X2JEE0_DROME Loading...

Autophagy-related 8a, isoform C

AlphaFold DB , UniProt , Accession X2JEE0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Atg8a, Length 107 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
1M37.1Very low42.1Very low246 Ų246160.8 Ų160.8100%1.21282%0.82SS**  0119.20-77.2150.762.700107
2C37.3Very low43.3Very low119 Ų119161.3 Ų161.380%0.80481%0.812SS**  cis-149.9131.16.4-149.50000106.4C4C2-C4 PolarHBondContact O-N 3.46Å; C2-C4 VanDerWaalsContact O-N 3.16Å
3M44.5Very low45.9Very low197 Ų197159.7 Ų159.797%0.9780%0.8SS**  trans-76.394.4173.9-161.3131.667.100107
4C38.6Very low49Very low91 Ų91156.1 Ų156.162%0.61578%0.781SS**  trans-158.584174.4-156.80000111.3C2C2-C4 PolarHBondContact O-N 3.46Å; C2-C4 VanDerWaalsContact O-N 3.16Å
5F39Very low51.8Low199 Ų199146.5 Ų146.587%0.87373%0.734SS**  -134.481.2129-121.8-89.9000107.4I7F5-I7 PolarHBondContact O-N 3.1Å
6C35.1Very low54.4Low88 Ų88142.6 Ų142.660%0.59571%0.712SS**  trans-42.6118.2161.5-1080000109.7M8C6-M8 PolarHBondContact O-N 3.44Å
7I48.1Very low56.8Low166 Ų166134.2 Ų134.285%0.85167%0.671SS**  28.174.8126.2-47.5171.7000113.2F5F5-I7 PolarHBondContact O-N 3.1Å
8M40.4Very low58.9Low150 Ų150127.5 Ų127.574%0.73964%0.637SS**  trans-138115.8160.8-69.5-147.3-64.500108.9C6C6-M8 PolarHBondContact O-N 3.44Å
9N44.1Very low60.7Low132 Ų132120.8 Ų120.871%0.70660%0.603SS**  trans68.672.4169.7-72.1-62.7000117.4K11N9-K11 PolarHBondContact O-N 2.54Å
10K47.6Very low62.3Low214 Ų214116.8 Ų116.893%0.9358%0.583SS**  trans-68.751.9145.4-77.9-170.7179.2172.10110.6K12K10-K12 PolarHBondContact O-N 3.08Å; K10-K12 VanDerWaalsContact O-N 3.08Å
11K51.1Low63.7Low167 Ų167114.1 Ų114.173%0.72657%0.568SS**  trans-64.5111.1153.5-80.5-169.3179.1171.50103.8N9 Q13N9-K11 PolarHBondContact O-N 2.54Å; K11-Q13 PolarHBondContact O-N 2.97Å
12K57Low66.2Low166 Ų166102.4 Ų102.472%0.72251%0.51SS*.  trans-48.3109170.4-74.4178.8174.8177.90105.9K10 M14K10-K12 PolarHBondContact O-N 3.08Å; K10-K12 VanDerWaalsContact O-N 3.08Å; K12-M14 VanDerWaalsContact C-N 3.29Å; K12-M14 HydrophobicContact CB-CG 4.24Å; K12-M14 WeakPolarHBondContact O-CG 3.39Å; K12-M14 PolarHBondContact O-N 2.81Å
13Q77Confident68.4Low141 Ų141101.2 Ų101.266%0.65950%0.501SS*.  trans-65.4101.2173.5-80.5-170.673.100105.1K11 S39K11-Q13 PolarHBondContact O-N 2.97Å; Q13-S39 WeakPolarHBondContact CB-OG 3.49Å; Q13-S39 VanDerWaalsContact O-CB 3.27Å; Q13-S39 WeakPolarHBondContact O-CB 3.22Å; Q13-S39 PolarHBondContact O-N 3.25Å; Q13-S39 PolarHBondContact O-OG 3.02Å
14M88.6Confident70.2Confident109 Ų10998.4 Ų98.454%0.53748%0.483SS..EExtended strand (participates in β ladder)trans-94.1128.7177.4-62.3-162-6100107.3K12 L36 V37K12-M14 VanDerWaalsContact C-N 3.29Å; K12-M14 HydrophobicContact CB-CG 4.24Å; K12-M14 WeakPolarHBondContact O-CG 3.39Å; K12-M14 PolarHBondContact O-N 2.81Å; M14-L36 HydrophobicContact CE-CD1 4.2Å; M14-L36 HydrophobicContact SD-CB 4.39Å; M14-V37 CarbonylContact C-O 3.57Å; M14-V37 WeakPolarHBondContact CA-O 3.36Å
15I92Very high72.5Confident13 Ų1394.5 Ų94.57%0.06746%0.458CS..EExtended strand (participates in β ladder)trans-99150.7174.561.6159000109.6V17 L36 V37 M77 Y81 L91I15-V17 HydrophobicContact CD1-CG2 3.52Å; I15-V17 HydrophobicContact CG1-CG2 3.81Å; I15-L36 WeakPolarHBondContact O-CA 3.49Å; I15-V37 HydrophobicContact CD1-CB 4.5Å; I15-V37 HydrophobicContact CG1-CB 4Å; I15-V37 VanDerWaalsContact CG1-O 3.28Å; I15-V37 WeakPolarHBondContact CG1-O 3.48Å; I15-V37 PolarHBondContact N-O 3.31Å; I15-V37 PolarHBondContact O-N 2.93Å; I15-M77 HydrophobicContact CD1-CB 3.73Å; I15-M77 HydrophobicContact CD1-CE 4.27Å; I15-M77 WeakPolarHBondContact CD1-O 3.12Å; I15-Y81 HydrophobicContact CB-CD2 3.81Å; I15-Y81 HydrophobicContact CB-CE2 4.34Å; I15-Y81 HydrophobicContact CB-CG 4.05Å; I15-Y81 HydrophobicContact CD1-CD2 4.34Å; I15-Y81 HydrophobicContact CD1-CG 4.43Å; I15-Y81 HydrophobicContact CG2-CD1 4.04Å; I15-Y81 HydrophobicContact CG2-CD2 3.99Å; I15-Y81 HydrophobicContact CG2-CG 3.71Å; I15-L91 HydrophobicContact CD1-CD2 4.3Å
16Q93.4Very high74.7Confident83 Ų8396 Ų9639%0.38846%0.457SS..EExtended strand (participates in β ladder)trans-93.3122174.3-59.1-168.986.200109.3L36 F90 L91Q16-L36 HydrophobicContact CG-CD2 3.88Å; Q16-F90 HydrophobicContact CB-CD1 3.46Å; Q16-F90 VanDerWaalsContact CB-CD1 3.46Å; Q16-F90 HydrophobicContact CB-CE1 3.55Å; Q16-F90 HydrophobicContact CB-CG 4.41Å; Q16-F90 HydrophobicContact CG-CE1 4.17Å; Q16-F90 VanDerWaalsContact OE1-CE1 3.29Å; Q16-L91 PolarHBondContact O-N 3.47Å
17V94.4Very high77.2Confident1 Ų192.4 Ų92.41%0.00643%0.432CS..EExtended strand (participates in β ladder)trans-123130.1-177-172.50000109.2I15 V19 Y35 V37 F46 M77 L91 I93I15-V17 HydrophobicContact CD1-CG2 3.52Å; I15-V17 HydrophobicContact CG1-CG2 3.81Å; V17-V19 HydrophobicContact CG1-CG2 3.95Å; V17-Y35 PolarHBondContact N-O 3.5Å; V17-Y35 PolarHBondContact O-N 2.75Å; V17-V37 HydrophobicContact CB-CG2 4.12Å; V17-V37 HydrophobicContact CG2-CB 4.06Å; V17-V37 HydrophobicContact CG2-CG2 3.7Å; V17-F46 HydrophobicContact CG1-CZ 4.29Å; V17-M77 HydrophobicContact CG1-CE 4.28Å; V17-M77 HydrophobicContact CG2-CE 3.93Å; V17-L91 CarbonylContact C-O 3.6Å; V17-L91 WeakPolarHBondContact CA-O 3.47Å; V17-L91 HydrophobicContact CG2-CB 4.4Å; V17-L91 HydrophobicContact CG2-CD2 4.38Å; V17-I93 HydrophobicContact CG1-CD1 3.52Å; V17-I93 HydrophobicContact CG1-CG1 3.75Å
18I94.4Very high79.1Confident13 Ų1386.2 Ų86.27%0.06741%0.409CS..EExtended strand (participates in β ladder)trans-105119.1171.9-59.2-175.9000107.6E20 K33 K34 F90 L91 Y92 I93I18-E20 HydrophobicContact CG2-CG 3.89Å; I18-K33 CarbonylContact C-O 3.59Å; I18-K33 WeakPolarHBondContact CA-O 3.4Å; I18-K34 HydrophobicContact CG1-CG 4.32Å; I18-F90 HydrophobicContact CD1-CB 3.96Å; I18-F90 HydrophobicContact CD1-CD1 3.69Å; I18-F90 HydrophobicContact CD1-CD2 4.33Å; I18-F90 HydrophobicContact CD1-CE1 4.28Å; I18-F90 HydrophobicContact CD1-CG 3.73Å; I18-F90 HydrophobicContact CG1-CB 4.14Å; I18-F90 HydrophobicContact CG1-CD1 3.66Å; I18-F90 HydrophobicContact CG1-CE1 4.38Å; I18-F90 HydrophobicContact CG1-CG 4.07Å; I18-L91 PolarHBondContact N-O 3.43Å; I18-Y92 HydrophobicContact CB-CD1 4.06Å; I18-Y92 HydrophobicContact CB-CE1 4.16Å; I18-Y92 HydrophobicContact CD1-CE1 3.76Å; I18-Y92 HydrophobicContact CG1-CE1 4.47Å; I18-Y92 HydrophobicContact CG2-CD1 4.18Å; I18-Y92 HydrophobicContact CG2-CE1 4.19Å; I18-I93 PolarHBondContact O-N 3.05Å
19V94.6Very high81.4Confident0 Ų084.3 Ų84.30%040%0.402CS..EExtended strand (participates in β ladder)trans-112120179.4-172.80000108.9V17 L30 K33 Y35 F46 I50 I93 Y95V17-V19 HydrophobicContact CG1-CG2 3.95Å; V19-L30 HydrophobicContact CB-CD1 4.01Å; V19-L30 HydrophobicContact CG1-CD1 3.58Å; V19-K33 PolarHBondContact N-O 2.94Å; V19-K33 WeakPolarHBondContact O-CA 3.32Å; V19-K33 WeakPolarHBondContact O-CB 3.27Å; V19-Y35 HydrophobicContact CB-CD2 4.22Å; V19-Y35 HydrophobicContact CB-CE2 4Å; V19-Y35 HydrophobicContact CG2-CD2 3.76Å; V19-Y35 HydrophobicContact CG2-CE2 3.96Å; V19-F46 HydrophobicContact CG2-CE1 3.87Å; V19-F46 HydrophobicContact CG2-CZ 3.66Å; V19-I50 HydrophobicContact CG1-CD1 4.44Å; V19-I50 HydrophobicContact CG2-CD1 4.45Å; V19-I93 CarbonylContact C-O 3.56Å; V19-I93 VanDerWaalsContact CA-O 3.3Å; V19-I93 WeakPolarHBondContact CA-O 3.34Å; V19-I93 HydrophobicContact CG2-CB 4.44Å; V19-Y95 HydrophobicContact CG1-CD1 3.69Å; V19-Y95 HydrophobicContact CG1-CE1 4.21Å
20E92.2Very high83.6Confident41 Ų4179 Ų7919%0.19237%0.374CS..EExtended strand (participates in β ladder)trans-129.3148.3-179.9-54.9-154.4123.300112.4I18 K33 I93 A94 Y95 I106I18-E20 HydrophobicContact CG2-CG 3.89Å; E20-K33 HydrophobicContact CG-CD 4.2Å; E20-K33 WeakPolarHBondContact OE1-CD 3.42Å; E20-K33 WeakPolarHBondContact OE1-CE 3.5Å; E20-K33 IonicContact OE1-NZ 2.75Å; E20-K33 PolarHBondContact OE1-NZ 3.34Å; E20-I93 PolarHBondContact N-O 3.08Å; E20-A94 CarbonylContact O-C 3.55Å; E20-A94 VanDerWaalsContact O-CA 3.28Å; E20-A94 WeakPolarHBondContact O-CA 3.48Å; E20-Y95 WeakPolarHBondContact O-CD1 3.46Å; E20-Y95 PolarHBondContact O-N 2.83Å; E20-I106 HydrophobicContact CB-CD1 3.77Å; E20-I106 HydrophobicContact CG-CD1 4.3Å; E20-I106 WeakPolarHBondContact OE2-CG2 3.23Å
21K91.2Very high85.5Confident60 Ų6075.9 Ų75.926%0.26137%0.367SS..EExtended strand (participates in β ladder)trans-73.2134.3176-165.7174.175.7-1710109.4A25 I27 D29 Y95K21-A25 HydrophobicContact CD-CB 4.46Å; K21-A25 HydrophobicContact CG-CB 4Å; K21-I27 HydrophobicContact CD-CG2 3.72Å; K21-I27 VanDerWaalsContact CD-O 3.26Å; K21-I27 WeakPolarHBondContact CD-O 3.28Å; K21-I27 HydrophobicContact CG-CG2 3.89Å; K21-I27 PolarHBondContact NZ-O 2.83Å; K21-D29 WeakPolarHBondContact CD-OD1 3.49Å; K21-D29 WeakPolarHBondContact CE-OD1 3.35Å; K21-D29 IonicContact NZ-OD1 2.83Å; K21-D29 PolarHBondContact NZ-OD1 3.24Å; K21-D29 IonicContact NZ-OD2 3.42Å; K21-D29 PolarHBondContact NZ-OD2 2.82Å; K21-Y95 HydrophobicContact CB-CD1 4.49Å; K21-Y95 HydrophobicContact CB-CE1 3.74Å; K21-Y95 HydrophobicContact CB-CE2 4.18Å; K21-Y95 HydrophobicContact CD-CE2 4.39Å; K21-Y95 HydrophobicContact CG-CE1 4.36Å; K21-Y95 HydrophobicContact CG-CE2 3.91Å
22A89.3Confident87.4Confident0 Ų074.8 Ų74.80%036%0.362CS..  trans-59.9139.4168.900000110.1K24 A25 Y95 A104A22-K24 PolarHBondContact O-N 2.9Å; A22-A25 HydrophobicContact CB-CB 4.11Å; A22-A25 WeakPolarHBondContact O-CB 3.17Å; A22-A25 PolarHBondContact O-N 2.99Å; A22-Y95 WeakPolarHBondContact CB-O 3.49Å; A22-Y95 PolarHBondContact N-O 2.81Å; A22-A104 HydrophobicContact CB-CB 4.18Å
23P83.6Confident89Confident95 Ų9572.1 Ų72.162%0.61735%0.351SS*.THydrogen-bonded Turntrans-61.4-22.6-170.622.4-34.4000114.4M103 K105P23-M103 WeakPolarHBondContact CD-O 3.27Å; P23-K105 WeakPolarHBondContact CG-O 3.29Å
24K82.4Confident89.8Confident138 Ų13872.4 Ų72.460%0.635%0.35SS*.THydrogen-bonded Turntrans-102.4-2.8-179.6-63.5-179.1178.3178.30113.8A22 M103A22-K24 PolarHBondContact O-N 2.9Å; K24-M103 HydrophobicContact CB-CB 4.29Å; K24-M103 HydrophobicContact CB-SD 3.84Å; K24-M103 HydrophobicContact CD-CB 4.03Å; K24-M103 HydrophobicContact CD-CE 4.48Å; K24-M103 HydrophobicContact CD-CG 3.81Å; K24-M103 HydrophobicContact CD-SD 3.37Å; K24-M103 WeakPolarHBondContact CD-SD 3.41Å; K24-M103 HydrophobicContact CG-SD 4.25Å
25A86.6Confident90.1Very high9 Ų968.8 Ų68.87%0.07433%0.33CS..  trans-73.6136.2-175.900000111.4K21 A22 I27 D97K21-A25 HydrophobicContact CD-CB 4.46Å; K21-A25 HydrophobicContact CG-CB 4Å; A22-A25 HydrophobicContact CB-CB 4.11Å; A22-A25 WeakPolarHBondContact O-CB 3.17Å; A22-A25 PolarHBondContact O-N 2.99Å; A25-I27 HydrophobicContact CB-CG2 3.84Å; A25-I27 PolarHBondContact O-N 2.82Å; A25-D97 WeakPolarHBondContact CA-OD1 3.41Å; A25-D97 VanDerWaalsContact CB-OD1 3.32Å; A25-D97 WeakPolarHBondContact CB-OD1 3.48Å
26R86Confident90.1Very high230 Ų23073.5 Ų73.587%0.86836%0.355SS*.  trans-96.533.6-178.4-61.7-178-176.3-176.82.3111.9D97R26-D97 PolarHBondContact N-OD1 2.89Å
27I87.9Confident90.1Very high13 Ų1369.8 Ų69.87%0.06734%0.338CS..SBendtrans-106.7158.8-175.8-164.2163000110.8K21 A25 I54 L56 L62 Y95 D97K21-I27 HydrophobicContact CD-CG2 3.72Å; K21-I27 VanDerWaalsContact CD-O 3.26Å; K21-I27 WeakPolarHBondContact CD-O 3.28Å; K21-I27 HydrophobicContact CG-CG2 3.89Å; K21-I27 PolarHBondContact NZ-O 2.83Å; A25-I27 HydrophobicContact CB-CG2 3.84Å; A25-I27 PolarHBondContact O-N 2.82Å; I27-I54 HydrophobicContact CD1-CD1 3.48Å; I27-I54 VanDerWaalsContact CD1-CD1 3.48Å; I27-I54 HydrophobicContact CG1-CD1 3.73Å; I27-L56 HydrophobicContact CD1-CD1 3.72Å; I27-L56 HydrophobicContact CD1-CD2 3.88Å; I27-L56 HydrophobicContact CD1-CG 4.37Å; I27-L56 HydrophobicContact CG1-CD1 3.83Å; I27-L62 HydrophobicContact CD1-CD1 3.7Å; I27-Y95 HydrophobicContact CD1-CD2 4.47Å; I27-Y95 HydrophobicContact CG2-CD2 3.82Å; I27-Y95 HydrophobicContact CG2-CE2 3.43Å; I27-Y95 VanDerWaalsContact CG2-CE2 3.43Å; I27-D97 HydrophobicContact CB-CB 4.48Å
28G87.4Confident90.1Very high36 Ų3671.7 Ų71.737%0.37135%0.35SS..PPolyproline II helixtrans-56.8147.117700000112.9I54 Y95G28-I54 WeakPolarHBondContact O-CG2 2.96Å; G28-Y95 PolarHBondContact O-OH 3.4Å
29D89.1Confident90Very high110 Ų11072.3 Ų72.359%0.58836%0.356SS*.PPolyproline II helixtrans-80.4150.4175.6-69.9-62.9000111.6K21K21-D29 WeakPolarHBondContact CD-OD1 3.49Å; K21-D29 WeakPolarHBondContact CE-OD1 3.35Å; K21-D29 IonicContact NZ-OD1 2.83Å; K21-D29 PolarHBondContact NZ-OD1 3.24Å; K21-D29 IonicContact NZ-OD2 3.42Å; K21-D29 PolarHBondContact NZ-OD2 2.82Å
30L90.4Very high89.8Confident20 Ų2078 Ų7811%0.10539%0.387CS..PPolyproline II helixtrans-86.9133.4171.9-73.6170.9000110.7V19 K32 Y35 I50 R53 I54 Y95V19-L30 HydrophobicContact CB-CD1 4.01Å; V19-L30 HydrophobicContact CG1-CD1 3.58Å; L30-K32 PolarHBondContact O-N 2.77Å; L30-Y35 HydrophobicContact CD1-CE2 4.38Å; L30-Y35 WeakPolarHBondContact CD2-OH 3.48Å; L30-I50 HydrophobicContact CD1-CD1 4.32Å; L30-I50 HydrophobicContact CD1-CG2 4.39Å; L30-I50 HydrophobicContact CD2-CG2 4.37Å; L30-R53 HydrophobicContact CD2-CB 3.67Å; L30-I54 HydrophobicContact CD2-CG2 3.46Å; L30-I54 VanDerWaalsContact CD2-CG2 3.46Å; L30-I54 HydrophobicContact CG-CG2 3.8Å; L30-Y95 HydrophobicContact CD1-CD1 4.25Å; L30-Y95 HydrophobicContact CD1-CE1 3.62Å; L30-Y95 HydrophobicContact CG-CE1 4.05Å; L30-Y95 PolarHBondContact N-OH 3.08Å
31D87.9Confident89.9Confident149 Ų14977.5 Ų77.580%0.79739%0.385SS*.SBendtrans-61.8-28.8174.9-56.2-45.7000113.1
32K89.9Confident90.1Very high144 Ų14476.7 Ų76.763%0.62639%0.385SS*.  trans-135.6133.3-179.5-62.9-175.1-177.8-1770108.9L30 Y35L30-K32 PolarHBondContact O-N 2.77Å; K32-Y35 WeakPolarHBondContact O-CE2 3.4Å; K32-Y35 VanDerWaalsContact O-CZ 3.28Å; K32-Y35 PolarHBondContact O-OH 3.36Å
33K91.8Very high90.4Very high109 Ų10976.7 Ų76.747%0.47439%0.385SS..  trans-94.1-25.6178.5-63.5176.3163.8-162.80113.3I18 V19 E20 Y35I18-K33 CarbonylContact C-O 3.59Å; I18-K33 WeakPolarHBondContact CA-O 3.4Å; V19-K33 PolarHBondContact N-O 2.94Å; V19-K33 WeakPolarHBondContact O-CA 3.32Å; V19-K33 WeakPolarHBondContact O-CB 3.27Å; E20-K33 HydrophobicContact CG-CD 4.2Å; E20-K33 WeakPolarHBondContact OE1-CD 3.42Å; E20-K33 WeakPolarHBondContact OE1-CE 3.5Å; E20-K33 IonicContact OE1-NZ 2.75Å; E20-K33 PolarHBondContact OE1-NZ 3.34Å; K33-Y35 WeakPolarHBondContact O-CD2 3.35Å
34K93.4Very high90.9Very high147 Ų14773.6 Ų73.664%0.63937%0.37SS*.EExtended strand (participates in β ladder)trans-98.5129.2-176-59.2-170.9176.1-172.50111.1I18I18-K34 HydrophobicContact CG1-CG 4.32Å
35Y93.6Very high91.5Very high33 Ų3371.9 Ų71.913%0.12936%0.364CS..EExtended strand (participates in β ladder)trans-130140.7-177.6-65.6-93.4000111.2V17 V19 L30 K32 K33 I50V17-Y35 PolarHBondContact N-O 3.5Å; V17-Y35 PolarHBondContact O-N 2.75Å; V19-Y35 HydrophobicContact CB-CD2 4.22Å; V19-Y35 HydrophobicContact CB-CE2 4Å; V19-Y35 HydrophobicContact CG2-CD2 3.76Å; V19-Y35 HydrophobicContact CG2-CE2 3.96Å; L30-Y35 HydrophobicContact CD1-CE2 4.38Å; L30-Y35 WeakPolarHBondContact CD2-OH 3.48Å; K32-Y35 WeakPolarHBondContact O-CE2 3.4Å; K32-Y35 VanDerWaalsContact O-CZ 3.28Å; K32-Y35 PolarHBondContact O-OH 3.36Å; K33-Y35 WeakPolarHBondContact O-CD2 3.35Å; Y35-I50 HydrophobicContact CE1-CD1 4.37Å; Y35-I50 HydrophobicContact CE2-CD1 4.3Å
36L92.4Very high92Very high113 Ų11371.6 Ų71.659%0.59236%0.361SS*.EExtended strand (participates in β ladder)trans-97.9114.2163.9-69.4173.6000107.7M14 I15 Q16M14-L36 HydrophobicContact CE-CD1 4.2Å; M14-L36 HydrophobicContact SD-CB 4.39Å; I15-L36 WeakPolarHBondContact O-CA 3.49Å; Q16-L36 HydrophobicContact CG-CD2 3.88Å
37V93.2Very high92.4Very high5 Ų562.3 Ų62.33%0.0333%0.327CS..EExtended strand (participates in β ladder)trans-117.3133.5-172.3-172.20000109.5M14 I15 V17 S39 L41 F46 M77M14-V37 CarbonylContact C-O 3.57Å; M14-V37 WeakPolarHBondContact CA-O 3.36Å; I15-V37 HydrophobicContact CD1-CB 4.5Å; I15-V37 HydrophobicContact CG1-CB 4Å; I15-V37 VanDerWaalsContact CG1-O 3.28Å; I15-V37 WeakPolarHBondContact CG1-O 3.48Å; I15-V37 PolarHBondContact N-O 3.31Å; I15-V37 PolarHBondContact O-N 2.93Å; V17-V37 HydrophobicContact CB-CG2 4.12Å; V17-V37 HydrophobicContact CG2-CB 4.06Å; V17-V37 HydrophobicContact CG2-CG2 3.7Å; V37-S39 PolarHBondContact O-N 3.33Å; V37-L41 HydrophobicContact CG1-CB 4.09Å; V37-L41 HydrophobicContact CG1-CD2 3.46Å; V37-L41 VanDerWaalsContact CG1-CD2 3.46Å; V37-L41 HydrophobicContact CG1-CG 4.41Å; V37-F46 HydrophobicContact CG1-CD2 4.21Å; V37-F46 HydrophobicContact CG1-CE2 4.41Å; V37-F46 HydrophobicContact CG2-CD2 4.27Å; V37-F46 HydrophobicContact CG2-CE2 3.65Å; V37-F46 HydrophobicContact CG2-CZ 4.29Å; V37-M77 HydrophobicContact CG1-CB 4.22Å; V37-M77 HydrophobicContact CG1-CE 4.42Å; V37-M77 HydrophobicContact CG1-CG 3.92Å
38P94Very high92.6Very high40 Ų4068.6 Ų68.626%0.2635%0.354SS..EExtended strand (participates in β ladder)trans-61.6135.2171.9-20.933.3000111.1D40 L41P38-D40 WeakPolarHBondContact CB-OD1 3.15Å; P38-D40 PolarHBondContact O-N 2.89Å; P38-L41 HydrophobicContact CB-CB 4.45Å; P38-L41 WeakPolarHBondContact O-CB 3.39Å; P38-L41 PolarHBondContact O-N 3.36Å; P38-L41 VanDerWaalsContact O-N 3.09Å
39S92.1Very high92.9Very high27 Ų2771 Ų7119%0.18936%0.358CS..THydrogen-bonded Turntrans-63.2-26-178.963.80000113.5Q13 V37 L41 T76 G78Q13-S39 WeakPolarHBondContact CB-OG 3.49Å; Q13-S39 VanDerWaalsContact O-CB 3.27Å; Q13-S39 WeakPolarHBondContact O-CB 3.22Å; Q13-S39 PolarHBondContact O-N 3.25Å; Q13-S39 PolarHBondContact O-OG 3.02Å; V37-S39 PolarHBondContact O-N 3.33Å; S39-L41 VanDerWaalsContact C-N 3.34Å; S39-T76 WeakPolarHBondContact O-CB 3.36Å; S39-G78 WeakPolarHBondContact O-CA 3.32Å; S39-G78 PolarHBondContact O-N 2.9Å
40D90.6Very high93.1Very high120 Ų12065.8 Ų65.864%0.64233%0.33SS*.THydrogen-bonded Turntrans-81.6-10.917860.9-29.9000113.5P38P38-D40 WeakPolarHBondContact CB-OD1 3.15Å; P38-D40 PolarHBondContact O-N 2.89Å
41L94.1Very high93.2Very high30 Ų3068.3 Ų68.316%0.15734%0.338CS..SBendtrans-64.4136.1174.6-166.779.4000109.6V37 P38 S39 Q45 F46 L49 T76 M77V37-L41 HydrophobicContact CG1-CB 4.09Å; V37-L41 HydrophobicContact CG1-CD2 3.46Å; V37-L41 VanDerWaalsContact CG1-CD2 3.46Å; V37-L41 HydrophobicContact CG1-CG 4.41Å; P38-L41 HydrophobicContact CB-CB 4.45Å; P38-L41 WeakPolarHBondContact O-CB 3.39Å; P38-L41 PolarHBondContact O-N 3.36Å; P38-L41 VanDerWaalsContact O-N 3.09Å; S39-L41 VanDerWaalsContact C-N 3.34Å; L41-Q45 HydrophobicContact CD1-CB 3.8Å; L41-Q45 HydrophobicContact CG-CB 4.01Å; L41-F46 HydrophobicContact CD2-CB 4.02Å; L41-F46 HydrophobicContact CD2-CD2 3.93Å; L41-F46 HydrophobicContact CD2-CG 4.45Å; L41-L49 HydrophobicContact CD2-CD1 3.97Å; L41-T76 CarbonylContact O-C 3.5Å; L41-T76 WeakPolarHBondContact O-CA 3.44Å; L41-M77 HydrophobicContact CB-CG 4.2Å; L41-M77 HydrophobicContact CD2-CG 4.44Å; L41-M77 VanDerWaalsContact O-CG 3.3Å; L41-M77 WeakPolarHBondContact O-CG 3.37Å; L41-M77 PolarHBondContact O-N 3.23Å
42T95.9Very high93.4Very high42 Ų4268.6 Ų68.626%0.25833%0.332SS..BIsolated β-bridgetrans-81.7154.817467.70000111.6G44 Q45 F46 A75T42-G44 PolarHBondContact O-N 2.86Å; T42-Q45 WeakPolarHBondContact O-CB 3.49Å; T42-Q45 PolarHBondContact O-N 2.86Å; T42-Q45 VanDerWaalsContact O-N 3.15Å; T42-Q45 VanDerWaalsContact OG1-CG 3.27Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.28Å; T42-Q45 PolarHBondContact OG1-N 3Å; T42-Q45 PolarHBondContact OG1-OE1 3.19Å; T42-F46 PolarHBondContact O-N 3.15Å; T42-A75 CarbonylContact C-O 3.51Å; T42-A75 WeakPolarHBondContact CA-O 3.47Å
43V95.5Very high93.6Very high1 Ų167.9 Ų67.91%0.00633%0.325CS..Hα-helixtrans-57.8-40.9173.7174.40000110.7Q45 F46 Y47 F64 P71 A75 M77 L80V43-Q45 VanDerWaalsContact C-N 3.34Å; V43-Q45 PolarHBondContact O-N 2.99Å; V43-F46 CarbonylContact O-C 3.58Å; V43-F46 WeakPolarHBondContact O-CA 3.07Å; V43-F46 WeakPolarHBondContact O-CB 3.3Å; V43-F46 PolarHBondContact O-N 3.21Å; V43-F46 VanDerWaalsContact O-N 3.08Å; V43-Y47 HydrophobicContact CG1-CD2 3.84Å; V43-Y47 HydrophobicContact CG1-CE2 3.67Å; V43-Y47 VanDerWaalsContact O-CD2 3.3Å; V43-Y47 WeakPolarHBondContact O-CD2 3.42Å; V43-Y47 PolarHBondContact O-N 2.79Å; V43-F64 HydrophobicContact CG1-CD2 4.46Å; V43-P71 HydrophobicContact CG1-CB 4.29Å; V43-P71 HydrophobicContact CG1-CG 3.92Å; V43-P71 HydrophobicContact CG2-CB 4.37Å; V43-A75 PolarHBondContact N-O 2.96Å; V43-M77 HydrophobicContact CG2-SD 4Å; V43-L80 HydrophobicContact CG2-CD1 3.32Å; V43-L80 HydrophobicContact CG2-CD2 3.87Å; V43-L80 HydrophobicContact CG2-CG 4.24Å
44G95.3Very high93.6Very high29 Ų2963.4 Ų63.430%0.29931%0.307SS..Hα-helixtrans-60.4-39.5176.100000113.6T42 F46 Y47 F48 T73T42-G44 PolarHBondContact O-N 2.86Å; G44-F46 VanDerWaalsContact C-N 3.34Å; G44-Y47 WeakPolarHBondContact O-CB 3.42Å; G44-Y47 PolarHBondContact O-N 2.86Å; G44-F48 PolarHBondContact O-N 2.94Å; G44-T73 PolarHBondContact N-O 2.78Å
45Q95.1Very high93.4Very high102 Ų10264.3 Ų64.348%0.47731%0.313SS..Hα-helixtrans-67-38.7172.5-72.1168.5-25.800111.2L41 T42 V43 F48 L49L41-Q45 HydrophobicContact CD1-CB 3.8Å; L41-Q45 HydrophobicContact CG-CB 4.01Å; T42-Q45 WeakPolarHBondContact O-CB 3.49Å; T42-Q45 PolarHBondContact O-N 2.86Å; T42-Q45 VanDerWaalsContact O-N 3.15Å; T42-Q45 VanDerWaalsContact OG1-CG 3.27Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.28Å; T42-Q45 PolarHBondContact OG1-N 3Å; T42-Q45 PolarHBondContact OG1-OE1 3.19Å; V43-Q45 VanDerWaalsContact C-N 3.34Å; V43-Q45 PolarHBondContact O-N 2.99Å; Q45-F48 WeakPolarHBondContact O-CB 3.38Å; Q45-F48 PolarHBondContact O-N 2.96Å; Q45-L49 PolarHBondContact O-N 3.16Å; Q45-L49 VanDerWaalsContact O-N 3.13Å
46F95.3Very high93.3Very high4 Ų464 Ų642%0.01831%0.313CS..Hα-helixtrans-63.1-40.1176.4-166.3-116000112.4V17 V19 V37 L41 T42 V43 G44 F48 L49 I50 F64 M77 I93V17-F46 HydrophobicContact CG1-CZ 4.29Å; V19-F46 HydrophobicContact CG2-CE1 3.87Å; V19-F46 HydrophobicContact CG2-CZ 3.66Å; V37-F46 HydrophobicContact CG1-CD2 4.21Å; V37-F46 HydrophobicContact CG1-CE2 4.41Å; V37-F46 HydrophobicContact CG2-CD2 4.27Å; V37-F46 HydrophobicContact CG2-CE2 3.65Å; V37-F46 HydrophobicContact CG2-CZ 4.29Å; L41-F46 HydrophobicContact CD2-CB 4.02Å; L41-F46 HydrophobicContact CD2-CD2 3.93Å; L41-F46 HydrophobicContact CD2-CG 4.45Å; T42-F46 PolarHBondContact O-N 3.15Å; V43-F46 CarbonylContact O-C 3.58Å; V43-F46 WeakPolarHBondContact O-CA 3.07Å; V43-F46 WeakPolarHBondContact O-CB 3.3Å; V43-F46 PolarHBondContact O-N 3.21Å; V43-F46 VanDerWaalsContact O-N 3.08Å; G44-F46 VanDerWaalsContact C-N 3.34Å; F46-F48 VanDerWaalsContact C-N 3.3Å; F46-F48 PolarHBondContact O-N 3.16Å; F46-L49 HydrophobicContact CD2-CD1 4.46Å; F46-L49 PolarHBondContact O-N 3.25Å; F46-L49 VanDerWaalsContact O-N 3.16Å; F46-I50 HydrophobicContact CD1-CG1 4.3Å; F46-I50 HydrophobicContact CE1-CD1 4.3Å; F46-I50 HydrophobicContact CE1-CG1 3.95Å; F46-I50 HydrophobicContact CE2-CD1 4.29Å; F46-I50 HydrophobicContact CE2-CG1 4.42Å; F46-I50 HydrophobicContact CZ-CD1 3.91Å; F46-I50 HydrophobicContact CZ-CG1 4.03Å; F46-I50 PolarHBondContact O-N 2.96Å; F46-F64 HydrophobicContact CD1-CD2 4.31Å; F46-F64 AromaticContact CD1-CE2 3.55Å; F46-F64 HydrophobicContact CD1-CE2 3.55Å; F46-F64 HydrophobicContact CD1-CZ 4.08Å; F46-F64 HydrophobicContact CE1-CE2 4.18Å; F46-F64 HydrophobicContact CE1-CZ 4.37Å; F46-F64 HydrophobicContact CG-CE2 4.45Å; F46-M77 HydrophobicContact CB-CG 4.49Å; F46-M77 HydrophobicContact CB-SD 3.94Å; F46-M77 HydrophobicContact CD1-CE 3.95Å; F46-M77 HydrophobicContact CD1-SD 4.06Å; F46-M77 HydrophobicContact CD2-CE 4.48Å; F46-M77 HydrophobicContact CE1-CE 4.14Å; F46-M77 HydrophobicContact CG-CE 4.13Å; F46-M77 HydrophobicContact CG-SD 3.99Å; F46-M77 HydrophobicContact CZ-CE 4.48Å; F46-I93 HydrophobicContact CD1-CD1 4.43Å; F46-I93 HydrophobicContact CE1-CD1 3.98Å
47Y94.4Very high93.2Very high35 Ų3565.1 Ų65.114%0.13731%0.309CS..Hα-helixtrans-52.5-47.8170.6-91.7-76.2000111.8V43 G44 L49 I50 R51 L62 F64 T73V43-Y47 HydrophobicContact CG1-CD2 3.84Å; V43-Y47 HydrophobicContact CG1-CE2 3.67Å; V43-Y47 VanDerWaalsContact O-CD2 3.3Å; V43-Y47 WeakPolarHBondContact O-CD2 3.42Å; V43-Y47 PolarHBondContact O-N 2.79Å; G44-Y47 WeakPolarHBondContact O-CB 3.42Å; G44-Y47 PolarHBondContact O-N 2.86Å; Y47-L49 VanDerWaalsContact C-N 3.33Å; Y47-L49 PolarHBondContact O-N 2.88Å; Y47-I50 PolarHBondContact O-N 3.21Å; Y47-R51 VanDerWaalsContact O-CB 3.3Å; Y47-R51 WeakPolarHBondContact O-CB 3.21Å; Y47-R51 PolarHBondContact O-N 3.48Å; Y47-L62 HydrophobicContact CD1-CD2 4.03Å; Y47-L62 HydrophobicContact CD1-CG 4.14Å; Y47-L62 HydrophobicContact CE1-CG 4.22Å; Y47-L62 VanDerWaalsContact CE1-O 3.23Å; Y47-L62 WeakPolarHBondContact CE1-O 3.49Å; Y47-F64 HydrophobicContact CD1-CD1 4.37Å; Y47-F64 AromaticContact CD1-CD2 3.9Å; Y47-F64 HydrophobicContact CD1-CD2 3.9Å; Y47-F64 HydrophobicContact CD1-CE1 4.16Å; Y47-F64 AromaticContact CD1-CE2 3.65Å; Y47-F64 HydrophobicContact CD1-CE2 3.65Å; Y47-F64 HydrophobicContact CD1-CG 4.25Å; Y47-F64 AromaticContact CD1-CZ 3.79Å; Y47-F64 HydrophobicContact CD1-CZ 3.79Å; Y47-F64 AromaticContact CD2-CD2 3.8Å; Y47-F64 HydrophobicContact CD2-CD2 3.8Å; Y47-F64 AromaticContact CD2-CE2 3.8Å; Y47-F64 HydrophobicContact CD2-CE2 3.8Å; Y47-F64 HydrophobicContact CE1-CB 4.22Å; Y47-F64 AromaticContact CE1-CD1 3.91Å; Y47-F64 HydrophobicContact CE1-CD1 3.91Å; Y47-F64 AromaticContact CE1-CD2 3.65Å; Y47-F64 HydrophobicContact CE1-CD2 3.65Å; Y47-F64 HydrophobicContact CE1-CE1 4.15Å; Y47-F64 AromaticContact CE1-CE2 3.9Å; Y47-F64 HydrophobicContact CE1-CE2 3.9Å; Y47-F64 AromaticContact CE1-CG 3.64Å; Y47-F64 HydrophobicContact CE1-CG 3.64Å; Y47-F64 HydrophobicContact CE1-CZ 4.14Å; Y47-F64 HydrophobicContact CE2-CB 4.42Å; Y47-F64 AromaticContact CE2-CD2 3.56Å; Y47-F64 HydrophobicContact CE2-CD2 3.56Å; Y47-F64 HydrophobicContact CE2-CE2 4.06Å; Y47-F64 HydrophobicContact CE2-CG 4.16Å; Y47-F64 AromaticContact CG-CD2 3.97Å; Y47-F64 HydrophobicContact CG-CD2 3.97Å; Y47-F64 AromaticContact CG-CE2 3.59Å; Y47-F64 HydrophobicContact CG-CE2 3.59Å; Y47-F64 HydrophobicContact CG-CZ 4.1Å; Y47-F64 AromaticContact CZ-CD2 3.49Å; Y47-F64 VanDerWaalsContact CZ-CD2 3.49Å; Y47-F64 AromaticContact CZ-CG 3.61Å; Y47-F64 WeakPolarHBondContact OH-CB 3.42Å; Y47-F64 PolarHBondContact OH-N 2.81Å; Y47-T73 HydrophobicContact CD2-CG2 4.34Å; Y47-T73 HydrophobicContact CE2-CG2 4.16Å
48F92.9Very high92.9Very high144 Ų14470 Ų7063%0.63234%0.341SS*.Hα-helixtrans-62.5-40179.7-174.8-97.9000112.4G44 Q45 F46 K52G44-F48 PolarHBondContact O-N 2.94Å; Q45-F48 WeakPolarHBondContact O-CB 3.38Å; Q45-F48 PolarHBondContact O-N 2.96Å; F46-F48 VanDerWaalsContact C-N 3.3Å; F46-F48 PolarHBondContact O-N 3.16Å; F48-K52 PolarHBondContact O-N 3.24Å; F48-K52 VanDerWaalsContact O-N 3.16Å
49L93.5Very high92.7Very high87 Ų8774 Ų7446%0.45536%0.356SS..Hα-helixtrans-63.8-48.3177.3-67.4176.9000111.9L41 Q45 F46 Y47 K52 R53L41-L49 HydrophobicContact CD2-CD1 3.97Å; Q45-L49 PolarHBondContact O-N 3.16Å; Q45-L49 VanDerWaalsContact O-N 3.13Å; F46-L49 HydrophobicContact CD2-CD1 4.46Å; F46-L49 PolarHBondContact O-N 3.25Å; F46-L49 VanDerWaalsContact O-N 3.16Å; Y47-L49 VanDerWaalsContact C-N 3.33Å; Y47-L49 PolarHBondContact O-N 2.88Å; L49-K52 PolarHBondContact O-N 3.49Å; L49-R53 WeakPolarHBondContact O-CG 3.27Å; L49-R53 PolarHBondContact O-N 3.14Å
50I93.7Very high92.6Very high1 Ų175 Ų751%0.00536%0.36CS..Hα-helixtrans-64.3-45.1179.4-63.5-56.7000110.2V19 L30 Y35 F46 Y47 K52 R53 I54 L62 F64V19-I50 HydrophobicContact CG1-CD1 4.44Å; V19-I50 HydrophobicContact CG2-CD1 4.45Å; L30-I50 HydrophobicContact CD1-CD1 4.32Å; L30-I50 HydrophobicContact CD1-CG2 4.39Å; L30-I50 HydrophobicContact CD2-CG2 4.37Å; Y35-I50 HydrophobicContact CE1-CD1 4.37Å; Y35-I50 HydrophobicContact CE2-CD1 4.3Å; F46-I50 HydrophobicContact CD1-CG1 4.3Å; F46-I50 HydrophobicContact CE1-CD1 4.3Å; F46-I50 HydrophobicContact CE1-CG1 3.95Å; F46-I50 HydrophobicContact CE2-CD1 4.29Å; F46-I50 HydrophobicContact CE2-CG1 4.42Å; F46-I50 HydrophobicContact CZ-CD1 3.91Å; F46-I50 HydrophobicContact CZ-CG1 4.03Å; F46-I50 PolarHBondContact O-N 2.96Å; Y47-I50 PolarHBondContact O-N 3.21Å; I50-K52 PolarHBondContact O-N 2.89Å; I50-R53 WeakPolarHBondContact O-CA 3Å; I50-R53 WeakPolarHBondContact O-CB 3.02Å; I50-R53 PolarHBondContact O-N 2.96Å; I50-I54 WeakPolarHBondContact O-CG1 3.16Å; I50-I54 PolarHBondContact O-N 3.25Å; I50-L62 HydrophobicContact CG2-CD2 4.14Å; I50-F64 HydrophobicContact CB-CE1 4.27Å; I50-F64 HydrophobicContact CB-CZ 3.8Å; I50-F64 HydrophobicContact CG1-CE1 4.32Å; I50-F64 HydrophobicContact CG1-CZ 3.68Å; I50-F64 HydrophobicContact CG2-CE1 4.08Å; I50-F64 HydrophobicContact CG2-CZ 4.13Å
51R93.1Very high92.6Very high73 Ų7371.5 Ų71.528%0.27535%0.348SS..Hα-helixtrans-51.7-43.3176.5-163.5-176.7-163.5147.820.8112.5Y47 R53 H55 L56 R57 P58 D60 L62Y47-R51 VanDerWaalsContact O-CB 3.3Å; Y47-R51 WeakPolarHBondContact O-CB 3.21Å; Y47-R51 PolarHBondContact O-N 3.48Å; R51-R53 VanDerWaalsContact C-N 3.34Å; R51-R53 PolarHBondContact O-N 3.06Å; R51-H55 PolarHBondContact O-N 3.48Å; R51-L56 HydrophobicContact CG-CB 3.82Å; R51-L56 HydrophobicContact CG-CD2 4.16Å; R51-L56 HydrophobicContact CG-CG 4.44Å; R51-L56 PolarHBondContact O-N 2.89Å; R51-R57 PolarHBondContact NE-O 3.12Å; R51-R57 PolarHBondContact NH2-O 2.93Å; R51-P58 VanDerWaalsContact CZ-CA 3.44Å; R51-P58 PolarHBondContact NH2-O 3.09Å; R51-D60 PolarHBondContact NH2-O 3.36Å; R51-L62 HydrophobicContact CB-CD2 4.45Å
52K92.3Very high92.5Very high154 Ų15471.1 Ų71.167%0.6735%0.346SS*.Hα-helixtrans-66.9-32.5177.1-173.1172.8-177.4177.30112.8F48 L49 I50F48-K52 PolarHBondContact O-N 3.24Å; F48-K52 VanDerWaalsContact O-N 3.16Å; L49-K52 PolarHBondContact O-N 3.49Å; I50-K52 PolarHBondContact O-N 2.89Å
53R92.6Very high92.4Very high129 Ų12971.9 Ų71.949%0.48735%0.346SS..Hα-helixtrans-73.3-42.6179.2-67.9-63.7-175.988.54.3112.6L30 L49 I50 R51 H55L30-R53 HydrophobicContact CD2-CB 3.67Å; L49-R53 WeakPolarHBondContact O-CG 3.27Å; L49-R53 PolarHBondContact O-N 3.14Å; I50-R53 WeakPolarHBondContact O-CA 3Å; I50-R53 WeakPolarHBondContact O-CB 3.02Å; I50-R53 PolarHBondContact O-N 2.96Å; R51-R53 VanDerWaalsContact C-N 3.34Å; R51-R53 PolarHBondContact O-N 3.06Å; R53-H55 PolarHBondContact O-N 2.8Å; R53-H55 PolarHBondContact O-ND1 3.09Å; R53-H55 VanDerWaalsContact O-ND1 3.15Å
54I92.3Very high92.3Very high16 Ų1671.9 Ų71.98%0.08235%0.346CS..THydrogen-bonded Turntrans-81.65.1176.555.1165.5000113.4I27 G28 L30 I50 L56 L62 Y95I27-I54 HydrophobicContact CD1-CD1 3.48Å; I27-I54 VanDerWaalsContact CD1-CD1 3.48Å; I27-I54 HydrophobicContact CG1-CD1 3.73Å; G28-I54 WeakPolarHBondContact O-CG2 2.96Å; L30-I54 HydrophobicContact CD2-CG2 3.46Å; L30-I54 VanDerWaalsContact CD2-CG2 3.46Å; L30-I54 HydrophobicContact CG-CG2 3.8Å; I50-I54 WeakPolarHBondContact O-CG1 3.16Å; I50-I54 PolarHBondContact O-N 3.25Å; I54-L56 HydrophobicContact CD1-CB 3.64Å; I54-L56 HydrophobicContact CD1-CD1 4.33Å; I54-L56 HydrophobicContact CD1-CD2 4.01Å; I54-L56 HydrophobicContact CD1-CG 4.2Å; I54-L56 HydrophobicContact CG1-CB 3.74Å; I54-L56 PolarHBondContact O-N 2.91Å; I54-L56 VanDerWaalsContact O-N 3.15Å; I54-L62 HydrophobicContact CD1-CD1 4.22Å; I54-L62 HydrophobicContact CD1-CD2 4.45Å; I54-Y95 HydrophobicContact CG2-CE2 4.47Å
55H90.4Very high92.1Very high166 Ų16670.9 Ų70.977%0.76933%0.333SS*.THydrogen-bonded Turntrans5135.8-177-59.682.2000113.2R51 R53R51-H55 PolarHBondContact O-N 3.48Å; R53-H55 PolarHBondContact O-N 2.8Å; R53-H55 PolarHBondContact O-ND1 3.09Å; R53-H55 VanDerWaalsContact O-ND1 3.15Å
56L91.7Very high91.9Very high27 Ų2766.1 Ų66.114%0.14131%0.311CS..  trans-76.1134.6-174.9-171.974.8000110.6I27 R51 I54 D60 L62I27-L56 HydrophobicContact CD1-CD1 3.72Å; I27-L56 HydrophobicContact CD1-CD2 3.88Å; I27-L56 HydrophobicContact CD1-CG 4.37Å; I27-L56 HydrophobicContact CG1-CD1 3.83Å; R51-L56 HydrophobicContact CG-CB 3.82Å; R51-L56 HydrophobicContact CG-CD2 4.16Å; R51-L56 HydrophobicContact CG-CG 4.44Å; R51-L56 PolarHBondContact O-N 2.89Å; I54-L56 HydrophobicContact CD1-CB 3.64Å; I54-L56 HydrophobicContact CD1-CD1 4.33Å; I54-L56 HydrophobicContact CD1-CD2 4.01Å; I54-L56 HydrophobicContact CD1-CG 4.2Å; I54-L56 HydrophobicContact CG1-CB 3.74Å; I54-L56 PolarHBondContact O-N 2.91Å; I54-L56 VanDerWaalsContact O-N 3.15Å; L56-D60 HydrophobicContact CD1-CB 3.5Å; L56-D60 VanDerWaalsContact CD1-CB 3.5Å; L56-D60 HydrophobicContact CD2-CB 4.12Å; L56-D60 HydrophobicContact CG-CB 3.71Å; L56-L62 HydrophobicContact CD2-CB 3.83Å
57R90.1Very high91.5Very high135 Ų13568.9 Ų68.951%0.50933%0.326SS..  trans-69.2152.4-178-51.8176-65.2161.7-8.3111.1R51 E59 D60R51-R57 PolarHBondContact NE-O 3.12Å; R51-R57 PolarHBondContact NH2-O 2.93Å; R57-E59 HydrophobicContact CB-CG 4.1Å; R57-E59 VanDerWaalsContact CB-OE2 3.29Å; R57-E59 WeakPolarHBondContact CB-OE2 3.14Å; R57-E59 VanDerWaalsContact CD-OE1 3.23Å; R57-E59 WeakPolarHBondContact CD-OE1 3.34Å; R57-E59 IonicContact CZ-OE1 2.97Å; R57-E59 VanDerWaalsContact CZ-OE1 3.24Å; R57-E59 IonicContact NE-OE1 3.54Å; R57-E59 PolarHBondContact NE-OE1 2.75Å; R57-E59 IonicContact NH1-OE1 2.75Å; R57-E59 PolarHBondContact NH1-OE1 3.3Å; R57-E59 PolarHBondContact O-N 3.15Å; R57-D60 WeakPolarHBondContact CB-OD2 3.47Å; R57-D60 IonicContact CZ-OD1 3.24Å; R57-D60 IonicContact CZ-OD2 3.5Å; R57-D60 IonicContact NE-OD1 3.32Å; R57-D60 IonicContact NE-OD2 3.58Å; R57-D60 PolarHBondContact NE-OD2 3.02Å; R57-D60 IonicContact NH2-OD1 2.84Å; R57-D60 PolarHBondContact NH2-OD1 3.36Å; R57-D60 IonicContact NH2-OD2 2.76Å; R57-D60 PolarHBondContact NH2-OD2 3.03Å; R57-D60 PolarHBondContact O-N 2.97Å; R57-D60 VanDerWaalsContact O-N 3.14Å
58P86.6Confident90.9Very high108 Ų10870.8 Ų70.870%0.70134%0.338SS*.THydrogen-bonded Turntrans-56-26.4178.1-27.436.7000115.4R51R51-P58 VanDerWaalsContact CZ-CA 3.44Å; R51-P58 PolarHBondContact NH2-O 3.09Å
59E88.9Confident90.6Very high123 Ų12368.2 Ų68.258%0.57533%0.334SS*.THydrogen-bonded Turntrans-81.1-25.4178.160.6-92.6-149.900114.3R57R57-E59 HydrophobicContact CB-CG 4.1Å; R57-E59 VanDerWaalsContact CB-OE2 3.29Å; R57-E59 WeakPolarHBondContact CB-OE2 3.14Å; R57-E59 VanDerWaalsContact CD-OE1 3.23Å; R57-E59 WeakPolarHBondContact CD-OE1 3.34Å; R57-E59 IonicContact CZ-OE1 2.97Å; R57-E59 VanDerWaalsContact CZ-OE1 3.24Å; R57-E59 IonicContact NE-OE1 3.54Å; R57-E59 PolarHBondContact NE-OE1 2.75Å; R57-E59 IonicContact NH1-OE1 2.75Å; R57-E59 PolarHBondContact NH1-OE1 3.3Å; R57-E59 PolarHBondContact O-N 3.15Å
60D90.5Very high90.5Very high49 Ų4967.7 Ų67.726%0.26233%0.331SS..SBendtrans-80.6139.1-175.6-60.4-40.4000110.5R51 L56 R57R51-D60 PolarHBondContact NH2-O 3.36Å; L56-D60 HydrophobicContact CD1-CB 3.5Å; L56-D60 VanDerWaalsContact CD1-CB 3.5Å; L56-D60 HydrophobicContact CD2-CB 4.12Å; L56-D60 HydrophobicContact CG-CB 3.71Å; R57-D60 WeakPolarHBondContact CB-OD2 3.47Å; R57-D60 IonicContact CZ-OD1 3.24Å; R57-D60 IonicContact CZ-OD2 3.5Å; R57-D60 IonicContact NE-OD1 3.32Å; R57-D60 IonicContact NE-OD2 3.58Å; R57-D60 PolarHBondContact NE-OD2 3.02Å; R57-D60 IonicContact NH2-OD1 2.84Å; R57-D60 PolarHBondContact NH2-OD1 3.36Å; R57-D60 IonicContact NH2-OD2 2.76Å; R57-D60 PolarHBondContact NH2-OD2 3.03Å; R57-D60 PolarHBondContact O-N 2.97Å; R57-D60 VanDerWaalsContact O-N 3.14Å
61A90.3Very high90.5Very high47 Ų4768.2 Ų68.239%0.38833%0.334SS..  trans-78.7146.6-179.300000111.9F63A61-F63 HydrophobicContact CB-CD2 4.43Å; A61-F63 HydrophobicContact CB-CE2 3.66Å; A61-F63 HydrophobicContact CB-CZ 4.18Å
62L92.3Very high90.6Very high22 Ų2268.6 Ų68.612%0.11535%0.346CS..  trans-139.5125.1173.7179.666.3000107.9I27 Y47 I50 R51 I54 L56 F64 Y95I27-L62 HydrophobicContact CD1-CD1 3.7Å; Y47-L62 HydrophobicContact CD1-CD2 4.03Å; Y47-L62 HydrophobicContact CD1-CG 4.14Å; Y47-L62 HydrophobicContact CE1-CG 4.22Å; Y47-L62 VanDerWaalsContact CE1-O 3.23Å; Y47-L62 WeakPolarHBondContact CE1-O 3.49Å; I50-L62 HydrophobicContact CG2-CD2 4.14Å; R51-L62 HydrophobicContact CB-CD2 4.45Å; I54-L62 HydrophobicContact CD1-CD1 4.22Å; I54-L62 HydrophobicContact CD1-CD2 4.45Å; L56-L62 HydrophobicContact CD2-CB 3.83Å; L62-F64 HydrophobicContact CD1-CE1 4.4Å; L62-F64 HydrophobicContact CD2-CE1 4.03Å; L62-F64 HydrophobicContact CD2-CZ 4.33Å; L62-F64 HydrophobicContact CG-CE1 4.16Å; L62-Y95 HydrophobicContact CD1-CD2 3.73Å; L62-Y95 HydrophobicContact CD1-CG 4.26Å
63F93.1Very high90.6Very high58 Ų5865.4 Ų65.425%0.25434%0.34SS..EExtended strand (participates in β ladder)trans-122.7134177.4-60.7-79.6000109.7A61 F65 I70 Y95 S96 E98 N99A61-F63 HydrophobicContact CB-CD2 4.43Å; A61-F63 HydrophobicContact CB-CE2 3.66Å; A61-F63 HydrophobicContact CB-CZ 4.18Å; F63-F65 HydrophobicContact CB-CE2 3.81Å; F63-F65 HydrophobicContact CB-CZ 4.1Å; F63-I70 HydrophobicContact CD1-CD1 4.34Å; F63-Y95 CarbonylContact O-C 3.59Å; F63-Y95 VanDerWaalsContact O-CA 3.22Å; F63-Y95 WeakPolarHBondContact O-CA 3.46Å; F63-S96 PolarHBondContact N-O 3.42Å; F63-S96 PolarHBondContact O-N 3.01Å; F63-E98 VanDerWaalsContact CD2-C 3.47Å; F63-N99 HydrophobicContact CD1-CB 4.11Å; F63-N99 HydrophobicContact CD2-CB 4.12Å; F63-N99 HydrophobicContact CE1-CB 3.98Å; F63-N99 HydrophobicContact CE2-CB 3.99Å; F63-N99 HydrophobicContact CG-CB 4.17Å; F63-N99 HydrophobicContact CZ-CB 3.93Å
64F93.6Very high90.7Very high1 Ų164.2 Ų64.20%0.00435%0.352CS..EExtended strand (participates in β ladder)trans-97146.9168.7-65.6-21.8000110.7V43 F46 Y47 I50 L62 I70 P71 I93 A94V43-F64 HydrophobicContact CG1-CD2 4.46Å; F46-F64 HydrophobicContact CD1-CD2 4.31Å; F46-F64 AromaticContact CD1-CE2 3.55Å; F46-F64 HydrophobicContact CD1-CE2 3.55Å; F46-F64 HydrophobicContact CD1-CZ 4.08Å; F46-F64 HydrophobicContact CE1-CE2 4.18Å; F46-F64 HydrophobicContact CE1-CZ 4.37Å; F46-F64 HydrophobicContact CG-CE2 4.45Å; Y47-F64 HydrophobicContact CD1-CD1 4.37Å; Y47-F64 AromaticContact CD1-CD2 3.9Å; Y47-F64 HydrophobicContact CD1-CD2 3.9Å; Y47-F64 HydrophobicContact CD1-CE1 4.16Å; Y47-F64 AromaticContact CD1-CE2 3.65Å; Y47-F64 HydrophobicContact CD1-CE2 3.65Å; Y47-F64 HydrophobicContact CD1-CG 4.25Å; Y47-F64 AromaticContact CD1-CZ 3.79Å; Y47-F64 HydrophobicContact CD1-CZ 3.79Å; Y47-F64 AromaticContact CD2-CD2 3.8Å; Y47-F64 HydrophobicContact CD2-CD2 3.8Å; Y47-F64 AromaticContact CD2-CE2 3.8Å; Y47-F64 HydrophobicContact CD2-CE2 3.8Å; Y47-F64 HydrophobicContact CE1-CB 4.22Å; Y47-F64 AromaticContact CE1-CD1 3.91Å; Y47-F64 HydrophobicContact CE1-CD1 3.91Å; Y47-F64 AromaticContact CE1-CD2 3.65Å; Y47-F64 HydrophobicContact CE1-CD2 3.65Å; Y47-F64 HydrophobicContact CE1-CE1 4.15Å; Y47-F64 AromaticContact CE1-CE2 3.9Å; Y47-F64 HydrophobicContact CE1-CE2 3.9Å; Y47-F64 AromaticContact CE1-CG 3.64Å; Y47-F64 HydrophobicContact CE1-CG 3.64Å; Y47-F64 HydrophobicContact CE1-CZ 4.14Å; Y47-F64 HydrophobicContact CE2-CB 4.42Å; Y47-F64 AromaticContact CE2-CD2 3.56Å; Y47-F64 HydrophobicContact CE2-CD2 3.56Å; Y47-F64 HydrophobicContact CE2-CE2 4.06Å; Y47-F64 HydrophobicContact CE2-CG 4.16Å; Y47-F64 AromaticContact CG-CD2 3.97Å; Y47-F64 HydrophobicContact CG-CD2 3.97Å; Y47-F64 AromaticContact CG-CE2 3.59Å; Y47-F64 HydrophobicContact CG-CE2 3.59Å; Y47-F64 HydrophobicContact CG-CZ 4.1Å; Y47-F64 AromaticContact CZ-CD2 3.49Å; Y47-F64 VanDerWaalsContact CZ-CD2 3.49Å; Y47-F64 AromaticContact CZ-CG 3.61Å; Y47-F64 WeakPolarHBondContact OH-CB 3.42Å; Y47-F64 PolarHBondContact OH-N 2.81Å; I50-F64 HydrophobicContact CB-CE1 4.27Å; I50-F64 HydrophobicContact CB-CZ 3.8Å; I50-F64 HydrophobicContact CG1-CE1 4.32Å; I50-F64 HydrophobicContact CG1-CZ 3.68Å; I50-F64 HydrophobicContact CG2-CE1 4.08Å; I50-F64 HydrophobicContact CG2-CZ 4.13Å; L62-F64 HydrophobicContact CD1-CE1 4.4Å; L62-F64 HydrophobicContact CD2-CE1 4.03Å; L62-F64 HydrophobicContact CD2-CZ 4.33Å; L62-F64 HydrophobicContact CG-CE1 4.16Å; F64-I70 WeakPolarHBondContact O-CA 3.1Å; F64-P71 HydrophobicContact CB-CG 4.21Å; F64-P71 WeakPolarHBondContact O-CD 3.39Å; F64-I93 HydrophobicContact CB-CG2 3.8Å; F64-I93 HydrophobicContact CD1-CG2 4.12Å; F64-I93 HydrophobicContact CD2-CG2 4.37Å; F64-I93 HydrophobicContact CG-CG2 3.86Å; F64-A94 CarbonylContact C-O 3.55Å; F64-A94 WeakPolarHBondContact CA-O 3.35Å
65F91.9Very high90.8Very high8 Ų864.5 Ų64.54%0.03536%0.356CS..EExtended strand (participates in β ladder)trans-129.8124.7173.9-60-90.4000108.1F63 V69 I70 I93 A94 Y101 A104F63-F65 HydrophobicContact CB-CE2 3.81Å; F63-F65 HydrophobicContact CB-CZ 4.1Å; F65-V69 WeakPolarHBondContact CA-O 3.2Å; F65-I70 HydrophobicContact CD1-CG1 3.99Å; F65-I70 HydrophobicContact CE1-CD1 4.15Å; F65-I70 HydrophobicContact CE1-CG1 3.74Å; F65-I70 HydrophobicContact CZ-CG1 4.39Å; F65-I93 WeakPolarHBondContact O-CA 3.42Å; F65-A94 HydrophobicContact CB-CB 4.29Å; F65-A94 PolarHBondContact N-O 3.23Å; F65-A94 PolarHBondContact O-N 3.42Å; F65-Y101 HydrophobicContact CD1-CD2 4.44Å; F65-A104 HydrophobicContact CB-CB 4.34Å; F65-A104 HydrophobicContact CD2-CB 3.85Å; F65-A104 HydrophobicContact CE2-CB 4.3Å; F65-A104 HydrophobicContact CG-CB 4Å
66V91.3Very high91Very high2 Ų258.8 Ų58.81%0.01233%0.333CS..BIsolated β-bridgetrans-124121.7175.8-179.60000106.4N68 V69 P71 L80 H84 L91 I93V66-N68 PolarHBondContact O-N 3.21Å; V66-V69 PolarHBondContact N-O 3.35Å; V66-V69 PolarHBondContact O-N 2.92Å; V66-P71 HydrophobicContact CG2-CG 4.03Å; V66-L80 HydrophobicContact CB-CD2 4.44Å; V66-L80 HydrophobicContact CG1-CD2 4.49Å; V66-L80 HydrophobicContact CG2-CD2 3.9Å; V66-H84 HydrophobicContact CG1-CB 3.68Å; V66-L91 HydrophobicContact CG1-CD1 3.65Å; V66-I93 HydrophobicContact CG2-CB 4.34Å; V66-I93 HydrophobicContact CG2-CD1 4.13Å; V66-I93 HydrophobicContact CG2-CG1 3.8Å; V66-I93 HydrophobicContact CG2-CG2 4.15Å
67N86.3Confident91.1Very high62 Ų6257.6 Ų57.633%0.33233%0.327SS..THydrogen-bonded Turntrans38.953.3-171.3-71.8-3.2000110.9V69N67-V69 PolarHBondContact O-N 3.01Å; N67-V69 VanDerWaalsContact O-N 3.14Å
68N82.2Confident91.3Very high74 Ų7451.5 Ų51.540%0.39631%0.306SS..THydrogen-bonded Turntrans716.9170.7-69.6-17.7000116.6V66 Y101V66-N68 PolarHBondContact O-N 3.21Å; N68-Y101 HydrophobicContact CB-CD2 3.94Å; N68-Y101 HydrophobicContact CB-CE1 4.36Å; N68-Y101 HydrophobicContact CB-CE2 2.94Å; N68-Y101 WeakPolarHBondContact CB-OH 3.43Å; N68-Y101 PolarHBondContact ND2-OH 3.45Å; N68-Y101 WeakPolarHBondContact O-CD2 3.45Å; N68-Y101 WeakPolarHBondContact O-CE2 3.23Å; N68-Y101 VanDerWaalsContact OD1-CE2 3.27Å; N68-Y101 WeakPolarHBondContact OD1-CE2 3.3Å
69V86.8Confident91.5Very high91 Ų9148.6 Ų48.655%0.55229%0.289SS*.BIsolated β-bridgetrans-122.7146.4179.7-178.30000109.7F65 V66 N67 P71F65-V69 WeakPolarHBondContact CA-O 3.2Å; V66-V69 PolarHBondContact N-O 3.35Å; V66-V69 PolarHBondContact O-N 2.92Å; N67-V69 PolarHBondContact O-N 3.01Å; N67-V69 VanDerWaalsContact O-N 3.14Å; V69-P71 WeakPolarHBondContact O-CD 3.42Å
70I91.3Very high91.7Very high76 Ų7643.1 Ų43.139%0.3926%0.263SS..PPolyproline II helixtrans-77.2116.5172.5-60.6175.3000107.9F63 F64 F65F63-I70 HydrophobicContact CD1-CD1 4.34Å; F64-I70 WeakPolarHBondContact O-CA 3.1Å; F65-I70 HydrophobicContact CD1-CG1 3.99Å; F65-I70 HydrophobicContact CE1-CD1 4.15Å; F65-I70 HydrophobicContact CE1-CG1 3.74Å; F65-I70 HydrophobicContact CZ-CG1 4.39Å
71P93.4Very high91.8Very high11 Ų1143 Ų437%0.07126%0.259CS..PPolyproline II helixtrans-70.1144.2-178.328.5-34.6000111.5V43 F64 V66 V69 T73 L80V43-P71 HydrophobicContact CG1-CB 4.29Å; V43-P71 HydrophobicContact CG1-CG 3.92Å; V43-P71 HydrophobicContact CG2-CB 4.37Å; F64-P71 HydrophobicContact CB-CG 4.21Å; F64-P71 WeakPolarHBondContact O-CD 3.39Å; V66-P71 HydrophobicContact CG2-CG 4.03Å; V69-P71 WeakPolarHBondContact O-CD 3.42Å; P71-T73 PolarHBondContact O-N 3.16Å; P71-L80 HydrophobicContact CB-CD1 4.42Å; P71-L80 HydrophobicContact CB-CD2 3.42Å; P71-L80 VanDerWaalsContact CB-CD2 3.42Å; P71-L80 HydrophobicContact CB-CG 4.19Å; P71-L80 HydrophobicContact CG-CD2 4Å
72P94.3Very high91.8Very high81 Ų8147.3 Ų47.353%0.52627%0.271SS..PPolyproline II helixtrans-64.9133.2175.524.6-30.8000110.9S74 A75P72-S74 PolarHBondContact O-N 3.11Å; P72-A75 HydrophobicContact CG-CB 3.8Å; P72-A75 WeakPolarHBondContact O-CB 3.26Å; P72-A75 PolarHBondContact O-N 2.85Å; P72-A75 VanDerWaalsContact O-N 3.09Å
73T93.2Very high91.7Very high88 Ų8853 Ų5354%0.5430%0.297SS..THydrogen-bonded Turntrans-65.5-24.4-17651.60000113.9G44 Y47 P71G44-T73 PolarHBondContact N-O 2.78Å; Y47-T73 HydrophobicContact CD2-CG2 4.34Å; Y47-T73 HydrophobicContact CE2-CG2 4.16Å; P71-T73 PolarHBondContact O-N 3.16Å
74S93.9Very high91.5Very high104 Ų10453 Ų5373%0.72730%0.298SS*.THydrogen-bonded Turntrans-78.5-17.9176.453.60000113.7P72P72-S74 PolarHBondContact O-N 3.11Å
75A94.5Very high91.2Very high22 Ų2256.8 Ų56.818%0.18232%0.315CS..SBendtrans-72.3156.2178.700000111.9T42 V43 P72 L80T42-A75 CarbonylContact C-O 3.51Å; T42-A75 WeakPolarHBondContact CA-O 3.47Å; V43-A75 PolarHBondContact N-O 2.96Å; P72-A75 HydrophobicContact CG-CB 3.8Å; P72-A75 WeakPolarHBondContact O-CB 3.26Å; P72-A75 PolarHBondContact O-N 2.85Å; P72-A75 VanDerWaalsContact O-N 3.09Å; A75-L80 HydrophobicContact CB-CD1 3.67Å
76T94.9Very high91.1Very high46 Ų4660.2 Ų60.228%0.28233%0.332SS..BIsolated β-bridgetrans-88.8148.5175.173.90000110.5S39 L41 G78 S79 L80S39-T76 WeakPolarHBondContact O-CB 3.36Å; L41-T76 CarbonylContact O-C 3.5Å; L41-T76 WeakPolarHBondContact O-CA 3.44Å; T76-G78 PolarHBondContact O-N 3.09Å; T76-S79 WeakPolarHBondContact O-CB 3.43Å; T76-S79 PolarHBondContact O-N 3.15Å; T76-S79 VanDerWaalsContact O-N 3.09Å; T76-S79 PolarHBondContact OG1-N 3.23Å; T76-S79 VanDerWaalsContact OG1-N 3.15Å; T76-S79 PolarHBondContact OG1-OG 3.15Å; T76-L80 WeakPolarHBondContact O-CD1 3.4Å; T76-L80 PolarHBondContact O-N 3.35Å; T76-L80 VanDerWaalsContact O-N 3.12Å
77M94.6Very high91Very high1 Ų169 Ų691%0.00537%0.373CS..Hα-helixtrans-58.5-33175.7-67.8-62.4-62.700111.4I15 V17 V37 L41 V43 F46 L80 Y81 L91 I93I15-M77 HydrophobicContact CD1-CB 3.73Å; I15-M77 HydrophobicContact CD1-CE 4.27Å; I15-M77 WeakPolarHBondContact CD1-O 3.12Å; V17-M77 HydrophobicContact CG1-CE 4.28Å; V17-M77 HydrophobicContact CG2-CE 3.93Å; V37-M77 HydrophobicContact CG1-CB 4.22Å; V37-M77 HydrophobicContact CG1-CE 4.42Å; V37-M77 HydrophobicContact CG1-CG 3.92Å; L41-M77 HydrophobicContact CB-CG 4.2Å; L41-M77 HydrophobicContact CD2-CG 4.44Å; L41-M77 VanDerWaalsContact O-CG 3.3Å; L41-M77 WeakPolarHBondContact O-CG 3.37Å; L41-M77 PolarHBondContact O-N 3.23Å; V43-M77 HydrophobicContact CG2-SD 4Å; F46-M77 HydrophobicContact CB-CG 4.49Å; F46-M77 HydrophobicContact CB-SD 3.94Å; F46-M77 HydrophobicContact CD1-CE 3.95Å; F46-M77 HydrophobicContact CD1-SD 4.06Å; F46-M77 HydrophobicContact CD2-CE 4.48Å; F46-M77 HydrophobicContact CE1-CE 4.14Å; F46-M77 HydrophobicContact CG-CE 4.13Å; F46-M77 HydrophobicContact CG-SD 3.99Å; F46-M77 HydrophobicContact CZ-CE 4.48Å; M77-L80 PolarHBondContact O-N 3.46Å; M77-Y81 WeakPolarHBondContact O-CB 3.46Å; M77-Y81 PolarHBondContact O-N 3.25Å; M77-L91 HydrophobicContact CE-CD2 4.15Å; M77-I93 HydrophobicContact CE-CD1 3.8Å
78G92.8Very high91.1Very high8 Ų869.2 Ų69.28%0.08237%0.374CS..Hα-helixtrans-64.3-42.417400000113.5S39 T76 Y81 Q82S39-G78 WeakPolarHBondContact O-CA 3.32Å; S39-G78 PolarHBondContact O-N 2.9Å; T76-G78 PolarHBondContact O-N 3.09Å; G78-Y81 PolarHBondContact O-N 2.98Å; G78-Q82 WeakPolarHBondContact O-CG 3.22Å; G78-Q82 PolarHBondContact O-N 2.87Å
79S92Very high91.4Very high47 Ų4773.2 Ų73.233%0.32938%0.384SS..Hα-helixtrans-62.6-46.7174.9-57.90000111.2T76 Y81 Q82 E83T76-S79 WeakPolarHBondContact O-CB 3.43Å; T76-S79 PolarHBondContact O-N 3.15Å; T76-S79 VanDerWaalsContact O-N 3.09Å; T76-S79 PolarHBondContact OG1-N 3.23Å; T76-S79 VanDerWaalsContact OG1-N 3.15Å; T76-S79 PolarHBondContact OG1-OG 3.15Å; S79-Y81 VanDerWaalsContact C-N 3.29Å; S79-Y81 PolarHBondContact O-N 3.07Å; S79-Q82 PolarHBondContact O-N 3.22Å; S79-E83 WeakPolarHBondContact O-CG 3.34Å; S79-E83 PolarHBondContact O-N 3.19Å; S79-E83 VanDerWaalsContact O-N 3.15Å
80L93.1Very high91.6Very high7 Ų770.6 Ų70.64%0.03737%0.366CS..Hα-helixtrans-58.5-43.2175.3-86.383.2000111.9V43 V66 P71 A75 T76 M77 E83 H84 L91V43-L80 HydrophobicContact CG2-CD1 3.32Å; V43-L80 HydrophobicContact CG2-CD2 3.87Å; V43-L80 HydrophobicContact CG2-CG 4.24Å; V66-L80 HydrophobicContact CB-CD2 4.44Å; V66-L80 HydrophobicContact CG1-CD2 4.49Å; V66-L80 HydrophobicContact CG2-CD2 3.9Å; P71-L80 HydrophobicContact CB-CD1 4.42Å; P71-L80 HydrophobicContact CB-CD2 3.42Å; P71-L80 VanDerWaalsContact CB-CD2 3.42Å; P71-L80 HydrophobicContact CB-CG 4.19Å; P71-L80 HydrophobicContact CG-CD2 4Å; A75-L80 HydrophobicContact CB-CD1 3.67Å; T76-L80 WeakPolarHBondContact O-CD1 3.4Å; T76-L80 PolarHBondContact O-N 3.35Å; T76-L80 VanDerWaalsContact O-N 3.12Å; M77-L80 PolarHBondContact O-N 3.46Å; L80-E83 PolarHBondContact O-N 3.15Å; L80-H84 WeakPolarHBondContact O-CB 3.48Å; L80-H84 PolarHBondContact O-N 3.36Å; L80-L91 HydrophobicContact CB-CD2 4.07Å
81Y92.7Very high91.7Very high46 Ų4667 Ų6718%0.1835%0.347CS..Hα-helixtrans-61.3-44.9178.4-180-87.9000111.2I15 M77 G78 S79 E83 H85 Y89 L91I15-Y81 HydrophobicContact CB-CD2 3.81Å; I15-Y81 HydrophobicContact CB-CE2 4.34Å; I15-Y81 HydrophobicContact CB-CG 4.05Å; I15-Y81 HydrophobicContact CD1-CD2 4.34Å; I15-Y81 HydrophobicContact CD1-CG 4.43Å; I15-Y81 HydrophobicContact CG2-CD1 4.04Å; I15-Y81 HydrophobicContact CG2-CD2 3.99Å; I15-Y81 HydrophobicContact CG2-CG 3.71Å; M77-Y81 WeakPolarHBondContact O-CB 3.46Å; M77-Y81 PolarHBondContact O-N 3.25Å; G78-Y81 PolarHBondContact O-N 2.98Å; S79-Y81 VanDerWaalsContact C-N 3.29Å; S79-Y81 PolarHBondContact O-N 3.07Å; Y81-E83 VanDerWaalsContact C-N 3.29Å; Y81-E83 PolarHBondContact O-N 3.5Å; Y81-H85 HydrophobicContact CD1-CB 4.42Å; Y81-H85 HydrophobicContact CD2-CB 4.12Å; Y81-H85 HydrophobicContact CE1-CB 4.23Å; Y81-H85 HydrophobicContact CE2-CB 3.92Å; Y81-H85 HydrophobicContact CG-CB 4.36Å; Y81-H85 WeakPolarHBondContact O-CB 3.34Å; Y81-H85 VanDerWaalsContact O-CG 3.29Å; Y81-H85 PolarHBondContact O-N 3.34Å; Y81-H85 PolarHBondContact O-ND1 3.16Å; Y81-Y89 PolarHBondContact OH-O 3.43Å; Y81-L91 HydrophobicContact CD2-CB 3.97Å
82Q90.2Very high91.7Very high139 Ų13970 Ų7065%0.6536%0.358SS*.Hα-helixtrans-63-36179.6-72.2175.29.500112.9G78 S79 H85G78-Q82 WeakPolarHBondContact O-CG 3.22Å; G78-Q82 PolarHBondContact O-N 2.87Å; S79-Q82 PolarHBondContact O-N 3.22Å; Q82-H85 PolarHBondContact O-CE1 2.81Å; Q82-H85 PolarHBondContact O-ND1 3.06Å
83E90.2Very high91.7Very high141 Ų14166.2 Ų66.266%0.65933%0.333SS*.Hα-helixtrans-84.9-30.1-177-68.1172.7-159.600113.8S79 L80 Y81S79-E83 WeakPolarHBondContact O-CG 3.34Å; S79-E83 PolarHBondContact O-N 3.19Å; S79-E83 VanDerWaalsContact O-N 3.15Å; L80-E83 PolarHBondContact O-N 3.15Å; Y81-E83 VanDerWaalsContact C-N 3.29Å; Y81-E83 PolarHBondContact O-N 3.5Å
84H89.2Confident91.6Very high57 Ų5762.4 Ų62.426%0.26431%0.31SS..Hα-helixtrans-134.216.1-167.1-60.3-56.8000114.7V66 L80 L91V66-H84 HydrophobicContact CG1-CB 3.68Å; L80-H84 WeakPolarHBondContact O-CB 3.48Å; L80-H84 PolarHBondContact O-N 3.36Å; H84-L91 HydrophobicContact CB-CD1 4.01Å
85H87.4Confident91.6Very high81 Ų8157.5 Ų57.538%0.37528%0.276SS..  trans-66.2148.6168.966.5-74000110.8Y81 Q82Y81-H85 HydrophobicContact CD1-CB 4.42Å; Y81-H85 HydrophobicContact CD2-CB 4.12Å; Y81-H85 HydrophobicContact CE1-CB 4.23Å; Y81-H85 HydrophobicContact CE2-CB 3.92Å; Y81-H85 HydrophobicContact CG-CB 4.36Å; Y81-H85 WeakPolarHBondContact O-CB 3.34Å; Y81-H85 VanDerWaalsContact O-CG 3.29Å; Y81-H85 PolarHBondContact O-N 3.34Å; Y81-H85 PolarHBondContact O-ND1 3.16Å; Q82-H85 PolarHBondContact O-CE1 2.81Å; Q82-H85 PolarHBondContact O-ND1 3.06Å
86E89.2Confident91.5Very high81 Ų8156.6 Ų56.638%0.37927%0.268SS..  trans-91.3170.7172.6-67.3-63148.100111D88 Y89 F90 Y92E86-D88 WeakPolarHBondContact CB-OD1 3.47Å; E86-D88 PolarHBondContact O-N 3.39Å; E86-D88 VanDerWaalsContact O-N 3.1Å; E86-Y89 PolarHBondContact O-N 3.2Å; E86-F90 PolarHBondContact N-O 3.34Å; E86-F90 VanDerWaalsContact N-O 3.08Å; E86-Y92 HydrophobicContact CB-CD2 4.25Å; E86-Y92 HydrophobicContact CB-CE2 4.08Å; E86-Y92 HydrophobicContact CG-CD2 3.66Å; E86-Y92 HydrophobicContact CG-CE2 3.93Å
87E88.4Confident91.2Very high187 Ų18756.8 Ų56.887%0.87427%0.267SS*.THydrogen-bonded Turntrans-60.5-20.7-179.3-64.7-174.4172.300113.6Y89E87-Y89 PolarHBondContact O-N 2.92Å
88D88.6Confident90.9Very high65 Ų6560.4 Ų60.435%0.34828%0.284SS..THydrogen-bonded Turntrans-833177.668-1.4000113.9E86 F90 Y92E86-D88 WeakPolarHBondContact CB-OD1 3.47Å; E86-D88 PolarHBondContact O-N 3.39Å; E86-D88 VanDerWaalsContact O-N 3.1Å; D88-F90 VanDerWaalsContact C-N 3.28Å; D88-F90 HydrophobicContact CB-CD2 4.09Å; D88-F90 VanDerWaalsContact O-CD2 3.22Å; D88-F90 WeakPolarHBondContact O-CD2 3.37Å; D88-F90 WeakPolarHBondContact O-CE2 3.46Å; D88-F90 PolarHBondContact O-N 3.34Å; D88-F90 WeakPolarHBondContact OD1-CB 3.3Å; D88-F90 PolarHBondContact OD1-N 3.13Å; D88-Y92 WeakPolarHBondContact OD2-CE2 3.5Å; D88-Y92 PolarHBondContact OD2-OH 2.86Å
89Y88.2Confident90.3Very high158 Ų15865 Ų6562%0.6231%0.307SS*.SBendtrans64.227.5-177.3-51.9-77.3000114.2Y81 E86 E87Y81-Y89 PolarHBondContact OH-O 3.43Å; E86-Y89 PolarHBondContact O-N 3.2Å; E87-Y89 PolarHBondContact O-N 2.92Å
90F92.3Very high89.5Confident36 Ų3666 Ų6616%0.15831%0.311CS..  trans-110.4148.4169.3-67.2-85.3000111.7Q16 I18 E86 D88 Y92Q16-F90 HydrophobicContact CB-CD1 3.46Å; Q16-F90 VanDerWaalsContact CB-CD1 3.46Å; Q16-F90 HydrophobicContact CB-CE1 3.55Å; Q16-F90 HydrophobicContact CB-CG 4.41Å; Q16-F90 HydrophobicContact CG-CE1 4.17Å; Q16-F90 VanDerWaalsContact OE1-CE1 3.29Å; I18-F90 HydrophobicContact CD1-CB 3.96Å; I18-F90 HydrophobicContact CD1-CD1 3.69Å; I18-F90 HydrophobicContact CD1-CD2 4.33Å; I18-F90 HydrophobicContact CD1-CE1 4.28Å; I18-F90 HydrophobicContact CD1-CG 3.73Å; I18-F90 HydrophobicContact CG1-CB 4.14Å; I18-F90 HydrophobicContact CG1-CD1 3.66Å; I18-F90 HydrophobicContact CG1-CE1 4.38Å; I18-F90 HydrophobicContact CG1-CG 4.07Å; E86-F90 PolarHBondContact N-O 3.34Å; E86-F90 VanDerWaalsContact N-O 3.08Å; D88-F90 VanDerWaalsContact C-N 3.28Å; D88-F90 HydrophobicContact CB-CD2 4.09Å; D88-F90 VanDerWaalsContact O-CD2 3.22Å; D88-F90 WeakPolarHBondContact O-CD2 3.37Å; D88-F90 WeakPolarHBondContact O-CE2 3.46Å; D88-F90 PolarHBondContact O-N 3.34Å; D88-F90 WeakPolarHBondContact OD1-CB 3.3Å; D88-F90 PolarHBondContact OD1-N 3.13Å; F90-Y92 HydrophobicContact CB-CD2 4.38Å; F90-Y92 HydrophobicContact CB-CE2 3.84Å
91L92.8Very high87.8Confident0 Ų070.7 Ų70.70%033%0.329CS..EExtended strand (participates in β ladder)trans-98119.1165.3-179.767.1000109I15 Q16 V17 I18 V66 M77 L80 Y81 H84 I93I15-L91 HydrophobicContact CD1-CD2 4.3Å; Q16-L91 PolarHBondContact O-N 3.47Å; V17-L91 CarbonylContact C-O 3.6Å; V17-L91 WeakPolarHBondContact CA-O 3.47Å; V17-L91 HydrophobicContact CG2-CB 4.4Å; V17-L91 HydrophobicContact CG2-CD2 4.38Å; I18-L91 PolarHBondContact N-O 3.43Å; V66-L91 HydrophobicContact CG1-CD1 3.65Å; M77-L91 HydrophobicContact CE-CD2 4.15Å; L80-L91 HydrophobicContact CB-CD2 4.07Å; Y81-L91 HydrophobicContact CD2-CB 3.97Å; H84-L91 HydrophobicContact CB-CD1 4.01Å; L91-I93 HydrophobicContact CD2-CD1 4.08Å; L91-I93 HydrophobicContact CD2-CG1 4.38Å; L91-I93 HydrophobicContact CG-CD1 4.41Å; L91-I93 HydrophobicContact CG-CG1 4.17Å
92Y93.6Very high86.2Confident75 Ų7571.2 Ų71.229%0.29435%0.348SS..EExtended strand (participates in β ladder)trans-91.7126.5178.3-70.7-93.2000110.9I18 E86 D88 F90I18-Y92 HydrophobicContact CB-CD1 4.06Å; I18-Y92 HydrophobicContact CB-CE1 4.16Å; I18-Y92 HydrophobicContact CD1-CE1 3.76Å; I18-Y92 HydrophobicContact CG1-CE1 4.47Å; I18-Y92 HydrophobicContact CG2-CD1 4.18Å; I18-Y92 HydrophobicContact CG2-CE1 4.19Å; E86-Y92 HydrophobicContact CB-CD2 4.25Å; E86-Y92 HydrophobicContact CB-CE2 4.08Å; E86-Y92 HydrophobicContact CG-CD2 3.66Å; E86-Y92 HydrophobicContact CG-CE2 3.93Å; D88-Y92 WeakPolarHBondContact OD2-CE2 3.5Å; D88-Y92 PolarHBondContact OD2-OH 2.86Å; F90-Y92 HydrophobicContact CB-CD2 4.38Å; F90-Y92 HydrophobicContact CB-CE2 3.84Å
93I93.5Very high84.4Confident2 Ų267.5 Ų67.51%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-127.5116.7178.4-50.4-167000108.5V17 I18 V19 E20 F46 F64 F65 V66 M77 L91V17-I93 HydrophobicContact CG1-CD1 3.52Å; V17-I93 HydrophobicContact CG1-CG1 3.75Å; I18-I93 PolarHBondContact O-N 3.05Å; V19-I93 CarbonylContact C-O 3.56Å; V19-I93 VanDerWaalsContact CA-O 3.3Å; V19-I93 WeakPolarHBondContact CA-O 3.34Å; V19-I93 HydrophobicContact CG2-CB 4.44Å; E20-I93 PolarHBondContact N-O 3.08Å; F46-I93 HydrophobicContact CD1-CD1 4.43Å; F46-I93 HydrophobicContact CE1-CD1 3.98Å; F64-I93 HydrophobicContact CB-CG2 3.8Å; F64-I93 HydrophobicContact CD1-CG2 4.12Å; F64-I93 HydrophobicContact CD2-CG2 4.37Å; F64-I93 HydrophobicContact CG-CG2 3.86Å; F65-I93 WeakPolarHBondContact O-CA 3.42Å; V66-I93 HydrophobicContact CG2-CB 4.34Å; V66-I93 HydrophobicContact CG2-CD1 4.13Å; V66-I93 HydrophobicContact CG2-CG1 3.8Å; V66-I93 HydrophobicContact CG2-CG2 4.15Å; M77-I93 HydrophobicContact CE-CD1 3.8Å; L91-I93 HydrophobicContact CD2-CD1 4.08Å; L91-I93 HydrophobicContact CD2-CG1 4.38Å; L91-I93 HydrophobicContact CG-CD1 4.41Å; L91-I93 HydrophobicContact CG-CG1 4.17Å
94A92.6Very high82.6Confident7 Ų761 Ų616%0.05830%0.302CS..EExtended strand (participates in β ladder)trans-89.2140.7168.500000109.7E20 F64 F65 A104 I106E20-A94 CarbonylContact O-C 3.55Å; E20-A94 VanDerWaalsContact O-CA 3.28Å; E20-A94 WeakPolarHBondContact O-CA 3.48Å; F64-A94 CarbonylContact C-O 3.55Å; F64-A94 WeakPolarHBondContact CA-O 3.35Å; F65-A94 HydrophobicContact CB-CB 4.29Å; F65-A94 PolarHBondContact N-O 3.23Å; F65-A94 PolarHBondContact O-N 3.42Å; A94-A104 HydrophobicContact CB-CB 4.21Å; A94-I106 HydrophobicContact CB-CD1 3.86Å; A94-I106 HydrophobicContact CB-CG1 4.26Å
95Y92.9Very high80.8Confident2 Ų264.4 Ų64.41%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-119.7144.8172.674.8-86.8000112.9V19 E20 K21 A22 I27 G28 L30 I54 L62 F63V19-Y95 HydrophobicContact CG1-CD1 3.69Å; V19-Y95 HydrophobicContact CG1-CE1 4.21Å; E20-Y95 WeakPolarHBondContact O-CD1 3.46Å; E20-Y95 PolarHBondContact O-N 2.83Å; K21-Y95 HydrophobicContact CB-CD1 4.49Å; K21-Y95 HydrophobicContact CB-CE1 3.74Å; K21-Y95 HydrophobicContact CB-CE2 4.18Å; K21-Y95 HydrophobicContact CD-CE2 4.39Å; K21-Y95 HydrophobicContact CG-CE1 4.36Å; K21-Y95 HydrophobicContact CG-CE2 3.91Å; A22-Y95 WeakPolarHBondContact CB-O 3.49Å; A22-Y95 PolarHBondContact N-O 2.81Å; I27-Y95 HydrophobicContact CD1-CD2 4.47Å; I27-Y95 HydrophobicContact CG2-CD2 3.82Å; I27-Y95 HydrophobicContact CG2-CE2 3.43Å; I27-Y95 VanDerWaalsContact CG2-CE2 3.43Å; G28-Y95 PolarHBondContact O-OH 3.4Å; L30-Y95 HydrophobicContact CD1-CD1 4.25Å; L30-Y95 HydrophobicContact CD1-CE1 3.62Å; L30-Y95 HydrophobicContact CG-CE1 4.05Å; L30-Y95 PolarHBondContact N-OH 3.08Å; I54-Y95 HydrophobicContact CG2-CE2 4.47Å; L62-Y95 HydrophobicContact CD1-CD2 3.73Å; L62-Y95 HydrophobicContact CD1-CG 4.26Å; F63-Y95 CarbonylContact O-C 3.59Å; F63-Y95 VanDerWaalsContact O-CA 3.22Å; F63-Y95 WeakPolarHBondContact O-CA 3.46Å
96S91.7Very high79.3Confident3 Ų363.9 Ų63.92%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-147.7157-178.3-168.70000111.5F63 E98F63-S96 PolarHBondContact N-O 3.42Å; F63-S96 PolarHBondContact O-N 3.01Å; S96-E98 VanDerWaalsContact C-N 3.31Å; S96-E98 WeakPolarHBondContact CB-O 3.3Å; S96-E98 PolarHBondContact OG-N 2.83Å; S96-E98 PolarHBondContact OG-O 2.76Å
97D90.3Very high77.2Confident49 Ų4970.3 Ų70.326%0.26235%0.352SS..SBendtrans-81.5-11.7167.854.7-43.9000112.9A25 R26 I27A25-D97 WeakPolarHBondContact CA-OD1 3.41Å; A25-D97 VanDerWaalsContact CB-OD1 3.32Å; A25-D97 WeakPolarHBondContact CB-OD1 3.48Å; R26-D97 PolarHBondContact N-OD1 2.89Å; I27-D97 HydrophobicContact CB-CB 4.48Å
98E86.8Confident76.7Confident78 Ų7864.5 Ų64.536%0.36433%0.326SS..SBendtrans-110.2145.5175.9-62.9-175.817600112F63 S96 V100F63-E98 VanDerWaalsContact CD2-C 3.47Å; S96-E98 VanDerWaalsContact C-N 3.31Å; S96-E98 WeakPolarHBondContact CB-O 3.3Å; S96-E98 PolarHBondContact OG-N 2.83Å; S96-E98 PolarHBondContact OG-O 2.76Å; E98-V100 PolarHBondContact O-N 3.18Å
99N81.8Confident76.1Confident103 Ų10364.4 Ų64.455%0.55133%0.325SS*.  trans-8310.1174.569.5-7.2000113.4F63 Y101F63-N99 HydrophobicContact CD1-CB 4.11Å; F63-N99 HydrophobicContact CD2-CB 4.12Å; F63-N99 HydrophobicContact CE1-CB 3.98Å; F63-N99 HydrophobicContact CE2-CB 3.99Å; F63-N99 HydrophobicContact CG-CB 4.17Å; F63-N99 HydrophobicContact CZ-CB 3.93Å; N99-Y101 PolarHBondContact O-N 2.7Å
100V74.7Confident75.4Confident69 Ų6959.2 Ų59.242%0.41831%0.309SS..  trans-84102.5-174.8-1760000110.5E98 G102 M103E98-V100 PolarHBondContact O-N 3.18Å; V100-G102 PolarHBondContact O-N 3.31Å; V100-G102 VanDerWaalsContact O-N 3.11Å; V100-M103 HydrophobicContact CG1-CG 4.38Å; V100-M103 PolarHBondContact O-N 3.14Å; V100-M103 VanDerWaalsContact O-N 3.16Å
101Y57.7Low74.4Confident105 Ų10560.6 Ų60.641%0.41232%0.318SS..G310 helixtrans-49-36.4-178.9171.3-126.5000115F65 N68 N99 M103 A104F65-Y101 HydrophobicContact CD1-CD2 4.44Å; N68-Y101 HydrophobicContact CB-CD2 3.94Å; N68-Y101 HydrophobicContact CB-CE1 4.36Å; N68-Y101 HydrophobicContact CB-CE2 2.94Å; N68-Y101 WeakPolarHBondContact CB-OH 3.43Å; N68-Y101 PolarHBondContact ND2-OH 3.45Å; N68-Y101 WeakPolarHBondContact O-CD2 3.45Å; N68-Y101 WeakPolarHBondContact O-CE2 3.23Å; N68-Y101 VanDerWaalsContact OD1-CE2 3.27Å; N68-Y101 WeakPolarHBondContact OD1-CE2 3.3Å; N99-Y101 PolarHBondContact O-N 2.7Å; Y101-M103 VanDerWaalsContact C-N 3.26Å; Y101-M103 PolarHBondContact O-N 2.86Å; Y101-A104 PolarHBondContact O-N 2.69Å
102G57.8Low73.3Confident57 Ų5764.4 Ų64.459%0.58834%0.337SS*.G310 helixtrans-70.8-10.2-177.500000116.3V100V100-G102 PolarHBondContact O-N 3.31Å; V100-G102 VanDerWaalsContact O-N 3.11Å
103M53Low71.9Confident61 Ų6163.7 Ų63.730%0.334%0.34SS..G310 helixtrans-98.4-11.3-178.7-62.9-150.1-169.500114.1P23 K24 V100 Y101P23-M103 WeakPolarHBondContact CD-O 3.27Å; K24-M103 HydrophobicContact CB-CB 4.29Å; K24-M103 HydrophobicContact CB-SD 3.84Å; K24-M103 HydrophobicContact CD-CB 4.03Å; K24-M103 HydrophobicContact CD-CE 4.48Å; K24-M103 HydrophobicContact CD-CG 3.81Å; K24-M103 HydrophobicContact CD-SD 3.37Å; K24-M103 WeakPolarHBondContact CD-SD 3.41Å; K24-M103 HydrophobicContact CG-SD 4.25Å; V100-M103 HydrophobicContact CG1-CG 4.38Å; V100-M103 PolarHBondContact O-N 3.14Å; V100-M103 VanDerWaalsContact O-N 3.16Å; Y101-M103 VanDerWaalsContact C-N 3.26Å; Y101-M103 PolarHBondContact O-N 2.86Å
104A52.6Low70.4Confident5 Ų568.1 Ų68.14%0.04136%0.364CS..  trans-91.67.4-173.100000114.5A22 F65 A94 Y101 I106A22-A104 HydrophobicContact CB-CB 4.18Å; F65-A104 HydrophobicContact CB-CB 4.34Å; F65-A104 HydrophobicContact CD2-CB 3.85Å; F65-A104 HydrophobicContact CE2-CB 4.3Å; F65-A104 HydrophobicContact CG-CB 4Å; A94-A104 HydrophobicContact CB-CB 4.21Å; Y101-A104 PolarHBondContact O-N 2.69Å; A104-I106 PolarHBondContact O-N 2.84Å
105K51.8Low68.6Low129 Ų12972.8 Ų72.856%0.56139%0.387SS*.  trans-62.8112.3174.9-72.9-161.9175.6-170.90109.9P23 N107P23-K105 WeakPolarHBondContact CG-O 3.29Å; K105-N107 PolarHBondContact O-N 3.32Å
106I55.4Low66.6Low69 Ų6978.7 Ų78.735%0.35442%0.419SS..  trans-80.1106.5162.8-57.5167.8000104.3E20 A94 A104E20-I106 HydrophobicContact CB-CD1 3.77Å; E20-I106 HydrophobicContact CG-CD1 4.3Å; E20-I106 WeakPolarHBondContact OE2-CG2 3.23Å; A94-I106 HydrophobicContact CB-CD1 3.86Å; A94-I106 HydrophobicContact CB-CG1 4.26Å; A104-I106 PolarHBondContact O-N 2.84Å
107N46.2Very low64.3Low216 Ų21685.5 Ų85.5100%1.15546%0.455SS*.  trans-72.20175-85.4-11.3000110.8K105K105-N107 PolarHBondContact O-N 3.32Å

Retrieved 107 of 107 residues in 55 ms (Link to these results)

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