Å
33D97.3Very high95.1Very high20 Ų2063.8 Ų63.811%0.10734%0.341CS..  trans-88.7104.2160.4179.9-9.5000108.5Y14 W31 A35 N36 G37 Y38Y14-D33 HydrophobicContact CD1-CB 3.67Å; Y14-D33 HydrophobicContact CE1-CB 3.62Å; W31-D33 HydrophobicContact CZ3-CB 3.85Å; D33-A35 PolarHBondContact O-N 2.92Å; D33-A35 WeakPolarHBondContact OD1-CB 3.16Å; D33-A35 PolarHBondContact OD1-N 3.31Å; D33-N36 WeakPolarHBondContact CB-OD1 3.22Å; D33-N36 PolarHBondContact O-N 2.85Å; D33-N36 PolarHBondContact OD2-ND2 2.86Å; D33-N36 PolarHBondContact OD2-OD1 3.46Å; D33-G37 VanDerWaalsContact O-CA 3.28Å; D33-G37 WeakPolarHBondContact O-CA 3.37Å; D33-G37 PolarHBondContact O-N 2.91Å; D33-Y38 PolarHBondContact N-O 3.21Å
34P97.3Very high95.6Very high10 Ų1060.8 Ų60.87%0.06533%0.325CS..THydrogen-bonded Turntrans-67.9-14.6-177.6-21.337.8000113.1I10 Y13 M15 I32 A53 T55I10-P34 HydrophobicContact CG1-CB 4.36Å; I10-P34 HydrophobicContact CG1-CG 3.93Å; I10-P34 HydrophobicContact CG2-CB 4.23Å; I10-P34 VanDerWaalsContact O-CG 3.27Å; I10-P34 WeakPolarHBondContact O-CG 3.35Å; Y13-P34 WeakPolarHBondContact O-CD 3.5Å; M15-P34 HydrophobicContact CG-CG 4.02Å; I32-P34 HydrophobicContact CG2-CG 4.39Å; I32-P34 VanDerWaalsContact O-CD 3.3Å; I32-P34 WeakPolarHBondContact O-CD 3.29Å; P34-A53 HydrophobicContact CB-CB 3.85Å; P34-A53 HydrophobicContact CG-CB 4.12Å; P34-T55 HydrophobicContact CB-CG2 4.17Å; P34-T55 VanDerWaalsContact O-CG2 3.27Å; P34-T55 WeakPolarHBondContact O-CG2 3.4Å
35A96.6Very high96.2Very high53 Ų5356.6 Ų56.644%0.43831%0.305SS..THydrogen-bonded Turntrans-71.4-35.2178.600000112.8D33D33-A35 PolarHBondContact O-N 2.92Å; D33-A35 WeakPolarHBondContact OD1-CB 3.16Å; D33-A35 PolarHBondContact OD1-N 3.31Å
36N96.7Very high96.5Very high110 Ų11060.1 Ų60.159%0.58831%0.308SS*.THydrogen-bonded Turntrans-130-3.8-175.659.337.5000114.1D33 Y38D33-N36 WeakPolarHBondContact CB-OD1 3.22Å; D33-N36 PolarHBondContact O-N 2.85Å; D33-N36 PolarHBondContact OD2-ND2 2.86Å; D33-N36 PolarHBondContact OD2-OD1 3.46Å; N36-Y38 VanDerWaalsContact C-N 3.29Å; N36-Y38 PolarHBondContact O-N 3.16Å; N36-Y38 WeakPolarHBondContact OD1-CB 3.5Å; N36-Y38 PolarHBondContact OD1-N 3.16Å
37G96.5Very high96.5Very high44 Ų4460.1 Ų60.145%0.45432%0.321SS..  trans77.86.4178.900000114.8D33D33-G37 VanDerWaalsContact O-CA 3.28Å; D33-G37 WeakPolarHBondContact O-CA 3.37Å; D33-G37 PolarHBondContact O-N 2.91Å
38Y97.4Very high96.5Very high144 Ų14460.9 Ų60.957%0.56532%0.324SS*.  trans-66.2137.2178.5-176.3-98.7000110.8W31 I32 D33 N36W31-Y38 AromaticContact CH2-CD1 3.48Å; W31-Y38 HydrophobicContact CH2-CD1 3.48Å; W31-Y38 VanDerWaalsContact CH2-CD1 3.48Å; W31-Y38 AromaticContact CH2-CE1 3.77Å; W31-Y38 HydrophobicContact CH2-CE1 3.77Å; W31-Y38 HydrophobicContact CZ2-CD1 4.36Å; W31-Y38 HydrophobicContact CZ2-CE1 4.22Å; W31-Y38 AromaticContact CZ3-CD1 3.81Å; W31-Y38 HydrophobicContact CZ3-CD1 3.81Å; W31-Y38 HydrophobicContact CZ3-CE1 4.46Å; I32-Y38 CarbonylContact C-O 3.53Å; I32-Y38 WeakPolarHBondContact CA-O 3.45Å; D33-Y38 PolarHBondContact N-O 3.21Å; N36-Y38 VanDerWaalsContact C-N 3.29Å; N36-Y38 PolarHBondContact O-N 3.16Å; N36-Y38 WeakPolarHBondContact OD1-CB 3.5Å; N36-Y38 PolarHBondContact OD1-N 3.16Å
39T98.1Very high96.6Very high41 Ų4157.9 Ų57.925%0.25231%0.314SS..EExtended strand (participates in β ladder)trans-127146.6-178.351.30000111.5W31 I32 Y41 I51W31-T39 VanDerWaalsContact O-CA 3.27Å; W31-T39 WeakPolarHBondContact O-CA 3.38Å; I32-T39 HydrophobicContact CB-CG2 3.86Å; I32-T39 HydrophobicContact CD1-CG2 3.95Å; I32-T39 HydrophobicContact CG1-CG2 3.79Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.45Å; T39-I51 HydrophobicContact CG2-CB 4.37Å
40K97.4Very high96.7Very high113 Ų11361.1 Ų61.149%0.49133%0.333SS..EExtended strand (participates in β ladder)trans-129.7139.4169.5-169-179.8179.6178.50108.9W28 G30 W31W28-K40 HydrophobicContact CH2-CB 4.33Å; W28-K40 HydrophobicContact CH2-CD 4.35Å; W28-K40 HydrophobicContact CH2-CG 4.1Å; G30-K40 CarbonylContact C-O 3.54Å; G30-K40 WeakPolarHBondContact CA-O 3.31Å; W31-K40 HydrophobicContact CD2-CB 4.2Å; W31-K40 HydrophobicContact CZ2-CB 3.99Å; W31-K40 HydrophobicContact CZ2-CD 4.44Å; W31-K40 PolarHBondContact N-O 2.86Å; W31-K40 PolarHBondContact O-N 3.04Å
41Y98Very high96.7Very high44 Ų4461.3 Ų61.317%0.17333%0.334CS..EExtended strand (participates in β ladder)trans-121153.8-179.9-59.5-89.7000110.3I29 T39 A49 I51I29-Y41 WeakPolarHBondContact O-CA 3.42Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.45Å; Y41-A49 HydrophobicContact CD1-CB 4.2Å; Y41-A49 HydrophobicContact CE1-CB 4.17Å; Y41-A49 VanDerWaalsContact CE1-O 3.26Å; Y41-A49 WeakPolarHBondContact CE1-O 3.35Å; Y41-I51 HydrophobicContact CD1-CD1 4.12Å; Y41-I51 HydrophobicContact CE1-CB 4.3Å; Y41-I51 HydrophobicContact CE1-CD1 3.73Å; Y41-I51 HydrophobicContact CE1-CG1 3.8Å; Y41-I51 PolarHBondContact OH-N 2.87Å; Y41-I51 VanDerWaalsContact OH-N 3.08Å
42D96.8Very high96.8Very high44 Ų4462.6 Ų62.624%0.23535%0.347CS..  trans-72134.9156.4-179.9-59.3000108.4W28 I29 K44 F45 Q46W28-D42 HydrophobicContact CE3-CB 3.84Å; W28-D42 HydrophobicContact CZ3-CB 3.97Å; W28-D42 VanDerWaalsContact O-CB 3.31Å; W28-D42 WeakPolarHBondContact O-CB 3.39Å; I29-D42 PolarHBondContact O-N 3.44Å; D42-K44 PolarHBondContact O-N 3.04Å; D42-K44 VanDerWaalsContact OD1-CB 3.27Å; D42-K44 WeakPolarHBondContact OD1-CB 3.48Å; D42-K44 WeakPolarHBondContact OD1-CG 2.99Å; D42-K44 PolarHBondContact OD1-N 2.92Å; D42-F45 HydrophobicContact CB-CD2 4.05Å; D42-F45 PolarHBondContact O-N 2.78Å; D42-Q46 PolarHBondContact O-N 2.78Å
43P96.5Very high96.8Very high106 Ų10663.8 Ų63.869%0.68836%0.358SS*.THydrogen-bonded Turntrans-51.6-30.4-178.2-29.135.8000114.6F45P43-F45 PolarHBondContact O-N 3.23Å
44K93.4Very high96.8Very high146 Ų14665.4 Ų65.464%0.63537%0.367SS*.THydrogen-bonded Turntrans-62.4-29.8177.1-66.6174.5176.6177.80113.1E27 D42E27-K44 IonicContact OE1-NZ 3.65Å; D42-K44 PolarHBondContact O-N 3.04Å; D42-K44 VanDerWaalsContact OD1-CB 3.27Å; D42-K44 WeakPolarHBondContact OD1-CB 3.48Å; D42-K44 WeakPolarHBondContact OD1-CG 2.99Å; D42-K44 PolarHBondContact OD1-N 2.92Å
45F95.2Very high96.8Very high8 Ų867.7 Ų67.74%0.03538%0.38CS..THydrogen-bonded Turntrans-107.5-12.1-174.2-61.2-79.1000113.4K19 E27 I29 D42 P43 A47 K48 A49 M64K19-F45 HydrophobicContact CD-CE1 3.72Å; K19-F45 HydrophobicContact CD-CZ 3.8Å; K19-F45 HydrophobicContact CG-CZ 4.2Å; E27-F45 HydrophobicContact CB-CE2 4.38Å; E27-F45 HydrophobicContact CB-CZ 4.27Å; I29-F45 HydrophobicContact CB-CD2 4.35Å; I29-F45 HydrophobicContact CB-CG 4.33Å; I29-F45 HydrophobicContact CG1-CD1 4.26Å; I29-F45 HydrophobicContact CG1-CD2 4.24Å; I29-F45 HydrophobicContact CG1-CE1 4.29Å; I29-F45 HydrophobicContact CG1-CE2 4.25Å; I29-F45 HydrophobicContact CG1-CG 4.23Å; I29-F45 HydrophobicContact CG1-CZ 4.28Å; I29-F45 HydrophobicContact CG2-CB 3.84Å; I29-F45 HydrophobicContact CG2-CD1 4.41Å; I29-F45 HydrophobicContact CG2-CD2 4.45Å; I29-F45 HydrophobicContact CG2-CG 3.99Å; D42-F45 HydrophobicContact CB-CD2 4.05Å; D42-F45 PolarHBondContact O-N 2.78Å; P43-F45 PolarHBondContact O-N 3.23Å; F45-A47 PolarHBondContact O-N 3.01Å; F45-A47 VanDerWaalsContact O-N 3.08Å; F45-K48 PolarHBondContact O-N 3.45Å; F45-A49 HydrophobicContact CB-CB 4.14Å; F45-A49 WeakPolarHBondContact O-CB 3.39Å; F45-A49 PolarHBondContact O-N 2.91Å; F45-M64 HydrophobicContact CD1-CE 4.31Å
46Q94.6Very high96.8Very high129 Ų12970.3 Ų70.360%0.60340%0.396SS*.THydrogen-bonded Turntrans-55.6-31.9-174.1-172.6172.8-1.200114.1D42D42-Q46 PolarHBondContact O-N 2.78Å
47A94.6Very high96.9Very high95 Ų9567 Ų6779%0.78538%0.381SS*.THydrogen-bonded Turntrans-83.6-14.6177.900000114.2F45F45-A47 PolarHBondContact O-N 3.01Å; F45-A47 VanDerWaalsContact O-N 3.08Å
48K95.4Very high96.9Very high53 Ų5366.3 Ų66.323%0.2337%0.367CS..THydrogen-bonded Turntrans-114.3-25.2-173.3-65-172.3176-1730113.7F45 M64 S65 D71F45-K48 PolarHBondContact O-N 3.45Å; K48-M64 HydrophobicContact CB-CE 4.16Å; K48-M64 CarbonylContact O-C 3.57Å; K48-M64 VanDerWaalsContact O-CA 3.31Å; K48-M64 WeakPolarHBondContact O-CA 3.27Å; K48-S65 PolarHBondContact O-N 2.86Å; K48-S65 PolarHBondContact O-OG 2.86Å; K48-D71 IonicContact NZ-OD1 3.55Å; K48-D71 IonicContact NZ-OD2 2.92Å; K48-D71 PolarHBondContact NZ-OD2 2.85Å
49A97.3Very high97Very high5 Ų560 Ų604%0.04134%0.343CS..EExtended strand (participates in β ladder)trans-107.5132.9-171.600000111.4I29 Y41 F45 L62 Q63 M64I29-A49 HydrophobicContact CG2-CB 3.77Å; Y41-A49 HydrophobicContact CD1-CB 4.2Å; Y41-A49 HydrophobicContact CE1-CB 4.17Å; Y41-A49 VanDerWaalsContact CE1-O 3.26Å; Y41-A49 WeakPolarHBondContact CE1-O 3.35Å; F45-A49 HydrophobicContact CB-CB 4.14Å; F45-A49 WeakPolarHBondContact O-CB 3.39Å; F45-A49 PolarHBondContact O-N 2.91Å; A49-L62 HydrophobicContact CB-CD1 3.89Å; A49-Q63 WeakPolarHBondContact CA-O 3.44Å; A49-M64 HydrophobicContact CB-SD 3.77Å
50T98.3Very high97Very high67 Ų6758 Ų5841%0.41133%0.331SS..EExtended strand (participates in β ladder)trans-120.8119.4166.6-57.50000108.1T52 Q63T50-T52 HydrophobicContact CG2-CG2 4.17Å; T50-Q63 PolarHBondContact N-O 2.86Å; T50-Q63 PolarHBondContact O-N 2.86Å
51I98.5Very high97Very high5 Ų556.5 Ų56.53%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-104.8129.7177.4-58.8165.8000108.9G30 I32 T39 Y41 Y61 L62G30-I51 VanDerWaalsContact C-CD1 3.48Å; I32-I51 HydrophobicContact CB-CG2 3.62Å; I32-I51 HydrophobicContact CG2-CG2 3.51Å; T39-I51 HydrophobicContact CG2-CB 4.37Å; Y41-I51 HydrophobicContact CD1-CD1 4.12Å; Y41-I51 HydrophobicContact CE1-CB 4.3Å; Y41-I51 HydrophobicContact CE1-CD1 3.73Å; Y41-I51 HydrophobicContact CE1-CG1 3.8Å; Y41-I51 PolarHBondContact OH-N 2.87Å; Y41-I51 VanDerWaalsContact OH-N 3.08Å; I51-Y61 WeakPolarHBondContact CA-O 3.31Å; I51-L62 HydrophobicContact CG1-CD1 3.85Å
52T98.4Very high97Very high70 Ų7054.6 Ų54.643%0.42932%0.316SS..EExtended strand (participates in β ladder)trans-135.3169.4175.764.10000110.6T50 Y61T50-T52 HydrophobicContact CG2-CG2 4.17Å; T52-Y61 PolarHBondContact N-O 2.97Å; T52-Y61 PolarHBondContact O-N 2.88Å
53A98.2Very high97.1Very high32 Ų3258.8 Ų58.826%0.26433%0.334SS..EExtended strand (participates in β ladder)trans-145144.4174.100000110.5I32 P34 T59I32-A53 HydrophobicContact CD1-CB 3.96Å; I32-A53 HydrophobicContact CG2-CB 4.36Å; P34-A53 HydrophobicContact CB-CB 3.85Å; P34-A53 HydrophobicContact CG-CB 4.12Å; A53-T59 CarbonylContact C-O 3.48Å; A53-T59 WeakPolarHBondContact CA-O 3.21Å
54D97.9Very high97.1Very high55 Ų5555.1 Ų55.129%0.29431%0.308SS..EExtended strand (participates in β ladder)trans-113109.3168.7173.612.1000108.6S56 S57 N58 T59 Y61D54-S56 VanDerWaalsContact C-N 3.28Å; D54-S56 VanDerWaalsContact CG-OG 3.31Å; D54-S56 PolarHBondContact O-N 2.86Å; D54-S56 WeakPolarHBondContact OD1-CB 3.22Å; D54-S56 PolarHBondContact OD1-N 2.93Å; D54-S56 PolarHBondContact OD1-OG 3.17Å; D54-S56 PolarHBondContact OD2-OG 3.03Å; D54-S57 WeakPolarHBondContact CB-OG 3.43Å; D54-S57 PolarHBondContact OD1-N 2.88Å; D54-S57 VanDerWaalsContact OD2-CB 3.23Å; D54-S57 WeakPolarHBondContact OD2-CB 2.99Å; D54-S57 PolarHBondContact OD2-OG 3.08Å; D54-N58 PolarHBondContact O-N 3.2Å; D54-N58 VanDerWaalsContact O-N 3.09Å; D54-T59 PolarHBondContact N-O 2.02Å; D54-T59 PolarHBondContact O-N 2.84Å; D54-Y61 HydrophobicContact CB-CE2 3.92Å
55T97.4Very high97.1Very high57 Ų5750.8 Ų50.835%0.3530%0.296SS..THydrogen-bonded Turntrans-74.7-21-178.162.20000112.5I10 K11 P34I10-T55 HydrophobicContact CG2-CG2 4.39Å; K11-T55 HydrophobicContact CD-CG2 3.78Å; K11-T55 HydrophobicContact CG-CG2 3.43Å; K11-T55 VanDerWaalsContact CG-CG2 3.43Å; P34-T55 HydrophobicContact CB-CG2 4.17Å; P34-T55 VanDerWaalsContact O-CG2 3.27Å; P34-T55 WeakPolarHBondContact O-CG2 3.4Å
56S97Very high97Very high109 Ų10955.2 Ų55.276%0.76233%0.328SS*.THydrogen-bonded Turntrans-73.2-38.3177.9740000111.6D54D54-S56 VanDerWaalsContact C-N 3.28Å; D54-S56 VanDerWaalsContact CG-OG 3.31Å; D54-S56 PolarHBondContact O-N 2.86Å; D54-S56 WeakPolarHBondContact OD1-CB 3.22Å; D54-S56 PolarHBondContact OD1-N 2.93Å; D54-S56 PolarHBondContact OD1-OG 3.17Å; D54-S56 PolarHBondContact OD2-OG 3.03Å
57S97.7Very high97Very high39 Ų3952 Ų5227%0.27331%0.314SS..THydrogen-bonded Turntrans-94.21.4176.466.80000114D54 T59D54-S57 WeakPolarHBondContact CB-OG 3.43Å; D54-S57 PolarHBondContact OD1-N 2.88Å; D54-S57 VanDerWaalsContact OD2-CB 3.23Å; D54-S57 WeakPolarHBondContact OD2-CB 2.99Å; D54-S57 PolarHBondContact OD2-OG 3.08Å; S57-T59 VanDerWaalsContact C-N 3.3Å; S57-T59 PolarHBondContact O-N 2.82Å; S57-T59 PolarHBondContact O-OG1 2.86Å
58N97.4Very high96.9Very high31 Ų3150.2 Ų50.217%0.16629%0.294CS..THydrogen-bonded Turntrans5739.9-178.5-149.744.5000112.8A5 F8 I10 D54A5-N58 VanDerWaalsContact CB-ND2 3.34Å; A5-N58 WeakPolarHBondContact CB-ND2 3.43Å; A5-N58 PolarHBondContact N-O 3.11Å; A5-N58 PolarHBondContact O-ND2 3.35Å; F8-N58 PolarHBondContact O-ND2 2.74Å; I10-N58 WeakPolarHBondContact CB-OD1 2.85Å; I10-N58 VanDerWaalsContact CG2-OD1 3.26Å; I10-N58 WeakPolarHBondContact CG2-OD1 3.44Å; I10-N58 PolarHBondContact N-OD1 2.86Å; D54-N58 PolarHBondContact O-N 3.2Å; D54-N58 VanDerWaalsContact O-N 3.09Å
59T98.3Very high96.8Very high10 Ų1051.2 Ų51.26%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-129.8131.4-169.3-57.10000112.1C3 A53 D54 S57 Y61C3-T59 CarbonylContact O-C 3.4Å; C3-T59 WeakPolarHBondContact O-CA 2.92Å; A53-T59 CarbonylContact C-O 3.48Å; A53-T59 WeakPolarHBondContact CA-O 3.21Å; D54-T59 PolarHBondContact N-O 2.02Å; D54-T59 PolarHBondContact O-N 2.84Å; S57-T59 VanDerWaalsContact C-N 3.3Å; S57-T59 PolarHBondContact O-N 2.82Å; S57-T59 PolarHBondContact O-OG1 2.86Å; T59-Y61 HydrophobicContact CG2-CD1 4.31Å; T59-Y61 HydrophobicContact CG2-CD2 4.47Å; T59-Y61 HydrophobicContact CG2-CE1 3.67Å; T59-Y61 HydrophobicContact CG2-CE2 3.84Å; T59-Y61 VanDerWaalsContact CG2-CZ 3.4Å; T59-Y61 WeakPolarHBondContact O-CE2 3.42Å
60A98.2Very high96.5Very high0 Ų057.3 Ų57.30%034%0.335CS..EExtended strand (participates in β ladder)trans-97.5151.2168.500000110.6S2 C3 I10 M15S2-A60 CarbonylContact C-O 3.59Å; S2-A60 WeakPolarHBondContact CA-O 3.34Å; C3-A60 PolarHBondContact N-O 2.76Å; C3-A60 PolarHBondContact O-N 2.84Å; I10-A60 HydrophobicContact CD1-CB 4.02Å; M15-A60 HydrophobicContact CB-CB 3.87Å; M15-A60 HydrophobicContact CG-CB 4.12Å
61Y98.5Very high96.2Very high82 Ų8254.3 Ų54.332%0.32232%0.317SS..EExtended strand (participates in β ladder)trans-129.8144.8-178.8-55.2-88.9000111L1 I51 T52 D54 T59L1-Y61 VanDerWaalsContact O-CA 3.32Å; L1-Y61 WeakPolarHBondContact O-CA 3.16Å; I51-Y61 WeakPolarHBondContact CA-O 3.31Å; T52-Y61 PolarHBondContact N-O 2.97Å; T52-Y61 PolarHBondContact O-N 2.88Å; D54-Y61 HydrophobicContact CB-CE2 3.92Å; T59-Y61 HydrophobicContact CG2-CD1 4.31Å; T59-Y61 HydrophobicContact CG2-CD2 4.47Å; T59-Y61 HydrophobicContact CG2-CE1 3.67Å; T59-Y61 HydrophobicContact CG2-CE2 3.84Å; T59-Y61 VanDerWaalsContact CG2-CZ 3.4Å; T59-Y61 WeakPolarHBondContact O-CE2 3.42Å
62L98.4Very high96Very high3 Ų355.6 Ų55.62%0.01633%0.326CS..EExtended strand (participates in β ladder)trans-123.5117.7167.3169.966.7000108.1L1 W17 I29 A49 I51 M64 Y75L1-L62 HydrophobicContact CB-CB 4.34Å; L1-L62 HydrophobicContact CD1-CD2 4.05Å; L1-L62 PolarHBondContact N-O 3.2Å; L1-L62 PolarHBondContact O-N 3.26Å; W17-L62 HydrophobicContact CB-CD2 4.03Å; W17-L62 HydrophobicContact CD2-CB 3.44Å; W17-L62 VanDerWaalsContact CD2-CB 3.44Å; W17-L62 HydrophobicContact CD2-CD2 3.83Å; W17-L62 HydrophobicContact CD2-CG 4.22Å; W17-L62 VanDerWaalsContact CE2-CB 3.42Å; W17-L62 HydrophobicContact CE3-CB 3.75Å; W17-L62 HydrophobicContact CE3-CD2 3.7Å; W17-L62 HydrophobicContact CE3-CG 4.38Å; W17-L62 HydrophobicContact CG-CB 3.93Å; W17-L62 HydrophobicContact CG-CD2 3.99Å; W17-L62 HydrophobicContact CG-CG 4.4Å; W17-L62 HydrophobicContact CH2-CB 4.02Å; W17-L62 HydrophobicContact CZ2-CB 3.73Å; W17-L62 HydrophobicContact CZ3-CB 4.02Å; W17-L62 HydrophobicContact CZ3-CD2 4.42Å; I29-L62 HydrophobicContact CD1-CD2 3.78Å; I29-L62 HydrophobicContact CG2-CD1 4.26Å; A49-L62 HydrophobicContact CB-CD1 3.89Å; I51-L62 HydrophobicContact CG1-CD1 3.85Å; L62-M64 HydrophobicContact CD1-CG 4.42Å; L62-M64 HydrophobicContact CD1-SD 3.87Å; L62-M64 HydrophobicContact CD2-CG 4.29Å; L62-M64 HydrophobicContact CD2-SD 4.16Å; L62-M64 HydrophobicContact CG-CG 4.13Å; L62-M64 HydrophobicContact CG-SD 4.14Å; L62-Y75 HydrophobicContact CD2-CD1 3.93Å; L62-Y75 HydrophobicContact CD2-CE1 4.33Å
63Q97.9Very high95.9Very high132 Ų13252.5 Ų52.562%0.61731%0.307SS*.EExtended strand (participates in β ladder)trans-101.3129.1169-1781752.300108.6A49 T50A49-Q63 WeakPolarHBondContact CA-O 3.44Å; T50-Q63 PolarHBondContact N-O 2.86Å; T50-Q63 PolarHBondContact O-N 2.86Å
64M95.8Very high95.9Very high30 Ų3052.7 Ų52.715%0.14831%0.305CS..EExtended strand (participates in β ladder)trans-112.8133.7174.7-63.7-68.2-63.800109.1F45 K48 A49 L62 L67 Y75F45-M64 HydrophobicContact CD1-CE 4.31Å; K48-M64 HydrophobicContact CB-CE 4.16Å; K48-M64 CarbonylContact O-C 3.57Å; K48-M64 VanDerWaalsContact O-CA 3.31Å; K48-M64 WeakPolarHBondContact O-CA 3.27Å; A49-M64 HydrophobicContact CB-SD 3.77Å; L62-M64 HydrophobicContact CD1-CG 4.42Å; L62-M64 HydrophobicContact CD1-SD 3.87Å; L62-M64 HydrophobicContact CD2-CG 4.29Å; L62-M64 HydrophobicContact CD2-SD 4.16Å; L62-M64 HydrophobicContact CG-CG 4.13Å; L62-M64 HydrophobicContact CG-SD 4.14Å; M64-L67 HydrophobicContact CB-CD1 4.32Å; M64-L67 HydrophobicContact CB-CD2 3.67Å; M64-L67 HydrophobicContact CB-CG 4.12Å; M64-L67 HydrophobicContact CE-CD2 4.24Å; M64-L67 HydrophobicContact CG-CD2 4.41Å; M64-Y75 HydrophobicContact CG-CE1 4.42Å
65S94.8Very high95.9Very high54 Ų5450.2 Ų50.238%0.37829%0.292SS..  trans-119.3162.5175.961.30000111.1K48 L67K48-S65 PolarHBondContact O-N 2.86Å; K48-S65 PolarHBondContact O-OG 2.86Å; S65-L67 PolarHBondContact O-N 2.84Å
66S92.8Very high95.9Very high101 Ų10149.6 Ų49.671%0.70628%0.283SS*.SBendtrans49.845.9178.8-57.60000112.9
67L93.5Very high95.9Very high62 Ų6245.1 Ų45.133%0.32525%0.252SS..  trans-67141-179.4-72.5173.1000110.8M64 S65 D71 L98 V100M64-L67 HydrophobicContact CB-CD1 4.32Å; M64-L67 HydrophobicContact CB-CD2 3.67Å; M64-L67 HydrophobicContact CB-CG 4.12Å; M64-L67 HydrophobicContact CE-CD2 4.24Å; M64-L67 HydrophobicContact CG-CD2 4.41Å; S65-L67 PolarHBondContact O-N 2.84Å; L67-D71 HydrophobicContact CD2-CB 3.52Å; L67-L98 HydrophobicContact CD1-CD2 3.96Å; L67-L98 HydrophobicContact CD2-CD2 4.25Å; L67-V100 HydrophobicContact CB-CG1 4.22Å; L67-V100 HydrophobicContact CB-CG2 4.03Å; L67-V100 HydrophobicContact CD1-CG2 4.17Å
68T93.7Very high95.8Very high58 Ų5843.3 Ų43.336%0.35624%0.239SC..  trans-121.2169.6175.259.60000109.8E70 D71 V100T68-E70 PolarHBondContact O-N 3.08Å; T68-E70 VanDerWaalsContact O-N 3.16Å; T68-D71 PolarHBondContact N-OD2 2.86Å; T68-D71 WeakPolarHBondContact O-CB 3.26Å; T68-D71 PolarHBondContact O-N 3.3Å; T68-D71 PolarHBondContact OG1-OD2 2.79Å; T68-V100 WeakPolarHBondContact O-CB 3.44Å; T68-V100 WeakPolarHBondContact O-CG1 3.35Å
69S93.1Very high95.5Very high74 Ų7443.1 Ų43.152%0.51724%0.236SC..G310 helixtrans-56.2-31.417654.40000112.9D71 S72 V100S69-D71 PolarHBondContact O-N 2.99Å; S69-S72 VanDerWaalsContact O-CB 3.28Å; S69-S72 WeakPolarHBondContact O-CB 3.42Å; S69-S72 PolarHBondContact O-N 2.79Å; S69-S72 VanDerWaalsContact O-N 3.1Å; S69-S72 PolarHBondContact O-OG 2.93Å; S69-V100 WeakPolarHBondContact CA-O 3.23Å
70E90Very high94.9Very high133 Ų13343 Ų4362%0.62124%0.236SC*.G310 helixtrans-65.6-17.3173.8-60.6-174.3-179.100113.6R21 T68R21-E70 PolarHBondContact NE-O 3.21Å; R21-E70 PolarHBondContact NH2-O 2.9Å; T68-E70 PolarHBondContact O-N 3.08Å; T68-E70 VanDerWaalsContact O-N 3.16Å
71D92.9Very high94Very high4 Ų444.9 Ų44.92%0.02125%0.245CC..G310 helixtrans-83.1-2.9176-62.1-58.4000112K19 K48 L67 T68 S69 A73 Y75K19-D71 IonicContact NZ-OD1 3.72Å; K48-D71 IonicContact NZ-OD1 3.55Å; K48-D71 IonicContact NZ-OD2 2.92Å; K48-D71 PolarHBondContact NZ-OD2 2.85Å; L67-D71 HydrophobicContact CD2-CB 3.52Å; T68-D71 PolarHBondContact N-OD2 2.86Å; T68-D71 WeakPolarHBondContact O-CB 3.26Å; T68-D71 PolarHBondContact O-N 3.3Å; T68-D71 PolarHBondContact OG1-OD2 2.79Å; S69-D71 PolarHBondContact O-N 2.99Å; D71-A73 PolarHBondContact O-N 3.02Å; D71-Y75 WeakPolarHBondContact O-CE2 3.38Å; D71-Y75 PolarHBondContact O-OH 3.46Å
72S94.9Very high92.7Very high31 Ų3147.8 Ų47.822%0.21726%0.257CS..  trans-63.7118.1173-58.40000111.3S69 L98 V100S69-S72 VanDerWaalsContact O-CB 3.28Å; S69-S72 WeakPolarHBondContact O-CB 3.42Å; S69-S72 PolarHBondContact O-N 2.79Å; S69-S72 VanDerWaalsContact O-N 3.1Å; S69-S72 PolarHBondContact O-OG 2.93Å; S72-L98 CarbonylContact C-O 3.58Å; S72-L98 VanDerWaalsContact CA-O 3.25Å; S72-L98 WeakPolarHBondContact CA-O 3.16Å; S72-V100 PolarHBondContact OG-N 2.87Å; S72-V100 PolarHBondContact OG-O 3.43Å
73A96.2Very high91.2Very high5 Ų555.9 Ų55.94%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-167168.8-17300000111.2K19 Q20 R21 D71 Y75 L98K19-A73 HydrophobicContact CB-CB 4.06Å; K19-A73 HydrophobicContact CD-CB 4.34Å; Q20-A73 WeakPolarHBondContact O-CA 3.37Å; Q20-A73 VanDerWaalsContact O-CB 3.27Å; Q20-A73 WeakPolarHBondContact O-CB 3.28Å; R21-A73 HydrophobicContact CG-CB 4.25Å; D71-A73 PolarHBondContact O-N 3.02Å; A73-Y75 HydrophobicContact CB-CD2 4.21Å; A73-Y75 HydrophobicContact CB-CE2 3.76Å; A73-Y75 WeakPolarHBondContact O-CD2 3.34Å; A73-L98 PolarHBondContact N-O 3.24Å; A73-L98 PolarHBondContact O-N 2.78Å
74V97.3Very high90.3Very high36 Ų3652.1 Ų52.122%0.21829%0.285CS..EExtended strand (participates in β ladder)trans-87.3127.5160.4-171.50000108.4K19 Q20 Y76K19-V74 CarbonylContact C-O 3.52Å; K19-V74 WeakPolarHBondContact CA-O 2.97Å; Q20-V74 PolarHBondContact N-O 3.41Å; Q20-V74 PolarHBondContact O-N 2.81Å; V74-Y76 HydrophobicContact CB-CE2 3.86Å; V74-Y76 HydrophobicContact CG1-CD1 4.48Å; V74-Y76 HydrophobicContact CG1-CD2 4.37Å; V74-Y76 HydrophobicContact CG1-CE1 3.79Å; V74-Y76 HydrophobicContact CG1-CE2 3.67Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.4Å
75Y97.8Very high89.3Confident4 Ų458.8 Ų58.82%0.01632%0.321CS..EExtended strand (participates in β ladder)trans-106.2130.1179-72.4-105000110.3L1 V18 K19 I29 L62 M64 D71 A73 G95 T96 L98L1-Y75 HydrophobicContact CD1-CD1 3.75Å; L1-Y75 HydrophobicContact CD1-CD2 4.27Å; L1-Y75 HydrophobicContact CD1-CG 3.56Å; V18-Y75 WeakPolarHBondContact O-CA 3.39Å; K19-Y75 HydrophobicContact CB-CD1 3.91Å; K19-Y75 HydrophobicContact CB-CE1 3.85Å; K19-Y75 HydrophobicContact CB-CE2 4.48Å; K19-Y75 HydrophobicContact CB-CG 4.29Å; K19-Y75 HydrophobicContact CD-CE1 4.26Å; I29-Y75 HydrophobicContact CD1-CD1 3.68Å; I29-Y75 HydrophobicContact CD1-CE1 3.63Å; L62-Y75 HydrophobicContact CD2-CD1 3.93Å; L62-Y75 HydrophobicContact CD2-CE1 4.33Å; M64-Y75 HydrophobicContact CG-CE1 4.42Å; D71-Y75 WeakPolarHBondContact O-CE2 3.38Å; D71-Y75 PolarHBondContact O-OH 3.46Å; A73-Y75 HydrophobicContact CB-CD2 4.21Å; A73-Y75 HydrophobicContact CB-CE2 3.76Å; A73-Y75 WeakPolarHBondContact O-CD2 3.34Å; Y75-G95 CarbonylContact O-C 3.58Å; Y75-G95 VanDerWaalsContact O-CA 3.22Å; Y75-G95 WeakPolarHBondContact O-CA 3.27Å; Y75-T96 PolarHBondContact N-O 2.87Å; Y75-T96 PolarHBondContact O-N 3.46Å; Y75-L98 HydrophobicContact CD2-CB 3.8Å; Y75-L98 HydrophobicContact CD2-CD2 4.35Å; Y75-L98 HydrophobicContact CE2-CB 3.7Å; Y75-L98 HydrophobicContact CE2-CD2 3.71Å; Y75-L98 HydrophobicContact CE2-CG 4.28Å
76Y97.6Very high88.3Confident44 Ų4457.1 Ų57.117%0.17331%0.313CS..EExtended strand (participates in β ladder)trans-117.9145-179.5-54.4-88.9000110.1W17 V18 Q20 L26 V74 W92 G93W17-Y76 WeakPolarHBondContact CA-O 3.32Å; V18-Y76 PolarHBondContact N-O 2.9Å; V18-Y76 PolarHBondContact O-N 2.85Å; Q20-Y76 HydrophobicContact CB-CE2 3.74Å; Q20-Y76 PolarHBondContact OE1-OH 3.45Å; L26-Y76 HydrophobicContact CD2-CE2 4.49Å; V74-Y76 HydrophobicContact CB-CE2 3.86Å; V74-Y76 HydrophobicContact CG1-CD1 4.48Å; V74-Y76 HydrophobicContact CG1-CD2 4.37Å; V74-Y76 HydrophobicContact CG1-CE1 3.79Å; V74-Y76 HydrophobicContact CG1-CE2 3.67Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.4Å; Y76-W92 HydrophobicContact CD1-CE3 4.48Å; Y76-W92 HydrophobicContact CG-CE3 4.07Å; Y76-W92 HydrophobicContact CG-CZ3 4.29Å; Y76-G93 WeakPolarHBondContact CD1-O 3.48Å
77C97Very high87.5Confident14 Ų1459.1 Ų59.110%0.09531%0.306CS..EExtended strand (participates in β ladder)trans-95.8147.5156.958.70000109.5C3 N16 W17 G93C3-C77 HydrophobicContact CB-CB 3.38Å; C3-C77 WeakPolarHBondContact CB-SG 3.09Å; C3-C77 WeakPolarHBondContact SG-CB 3.34Å; C3-C77 CovalentContact SG-SG 2.02Å; C3-C77 PolarHBondContact SG-SG 2.76Å; N16-C77 CarbonylContact O-C 3.53Å; N16-C77 WeakPolarHBondContact O-CA 3.3Å; W17-C77 HydrophobicContact CD2-CB 4.46Å; W17-C77 HydrophobicContact CE3-CB 4.29Å; W17-C77 HydrophobicContact CH2-CB 4.32Å; W17-C77 HydrophobicContact CZ2-CB 4.47Å; W17-C77 HydrophobicContact CZ3-CB 4.23Å; C77-G93 PolarHBondContact O-N 3.28Å
78A95.9Very high86.9Confident1 Ų163.2 Ų63.21%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-139.8144.3178.500000111.7N16 F89 Y91 W92N16-A78 HydrophobicContact CB-CB 4.37Å; N16-A78 WeakPolarHBondContact CB-O 3.27Å; N16-A78 PolarHBondContact N-O 3.19Å; N16-A78 PolarHBondContact O-N 3.39Å; A78-F89 HydrophobicContact CB-CB 4.13Å; A78-F89 HydrophobicContact CB-CD1 3.79Å; A78-F89 HydrophobicContact CB-CE1 4.39Å; A78-F89 HydrophobicContact CB-CG 3.9Å; A78-Y91 CarbonylContact C-O 3.43Å; A78-Y91 WeakPolarHBondContact CA-O 3.41Å; A78-W92 HydrophobicContact CB-CD2 3.98Å; A78-W92 HydrophobicContact CB-CE3 4.03Å; A78-W92 HydrophobicContact CB-CG 4.5Å; A78-W92 HydrophobicContact CB-CH2 4.46Å; A78-W92 HydrophobicContact CB-CZ2 4.44Å; A78-W92 HydrophobicContact CB-CZ3 4.28Å
79R91.9Very high86.3Confident27 Ų2763.9 Ų63.910%0.10232%0.316CS..EExtended strand (participates in β ladder)trans-103.6120.9172.3-169-162.782-175.85.6108.7F8 Y13 D90 Y91F8-R79 HydrophobicContact CE2-CG 4.32Å; F8-R79 HydrophobicContact CZ-CB 4.46Å; F8-R79 HydrophobicContact CZ-CG 4.24Å; Y13-R79 HydrophobicContact CD1-CG 3.8Å; Y13-R79 HydrophobicContact CG-CG 3.78Å; R79-D90 IonicContact NH2-OD2 3.35Å; R79-D90 PolarHBondContact NH2-OD2 2.98Å; R79-D90 PolarHBondContact O-N 2.79Å; R79-D90 VanDerWaalsContact O-N 3.16Å; R79-Y91 VanDerWaalsContact CZ-CE2 3.48Å; R79-Y91 PolarHBondContact N-O 3.47Å; R79-Y91 PolarHBondContact O-N 3.09Å
80P85.3Confident85.7Confident9 Ų964.2 Ų64.26%0.05831%0.312CS..EExtended strand (participates in β ladder)trans-77.8152.4171.734.1-29.2000109.9Y14 N16 Y87 Y88 F89Y14-P80 WeakPolarHBondContact O-CD 3.37Å; N16-P80 WeakPolarHBondContact ND2-CD 3.19Å; P80-Y87 HydrophobicContact CB-CD1 4.25Å; P80-Y88 CarbonylContact C-O 3.45Å; P80-Y88 WeakPolarHBondContact CA-O 3.42Å; P80-F89 HydrophobicContact CB-CD1 3.98Å; P80-F89 HydrophobicContact CB-CE1 4.07Å
81I78.9Confident85.6Confident38 Ų3864.3 Ų64.320%0.19531%0.308CS..EExtended strand (participates in β ladder)trans-113.1145.7160.362.3175.3000108.2Y83 Y87 Y88 D90I81-Y83 HydrophobicContact CD1-CD2 4.33Å; I81-Y87 WeakPolarHBondContact O-CA 3.36Å; I81-Y88 PolarHBondContact N-O 3.11Å; I81-Y88 PolarHBondContact O-N 2.85Å; I81-D90 HydrophobicContact CB-CB 4.22Å; I81-D90 HydrophobicContact CD1-CB 3.78Å; I81-D90 HydrophobicContact CG1-CB 3.81Å; I81-D90 HydrophobicContact CG2-CB 3.53Å; I81-D90 WeakPolarHBondContact CG2-OD2 3.18Å
82Y71.5Confident85.6Confident143 Ų14368.6 Ų68.656%0.56132%0.324SS*.EExtended strand (participates in β ladder)trans-84.6116.6165.1-173.2-106.3000107.9G84 Y87Y82-G84 VanDerWaalsContact CE1-O 3.29Å; Y82-G84 WeakPolarHBondContact CE1-O 3.28Å; Y82-G84 PolarHBondContact OH-O 2.84Å; Y82-Y87 HydrophobicContact CD2-CD1 4.18Å; Y82-Y87 HydrophobicContact CD2-CD2 4.39Å; Y82-Y87 AromaticContact CD2-CE1 3.79Å; Y82-Y87 HydrophobicContact CD2-CE1 3.79Å; Y82-Y87 AromaticContact CD2-CE2 4Å; Y82-Y87 HydrophobicContact CD2-CE2 4Å; Y82-Y87 HydrophobicContact CD2-CG 4.48Å; Y82-Y87 AromaticContact CD2-CZ 3.68Å; Y82-Y87 HydrophobicContact CE2-CE2 4.38Å; Y82-Y87 HydrophobicContact CG-CE1 4.31Å
83Y67Low85.6Confident173 Ų17368.3 Ų68.368%0.67833%0.326SS*.EExtended strand (participates in β ladder)trans-134.9118.6177.9-152.1-90.4000109.6I81 N85 G86I81-Y83 HydrophobicContact CD1-CD2 4.33Å; Y83-N85 PolarHBondContact O-N 2.99Å; Y83-G86 PolarHBondContact N-O 3.08Å; Y83-G86 PolarHBondContact O-N 3.4Å
84G77.6Confident85.5Confident54 Ų5477.1 Ų77.156%0.55737%0.366SS*.THydrogen-bonded Turntrans61.2-123.6-172.600000111.8Y82Y82-G84 VanDerWaalsContact CE1-O 3.29Å; Y82-G84 WeakPolarHBondContact CE1-O 3.28Å; Y82-G84 PolarHBondContact OH-O 2.84Å
85N76.3Confident85.4Confident169 Ų16976.5 Ų76.590%0.90437%0.367SS*.THydrogen-bonded Turntrans-98.816.8-178.8-70-28.4000113.8Y83Y83-N85 PolarHBondContact O-N 2.99Å
86G73.6Confident85.4Confident19 Ų1980 Ų8020%0.19639%0.389CS..EExtended strand (participates in β ladder)trans-146.5165.7-173.100000115.2Y83Y83-G86 PolarHBondContact N-O 3.08Å; Y83-G86 PolarHBondContact O-N 3.4Å
87Y75.6Confident85.3Confident144 Ų14482.6 Ų82.657%0.56541%0.409SS*.EExtended strand (participates in β ladder)trans-103.7128.5172.2-71.4-80.8000110.1P80 I81 Y82P80-Y87 HydrophobicContact CB-CD1 4.25Å; I81-Y87 WeakPolarHBondContact O-CA 3.36Å; Y82-Y87 HydrophobicContact CD2-CD1 4.18Å; Y82-Y87 HydrophobicContact CD2-CD2 4.39Å; Y82-Y87 AromaticContact CD2-CE1 3.79Å; Y82-Y87 HydrophobicContact CD2-CE1 3.79Å; Y82-Y87 AromaticContact CD2-CE2 4Å; Y82-Y87 HydrophobicContact CD2-CE2 4Å; Y82-Y87 HydrophobicContact CD2-CG 4.48Å; Y82-Y87 AromaticContact CD2-CZ 3.68Å; Y82-Y87 HydrophobicContact CE2-CE2 4.38Å; Y82-Y87 HydrophobicContact CG-CE1 4.31Å
88Y80.4Confident85.2Confident147 Ų14784.1 Ų84.158%0.57642%0.416SS*.EExtended strand (participates in β ladder)trans-124.8140.9177.2-61.1-85000110P80 I81 D90P80-Y88 CarbonylContact C-O 3.45Å; P80-Y88 WeakPolarHBondContact CA-O 3.42Å; I81-Y88 PolarHBondContact N-O 3.11Å; I81-Y88 PolarHBondContact O-N 2.85Å; Y88-D90 PolarHBondContact O-N 2.81Å; Y88-D90 VanDerWaalsContact O-N 3.16Å
89F81.3Confident85.1Confident73 Ų7389.5 Ų89.532%0.3245%0.449SS..EExtended strand (participates in β ladder)trans-78.898.7173.7-63.2-47.4000110.4N16 V18 A78 P80 W92N16-F89 HydrophobicContact CB-CD1 4.43Å; N16-F89 HydrophobicContact CB-CE1 3.59Å; N16-F89 HydrophobicContact CB-CZ 3.9Å; N16-F89 WeakPolarHBondContact OD1-CE1 3.47Å; N16-F89 WeakPolarHBondContact OD1-CZ 3.26Å; V18-F89 HydrophobicContact CG2-CE2 4.4Å; A78-F89 HydrophobicContact CB-CB 4.13Å; A78-F89 HydrophobicContact CB-CD1 3.79Å; A78-F89 HydrophobicContact CB-CE1 4.39Å; A78-F89 HydrophobicContact CB-CG 3.9Å; P80-F89 HydrophobicContact CB-CD1 3.98Å; P80-F89 HydrophobicContact CB-CE1 4.07Å; F89-W92 HydrophobicContact CB-CZ2 3.62Å; F89-W92 AromaticContact CD2-CH2 3.99Å; F89-W92 HydrophobicContact CD2-CH2 3.99Å; F89-W92 AromaticContact CD2-CZ2 3.53Å; F89-W92 HydrophobicContact CD2-CZ2 3.53Å; F89-W92 AromaticContact CG-CZ2 3.89Å; F89-W92 HydrophobicContact CG-CZ2 3.89Å; F89-W92 PolarHBondContact O-NE1 3.18Å
90D81.6Confident85.2Confident81 Ų8189.6 Ų89.643%0.43345%0.453SS..EExtended strand (participates in β ladder)trans-82.1-37.9-177-170.827000112R79 I81 Y88R79-D90 IonicContact NH2-OD2 3.35Å; R79-D90 PolarHBondContact NH2-OD2 2.98Å; R79-D90 PolarHBondContact O-N 2.79Å; R79-D90 VanDerWaalsContact O-N 3.16Å; I81-D90 HydrophobicContact CB-CB 4.22Å; I81-D90 HydrophobicContact CD1-CB 3.78Å; I81-D90 HydrophobicContact CG1-CB 3.81Å; I81-D90 HydrophobicContact CG2-CB 3.53Å; I81-D90 WeakPolarHBondContact CG2-OD2 3.18Å; Y88-D90 PolarHBondContact O-N 2.81Å; Y88-D90 VanDerWaalsContact O-N 3.16Å
91Y86Confident85.5Confident135 Ų13594.1 Ų94.153%0.52949%0.485SS..EExtended strand (participates in β ladder)trans-120.5130.4178.9-69.2-89.3000111.2A78 R79A78-Y91 CarbonylContact C-O 3.43Å; A78-Y91 WeakPolarHBondContact CA-O 3.41Å; R79-Y91 VanDerWaalsContact CZ-CE2 3.48Å; R79-Y91 PolarHBondContact N-O 3.47Å; R79-Y91 PolarHBondContact O-N 3.09Å
92W94.1Very high85.5Confident93 Ų93100 Ų10035%0.35254%0.539SS..EExtended strand (participates in β ladder)trans-117.2138.1175.2-68.678.1000109.8V18 L26 Y76 A78 F89V18-W92 HydrophobicContact CB-CH2 4.13Å; V18-W92 HydrophobicContact CB-CZ3 3.81Å; V18-W92 HydrophobicContact CG1-CH2 4.03Å; V18-W92 HydrophobicContact CG1-CZ3 3.98Å; V18-W92 HydrophobicContact CG2-CH2 3.86Å; V18-W92 HydrophobicContact CG2-CZ3 3.91Å; L26-W92 HydrophobicContact CD1-CH2 3.86Å; L26-W92 HydrophobicContact CD1-CZ2 4.32Å; L26-W92 HydrophobicContact CD2-CH2 4.36Å; L26-W92 HydrophobicContact CD2-CZ3 4.29Å; Y76-W92 HydrophobicContact CD1-CE3 4.48Å; Y76-W92 HydrophobicContact CG-CE3 4.07Å; Y76-W92 HydrophobicContact CG-CZ3 4.29Å; A78-W92 HydrophobicContact CB-CD2 3.98Å; A78-W92 HydrophobicContact CB-CE3 4.03Å; A78-W92 HydrophobicContact CB-CG 4.5Å; A78-W92 HydrophobicContact CB-CH2 4.46Å; A78-W92 HydrophobicContact CB-CZ2 4.44Å; A78-W92 HydrophobicContact CB-CZ3 4.28Å; F89-W92 HydrophobicContact CB-CZ2 3.62Å; F89-W92 AromaticContact CD2-CH2 3.99Å; F89-W92 HydrophobicContact CD2-CH2 3.99Å; F89-W92 AromaticContact CD2-CZ2 3.53Å; F89-W92 HydrophobicContact CD2-CZ2 3.53Å; F89-W92 AromaticContact CG-CZ2 3.89Å; F89-W92 HydrophobicContact CG-CZ2 3.89Å; F89-W92 PolarHBondContact O-NE1 3.18Å
93G94.3Very high86.2Confident26 Ų2697.9 Ų97.927%0.26854%0.538SS..  trans-64.8161.7163.500000110.6Y76 C77 G95Y76-G93 WeakPolarHBondContact CD1-O 3.48Å; C77-G93 PolarHBondContact O-N 3.28Å; G93-G95 PolarHBondContact O-N 2.62Å
94Q95Very high87.2Confident189 Ų18993.9 Ų93.988%0.88353%0.531SS*.  trans-63.6-12.5178.9-64.8-60.5-50.200114
95G95.5Very high87.8Confident23 Ų2396.1 Ų96.124%0.23753%0.529CS..  trans85.8159.9-174.700000112.4Y75 G93Y75-G95 CarbonylContact O-C 3.58Å; Y75-G95 VanDerWaalsContact O-CA 3.22Å; Y75-G95 WeakPolarHBondContact O-CA 3.27Å; G93-G95 PolarHBondContact O-N 2.62Å
96T96.8Very high88.4Confident77 Ų7791.8 Ų91.847%0.47251%0.507SS..EExtended strand (participates in β ladder)trans-140.1124.8172.6-680000108.7L1 Y75 L98L1-T96 HydrophobicContact CD2-CG2 3.78Å; Y75-T96 PolarHBondContact N-O 2.87Å; Y75-T96 PolarHBondContact O-N 3.46Å; T96-L98 PolarHBondContact O-N 2.62Å
97T96.4Very high89.4Confident99 Ų9996.4 Ų96.461%0.60753%0.527SS*.EExtended strand (participates in β ladder)trans-72.7124175.3-52.90000109.9
98L94Very high90.3Very high46 Ų4693.2 Ų93.224%0.24152%0.524CS..EExtended strand (participates in β ladder)trans-110122.6167.1178.264.9000107.7L67 S72 A73 Y75 T96 V100L67-L98 HydrophobicContact CD1-CD2 3.96Å; L67-L98 HydrophobicContact CD2-CD2 4.25Å; S72-L98 CarbonylContact C-O 3.58Å; S72-L98 VanDerWaalsContact CA-O 3.25Å; S72-L98 WeakPolarHBondContact CA-O 3.16Å; A73-L98 PolarHBondContact N-O 3.24Å; A73-L98 PolarHBondContact O-N 2.78Å; Y75-L98 HydrophobicContact CD2-CB 3.8Å; Y75-L98 HydrophobicContact CD2-CD2 4.35Å; Y75-L98 HydrophobicContact CE2-CB 3.7Å; Y75-L98 HydrophobicContact CE2-CD2 3.71Å; Y75-L98 HydrophobicContact CE2-CG 4.28Å; T96-L98 PolarHBondContact O-N 2.62Å; L98-V100 HydrophobicContact CG-CG2 4.25Å
99T95.1Very high91Very high114 Ų11489.4 Ų89.470%0.69952%0.52SS*.  trans-113.7127.8175-55.90000108.7
100V93.5Very high91.7Very high29 Ų2990.6 Ų90.618%0.17654%0.536CS..  trans-119112.3176.9-173.80000107L67 T68 S69 S72 L98L67-V100 HydrophobicContact CB-CG1 4.22Å; L67-V100 HydrophobicContact CB-CG2 4.03Å; L67-V100 HydrophobicContact CD1-CG2 4.17Å; T68-V100 WeakPolarHBondContact O-CB 3.44Å; T68-V100 WeakPolarHBondContact O-CG1 3.35Å; S69-V100 WeakPolarHBondContact CA-O 3.23Å; S72-V100 PolarHBondContact OG-N 2.87Å; S72-V100 PolarHBondContact OG-O 3.43Å; L98-V100 HydrophobicContact CG-CG2 4.25Å
101S91.1Very high92.6Very high105 Ų10591.4 Ų91.473%0.73454%0.544SS*.  trans-92.6153.6173.456.40000110.6
102A79.4Confident93.2Very high161 Ų16187.5 Ų87.5100%1.33155%0.546SS*.  trans-69.10172.600000112.3

Retrieved 102 of 102 residues in 65.6 ms (Link to these results)

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